X5DNV7_HUMAN Loading...

Neuronal PAS domain-containing protein 3

May play a broad role in neurogenesis. May control regulatory pathways relevant to schizophrenia and to psychotic illness.

AlphaFold DB , UniProt , Accession X5DNV7, Species HUMAN (Homo sapiens, Human), Gene NPAS3, Length 901 aa.

						>X5DNV7_HUMAN|X5DNV7|NPAS3
MAPTKPSFQQDPSRRERLQALRKEKSRDAARSRRGKENFEFYELAKLLPLPAAITSQLDKASIIRLTISYLKMRDFANQGDPPWNLRMEGPPPNTSVKGAQRRRSPSALAIEVFEAHLGSHILQSLDGFVFALNQEGKFLYISETVSIYLGLSQVELTGSSVFDYVHPGDHVEMAEQLGMKLPPGRGLLSQGTAEDGASSASSSSQSETPEPVESTSPSLLTTDNTLERSFFIRMKSTLTKRGVHIKSSGYKVIHITGRLRLRVSLSHGRTVPSQIMGLVVVAHALPPPTINEVRIDCHMFVTRVNMDLNIIYCENRISDYMDLTPVDIVGKRCYHFIHAEDVEGIRHSHLDLLNKGQCVTKYYRWMQKNGGYIWIQSSATIAINAKNANEKNIIWVNYLLSNPEYKDTPMDIAQLPHLPEKTSESSETSDSESDSKDTSGITEDNENSKSDEKGNQSENSEDPEPDRKKSGNACDNDMNCNDDGHSSSNPDSRDSDDSFEHSDFENPKAGEDGFGALGPMQIKVERYVESESDLRLQNCESLTSDSAKDSDSAGEAGAQASSKHQKRKKRRKRQKGGSASRRRLSSASSPGGLDAGLVEPPRLLSSPNSASVLKIKTEISEPINFDNDSSIWNYPPNREISRNESPYSMTKPPSSEHFPSPQGGGGGGGGGGGLHVAIPDSVLTPPGADGAAARKTQFGASATAALAPVASDPLSPPLSASPRDKHPGNGGGGGGGGGGAGGGGPSASNSLLYTGDLEALQRLQAGNVVLPLVHRVTGTLAATSTAAQRVYTTGTIRYAPAEVTLAMQSNLLPNAHAVNFVDVNSPGFGLDPKTPMEMLYHHVHRLNMSGPFGGAVSAASLTQMPAGNVFTTAEGLFSTLPFPVYSNGIHAAQTLERKED
					

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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	41.2	Very low	51.4	Low	249 Å²	249	143.7 Å²	143.7	100%	1.227	78%	0.78	S	S	*	*				0	140.6	0	-69.6	169.9	170.6	0	0	108.5
2	A	42.9	Very low	52.3	Low	89 Å²	89	138.8 Å²	138.8	74%	0.736	76%	0.76	S	S	*	*			trans	-106.5	138	173.2	0	0	0	0	0	109.9	T4	A2-T4 PolarHBondContact O-N 3.46Å
3	P	56.3	Low	53.7	Low	129 Å²	129	133 Å²	133	84%	0.838	74%	0.736	S	S	*	*			trans	-69.3	118.4	179.8	27.5	-33.3	0	0	0	110.5	K5	P3-K5 PolarHBondContact O-N 2.83Å
4	T	51.6	Low	55.2	Low	135 Å²	135	136.1 Å²	136.1	83%	0.828	73%	0.731	S	S	*	*			trans	-64.7	115.3	175.3	47.3	0	0	0	0	110.1	A2	A2-T4 PolarHBondContact O-N 3.46Å
5	K	52.3	Low	56.6	Low	196 Å²	196	136 Å²	136	85%	0.852	72%	0.716	S	S	*	*			trans	-53	128.1	171.4	-71.1	-176.5	177.6	-179.7	0	109.3	P3 S7	P3-K5 PolarHBondContact O-N 2.83Å; K5-S7 PolarHBondContact O-N 3.28Å; K5-S7 VanDerWaalsContact O-N 3.14Å
6	P	50.2	Low	57.9	Low	111 Å²	111	134.7 Å²	134.7	72%	0.721	71%	0.705	S	S	*	*			trans	-62.2	120.9	176.5	25.9	-33.4	0	0	0	108.9	F8	P6-F8 PolarHBondContact O-N 3.18Å; P6-F8 VanDerWaalsContact O-N 3.09Å
7	S	49.5	Very low	59.3	Low	100 Å²	100	138.1 Å²	138.1	70%	0.699	71%	0.706	S	S	*	*			trans	-68.3	110.2	175.8	61.2	0	0	0	0	108.5	K5 Q9	K5-S7 PolarHBondContact O-N 3.28Å; K5-S7 VanDerWaalsContact O-N 3.14Å; S7-Q9 PolarHBondContact O-N 3.41Å
8	F	52.5	Low	60.7	Low	190 Å²	190	134.8 Å²	134.8	83%	0.833	69%	0.69	S	S	*	*			trans	-59.9	89.4	167.3	-91.1	-90	0	0	0	109.6	P6 Q10	P6-F8 PolarHBondContact O-N 3.18Å; P6-F8 VanDerWaalsContact O-N 3.09Å; F8-Q10 PolarHBondContact O-N 2.96Å; F8-Q10 VanDerWaalsContact O-N 3.09Å
9	Q	51.3	Low	61.9	Low	162 Å²	162	133.1 Å²	133.1	76%	0.757	68%	0.679	S	S	*	*			trans	-63	108.4	155.2	-68.3	-174	11.7	0	0	105.5	S7 D11	S7-Q9 PolarHBondContact O-N 3.41Å; Q9-D11 PolarHBondContact O-N 3.34Å
10	Q	57.8	Low	63.1	Low	133 Å²	133	129.1 Å²	129.1	62%	0.621	67%	0.667	S	S	*	*			trans	-62.2	107.6	168	-75.6	-174.3	-6	0	0	107	F8 P12	F8-Q10 PolarHBondContact O-N 2.96Å; F8-Q10 VanDerWaalsContact O-N 3.09Å; Q10-P12 WeakPolarHBondContact O-CD 3.26Å
11	D	59.4	Low	64.3	Low	87 Å²	87	126.8 Å²	126.8	47%	0.465	66%	0.655	S	S	.	*			trans	-50	120	177.3	-172.3	-29.9	0	0	0	109.6	Q9 S13 R14 R15	Q9-D11 PolarHBondContact O-N 3.34Å; D11-S13 PolarHBondContact O-N 3.48Å; D11-S13 WeakPolarHBondContact OD1-CB 3.48Å; D11-S13 PolarHBondContact OD1-N 3.45Å; D11-S13 PolarHBondContact OD1-OG 2.95Å; D11-S13 PolarHBondContact OD2-OG 3.31Å; D11-R14 HydrophobicContact CB-CB 4.01Å; D11-R14 PolarHBondContact O-N 3.21Å; D11-R15 PolarHBondContact O-N 3.19Å; D11-R15 VanDerWaalsContact O-N 3.09Å
12	P	61.9	Low	66.6	Low	84 Å²	84	122.7 Å²	122.7	55%	0.545	63%	0.626	S	S	.	*	H	α-helix	trans	-53.2	-41.9	179.3	-26.7	35.2	0	0	0	111.9	Q10 R14 R15 E16	Q10-P12 WeakPolarHBondContact O-CD 3.26Å; P12-R14 VanDerWaalsContact C-N 3.3Å; P12-R14 PolarHBondContact O-N 3.33Å; P12-R15 CarbonylContact O-C 3.52Å; P12-R15 WeakPolarHBondContact O-CA 3.2Å; P12-R15 WeakPolarHBondContact O-CB 3.45Å; P12-R15 PolarHBondContact O-N 3.02Å; P12-E16 WeakPolarHBondContact O-CB 3.38Å; P12-E16 WeakPolarHBondContact O-CG 3.47Å; P12-E16 PolarHBondContact O-N 3.49Å
13	S	71	Confident	68.9	Low	64 Å²	64	126.3 Å²	126.3	45%	0.448	63%	0.625	S	S	.	*	H	α-helix	trans	-62.3	-36.6	179.7	72.8	0	0	0	0	112.1	D11 R17	D11-S13 PolarHBondContact O-N 3.48Å; D11-S13 WeakPolarHBondContact OD1-CB 3.48Å; D11-S13 PolarHBondContact OD1-N 3.45Å; D11-S13 PolarHBondContact OD1-OG 2.95Å; D11-S13 PolarHBondContact OD2-OG 3.31Å; S13-R17 WeakPolarHBondContact O-CB 3.47Å; S13-R17 PolarHBondContact O-N 2.96Å
14	R	75.3	Confident	70.6	Confident	177 Å²	177	124 Å²	124	67%	0.668	60%	0.603	S	S	*	*	H	α-helix	trans	-69.9	-36.2	174.8	-172.3	176.7	178.9	-178.1	1	111.5	D11 P12 L18	D11-R14 HydrophobicContact CB-CB 4.01Å; D11-R14 PolarHBondContact O-N 3.21Å; P12-R14 VanDerWaalsContact C-N 3.3Å; P12-R14 PolarHBondContact O-N 3.33Å; R14-L18 HydrophobicContact CG-CD1 4.24Å; R14-L18 WeakPolarHBondContact O-CB 3.24Å; R14-L18 WeakPolarHBondContact O-CD1 3.45Å; R14-L18 WeakPolarHBondContact O-CG 3.4Å; R14-L18 PolarHBondContact O-N 2.89Å; R14-L18 VanDerWaalsContact O-N 3.07Å
15	R	74.9	Confident	72.6	Confident	134 Å²	134	125.1 Å²	125.1	51%	0.506	60%	0.597	S	S	.	*	H	α-helix	trans	-67.8	-45.3	175.1	-176.3	-176.8	-71.5	-174.8	-3.4	111.1	D11 P12 L18 Q19	D11-R15 PolarHBondContact O-N 3.19Å; D11-R15 VanDerWaalsContact O-N 3.09Å; P12-R15 CarbonylContact O-C 3.52Å; P12-R15 WeakPolarHBondContact O-CA 3.2Å; P12-R15 WeakPolarHBondContact O-CB 3.45Å; P12-R15 PolarHBondContact O-N 3.02Å; R15-L18 CarbonylContact O-C 3.43Å; R15-L18 PolarHBondContact O-N 3.08Å; R15-Q19 WeakPolarHBondContact O-CG 3.42Å; R15-Q19 PolarHBondContact O-N 3.44Å
16	E	77.9	Confident	74.6	Confident	115 Å²	115	119.8 Å²	119.8	54%	0.537	58%	0.584	S	S	.	*	H	α-helix	trans	-62.5	-47.1	177	-72.7	152.2	-161.5	0	0	111	P12 L18 Q19 A20	P12-E16 WeakPolarHBondContact O-CB 3.38Å; P12-E16 WeakPolarHBondContact O-CG 3.47Å; P12-E16 PolarHBondContact O-N 3.49Å; E16-L18 VanDerWaalsContact C-N 3.3Å; E16-L18 PolarHBondContact O-N 2.88Å; E16-Q19 CarbonylContact O-C 3.59Å; E16-Q19 WeakPolarHBondContact O-CA 3.4Å; E16-Q19 WeakPolarHBondContact O-CB 3.34Å; E16-Q19 PolarHBondContact O-N 3Å; E16-A20 PolarHBondContact O-N 3.29Å
17	R	82.2	Confident	76.7	Confident	193 Å²	193	120.6 Å²	120.6	73%	0.728	57%	0.572	S	S	*	*	H	α-helix	trans	-60.3	-37.6	174.7	-160.4	175.2	-162.4	179.9	5.9	112.3	S13 Q19 L21	S13-R17 WeakPolarHBondContact O-CB 3.47Å; S13-R17 PolarHBondContact O-N 2.96Å; R17-Q19 VanDerWaalsContact C-N 3.34Å; R17-L21 WeakPolarHBondContact O-CB 3.42Å; R17-L21 VanDerWaalsContact O-CG 3.3Å; R17-L21 WeakPolarHBondContact O-CG 3.34Å; R17-L21 PolarHBondContact O-N 3.36Å
18	L	84.5	Confident	78.9	Confident	79 Å²	79	118.9 Å²	118.9	41%	0.414	56%	0.555	S	S	.	*	H	α-helix	trans	-74.1	-18.7	172.7	-73.1	170.6	0	0	0	113.8	R14 R15 E16 R22	R14-L18 HydrophobicContact CG-CD1 4.24Å; R14-L18 WeakPolarHBondContact O-CB 3.24Å; R14-L18 WeakPolarHBondContact O-CD1 3.45Å; R14-L18 WeakPolarHBondContact O-CG 3.4Å; R14-L18 PolarHBondContact O-N 2.89Å; R14-L18 VanDerWaalsContact O-N 3.07Å; R15-L18 CarbonylContact O-C 3.43Å; R15-L18 PolarHBondContact O-N 3.08Å; E16-L18 VanDerWaalsContact C-N 3.3Å; E16-L18 PolarHBondContact O-N 2.88Å; L18-R22 VanDerWaalsContact O-CG 3.27Å; L18-R22 WeakPolarHBondContact O-CG 3.37Å; L18-R22 PolarHBondContact O-NH1 3.22Å
19	Q	83.8	Confident	81	Confident	101 Å²	101	112.6 Å²	112.6	47%	0.472	54%	0.539	S	S	.	.	H	α-helix	trans	-82.7	-41.8	170.1	-76.5	173.5	-23	0	0	110.7	R15 E16 R17 R22 K23	R15-Q19 WeakPolarHBondContact O-CG 3.42Å; R15-Q19 PolarHBondContact O-N 3.44Å; E16-Q19 CarbonylContact O-C 3.59Å; E16-Q19 WeakPolarHBondContact O-CA 3.4Å; E16-Q19 WeakPolarHBondContact O-CB 3.34Å; E16-Q19 PolarHBondContact O-N 3Å; R17-Q19 VanDerWaalsContact C-N 3.34Å; Q19-R22 PolarHBondContact O-N 3.37Å; Q19-R22 VanDerWaalsContact O-N 3.15Å; Q19-K23 PolarHBondContact O-N 3.04Å
20	A	85.9	Confident	83.1	Confident	53 Å²	53	105.7 Å²	105.7	44%	0.438	51%	0.509	S	S	.	.	H	α-helix	trans	-55.7	-53.1	172.6	0	0	0	0	0	111.1	E16 R22 K23 E24	E16-A20 PolarHBondContact O-N 3.29Å; A20-R22 PolarHBondContact O-N 2.84Å; A20-R22 VanDerWaalsContact O-N 3.14Å; A20-K23 PolarHBondContact O-N 3.29Å; A20-E24 VanDerWaalsContact O-CB 3.27Å; A20-E24 WeakPolarHBondContact O-CB 3.49Å; A20-E24 PolarHBondContact O-N 3Å
21	L	88.1	Confident	85	Confident	81 Å²	81	107.6 Å²	107.6	42%	0.424	51%	0.511	S	S	.	.	H	α-helix	trans	-60.3	-25.2	177.2	-72.2	167.6	0	0	0	114.1	R17 K25	R17-L21 WeakPolarHBondContact O-CB 3.42Å; R17-L21 VanDerWaalsContact O-CG 3.3Å; R17-L21 WeakPolarHBondContact O-CG 3.34Å; R17-L21 PolarHBondContact O-N 3.36Å; L21-K25 WeakPolarHBondContact O-CB 3.44Å; L21-K25 WeakPolarHBondContact O-CG 3.41Å; L21-K25 PolarHBondContact O-N 2.75Å
22	R	88.7	Confident	86.8	Confident	164 Å²	164	106.8 Å²	106.8	62%	0.619	51%	0.512	S	S	*	.	H	α-helix	trans	-79.1	-43.9	172.3	-74.6	177.1	-171.7	113.6	-12.7	111.9	L18 Q19 A20 E24 S26	L18-R22 VanDerWaalsContact O-CG 3.27Å; L18-R22 WeakPolarHBondContact O-CG 3.37Å; L18-R22 PolarHBondContact O-NH1 3.22Å; Q19-R22 PolarHBondContact O-N 3.37Å; Q19-R22 VanDerWaalsContact O-N 3.15Å; A20-R22 PolarHBondContact O-N 2.84Å; A20-R22 VanDerWaalsContact O-N 3.14Å; R22-E24 VanDerWaalsContact C-N 3.3Å; R22-E24 PolarHBondContact O-N 3.25Å; R22-S26 VanDerWaalsContact O-CB 3.32Å; R22-S26 WeakPolarHBondContact O-CB 3.26Å; R22-S26 PolarHBondContact O-N 3.09Å
23	K	91.4	Very high	88.5	Confident	165 Å²	165	109.9 Å²	109.9	72%	0.717	51%	0.513	S	S	*	.	H	α-helix	trans	-61.1	-41.6	175.1	-73.6	-172.7	173.5	-170	0	111	Q19 A20 S26 R27	Q19-K23 PolarHBondContact O-N 3.04Å; A20-K23 PolarHBondContact O-N 3.29Å; K23-S26 PolarHBondContact O-N 3.41Å; K23-R27 VanDerWaalsContact O-CB 3.31Å; K23-R27 WeakPolarHBondContact O-CB 3.35Å; K23-R27 PolarHBondContact O-N 2.96Å
24	E	91.6	Very high	89.8	Confident	80 Å²	80	114 Å²	114	37%	0.374	52%	0.518	S	S	.	.	H	α-helix	trans	-60.3	-57.6	175.1	178.7	146.4	-101.3	0	0	112.1	A20 R22 S26 R27 D28	A20-E24 VanDerWaalsContact O-CB 3.27Å; A20-E24 WeakPolarHBondContact O-CB 3.49Å; A20-E24 PolarHBondContact O-N 3Å; R22-E24 VanDerWaalsContact C-N 3.3Å; R22-E24 PolarHBondContact O-N 3.25Å; E24-S26 PolarHBondContact O-N 2.81Å; E24-S26 VanDerWaalsContact O-N 3.17Å; E24-R27 WeakPolarHBondContact O-CB 3.45Å; E24-R27 PolarHBondContact O-N 2.87Å; E24-R27 IonicContact OE1-CZ 3.21Å; E24-R27 IonicContact OE1-NH2 2.67Å; E24-R27 PolarHBondContact OE1-NH2 3.08Å; E24-D28 PolarHBondContact O-N 3.47Å
25	K	93.3	Very high	90.8	Very high	159 Å²	159	107.6 Å²	107.6	69%	0.691	51%	0.507	S	S	*	.	H	α-helix	trans	-56.4	-35.8	175.2	-73.7	-176.6	177.7	-164.5	0	113.1	L21 A29	L21-K25 WeakPolarHBondContact O-CB 3.44Å; L21-K25 WeakPolarHBondContact O-CG 3.41Å; L21-K25 PolarHBondContact O-N 2.75Å; K25-A29 WeakPolarHBondContact O-CB 3.46Å; K25-A29 PolarHBondContact O-N 3.04Å
26	S	94.8	Very high	91.9	Very high	83 Å²	83	107.9 Å²	107.9	58%	0.58	51%	0.512	S	S	*	.	H	α-helix	trans	-68.7	-45.2	175.2	-170	0	0	0	0	112.4	R22 K23 E24 D28 A30	R22-S26 VanDerWaalsContact O-CB 3.32Å; R22-S26 WeakPolarHBondContact O-CB 3.26Å; R22-S26 PolarHBondContact O-N 3.09Å; K23-S26 PolarHBondContact O-N 3.41Å; E24-S26 PolarHBondContact O-N 2.81Å; E24-S26 VanDerWaalsContact O-N 3.17Å; S26-D28 VanDerWaalsContact C-N 3.35Å; S26-D28 PolarHBondContact O-N 2.75Å; S26-A30 WeakPolarHBondContact O-CB 3.37Å; S26-A30 PolarHBondContact O-N 2.71Å
27	R	94.8	Very high	92.8	Very high	128 Å²	128	106 Å²	106	48%	0.483	50%	0.503	S	S	.	.	H	α-helix	trans	-58.3	-46.6	175.2	177.6	-170.2	67.8	-158.2	-8.2	111.1	K23 E24 A30 R31	K23-R27 VanDerWaalsContact O-CB 3.31Å; K23-R27 WeakPolarHBondContact O-CB 3.35Å; K23-R27 PolarHBondContact O-N 2.96Å; E24-R27 WeakPolarHBondContact O-CB 3.45Å; E24-R27 PolarHBondContact O-N 2.87Å; E24-R27 IonicContact OE1-CZ 3.21Å; E24-R27 IonicContact OE1-NH2 2.67Å; E24-R27 PolarHBondContact OE1-NH2 3.08Å; R27-A30 PolarHBondContact O-N 3.43Å; R27-R31 WeakPolarHBondContact O-CB 3.15Å; R27-R31 PolarHBondContact O-N 2.93Å
28	D	95.6	Very high	93.6	Very high	64 Å²	64	99.9 Å²	99.9	34%	0.342	49%	0.485	S	S	.	.	H	α-helix	trans	-77.3	-36.2	-172.8	-55.8	-17.3	0	0	0	110.7	E24 S26 R31 S32	E24-D28 PolarHBondContact O-N 3.47Å; S26-D28 VanDerWaalsContact C-N 3.35Å; S26-D28 PolarHBondContact O-N 2.75Å; D28-R31 PolarHBondContact O-N 2.82Å; D28-S32 WeakPolarHBondContact O-CB 3.48Å; D28-S32 PolarHBondContact O-N 2.83Å
29	A	96.3	Very high	94.2	Very high	59 Å²	59	101.6 Å²	101.6	49%	0.488	49%	0.489	S	S	.	.	H	α-helix	trans	-64.7	-38	168	0	0	0	0	0	112.6	K25 R33	K25-A29 WeakPolarHBondContact O-CB 3.46Å; K25-A29 PolarHBondContact O-N 3.04Å; A29-R33 WeakPolarHBondContact O-CB 3.46Å; A29-R33 PolarHBondContact O-N 3.08Å
30	A	96.4	Very high	94.9	Very high	16 Å²	16	102.4 Å²	102.4	13%	0.132	49%	0.493	C	S	.	.	H	α-helix	trans	-69.2	-38.3	174.8	0	0	0	0	0	112.4	S26 R27 R33 R34	S26-A30 WeakPolarHBondContact O-CB 3.37Å; S26-A30 PolarHBondContact O-N 2.71Å; R27-A30 PolarHBondContact O-N 3.43Å; A30-R33 PolarHBondContact O-N 3.25Å; A30-R34 WeakPolarHBondContact O-CB 3.27Å; A30-R34 VanDerWaalsContact O-CG 3.31Å; A30-R34 WeakPolarHBondContact O-CG 3.28Å; A30-R34 PolarHBondContact O-N 2.71Å
31	R	96.5	Very high	95.4	Very high	174 Å²	174	101.8 Å²	101.8	66%	0.657	48%	0.481	S	S	*	.	H	α-helix	trans	-64.4	-45.2	172.5	-178.5	-178.2	-81.8	171.4	-8.8	110.9	R27 D28 R34 G35	R27-R31 WeakPolarHBondContact O-CB 3.15Å; R27-R31 PolarHBondContact O-N 2.93Å; D28-R31 PolarHBondContact O-N 2.82Å; R31-R34 PolarHBondContact O-N 2.7Å; R31-G35 PolarHBondContact O-N 3.37Å
32	S	97.6	Very high	95.8	Very high	69 Å²	69	104.7 Å²	104.7	48%	0.483	49%	0.487	S	S	.	.	H	α-helix	trans	-61.4	-43.8	175.4	-177	0	0	0	0	111.9	D28 G35 K36	D28-S32 WeakPolarHBondContact O-CB 3.48Å; D28-S32 PolarHBondContact O-N 2.83Å; S32-G35 PolarHBondContact O-N 3.44Å; S32-K36 PolarHBondContact O-N 3.08Å
33	R	97.8	Very high	96.3	Very high	149 Å²	149	99.8 Å²	99.8	56%	0.562	47%	0.471	S	S	*	.	H	α-helix	trans	-59.6	-50.4	174.5	-173.7	178.1	68.2	-108.8	4.9	111.8	A29 A30 G35 K36 E37	A29-R33 WeakPolarHBondContact O-CB 3.46Å; A29-R33 PolarHBondContact O-N 3.08Å; A30-R33 PolarHBondContact O-N 3.25Å; R33-G35 VanDerWaalsContact C-N 3.29Å; R33-G35 PolarHBondContact O-N 3.47Å; R33-K36 PolarHBondContact O-N 3.28Å; R33-E37 WeakPolarHBondContact O-CB 3.35Å; R33-E37 PolarHBondContact O-N 3.03Å
34	R	97.7	Very high	96.6	Very high	151 Å²	151	94.5 Å²	94.5	57%	0.57	45%	0.45	S	S	*	.	H	α-helix	trans	-60.7	-36.1	176.6	-72.7	171.4	-176.2	152.1	-3	112.6	A30 R31 N38	A30-R34 WeakPolarHBondContact O-CB 3.27Å; A30-R34 VanDerWaalsContact O-CG 3.31Å; A30-R34 WeakPolarHBondContact O-CG 3.28Å; A30-R34 PolarHBondContact O-N 2.71Å; R31-R34 PolarHBondContact O-N 2.7Å; R34-N38 VanDerWaalsContact O-CB 3.29Å; R34-N38 WeakPolarHBondContact O-CB 3.43Å; R34-N38 PolarHBondContact O-N 2.72Å; R34-N38 PolarHBondContact O-OD1 2.85Å
35	G	97.6	Very high	96.9	Very high	42 Å²	42	90.8 Å²	90.8	43%	0.433	43%	0.433	S	S	.	.	H	α-helix	trans	-63.8	-46.5	176	0	0	0	0	0	112.2	R31 S32 R33 F39	R31-G35 PolarHBondContact O-N 3.37Å; S32-G35 PolarHBondContact O-N 3.44Å; R33-G35 VanDerWaalsContact C-N 3.29Å; R33-G35 PolarHBondContact O-N 3.47Å; G35-F39 PolarHBondContact O-N 2.98Å; G35-F39 VanDerWaalsContact O-N 3.09Å
36	K	98	Very high	97.1	Very high	141 Å²	141	89.4 Å²	89.4	61%	0.613	43%	0.427	S	S	*	.	H	α-helix	trans	-64.3	-49.6	173.3	-68.4	-170.6	175.4	-161.7	0	111.8	S32 R33 N38 F39 E40	S32-K36 PolarHBondContact O-N 3.08Å; R33-K36 PolarHBondContact O-N 3.28Å; K36-N38 VanDerWaalsContact C-N 3.33Å; K36-N38 PolarHBondContact O-N 3.16Å; K36-F39 WeakPolarHBondContact O-CA 3.44Å; K36-F39 WeakPolarHBondContact O-CB 3.34Å; K36-F39 PolarHBondContact O-N 3.3Å; K36-E40 WeakPolarHBondContact O-CG 3.47Å; K36-E40 PolarHBondContact O-N 3.48Å
37	E	97.3	Very high	97.2	Very high	75 Å²	75	92 Å²	92	35%	0.35	43%	0.434	S	S	.	.	H	α-helix	trans	-51	-50.2	176	-176.5	-156.5	129.9	0	0	111.5	R33 F39 E40 F41 K60	R33-E37 WeakPolarHBondContact O-CB 3.35Å; R33-E37 PolarHBondContact O-N 3.03Å; E37-F39 VanDerWaalsContact C-N 3.34Å; E37-F39 PolarHBondContact O-N 3.41Å; E37-E40 PolarHBondContact O-N 3.33Å; E37-F41 HydrophobicContact CG-CD2 4.06Å; E37-F41 HydrophobicContact CG-CE2 3.87Å; E37-F41 WeakPolarHBondContact O-CD2 3.32Å; E37-F41 PolarHBondContact O-N 3.39Å; E37-K60 IonicContact OE1-NZ 2.85Å; E37-K60 PolarHBondContact OE1-NZ 2.94Å
38	N	97.2	Very high	97.3	Very high	65 Å²	65	86.5 Å²	86.5	35%	0.348	41%	0.414	S	S	.	.	H	α-helix	trans	-59.9	-40.8	175.3	-73.5	7.5	0	0	0	112.5	R34 K36 F41 Y42 K60	R34-N38 VanDerWaalsContact O-CB 3.29Å; R34-N38 WeakPolarHBondContact O-CB 3.43Å; R34-N38 PolarHBondContact O-N 2.72Å; R34-N38 PolarHBondContact O-OD1 2.85Å; K36-N38 VanDerWaalsContact C-N 3.33Å; K36-N38 PolarHBondContact O-N 3.16Å; N38-F41 WeakPolarHBondContact O-CB 3.3Å; N38-F41 PolarHBondContact O-N 2.87Å; N38-Y42 WeakPolarHBondContact O-CD2 3.48Å; N38-Y42 PolarHBondContact O-N 2.78Å; N38-K60 VanDerWaalsContact OD1-CE 3.3Å; N38-K60 WeakPolarHBondContact OD1-CE 3.39Å; N38-K60 PolarHBondContact OD1-NZ 2.87Å
39	F	97.6	Very high	97.3	Very high	114 Å²	114	87.7 Å²	87.7	50%	0.5	43%	0.426	S	S	.	.	H	α-helix	trans	-62.2	-48.5	176.5	175.2	-96.4	0	0	0	111.6	G35 K36 E37 F41 Y42 E43	G35-F39 PolarHBondContact O-N 2.98Å; G35-F39 VanDerWaalsContact O-N 3.09Å; K36-F39 WeakPolarHBondContact O-CA 3.44Å; K36-F39 WeakPolarHBondContact O-CB 3.34Å; K36-F39 PolarHBondContact O-N 3.3Å; E37-F39 VanDerWaalsContact C-N 3.34Å; E37-F39 PolarHBondContact O-N 3.41Å; F39-F41 VanDerWaalsContact C-N 3.26Å; F39-F41 PolarHBondContact O-N 2.73Å; F39-Y42 PolarHBondContact O-N 3.4Å; F39-Y42 VanDerWaalsContact O-N 3.08Å; F39-E43 HydrophobicContact CD1-CG 4.3Å; F39-E43 HydrophobicContact CD2-CG 4.47Å; F39-E43 HydrophobicContact CE1-CG 3.77Å; F39-E43 HydrophobicContact CE2-CG 3.97Å; F39-E43 HydrophobicContact CZ-CG 3.59Å; F39-E43 PolarHBondContact O-N 2.83Å
40	E	98.2	Very high	97.3	Very high	118 Å²	118	86.7 Å²	86.7	55%	0.551	41%	0.412	S	S	*	.	H	α-helix	trans	-59.9	-36.7	175.6	-52.6	-50.1	144.6	0	0	111.7	K36 E37 L44	K36-E40 WeakPolarHBondContact O-CG 3.47Å; K36-E40 PolarHBondContact O-N 3.48Å; E37-E40 PolarHBondContact O-N 3.33Å; E40-L44 WeakPolarHBondContact O-CB 3.46Å; E40-L44 PolarHBondContact O-N 2.72Å
41	F	98.1	Very high	97.3	Very high	41 Å²	41	90 Å²	90	18%	0.18	43%	0.432	C	S	.	.	H	α-helix	trans	-62	-43.5	173	-89.6	-71.2	0	0	0	112.6	E37 N38 F39 A45 K60 I63 I64	E37-F41 HydrophobicContact CG-CD2 4.06Å; E37-F41 HydrophobicContact CG-CE2 3.87Å; E37-F41 WeakPolarHBondContact O-CD2 3.32Å; E37-F41 PolarHBondContact O-N 3.39Å; N38-F41 WeakPolarHBondContact O-CB 3.3Å; N38-F41 PolarHBondContact O-N 2.87Å; F39-F41 VanDerWaalsContact C-N 3.26Å; F39-F41 PolarHBondContact O-N 2.73Å; F41-A45 WeakPolarHBondContact O-CB 3.49Å; F41-A45 PolarHBondContact O-N 2.81Å; F41-K60 HydrophobicContact CD1-CB 4.1Å; F41-K60 HydrophobicContact CD1-CD 4.45Å; F41-K60 HydrophobicContact CD1-CG 3.86Å; F41-K60 HydrophobicContact CD2-CD 3.76Å; F41-K60 VanDerWaalsContact CD2-CE 3.4Å; F41-K60 HydrophobicContact CD2-CG 4Å; F41-K60 HydrophobicContact CE1-CB 3.71Å; F41-K60 HydrophobicContact CE1-CD 4.28Å; F41-K60 HydrophobicContact CE1-CG 3.88Å; F41-K60 WeakPolarHBondContact CE1-O 3.47Å; F41-K60 HydrophobicContact CE2-CB 4.49Å; F41-K60 HydrophobicContact CE2-CD 3.59Å; F41-K60 HydrophobicContact CE2-CG 4.06Å; F41-K60 HydrophobicContact CG-CD 4.21Å; F41-K60 HydrophobicContact CG-CG 3.93Å; F41-K60 HydrophobicContact CZ-CB 3.94Å; F41-K60 HydrophobicContact CZ-CD 3.88Å; F41-K60 HydrophobicContact CZ-CG 4Å; F41-I63 HydrophobicContact CD1-CB 4.34Å; F41-I63 HydrophobicContact CD1-CD1 4.22Å; F41-I63 HydrophobicContact CD1-CG2 4.19Å; F41-I64 HydrophobicContact CE1-CD1 3.79Å; F41-I64 HydrophobicContact CE1-CG1 3.78Å; F41-I64 HydrophobicContact CZ-CD1 4.38Å; F41-I64 HydrophobicContact CZ-CG1 4.36Å
42	Y	96.1	Very high	97.2	Very high	141 Å²	141	85.3 Å²	85.3	55%	0.553	43%	0.43	S	S	*	.	H	α-helix	trans	-69.4	-39.9	178	-77.6	-62.4	0	0	0	112.6	N38 F39 A45 K46	N38-Y42 WeakPolarHBondContact O-CD2 3.48Å; N38-Y42 PolarHBondContact O-N 2.78Å; F39-Y42 PolarHBondContact O-N 3.4Å; F39-Y42 VanDerWaalsContact O-N 3.08Å; Y42-A45 PolarHBondContact O-N 2.99Å; Y42-K46 WeakPolarHBondContact O-CG 3.38Å; Y42-K46 PolarHBondContact O-N 3.48Å
43	E	97.8	Very high	97.1	Very high	62 Å²	62	85.4 Å²	85.4	29%	0.29	44%	0.435	S	S	.	.	H	α-helix	trans	-66.5	-41.5	174.1	-61.9	-46.6	119	0	0	111.3	F39 A45 K46 L47	F39-E43 HydrophobicContact CD1-CG 4.3Å; F39-E43 HydrophobicContact CD2-CG 4.47Å; F39-E43 HydrophobicContact CE1-CG 3.77Å; F39-E43 HydrophobicContact CE2-CG 3.97Å; F39-E43 HydrophobicContact CZ-CG 3.59Å; F39-E43 PolarHBondContact O-N 2.83Å; E43-A45 VanDerWaalsContact C-N 3.32Å; E43-A45 PolarHBondContact O-N 2.77Å; E43-K46 PolarHBondContact O-N 3.36Å; E43-K46 WeakPolarHBondContact OE1-CE 3.43Å; E43-K46 IonicContact OE1-NZ 3.6Å; E43-K46 PolarHBondContact OE1-NZ 2.91Å; E43-K46 IonicContact OE2-NZ 2.72Å; E43-K46 PolarHBondContact OE2-NZ 3.09Å; E43-K46 VanDerWaalsContact OE2-NZ 3.08Å; E43-L47 WeakPolarHBondContact O-CG 3.48Å; E43-L47 PolarHBondContact O-N 3.05Å
44	L	98.1	Very high	96.9	Very high	53 Å²	53	81.8 Å²	81.8	28%	0.277	43%	0.426	S	S	.	.	H	α-helix	trans	-61.8	-38.3	174.9	-177.8	59.5	0	0	0	112.3	E40 L47 I63 I64 T67	E40-L44 WeakPolarHBondContact O-CB 3.46Å; E40-L44 PolarHBondContact O-N 2.72Å; L44-L47 PolarHBondContact O-N 2.83Å; L44-I63 HydrophobicContact CB-CG2 4.27Å; L44-I63 HydrophobicContact CD2-CG2 3.9Å; L44-I63 HydrophobicContact CG-CG2 3.9Å; L44-I64 HydrophobicContact CD2-CD1 4.07Å; L44-T67 HydrophobicContact CD1-CG2 3.98Å; L44-T67 HydrophobicContact CD2-CG2 4.46Å
45	A	97.9	Very high	96.8	Very high	2 Å²	2	75 Å²	75	2%	0.017	40%	0.401	C	S	.	.	H	α-helix	trans	-62.7	-41.4	175.5	0	0	0	0	0	112.2	F41 Y42 E43 L47 L48 T55 I63	F41-A45 WeakPolarHBondContact O-CB 3.49Å; F41-A45 PolarHBondContact O-N 2.81Å; Y42-A45 PolarHBondContact O-N 2.99Å; E43-A45 VanDerWaalsContact C-N 3.32Å; E43-A45 PolarHBondContact O-N 2.77Å; A45-L47 PolarHBondContact O-N 2.67Å; A45-L48 WeakPolarHBondContact O-CB 3.5Å; A45-L48 PolarHBondContact O-N 3.15Å; A45-T55 VanDerWaalsContact O-CB 3.27Å; A45-T55 WeakPolarHBondContact O-CB 3.3Å; A45-T55 VanDerWaalsContact O-CG2 3.3Å; A45-T55 WeakPolarHBondContact O-CG2 3.32Å; A45-I63 HydrophobicContact CB-CD1 3.87Å; A45-I63 HydrophobicContact CB-CG1 3.99Å; A45-I63 HydrophobicContact CB-CG2 4.48Å
46	K	97.3	Very high	96.6	Very high	130 Å²	130	76.5 Å²	76.5	57%	0.565	41%	0.406	S	S	*	.	H	α-helix	trans	-63.3	-24.5	175.6	-66.4	171.4	-165.8	170.9	0	113.6	Y42 E43	Y42-K46 WeakPolarHBondContact O-CG 3.38Å; Y42-K46 PolarHBondContact O-N 3.48Å; E43-K46 PolarHBondContact O-N 3.36Å; E43-K46 WeakPolarHBondContact OE1-CE 3.43Å; E43-K46 IonicContact OE1-NZ 3.6Å; E43-K46 PolarHBondContact OE1-NZ 2.91Å; E43-K46 IonicContact OE2-NZ 2.72Å; E43-K46 PolarHBondContact OE2-NZ 3.09Å; E43-K46 VanDerWaalsContact OE2-NZ 3.08Å
47	L	97.4	Very high	96.5	Very high	139 Å²	139	77.6 Å²	77.6	73%	0.728	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-3.2	179.6	-65.7	172	0	0	0	113.5	E43 L44 A45	E43-L47 WeakPolarHBondContact O-CG 3.48Å; E43-L47 PolarHBondContact O-N 3.05Å; L44-L47 PolarHBondContact O-N 2.83Å; A45-L47 PolarHBondContact O-N 2.67Å
48	L	97.5	Very high	96.5	Very high	12 Å²	12	75.2 Å²	75.2	6%	0.063	40%	0.402	C	S	.	.	S	Bend	trans	-72.5	145.1	172.2	-66.5	173	0	0	0	110.7	A45 L50 T55 L58 L66	A45-L48 WeakPolarHBondContact O-CB 3.5Å; A45-L48 PolarHBondContact O-N 3.15Å; L48-L50 PolarHBondContact O-N 3.18Å; L48-T55 HydrophobicContact CB-CG2 4.13Å; L48-L58 HydrophobicContact CD1-CD1 3.58Å; L48-L66 HydrophobicContact CD1-CB 3.97Å; L48-L66 HydrophobicContact CD1-CD1 3.97Å; L48-L66 HydrophobicContact CD2-CB 3.94Å
49	P	95.9	Very high	96.5	Very high	89 Å²	89	76.1 Å²	76.1	58%	0.578	41%	0.407	S	S	*	.	S	Bend	trans	-78.3	58.6	179.8	35.8	-39.1	0	0	0	111.6	Y70	P49-Y70 HydrophobicContact CB-CE2 4.49Å; P49-Y70 HydrophobicContact CG-CD2 3.71Å; P49-Y70 HydrophobicContact CG-CE2 3.85Å; P49-Y70 HydrophobicContact CG-CG 4.39Å
50	L	95.6	Very high	96.4	Very high	38 Å²	38	74.4 Å²	74.4	20%	0.199	40%	0.4	C	S	.	.	S	Bend	trans	-139	150.7	-177.1	-69.3	174.5	0	0	0	110	L48 T55 L66 V155	L48-L50 PolarHBondContact O-N 3.18Å; L50-T55 HydrophobicContact CB-CG2 3.6Å; L50-L66 HydrophobicContact CD1-CD1 3.93Å; L50-V155 HydrophobicContact CD1-CG2 4.05Å
51	P	95.8	Very high	96.4	Very high	85 Å²	85	72 Å²	72	55%	0.552	40%	0.4	S	S	*	.			trans	-54	140.4	175.6	-27.3	34.6	0	0	0	113.4	A53 I54 T55	P51-A53 PolarHBondContact O-N 2.99Å; P51-A53 VanDerWaalsContact O-N 3.1Å; P51-I54 HydrophobicContact CB-CG1 4.5Å; P51-I54 HydrophobicContact CG-CD1 4.4Å; P51-I54 WeakPolarHBondContact O-CA 3.45Å; P51-I54 WeakPolarHBondContact O-CB 3.46Å; P51-I54 PolarHBondContact O-N 3.08Å; P51-T55 PolarHBondContact O-N 3.37Å; P51-T55 VanDerWaalsContact O-N 3.1Å
52	A	94.3	Very high	96.4	Very high	76 Å²	76	70.6 Å²	70.6	63%	0.628	40%	0.395	S	S	*	.	H	α-helix	trans	-57.3	-29.2	-178	0	0	0	0	0	114	I54 T55 S56	A52-I54 PolarHBondContact O-N 2.74Å; A52-T55 WeakPolarHBondContact CA-OG1 3.44Å; A52-S56 WeakPolarHBondContact O-CB 3.33Å; A52-S56 PolarHBondContact O-N 3.01Å; A52-S56 VanDerWaalsContact O-N 3.17Å; A52-S56 PolarHBondContact O-OG 3.15Å
53	A	95.3	Very high	96.5	Very high	70 Å²	70	64.2 Å²	64.2	58%	0.579	37%	0.37	S	S	*	.	H	α-helix	trans	-63.9	-26.4	174.3	0	0	0	0	0	113.3	P51 Q57	P51-A53 PolarHBondContact O-N 2.99Å; P51-A53 VanDerWaalsContact O-N 3.1Å; A53-Q57 PolarHBondContact O-NE2 3.06Å
54	I	95.1	Very high	96.5	Very high	73 Å²	73	64.6 Å²	64.6	37%	0.374	37%	0.374	S	S	.	.	H	α-helix	trans	-89.4	-50.4	175.6	-56.6	-177.6	0	0	0	109.8	P51 A52 S56 Q57 L58 V155	P51-I54 HydrophobicContact CB-CG1 4.5Å; P51-I54 HydrophobicContact CG-CD1 4.4Å; P51-I54 WeakPolarHBondContact O-CA 3.45Å; P51-I54 WeakPolarHBondContact O-CB 3.46Å; P51-I54 PolarHBondContact O-N 3.08Å; A52-I54 PolarHBondContact O-N 2.74Å; I54-S56 VanDerWaalsContact C-N 3.27Å; I54-S56 PolarHBondContact O-N 2.73Å; I54-Q57 PolarHBondContact O-N 3.26Å; I54-L58 HydrophobicContact CG2-CD2 4.43Å; I54-V155 HydrophobicContact CG2-CG2 3.93Å
55	T	95.3	Very high	96.5	Very high	8 Å²	8	65 Å²	65	5%	0.049	37%	0.371	C	S	.	.	H	α-helix	trans	-64.1	-30.2	-172.8	58.7	0	0	0	0	113.7	A45 L48 L50 P51 A52 Q57 L58	A45-T55 VanDerWaalsContact O-CB 3.27Å; A45-T55 WeakPolarHBondContact O-CB 3.3Å; A45-T55 VanDerWaalsContact O-CG2 3.3Å; A45-T55 WeakPolarHBondContact O-CG2 3.32Å; L48-T55 HydrophobicContact CB-CG2 4.13Å; L50-T55 HydrophobicContact CB-CG2 3.6Å; P51-T55 PolarHBondContact O-N 3.37Å; P51-T55 VanDerWaalsContact O-N 3.1Å; A52-T55 WeakPolarHBondContact CA-OG1 3.44Å; T55-Q57 PolarHBondContact O-N 3Å; T55-L58 HydrophobicContact CG2-CD1 4.38Å
56	S	93.9	Very high	96.6	Very high	75 Å²	75	65.4 Å²	65.4	52%	0.524	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-17.1	174.5	52.1	0	0	0	0	114.8	A52 I54	A52-S56 WeakPolarHBondContact O-CB 3.33Å; A52-S56 PolarHBondContact O-N 3.01Å; A52-S56 VanDerWaalsContact O-N 3.17Å; A52-S56 PolarHBondContact O-OG 3.15Å; I54-S56 VanDerWaalsContact C-N 3.27Å; I54-S56 PolarHBondContact O-N 2.73Å
57	Q	95	Very high	96.6	Very high	163 Å²	163	60.4 Å²	60.4	76%	0.762	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.4	0.2	-176.2	-58.4	-174.7	51.2	0	0	113.5	A53 I54 T55	A53-Q57 PolarHBondContact O-NE2 3.06Å; I54-Q57 PolarHBondContact O-N 3.26Å; T55-Q57 PolarHBondContact O-N 3Å
58	L	96.7	Very high	96.7	Very high	26 Å²	26	58.1 Å²	58.1	14%	0.136	34%	0.341	C	S	.	.			trans	-70.3	140.3	-176.8	-64.9	173.6	0	0	0	112.7	L48 I54 T55 I63 L66 V155	L48-L58 HydrophobicContact CD1-CD1 3.58Å; I54-L58 HydrophobicContact CG2-CD2 4.43Å; T55-L58 HydrophobicContact CG2-CD1 4.38Å; L58-I63 HydrophobicContact CB-CD1 4.2Å; L58-I63 HydrophobicContact CB-CG1 3.67Å; L58-I63 HydrophobicContact CD1-CG1 4.14Å; L58-L66 HydrophobicContact CD1-CD1 3.84Å; L58-L66 HydrophobicContact CD2-CD1 4.1Å; L58-V155 HydrophobicContact CD2-CG1 3.55Å; L58-V155 HydrophobicContact CD2-CG2 4.48Å
59	D	96.9	Very high	96.7	Very high	83 Å²	83	57.8 Å²	57.8	44%	0.444	34%	0.34	S	S	.	.			trans	-74.3	158.4	167	79.8	-88.4	0	0	0	111.8	A61 S62 I63	D59-A61 VanDerWaalsContact C-N 3.32Å; D59-A61 PolarHBondContact O-N 3.26Å; D59-A61 WeakPolarHBondContact OD2-CA 3.31Å; D59-A61 VanDerWaalsContact OD2-CB 3.29Å; D59-A61 WeakPolarHBondContact OD2-CB 3.48Å; D59-A61 PolarHBondContact OD2-N 3.45Å; D59-S62 PolarHBondContact O-N 3.07Å; D59-S62 WeakPolarHBondContact OD1-CB 3.18Å; D59-S62 PolarHBondContact OD1-OG 3.27Å; D59-S62 PolarHBondContact OD2-N 2.91Å; D59-I63 WeakPolarHBondContact O-CG1 3.27Å; D59-I63 PolarHBondContact O-N 3.3Å
60	K	97.3	Very high	96.8	Very high	79 Å²	79	58.4 Å²	58.4	34%	0.343	33%	0.332	S	S	.	.	H	α-helix	trans	-57.7	-37.1	-178.2	-74.3	-173.4	168.9	-175.8	0	114.5	E37 N38 F41 I64	E37-K60 IonicContact OE1-NZ 2.85Å; E37-K60 PolarHBondContact OE1-NZ 2.94Å; N38-K60 VanDerWaalsContact OD1-CE 3.3Å; N38-K60 WeakPolarHBondContact OD1-CE 3.39Å; N38-K60 PolarHBondContact OD1-NZ 2.87Å; F41-K60 HydrophobicContact CD1-CB 4.1Å; F41-K60 HydrophobicContact CD1-CD 4.45Å; F41-K60 HydrophobicContact CD1-CG 3.86Å; F41-K60 HydrophobicContact CD2-CD 3.76Å; F41-K60 VanDerWaalsContact CD2-CE 3.4Å; F41-K60 HydrophobicContact CD2-CG 4Å; F41-K60 HydrophobicContact CE1-CB 3.71Å; F41-K60 HydrophobicContact CE1-CD 4.28Å; F41-K60 HydrophobicContact CE1-CG 3.88Å; F41-K60 WeakPolarHBondContact CE1-O 3.47Å; F41-K60 HydrophobicContact CE2-CB 4.49Å; F41-K60 HydrophobicContact CE2-CD 3.59Å; F41-K60 HydrophobicContact CE2-CG 4.06Å; F41-K60 HydrophobicContact CG-CD 4.21Å; F41-K60 HydrophobicContact CG-CG 3.93Å; F41-K60 HydrophobicContact CZ-CB 3.94Å; F41-K60 HydrophobicContact CZ-CD 3.88Å; F41-K60 HydrophobicContact CZ-CG 4Å; K60-I64 PolarHBondContact O-N 2.67Å
61	A	97.8	Very high	96.9	Very high	68 Å²	68	60.6 Å²	60.6	56%	0.562	34%	0.343	S	S	*	.	H	α-helix	trans	-73.4	-40.5	-179.5	0	0	0	0	0	110.5	D59 I64 R65	D59-A61 VanDerWaalsContact C-N 3.32Å; D59-A61 PolarHBondContact O-N 3.26Å; D59-A61 WeakPolarHBondContact OD2-CA 3.31Å; D59-A61 VanDerWaalsContact OD2-CB 3.29Å; D59-A61 WeakPolarHBondContact OD2-CB 3.48Å; D59-A61 PolarHBondContact OD2-N 3.45Å; A61-I64 PolarHBondContact O-N 3.25Å; A61-R65 WeakPolarHBondContact O-CB 3.07Å; A61-R65 PolarHBondContact O-N 3.44Å
62	S	97.6	Very high	96.9	Very high	11 Å²	11	60.5 Å²	60.5	8%	0.077	33%	0.334	C	S	.	.	H	α-helix	trans	-63.5	-38.8	172.4	-64.8	0	0	0	0	112.8	D59 I64 R65 L66	D59-S62 PolarHBondContact O-N 3.07Å; D59-S62 WeakPolarHBondContact OD1-CB 3.18Å; D59-S62 PolarHBondContact OD1-OG 3.27Å; D59-S62 PolarHBondContact OD2-N 2.91Å; S62-I64 PolarHBondContact O-N 3.3Å; S62-R65 PolarHBondContact O-N 3.37Å; S62-R65 PolarHBondContact OG-NH2 2.74Å; S62-L66 WeakPolarHBondContact O-CB 3.37Å; S62-L66 WeakPolarHBondContact O-CG 3.33Å; S62-L66 PolarHBondContact O-N 3.46Å
63	I	98.4	Very high	97	Very high	6 Å²	6	58.5 Å²	58.5	3%	0.031	31%	0.312	C	S	.	.	H	α-helix	trans	-55.3	-54.3	174.2	-66.8	162.3	0	0	0	110.4	F41 L44 A45 L58 D59 R65 L66 T67	F41-I63 HydrophobicContact CD1-CB 4.34Å; F41-I63 HydrophobicContact CD1-CD1 4.22Å; F41-I63 HydrophobicContact CD1-CG2 4.19Å; L44-I63 HydrophobicContact CB-CG2 4.27Å; L44-I63 HydrophobicContact CD2-CG2 3.9Å; L44-I63 HydrophobicContact CG-CG2 3.9Å; A45-I63 HydrophobicContact CB-CD1 3.87Å; A45-I63 HydrophobicContact CB-CG1 3.99Å; A45-I63 HydrophobicContact CB-CG2 4.48Å; L58-I63 HydrophobicContact CB-CD1 4.2Å; L58-I63 HydrophobicContact CB-CG1 3.67Å; L58-I63 HydrophobicContact CD1-CG1 4.14Å; D59-I63 WeakPolarHBondContact O-CG1 3.27Å; D59-I63 PolarHBondContact O-N 3.3Å; I63-R65 PolarHBondContact O-N 3.44Å; I63-L66 PolarHBondContact O-N 3.02Å; I63-T67 PolarHBondContact O-N 3.05Å; I63-T67 PolarHBondContact O-OG1 3.42Å
64	I	98.4	Very high	96.9	Very high	71 Å²	71	61.5 Å²	61.5	36%	0.364	31%	0.309	S	S	.	.	H	α-helix	trans	-62.7	-43.4	179.1	-59.4	-57.6	0	0	0	111.9	F41 L44 K60 A61 S62 L66 T67 I68	F41-I64 HydrophobicContact CE1-CD1 3.79Å; F41-I64 HydrophobicContact CE1-CG1 3.78Å; F41-I64 HydrophobicContact CZ-CD1 4.38Å; F41-I64 HydrophobicContact CZ-CG1 4.36Å; L44-I64 HydrophobicContact CD2-CD1 4.07Å; K60-I64 PolarHBondContact O-N 2.67Å; A61-I64 PolarHBondContact O-N 3.25Å; S62-I64 PolarHBondContact O-N 3.3Å; I64-L66 PolarHBondContact O-N 3.37Å; I64-T67 PolarHBondContact O-N 3.15Å; I64-I68 HydrophobicContact CG2-CD1 3.61Å; I64-I68 HydrophobicContact CG2-CG1 4.19Å; I64-I68 WeakPolarHBondContact O-CB 3.15Å; I64-I68 WeakPolarHBondContact O-CG1 3.46Å; I64-I68 PolarHBondContact O-N 2.81Å
65	R	98.2	Very high	96.8	Very high	60 Å²	60	62.3 Å²	62.3	23%	0.226	31%	0.314	C	S	.	.	H	α-helix	trans	-60.9	-42.9	-179.8	-178.4	171.1	57.8	93.8	1	111.6	A61 S62 I63 S69 V155 E156 T158 S160	A61-R65 WeakPolarHBondContact O-CB 3.07Å; A61-R65 PolarHBondContact O-N 3.44Å; S62-R65 PolarHBondContact O-N 3.37Å; S62-R65 PolarHBondContact OG-NH2 2.74Å; I63-R65 PolarHBondContact O-N 3.44Å; R65-S69 WeakPolarHBondContact O-CB 3.34Å; R65-S69 PolarHBondContact O-N 3.03Å; R65-S69 PolarHBondContact O-OG 2.92Å; R65-V155 PolarHBondContact NH1-O 3.05Å; R65-V155 VanDerWaalsContact NH1-O 3.13Å; R65-V155 PolarHBondContact NH2-O 2.76Å; R65-E156 PolarHBondContact NH1-O 2.98Å; R65-T158 PolarHBondContact NH1-O 3.09Å; R65-S160 PolarHBondContact NH1-OG 3.43Å
66	L	98.4	Very high	96.6	Very high	12 Å²	12	62.3 Å²	62.3	6%	0.063	31%	0.313	C	S	.	.	H	α-helix	trans	-68.6	-44.2	174.6	-67.9	172.9	0	0	0	111.8	L48 L50 L58 S62 I63 I64 I68 S69 Y70 V155 T158	L48-L66 HydrophobicContact CD1-CB 3.97Å; L48-L66 HydrophobicContact CD1-CD1 3.97Å; L48-L66 HydrophobicContact CD2-CB 3.94Å; L50-L66 HydrophobicContact CD1-CD1 3.93Å; L58-L66 HydrophobicContact CD1-CD1 3.84Å; L58-L66 HydrophobicContact CD2-CD1 4.1Å; S62-L66 WeakPolarHBondContact O-CB 3.37Å; S62-L66 WeakPolarHBondContact O-CG 3.33Å; S62-L66 PolarHBondContact O-N 3.46Å; I63-L66 PolarHBondContact O-N 3.02Å; I64-L66 PolarHBondContact O-N 3.37Å; L66-I68 PolarHBondContact O-N 3.42Å; L66-S69 PolarHBondContact O-N 2.94Å; L66-Y70 WeakPolarHBondContact O-CB 3.39Å; L66-Y70 PolarHBondContact O-N 3.29Å; L66-V155 HydrophobicContact CD1-CG1 4.31Å; L66-T158 HydrophobicContact CD2-CG2 3.78Å
67	T	98.4	Very high	96.5	Very high	25 Å²	25	59.3 Å²	59.3	15%	0.153	29%	0.293	C	S	.	.	H	α-helix	trans	-58.7	-48.1	175.9	-58.5	0	0	0	0	111.8	L44 I63 I64 S69 Y70 L71	L44-T67 HydrophobicContact CD1-CG2 3.98Å; L44-T67 HydrophobicContact CD2-CG2 4.46Å; I63-T67 PolarHBondContact O-N 3.05Å; I63-T67 PolarHBondContact O-OG1 3.42Å; I64-T67 PolarHBondContact O-N 3.15Å; T67-S69 VanDerWaalsContact C-N 3.33Å; T67-S69 PolarHBondContact O-N 3.05Å; T67-Y70 PolarHBondContact O-N 3.46Å; T67-L71 HydrophobicContact CG2-CD1 4.03Å; T67-L71 WeakPolarHBondContact O-CB 3.26Å; T67-L71 VanDerWaalsContact O-CG 3.3Å; T67-L71 WeakPolarHBondContact O-CG 3.41Å; T67-L71 PolarHBondContact O-N 3.39Å
68	I	98.3	Very high	96.2	Very high	90 Å²	90	55.3 Å²	55.3	46%	0.462	28%	0.276	S	S	.	.	H	α-helix	trans	-61.7	-43.3	178.2	-70.1	173	0	0	0	110.6	I64 L66 L71 K72	I64-I68 HydrophobicContact CG2-CD1 3.61Å; I64-I68 HydrophobicContact CG2-CG1 4.19Å; I64-I68 WeakPolarHBondContact O-CB 3.15Å; I64-I68 WeakPolarHBondContact O-CG1 3.46Å; I64-I68 PolarHBondContact O-N 2.81Å; L66-I68 PolarHBondContact O-N 3.42Å; I68-L71 PolarHBondContact O-N 2.81Å; I68-K72 WeakPolarHBondContact O-CB 3.49Å; I68-K72 PolarHBondContact O-N 3.25Å
69	S	98.3	Very high	95.6	Very high	6 Å²	6	56.8 Å²	56.8	4%	0.042	28%	0.283	C	S	.	.	H	α-helix	trans	-68	-41.8	-178.7	-54.5	0	0	0	0	111.9	R65 L66 T67 K72 M73 G159	R65-S69 WeakPolarHBondContact O-CB 3.34Å; R65-S69 PolarHBondContact O-N 3.03Å; R65-S69 PolarHBondContact O-OG 2.92Å; L66-S69 PolarHBondContact O-N 2.94Å; T67-S69 VanDerWaalsContact C-N 3.33Å; T67-S69 PolarHBondContact O-N 3.05Å; S69-K72 PolarHBondContact O-N 3.44Å; S69-M73 WeakPolarHBondContact O-CB 3.42Å; S69-M73 PolarHBondContact O-N 3.06Å; S69-G159 WeakPolarHBondContact OG-CA 3.27Å; S69-G159 PolarHBondContact OG-N 2.81Å
70	Y	97.9	Very high	94.7	Very high	102 Å²	102	53 Å²	53	40%	0.4	26%	0.263	S	S	.	.	H	α-helix	trans	-61.5	-43.9	173.9	173.9	-105.7	0	0	0	112.2	P49 L66 T67 M73 R74	P49-Y70 HydrophobicContact CB-CE2 4.49Å; P49-Y70 HydrophobicContact CG-CD2 3.71Å; P49-Y70 HydrophobicContact CG-CE2 3.85Å; P49-Y70 HydrophobicContact CG-CG 4.39Å; L66-Y70 WeakPolarHBondContact O-CB 3.39Å; L66-Y70 PolarHBondContact O-N 3.29Å; T67-Y70 PolarHBondContact O-N 3.46Å; Y70-M73 PolarHBondContact O-N 3.23Å; Y70-R74 PolarHBondContact O-N 3.25Å
71	L	97.8	Very high	93.7	Very high	84 Å²	84	55.3 Å²	55.3	44%	0.44	28%	0.279	S	S	.	.	H	α-helix	trans	-65.1	-43.5	176.7	-69.7	172.9	0	0	0	111.9	T67 I68 R74 D75	T67-L71 HydrophobicContact CG2-CD1 4.03Å; T67-L71 WeakPolarHBondContact O-CB 3.26Å; T67-L71 VanDerWaalsContact O-CG 3.3Å; T67-L71 WeakPolarHBondContact O-CG 3.41Å; T67-L71 PolarHBondContact O-N 3.39Å; I68-L71 PolarHBondContact O-N 2.81Å; L71-R74 PolarHBondContact O-N 3.09Å; L71-D75 PolarHBondContact O-N 3.12Å; L71-D75 VanDerWaalsContact O-N 3.09Å
72	K	96.2	Very high	92.8	Very high	83 Å²	83	56.3 Å²	56.3	36%	0.361	28%	0.28	S	S	.	.	H	α-helix	trans	-63.7	-38	172.2	-79.2	-164.2	173	-162.9	0	112.4	I68 S69 D75 F76 N134 E136 L140	I68-K72 WeakPolarHBondContact O-CB 3.49Å; I68-K72 PolarHBondContact O-N 3.25Å; S69-K72 PolarHBondContact O-N 3.44Å; K72-D75 PolarHBondContact O-N 3.37Å; K72-F76 VanDerWaalsContact O-CB 3.28Å; K72-F76 WeakPolarHBondContact O-CB 3.41Å; K72-F76 PolarHBondContact O-N 2.83Å; K72-N134 PolarHBondContact NZ-ND2 3.41Å; K72-E136 IonicContact NZ-OE1 3.64Å; K72-E136 IonicContact NZ-OE2 3.9Å; K72-E136 PolarHBondContact NZ-OE2 2.84Å; K72-L140 HydrophobicContact CB-CD2 3.57Å; K72-L140 HydrophobicContact CD-CD2 4.06Å; K72-L140 HydrophobicContact CG-CD2 4.48Å
73	M	95.6	Very high	92.2	Very high	34 Å²	34	58.5 Å²	58.5	17%	0.167	29%	0.294	C	S	.	.	H	α-helix	trans	-65.2	-42.4	177.9	-179.6	59.5	179.4	0	0	111.4	S69 Y70 F76 A77 W84 A132 L140 Y141	S69-M73 WeakPolarHBondContact O-CB 3.42Å; S69-M73 PolarHBondContact O-N 3.06Å; Y70-M73 PolarHBondContact O-N 3.23Å; M73-F76 PolarHBondContact O-N 2.85Å; M73-A77 WeakPolarHBondContact O-CB 3.43Å; M73-A77 PolarHBondContact O-N 2.63Å; M73-W84 HydrophobicContact CE-CE3 4.26Å; M73-W84 HydrophobicContact CE-CZ3 3.68Å; M73-W84 HydrophobicContact SD-CZ3 4.48Å; M73-A132 HydrophobicContact CE-CB 4.41Å; M73-A132 HydrophobicContact SD-CB 4.18Å; M73-L140 HydrophobicContact CB-CB 4.03Å; M73-L140 HydrophobicContact CG-CB 4.45Å; M73-L140 HydrophobicContact SD-CB 3.79Å; M73-Y141 VanDerWaalsContact CE-CB 3.42Å; M73-Y141 HydrophobicContact CE-CD1 4.4Å; M73-Y141 HydrophobicContact CE-CG 3.9Å
74	R	93.7	Very high	91.6	Very high	133 Å²	133	63.1 Å²	63.1	50%	0.502	31%	0.311	S	S	.	.	H	α-helix	trans	-65.7	-38	174.8	-170.2	178.5	67.5	-179.6	1.7	112.1	Y70 L71 N78	Y70-R74 PolarHBondContact O-N 3.25Å; L71-R74 PolarHBondContact O-N 3.09Å; R74-N78 WeakPolarHBondContact O-CB 3.4Å; R74-N78 PolarHBondContact O-N 3.03Å; R74-N78 PolarHBondContact O-OD1 2.77Å
75	D	91.6	Very high	90.3	Very high	89 Å²	89	64.7 Å²	64.7	48%	0.476	32%	0.321	S	S	.	.	H	α-helix	trans	-66.3	-46.7	175	-167.6	47.5	0	0	0	111.5	L71 K72 A77 N78 Q79	L71-D75 PolarHBondContact O-N 3.12Å; L71-D75 VanDerWaalsContact O-N 3.09Å; K72-D75 PolarHBondContact O-N 3.37Å; D75-A77 PolarHBondContact O-N 3.35Å; D75-N78 PolarHBondContact O-N 3.46Å; D75-Q79 WeakPolarHBondContact O-CB 3.43Å; D75-Q79 WeakPolarHBondContact O-CG 3.49Å; D75-Q79 PolarHBondContact O-N 2.66Å; D75-Q79 VanDerWaalsContact O-N 3.12Å; D75-Q79 PolarHBondContact OD1-NE2 2.85Å; D75-Q79 PolarHBondContact OD2-NE2 2.94Å
76	F	92.4	Very high	88.3	Confident	8 Å²	8	68.5 Å²	68.5	4%	0.035	34%	0.344	C	S	.	.	H	α-helix	trans	-58.7	-46.5	173.5	-179.7	-87.5	0	0	0	112	K72 M73 N78 Q79 W84 A132 L140 R261 M277 V280	K72-F76 VanDerWaalsContact O-CB 3.28Å; K72-F76 WeakPolarHBondContact O-CB 3.41Å; K72-F76 PolarHBondContact O-N 2.83Å; M73-F76 PolarHBondContact O-N 2.85Å; F76-N78 VanDerWaalsContact C-N 3.26Å; F76-N78 PolarHBondContact O-N 2.96Å; F76-Q79 PolarHBondContact O-N 2.75Å; F76-W84 HydrophobicContact CD1-CH2 4.2Å; F76-W84 AromaticContact CD1-CZ3 3.99Å; F76-W84 HydrophobicContact CD1-CZ3 3.99Å; F76-W84 AromaticContact CE1-CH2 3.67Å; F76-W84 HydrophobicContact CE1-CH2 3.67Å; F76-W84 HydrophobicContact CE1-CZ2 4.41Å; F76-W84 AromaticContact CE1-CZ3 3.94Å; F76-W84 HydrophobicContact CE1-CZ3 3.94Å; F76-A132 HydrophobicContact CE1-CB 4.26Å; F76-L140 HydrophobicContact CB-CD1 3.53Å; F76-L140 HydrophobicContact CD1-CD1 4.28Å; F76-L140 HydrophobicContact CD2-CD1 3.74Å; F76-L140 HydrophobicContact CE2-CD1 4.5Å; F76-L140 HydrophobicContact CG-CD1 3.62Å; F76-R261 HydrophobicContact CE2-CB 4.48Å; F76-R261 HydrophobicContact CZ-CB 4.01Å; F76-R261 PolarHBondContact O-NH1 2.9Å; F76-M277 HydrophobicContact CB-CE 4.39Å; F76-M277 HydrophobicContact CD2-CB 3.92Å; F76-M277 HydrophobicContact CD2-CE 3.8Å; F76-M277 HydrophobicContact CE2-CB 3.7Å; F76-M277 HydrophobicContact CE2-CE 4.34Å; F76-M277 HydrophobicContact CG-CE 4.11Å; F76-M277 WeakPolarHBondContact O-CE 3.38Å; F76-V280 HydrophobicContact CE1-CG2 3.72Å; F76-V280 HydrophobicContact CZ-CG2 3.67Å
77	A	91.3	Very high	86	Confident	12 Å²	12	80.1 Å²	80.1	10%	0.099	39%	0.387	C	S	.	.	H	α-helix	trans	-52.8	-43.9	176.8	0	0	0	0	0	112.1	M73 D75 P83 W84 R261	M73-A77 WeakPolarHBondContact O-CB 3.43Å; M73-A77 PolarHBondContact O-N 2.63Å; D75-A77 PolarHBondContact O-N 3.35Å; A77-P83 WeakPolarHBondContact O-CA 3.19Å; A77-W84 HydrophobicContact CB-CB 4.13Å; A77-W84 HydrophobicContact CB-CD2 4.44Å; A77-W84 HydrophobicContact CB-CE3 3.83Å; A77-W84 PolarHBondContact O-N 3.26Å; A77-R261 PolarHBondContact O-NH2 2.85Å
78	N	88.6	Confident	83.5	Confident	79 Å²	79	85.3 Å²	85.3	42%	0.422	41%	0.412	S	S	.	.	H	α-helix	trans	-84.2	-22.2	-173.2	-67.5	1.8	0	0	0	114.9	R74 D75 F76	R74-N78 WeakPolarHBondContact O-CB 3.4Å; R74-N78 PolarHBondContact O-N 3.03Å; R74-N78 PolarHBondContact O-OD1 2.77Å; D75-N78 PolarHBondContact O-N 3.46Å; F76-N78 VanDerWaalsContact C-N 3.26Å; F76-N78 PolarHBondContact O-N 2.96Å
79	Q	84.9	Confident	80.8	Confident	58 Å²	58	90.2 Å²	90.2	27%	0.271	43%	0.433	S	S	.	.	H	α-helix	trans	-96.8	-17.7	-171.2	-75.3	-170.9	35.7	0	0	116.1	D75 F76 M277	D75-Q79 WeakPolarHBondContact O-CB 3.43Å; D75-Q79 WeakPolarHBondContact O-CG 3.49Å; D75-Q79 PolarHBondContact O-N 2.66Å; D75-Q79 VanDerWaalsContact O-N 3.12Å; D75-Q79 PolarHBondContact OD1-NE2 2.85Å; D75-Q79 PolarHBondContact OD2-NE2 2.94Å; F76-Q79 PolarHBondContact O-N 2.75Å; Q79-M277 HydrophobicContact CB-CE 3.66Å; Q79-M277 HydrophobicContact CB-SD 4.35Å
80	G	77.3	Confident	78.4	Confident	3 Å²	3	92.1 Å²	92.1	3%	0.031	45%	0.453	C	S	.	.	B	Isolated β-bridge	trans	-94.5	162.3	175.7	0	0	0	0	0	112.1	P82 P83 R261	G80-P82 CarbonylContact O-C 3.47Å; G80-P82 VanDerWaalsContact O-O 3.08Å; G80-P83 WeakPolarHBondContact O-CA 3.41Å; G80-P83 VanDerWaalsContact O-N 3.08Å; G80-R261 VanDerWaalsContact C-NH2 3.31Å; G80-R261 PolarHBondContact O-NH2 2.9Å
81	D	75.8	Confident	75.6	Confident	127 Å²	127	93.1 Å²	93.1	68%	0.679	47%	0.472	S	S	*	.	S	Bend	trans	-96.2	135.9	-177.2	-166.7	24.6	0	0	0	112.1	V264	D81-V264 HydrophobicContact CB-CG2 4.24Å
82	P	79.7	Confident	73.1	Confident	90 Å²	90	94.3 Å²	94.3	58%	0.584	49%	0.485	S	S	*	.	S	Bend	cis	-63.9	154.1	-23.9	31.2	-35.3	0	0	0	111.1	G80 R261	G80-P82 CarbonylContact O-C 3.47Å; G80-P82 VanDerWaalsContact O-O 3.08Å; P82-R261 PolarHBondContact O-NH2 3.45Å
83	P	84.3	Confident	70.9	Confident	57 Å²	57	96 Å²	96	37%	0.37	50%	0.504	S	S	.	.	P	Polyproline II helix	trans	-66	137.3	172.5	27.9	-34.5	0	0	0	109.6	A77 G80 N85	A77-P83 WeakPolarHBondContact O-CA 3.19Å; G80-P83 WeakPolarHBondContact O-CA 3.41Å; G80-P83 VanDerWaalsContact O-N 3.08Å; P83-N85 PolarHBondContact O-N 2.93Å
84	W	87.1	Confident	68.3	Low	103 Å²	103	101.8 Å²	101.8	39%	0.39	54%	0.536	S	S	.	.			trans	-79.9	44.5	-174.4	-59.8	-19.1	0	0	0	113.3	M73 F76 A77 V280	M73-W84 HydrophobicContact CE-CE3 4.26Å; M73-W84 HydrophobicContact CE-CZ3 3.68Å; M73-W84 HydrophobicContact SD-CZ3 4.48Å; F76-W84 HydrophobicContact CD1-CH2 4.2Å; F76-W84 AromaticContact CD1-CZ3 3.99Å; F76-W84 HydrophobicContact CD1-CZ3 3.99Å; F76-W84 AromaticContact CE1-CH2 3.67Å; F76-W84 HydrophobicContact CE1-CH2 3.67Å; F76-W84 HydrophobicContact CE1-CZ2 4.41Å; F76-W84 AromaticContact CE1-CZ3 3.94Å; F76-W84 HydrophobicContact CE1-CZ3 3.94Å; A77-W84 HydrophobicContact CB-CB 4.13Å; A77-W84 HydrophobicContact CB-CD2 4.44Å; A77-W84 HydrophobicContact CB-CE3 3.83Å; A77-W84 PolarHBondContact O-N 3.26Å; W84-V280 HydrophobicContact CH2-CG1 3.92Å; W84-V280 HydrophobicContact CH2-CG2 3.73Å; W84-V280 HydrophobicContact CZ2-CG1 4.09Å; W84-V280 HydrophobicContact CZ2-CG2 3.95Å
85	N	71.5	Confident	66.2	Low	104 Å²	104	102.7 Å²	102.7	56%	0.556	56%	0.556	S	S	*	*			trans	-77.3	138.5	169.1	-62.3	-38.5	0	0	0	109.2	P83 R87	P83-N85 PolarHBondContact O-N 2.93Å; N85-R87 PolarHBondContact O-N 3.43Å
86	L	56.1	Low	64	Low	139 Å²	139	103.4 Å²	103.4	73%	0.728	57%	0.568	S	S	*	*			trans	-63.1	129.3	164	-72.3	86.8	0	0	0	108.4	M88	L86-M88 HydrophobicContact CB-CG 4.32Å; L86-M88 HydrophobicContact CD2-SD 4.15Å; L86-M88 PolarHBondContact O-N 2.82Å
87	R	49.8	Very low	61.7	Low	256 Å²	256	109.2 Å²	109.2	97%	0.966	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.8	34.8	175.5	-83.1	-170	168.7	-140.7	5.5	113.2	N85	N85-R87 PolarHBondContact O-N 3.43Å
88	M	46.1	Very low	59.7	Low	135 Å²	135	119 Å²	119	67%	0.665	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.1	-26.2	178.1	-74.4	-174.2	75.9	0	0	113.4	L86 G90	L86-M88 HydrophobicContact CB-CG 4.32Å; L86-M88 HydrophobicContact CD2-SD 4.15Å; L86-M88 PolarHBondContact O-N 2.82Å; M88-G90 PolarHBondContact O-N 3.42Å
89	E	41.5	Very low	57.6	Low	193 Å²	193	119 Å²	119	90%	0.902	66%	0.663	S	S	*	*			trans	-81.9	50.9	-179	-150	103	-125.5	0	0	112.2
90	G	47.8	Very low	55.5	Low	45 Å²	45	120.1 Å²	120.1	46%	0.464	68%	0.682	S	S	.	*	S	Bend	trans	-65.3	155.5	156.1	0	0	0	0	0	109.8	M88	M88-G90 PolarHBondContact O-N 3.42Å
91	P	39.9	Very low	54	Low	123 Å²	123	129.4 Å²	129.4	80%	0.799	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-57	136.7	179.1	24.8	-33.9	0	0	0	110.2
92	P	43.3	Very low	52.6	Low	110 Å²	110	134.4 Å²	134.4	71%	0.714	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-58	137.3	-173.2	22.7	-33.8	0	0	0	110.5	N94	P92-N94 PolarHBondContact O-N 3.2Å
93	P	50.8	Low	51.1	Low	118 Å²	118	141.7 Å²	141.7	77%	0.766	75%	0.75	S	S	*	*			trans	-62.2	113.8	-175.7	24.6	-33.7	0	0	0	109.8	T95	P93-T95 PolarHBondContact O-N 3.21Å
94	N	41.8	Very low	49.8	Very low	155 Å²	155	147.3 Å²	147.3	83%	0.829	76%	0.764	S	S	*	*			trans	-44.3	111.4	-173.8	-93.4	-31.1	0	0	0	112	P92 S96	P92-N94 PolarHBondContact O-N 3.2Å; N94-S96 PolarHBondContact O-N 3.2Å
95	T	48.8	Very low	48.4	Very low	152 Å²	152	144.8 Å²	144.8	93%	0.933	76%	0.761	S	S	*	*	S	Bend	trans	-77.9	49.1	-176.9	48.4	0	0	0	0	112.2	P93	P93-T95 PolarHBondContact O-N 3.21Å
96	S	46.8	Very low	47.8	Very low	105 Å²	105	145.1 Å²	145.1	73%	0.734	77%	0.77	S	S	*	*			trans	-130.3	29.3	-172.4	-159.1	0	0	0	0	113.7	N94	N94-S96 PolarHBondContact O-N 3.2Å
97	V	43.8	Very low	47.9	Very low	130 Å²	130	142 Å²	142	79%	0.788	76%	0.759	S	S	*	*			trans	-132.6	94.7	163.4	-171.5	0	0	0	0	109.7
98	K	47.8	Very low	48.7	Very low	218 Å²	218	131.3 Å²	131.3	95%	0.948	73%	0.726	S	S	*	*			trans	-71.3	129.2	162.1	-76.6	-177.7	176.3	177.8	0	108.1
99	G	46	Very low	49.5	Very low	79 Å²	79	128.7 Å²	128.7	81%	0.814	71%	0.714	S	S	*	*			trans	115.4	43.7	166.8	0	0	0	0	0	117.2
100	A	39.8	Very low	50.5	Low	80 Å²	80	121.4 Å²	121.4	66%	0.661	69%	0.686	S	S	*	*			trans	-145	112.8	158.1	0	0	0	0	0	110.9	R102	A100-R102 VanDerWaalsContact C-N 3.26Å; A100-R102 PolarHBondContact O-N 3.45Å
101	Q	45.1	Very low	51.4	Low	198 Å²	198	124.2 Å²	124.2	93%	0.925	69%	0.69	S	S	*	*			trans	-72.3	87.9	160.9	-81.4	-162.5	-11.7	0	0	108.4	R103	Q101-R103 PolarHBondContact O-N 3.36Å
102	R	47.1	Very low	52.9	Low	233 Å²	233	123 Å²	123	88%	0.879	67%	0.674	S	S	*	*			trans	-59.4	107.3	160.7	-78.6	-173.1	173.4	-172.2	-1.7	107.4	A100 R104	A100-R102 VanDerWaalsContact C-N 3.26Å; A100-R102 PolarHBondContact O-N 3.45Å; R102-R104 PolarHBondContact O-N 3.11Å; R102-R104 VanDerWaalsContact O-N 3.09Å
103	R	48.6	Very low	54.3	Low	242 Å²	242	122 Å²	122	91%	0.913	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-53.1	117.2	157.9	-70.4	-176.4	176.2	-170.5	-1	106	Q101 S105	Q101-R103 PolarHBondContact O-N 3.36Å; R103-S105 PolarHBondContact O-N 3.48Å; R103-S105 VanDerWaalsContact O-N 3.15Å
104	R	55.8	Low	55.4	Low	176 Å²	176	121.8 Å²	121.8	66%	0.664	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-56.9	122.4	169.3	-76.4	-172.5	172.1	90.4	-3.9	106.6	R102 L109 E112	R102-R104 PolarHBondContact O-N 3.11Å; R102-R104 VanDerWaalsContact O-N 3.09Å; R104-L109 HydrophobicContact CB-CD1 4.47Å; R104-L109 HydrophobicContact CB-CG 4.33Å; R104-E112 IonicContact NE-OE1 2.61Å
105	S	59.5	Low	57.2	Low	49 Å²	49	119.2 Å²	119.2	34%	0.343	64%	0.635	S	S	.	*	P	Polyproline II helix	trans	-67.2	149.6	175.5	56.9	0	0	0	0	109.1	R103 S107 A108 L109	R103-S105 PolarHBondContact O-N 3.48Å; R103-S105 VanDerWaalsContact O-N 3.15Å; S105-S107 WeakPolarHBondContact CB-OG 3.24Å; S105-S107 PolarHBondContact O-N 2.97Å; S105-S107 VanDerWaalsContact O-N 3.15Å; S105-S107 PolarHBondContact OG-OG 3.05Å; S105-A108 PolarHBondContact O-N 3.42Å; S105-A108 WeakPolarHBondContact OG-CB 3.39Å; S105-A108 PolarHBondContact OG-N 3.3Å; S105-A108 VanDerWaalsContact OG-N 3.16Å; S105-L109 PolarHBondContact O-N 3.18Å
106	P	58.6	Low	58.6	Low	112 Å²	112	115.5 Å²	115.5	73%	0.727	62%	0.62	S	S	*	*	H	α-helix	trans	-54.7	-30.6	170.8	-27.2	36	0	0	0	112.4	A110	P106-A110 WeakPolarHBondContact O-CB 3.37Å; P106-A110 PolarHBondContact O-N 2.95Å
107	S	57.5	Low	60.4	Low	72 Å²	72	115.5 Å²	115.5	50%	0.503	61%	0.608	S	S	.	*	H	α-helix	trans	-65	-37.6	172.7	53.2	0	0	0	0	113.9	S105 A110 I111	S105-S107 WeakPolarHBondContact CB-OG 3.24Å; S105-S107 PolarHBondContact O-N 2.97Å; S105-S107 VanDerWaalsContact O-N 3.15Å; S105-S107 PolarHBondContact OG-OG 3.05Å; S107-A110 PolarHBondContact O-N 3.15Å; S107-I111 WeakPolarHBondContact O-CD1 3.19Å; S107-I111 VanDerWaalsContact O-CG1 3.23Å; S107-I111 WeakPolarHBondContact O-CG1 3.46Å; S107-I111 PolarHBondContact O-N 2.92Å
108	A	65.8	Low	62.5	Low	32 Å²	32	113.8 Å²	113.8	26%	0.264	59%	0.594	S	S	.	*	H	α-helix	trans	-67.7	-42.3	176.9	0	0	0	0	0	111.2	S105 I111 E112	S105-A108 PolarHBondContact O-N 3.42Å; S105-A108 WeakPolarHBondContact OG-CB 3.39Å; S105-A108 PolarHBondContact OG-N 3.3Å; S105-A108 VanDerWaalsContact OG-N 3.16Å; A108-I111 PolarHBondContact O-N 2.93Å; A108-E112 WeakPolarHBondContact O-CG 3.27Å; A108-E112 PolarHBondContact O-N 3.02Å
109	L	63.7	Low	64.4	Low	81 Å²	81	105.7 Å²	105.7	42%	0.424	57%	0.573	S	S	.	*	H	α-helix	trans	-66.6	-36.6	175	-70	168.9	0	0	0	112.2	R104 S105 E112 V113	R104-L109 HydrophobicContact CB-CD1 4.47Å; R104-L109 HydrophobicContact CB-CG 4.33Å; S105-L109 PolarHBondContact O-N 3.18Å; L109-E112 PolarHBondContact O-N 3.2Å; L109-V113 WeakPolarHBondContact O-CB 3.41Å; L109-V113 VanDerWaalsContact O-CG2 3.3Å; L109-V113 WeakPolarHBondContact O-CG2 3.4Å; L109-V113 PolarHBondContact O-N 2.96Å
110	A	62.7	Low	66.5	Low	39 Å²	39	104.6 Å²	104.6	32%	0.322	55%	0.553	S	S	.	*	H	α-helix	trans	-63.7	-43.2	173.4	0	0	0	0	0	111.6	P106 S107 V113 F114	P106-A110 WeakPolarHBondContact O-CB 3.37Å; P106-A110 PolarHBondContact O-N 2.95Å; S107-A110 PolarHBondContact O-N 3.15Å; A110-V113 PolarHBondContact O-N 3.27Å; A110-F114 HydrophobicContact CB-CD2 4.44Å; A110-F114 HydrophobicContact CB-CE2 4.41Å; A110-F114 WeakPolarHBondContact O-CD2 3.32Å; A110-F114 PolarHBondContact O-N 2.9Å
111	I	66.1	Low	69	Low	104 Å²	104	104.5 Å²	104.5	53%	0.533	54%	0.538	S	S	.	.	H	α-helix	trans	-60.3	-52.1	174.1	-68.7	162.4	0	0	0	110.1	S107 A108 V113 F114 E115	S107-I111 WeakPolarHBondContact O-CD1 3.19Å; S107-I111 VanDerWaalsContact O-CG1 3.23Å; S107-I111 WeakPolarHBondContact O-CG1 3.46Å; S107-I111 PolarHBondContact O-N 2.92Å; A108-I111 PolarHBondContact O-N 2.93Å; I111-V113 PolarHBondContact O-N 3.22Å; I111-F114 PolarHBondContact O-N 3.27Å; I111-E115 WeakPolarHBondContact O-CB 3.42Å; I111-E115 PolarHBondContact O-N 3.25Å
112	E	71.1	Confident	71.3	Confident	99 Å²	99	99.2 Å²	99.2	46%	0.463	52%	0.515	S	S	.	.	H	α-helix	trans	-53.7	-38.7	177.5	-73.3	172.7	-168.7	0	0	112.3	R104 A108 L109 A116	R104-E112 IonicContact NE-OE1 2.61Å; A108-E112 WeakPolarHBondContact O-CG 3.27Å; A108-E112 PolarHBondContact O-N 3.02Å; L109-E112 PolarHBondContact O-N 3.2Å; E112-A116 WeakPolarHBondContact O-CB 3.42Å; E112-A116 PolarHBondContact O-N 2.71Å
113	V	72.7	Confident	73.6	Confident	88 Å²	88	89.2 Å²	89.2	53%	0.533	48%	0.48	S	S	.	.	H	α-helix	trans	-75.9	-43.4	179.9	168.8	0	0	0	0	113.3	L109 A110 I111 H117	L109-V113 WeakPolarHBondContact O-CB 3.41Å; L109-V113 VanDerWaalsContact O-CG2 3.3Å; L109-V113 WeakPolarHBondContact O-CG2 3.4Å; L109-V113 PolarHBondContact O-N 2.96Å; A110-V113 PolarHBondContact O-N 3.27Å; I111-V113 PolarHBondContact O-N 3.22Å; V113-H117 PolarHBondContact O-ND1 3.26Å
114	F	74.4	Confident	75.7	Confident	114 Å²	114	84.9 Å²	84.9	50%	0.5	47%	0.47	S	S	.	.	H	α-helix	trans	-72.8	-35.6	178.7	-74.1	-58.9	0	0	0	112.1	A110 I111 H117 L118	A110-F114 HydrophobicContact CB-CD2 4.44Å; A110-F114 HydrophobicContact CB-CE2 4.41Å; A110-F114 WeakPolarHBondContact O-CD2 3.32Å; A110-F114 PolarHBondContact O-N 2.9Å; I111-F114 PolarHBondContact O-N 3.27Å; F114-H117 PolarHBondContact O-N 2.81Å; F114-L118 WeakPolarHBondContact O-CA 3.38Å; F114-L118 PolarHBondContact O-N 2.94Å
115	E	79.1	Confident	77.5	Confident	100 Å²	100	81.3 Å²	81.3	47%	0.467	47%	0.472	S	S	.	.	H	α-helix	trans	-64.4	-43	177.7	-173.7	167	-152	0	0	111.4	I111 H117 L118	I111-E115 WeakPolarHBondContact O-CB 3.42Å; I111-E115 PolarHBondContact O-N 3.25Å; E115-H117 PolarHBondContact O-N 2.7Å; E115-H117 VanDerWaalsContact O-N 3.13Å; E115-L118 WeakPolarHBondContact O-CB 3.32Å; E115-L118 PolarHBondContact O-N 3.49Å
116	A	79.1	Confident	79.1	Confident	75 Å²	75	81.5 Å²	81.5	62%	0.62	47%	0.468	S	S	*	.	H	α-helix	trans	-59.6	-24.3	177.8	0	0	0	0	0	114.6	E112	E112-A116 WeakPolarHBondContact O-CB 3.42Å; E112-A116 PolarHBondContact O-N 2.71Å
117	H	84.6	Confident	80.6	Confident	104 Å²	104	81.6 Å²	81.6	48%	0.481	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.9	8.9	-177.5	-56.1	92.4	0	0	0	113.1	V113 F114 E115 G119 S120 H121	V113-H117 PolarHBondContact O-ND1 3.26Å; F114-H117 PolarHBondContact O-N 2.81Å; E115-H117 PolarHBondContact O-N 2.7Å; E115-H117 VanDerWaalsContact O-N 3.13Å; H117-G119 VanDerWaalsContact C-N 3.32Å; H117-G119 PolarHBondContact O-N 3.1Å; H117-S120 PolarHBondContact O-N 3.35Å; H117-H121 PolarHBondContact O-N 3.3Å
118	L	87	Confident	82.4	Confident	94 Å²	94	78.1 Å²	78.1	49%	0.492	44%	0.439	S	S	.	.	H	α-helix	trans	-55.2	-42.7	-169.4	179.9	59.8	0	0	0	113.1	F114 E115 S120 H121 I122	F114-L118 WeakPolarHBondContact O-CA 3.38Å; F114-L118 PolarHBondContact O-N 2.94Å; E115-L118 WeakPolarHBondContact O-CB 3.32Å; E115-L118 PolarHBondContact O-N 3.49Å; L118-S120 PolarHBondContact O-N 3.43Å; L118-H121 PolarHBondContact O-N 3.02Å; L118-I122 HydrophobicContact CD1-CD1 3.96Å; L118-I122 HydrophobicContact CD1-CG1 4.18Å; L118-I122 HydrophobicContact CG-CD1 3.86Å; L118-I122 VanDerWaalsContact O-CG1 3.27Å; L118-I122 WeakPolarHBondContact O-CG1 3.39Å; L118-I122 PolarHBondContact O-N 3.45Å
119	G	88.4	Confident	83.9	Confident	48 Å²	48	76.6 Å²	76.6	50%	0.495	43%	0.426	S	S	.	.	H	α-helix	trans	-60.7	-44	177.9	0	0	0	0	0	113.1	H117 I122 L123	H117-G119 VanDerWaalsContact C-N 3.32Å; H117-G119 PolarHBondContact O-N 3.1Å; G119-I122 PolarHBondContact O-N 3.3Å; G119-L123 WeakPolarHBondContact O-CG 3.35Å; G119-L123 PolarHBondContact O-N 3.16Å; G119-L123 VanDerWaalsContact O-N 3.09Å
120	S	90.1	Very high	85.6	Confident	56 Å²	56	74.2 Å²	74.2	39%	0.392	42%	0.415	S	S	.	.	H	α-helix	trans	-67.9	-41.5	176.7	-54.3	0	0	0	0	111.5	H117 L118 L123 Q124	H117-S120 PolarHBondContact O-N 3.35Å; L118-S120 PolarHBondContact O-N 3.43Å; S120-L123 PolarHBondContact O-N 2.85Å; S120-Q124 VanDerWaalsContact O-CB 3.28Å; S120-Q124 WeakPolarHBondContact O-CB 3.42Å; S120-Q124 VanDerWaalsContact O-CG 3.23Å; S120-Q124 WeakPolarHBondContact O-CG 3.49Å; S120-Q124 PolarHBondContact O-N 3.1Å
121	H	91.6	Very high	87.3	Confident	78 Å²	78	72.4 Å²	72.4	36%	0.361	40%	0.399	S	S	.	.	H	α-helix	trans	-62.8	-41.4	175.9	-71.3	-40.7	0	0	0	112.3	H117 L118 S125	H117-H121 PolarHBondContact O-N 3.3Å; L118-H121 PolarHBondContact O-N 3.02Å; H121-S125 VanDerWaalsContact O-CB 3.25Å; H121-S125 WeakPolarHBondContact O-CB 3.47Å; H121-S125 PolarHBondContact O-N 3.09Å; H121-S125 VanDerWaalsContact O-N 3.08Å; H121-S125 PolarHBondContact O-OG 2.88Å
122	I	93.7	Very high	88.8	Confident	87 Å²	87	67.5 Å²	67.5	45%	0.446	37%	0.374	S	S	.	.	H	α-helix	trans	-59.7	-52.7	174.3	-70.8	164.2	0	0	0	110.2	L118 G119 Q124 S125 L126	L118-I122 HydrophobicContact CD1-CD1 3.96Å; L118-I122 HydrophobicContact CD1-CG1 4.18Å; L118-I122 HydrophobicContact CG-CD1 3.86Å; L118-I122 VanDerWaalsContact O-CG1 3.27Å; L118-I122 WeakPolarHBondContact O-CG1 3.39Å; L118-I122 PolarHBondContact O-N 3.45Å; G119-I122 PolarHBondContact O-N 3.3Å; I122-Q124 PolarHBondContact O-N 2.83Å; I122-S125 PolarHBondContact O-N 2.88Å; I122-L126 HydrophobicContact CG2-CD1 4.11Å; I122-L126 WeakPolarHBondContact O-CG 3.39Å; I122-L126 PolarHBondContact O-N 3.26Å
123	L	95	Very high	90.1	Very high	24 Å²	24	62.8 Å²	62.8	13%	0.126	35%	0.352	C	S	.	.	H	α-helix	trans	-67.9	-32.6	-175.5	-68.1	-178.1	0	0	0	113.6	G119 S120 V130 T145	G119-L123 WeakPolarHBondContact O-CG 3.35Å; G119-L123 PolarHBondContact O-N 3.16Å; G119-L123 VanDerWaalsContact O-N 3.09Å; S120-L123 PolarHBondContact O-N 2.85Å; L123-V130 HydrophobicContact CD2-CG2 4.19Å; L123-T145 HydrophobicContact CB-CG2 4.15Å
124	Q	92.7	Very high	91.2	Very high	151 Å²	151	58.8 Å²	58.8	71%	0.706	33%	0.328	S	S	*	.	H	α-helix	trans	-79.8	-18.3	177.1	-70	172.5	-4	0	0	113.5	S120 I122	S120-Q124 VanDerWaalsContact O-CB 3.28Å; S120-Q124 WeakPolarHBondContact O-CB 3.42Å; S120-Q124 VanDerWaalsContact O-CG 3.23Å; S120-Q124 WeakPolarHBondContact O-CG 3.49Å; S120-Q124 PolarHBondContact O-N 3.1Å; I122-Q124 PolarHBondContact O-N 2.83Å
125	S	93.9	Very high	92.1	Very high	101 Å²	101	57.3 Å²	57.3	71%	0.706	32%	0.323	S	S	*	.	H	α-helix	trans	-93	-12.4	179.4	-53	0	0	0	0	113.3	H121 I122	H121-S125 VanDerWaalsContact O-CB 3.25Å; H121-S125 WeakPolarHBondContact O-CB 3.47Å; H121-S125 PolarHBondContact O-N 3.09Å; H121-S125 VanDerWaalsContact O-N 3.08Å; H121-S125 PolarHBondContact O-OG 2.88Å; I122-S125 PolarHBondContact O-N 2.88Å
126	L	93.7	Very high	92.8	Very high	52 Å²	52	56.4 Å²	56.4	27%	0.272	32%	0.319	S	S	.	.	S	Bend	trans	-88.5	123.8	174.9	-71.8	169.7	0	0	0	109.8	I122 G128 V130 V282	I122-L126 HydrophobicContact CG2-CD1 4.11Å; I122-L126 WeakPolarHBondContact O-CG 3.39Å; I122-L126 PolarHBondContact O-N 3.26Å; L126-G128 PolarHBondContact O-N 3.08Å; L126-V130 HydrophobicContact CD1-CG2 3.5Å; L126-V282 HydrophobicContact CD2-CG1 4.24Å
127	D	90.3	Very high	93.6	Very high	114 Å²	114	52.9 Å²	52.9	61%	0.61	29%	0.289	S	S	*	.	S	Bend	trans	-78.3	68.5	170	-166.8	19.8	0	0	0	110.7	Y149 H284	D127-Y149 WeakPolarHBondContact CA-OH 3.35Å; D127-Y149 VanDerWaalsContact OD1-CE1 3.27Å; D127-Y149 WeakPolarHBondContact OD1-CE1 3.43Å; D127-Y149 PolarHBondContact OD1-OH 3.37Å; D127-H284 PolarHBondContact O-ND1 3.16Å
128	G	94.8	Very high	94.3	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.285	C	S	.	.	S	Bend	trans	167.1	-156.2	-176.2	0	0	0	0	0	114.2	L126 T145 Y149 A283	L126-G128 PolarHBondContact O-N 3.08Å; G128-T145 PolarHBondContact O-OG1 3.45Å; G128-Y149 VanDerWaalsContact CA-CE2 3.47Å; G128-Y149 VanDerWaalsContact N-CZ 3.27Å; G128-Y149 PolarHBondContact N-OH 2.97Å; G128-Y149 VanDerWaalsContact N-OH 3.16Å; G128-Y149 WeakPolarHBondContact O-CE2 3.25Å; G128-A283 CarbonylContact C-O 3.59Å; G128-A283 VanDerWaalsContact CA-O 3.25Å; G128-A283 WeakPolarHBondContact CA-O 3.34Å
129	F	97.9	Very high	94.8	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	147.8	178.7	58	-83.5	0	0	0	111.7	F131 I142 S143 T145 V146 Y149 L150 M235 I254 A283	F129-F131 AromaticContact CD2-CD1 3.92Å; F129-F131 HydrophobicContact CD2-CD1 3.92Å; F129-F131 HydrophobicContact CD2-CE1 4.46Å; F129-F131 AromaticContact CE2-CD1 3.77Å; F129-F131 HydrophobicContact CE2-CD1 3.77Å; F129-F131 AromaticContact CE2-CE1 3.89Å; F129-F131 HydrophobicContact CE2-CE1 3.89Å; F129-I142 HydrophobicContact CD2-CD1 3.77Å; F129-I142 HydrophobicContact CD2-CG1 4.15Å; F129-I142 HydrophobicContact CE2-CD1 3.99Å; F129-S143 WeakPolarHBondContact CA-OG 3.21Å; F129-S143 WeakPolarHBondContact CB-OG 3.43Å; F129-T145 WeakPolarHBondContact CA-OG1 3.48Å; F129-T145 WeakPolarHBondContact CB-OG1 3.4Å; F129-V146 HydrophobicContact CB-CB 4.01Å; F129-V146 HydrophobicContact CD1-CB 4.47Å; F129-V146 HydrophobicContact CD1-CG2 4.27Å; F129-V146 HydrophobicContact CD2-CB 4.01Å; F129-V146 HydrophobicContact CD2-CG2 3.8Å; F129-V146 HydrophobicContact CE1-CG2 4.39Å; F129-V146 HydrophobicContact CE2-CG2 3.92Å; F129-V146 HydrophobicContact CG-CB 3.93Å; F129-V146 HydrophobicContact CG-CG2 3.98Å; F129-V146 HydrophobicContact CZ-CG2 4.22Å; F129-Y149 HydrophobicContact CD1-CD2 4.17Å; F129-Y149 HydrophobicContact CD1-CG 4.33Å; F129-L150 HydrophobicContact CE1-CD1 4.3Å; F129-L150 HydrophobicContact CE1-CG 4.42Å; F129-L150 HydrophobicContact CZ-CD1 3.91Å; F129-M235 HydrophobicContact CE2-SD 4.46Å; F129-M235 HydrophobicContact CZ-SD 4.14Å; F129-I254 HydrophobicContact CE1-CD1 4.17Å; F129-I254 HydrophobicContact CZ-CD1 4.35Å; F129-I254 HydrophobicContact CZ-CG1 4.46Å; F129-I254 HydrophobicContact CZ-CG2 4.13Å; F129-A283 HydrophobicContact CD1-CB 4.4Å; F129-A283 HydrophobicContact CD2-CB 4.01Å; F129-A283 HydrophobicContact CE1-CB 4.1Å; F129-A283 HydrophobicContact CE2-CB 3.69Å; F129-A283 HydrophobicContact CG-CB 4.35Å; F129-A283 HydrophobicContact CZ-CB 3.73Å; F129-A283 PolarHBondContact N-O 3.26Å; F129-A283 PolarHBondContact O-N 3.01Å
130	V	98.4	Very high	95.3	Very high	30 Å²	30	46 Å²	46	18%	0.182	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	136.6	-177.2	-178.3	0	0	0	0	108.6	L123 L126 Y141 I142 S143 V281 V282	L123-V130 HydrophobicContact CD2-CG2 4.19Å; L126-V130 HydrophobicContact CD1-CG2 3.5Å; V130-Y141 HydrophobicContact CB-CE1 4.47Å; V130-Y141 HydrophobicContact CG1-CE1 4.43Å; V130-I142 CarbonylContact O-C 3.55Å; V130-I142 VanDerWaalsContact O-CA 3.3Å; V130-I142 WeakPolarHBondContact O-CA 3.49Å; V130-S143 PolarHBondContact N-OG 2.81Å; V130-S143 PolarHBondContact O-N 2.88Å; V130-V281 WeakPolarHBondContact CA-O 3.49Å; V130-V281 WeakPolarHBondContact CG1-O 3.19Å; V130-V282 HydrophobicContact CG2-CG2 4.41Å
131	F	98.4	Very high	95.7	Very high	1 Å²	1	46.8 Å²	46.8	0%	0.004	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	157.5	172.9	65.8	-103.7	0	0	0	114.1	F129 L133 F139 Y141 I142 I256 V281 A283	F129-F131 AromaticContact CD2-CD1 3.92Å; F129-F131 HydrophobicContact CD2-CD1 3.92Å; F129-F131 HydrophobicContact CD2-CE1 4.46Å; F129-F131 AromaticContact CE2-CD1 3.77Å; F129-F131 HydrophobicContact CE2-CD1 3.77Å; F129-F131 AromaticContact CE2-CE1 3.89Å; F129-F131 HydrophobicContact CE2-CE1 3.89Å; F131-L133 HydrophobicContact CD2-CD1 4.46Å; F131-L133 HydrophobicContact CD2-CD2 4.01Å; F131-L133 HydrophobicContact CD2-CG 3.82Å; F131-L133 HydrophobicContact CE2-CD1 3.86Å; F131-L133 HydrophobicContact CE2-CD2 4.16Å; F131-L133 HydrophobicContact CE2-CG 3.73Å; F131-F139 HydrophobicContact CB-CD1 4.14Å; F131-F139 HydrophobicContact CB-CE1 4.26Å; F131-F139 HydrophobicContact CD1-CE1 4.38Å; F131-F139 HydrophobicContact CD2-CD1 4.28Å; F131-F139 HydrophobicContact CD2-CE1 4.02Å; F131-F139 HydrophobicContact CE2-CE1 4.4Å; F131-F139 HydrophobicContact CG-CD1 4.3Å; F131-F139 HydrophobicContact CG-CE1 4Å; F131-Y141 CarbonylContact C-O 3.52Å; F131-Y141 VanDerWaalsContact CA-O 3.29Å; F131-Y141 WeakPolarHBondContact CA-O 3.19Å; F131-Y141 VanDerWaalsContact CB-O 3.31Å; F131-Y141 WeakPolarHBondContact CB-O 3.32Å; F131-I142 HydrophobicContact CB-CB 3.93Å; F131-I142 HydrophobicContact CB-CD1 3.91Å; F131-I142 HydrophobicContact CB-CG1 3.88Å; F131-I142 HydrophobicContact CD1-CD1 4.17Å; F131-I142 HydrophobicContact CG-CD1 4.36Å; F131-I256 HydrophobicContact CZ-CD1 3.86Å; F131-I256 HydrophobicContact CZ-CG1 4.27Å; F131-V281 HydrophobicContact CD1-CB 4.23Å; F131-V281 HydrophobicContact CD1-CG1 4.12Å; F131-V281 HydrophobicContact CD2-CB 3.91Å; F131-V281 HydrophobicContact CD2-CG2 4.1Å; F131-V281 HydrophobicContact CE1-CB 4.06Å; F131-V281 HydrophobicContact CE1-CG1 3.63Å; F131-V281 HydrophobicContact CE2-CB 3.69Å; F131-V281 HydrophobicContact CE2-CG1 4.07Å; F131-V281 HydrophobicContact CE2-CG2 3.54Å; F131-V281 HydrophobicContact CG-CB 4.18Å; F131-V281 HydrophobicContact CZ-CB 3.79Å; F131-V281 HydrophobicContact CZ-CG1 3.61Å; F131-V281 HydrophobicContact CZ-CG2 3.85Å; F131-V281 PolarHBondContact N-O 2.86Å; F131-V281 PolarHBondContact O-N 2.91Å; F131-A283 HydrophobicContact CD1-CB 4.16Å; F131-A283 HydrophobicContact CE1-CB 3.69Å
132	A	98.4	Very high	96	Very high	1 Å²	1	43 Å²	43	1%	0.008	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	121	172	0	0	0	0	0	109.2	M73 F76 L140 Y141 L279	M73-A132 HydrophobicContact CE-CB 4.41Å; M73-A132 HydrophobicContact SD-CB 4.18Å; F76-A132 HydrophobicContact CE1-CB 4.26Å; A132-L140 PolarHBondContact O-N 3.3Å; A132-Y141 PolarHBondContact N-O 2.99Å; A132-Y141 PolarHBondContact O-N 3.14Å; A132-L279 CarbonylContact C-O 3.58Å; A132-L279 WeakPolarHBondContact CA-O 3.27Å
133	L	98.3	Very high	96.2	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	149	169.5	-56.6	-179.7	0	0	0	109.6	F131 K138 F139 V162 M174 L178 G278 L279	F131-L133 HydrophobicContact CD2-CD1 4.46Å; F131-L133 HydrophobicContact CD2-CD2 4.01Å; F131-L133 HydrophobicContact CD2-CG 3.82Å; F131-L133 HydrophobicContact CE2-CD1 3.86Å; F131-L133 HydrophobicContact CE2-CD2 4.16Å; F131-L133 HydrophobicContact CE2-CG 3.73Å; L133-K138 VanDerWaalsContact CA-O 3.31Å; L133-K138 WeakPolarHBondContact CA-O 3.46Å; L133-F139 HydrophobicContact CD2-CB 4.46Å; L133-F139 HydrophobicContact CD2-CD1 3.45Å; L133-F139 VanDerWaalsContact CD2-CD1 3.45Å; L133-F139 HydrophobicContact CD2-CD2 4.49Å; L133-F139 HydrophobicContact CD2-CE1 3.71Å; L133-F139 HydrophobicContact CD2-CG 3.88Å; L133-F139 HydrophobicContact CD2-CZ 4.35Å; L133-V162 HydrophobicContact CD1-CB 4.06Å; L133-V162 HydrophobicContact CD1-CG1 4.08Å; L133-V162 HydrophobicContact CD1-CG2 4.1Å; L133-V162 HydrophobicContact CD2-CB 4.12Å; L133-V162 HydrophobicContact CD2-CG2 4.48Å; L133-M174 HydrophobicContact CD1-CE 3.47Å; L133-M174 VanDerWaalsContact CD1-CE 3.47Å; L133-L178 HydrophobicContact CB-CD2 4.4Å; L133-L178 HydrophobicContact CD1-CD1 4.29Å; L133-L178 HydrophobicContact CD1-CD2 4.11Å; L133-G278 CarbonylContact O-C 3.12Å; L133-G278 VanDerWaalsContact O-CA 3.28Å; L133-G278 WeakPolarHBondContact O-CA 3.46Å; L133-L279 HydrophobicContact CB-CB 4.38Å; L133-L279 HydrophobicContact CD1-CD2 4.48Å; L133-L279 PolarHBondContact N-O 3.34Å; L133-L279 PolarHBondContact O-N 2.86Å
134	N	95.6	Very high	96.3	Very high	4 Å²	4	43.1 Å²	43.1	2%	0.021	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	179.9	164	77.8	-18.2	0	0	0	112.2	K72 E136 G137 K138 L140 M277	K72-N134 PolarHBondContact NZ-ND2 3.41Å; N134-E136 PolarHBondContact ND2-OE2 3.03Å; N134-E136 PolarHBondContact O-N 2.87Å; N134-E136 VanDerWaalsContact O-N 3.07Å; N134-E136 WeakPolarHBondContact OD1-CB 3.34Å; N134-E136 PolarHBondContact OD1-N 2.87Å; N134-E136 VanDerWaalsContact OD1-N 3.09Å; N134-G137 PolarHBondContact O-N 2.9Å; N134-G137 PolarHBondContact OD1-N 2.89Å; N134-K138 PolarHBondContact N-O 3.09Å; N134-K138 WeakPolarHBondContact OD1-CB 3.44Å; N134-K138 PolarHBondContact OD1-N 2.92Å; N134-L140 HydrophobicContact CB-CD1 3.91Å; N134-L140 HydrophobicContact CB-CD2 4Å; N134-L140 HydrophobicContact CB-CG 3.92Å; N134-M277 CarbonylContact C-O 3.59Å; N134-M277 VanDerWaalsContact CA-O 3.31Å; N134-M277 WeakPolarHBondContact CA-O 3.42Å
135	Q	92.3	Very high	96.5	Very high	83 Å²	83	36.5 Å²	36.5	39%	0.388	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-13.3	176.6	71.6	-79.4	-6.2	0	0	115.2	M180 M277	Q135-M180 WeakPolarHBondContact O-CE 3.38Å; Q135-M277 PolarHBondContact N-O 3.33Å; Q135-M277 PolarHBondContact OE1-O 2.84Å
136	E	94.5	Very high	96.7	Very high	82 Å²	82	31.7 Å²	31.7	38%	0.383	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	6.4	173	-61	119.4	-138.4	0	0	112.5	K72 N134 K138	K72-E136 IonicContact NZ-OE1 3.64Å; K72-E136 IonicContact NZ-OE2 3.9Å; K72-E136 PolarHBondContact NZ-OE2 2.84Å; N134-E136 PolarHBondContact ND2-OE2 3.03Å; N134-E136 PolarHBondContact O-N 2.87Å; N134-E136 VanDerWaalsContact O-N 3.07Å; N134-E136 WeakPolarHBondContact OD1-CB 3.34Å; N134-E136 PolarHBondContact OD1-N 2.87Å; N134-E136 VanDerWaalsContact OD1-N 3.09Å; E136-K138 HydrophobicContact CB-CG 4.34Å; E136-K138 PolarHBondContact O-N 2.81Å
137	G	96.3	Very high	96.7	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.159	C	C	.	.	S	Bend	trans	68	20.6	-176.8	0	0	0	0	0	113.6	N134 V162 M180	N134-G137 PolarHBondContact O-N 2.9Å; N134-G137 PolarHBondContact OD1-N 2.89Å; G137-V162 WeakPolarHBondContact O-CB 3.14Å; G137-V162 VanDerWaalsContact O-CG1 3.31Å; G137-V162 WeakPolarHBondContact O-CG1 3.36Å; G137-V162 PolarHBondContact O-N 2.82Å; G137-M180 VanDerWaalsContact N-CE 3.34Å
138	K	98.3	Very high	96.8	Very high	92 Å²	92	31.9 Å²	31.9	40%	0.4	16%	0.157	S	C	.	.	B	Isolated β-bridge	trans	-91.9	137.4	176.9	-63.2	-166.3	172	-149.6	0	111.4	L133 N134 E136 L140 S160	L133-K138 VanDerWaalsContact CA-O 3.31Å; L133-K138 WeakPolarHBondContact CA-O 3.46Å; N134-K138 PolarHBondContact N-O 3.09Å; N134-K138 WeakPolarHBondContact OD1-CB 3.44Å; N134-K138 PolarHBondContact OD1-N 2.92Å; E136-K138 HydrophobicContact CB-CG 4.34Å; E136-K138 PolarHBondContact O-N 2.81Å; K138-L140 PolarHBondContact O-N 2.81Å; K138-L140 VanDerWaalsContact O-N 3.08Å; K138-S160 WeakPolarHBondContact CA-O 3.18Å
139	F	98.6	Very high	96.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	107.8	174.5	-65.7	-76.9	0	0	0	110.5	F131 L133 I142 L157 G159 S160 V162 Y165 M235	F131-F139 HydrophobicContact CB-CD1 4.14Å; F131-F139 HydrophobicContact CB-CE1 4.26Å; F131-F139 HydrophobicContact CD1-CE1 4.38Å; F131-F139 HydrophobicContact CD2-CD1 4.28Å; F131-F139 HydrophobicContact CD2-CE1 4.02Å; F131-F139 HydrophobicContact CE2-CE1 4.4Å; F131-F139 HydrophobicContact CG-CD1 4.3Å; F131-F139 HydrophobicContact CG-CE1 4Å; L133-F139 HydrophobicContact CD2-CB 4.46Å; L133-F139 HydrophobicContact CD2-CD1 3.45Å; L133-F139 VanDerWaalsContact CD2-CD1 3.45Å; L133-F139 HydrophobicContact CD2-CD2 4.49Å; L133-F139 HydrophobicContact CD2-CE1 3.71Å; L133-F139 HydrophobicContact CD2-CG 3.88Å; L133-F139 HydrophobicContact CD2-CZ 4.35Å; F139-I142 HydrophobicContact CD1-CB 4.35Å; F139-I142 HydrophobicContact CD1-CD1 4.11Å; F139-I142 HydrophobicContact CE1-CD1 3.8Å; F139-I142 HydrophobicContact CZ-CD1 4.46Å; F139-L157 HydrophobicContact CD2-CB 4.35Å; F139-L157 HydrophobicContact CD2-CD2 4.39Å; F139-L157 WeakPolarHBondContact CD2-O 3.34Å; F139-L157 HydrophobicContact CE2-CD2 3.83Å; F139-L157 HydrophobicContact CZ-CD2 4.25Å; F139-G159 WeakPolarHBondContact O-CA 3.43Å; F139-G159 PolarHBondContact O-N 3.02Å; F139-S160 PolarHBondContact N-O 2.9Å; F139-S160 VanDerWaalsContact N-O 3.15Å; F139-V162 HydrophobicContact CE2-CB 4.24Å; F139-V162 HydrophobicContact CE2-CG2 4.42Å; F139-V162 HydrophobicContact CZ-CB 4.2Å; F139-V162 HydrophobicContact CZ-CG2 3.92Å; F139-Y165 HydrophobicContact CE2-CD2 4.23Å; F139-M235 HydrophobicContact CZ-CE 4.18Å
140	L	98.2	Very high	96.5	Very high	9 Å²	9	33.7 Å²	33.7	5%	0.047	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	-36.4	167.4	-61.8	-170.6	0	0	0	110.8	K72 M73 F76 A132 N134 K138	K72-L140 HydrophobicContact CB-CD2 3.57Å; K72-L140 HydrophobicContact CD-CD2 4.06Å; K72-L140 HydrophobicContact CG-CD2 4.48Å; M73-L140 HydrophobicContact CB-CB 4.03Å; M73-L140 HydrophobicContact CG-CB 4.45Å; M73-L140 HydrophobicContact SD-CB 3.79Å; F76-L140 HydrophobicContact CB-CD1 3.53Å; F76-L140 HydrophobicContact CD1-CD1 4.28Å; F76-L140 HydrophobicContact CD2-CD1 3.74Å; F76-L140 HydrophobicContact CE2-CD1 4.5Å; F76-L140 HydrophobicContact CG-CD1 3.62Å; A132-L140 PolarHBondContact O-N 3.3Å; N134-L140 HydrophobicContact CB-CD1 3.91Å; N134-L140 HydrophobicContact CB-CD2 4Å; N134-L140 HydrophobicContact CB-CG 3.92Å; K138-L140 PolarHBondContact O-N 2.81Å; K138-L140 VanDerWaalsContact O-N 3.08Å
141	Y	98.4	Very high	96.3	Very high	73 Å²	73	33.6 Å²	33.6	29%	0.286	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	147.8	175.5	169.7	-95.2	0	0	0	109.8	M73 V130 F131 A132	M73-Y141 VanDerWaalsContact CE-CB 3.42Å; M73-Y141 HydrophobicContact CE-CD1 4.4Å; M73-Y141 HydrophobicContact CE-CG 3.9Å; V130-Y141 HydrophobicContact CB-CE1 4.47Å; V130-Y141 HydrophobicContact CG1-CE1 4.43Å; F131-Y141 CarbonylContact C-O 3.52Å; F131-Y141 VanDerWaalsContact CA-O 3.29Å; F131-Y141 WeakPolarHBondContact CA-O 3.19Å; F131-Y141 VanDerWaalsContact CB-O 3.31Å; F131-Y141 WeakPolarHBondContact CB-O 3.32Å; A132-Y141 PolarHBondContact N-O 2.99Å; A132-Y141 PolarHBondContact O-N 3.14Å
142	I	98.5	Very high	96.1	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	145.7	162.6	-174	148.8	0	0	0	108.4	F129 V130 F131 F139 V146 Q154 L157	F129-I142 HydrophobicContact CD2-CD1 3.77Å; F129-I142 HydrophobicContact CD2-CG1 4.15Å; F129-I142 HydrophobicContact CE2-CD1 3.99Å; V130-I142 CarbonylContact O-C 3.55Å; V130-I142 VanDerWaalsContact O-CA 3.3Å; V130-I142 WeakPolarHBondContact O-CA 3.49Å; F131-I142 HydrophobicContact CB-CB 3.93Å; F131-I142 HydrophobicContact CB-CD1 3.91Å; F131-I142 HydrophobicContact CB-CG1 3.88Å; F131-I142 HydrophobicContact CD1-CD1 4.17Å; F131-I142 HydrophobicContact CG-CD1 4.36Å; F139-I142 HydrophobicContact CD1-CB 4.35Å; F139-I142 HydrophobicContact CD1-CD1 4.11Å; F139-I142 HydrophobicContact CE1-CD1 3.8Å; F139-I142 HydrophobicContact CZ-CD1 4.46Å; I142-V146 HydrophobicContact CD1-CB 4.15Å; I142-V146 HydrophobicContact CD1-CG1 4.4Å; I142-V146 HydrophobicContact CD1-CG2 3.94Å; I142-V146 HydrophobicContact CG1-CB 4.09Å; I142-V146 HydrophobicContact CG1-CG1 4.16Å; I142-V146 HydrophobicContact CG1-CG2 4.44Å; I142-Q154 HydrophobicContact CG2-CB 4.45Å; I142-Q154 HydrophobicContact CG2-CG 4.1Å; I142-Q154 WeakPolarHBondContact O-CG 3.4Å; I142-Q154 PolarHBondContact O-NE2 3.34Å; I142-L157 HydrophobicContact CD1-CD1 4.12Å; I142-L157 HydrophobicContact CG2-CB 3.91Å; I142-L157 HydrophobicContact CG2-CD1 4.48Å
143	S	98.2	Very high	96.1	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.189	C	C	.	.			trans	-73.1	148.6	178.3	61.2	0	0	0	0	111.9	F129 V130 T145 V146	F129-S143 WeakPolarHBondContact CA-OG 3.21Å; F129-S143 WeakPolarHBondContact CB-OG 3.43Å; V130-S143 PolarHBondContact N-OG 2.81Å; V130-S143 PolarHBondContact O-N 2.88Å; S143-T145 PolarHBondContact O-N 3Å; S143-T145 VanDerWaalsContact O-N 3.14Å; S143-T145 PolarHBondContact OG-OG1 3.06Å; S143-V146 VanDerWaalsContact O-CG1 3.28Å; S143-V146 WeakPolarHBondContact O-CG1 3.44Å; S143-V146 PolarHBondContact O-N 2.99Å; S143-V146 VanDerWaalsContact O-N 3.16Å
144	E	96.6	Very high	96	Very high	113 Å²	113	38.4 Å²	38.4	53%	0.528	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-24.9	176.7	64.2	-169.7	165	0	0	113.3	V146 S147	E144-V146 PolarHBondContact O-N 2.9Å; E144-V146 VanDerWaalsContact O-N 3.11Å; E144-S147 WeakPolarHBondContact O-CB 3.3Å; E144-S147 PolarHBondContact O-N 3.23Å; E144-S147 VanDerWaalsContact O-N 3.13Å; E144-S147 PolarHBondContact O-OG 3.25Å
145	T	97.1	Very high	96.1	Very high	12 Å²	12	39.3 Å²	39.3	7%	0.074	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-18.6	176.7	60.6	0	0	0	0	113.9	L123 G128 F129 S143 S147 I148 Y149	L123-T145 HydrophobicContact CB-CG2 4.15Å; G128-T145 PolarHBondContact O-OG1 3.45Å; F129-T145 WeakPolarHBondContact CA-OG1 3.48Å; F129-T145 WeakPolarHBondContact CB-OG1 3.4Å; S143-T145 PolarHBondContact O-N 3Å; S143-T145 VanDerWaalsContact O-N 3.14Å; S143-T145 PolarHBondContact OG-OG1 3.06Å; T145-S147 PolarHBondContact O-N 3.03Å; T145-S147 VanDerWaalsContact O-N 3.07Å; T145-I148 HydrophobicContact CG2-CD1 4.26Å; T145-I148 VanDerWaalsContact O-CB 3.3Å; T145-I148 WeakPolarHBondContact O-CB 3.37Å; T145-I148 PolarHBondContact O-N 3.2Å; T145-Y149 VanDerWaalsContact O-CD2 3.27Å; T145-Y149 WeakPolarHBondContact O-CD2 3.47Å
146	V	97.1	Very high	96.4	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-54.4	-28.9	172.4	71.2	0	0	0	0	112.6	F129 I142 S143 E144 I148 Y149 L150 L157	F129-V146 HydrophobicContact CB-CB 4.01Å; F129-V146 HydrophobicContact CD1-CB 4.47Å; F129-V146 HydrophobicContact CD1-CG2 4.27Å; F129-V146 HydrophobicContact CD2-CB 4.01Å; F129-V146 HydrophobicContact CD2-CG2 3.8Å; F129-V146 HydrophobicContact CE1-CG2 4.39Å; F129-V146 HydrophobicContact CE2-CG2 3.92Å; F129-V146 HydrophobicContact CG-CB 3.93Å; F129-V146 HydrophobicContact CG-CG2 3.98Å; F129-V146 HydrophobicContact CZ-CG2 4.22Å; I142-V146 HydrophobicContact CD1-CB 4.15Å; I142-V146 HydrophobicContact CD1-CG1 4.4Å; I142-V146 HydrophobicContact CD1-CG2 3.94Å; I142-V146 HydrophobicContact CG1-CB 4.09Å; I142-V146 HydrophobicContact CG1-CG1 4.16Å; I142-V146 HydrophobicContact CG1-CG2 4.44Å; S143-V146 VanDerWaalsContact O-CG1 3.28Å; S143-V146 WeakPolarHBondContact O-CG1 3.44Å; S143-V146 PolarHBondContact O-N 2.99Å; S143-V146 VanDerWaalsContact O-N 3.16Å; E144-V146 PolarHBondContact O-N 2.9Å; E144-V146 VanDerWaalsContact O-N 3.11Å; V146-I148 VanDerWaalsContact C-N 3.3Å; V146-I148 PolarHBondContact O-N 3.01Å; V146-Y149 PolarHBondContact O-N 2.85Å; V146-L150 HydrophobicContact CG2-CB 4.34Å; V146-L150 HydrophobicContact CG2-CD1 3.95Å; V146-L150 HydrophobicContact CG2-CG 4.39Å; V146-L150 PolarHBondContact O-N 2.91Å; V146-L157 HydrophobicContact CB-CD1 4.47Å; V146-L157 HydrophobicContact CG1-CD1 3.77Å; V146-L157 HydrophobicContact CG2-CD1 3.88Å
147	S	95.1	Very high	96.5	Very high	58 Å²	58	35.4 Å²	35.4	41%	0.406	19%	0.185	S	C	.	.	H	α-helix	trans	-63.7	-31.2	174.5	62.5	0	0	0	0	113.5	E144 T145 G151 L152	E144-S147 WeakPolarHBondContact O-CB 3.3Å; E144-S147 PolarHBondContact O-N 3.23Å; E144-S147 VanDerWaalsContact O-N 3.13Å; E144-S147 PolarHBondContact O-OG 3.25Å; T145-S147 PolarHBondContact O-N 3.03Å; T145-S147 VanDerWaalsContact O-N 3.07Å; S147-G151 WeakPolarHBondContact O-CA 3.28Å; S147-G151 PolarHBondContact O-N 3.25Å; S147-L152 VanDerWaalsContact CA-O 3.29Å; S147-L152 WeakPolarHBondContact CA-O 3.31Å; S147-L152 WeakPolarHBondContact CB-O 3.41Å; S147-L152 PolarHBondContact N-O 3.39Å
148	I	92.6	Very high	96.6	Very high	111 Å²	111	36.1 Å²	36.1	57%	0.569	19%	0.19	S	C	*	.	H	α-helix	trans	-71	-39.5	177	-52.4	172.9	0	0	0	110.3	T145 V146 L239	T145-I148 HydrophobicContact CG2-CD1 4.26Å; T145-I148 VanDerWaalsContact O-CB 3.3Å; T145-I148 WeakPolarHBondContact O-CB 3.37Å; T145-I148 PolarHBondContact O-N 3.2Å; V146-I148 VanDerWaalsContact C-N 3.3Å; V146-I148 PolarHBondContact O-N 3.01Å; I148-L239 WeakPolarHBondContact O-CD1 3.44Å
149	Y	92.3	Very high	96.6	Very high	38 Å²	38	32.2 Å²	32.2	15%	0.149	18%	0.176	C	C	.	.	H	α-helix	trans	-92.8	-32.3	-171.3	-65.4	-76	0	0	0	114.3	D127 G128 F129 T145 V146 L239 K252 A285	D127-Y149 WeakPolarHBondContact CA-OH 3.35Å; D127-Y149 VanDerWaalsContact OD1-CE1 3.27Å; D127-Y149 WeakPolarHBondContact OD1-CE1 3.43Å; D127-Y149 PolarHBondContact OD1-OH 3.37Å; G128-Y149 VanDerWaalsContact CA-CE2 3.47Å; G128-Y149 VanDerWaalsContact N-CZ 3.27Å; G128-Y149 PolarHBondContact N-OH 2.97Å; G128-Y149 VanDerWaalsContact N-OH 3.16Å; G128-Y149 WeakPolarHBondContact O-CE2 3.25Å; F129-Y149 HydrophobicContact CD1-CD2 4.17Å; F129-Y149 HydrophobicContact CD1-CG 4.33Å; T145-Y149 VanDerWaalsContact O-CD2 3.27Å; T145-Y149 WeakPolarHBondContact O-CD2 3.47Å; V146-Y149 PolarHBondContact O-N 2.85Å; Y149-L239 WeakPolarHBondContact O-CD1 3.36Å; Y149-K252 WeakPolarHBondContact O-CD 3.41Å; Y149-K252 WeakPolarHBondContact O-CE 3.23Å; Y149-K252 PolarHBondContact O-NZ 2.8Å; Y149-A285 HydrophobicContact CD1-CB 3.9Å; Y149-A285 HydrophobicContact CG-CB 4.28Å
150	L	93.4	Very high	96.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-121.8	-15.6	-178.4	-66.7	-179.3	0	0	0	114	F129 V146 L152 M235 K236 S237 T238 K252 I254	F129-L150 HydrophobicContact CE1-CD1 4.3Å; F129-L150 HydrophobicContact CE1-CG 4.42Å; F129-L150 HydrophobicContact CZ-CD1 3.91Å; V146-L150 HydrophobicContact CG2-CB 4.34Å; V146-L150 HydrophobicContact CG2-CD1 3.95Å; V146-L150 HydrophobicContact CG2-CG 4.39Å; V146-L150 PolarHBondContact O-N 2.91Å; L150-L152 HydrophobicContact CB-CB 4.45Å; L150-L152 HydrophobicContact CB-CD1 4.27Å; L150-L152 HydrophobicContact CB-CG 4.16Å; L150-L152 HydrophobicContact CD1-CD1 4.3Å; L150-L152 PolarHBondContact O-N 2.97Å; L150-M235 HydrophobicContact CD1-CB 3.92Å; L150-M235 HydrophobicContact CD1-CE 4.25Å; L150-M235 HydrophobicContact CD1-SD 4.32Å; L150-M235 HydrophobicContact CD2-CB 4.36Å; L150-K236 WeakPolarHBondContact CD2-O 3.35Å; L150-S237 CarbonylContact O-C 3.6Å; L150-S237 VanDerWaalsContact O-CA 3.28Å; L150-S237 WeakPolarHBondContact O-CA 3.18Å; L150-T238 PolarHBondContact O-N 2.94Å; L150-T238 PolarHBondContact O-OG1 2.9Å; L150-K252 HydrophobicContact CD2-CB 4.21Å; L150-K252 HydrophobicContact CD2-CD 4.34Å; L150-I254 HydrophobicContact CD2-CD1 4.01Å
151	G	94.1	Very high	96.6	Very high	28 Å²	28	33.7 Å²	33.7	29%	0.289	19%	0.187	S	C	.	.			trans	72.2	10.3	-174.3	0	0	0	0	0	114.4	S147 T238	S147-G151 WeakPolarHBondContact O-CA 3.28Å; S147-G151 PolarHBondContact O-N 3.25Å; G151-T238 VanDerWaalsContact CA-OG1 3.26Å; G151-T238 WeakPolarHBondContact CA-OG1 3.22Å; G151-T238 PolarHBondContact O-OG1 2.9Å
152	L	95.3	Very high	96.6	Very high	8 Å²	8	30.2 Å²	30.2	4%	0.042	17%	0.173	C	C	.	.			trans	-91.5	152.1	175.9	-63.1	177.2	0	0	0	110.9	S147 L150 L157 Y165 K236 T238	S147-L152 VanDerWaalsContact CA-O 3.29Å; S147-L152 WeakPolarHBondContact CA-O 3.31Å; S147-L152 WeakPolarHBondContact CB-O 3.41Å; S147-L152 PolarHBondContact N-O 3.39Å; L150-L152 HydrophobicContact CB-CB 4.45Å; L150-L152 HydrophobicContact CB-CD1 4.27Å; L150-L152 HydrophobicContact CB-CG 4.16Å; L150-L152 HydrophobicContact CD1-CD1 4.3Å; L150-L152 PolarHBondContact O-N 2.97Å; L152-L157 HydrophobicContact CB-CD1 3.77Å; L152-L157 HydrophobicContact CB-CG 4.36Å; L152-L157 HydrophobicContact CD1-CD1 4.39Å; L152-L157 HydrophobicContact CD1-CD2 4.24Å; L152-Y165 HydrophobicContact CD1-CD1 3.67Å; L152-Y165 HydrophobicContact CD1-CE1 4.2Å; L152-K236 HydrophobicContact CD1-CB 4.42Å; L152-K236 WeakPolarHBondContact CD1-O 3.36Å; L152-T238 HydrophobicContact CD2-CG2 3.82Å
153	S	96.7	Very high	96.6	Very high	56 Å²	56	32.4 Å²	32.4	39%	0.392	18%	0.183	S	C	.	.			trans	-91	139.3	-178.9	179.5	0	0	0	0	112.6	V155 E156 L157	S153-V155 PolarHBondContact O-N 3.38Å; S153-V155 PolarHBondContact OG-N 3.21Å; S153-E156 WeakPolarHBondContact O-CB 3.36Å; S153-E156 PolarHBondContact O-N 3.13Å; S153-L157 PolarHBondContact O-N 2.88Å
154	Q	97.8	Very high	96.6	Very high	39 Å²	39	36.5 Å²	36.5	18%	0.182	21%	0.205	C	C	.	.	H	α-helix	trans	-52.7	-39.1	168.9	177.6	-171.7	58.8	0	0	111.9	I142 E156 L157 T158	I142-Q154 HydrophobicContact CG2-CB 4.45Å; I142-Q154 HydrophobicContact CG2-CG 4.1Å; I142-Q154 WeakPolarHBondContact O-CG 3.4Å; I142-Q154 PolarHBondContact O-NE2 3.34Å; Q154-E156 VanDerWaalsContact C-N 3.31Å; Q154-E156 PolarHBondContact O-N 2.64Å; Q154-L157 PolarHBondContact O-N 2.84Å; Q154-T158 VanDerWaalsContact O-CB 3.28Å; Q154-T158 WeakPolarHBondContact O-CB 3.07Å; Q154-T158 PolarHBondContact O-N 3.4Å; Q154-T158 PolarHBondContact O-OG1 2.99Å
155	V	97.7	Very high	96.7	Very high	23 Å²	23	32.2 Å²	32.2	14%	0.139	18%	0.184	C	C	.	.	H	α-helix	trans	-68.4	-29.7	178.5	166.6	0	0	0	0	112.1	L50 I54 L58 R65 L66 S153	L50-V155 HydrophobicContact CD1-CG2 4.05Å; I54-V155 HydrophobicContact CG2-CG2 3.93Å; L58-V155 HydrophobicContact CD2-CG1 3.55Å; L58-V155 HydrophobicContact CD2-CG2 4.48Å; R65-V155 PolarHBondContact NH1-O 3.05Å; R65-V155 VanDerWaalsContact NH1-O 3.13Å; R65-V155 PolarHBondContact NH2-O 2.76Å; L66-V155 HydrophobicContact CD1-CG1 4.31Å; S153-V155 PolarHBondContact O-N 3.38Å; S153-V155 PolarHBondContact OG-N 3.21Å
156	E	97	Very high	96.7	Very high	83 Å²	83	31.8 Å²	31.8	39%	0.388	18%	0.181	S	C	.	.	H	α-helix	trans	-78.1	-42.5	176.6	-168.1	-160.1	153.8	0	0	111.1	R65 S153 Q154 S160 Y165	R65-E156 PolarHBondContact NH1-O 2.98Å; S153-E156 WeakPolarHBondContact O-CB 3.36Å; S153-E156 PolarHBondContact O-N 3.13Å; Q154-E156 VanDerWaalsContact C-N 3.31Å; Q154-E156 PolarHBondContact O-N 2.64Å; E156-S160 PolarHBondContact O-OG 2.89Å; E156-Y165 WeakPolarHBondContact OE1-CE1 3.36Å; E156-Y165 PolarHBondContact OE1-OH 2.98Å
157	L	98.3	Very high	96.7	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-75.5	-40.8	-176.5	-72.7	160.6	0	0	0	113.6	F139 I142 V146 L152 S153 Q154 G159 S160 Y165	F139-L157 HydrophobicContact CD2-CB 4.35Å; F139-L157 HydrophobicContact CD2-CD2 4.39Å; F139-L157 WeakPolarHBondContact CD2-O 3.34Å; F139-L157 HydrophobicContact CE2-CD2 3.83Å; F139-L157 HydrophobicContact CZ-CD2 4.25Å; I142-L157 HydrophobicContact CD1-CD1 4.12Å; I142-L157 HydrophobicContact CG2-CB 3.91Å; I142-L157 HydrophobicContact CG2-CD1 4.48Å; V146-L157 HydrophobicContact CB-CD1 4.47Å; V146-L157 HydrophobicContact CG1-CD1 3.77Å; V146-L157 HydrophobicContact CG2-CD1 3.88Å; L152-L157 HydrophobicContact CB-CD1 3.77Å; L152-L157 HydrophobicContact CB-CG 4.36Å; L152-L157 HydrophobicContact CD1-CD1 4.39Å; L152-L157 HydrophobicContact CD1-CD2 4.24Å; S153-L157 PolarHBondContact O-N 2.88Å; Q154-L157 PolarHBondContact O-N 2.84Å; L157-G159 PolarHBondContact O-N 2.84Å; L157-S160 VanDerWaalsContact O-CB 3.27Å; L157-S160 WeakPolarHBondContact O-CB 3.47Å; L157-S160 PolarHBondContact O-N 3Å; L157-S160 PolarHBondContact O-OG 3.22Å; L157-Y165 HydrophobicContact CD2-CD1 3.66Å; L157-Y165 HydrophobicContact CD2-CD2 3.63Å; L157-Y165 HydrophobicContact CD2-CE1 3.74Å; L157-Y165 HydrophobicContact CD2-CE2 3.74Å; L157-Y165 HydrophobicContact CD2-CG 3.6Å
158	T	98.6	Very high	96.7	Very high	15 Å²	15	35.7 Å²	35.7	9%	0.092	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	122.3	-172.6	-58.7	0	0	0	0	112	R65 L66 Q154 S160	R65-T158 PolarHBondContact NH1-O 3.09Å; L66-T158 HydrophobicContact CD2-CG2 3.78Å; Q154-T158 VanDerWaalsContact O-CB 3.28Å; Q154-T158 WeakPolarHBondContact O-CB 3.07Å; Q154-T158 PolarHBondContact O-N 3.4Å; Q154-T158 PolarHBondContact O-OG1 2.99Å; T158-S160 VanDerWaalsContact C-N 3.31Å; T158-S160 PolarHBondContact O-N 2.8Å
159	G	98.1	Very high	96.8	Very high	10 Å²	10	33.2 Å²	33.2	10%	0.103	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.8	-8.8	-176.5	0	0	0	0	0	116.1	S69 F139 L157	S69-G159 WeakPolarHBondContact OG-CA 3.27Å; S69-G159 PolarHBondContact OG-N 2.81Å; F139-G159 WeakPolarHBondContact O-CA 3.43Å; F139-G159 PolarHBondContact O-N 3.02Å; L157-G159 PolarHBondContact O-N 2.84Å
160	S	98.4	Very high	97.1	Very high	19 Å²	19	31.5 Å²	31.5	13%	0.133	20%	0.195	C	C	.	.	S	Bend	trans	-81.6	165.8	173	-51.9	0	0	0	0	110.3	R65 K138 F139 E156 L157 T158	R65-S160 PolarHBondContact NH1-OG 3.43Å; K138-S160 WeakPolarHBondContact CA-O 3.18Å; F139-S160 PolarHBondContact N-O 2.9Å; F139-S160 VanDerWaalsContact N-O 3.15Å; E156-S160 PolarHBondContact O-OG 2.89Å; L157-S160 VanDerWaalsContact O-CB 3.27Å; L157-S160 WeakPolarHBondContact O-CB 3.47Å; L157-S160 PolarHBondContact O-N 3Å; L157-S160 PolarHBondContact O-OG 3.22Å; T158-S160 VanDerWaalsContact C-N 3.31Å; T158-S160 PolarHBondContact O-N 2.8Å
161	S	98.3	Very high	97.2	Very high	21 Å²	21	34.1 Å²	34.1	15%	0.147	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-83.4	144.6	177.1	-167.4	0	0	0	0	110.9	F163 D164 Y165	S161-F163 PolarHBondContact O-N 3.09Å; S161-F163 WeakPolarHBondContact OG-CD2 3.36Å; S161-D164 WeakPolarHBondContact CA-OD2 3.48Å; S161-D164 WeakPolarHBondContact CB-OD2 3.46Å; S161-D164 PolarHBondContact N-OD2 2.88Å; S161-D164 WeakPolarHBondContact O-CB 3.47Å; S161-D164 PolarHBondContact O-N 3.01Å; S161-Y165 WeakPolarHBondContact O-CD2 3.44Å
162	V	98.4	Very high	97.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-58.9	-37.3	172.7	70.8	0	0	0	0	111.2	L133 G137 F139 D164 Y165 V166 M174 L178	L133-V162 HydrophobicContact CD1-CB 4.06Å; L133-V162 HydrophobicContact CD1-CG1 4.08Å; L133-V162 HydrophobicContact CD1-CG2 4.1Å; L133-V162 HydrophobicContact CD2-CB 4.12Å; L133-V162 HydrophobicContact CD2-CG2 4.48Å; G137-V162 WeakPolarHBondContact O-CB 3.14Å; G137-V162 VanDerWaalsContact O-CG1 3.31Å; G137-V162 WeakPolarHBondContact O-CG1 3.36Å; G137-V162 PolarHBondContact O-N 2.82Å; F139-V162 HydrophobicContact CE2-CB 4.24Å; F139-V162 HydrophobicContact CE2-CG2 4.42Å; F139-V162 HydrophobicContact CZ-CB 4.2Å; F139-V162 HydrophobicContact CZ-CG2 3.92Å; V162-D164 PolarHBondContact O-N 3.15Å; V162-Y165 PolarHBondContact O-N 3.39Å; V162-V166 HydrophobicContact CG2-CG2 3.79Å; V162-V166 WeakPolarHBondContact O-CG2 3.28Å; V162-V166 PolarHBondContact O-N 2.9Å; V162-M174 HydrophobicContact CG1-CE 4.18Å; V162-M174 HydrophobicContact CG1-CG 4.18Å; V162-M174 HydrophobicContact CG2-CE 4.1Å; V162-M174 HydrophobicContact CG2-SD 4.49Å; V162-L178 HydrophobicContact CG1-CD1 4.38Å
163	F	98.2	Very high	97.4	Very high	46 Å²	46	39 Å²	39	20%	0.202	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-64.4	-22.5	179.5	-56.9	-72.9	0	0	0	113.3	S161 Y165 H171 M174 A175 L178 M180	S161-F163 PolarHBondContact O-N 3.09Å; S161-F163 WeakPolarHBondContact OG-CD2 3.36Å; F163-Y165 PolarHBondContact O-N 3.07Å; F163-H171 HydrophobicContact CD1-CB 4.12Å; F163-H171 AromaticContact CD1-CG 3.88Å; F163-H171 HydrophobicContact CE1-CB 4.49Å; F163-H171 WeakPolarHBondContact CE1-O 3.47Å; F163-H171 PolarHBondContact O-CE1 2.92Å; F163-H171 PolarHBondContact O-NE2 2.98Å; F163-M174 HydrophobicContact CE1-CB 3.91Å; F163-M174 HydrophobicContact CE1-CG 3.88Å; F163-M174 HydrophobicContact CZ-CG 4.33Å; F163-A175 HydrophobicContact CE1-CB 4.23Å; F163-A175 HydrophobicContact CZ-CB 4.06Å; F163-L178 HydrophobicContact CZ-CD1 4.14Å; F163-M180 HydrophobicContact CE2-CE 4.08Å; F163-M180 HydrophobicContact CE2-SD 3.88Å; F163-M180 HydrophobicContact CZ-CE 4.41Å; F163-M180 HydrophobicContact CZ-SD 3.76Å
164	D	98	Very high	97.3	Very high	87 Å²	87	36.3 Å²	36.3	47%	0.465	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-66.4	-21.5	172.8	-57.8	-43.3	0	0	0	111.8	S161 V162 K236	S161-D164 WeakPolarHBondContact CA-OD2 3.48Å; S161-D164 WeakPolarHBondContact CB-OD2 3.46Å; S161-D164 PolarHBondContact N-OD2 2.88Å; S161-D164 WeakPolarHBondContact O-CB 3.47Å; S161-D164 PolarHBondContact O-N 3.01Å; V162-D164 PolarHBondContact O-N 3.15Å; D164-K236 WeakPolarHBondContact O-CE 3.5Å; D164-K236 PolarHBondContact O-NZ 2.77Å
165	Y	97.9	Very high	97.2	Very high	23 Å²	23	34.6 Å²	34.6	9%	0.09	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.1	-13	-174.5	-60.9	-87.7	0	0	0	114.5	F139 L152 E156 L157 S161 V162 F163 M235 K236	F139-Y165 HydrophobicContact CE2-CD2 4.23Å; L152-Y165 HydrophobicContact CD1-CD1 3.67Å; L152-Y165 HydrophobicContact CD1-CE1 4.2Å; E156-Y165 WeakPolarHBondContact OE1-CE1 3.36Å; E156-Y165 PolarHBondContact OE1-OH 2.98Å; L157-Y165 HydrophobicContact CD2-CD1 3.66Å; L157-Y165 HydrophobicContact CD2-CD2 3.63Å; L157-Y165 HydrophobicContact CD2-CE1 3.74Å; L157-Y165 HydrophobicContact CD2-CE2 3.74Å; L157-Y165 HydrophobicContact CD2-CG 3.6Å; S161-Y165 WeakPolarHBondContact O-CD2 3.44Å; V162-Y165 PolarHBondContact O-N 3.39Å; F163-Y165 PolarHBondContact O-N 3.07Å; Y165-M235 CarbonylContact O-C 3.03Å; Y165-M235 WeakPolarHBondContact O-CA 3.45Å; Y165-K236 WeakPolarHBondContact O-CG 3.44Å; Y165-K236 PolarHBondContact O-N 2.9Å
166	V	98.1	Very high	97	Very high	2 Å²	2	40 Å²	40	1%	0.012	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-87.4	145.8	174	178.9	0	0	0	0	110.3	V162 D170 H171 I233 R234 M235	V162-V166 HydrophobicContact CG2-CG2 3.79Å; V162-V166 WeakPolarHBondContact O-CG2 3.28Å; V162-V166 PolarHBondContact O-N 2.9Å; V166-D170 HydrophobicContact CG1-CB 3.87Å; V166-H171 PolarHBondContact O-NE2 2.83Å; V166-I233 HydrophobicContact CG1-CB 4.26Å; V166-I233 HydrophobicContact CG1-CD1 4.19Å; V166-I233 HydrophobicContact CG2-CD1 3.58Å; V166-R234 CarbonylContact C-O 3.53Å; V166-R234 WeakPolarHBondContact CA-O 3.49Å; V166-M235 HydrophobicContact CG2-CG 4.31Å
167	H	96.6	Very high	96.8	Very high	54 Å²	54	38.2 Å²	38.2	25%	0.25	22%	0.218	C	C	.	.			trans	-60.2	133	174.9	-179.2	-103.7	0	0	0	111.1	G169 D170 H171 R234 Y251	H167-G169 PolarHBondContact ND1-N 3.36Å; H167-G169 PolarHBondContact O-N 2.86Å; H167-G169 VanDerWaalsContact O-N 3.08Å; H167-D170 IonicContact ND1-OD1 3.04Å; H167-D170 PolarHBondContact O-N 3.19Å; H167-H171 PolarHBondContact O-CD2 3.21Å; H167-R234 HydrophobicContact CB-CB 3.65Å; H167-R234 WeakPolarHBondContact CB-O 3.45Å; H167-R234 PolarHBondContact N-O 3Å; H167-Y251 HydrophobicContact CB-CD1 3.86Å; H167-Y251 HydrophobicContact CB-CE1 3.73Å; H167-Y251 HydrophobicContact CB-CG 4.49Å; H167-Y251 AromaticContact CD2-CE2 3.86Å; H167-Y251 AromaticContact CD2-CZ 3.94Å
168	P	95.9	Very high	96.5	Very high	86 Å²	86	38.5 Å²	38.5	56%	0.558	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-55.3	-31.8	-174.9	-30.2	36.9	0	0	0	115.5	D170 H171	P168-D170 PolarHBondContact O-N 2.94Å; P168-H171 WeakPolarHBondContact O-CB 3.43Å; P168-H171 PolarHBondContact O-N 2.87Å
169	G	94.8	Very high	96	Very high	59 Å²	59	39.7 Å²	39.7	61%	0.608	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-64.9	-16.1	175.6	0	0	0	0	0	114.7	H167	H167-G169 PolarHBondContact ND1-N 3.36Å; H167-G169 PolarHBondContact O-N 2.86Å; H167-G169 VanDerWaalsContact O-N 3.08Å
170	D	97	Very high	95.5	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.011	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-108.8	2	-174.7	-47.6	-3	0	0	0	110.9	V166 H167 P168 M174 I233 R234	V166-D170 HydrophobicContact CG1-CB 3.87Å; H167-D170 IonicContact ND1-OD1 3.04Å; H167-D170 PolarHBondContact O-N 3.19Å; P168-D170 PolarHBondContact O-N 2.94Å; D170-M174 WeakPolarHBondContact O-CB 3.47Å; D170-M174 PolarHBondContact O-N 3.08Å; D170-I233 HydrophobicContact CB-CB 4.38Å; D170-I233 HydrophobicContact CB-CG2 4.29Å; D170-R234 IonicContact OD1-CZ 3.85Å; D170-R234 VanDerWaalsContact OD1-CZ 3.28Å; D170-R234 IonicContact OD1-NE 2.74Å; D170-R234 PolarHBondContact OD1-NE 2.91Å; D170-R234 VanDerWaalsContact OD1-NE 3.13Å; D170-R234 IonicContact OD1-NH2 2.84Å; D170-R234 PolarHBondContact OD1-NH2 2.87Å; D170-R234 VanDerWaalsContact OD2-CB 3.25Å; D170-R234 WeakPolarHBondContact OD2-CB 3.25Å; D170-R234 WeakPolarHBondContact OD2-CG 3.21Å; D170-R234 IonicContact OD2-CZ 2.83Å; D170-R234 PolarHBondContact OD2-N 3.29Å; D170-R234 IonicContact OD2-NE 3.58Å; D170-R234 PolarHBondContact OD2-NE 2.94Å; D170-R234 IonicContact OD2-NH2 3.4Å
171	H	97.1	Very high	94.1	Very high	55 Å²	55	50.6 Å²	50.6	26%	0.255	28%	0.278	S	S	.	.	H	α-helix	trans	-66.6	-36.7	-176.8	-76.5	-166.1	0	0	0	113	F163 V166 H167 P168 A175	F163-H171 HydrophobicContact CD1-CB 4.12Å; F163-H171 AromaticContact CD1-CG 3.88Å; F163-H171 HydrophobicContact CE1-CB 4.49Å; F163-H171 WeakPolarHBondContact CE1-O 3.47Å; F163-H171 PolarHBondContact O-CE1 2.92Å; F163-H171 PolarHBondContact O-NE2 2.98Å; V166-H171 PolarHBondContact O-NE2 2.83Å; H167-H171 PolarHBondContact O-CD2 3.21Å; P168-H171 WeakPolarHBondContact O-CB 3.43Å; P168-H171 PolarHBondContact O-N 2.87Å; H171-A175 WeakPolarHBondContact O-CB 3.31Å; H171-A175 PolarHBondContact O-N 2.82Å
172	V	96	Very high	92.2	Very high	92 Å²	92	53.9 Å²	53.9	56%	0.558	29%	0.294	S	S	*	.	H	α-helix	trans	-65.1	-49.1	178.4	173.2	0	0	0	0	110.4	A175 E176 L182	V172-A175 PolarHBondContact O-N 2.97Å; V172-E176 PolarHBondContact O-N 2.73Å; V172-L182 HydrophobicContact CB-CD1 4.33Å; V172-L182 HydrophobicContact CG1-CD1 3.82Å; V172-L182 HydrophobicContact CG2-CD1 4.4Å
173	E	95.7	Very high	89.7	Confident	47 Å²	47	59.1 Å²	59.1	22%	0.22	33%	0.328	C	S	.	.	H	α-helix	trans	-59.5	-49	176.1	-176.7	-177.1	152.2	0	0	111.3	A175 E176 Q177 K356	E173-A175 VanDerWaalsContact C-N 3.27Å; E173-A175 PolarHBondContact O-N 2.98Å; E173-E176 PolarHBondContact O-N 2.91Å; E173-Q177 HydrophobicContact CG-CG 4.33Å; E173-Q177 WeakPolarHBondContact O-CB 3.33Å; E173-Q177 WeakPolarHBondContact O-CG 3.48Å; E173-Q177 PolarHBondContact O-N 2.93Å; E173-K356 IonicContact OE1-NZ 3.94Å; E173-K356 PolarHBondContact OE1-NZ 3.09Å; E173-K356 WeakPolarHBondContact OE2-CE 3.33Å; E173-K356 IonicContact OE2-NZ 3.98Å; E173-K356 PolarHBondContact OE2-NZ 2.94Å
174	M	95.9	Very high	86.9	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-59	-37.4	177.9	-174.5	71.5	-149.8	0	0	112.5	L133 V162 F163 D170 L178 F231 I233 I256 L279	L133-M174 HydrophobicContact CD1-CE 3.47Å; L133-M174 VanDerWaalsContact CD1-CE 3.47Å; V162-M174 HydrophobicContact CG1-CE 4.18Å; V162-M174 HydrophobicContact CG1-CG 4.18Å; V162-M174 HydrophobicContact CG2-CE 4.1Å; V162-M174 HydrophobicContact CG2-SD 4.49Å; F163-M174 HydrophobicContact CE1-CB 3.91Å; F163-M174 HydrophobicContact CE1-CG 3.88Å; F163-M174 HydrophobicContact CZ-CG 4.33Å; D170-M174 WeakPolarHBondContact O-CB 3.47Å; D170-M174 PolarHBondContact O-N 3.08Å; M174-L178 HydrophobicContact CE-CD1 3.73Å; M174-L178 HydrophobicContact CE-CG 4.02Å; M174-L178 HydrophobicContact CG-CD1 4.3Å; M174-L178 WeakPolarHBondContact O-CB 3.41Å; M174-L178 WeakPolarHBondContact O-CD1 3.31Å; M174-L178 WeakPolarHBondContact O-CG 3.48Å; M174-L178 PolarHBondContact O-N 3.16Å; M174-L178 VanDerWaalsContact O-N 3.16Å; M174-F231 HydrophobicContact CE-CZ 4.23Å; M174-F231 HydrophobicContact SD-CE2 3.68Å; M174-F231 HydrophobicContact SD-CZ 3.76Å; M174-I233 HydrophobicContact SD-CD1 3.72Å; M174-I256 HydrophobicContact SD-CD1 4.32Å; M174-L279 HydrophobicContact CE-CD2 4.2Å
175	A	94.8	Very high	84.4	Confident	2 Å²	2	62.9 Å²	62.9	2%	0.017	37%	0.374	C	S	.	.	H	α-helix	trans	-70.4	-41.8	176.9	0	0	0	0	0	112.5	F163 H171 V172 E173 L178 G179 M180 L182	F163-A175 HydrophobicContact CE1-CB 4.23Å; F163-A175 HydrophobicContact CZ-CB 4.06Å; H171-A175 WeakPolarHBondContact O-CB 3.31Å; H171-A175 PolarHBondContact O-N 2.82Å; V172-A175 PolarHBondContact O-N 2.97Å; E173-A175 VanDerWaalsContact C-N 3.27Å; E173-A175 PolarHBondContact O-N 2.98Å; A175-L178 PolarHBondContact O-N 3.26Å; A175-G179 PolarHBondContact O-N 3.02Å; A175-M180 HydrophobicContact CB-CB 4.16Å; A175-M180 HydrophobicContact CB-SD 4.18Å; A175-M180 WeakPolarHBondContact O-CB 3.25Å; A175-M180 PolarHBondContact O-N 3.45Å; A175-L182 HydrophobicContact CB-CD1 4.26Å; A175-L182 HydrophobicContact CB-CD2 3.78Å; A175-L182 HydrophobicContact CB-CG 4.08Å
176	E	93	Very high	81.7	Confident	137 Å²	137	73.5 Å²	73.5	64%	0.64	41%	0.414	S	S	*	.	H	α-helix	trans	-61.8	-47	174.8	-175.7	-179.7	171.7	0	0	111.6	V172 E173 L178 G179	V172-E176 PolarHBondContact O-N 2.73Å; E173-E176 PolarHBondContact O-N 2.91Å; E176-L178 PolarHBondContact O-N 2.84Å; E176-G179 WeakPolarHBondContact O-CA 3.31Å; E176-G179 PolarHBondContact O-N 3.15Å
177	Q	93.9	Very high	78.6	Confident	46 Å²	46	77 Å²	77	22%	0.215	45%	0.451	C	S	.	.	H	α-helix	trans	-61.9	-30.5	177.1	-63	-75.2	-11	0	0	111.9	E173 G179 R229 F231	E173-Q177 HydrophobicContact CG-CG 4.33Å; E173-Q177 WeakPolarHBondContact O-CB 3.33Å; E173-Q177 WeakPolarHBondContact O-CG 3.48Å; E173-Q177 PolarHBondContact O-N 2.93Å; Q177-G179 VanDerWaalsContact C-N 3.32Å; Q177-R229 WeakPolarHBondContact O-CD 3.37Å; Q177-R229 PolarHBondContact O-NE 2.89Å; Q177-F231 HydrophobicContact CB-CD1 4.07Å; Q177-F231 HydrophobicContact CB-CE1 3.63Å; Q177-F231 HydrophobicContact CB-CE2 4.12Å; Q177-F231 HydrophobicContact CB-CZ 3.67Å; Q177-F231 HydrophobicContact CG-CB 4.43Å; Q177-F231 HydrophobicContact CG-CD1 3.72Å; Q177-F231 HydrophobicContact CG-CD2 3.87Å; Q177-F231 HydrophobicContact CG-CE1 3.81Å; Q177-F231 HydrophobicContact CG-CE2 3.95Å; Q177-F231 HydrophobicContact CG-CG 3.77Å; Q177-F231 HydrophobicContact CG-CZ 3.92Å
178	L	92.4	Very high	75.8	Confident	5 Å²	5	82 Å²	82	3%	0.026	48%	0.479	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-9.1	171.7	-80.9	164.3	0	0	0	114.4	L133 V162 F163 M174 A175 E176 M180 L279	L133-L178 HydrophobicContact CB-CD2 4.4Å; L133-L178 HydrophobicContact CD1-CD1 4.29Å; L133-L178 HydrophobicContact CD1-CD2 4.11Å; V162-L178 HydrophobicContact CG1-CD1 4.38Å; F163-L178 HydrophobicContact CZ-CD1 4.14Å; M174-L178 HydrophobicContact CE-CD1 3.73Å; M174-L178 HydrophobicContact CE-CG 4.02Å; M174-L178 HydrophobicContact CG-CD1 4.3Å; M174-L178 WeakPolarHBondContact O-CB 3.41Å; M174-L178 WeakPolarHBondContact O-CD1 3.31Å; M174-L178 WeakPolarHBondContact O-CG 3.48Å; M174-L178 PolarHBondContact O-N 3.16Å; M174-L178 VanDerWaalsContact O-N 3.16Å; A175-L178 PolarHBondContact O-N 3.26Å; E176-L178 PolarHBondContact O-N 2.84Å; L178-M180 VanDerWaalsContact C-N 3.33Å; L178-M180 HydrophobicContact CB-CE 4.28Å; L178-M180 HydrophobicContact CB-CG 3.93Å; L178-M180 HydrophobicContact CB-SD 4.2Å; L178-M180 HydrophobicContact CD1-CE 3.8Å; L178-M180 HydrophobicContact CD1-SD 4.13Å; L178-L279 HydrophobicContact CD2-CB 3.75Å; L178-L279 HydrophobicContact CD2-CD2 4.32Å
179	G	88.6	Confident	72.9	Confident	41 Å²	41	86.5 Å²	86.5	42%	0.423	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.9	20.9	-174.2	0	0	0	0	0	114	A175 E176 Q177	A175-G179 PolarHBondContact O-N 3.02Å; E176-G179 WeakPolarHBondContact O-CA 3.31Å; E176-G179 PolarHBondContact O-N 3.15Å; Q177-G179 VanDerWaalsContact C-N 3.32Å
180	M	87.6	Confident	69.9	Low	50 Å²	50	88.7 Å²	88.7	25%	0.246	50%	0.503	C	S	.	.			trans	-76.4	126.5	179.1	-65.4	176.1	166.3	0	0	110.8	Q135 G137 F163 A175 L178 L182	Q135-M180 WeakPolarHBondContact O-CE 3.38Å; G137-M180 VanDerWaalsContact N-CE 3.34Å; F163-M180 HydrophobicContact CE2-CE 4.08Å; F163-M180 HydrophobicContact CE2-SD 3.88Å; F163-M180 HydrophobicContact CZ-CE 4.41Å; F163-M180 HydrophobicContact CZ-SD 3.76Å; A175-M180 HydrophobicContact CB-CB 4.16Å; A175-M180 HydrophobicContact CB-SD 4.18Å; A175-M180 WeakPolarHBondContact O-CB 3.25Å; A175-M180 PolarHBondContact O-N 3.45Å; L178-M180 VanDerWaalsContact C-N 3.33Å; L178-M180 HydrophobicContact CB-CE 4.28Å; L178-M180 HydrophobicContact CB-CG 3.93Å; L178-M180 HydrophobicContact CB-SD 4.2Å; L178-M180 HydrophobicContact CD1-CE 3.8Å; L178-M180 HydrophobicContact CD1-SD 4.13Å; M180-L182 PolarHBondContact O-N 3.15Å
181	K	68.7	Low	66.8	Low	208 Å²	208	98.1 Å²	98.1	90%	0.904	55%	0.547	S	S	*	.			trans	-70.9	94.3	168.4	-68.9	-173.7	178.7	-177.3	0	109.6
182	L	58.4	Low	63.5	Low	89 Å²	89	99.1 Å²	99.1	47%	0.466	57%	0.572	S	S	.	*			trans	-58.8	138.4	166.6	-68.8	172.4	0	0	0	109.6	V172 A175 M180	V172-L182 HydrophobicContact CB-CD1 4.33Å; V172-L182 HydrophobicContact CG1-CD1 3.82Å; V172-L182 HydrophobicContact CG2-CD1 4.4Å; A175-L182 HydrophobicContact CB-CD1 4.26Å; A175-L182 HydrophobicContact CB-CD2 3.78Å; A175-L182 HydrophobicContact CB-CG 4.08Å; M180-L182 PolarHBondContact O-N 3.15Å
183	P	45.6	Very low	60.3	Low	111 Å²	111	101.6 Å²	101.6	72%	0.721	59%	0.587	S	S	*	*			trans	-59.6	131.8	173.8	-23.7	34.1	0	0	0	110.8	G185	P183-G185 PolarHBondContact O-N 3.12Å
184	P	38.9	Very low	57.1	Low	140 Å²	140	103.6 Å²	103.6	91%	0.909	61%	0.612	S	S	*	*	S	Bend	trans	-68.9	101.8	177	28	-33.4	0	0	0	109.6
185	G	45	Very low	54.1	Low	71 Å²	71	113 Å²	113	73%	0.732	66%	0.656	S	S	*	*			trans	140.6	47.5	175.5	0	0	0	0	0	117.3	P183	P183-G185 PolarHBondContact O-N 3.12Å
186	R	41.3	Very low	51	Low	247 Å²	247	121.4 Å²	121.4	93%	0.932	70%	0.701	S	S	*	*			trans	-151.6	53.7	157.3	-125	173.1	-163.8	-98.6	-1.8	113.8
187	G	34.2	Very low	48.1	Very low	76 Å²	76	118.6 Å²	118.6	78%	0.784	71%	0.708	S	S	*	*			trans	-64.8	133.7	170.9	0	0	0	0	0	112.3
188	L	37.9	Very low	45.2	Very low	158 Å²	158	121 Å²	121	83%	0.827	74%	0.736	S	S	*	*			trans	9.3	111.1	154.8	-153.6	72.1	0	0	0	118	S190	L188-S190 PolarHBondContact O-N 3.42Å
189	L	34.1	Very low	42.5	Very low	181 Å²	181	125.9 Å²	125.9	95%	0.948	77%	0.77	S	S	*	*			trans	-75.1	97.2	155.5	-76.5	172.3	0	0	0	108.6
190	S	31.9	Very low	39.8	Very low	105 Å²	105	129.3 Å²	129.3	73%	0.734	79%	0.788	S	S	*	*			trans	-93.1	147.9	160.8	-166	0	0	0	0	109.5	L188	L188-S190 PolarHBondContact O-N 3.42Å
191	Q	32.8	Very low	37.3	Very low	200 Å²	200	131.9 Å²	131.9	94%	0.935	82%	0.817	S	S	*	*			trans	-97.4	111.3	-169.7	-173.1	169.1	-11.8	0	0	110.8
192	G	27.9	Very low	35.5	Very low	75 Å²	75	127.8 Å²	127.8	77%	0.773	82%	0.815	S	S	*	*			trans	-149.6	137.1	179.1	0	0	0	0	0	111.5
193	T	28.3	Very low	34.4	Very low	144 Å²	144	129.3 Å²	129.3	88%	0.883	83%	0.833	S	S	*	*			trans	-77.2	137.9	-172	45.8	0	0	0	0	114.3
194	A	29	Very low	33.7	Very low	89 Å²	89	129.7 Å²	129.7	74%	0.736	84%	0.838	S	S	*	*				178.1	115.2	125	0	0	0	0	0	113.7
195	E	31.1	Very low	33.5	Very low	199 Å²	199	128.7 Å²	128.7	93%	0.93	83%	0.834	S	S	*	*			trans	56.9	171.1	133.6	-53.3	-166.1	153.3	0	0	123
196	D	30.9	Very low	32.8	Very low	178 Å²	178	133.6 Å²	133.6	95%	0.952	84%	0.839	S	S	*	*			trans	-83.8	149.3	-162.3	-84.6	-60.7	0	0	0	115.4
197	G	31.6	Very low	32.6	Very low	77 Å²	77	127.8 Å²	127.8	79%	0.794	84%	0.835	S	S	*	*			trans	-168.7	84.7	174.8	0	0	0	0	0	113
198	A	33.4	Very low	32.4	Very low	97 Å²	97	132.3 Å²	132.3	80%	0.802	84%	0.836	S	S	*	*			trans	-78.5	137.9	-176.3	0	0	0	0	0	113.4
199	S	35.2	Very low	32.2	Very low	107 Å²	107	130.8 Å²	130.8	75%	0.748	83%	0.834	S	S	*	*				176.4	150.6	114.5	-80	0	0	0	0	115.9
200	S	32.5	Very low	32	Very low	113 Å²	113	128.2 Å²	128.2	79%	0.79	83%	0.828	S	S	*	*			trans	45.9	114.3	146.8	61.4	0	0	0	0	120.6
201	A	34.3	Very low	31.9	Very low	105 Å²	105	131.1 Å²	131.1	87%	0.868	83%	0.83	S	S	*	*			trans	-63	151.8	161.6	0	0	0	0	0	113.5
202	S	32.3	Very low	31.9	Very low	122 Å²	122	127.2 Å²	127.2	85%	0.853	82%	0.822	S	S	*	*			trans	-142.7	137.7	143.4	63	0	0	0	0	109.6
203	S	33.9	Very low	32.1	Very low	121 Å²	121	129.7 Å²	129.7	85%	0.846	82%	0.822	S	S	*	*			trans	-114.2	123.2	-176.6	57.6	0	0	0	0	110.8
204	S	30.9	Very low	32.5	Very low	118 Å²	118	131.2 Å²	131.2	83%	0.825	82%	0.819	S	S	*	*			trans	-124.1	95.8	169.3	48.7	0	0	0	0	110.3	Q206	S204-Q206 PolarHBondContact O-N 3.48Å
205	S	34.3	Very low	32.7	Very low	119 Å²	119	131.9 Å²	131.9	83%	0.832	82%	0.818	S	S	*	*			trans	-75.6	117.9	173.1	54.2	0	0	0	0	110.8
206	Q	32.1	Very low	32.9	Very low	175 Å²	175	128.5 Å²	128.5	82%	0.818	81%	0.811	S	S	*	*			trans	-124	138.4	157.3	-78.3	-171.3	-23	0	0	110.1	S204	S204-Q206 PolarHBondContact O-N 3.48Å
207	S	36.8	Very low	32.9	Very low	124 Å²	124	124.9 Å²	124.9	87%	0.867	80%	0.8	S	S	*	*			trans	-101.3	98.8	-179.9	54.9	0	0	0	0	109.2
208	E	29.4	Very low	33.4	Very low	172 Å²	172	126 Å²	126	80%	0.804	79%	0.793	S	S	*	*			trans	-114.2	133	171.9	-64.8	-161.9	128	0	0	110.7
209	T	32.9	Very low	33.6	Very low	125 Å²	125	126.5 Å²	126.5	77%	0.767	79%	0.791	S	S	*	*			trans	-74.6	128.9	173	41.4	0	0	0	0	109.5	E211	T209-E211 PolarHBondContact O-N 3.27Å
210	P	29.9	Very low	34	Very low	128 Å²	128	128.6 Å²	128.6	83%	0.831	79%	0.793	S	S	*	*			trans	-71.1	104.1	172.9	28.8	-32.7	0	0	0	109.5
211	E	30.7	Very low	34.7	Very low	166 Å²	166	127.5 Å²	127.5	78%	0.776	78%	0.778	S	S	*	*			trans	-67.5	144.5	165.5	-68.6	-148.7	137.9	0	0	110.4	T209 V213	T209-E211 PolarHBondContact O-N 3.27Å; E211-V213 PolarHBondContact O-N 2.95Å; E211-V213 VanDerWaalsContact O-N 3.09Å
212	P	32.2	Very low	35	Very low	118 Å²	118	128 Å²	128	77%	0.766	77%	0.77	S	S	*	*			trans	-74.7	102	179.6	30.6	-33.5	0	0	0	110.3	E214	P212-E214 PolarHBondContact O-N 2.9Å; P212-E214 VanDerWaalsContact O-N 3.08Å
213	V	31.7	Very low	36	Very low	127 Å²	127	126.9 Å²	126.9	77%	0.77	76%	0.758	S	S	*	*			trans	-66.3	108.2	171.9	-174.5	0	0	0	0	109.4	E211 S215	E211-V213 PolarHBondContact O-N 2.95Å; E211-V213 VanDerWaalsContact O-N 3.09Å; V213-S215 PolarHBondContact O-N 3.22Å
214	E	36.8	Very low	36.6	Very low	175 Å²	175	127.7 Å²	127.7	82%	0.818	75%	0.753	S	S	*	*			trans	-71.4	70.8	176.7	-69.2	-164.7	131.6	0	0	112.3	P212 T216	P212-E214 PolarHBondContact O-N 2.9Å; P212-E214 VanDerWaalsContact O-N 3.08Å; E214-T216 VanDerWaalsContact C-N 3.32Å; E214-T216 PolarHBondContact O-N 2.74Å; E214-T216 PolarHBondContact O-OG1 3.3Å; E214-T216 VanDerWaalsContact O-OG1 3.08Å
215	S	33.1	Very low	37.6	Very low	103 Å²	103	128.7 Å²	128.7	72%	0.72	75%	0.749	S	S	*	*			trans	-67.8	87.1	175.1	-68.8	0	0	0	0	111.1	V213 S217	V213-S215 PolarHBondContact O-N 3.22Å; S215-S217 PolarHBondContact O-N 2.95Å
216	T	35.3	Very low	39.1	Very low	128 Å²	128	125 Å²	125	79%	0.785	72%	0.722	S	S	*	*			trans	-73.9	89.6	-172.6	-56.7	0	0	0	0	111.2	E214	E214-T216 VanDerWaalsContact C-N 3.32Å; E214-T216 PolarHBondContact O-N 2.74Å; E214-T216 PolarHBondContact O-OG1 3.3Å; E214-T216 VanDerWaalsContact O-OG1 3.08Å
217	S	32.5	Very low	41.8	Very low	102 Å²	102	118.2 Å²	118.2	71%	0.713	69%	0.691	S	S	*	*			trans	-169.5	112.6	158.6	-83.6	0	0	0	0	111.4	S215 S219	S215-S217 PolarHBondContact O-N 2.95Å; S217-S219 PolarHBondContact O-N 3.02Å
218	P	40.3	Very low	44.4	Very low	102 Å²	102	115.7 Å²	115.7	66%	0.662	67%	0.665	S	S	*	*			trans	-72.9	117.1	155.7	30.6	-28.9	0	0	0	108	L220	P218-L220 PolarHBondContact O-N 3.22Å; P218-L220 VanDerWaalsContact O-N 3.09Å
219	S	39.6	Very low	47.5	Very low	106 Å²	106	109.5 Å²	109.5	74%	0.741	64%	0.635	S	S	*	*			trans	-58.4	118.2	169.8	-64.5	0	0	0	0	108.6	S217 L221	S217-S219 PolarHBondContact O-N 3.02Å; S219-L221 VanDerWaalsContact C-N 3.31Å; S219-L221 PolarHBondContact O-N 2.85Å
220	L	43.3	Very low	50.5	Low	152 Å²	152	107.4 Å²	107.4	80%	0.796	63%	0.625	S	S	*	*			trans	-69.4	89.8	178	-68.9	172.7	0	0	0	109.1	P218 T222	P218-L220 PolarHBondContact O-N 3.22Å; P218-L220 VanDerWaalsContact O-N 3.09Å; L220-T222 PolarHBondContact O-N 3.2Å
221	L	47.1	Very low	53.7	Low	90 Å²	90	101.6 Å²	101.6	47%	0.471	59%	0.586	S	S	.	*			trans	-61.6	117.6	171.7	-66.1	-179.5	0	0	0	108.7	S219 T223 L227	S219-L221 VanDerWaalsContact C-N 3.31Å; S219-L221 PolarHBondContact O-N 2.85Å; L221-T223 PolarHBondContact O-N 2.99Å; L221-L227 HydrophobicContact CD1-CD2 4.36Å
222	T	40.2	Very low	56.8	Low	114 Å²	114	94.1 Å²	94.1	70%	0.699	55%	0.551	S	S	*	*			trans	-64.9	131.3	177.9	41.8	0	0	0	0	110.1	L220 D224 T226	L220-T222 PolarHBondContact O-N 3.2Å; T222-D224 PolarHBondContact O-N 2.72Å; T222-T226 VanDerWaalsContact O-CG2 3.26Å; T222-T226 WeakPolarHBondContact O-CG2 3.41Å; T222-T226 PolarHBondContact O-OG1 3.06Å
223	T	52.4	Low	59.9	Low	100 Å²	100	88.5 Å²	88.5	61%	0.613	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-40.3	-136.8	-44	0	0	0	0	115.8	L221	L221-T223 PolarHBondContact O-N 2.99Å
224	D	47.3	Very low	63	Low	138 Å²	138	85.2 Å²	85.2	74%	0.738	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-37	-156.2	-61.7	-23.6	0	0	0	114.6	T222	T222-D224 PolarHBondContact O-N 2.72Å
225	N	52.4	Low	65.8	Low	139 Å²	139	77 Å²	77	74%	0.743	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.1	-15.4	-175.2	-72	-20	0	0	0	114.6	L227	N225-L227 VanDerWaalsContact C-N 3.29Å; N225-L227 PolarHBondContact O-N 2.86Å
226	T	66.1	Low	68.8	Low	42 Å²	42	76 Å²	76	26%	0.258	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-9.3	-172	56.7	0	0	0	0	114.4	T222 R229	T222-T226 VanDerWaalsContact O-CG2 3.26Å; T222-T226 WeakPolarHBondContact O-CG2 3.41Å; T222-T226 PolarHBondContact O-OG1 3.06Å; T226-R229 PolarHBondContact O-NH1 3.04Å; T226-R229 PolarHBondContact O-NH2 3.04Å
227	L	87	Confident	71.5	Confident	32 Å²	32	70.6 Å²	70.6	17%	0.168	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-15.8	-176.6	-57.7	178.8	0	0	0	113.9	L221 N225 R259 L260 L262	L221-L227 HydrophobicContact CD1-CD2 4.36Å; N225-L227 VanDerWaalsContact C-N 3.29Å; N225-L227 PolarHBondContact O-N 2.86Å; L227-R259 CarbonylContact O-C 3.58Å; L227-R259 VanDerWaalsContact O-CA 3.32Å; L227-R259 WeakPolarHBondContact O-CA 3.27Å; L227-L260 HydrophobicContact CD2-CB 4.45Å; L227-L260 PolarHBondContact O-N 2.92Å; L227-L262 HydrophobicContact CD1-CD1 3.75Å; L227-L262 HydrophobicContact CD1-CG 4.07Å; L227-L262 HydrophobicContact CD2-CD1 3.96Å; L227-L262 HydrophobicContact CD2-CD2 4.07Å; L227-L262 HydrophobicContact CD2-CG 4.09Å
228	E	92.3	Very high	74.3	Confident	70 Å²	70	69.9 Å²	69.9	33%	0.327	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	145.3	176.5	-54.5	-145.9	140.4	0	0	111.5	R259	E228-R259 HydrophobicContact CG-CG 4.35Å; E228-R259 IonicContact OE1-CZ 3.28Å; E228-R259 IonicContact OE1-NE 2.64Å; E228-R259 PolarHBondContact OE1-NE 3.21Å; E228-R259 IonicContact OE1-NH2 3.13Å; E228-R259 PolarHBondContact OE1-NH2 3.18Å
229	R	94.3	Very high	76.4	Confident	43 Å²	43	68.2 Å²	68.2	16%	0.162	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	121.1	-175.4	-65.3	-70	177.5	-89.1	9.4	109.3	Q177 T226 F231 T257 G258 L260 L279	Q177-R229 WeakPolarHBondContact O-CD 3.37Å; Q177-R229 PolarHBondContact O-NE 2.89Å; T226-R229 PolarHBondContact O-NH1 3.04Å; T226-R229 PolarHBondContact O-NH2 3.04Å; R229-F231 HydrophobicContact CB-CD1 4.31Å; R229-F231 HydrophobicContact CB-CE1 4.14Å; R229-T257 CarbonylContact O-C 3.57Å; R229-T257 WeakPolarHBondContact O-CA 3.23Å; R229-G258 PolarHBondContact N-O 3.31Å; R229-G258 PolarHBondContact O-N 3.08Å; R229-L260 HydrophobicContact CG-CG 4.29Å; R229-L260 VanDerWaalsContact NH2-CD1 3.3Å; R229-L279 HydrophobicContact CB-CD1 4Å; R229-L279 HydrophobicContact CG-CD1 3.7Å
230	S	95.6	Very high	77.8	Confident	81 Å²	81	68.7 Å²	68.7	57%	0.566	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.8	110.5	175.4	-172.5	0	0	0	0	108.3	H255 I256	S230-H255 PolarHBondContact OG-NE2 3Å; S230-I256 VanDerWaalsContact CA-O 3.27Å; S230-I256 WeakPolarHBondContact CA-O 3.28Å
231	F	96.5	Very high	78.6	Confident	5 Å²	5	64.5 Å²	64.5	2%	0.022	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	165.5	-173.8	64.4	-80.8	0	0	0	111.8	M174 Q177 R229 I233 I256	M174-F231 HydrophobicContact CE-CZ 4.23Å; M174-F231 HydrophobicContact SD-CE2 3.68Å; M174-F231 HydrophobicContact SD-CZ 3.76Å; Q177-F231 HydrophobicContact CB-CD1 4.07Å; Q177-F231 HydrophobicContact CB-CE1 3.63Å; Q177-F231 HydrophobicContact CB-CE2 4.12Å; Q177-F231 HydrophobicContact CB-CZ 3.67Å; Q177-F231 HydrophobicContact CG-CB 4.43Å; Q177-F231 HydrophobicContact CG-CD1 3.72Å; Q177-F231 HydrophobicContact CG-CD2 3.87Å; Q177-F231 HydrophobicContact CG-CE1 3.81Å; Q177-F231 HydrophobicContact CG-CE2 3.95Å; Q177-F231 HydrophobicContact CG-CG 3.77Å; Q177-F231 HydrophobicContact CG-CZ 3.92Å; R229-F231 HydrophobicContact CB-CD1 4.31Å; R229-F231 HydrophobicContact CB-CE1 4.14Å; F231-I233 HydrophobicContact CD2-CG2 3.69Å; F231-I233 HydrophobicContact CE2-CG2 3.6Å; F231-I256 HydrophobicContact CD1-CB 4.29Å; F231-I256 HydrophobicContact CD1-CG2 3.95Å; F231-I256 HydrophobicContact CE1-CB 4.05Å; F231-I256 HydrophobicContact CE1-CG2 3.39Å; F231-I256 HydrophobicContact CE2-CB 4.47Å; F231-I256 HydrophobicContact CE2-CD1 3.94Å; F231-I256 HydrophobicContact CZ-CB 4.15Å; F231-I256 HydrophobicContact CZ-CD1 3.8Å; F231-I256 HydrophobicContact CZ-CG2 3.74Å; F231-I256 PolarHBondContact N-O 3.36Å; F231-I256 VanDerWaalsContact N-O 3.1Å; F231-I256 PolarHBondContact O-N 3.02Å
232	F	97.4	Very high	78.8	Confident	9 Å²	9	70 Å²	70	4%	0.039	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	129.7	-176.4	-59.2	-85.3	0	0	0	111.1	V253 I254 H255 L286 D352 K356 C359 V360	F232-V253 HydrophobicContact CB-CG1 4.23Å; F232-V253 HydrophobicContact CD1-CG1 4.27Å; F232-I254 WeakPolarHBondContact CA-O 3.47Å; F232-H255 HydrophobicContact CD1-CB 3.8Å; F232-H255 AromaticContact CD1-CD2 3.94Å; F232-H255 HydrophobicContact CE1-CB 3.55Å; F232-H255 AromaticContact CE1-CD2 3.47Å; F232-H255 VanDerWaalsContact CE1-CD2 3.47Å; F232-H255 WeakPolarHBondContact CE1-CD2 3.19Å; F232-H255 AromaticContact CE1-CG 3.46Å; F232-H255 VanDerWaalsContact CE1-CG 3.46Å; F232-H255 AromaticContact CZ-CD2 3.64Å; F232-H255 AromaticContact CZ-CG 3.98Å; F232-H255 AromaticContact CZ-NE2 3.98Å; F232-L286 HydrophobicContact CD1-CD1 4.16Å; F232-L286 HydrophobicContact CE1-CD1 4.12Å; F232-D352 HydrophobicContact CD2-CB 4.32Å; F232-D352 WeakPolarHBondContact CD2-OD2 3.26Å; F232-K356 HydrophobicContact CB-CD 3.82Å; F232-K356 WeakPolarHBondContact O-CD 3.35Å; F232-K356 WeakPolarHBondContact O-CE 3.29Å; F232-K356 PolarHBondContact O-NZ 2.74Å; F232-C359 HydrophobicContact CE2-CB 4.4Å; F232-C359 HydrophobicContact CZ-CB 4.43Å; F232-V360 HydrophobicContact CE1-CB 4.22Å; F232-V360 HydrophobicContact CE1-CG2 4.37Å; F232-V360 HydrophobicContact CZ-CB 4.03Å; F232-V360 VanDerWaalsContact CZ-O 3.3Å; F232-V360 WeakPolarHBondContact CZ-O 3.4Å
233	I	97.1	Very high	79.1	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	156.5	173.1	63.4	175.3	0	0	0	111.5	V166 D170 M174 F231 M235 I254 I256	V166-I233 HydrophobicContact CG1-CB 4.26Å; V166-I233 HydrophobicContact CG1-CD1 4.19Å; V166-I233 HydrophobicContact CG2-CD1 3.58Å; D170-I233 HydrophobicContact CB-CB 4.38Å; D170-I233 HydrophobicContact CB-CG2 4.29Å; M174-I233 HydrophobicContact SD-CD1 3.72Å; F231-I233 HydrophobicContact CD2-CG2 3.69Å; F231-I233 HydrophobicContact CE2-CG2 3.6Å; I233-M235 HydrophobicContact CD1-CG 4.01Å; I233-M235 HydrophobicContact CD1-SD 4.33Å; I233-M235 HydrophobicContact CG1-CG 4.07Å; I233-I254 PolarHBondContact N-O 3.35Å; I233-I254 PolarHBondContact O-N 2.78Å; I233-I256 HydrophobicContact CD1-CD1 3.41Å; I233-I256 VanDerWaalsContact CD1-CD1 3.41Å; I233-I256 HydrophobicContact CG1-CD1 3.83Å
234	R	96.3	Very high	78.5	Confident	59 Å²	59	66.1 Å²	66.1	22%	0.223	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	114.3	174.7	-64.6	169.2	-77.8	-154	-4	109.5	V166 H167 D170 Y251 K252 V253 N355	V166-R234 CarbonylContact C-O 3.53Å; V166-R234 WeakPolarHBondContact CA-O 3.49Å; H167-R234 HydrophobicContact CB-CB 3.65Å; H167-R234 WeakPolarHBondContact CB-O 3.45Å; H167-R234 PolarHBondContact N-O 3Å; D170-R234 IonicContact OD1-CZ 3.85Å; D170-R234 VanDerWaalsContact OD1-CZ 3.28Å; D170-R234 IonicContact OD1-NE 2.74Å; D170-R234 PolarHBondContact OD1-NE 2.91Å; D170-R234 VanDerWaalsContact OD1-NE 3.13Å; D170-R234 IonicContact OD1-NH2 2.84Å; D170-R234 PolarHBondContact OD1-NH2 2.87Å; D170-R234 VanDerWaalsContact OD2-CB 3.25Å; D170-R234 WeakPolarHBondContact OD2-CB 3.25Å; D170-R234 WeakPolarHBondContact OD2-CG 3.21Å; D170-R234 IonicContact OD2-CZ 2.83Å; D170-R234 PolarHBondContact OD2-N 3.29Å; D170-R234 IonicContact OD2-NE 3.58Å; D170-R234 PolarHBondContact OD2-NE 2.94Å; D170-R234 IonicContact OD2-NH2 3.4Å; R234-Y251 HydrophobicContact CB-CD1 4.33Å; R234-K252 CarbonylContact C-O 3.47Å; R234-K252 VanDerWaalsContact CA-O 3.28Å; R234-K252 WeakPolarHBondContact CA-O 3.43Å; R234-V253 HydrophobicContact CG-CG2 4.29Å; R234-N355 PolarHBondContact NH1-O 2.85Å
235	M	96.6	Very high	77.9	Confident	1 Å²	1	69.1 Å²	69.1	1%	0.005	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	147	177.2	-65.2	-168.5	71.2	0	0	111.9	F129 F139 L150 Y165 V166 I233 Y251 K252 I254	F129-M235 HydrophobicContact CE2-SD 4.46Å; F129-M235 HydrophobicContact CZ-SD 4.14Å; F139-M235 HydrophobicContact CZ-CE 4.18Å; L150-M235 HydrophobicContact CD1-CB 3.92Å; L150-M235 HydrophobicContact CD1-CE 4.25Å; L150-M235 HydrophobicContact CD1-SD 4.32Å; L150-M235 HydrophobicContact CD2-CB 4.36Å; Y165-M235 CarbonylContact O-C 3.03Å; Y165-M235 WeakPolarHBondContact O-CA 3.45Å; V166-M235 HydrophobicContact CG2-CG 4.31Å; I233-M235 HydrophobicContact CD1-CG 4.01Å; I233-M235 HydrophobicContact CD1-SD 4.33Å; I233-M235 HydrophobicContact CG1-CG 4.07Å; M235-Y251 VanDerWaalsContact C-CD1 3.5Å; M235-Y251 CarbonylContact O-C 3.56Å; M235-Y251 WeakPolarHBondContact O-CA 3.38Å; M235-K252 PolarHBondContact N-O 3.2Å; M235-K252 PolarHBondContact O-N 2.82Å; M235-I254 HydrophobicContact CB-CG1 3.77Å; M235-I254 HydrophobicContact CG-CB 4.29Å; M235-I254 HydrophobicContact CG-CG1 3.75Å; M235-I254 HydrophobicContact SD-CB 4.37Å; M235-I254 HydrophobicContact SD-CG1 3.96Å; M235-I254 HydrophobicContact SD-CG2 4.35Å
236	K	95.1	Very high	77.6	Confident	82 Å²	82	67 Å²	67	36%	0.357	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	136	178.9	-74.9	-179.7	-173.7	168	0	111.4	L150 L152 D164 Y165 G250 Y251	L150-K236 WeakPolarHBondContact CD2-O 3.35Å; L152-K236 HydrophobicContact CD1-CB 4.42Å; L152-K236 WeakPolarHBondContact CD1-O 3.36Å; D164-K236 WeakPolarHBondContact O-CE 3.5Å; D164-K236 PolarHBondContact O-NZ 2.77Å; Y165-K236 WeakPolarHBondContact O-CG 3.44Å; Y165-K236 PolarHBondContact O-N 2.9Å; K236-G250 CarbonylContact C-O 3.58Å; K236-G250 VanDerWaalsContact CA-O 3.23Å; K236-G250 WeakPolarHBondContact CA-O 3.37Å; K236-Y251 HydrophobicContact CB-CE1 4.43Å; K236-Y251 WeakPolarHBondContact CE-OH 3.46Å; K236-Y251 HydrophobicContact CG-CD1 4.05Å; K236-Y251 HydrophobicContact CG-CE1 3.46Å; K236-Y251 VanDerWaalsContact CG-CE1 3.46Å
237	S	92.5	Very high	76.5	Confident	15 Å²	15	75 Å²	75	11%	0.105	39%	0.386	C	S	.	.			trans	-134.6	119.9	-179.2	171	0	0	0	0	110	L150 G250	L150-S237 CarbonylContact O-C 3.6Å; L150-S237 VanDerWaalsContact O-CA 3.28Å; L150-S237 WeakPolarHBondContact O-CA 3.18Å; S237-G250 PolarHBondContact N-O 2.85Å
238	T	90.8	Very high	74.9	Confident	87 Å²	87	76.7 Å²	76.7	53%	0.534	40%	0.4	S	S	.	.			trans	-85	-12.1	173.9	56.6	0	0	0	0	112.5	L150 G151 L152 T240	L150-T238 PolarHBondContact O-N 2.94Å; L150-T238 PolarHBondContact O-OG1 2.9Å; G151-T238 VanDerWaalsContact CA-OG1 3.26Å; G151-T238 WeakPolarHBondContact CA-OG1 3.22Å; G151-T238 PolarHBondContact O-OG1 2.9Å; L152-T238 HydrophobicContact CD2-CG2 3.82Å; T238-T240 PolarHBondContact O-N 3.3Å
239	L	85.3	Confident	73.5	Confident	68 Å²	68	78 Å²	78	36%	0.356	42%	0.417	S	S	.	.			trans	-64.2	113.4	178	-60.6	174	0	0	0	111.2	I148 Y149	I148-L239 WeakPolarHBondContact O-CD1 3.44Å; Y149-L239 WeakPolarHBondContact O-CD1 3.36Å
240	T	67.8	Low	73.1	Confident	116 Å²	116	77.4 Å²	77.4	71%	0.712	42%	0.424	S	S	*	.			trans	-77.4	128.2	172.6	51.6	0	0	0	0	110.4	T238 R242	T238-T240 PolarHBondContact O-N 3.3Å; T240-R242 PolarHBondContact O-N 2.76Å
241	K	61.5	Low	72.9	Confident	63 Å²	63	76.1 Å²	76.1	27%	0.274	41%	0.407	S	S	.	.			trans	-74.8	90	176	-168.4	170.2	-174.3	-178.7	0	110.2	G243 V244 P288 T290 E293	K241-G243 PolarHBondContact O-N 2.86Å; K241-V244 HydrophobicContact CD-CB 3.98Å; K241-V244 HydrophobicContact CD-CG2 3.87Å; K241-V244 HydrophobicContact CG-CB 4.18Å; K241-V244 HydrophobicContact CG-CG2 4.21Å; K241-V244 PolarHBondContact O-N 2.84Å; K241-P288 VanDerWaalsContact NZ-CB 3.33Å; K241-T290 PolarHBondContact NZ-OG1 3.02Å; K241-E293 IonicContact NZ-OE2 3.08Å
242	R	50.9	Low	72.7	Confident	207 Å²	207	78.8 Å²	78.8	78%	0.781	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	129.9	171.2	-59.6	-172.5	-166.9	-178.2	5.4	109.2	T240	T240-R242 PolarHBondContact O-N 2.76Å
243	G	45.2	Very low	72.5	Confident	80 Å²	80	78.8 Å²	78.8	83%	0.825	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.8	2.8	173.3	0	0	0	0	0	117.1	K241	K241-G243 PolarHBondContact O-N 2.86Å
244	V	40.4	Very low	72.5	Confident	52 Å²	52	78.8 Å²	78.8	32%	0.315	42%	0.419	S	S	.	.			trans	-128.9	117.2	171.8	-178.5	0	0	0	0	110.3	K241 I246	K241-V244 HydrophobicContact CD-CB 3.98Å; K241-V244 HydrophobicContact CD-CG2 3.87Å; K241-V244 HydrophobicContact CG-CB 4.18Å; K241-V244 HydrophobicContact CG-CG2 4.21Å; K241-V244 PolarHBondContact O-N 2.84Å; V244-I246 HydrophobicContact CG1-CB 4.11Å; V244-I246 HydrophobicContact CG1-CD1 3.84Å; V244-I246 HydrophobicContact CG1-CG1 3.82Å; V244-I246 PolarHBondContact O-N 2.73Å
245	H	35.7	Very low	72.5	Confident	200 Å²	200	77.1 Å²	77.1	93%	0.926	41%	0.414	S	S	*	.			trans	-74.8	32.9	-178.3	-73.1	-88.5	0	0	0	114.4
246	I	45.8	Very low	72.6	Confident	96 Å²	96	77.1 Å²	77.1	49%	0.492	41%	0.414	S	S	.	.			trans	-92.4	124.6	169.6	-65.6	172.5	0	0	0	107.4	V244 S248	V244-I246 HydrophobicContact CG1-CB 4.11Å; V244-I246 HydrophobicContact CG1-CD1 3.84Å; V244-I246 HydrophobicContact CG1-CG1 3.82Å; V244-I246 PolarHBondContact O-N 2.73Å; I246-S248 PolarHBondContact O-N 3.34Å
247	K	42.8	Very low	72.7	Confident	210 Å²	210	75.1 Å²	75.1	91%	0.913	41%	0.409	S	S	*	.			trans	-66.5	85.6	165	-65.5	176.6	-175.6	175	0	107.9	S249	K247-S249 PolarHBondContact O-N 2.98Å
248	S	53.9	Low	72.8	Confident	67 Å²	67	75.3 Å²	75.3	47%	0.469	41%	0.413	S	S	.	.			trans	-54.3	135	171.6	52.2	0	0	0	0	108.6	I246 G250	I246-S248 PolarHBondContact O-N 3.34Å; S248-G250 PolarHBondContact O-N 2.82Å
249	S	62.3	Low	73	Confident	97 Å²	97	77.8 Å²	77.8	68%	0.678	41%	0.413	S	S	*	.			trans	-65.7	7.4	-171.8	53	0	0	0	0	115.1	K247 Y251	K247-S249 PolarHBondContact O-N 2.98Å; S249-Y251 VanDerWaalsContact C-N 3.34Å; S249-Y251 WeakPolarHBondContact O-CD2 3.39Å; S249-Y251 WeakPolarHBondContact O-CE2 3.46Å
250	G	86.3	Confident	73.3	Confident	30 Å²	30	74.8 Å²	74.8	31%	0.309	40%	0.397	S	S	.	.	S	Bend	trans	79.5	14.1	-168.3	0	0	0	0	0	113.2	K236 S237 S248	K236-G250 CarbonylContact C-O 3.58Å; K236-G250 VanDerWaalsContact CA-O 3.23Å; K236-G250 WeakPolarHBondContact CA-O 3.37Å; S237-G250 PolarHBondContact N-O 2.85Å; S248-G250 PolarHBondContact O-N 2.82Å
251	Y	90.6	Very high	74.3	Confident	55 Å²	55	70.3 Å²	70.3	22%	0.216	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	155.9	-179	-62.2	-92.6	0	0	0	113	H167 R234 M235 K236 S249	H167-Y251 HydrophobicContact CB-CD1 3.86Å; H167-Y251 HydrophobicContact CB-CE1 3.73Å; H167-Y251 HydrophobicContact CB-CG 4.49Å; H167-Y251 AromaticContact CD2-CE2 3.86Å; H167-Y251 AromaticContact CD2-CZ 3.94Å; R234-Y251 HydrophobicContact CB-CD1 4.33Å; M235-Y251 VanDerWaalsContact C-CD1 3.5Å; M235-Y251 CarbonylContact O-C 3.56Å; M235-Y251 WeakPolarHBondContact O-CA 3.38Å; K236-Y251 HydrophobicContact CB-CE1 4.43Å; K236-Y251 WeakPolarHBondContact CE-OH 3.46Å; K236-Y251 HydrophobicContact CG-CD1 4.05Å; K236-Y251 HydrophobicContact CG-CE1 3.46Å; K236-Y251 VanDerWaalsContact CG-CE1 3.46Å; S249-Y251 VanDerWaalsContact C-N 3.34Å; S249-Y251 WeakPolarHBondContact O-CD2 3.39Å; S249-Y251 WeakPolarHBondContact O-CE2 3.46Å
252	K	92.1	Very high	75.4	Confident	61 Å²	61	69.1 Å²	69.1	27%	0.265	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	152.5	164	-75.6	-172.1	-178.5	-177.8	0	110.3	Y149 L150 R234 M235 I254	Y149-K252 WeakPolarHBondContact O-CD 3.41Å; Y149-K252 WeakPolarHBondContact O-CE 3.23Å; Y149-K252 PolarHBondContact O-NZ 2.8Å; L150-K252 HydrophobicContact CD2-CB 4.21Å; L150-K252 HydrophobicContact CD2-CD 4.34Å; R234-K252 CarbonylContact C-O 3.47Å; R234-K252 VanDerWaalsContact CA-O 3.28Å; R234-K252 WeakPolarHBondContact CA-O 3.43Å; M235-K252 PolarHBondContact N-O 3.2Å; M235-K252 PolarHBondContact O-N 2.82Å; K252-I254 HydrophobicContact CB-CD1 4.43Å
253	V	94	Very high	76.7	Confident	8 Å²	8	64.4 Å²	64.4	5%	0.048	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	126.6	168.5	-173.4	0	0	0	0	109.4	F232 R234 L286 K356 Q358	F232-V253 HydrophobicContact CB-CG1 4.23Å; F232-V253 HydrophobicContact CD1-CG1 4.27Å; R234-V253 HydrophobicContact CG-CG2 4.29Å; V253-L286 HydrophobicContact CB-CD1 4.37Å; V253-L286 HydrophobicContact CG1-CD1 3.93Å; V253-L286 PolarHBondContact O-N 3.19Å; V253-K356 WeakPolarHBondContact CG2-O 3.2Å; V253-Q358 HydrophobicContact CB-CB 4.04Å; V253-Q358 HydrophobicContact CB-CG 4.33Å; V253-Q358 HydrophobicContact CG1-CB 4.23Å; V253-Q358 HydrophobicContact CG2-CB 3.95Å; V253-Q358 HydrophobicContact CG2-CG 3.97Å
254	I	96.7	Very high	77.8	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	124.4	177.1	-57.2	-54.1	0	0	0	108.1	F129 L150 F232 I233 M235 K252 I256 A283 H284 A285	F129-I254 HydrophobicContact CE1-CD1 4.17Å; F129-I254 HydrophobicContact CZ-CD1 4.35Å; F129-I254 HydrophobicContact CZ-CG1 4.46Å; F129-I254 HydrophobicContact CZ-CG2 4.13Å; L150-I254 HydrophobicContact CD2-CD1 4.01Å; F232-I254 WeakPolarHBondContact CA-O 3.47Å; I233-I254 PolarHBondContact N-O 3.35Å; I233-I254 PolarHBondContact O-N 2.78Å; M235-I254 HydrophobicContact CB-CG1 3.77Å; M235-I254 HydrophobicContact CG-CB 4.29Å; M235-I254 HydrophobicContact CG-CG1 3.75Å; M235-I254 HydrophobicContact SD-CB 4.37Å; M235-I254 HydrophobicContact SD-CG1 3.96Å; M235-I254 HydrophobicContact SD-CG2 4.35Å; K252-I254 HydrophobicContact CB-CD1 4.43Å; I254-I256 HydrophobicContact CG2-CG1 4.25Å; I254-A283 HydrophobicContact CG2-CB 3.74Å; I254-H284 CarbonylContact C-O 3.48Å; I254-H284 WeakPolarHBondContact CA-O 3.47Å; I254-A285 HydrophobicContact CD1-CB 3.5Å; I254-A285 VanDerWaalsContact CD1-CB 3.5Å
255	H	97.3	Very high	78.9	Confident	25 Å²	25	63.2 Å²	63.2	12%	0.116	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	117.4	165.9	-175.7	-153.8	0	0	0	108.5	S230 F232 T257 A283 H284 L286	S230-H255 PolarHBondContact OG-NE2 3Å; F232-H255 HydrophobicContact CD1-CB 3.8Å; F232-H255 AromaticContact CD1-CD2 3.94Å; F232-H255 HydrophobicContact CE1-CB 3.55Å; F232-H255 AromaticContact CE1-CD2 3.47Å; F232-H255 VanDerWaalsContact CE1-CD2 3.47Å; F232-H255 WeakPolarHBondContact CE1-CD2 3.19Å; F232-H255 AromaticContact CE1-CG 3.46Å; F232-H255 VanDerWaalsContact CE1-CG 3.46Å; F232-H255 AromaticContact CZ-CD2 3.64Å; F232-H255 AromaticContact CZ-CG 3.98Å; F232-H255 AromaticContact CZ-NE2 3.98Å; H255-T257 WeakPolarHBondContact CE1-CG2 2.98Å; H255-A283 WeakPolarHBondContact O-CA 3.37Å; H255-H284 HydrophobicContact CB-CB 4.48Å; H255-H284 PolarHBondContact N-O 2.9Å; H255-H284 PolarHBondContact O-N 2.82Å; H255-L286 HydrophobicContact CB-CD2 4.21Å
256	I	97.1	Very high	80.1	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	126.3	173.4	-76.2	177.6	0	0	0	108.1	F131 M174 S230 F231 I233 I254 V281	F131-I256 HydrophobicContact CZ-CD1 3.86Å; F131-I256 HydrophobicContact CZ-CG1 4.27Å; M174-I256 HydrophobicContact SD-CD1 4.32Å; S230-I256 VanDerWaalsContact CA-O 3.27Å; S230-I256 WeakPolarHBondContact CA-O 3.28Å; F231-I256 HydrophobicContact CD1-CB 4.29Å; F231-I256 HydrophobicContact CD1-CG2 3.95Å; F231-I256 HydrophobicContact CE1-CB 4.05Å; F231-I256 HydrophobicContact CE1-CG2 3.39Å; F231-I256 HydrophobicContact CE2-CB 4.47Å; F231-I256 HydrophobicContact CE2-CD1 3.94Å; F231-I256 HydrophobicContact CZ-CB 4.15Å; F231-I256 HydrophobicContact CZ-CD1 3.8Å; F231-I256 HydrophobicContact CZ-CG2 3.74Å; F231-I256 PolarHBondContact N-O 3.36Å; F231-I256 VanDerWaalsContact N-O 3.1Å; F231-I256 PolarHBondContact O-N 3.02Å; I233-I256 HydrophobicContact CD1-CD1 3.41Å; I233-I256 VanDerWaalsContact CD1-CD1 3.41Å; I233-I256 HydrophobicContact CG1-CD1 3.83Å; I254-I256 HydrophobicContact CG2-CG1 4.25Å; I256-V281 HydrophobicContact CB-CG1 4.22Å; I256-V281 HydrophobicContact CG1-CG1 4.09Å; I256-V281 HydrophobicContact CG2-CB 4.46Å; I256-V281 HydrophobicContact CG2-CG1 3.72Å; I256-V281 HydrophobicContact CG2-CG2 3.87Å
257	T	96.9	Very high	80.5	Confident	40 Å²	40	58.5 Å²	58.5	25%	0.245	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	135.2	165.8	64.4	0	0	0	0	109.3	R229 H255 V281 V282	R229-T257 CarbonylContact O-C 3.57Å; R229-T257 WeakPolarHBondContact O-CA 3.23Å; H255-T257 WeakPolarHBondContact CE1-CG2 2.98Å; T257-V281 CarbonylContact O-C 3.52Å; T257-V281 WeakPolarHBondContact O-CA 3.3Å; T257-V282 PolarHBondContact N-O 3.43Å; T257-V282 PolarHBondContact O-N 3.06Å; T257-V282 VanDerWaalsContact O-O 3.06Å; T257-V282 PolarHBondContact OG1-O 3.08Å
258	G	95.7	Very high	81.1	Confident	20 Å²	20	58 Å²	58	21%	0.206	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177.7	-172.4	-171.5	0	0	0	0	0	114.8	R229 V280	R229-G258 PolarHBondContact N-O 3.31Å; R229-G258 PolarHBondContact O-N 3.08Å; G258-V280 CarbonylContact C-O 3.6Å; G258-V280 WeakPolarHBondContact CA-O 3.45Å
259	R	94.3	Very high	81.2	Confident	138 Å²	138	58.8 Å²	58.8	52%	0.521	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	143.6	176.9	-60.4	-171.9	178.7	95.1	2.4	111.3	L227 E228 V280	L227-R259 CarbonylContact O-C 3.58Å; L227-R259 VanDerWaalsContact O-CA 3.32Å; L227-R259 WeakPolarHBondContact O-CA 3.27Å; E228-R259 HydrophobicContact CG-CG 4.35Å; E228-R259 IonicContact OE1-CZ 3.28Å; E228-R259 IonicContact OE1-NE 2.64Å; E228-R259 PolarHBondContact OE1-NE 3.21Å; E228-R259 IonicContact OE1-NH2 3.13Å; E228-R259 PolarHBondContact OE1-NH2 3.18Å; R259-V280 PolarHBondContact N-O 3.39Å; R259-V280 PolarHBondContact O-N 2.82Å
260	L	92.3	Very high	81	Confident	6 Å²	6	63.7 Å²	63.7	3%	0.031	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	124.5	166.4	-72.9	178.7	0	0	0	109.3	L227 R229 I276 G278 L279	L227-L260 HydrophobicContact CD2-CB 4.45Å; L227-L260 PolarHBondContact O-N 2.92Å; R229-L260 HydrophobicContact CG-CG 4.29Å; R229-L260 VanDerWaalsContact NH2-CD1 3.3Å; L260-I276 HydrophobicContact CD1-CD1 4.16Å; L260-I276 HydrophobicContact CD2-CG2 4.05Å; L260-G278 CarbonylContact C-O 3.51Å; L260-G278 WeakPolarHBondContact CA-O 3.32Å; L260-L279 HydrophobicContact CD2-CB 3.99Å; L260-L279 HydrophobicContact CD2-CD1 3.63Å; L260-L279 HydrophobicContact CD2-CG 4.42Å; L260-L279 HydrophobicContact CG-CD1 4.05Å
261	R	89	Confident	79.7	Confident	22 Å²	22	67.1 Å²	67.1	8%	0.083	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	125.4	178.1	-157.7	168.9	-176	-144.4	-4.2	109	F76 A77 G80 P82 M277 G278 V280	F76-R261 HydrophobicContact CE2-CB 4.48Å; F76-R261 HydrophobicContact CZ-CB 4.01Å; F76-R261 PolarHBondContact O-NH1 2.9Å; A77-R261 PolarHBondContact O-NH2 2.85Å; G80-R261 VanDerWaalsContact C-NH2 3.31Å; G80-R261 PolarHBondContact O-NH2 2.9Å; P82-R261 PolarHBondContact O-NH2 3.45Å; R261-M277 WeakPolarHBondContact O-CB 3.35Å; R261-M277 PolarHBondContact O-N 2.89Å; R261-G278 PolarHBondContact N-O 2.8Å; R261-V280 HydrophobicContact CB-CG2 4.4Å
262	L	85	Confident	78.1	Confident	38 Å²	38	67.3 Å²	67.3	20%	0.199	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	147.6	178.9	-59.5	-174	0	0	0	111.5	L227 P273 Q275 I276	L227-L262 HydrophobicContact CD1-CD1 3.75Å; L227-L262 HydrophobicContact CD1-CG 4.07Å; L227-L262 HydrophobicContact CD2-CD1 3.96Å; L227-L262 HydrophobicContact CD2-CD2 4.07Å; L227-L262 HydrophobicContact CD2-CG 4.09Å; L262-P273 HydrophobicContact CB-CB 4.35Å; L262-P273 HydrophobicContact CD1-CB 3.61Å; L262-Q275 CarbonylContact C-O 3.52Å; L262-Q275 WeakPolarHBondContact CA-O 3.46Å; L262-I276 HydrophobicContact CD2-CB 4.37Å; L262-I276 HydrophobicContact CD2-CG1 3.72Å
263	R	77.9	Confident	76.6	Confident	107 Å²	107	68 Å²	68	40%	0.404	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	121.7	167.5	-163.5	179.5	-164.5	177.1	6.7	108.8	S274 Q275 M277	R263-S274 PolarHBondContact O-N 2.81Å; R263-Q275 HydrophobicContact CB-CB 4.38Å; R263-Q275 PolarHBondContact N-O 3.44Å; R263-M277 HydrophobicContact CB-CG 3.72Å; R263-M277 HydrophobicContact CB-SD 3.96Å; R263-M277 HydrophobicContact CG-CG 4.48Å; R263-M277 HydrophobicContact CG-SD 4.4Å
264	V	68.3	Low	75.3	Confident	56 Å²	56	70.5 Å²	70.5	34%	0.339	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	126.1	171.8	-177.3	0	0	0	0	108.7	D81 T271	D81-V264 HydrophobicContact CB-CG2 4.24Å; V264-T271 HydrophobicContact CG1-CG2 3.94Å
265	S	64	Low	74.5	Confident	51 Å²	51	75.7 Å²	75.7	36%	0.357	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	134.4	167.8	-169.7	0	0	0	0	110	V272	S265-V272 PolarHBondContact N-O 2.82Å; S265-V272 PolarHBondContact O-N 2.96Å
266	L	59.4	Low	73.9	Confident	146 Å²	146	76.6 Å²	76.6	76%	0.764	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.4	92.4	176.2	-72.3	171.9	0	0	0	109.1	T271	L266-T271 HydrophobicContact CD2-CG2 3.58Å
267	S	55	Low	73.6	Confident	52 Å²	52	77.2 Å²	77.2	36%	0.364	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	117.5	177	59.6	0	0	0	0	110.7	G269 R270	S267-G269 VanDerWaalsContact C-N 3.33Å; S267-G269 PolarHBondContact O-N 2.75Å; S267-G269 VanDerWaalsContact O-N 3.15Å; S267-R270 PolarHBondContact N-O 3.36Å; S267-R270 PolarHBondContact O-N 3.3Å
268	H	54.9	Low	73.4	Confident	198 Å²	198	75.3 Å²	75.3	92%	0.917	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.1	48.5	169.4	-62.7	99.4	0	0	0	115.3	R270	H268-R270 PolarHBondContact O-N 2.9Å
269	G	56.6	Low	73.4	Confident	85 Å²	85	74.3 Å²	74.3	88%	0.876	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.3	9.8	175.9	0	0	0	0	0	115.5	S267	S267-G269 VanDerWaalsContact C-N 3.33Å; S267-G269 PolarHBondContact O-N 2.75Å; S267-G269 VanDerWaalsContact O-N 3.15Å
270	R	58.3	Low	73.6	Confident	199 Å²	199	69.6 Å²	69.6	75%	0.751	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123	131.2	169.9	-63.2	-174.3	180	-166.3	-1.1	110.7	S267 H268	S267-R270 PolarHBondContact N-O 3.36Å; S267-R270 PolarHBondContact O-N 3.3Å; H268-R270 PolarHBondContact O-N 2.9Å
271	T	57.7	Low	73.8	Confident	102 Å²	102	69.4 Å²	69.4	63%	0.626	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.5	120.3	166.7	34.5	0	0	0	0	108.8	V264 L266	V264-T271 HydrophobicContact CG1-CG2 3.94Å; L266-T271 HydrophobicContact CD2-CG2 3.58Å
272	V	56.9	Low	74.2	Confident	59 Å²	59	70.3 Å²	70.3	36%	0.358	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	116.7	175.3	-175.4	0	0	0	0	108.3	S265 S274	S265-V272 PolarHBondContact N-O 2.82Å; S265-V272 PolarHBondContact O-N 2.96Å; V272-S274 PolarHBondContact O-N 3.29Å
273	P	60.6	Low	74.8	Confident	76 Å²	76	68.5 Å²	68.5	49%	0.494	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	118.5	169.5	-15.9	29.8	0	0	0	108.7	L262	L262-P273 HydrophobicContact CB-CB 4.35Å; L262-P273 HydrophobicContact CD1-CB 3.61Å
274	S	67.4	Low	75.5	Confident	61 Å²	61	66.2 Å²	66.2	43%	0.427	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	-20.4	-164.6	69.1	0	0	0	0	115.3	R263 V272	R263-S274 PolarHBondContact O-N 2.81Å; V272-S274 PolarHBondContact O-N 3.29Å
275	Q	79	Confident	76.5	Confident	109 Å²	109	64.2 Å²	64.2	51%	0.509	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	144.8	-177.3	-163.3	175.7	7	0	0	111.9	L262 R263	L262-Q275 CarbonylContact C-O 3.52Å; L262-Q275 WeakPolarHBondContact CA-O 3.46Å; R263-Q275 HydrophobicContact CB-CB 4.38Å; R263-Q275 PolarHBondContact N-O 3.44Å
276	I	86.2	Confident	77.5	Confident	43 Å²	43	62.5 Å²	62.5	22%	0.221	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	125.6	167.6	-63.5	163.7	0	0	0	108.8	L260 L262	L260-I276 HydrophobicContact CD1-CD1 4.16Å; L260-I276 HydrophobicContact CD2-CG2 4.05Å; L262-I276 HydrophobicContact CD2-CB 4.37Å; L262-I276 HydrophobicContact CD2-CG1 3.72Å
277	M	89.6	Confident	78	Confident	13 Å²	13	58.7 Å²	58.7	6%	0.064	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	-22.1	173.7	-61.7	170.4	58.5	0	0	112.5	F76 Q79 N134 Q135 R261 R263	F76-M277 HydrophobicContact CB-CE 4.39Å; F76-M277 HydrophobicContact CD2-CB 3.92Å; F76-M277 HydrophobicContact CD2-CE 3.8Å; F76-M277 HydrophobicContact CE2-CB 3.7Å; F76-M277 HydrophobicContact CE2-CE 4.34Å; F76-M277 HydrophobicContact CG-CE 4.11Å; F76-M277 WeakPolarHBondContact O-CE 3.38Å; Q79-M277 HydrophobicContact CB-CE 3.66Å; Q79-M277 HydrophobicContact CB-SD 4.35Å; N134-M277 CarbonylContact C-O 3.59Å; N134-M277 VanDerWaalsContact CA-O 3.31Å; N134-M277 WeakPolarHBondContact CA-O 3.42Å; Q135-M277 PolarHBondContact N-O 3.33Å; Q135-M277 PolarHBondContact OE1-O 2.84Å; R261-M277 WeakPolarHBondContact O-CB 3.35Å; R261-M277 PolarHBondContact O-N 2.89Å; R263-M277 HydrophobicContact CB-CG 3.72Å; R263-M277 HydrophobicContact CB-SD 3.96Å; R263-M277 HydrophobicContact CG-CG 4.48Å; R263-M277 HydrophobicContact CG-SD 4.4Å
278	G	93.2	Very high	78.5	Confident	0 Å²	0	59 Å²	59	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	140.8	-162.6	-175.2	0	0	0	0	0	112.7	L133 L260 R261	L133-G278 CarbonylContact O-C 3.12Å; L133-G278 VanDerWaalsContact O-CA 3.28Å; L133-G278 WeakPolarHBondContact O-CA 3.46Å; L260-G278 CarbonylContact C-O 3.51Å; L260-G278 WeakPolarHBondContact CA-O 3.32Å; R261-G278 PolarHBondContact N-O 2.8Å
279	L	96.3	Very high	78.7	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	133	-169	-174.3	74.3	0	0	0	110.5	A132 L133 M174 L178 R229 L260 V281	A132-L279 CarbonylContact C-O 3.58Å; A132-L279 WeakPolarHBondContact CA-O 3.27Å; L133-L279 HydrophobicContact CB-CB 4.38Å; L133-L279 HydrophobicContact CD1-CD2 4.48Å; L133-L279 PolarHBondContact N-O 3.34Å; L133-L279 PolarHBondContact O-N 2.86Å; M174-L279 HydrophobicContact CE-CD2 4.2Å; L178-L279 HydrophobicContact CD2-CB 3.75Å; L178-L279 HydrophobicContact CD2-CD2 4.32Å; R229-L279 HydrophobicContact CB-CD1 4Å; R229-L279 HydrophobicContact CG-CD1 3.7Å; L260-L279 HydrophobicContact CD2-CB 3.99Å; L260-L279 HydrophobicContact CD2-CD1 3.63Å; L260-L279 HydrophobicContact CD2-CG 4.42Å; L260-L279 HydrophobicContact CG-CD1 4.05Å; L279-V281 HydrophobicContact CD2-CG2 3.5Å; L279-V281 HydrophobicContact CG-CG2 3.57Å
280	V	97.1	Very high	79	Confident	38 Å²	38	50.1 Å²	50.1	23%	0.23	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	127.8	174.4	-172.7	0	0	0	0	108.8	F76 W84 G258 R259 R261	F76-V280 HydrophobicContact CE1-CG2 3.72Å; F76-V280 HydrophobicContact CZ-CG2 3.67Å; W84-V280 HydrophobicContact CH2-CG1 3.92Å; W84-V280 HydrophobicContact CH2-CG2 3.73Å; W84-V280 HydrophobicContact CZ2-CG1 4.09Å; W84-V280 HydrophobicContact CZ2-CG2 3.95Å; G258-V280 CarbonylContact C-O 3.6Å; G258-V280 WeakPolarHBondContact CA-O 3.45Å; R259-V280 PolarHBondContact N-O 3.39Å; R259-V280 PolarHBondContact O-N 2.82Å; R261-V280 HydrophobicContact CB-CG2 4.4Å
281	V	97.3	Very high	79	Confident	3 Å²	3	44.1 Å²	44.1	2%	0.018	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	139.9	-162.6	174.5	0	0	0	0	112.5	V130 F131 I256 T257 L279 A283	V130-V281 WeakPolarHBondContact CA-O 3.49Å; V130-V281 WeakPolarHBondContact CG1-O 3.19Å; F131-V281 HydrophobicContact CD1-CB 4.23Å; F131-V281 HydrophobicContact CD1-CG1 4.12Å; F131-V281 HydrophobicContact CD2-CB 3.91Å; F131-V281 HydrophobicContact CD2-CG2 4.1Å; F131-V281 HydrophobicContact CE1-CB 4.06Å; F131-V281 HydrophobicContact CE1-CG1 3.63Å; F131-V281 HydrophobicContact CE2-CB 3.69Å; F131-V281 HydrophobicContact CE2-CG1 4.07Å; F131-V281 HydrophobicContact CE2-CG2 3.54Å; F131-V281 HydrophobicContact CG-CB 4.18Å; F131-V281 HydrophobicContact CZ-CB 3.79Å; F131-V281 HydrophobicContact CZ-CG1 3.61Å; F131-V281 HydrophobicContact CZ-CG2 3.85Å; F131-V281 PolarHBondContact N-O 2.86Å; F131-V281 PolarHBondContact O-N 2.91Å; I256-V281 HydrophobicContact CB-CG1 4.22Å; I256-V281 HydrophobicContact CG1-CG1 4.09Å; I256-V281 HydrophobicContact CG2-CB 4.46Å; I256-V281 HydrophobicContact CG2-CG1 3.72Å; I256-V281 HydrophobicContact CG2-CG2 3.87Å; T257-V281 CarbonylContact O-C 3.52Å; T257-V281 WeakPolarHBondContact O-CA 3.3Å; L279-V281 HydrophobicContact CD2-CG2 3.5Å; L279-V281 HydrophobicContact CG-CG2 3.57Å; V281-A283 HydrophobicContact CG1-CB 3.89Å
282	V	97.7	Very high	79.1	Confident	41 Å²	41	46.6 Å²	46.6	25%	0.248	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	125.3	151	-171.1	0	0	0	0	107.9	L126 V130 T257	L126-V282 HydrophobicContact CD2-CG1 4.24Å; V130-V282 HydrophobicContact CG2-CG2 4.41Å; T257-V282 PolarHBondContact N-O 3.43Å; T257-V282 PolarHBondContact O-N 3.06Å; T257-V282 VanDerWaalsContact O-O 3.06Å; T257-V282 PolarHBondContact OG1-O 3.08Å
283	A	97.7	Very high	79.2	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	122.2	-172.9	0	0	0	0	0	111	G128 F129 F131 I254 H255 V281	G128-A283 CarbonylContact C-O 3.59Å; G128-A283 VanDerWaalsContact CA-O 3.25Å; G128-A283 WeakPolarHBondContact CA-O 3.34Å; F129-A283 HydrophobicContact CD1-CB 4.4Å; F129-A283 HydrophobicContact CD2-CB 4.01Å; F129-A283 HydrophobicContact CE1-CB 4.1Å; F129-A283 HydrophobicContact CE2-CB 3.69Å; F129-A283 HydrophobicContact CG-CB 4.35Å; F129-A283 HydrophobicContact CZ-CB 3.73Å; F129-A283 PolarHBondContact N-O 3.26Å; F129-A283 PolarHBondContact O-N 3.01Å; F131-A283 HydrophobicContact CD1-CB 4.16Å; F131-A283 HydrophobicContact CE1-CB 3.69Å; I254-A283 HydrophobicContact CG2-CB 3.74Å; H255-A283 WeakPolarHBondContact O-CA 3.37Å; V281-A283 HydrophobicContact CG1-CB 3.89Å
284	H	93.2	Very high	79.3	Confident	58 Å²	58	47.5 Å²	47.5	27%	0.269	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	124.6	-178.1	-58.9	-74.7	0	0	0	109.6	D127 I254 H255	D127-H284 PolarHBondContact O-ND1 3.16Å; I254-H284 CarbonylContact C-O 3.48Å; I254-H284 WeakPolarHBondContact CA-O 3.47Å; H255-H284 HydrophobicContact CB-CB 4.48Å; H255-H284 PolarHBondContact N-O 2.9Å; H255-H284 PolarHBondContact O-N 2.82Å
285	A	88.8	Confident	79.2	Confident	15 Å²	15	55.3 Å²	55.3	12%	0.124	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	120.4	171.8	0	0	0	0	0	108.9	Y149 I254	Y149-A285 HydrophobicContact CD1-CB 3.9Å; Y149-A285 HydrophobicContact CG-CB 4.28Å; I254-A285 HydrophobicContact CD1-CB 3.5Å; I254-A285 VanDerWaalsContact CD1-CB 3.5Å
286	L	83.9	Confident	79	Confident	15 Å²	15	52.3 Å²	52.3	8%	0.079	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-66.4	143.7	-175	-60.3	-177.7	0	0	0	110.8	F232 V253 H255 Q358 V360	F232-L286 HydrophobicContact CD1-CD1 4.16Å; F232-L286 HydrophobicContact CE1-CD1 4.12Å; V253-L286 HydrophobicContact CB-CD1 4.37Å; V253-L286 HydrophobicContact CG1-CD1 3.93Å; V253-L286 PolarHBondContact O-N 3.19Å; H255-L286 HydrophobicContact CB-CD2 4.21Å; L286-Q358 HydrophobicContact CB-CB 4.42Å; L286-Q358 HydrophobicContact CD1-CB 3.64Å; L286-V360 HydrophobicContact CD1-CG2 4.34Å; L286-V360 HydrophobicContact CD2-CG2 3.55Å
287	P	71.7	Confident	78.3	Confident	65 Å²	65	54.4 Å²	54.4	42%	0.422	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-55.8	154.3	-178.3	-27.9	35.7	0	0	0	112.9	Q358	P287-Q358 PolarHBondContact O-NE2 3.13Å
288	P	64.3	Low	77.2	Confident	58 Å²	58	57.9 Å²	57.9	38%	0.377	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-64.2	158.6	-179	-16.4	30	0	0	0	112.6	K241 T290 E293	K241-P288 VanDerWaalsContact NZ-CB 3.33Å; P288-T290 PolarHBondContact O-N 3.02Å; P288-E293 WeakPolarHBondContact CB-OE2 3.3Å
289	P	59.5	Low	76.9	Confident	54 Å²	54	62.9 Å²	62.9	35%	0.351	33%	0.332	S	S	.	.	S	Bend	trans	-74.9	47.2	-173.3	32.5	-39.9	0	0	0	114.5	T381	P289-T381 HydrophobicContact CB-CG2 3.42Å; P289-T381 VanDerWaalsContact CB-CG2 3.42Å
290	T	62.6	Low	76.7	Confident	43 Å²	43	63.7 Å²	63.7	26%	0.264	34%	0.336	S	S	.	.			trans	-138.7	103	-169.9	15.2	0	0	0	0	111.1	K241 P288 N292 E293	K241-T290 PolarHBondContact NZ-OG1 3.02Å; P288-T290 PolarHBondContact O-N 3.02Å; T290-N292 PolarHBondContact O-N 2.93Å; T290-N292 VanDerWaalsContact O-N 3.07Å; T290-E293 PolarHBondContact O-N 3.13Å; T290-E293 PolarHBondContact OG1-OE2 2.82Å
291	I	59.5	Low	76.4	Confident	73 Å²	73	61.9 Å²	61.9	37%	0.374	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-50.4	-35.8	-178.3	-168.6	169.6	0	0	0	113.5	E293 V294 V302 I395	I291-E293 PolarHBondContact O-N 3.25Å; I291-E293 VanDerWaalsContact O-N 3.08Å; I291-V294 WeakPolarHBondContact O-CB 3.49Å; I291-V294 PolarHBondContact O-N 2.91Å; I291-V302 HydrophobicContact CD1-CG1 4.03Å; I291-I395 HydrophobicContact CB-CD1 4.12Å
292	N	58.5	Low	76.2	Confident	155 Å²	155	61.8 Å²	61.8	83%	0.829	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-62	-15.8	178.8	-59.9	13.1	0	0	0	114.6	T290	T290-N292 PolarHBondContact O-N 2.93Å; T290-N292 VanDerWaalsContact O-N 3.07Å
293	E	60.1	Low	76.1	Confident	112 Å²	112	59.9 Å²	59.9	52%	0.523	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-94.3	-11.8	177.4	-65.3	170	155.9	0	0	112.1	K241 P288 T290 I291 R295	K241-E293 IonicContact NZ-OE2 3.08Å; P288-E293 WeakPolarHBondContact CB-OE2 3.3Å; T290-E293 PolarHBondContact O-N 3.13Å; T290-E293 PolarHBondContact OG1-OE2 2.82Å; I291-E293 PolarHBondContact O-N 3.25Å; I291-E293 VanDerWaalsContact O-N 3.08Å; E293-R295 PolarHBondContact O-N 3.18Å
294	V	62	Low	75.9	Confident	42 Å²	42	63.5 Å²	63.5	26%	0.255	33%	0.327	S	S	.	.			trans	-80.4	112.8	178.9	-175.4	0	0	0	0	109.7	I291 I296 M300 V397	I291-V294 WeakPolarHBondContact O-CB 3.49Å; I291-V294 PolarHBondContact O-N 2.91Å; V294-I296 HydrophobicContact CG1-CG1 4.22Å; V294-I296 PolarHBondContact O-N 2.93Å; V294-M300 HydrophobicContact CG1-CE 4.42Å; V294-V397 HydrophobicContact CG1-CG1 4.42Å
295	R	66.1	Low	76	Confident	224 Å²	224	60.7 Å²	60.7	85%	0.845	31%	0.314	S	S	*	.			trans	-79	108.1	168.9	-64.6	-178	-178.4	-179.6	1.2	108.7	E293 D297	E293-R295 PolarHBondContact O-N 3.18Å; R295-D297 PolarHBondContact O-N 3.49Å
296	I	72.9	Confident	76.4	Confident	46 Å²	46	63.2 Å²	63.2	24%	0.236	33%	0.325	C	S	.	.			trans	-87.7	93.6	-177.5	-44.3	175.1	0	0	0	109.7	V294 M300 V302 E315 R317	V294-I296 HydrophobicContact CG1-CG1 4.22Å; V294-I296 PolarHBondContact O-N 2.93Å; I296-M300 HydrophobicContact CG2-CB 3.74Å; I296-V302 HydrophobicContact CD1-CG2 3.78Å; I296-V302 HydrophobicContact CG1-CG2 4.42Å; I296-E315 VanDerWaalsContact CD1-OE1 3.23Å; I296-E315 WeakPolarHBondContact CD1-OE1 3.11Å; I296-R317 PolarHBondContact O-NH1 3.01Å
297	D	73.3	Confident	76.9	Confident	87 Å²	87	65.6 Å²	65.6	47%	0.465	34%	0.337	S	S	.	.			trans	-67.4	179	173.2	-89.1	-35	0	0	0	112.1	R295 M300 R317	R295-D297 PolarHBondContact O-N 3.49Å; D297-M300 HydrophobicContact CB-SD 4.37Å; D297-R317 PolarHBondContact O-NH1 3.41Å
298	C	65	Low	78.1	Confident	87 Å²	87	64.8 Å²	64.8	59%	0.588	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	151.5	166	50.8	0	0	0	0	111.1	M300	C298-M300 VanDerWaalsContact C-N 3.3Å
299	H	87.4	Confident	79.7	Confident	104 Å²	104	62 Å²	62	48%	0.481	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	66	27.6	-172.8	-46.4	-81.2	0	0	0	114.2	Y321 L400	H299-Y321 PolarHBondContact N-OH 2.84Å; H299-L400 HydrophobicContact CB-CB 3.96Å; H299-L400 PolarHBondContact O-N 3.32Å
300	M	91.3	Very high	81.5	Confident	17 Å²	17	61.4 Å²	61.4	8%	0.084	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	144.6	169.7	-66.6	177	63.1	0	0	111.3	V294 I296 D297 C298 R317 V397 N398 Y399	V294-M300 HydrophobicContact CG1-CE 4.42Å; I296-M300 HydrophobicContact CG2-CB 3.74Å; D297-M300 HydrophobicContact CB-SD 4.37Å; C298-M300 VanDerWaalsContact C-N 3.3Å; M300-R317 WeakPolarHBondContact O-CD 3.48Å; M300-R317 PolarHBondContact O-NH1 3.03Å; M300-V397 HydrophobicContact CE-CG1 3.47Å; M300-V397 VanDerWaalsContact CE-CG1 3.47Å; M300-N398 VanDerWaalsContact CA-O 3.27Å; M300-N398 WeakPolarHBondContact CA-O 3.39Å; M300-Y399 HydrophobicContact CE-CD1 3.9Å; M300-Y399 HydrophobicContact CE-CE1 3.37Å; M300-Y399 HydrophobicContact CG-CD1 3.85Å; M300-Y399 HydrophobicContact CG-CE1 4.27Å; M300-Y399 HydrophobicContact CG-CG 4.49Å; M300-Y399 HydrophobicContact SD-CD1 3.82Å; M300-Y399 HydrophobicContact SD-CE1 3.65Å
301	F	92.5	Very high	83.2	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	148	169.5	73.1	-84.9	0	0	0	111.6	T303 E315 I318 Y321 M322 I376 N398 L400	F301-T303 HydrophobicContact CD2-CG2 4.45Å; F301-T303 HydrophobicContact CE2-CG2 4.08Å; F301-E315 WeakPolarHBondContact CA-OE2 3.38Å; F301-I318 HydrophobicContact CD2-CB 4.14Å; F301-I318 HydrophobicContact CD2-CD1 4.48Å; F301-I318 HydrophobicContact CD2-CG1 4.34Å; F301-I318 HydrophobicContact CE2-CB 4.29Å; F301-I318 HydrophobicContact CE2-CD1 3.81Å; F301-I318 HydrophobicContact CE2-CG1 3.99Å; F301-I318 HydrophobicContact CG-CB 4.48Å; F301-I318 HydrophobicContact CZ-CD1 4.1Å; F301-I318 HydrophobicContact CZ-CG1 4.11Å; F301-Y321 HydrophobicContact CD1-CD2 4.18Å; F301-M322 HydrophobicContact CE1-CE 4.07Å; F301-M322 HydrophobicContact CZ-CE 3.77Å; F301-I376 HydrophobicContact CE1-CD1 4.28Å; F301-I376 HydrophobicContact CZ-CD1 4.37Å; F301-N398 HydrophobicContact CD1-CB 3.92Å; F301-N398 HydrophobicContact CD2-CB 4.45Å; F301-N398 HydrophobicContact CE1-CB 3.59Å; F301-N398 HydrophobicContact CE2-CB 4.16Å; F301-N398 VanDerWaalsContact CE2-ND2 3.32Å; F301-N398 WeakPolarHBondContact CE2-ND2 3.21Å; F301-N398 HydrophobicContact CG-CB 4.34Å; F301-N398 HydrophobicContact CZ-CB 3.71Å; F301-N398 PolarHBondContact N-O 3.34Å; F301-N398 VanDerWaalsContact N-O 3.15Å; F301-N398 WeakPolarHBondContact O-CB 3.42Å; F301-N398 PolarHBondContact O-N 2.94Å; F301-N398 PolarHBondContact O-ND2 3.43Å; F301-N398 VanDerWaalsContact O-ND2 3.09Å; F301-L400 HydrophobicContact CD1-CD1 4.21Å; F301-L400 HydrophobicContact CE1-CD1 3.92Å
302	V	92.7	Very high	85	Confident	2 Å²	2	58.9 Å²	58.9	1%	0.012	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	134.4	-177.5	-174.9	0	0	0	0	111.8	I291 I296 E315 I395 V397	I291-V302 HydrophobicContact CD1-CG1 4.03Å; I296-V302 HydrophobicContact CD1-CG2 3.78Å; I296-V302 HydrophobicContact CG1-CG2 4.42Å; V302-E315 HydrophobicContact CB-CG 4.2Å; V302-E315 PolarHBondContact N-OE2 3.15Å; V302-E315 PolarHBondContact O-N 3.49Å; V302-E315 VanDerWaalsContact O-N 3.08Å; V302-I395 HydrophobicContact CG1-CG2 3.97Å; V302-V397 HydrophobicContact CG2-CG2 4.36Å
303	T	94.9	Very high	86.8	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	145.7	163.2	41.4	0	0	0	0	110.6	F301 I311 Y313 C314 W396 N398	F301-T303 HydrophobicContact CD2-CG2 4.45Å; F301-T303 HydrophobicContact CE2-CG2 4.08Å; T303-I311 HydrophobicContact CG2-CG2 4.38Å; T303-Y313 CarbonylContact C-O 3.52Å; T303-Y313 WeakPolarHBondContact CA-O 3.14Å; T303-C314 HydrophobicContact CG2-CB 3.79Å; T303-C314 VanDerWaalsContact CG2-SG 3.58Å; T303-W396 PolarHBondContact N-O 3.19Å; T303-W396 PolarHBondContact O-N 2.82Å; T303-W396 PolarHBondContact OG1-O 3.17Å; T303-N398 PolarHBondContact OG1-ND2 3.25Å
304	R	94.1	Very high	88.5	Confident	76 Å²	76	52 Å²	52	29%	0.287	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	122.3	168.2	-174.5	-166.1	-175.9	-137.1	-1	107.5	I312 Y313 E391 N393 I394	R304-I312 HydrophobicContact CG-CD1 4.42Å; R304-I312 WeakPolarHBondContact O-CB 3.33Å; R304-I312 PolarHBondContact O-N 3.42Å; R304-Y313 HydrophobicContact CB-CD1 4.33Å; R304-Y313 PolarHBondContact N-O 3.35Å; R304-Y313 PolarHBondContact O-N 2.78Å; R304-Y313 VanDerWaalsContact O-N 3.15Å; R304-E391 IonicContact CZ-OE1 2.67Å; R304-E391 IonicContact NH2-OE1 3.71Å; R304-E391 PolarHBondContact NH2-OE1 3.48Å; R304-N393 HydrophobicContact CG-CB 4.31Å; R304-N393 PolarHBondContact NE-OD1 2.7Å; R304-N393 PolarHBondContact NH2-ND2 3.25Å; R304-I394 WeakPolarHBondContact CA-O 3.16Å
305	V	95.9	Very high	90	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	155.1	-173.8	-47.8	0	0	0	0	111.4	L309 N310 I311 I394	V305-L309 HydrophobicContact CG2-CD2 3.73Å; V305-N310 CarbonylContact C-O 3.51Å; V305-N310 WeakPolarHBondContact CA-O 3.25Å; V305-N310 WeakPolarHBondContact CB-O 3.38Å; V305-I311 HydrophobicContact CG1-CB 4.46Å; V305-I311 HydrophobicContact CG1-CG1 4Å; V305-I394 HydrophobicContact CG2-CB 3.62Å; V305-I394 HydrophobicContact CG2-CD1 4.45Å; V305-I394 HydrophobicContact CG2-CG2 3.72Å; V305-I394 PolarHBondContact N-O 3.28Å; V305-I394 PolarHBondContact O-N 3.22Å
306	N	96	Very high	91.3	Very high	67 Å²	67	46.8 Å²	46.8	36%	0.358	24%	0.235	S	C	.	.			trans	-72.6	171.6	171.9	-89.3	-30	0	0	0	111.2	D308 L309 N310 I312	N306-D308 WeakPolarHBondContact CB-OD1 3.42Å; N306-D308 PolarHBondContact O-N 2.96Å; N306-L309 WeakPolarHBondContact O-CA 3.27Å; N306-L309 PolarHBondContact O-N 3.27Å; N306-N310 HydrophobicContact CB-CB 4.22Å; N306-N310 PolarHBondContact N-O 3.07Å; N306-I312 HydrophobicContact CB-CD1 4.43Å; N306-I312 HydrophobicContact CB-CG1 4.49Å; N306-I312 VanDerWaalsContact OD1-CD1 3.25Å; N306-I312 WeakPolarHBondContact OD1-CD1 3.44Å
307	M	95.3	Very high	92.2	Very high	65 Å²	65	48.3 Å²	48.3	32%	0.32	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-4.6	177.2	-60.4	-57.8	-59.1	0	0	114.7	H350 L354 I382 K392 I394	M307-H350 PolarHBondContact O-NE2 2.88Å; M307-L354 HydrophobicContact CE-CD2 3.39Å; M307-I382 HydrophobicContact CE-CD1 3.82Å; M307-I382 HydrophobicContact CE-CG1 4.36Å; M307-I382 HydrophobicContact SD-CG2 4.44Å; M307-K392 HydrophobicContact CG-CB 4.31Å; M307-K392 HydrophobicContact SD-CB 3.78Å; M307-I394 HydrophobicContact SD-CD1 4.25Å; M307-I394 HydrophobicContact SD-CG1 4.21Å
308	D	96.6	Very high	93.3	Very high	48 Å²	48	44.1 Å²	44.1	26%	0.257	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	10.6	174.3	70.8	-25.5	0	0	0	112.8	N306 N310 R333	N306-D308 WeakPolarHBondContact CB-OD1 3.42Å; N306-D308 PolarHBondContact O-N 2.96Å; D308-N310 VanDerWaalsContact C-N 3.29Å; D308-N310 PolarHBondContact O-N 3.05Å; D308-N310 WeakPolarHBondContact OD1-CB 3.27Å; D308-N310 PolarHBondContact OD1-N 3.46Å; D308-R333 IonicContact OD2-CZ 2.72Å; D308-R333 IonicContact OD2-NE 3.53Å; D308-R333 PolarHBondContact OD2-NE 2.85Å; D308-R333 IonicContact OD2-NH2 3.62Å; D308-R333 PolarHBondContact OD2-NH2 3.2Å
309	L	97.6	Very high	94.7	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.206	C	C	.	.			trans	60.1	24	-169.5	-50.8	-179.6	0	0	0	115.3	V305 N306 R333 C334 Y335 I346 H350 I394 W396	V305-L309 HydrophobicContact CG2-CD2 3.73Å; N306-L309 WeakPolarHBondContact O-CA 3.27Å; N306-L309 PolarHBondContact O-N 3.27Å; L309-R333 CarbonylContact O-C 3.6Å; L309-R333 VanDerWaalsContact O-CA 3.3Å; L309-R333 WeakPolarHBondContact O-CA 3.29Å; L309-C334 HydrophobicContact CB-CB 4.1Å; L309-C334 PolarHBondContact O-N 3.27Å; L309-C334 PolarHBondContact O-SG 2.92Å; L309-Y335 HydrophobicContact CD1-CE2 4.23Å; L309-I346 HydrophobicContact CD1-CG2 4.47Å; L309-H350 HydrophobicContact CD1-CB 4.21Å; L309-I394 HydrophobicContact CD2-CD1 4.11Å; L309-W396 HydrophobicContact CD1-CH2 4.48Å; L309-W396 HydrophobicContact CD1-CZ3 4.4Å; L309-W396 HydrophobicContact CD2-CE3 4.01Å; L309-W396 HydrophobicContact CD2-CZ3 3.81Å
310	N	98.1	Very high	95	Very high	41 Å²	41	43.3 Å²	43.3	22%	0.219	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-69.9	125.7	166.4	-169	-8.3	0	0	0	111	V305 N306 D308 I312 G331 K332 R333	V305-N310 CarbonylContact C-O 3.51Å; V305-N310 WeakPolarHBondContact CA-O 3.25Å; V305-N310 WeakPolarHBondContact CB-O 3.38Å; N306-N310 HydrophobicContact CB-CB 4.22Å; N306-N310 PolarHBondContact N-O 3.07Å; D308-N310 VanDerWaalsContact C-N 3.29Å; D308-N310 PolarHBondContact O-N 3.05Å; D308-N310 WeakPolarHBondContact OD1-CB 3.27Å; D308-N310 PolarHBondContact OD1-N 3.46Å; N310-I312 PolarHBondContact O-N 2.79Å; N310-G331 WeakPolarHBondContact OD1-CA 3.35Å; N310-G331 PolarHBondContact OD1-O 3.47Å; N310-G331 VanDerWaalsContact OD1-O 3.09Å; N310-K332 PolarHBondContact OD1-N 3.21Å; N310-K332 PolarHBondContact OD1-O 3.33Å; N310-R333 HydrophobicContact CB-CG 3.98Å
311	I	98.1	Very high	95	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	110.7	-174.1	-58.2	169.3	0	0	0	110	T303 V305 I329 V330 G331 K332 F337 W366	T303-I311 HydrophobicContact CG2-CG2 4.38Å; V305-I311 HydrophobicContact CG1-CB 4.46Å; V305-I311 HydrophobicContact CG1-CG1 4Å; I311-I329 HydrophobicContact CD1-CB 4.2Å; I311-I329 HydrophobicContact CD1-CD1 4.26Å; I311-I329 HydrophobicContact CD1-CG1 4.48Å; I311-I329 HydrophobicContact CG2-CD1 4.48Å; I311-I329 HydrophobicContact CG2-CG1 4.5Å; I311-V330 HydrophobicContact CG2-CG2 4.1Å; I311-V330 WeakPolarHBondContact O-CA 3.33Å; I311-G331 PolarHBondContact O-N 3.08Å; I311-K332 WeakPolarHBondContact CB-O 3.32Å; I311-K332 WeakPolarHBondContact CG1-O 3.32Å; I311-K332 PolarHBondContact N-O 3.48Å; I311-F337 HydrophobicContact CD1-CD2 4.28Å; I311-F337 HydrophobicContact CD1-CE2 4.11Å; I311-W366 HydrophobicContact CD1-CH2 4.28Å; I311-W366 HydrophobicContact CD1-CZ2 4.35Å
312	I	96.4	Very high	95.2	Very high	63 Å²	63	45 Å²	45	32%	0.323	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	-33.9	179.2	-39.1	170.6	0	0	0	110.6	R304 N306 N310	R304-I312 HydrophobicContact CG-CD1 4.42Å; R304-I312 WeakPolarHBondContact O-CB 3.33Å; R304-I312 PolarHBondContact O-N 3.42Å; N306-I312 HydrophobicContact CB-CD1 4.43Å; N306-I312 HydrophobicContact CB-CG1 4.49Å; N306-I312 VanDerWaalsContact OD1-CD1 3.25Å; N306-I312 WeakPolarHBondContact OD1-CD1 3.44Å; N310-I312 PolarHBondContact O-N 2.79Å
313	Y	95.9	Very high	95.2	Very high	118 Å²	118	47.6 Å²	47.6	46%	0.463	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	147	-176.8	165.2	-90.6	0	0	0	110.9	T303 R304 E315	T303-Y313 CarbonylContact C-O 3.52Å; T303-Y313 WeakPolarHBondContact CA-O 3.14Å; R304-Y313 HydrophobicContact CB-CD1 4.33Å; R304-Y313 PolarHBondContact N-O 3.35Å; R304-Y313 PolarHBondContact O-N 2.78Å; R304-Y313 VanDerWaalsContact O-N 3.15Å; Y313-E315 HydrophobicContact CE1-CG 4.07Å
314	C	96.3	Very high	95.2	Very high	3 Å²	3	48 Å²	48	2%	0.02	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	145	168.5	-174	0	0	0	0	109.6	T303 P326 I329	T303-C314 HydrophobicContact CG2-CB 3.79Å; T303-C314 VanDerWaalsContact CG2-SG 3.58Å; C314-P326 HydrophobicContact CB-CB 4.09Å; C314-P326 HydrophobicContact CB-CG 4.35Å; C314-I329 HydrophobicContact CB-CD1 3.84Å; C314-I329 HydrophobicContact CB-CG1 4.42Å
315	E	93.4	Very high	95.3	Very high	32 Å²	32	46.9 Å²	46.9	15%	0.15	24%	0.237	C	C	.	.			trans	-65	141.5	167.5	-68	-178	140	0	0	111.5	I296 F301 V302 Y313 R317 I318	I296-E315 VanDerWaalsContact CD1-OE1 3.23Å; I296-E315 WeakPolarHBondContact CD1-OE1 3.11Å; F301-E315 WeakPolarHBondContact CA-OE2 3.38Å; V302-E315 HydrophobicContact CB-CG 4.2Å; V302-E315 PolarHBondContact N-OE2 3.15Å; V302-E315 PolarHBondContact O-N 3.49Å; V302-E315 VanDerWaalsContact O-N 3.08Å; Y313-E315 HydrophobicContact CE1-CG 4.07Å; E315-R317 PolarHBondContact O-N 2.64Å; E315-I318 WeakPolarHBondContact O-CG2 3.48Å; E315-I318 PolarHBondContact O-N 3.35Å
316	N	94.5	Very high	95.4	Very high	126 Å²	126	47.8 Å²	47.8	67%	0.674	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-58.3	-19.2	177.2	-65.3	1.3	0	0	0	113.9	I318 S319	N316-I318 PolarHBondContact O-N 3.08Å; N316-I318 VanDerWaalsContact O-N 3.15Å; N316-S319 PolarHBondContact O-N 3.09Å; N316-S319 PolarHBondContact O-OG 3Å
317	R	91.9	Very high	95.4	Very high	77 Å²	77	50.8 Å²	50.8	29%	0.291	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-63.5	-14.9	179.8	-152.6	-169.7	-64.4	-175.9	-1.5	113.5	I296 D297 M300 E315 S319 D320 Y321	I296-R317 PolarHBondContact O-NH1 3.01Å; D297-R317 PolarHBondContact O-NH1 3.41Å; M300-R317 WeakPolarHBondContact O-CD 3.48Å; M300-R317 PolarHBondContact O-NH1 3.03Å; E315-R317 PolarHBondContact O-N 2.64Å; R317-S319 PolarHBondContact O-N 3.47Å; R317-D320 HydrophobicContact CG-CB 4.41Å; R317-D320 WeakPolarHBondContact CG-OD2 3.37Å; R317-D320 WeakPolarHBondContact O-CB 3.23Å; R317-D320 PolarHBondContact O-N 2.92Å; R317-Y321 WeakPolarHBondContact CD-OH 3.2Å; R317-Y321 HydrophobicContact CG-CE2 3.93Å; R317-Y321 WeakPolarHBondContact O-CD2 3.36Å
318	I	94.7	Very high	95.4	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-54.6	-35.8	171.5	-168.1	174	0	0	0	112	F301 E315 N316 D320 Y321 M322 P326 I329	F301-I318 HydrophobicContact CD2-CB 4.14Å; F301-I318 HydrophobicContact CD2-CD1 4.48Å; F301-I318 HydrophobicContact CD2-CG1 4.34Å; F301-I318 HydrophobicContact CE2-CB 4.29Å; F301-I318 HydrophobicContact CE2-CD1 3.81Å; F301-I318 HydrophobicContact CE2-CG1 3.99Å; F301-I318 HydrophobicContact CG-CB 4.48Å; F301-I318 HydrophobicContact CZ-CD1 4.1Å; F301-I318 HydrophobicContact CZ-CG1 4.11Å; E315-I318 WeakPolarHBondContact O-CG2 3.48Å; E315-I318 PolarHBondContact O-N 3.35Å; N316-I318 PolarHBondContact O-N 3.08Å; N316-I318 VanDerWaalsContact O-N 3.15Å; I318-D320 PolarHBondContact O-N 3.46Å; I318-Y321 CarbonylContact O-C 3.58Å; I318-Y321 PolarHBondContact O-N 3.38Å; I318-M322 HydrophobicContact CD1-CE 4.39Å; I318-M322 HydrophobicContact CD1-SD 3.7Å; I318-M322 HydrophobicContact CG1-CB 4.25Å; I318-M322 HydrophobicContact CG1-CE 4.4Å; I318-M322 HydrophobicContact CG1-CG 4.06Å; I318-M322 HydrophobicContact CG1-SD 3.68Å; I318-M322 PolarHBondContact O-N 2.79Å; I318-P326 HydrophobicContact CG2-CG 3.85Å; I318-I329 HydrophobicContact CD1-CD1 3.46Å; I318-I329 VanDerWaalsContact CD1-CD1 3.46Å
319	S	95	Very high	95.4	Very high	55 Å²	55	47 Å²	47	39%	0.385	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-68.6	-13	177.9	-49.2	0	0	0	0	114.4	N316 R317 Y321	N316-S319 PolarHBondContact O-N 3.09Å; N316-S319 PolarHBondContact O-OG 3Å; R317-S319 PolarHBondContact O-N 3.47Å; S319-Y321 VanDerWaalsContact C-N 3.26Å
320	D	93.4	Very high	95.4	Very high	118 Å²	118	50.1 Å²	50.1	63%	0.631	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-80.2	-13.5	172.5	-59.6	-17.9	0	0	0	111.4	R317 I318	R317-D320 HydrophobicContact CG-CB 4.41Å; R317-D320 WeakPolarHBondContact CG-OD2 3.37Å; R317-D320 WeakPolarHBondContact O-CB 3.23Å; R317-D320 PolarHBondContact O-N 2.92Å; I318-D320 PolarHBondContact O-N 3.46Å
321	Y	92.6	Very high	95.4	Very high	39 Å²	39	50.6 Å²	50.6	15%	0.153	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129	-23.4	-165.6	-58.4	-33.9	0	0	0	114.1	H299 F301 R317 I318 S319 L400	H299-Y321 PolarHBondContact N-OH 2.84Å; F301-Y321 HydrophobicContact CD1-CD2 4.18Å; R317-Y321 WeakPolarHBondContact CD-OH 3.2Å; R317-Y321 HydrophobicContact CG-CE2 3.93Å; R317-Y321 WeakPolarHBondContact O-CD2 3.36Å; I318-Y321 CarbonylContact O-C 3.58Å; I318-Y321 PolarHBondContact O-N 3.38Å; S319-Y321 VanDerWaalsContact C-N 3.26Å; Y321-L400 HydrophobicContact CD1-CD2 4.1Å; Y321-L400 HydrophobicContact CD2-CD1 4.19Å; Y321-L400 HydrophobicContact CG-CD1 4.23Å; Y321-L400 HydrophobicContact CG-CD2 3.85Å
322	M	95.1	Very high	95.4	Very high	15 Å²	15	55.3 Å²	55.3	7%	0.074	30%	0.299	C	S	.	.	S	Bend	trans	-130.9	163.2	179.8	-61.2	-173.2	-176.8	0	0	111.3	F301 I318 L324 W366 Q368 I374 I376	F301-M322 HydrophobicContact CE1-CE 4.07Å; F301-M322 HydrophobicContact CZ-CE 3.77Å; I318-M322 HydrophobicContact CD1-CE 4.39Å; I318-M322 HydrophobicContact CD1-SD 3.7Å; I318-M322 HydrophobicContact CG1-CB 4.25Å; I318-M322 HydrophobicContact CG1-CE 4.4Å; I318-M322 HydrophobicContact CG1-CG 4.06Å; I318-M322 HydrophobicContact CG1-SD 3.68Å; I318-M322 PolarHBondContact O-N 2.79Å; M322-L324 HydrophobicContact CB-CB 4.16Å; M322-L324 PolarHBondContact O-N 2.92Å; M322-L324 HydrophobicContact SD-CB 4.35Å; M322-L324 HydrophobicContact SD-CD1 4.08Å; M322-W366 HydrophobicContact CE-CB 4.1Å; M322-W366 VanDerWaalsContact CE-CD1 3.48Å; M322-W366 HydrophobicContact CE-CD2 3.78Å; M322-W366 HydrophobicContact CE-CE3 4.49Å; M322-W366 HydrophobicContact CE-CG 3.53Å; M322-W366 HydrophobicContact SD-CG 4.43Å; M322-Q368 VanDerWaalsContact CA-OE1 3.27Å; M322-I374 HydrophobicContact CE-CD1 3.6Å; M322-I374 HydrophobicContact CE-CG1 4.07Å; M322-I374 HydrophobicContact CG-CD1 3.81Å; M322-I374 HydrophobicContact SD-CD1 4.5Å; M322-I376 HydrophobicContact CE-CD1 3.65Å
323	D	93.4	Very high	95.4	Very high	56 Å²	56	58 Å²	58	30%	0.299	31%	0.305	S	S	.	.	S	Bend	trans	-82.1	11	164.5	62.7	-6.1	0	0	0	113.5	Q368 K369 N370	D323-Q368 WeakPolarHBondContact OD1-CA 3.27Å; D323-Q368 VanDerWaalsContact OD1-CB 3.28Å; D323-Q368 WeakPolarHBondContact OD1-CB 3.39Å; D323-Q368 PolarHBondContact OD1-OE1 2.94Å; D323-K369 HydrophobicContact CB-CB 4.31Å; D323-K369 VanDerWaalsContact CG-CB 3.47Å; D323-K369 WeakPolarHBondContact O-CD 3.49Å; D323-K369 WeakPolarHBondContact OD1-CB 3.46Å; D323-K369 PolarHBondContact OD1-N 3.13Å; D323-K369 WeakPolarHBondContact OD2-CB 3.46Å; D323-K369 PolarHBondContact OD2-N 3.36Å; D323-K369 VanDerWaalsContact OD2-N 3.08Å; D323-N370 PolarHBondContact OD2-N 3.18Å; D323-N370 PolarHBondContact OD2-ND2 2.83Å
324	L	94.7	Very high	95.5	Very high	7 Å²	7	52.5 Å²	52.5	4%	0.037	28%	0.284	C	S	.	.			trans	-106.9	133.6	174.5	-69.3	167.6	0	0	0	110.4	M322 D328 I329 F337 K369	M322-L324 HydrophobicContact CB-CB 4.16Å; M322-L324 PolarHBondContact O-N 2.92Å; M322-L324 HydrophobicContact SD-CB 4.35Å; M322-L324 HydrophobicContact SD-CD1 4.08Å; L324-D328 HydrophobicContact CD2-CB 3.72Å; L324-I329 HydrophobicContact CB-CG2 4.14Å; L324-I329 HydrophobicContact CD1-CG2 4.09Å; L324-I329 HydrophobicContact CD2-CG2 4.21Å; L324-I329 HydrophobicContact CG-CG2 4.4Å; L324-F337 HydrophobicContact CD1-CD1 4.15Å; L324-F337 HydrophobicContact CD1-CE1 4.25Å; L324-K369 HydrophobicContact CD2-CB 3.76Å; L324-K369 HydrophobicContact CD2-CD 4.29Å; L324-K369 HydrophobicContact CD2-CG 4.19Å; L324-K369 HydrophobicContact CG-CB 4.13Å
325	T	96.7	Very high	95.6	Very high	53 Å²	53	55.6 Å²	55.6	33%	0.325	30%	0.295	S	S	.	.			trans	-96.9	168.7	170	76.6	0	0	0	0	110.8	V327 D328	T325-V327 PolarHBondContact O-N 3.16Å; T325-V327 VanDerWaalsContact O-N 3.14Å; T325-V327 PolarHBondContact OG1-N 2.61Å; T325-D328 WeakPolarHBondContact CA-OD2 3.28Å; T325-D328 WeakPolarHBondContact CB-OD2 3.18Å; T325-D328 PolarHBondContact N-OD2 3.36Å; T325-D328 WeakPolarHBondContact O-CB 3.46Å; T325-D328 PolarHBondContact O-N 2.88Å; T325-D328 PolarHBondContact OG1-OD2 3.09Å
326	P	97.4	Very high	95.8	Very high	20 Å²	20	59.3 Å²	59.3	13%	0.13	31%	0.312	C	S	.	.	H	α-helix	trans	-55	-30.8	172.4	-27.8	37.3	0	0	0	113.9	C314 I318 D328 I329 V330	C314-P326 HydrophobicContact CB-CB 4.09Å; C314-P326 HydrophobicContact CB-CG 4.35Å; I318-P326 HydrophobicContact CG2-CG 3.85Å; P326-D328 VanDerWaalsContact C-N 3.33Å; P326-I329 PolarHBondContact O-N 3.43Å; P326-V330 WeakPolarHBondContact O-CB 3.38Å; P326-V330 VanDerWaalsContact O-CG2 3.24Å; P326-V330 WeakPolarHBondContact O-CG2 3.38Å; P326-V330 PolarHBondContact O-N 3.27Å
327	V	96.4	Very high	96	Very high	130 Å²	130	54.1 Å²	54.1	79%	0.788	28%	0.284	S	S	*	.	H	α-helix	trans	-70.5	-30.4	179.8	-175.5	0	0	0	0	111.6	T325 I329	T325-V327 PolarHBondContact O-N 3.16Å; T325-V327 VanDerWaalsContact O-N 3.14Å; T325-V327 PolarHBondContact OG1-N 2.61Å; V327-I329 VanDerWaalsContact C-N 3.27Å; V327-I329 PolarHBondContact O-N 3.31Å
328	D	95.6	Very high	96.3	Very high	34 Å²	34	50.7 Å²	50.7	18%	0.182	27%	0.271	C	S	.	.	H	α-helix	trans	-72	-21.4	178.1	-61.7	-85.2	0	0	0	113	L324 T325 P326 K332 K369	L324-D328 HydrophobicContact CD2-CB 3.72Å; T325-D328 WeakPolarHBondContact CA-OD2 3.28Å; T325-D328 WeakPolarHBondContact CB-OD2 3.18Å; T325-D328 PolarHBondContact N-OD2 3.36Å; T325-D328 WeakPolarHBondContact O-CB 3.46Å; T325-D328 PolarHBondContact O-N 2.88Å; T325-D328 PolarHBondContact OG1-OD2 3.09Å; P326-D328 VanDerWaalsContact C-N 3.33Å; D328-K332 WeakPolarHBondContact O-CD 3.28Å; D328-K332 WeakPolarHBondContact O-CE 3.5Å; D328-K332 PolarHBondContact O-NZ 3.23Å; D328-K369 IonicContact OD1-NZ 3.25Å; D328-K369 PolarHBondContact OD1-NZ 3.35Å
329	I	96.8	Very high	96.5	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-120.1	-26.1	-167.3	69.9	166.4	0	0	0	115.5	I311 C314 I318 L324 P326 V327 K332 F337	I311-I329 HydrophobicContact CD1-CB 4.2Å; I311-I329 HydrophobicContact CD1-CD1 4.26Å; I311-I329 HydrophobicContact CD1-CG1 4.48Å; I311-I329 HydrophobicContact CG2-CD1 4.48Å; I311-I329 HydrophobicContact CG2-CG1 4.5Å; C314-I329 HydrophobicContact CB-CD1 3.84Å; C314-I329 HydrophobicContact CB-CG1 4.42Å; I318-I329 HydrophobicContact CD1-CD1 3.46Å; I318-I329 VanDerWaalsContact CD1-CD1 3.46Å; L324-I329 HydrophobicContact CB-CG2 4.14Å; L324-I329 HydrophobicContact CD1-CG2 4.09Å; L324-I329 HydrophobicContact CD2-CG2 4.21Å; L324-I329 HydrophobicContact CG-CG2 4.4Å; P326-I329 PolarHBondContact O-N 3.43Å; V327-I329 VanDerWaalsContact C-N 3.27Å; V327-I329 PolarHBondContact O-N 3.31Å; I329-K332 PolarHBondContact O-N 2.89Å; I329-F337 HydrophobicContact CB-CE2 3.9Å; I329-F337 HydrophobicContact CB-CZ 3.81Å; I329-F337 HydrophobicContact CG2-CE1 3.88Å; I329-F337 HydrophobicContact CG2-CE2 3.99Å; I329-F337 HydrophobicContact CG2-CZ 3.52Å
330	V	98.1	Very high	96.6	Very high	64 Å²	64	53.7 Å²	53.7	39%	0.388	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	140.1	177.4	166.9	0	0	0	0	110.3	I311 P326 K332	I311-V330 HydrophobicContact CG2-CG2 4.1Å; I311-V330 WeakPolarHBondContact O-CA 3.33Å; P326-V330 WeakPolarHBondContact O-CB 3.38Å; P326-V330 VanDerWaalsContact O-CG2 3.24Å; P326-V330 WeakPolarHBondContact O-CG2 3.38Å; P326-V330 PolarHBondContact O-N 3.27Å; V330-K332 VanDerWaalsContact C-N 3.28Å; V330-K332 PolarHBondContact O-N 2.63Å
331	G	97.2	Very high	96.8	Very high	52 Å²	52	54.8 Å²	54.8	54%	0.536	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.1	-10	-173.9	0	0	0	0	0	114.8	N310 I311	N310-G331 WeakPolarHBondContact OD1-CA 3.35Å; N310-G331 PolarHBondContact OD1-O 3.47Å; N310-G331 VanDerWaalsContact OD1-O 3.09Å; I311-G331 PolarHBondContact O-N 3.08Å
332	K	97.7	Very high	97.1	Very high	100 Å²	100	54 Å²	54	44%	0.435	29%	0.294	S	S	.	.	S	Bend	trans	-100	148.7	174.5	-65.2	167.2	-177.9	169.5	0	110.9	N310 I311 D328 I329 V330 F337	N310-K332 PolarHBondContact OD1-N 3.21Å; N310-K332 PolarHBondContact OD1-O 3.33Å; I311-K332 WeakPolarHBondContact CB-O 3.32Å; I311-K332 WeakPolarHBondContact CG1-O 3.32Å; I311-K332 PolarHBondContact N-O 3.48Å; D328-K332 WeakPolarHBondContact O-CD 3.28Å; D328-K332 WeakPolarHBondContact O-CE 3.5Å; D328-K332 PolarHBondContact O-NZ 3.23Å; I329-K332 PolarHBondContact O-N 2.89Å; V330-K332 VanDerWaalsContact C-N 3.28Å; V330-K332 PolarHBondContact O-N 2.63Å; K332-F337 HydrophobicContact CB-CE2 3.89Å; K332-F337 HydrophobicContact CB-CZ 4.19Å; K332-F337 HydrophobicContact CD-CE2 4.26Å; K332-F337 HydrophobicContact CD-CZ 3.68Å
333	R	97.7	Very high	97.3	Very high	120 Å²	120	55.6 Å²	55.6	45%	0.453	30%	0.304	S	S	.	.	B	Isolated β-bridge	trans	-74.2	142.4	170.3	-67.8	178.5	174.9	153.4	-1.2	111.7	D308 L309 N310 Y335 H336	D308-R333 IonicContact OD2-CZ 2.72Å; D308-R333 IonicContact OD2-NE 3.53Å; D308-R333 PolarHBondContact OD2-NE 2.85Å; D308-R333 IonicContact OD2-NH2 3.62Å; D308-R333 PolarHBondContact OD2-NH2 3.2Å; L309-R333 CarbonylContact O-C 3.6Å; L309-R333 VanDerWaalsContact O-CA 3.3Å; L309-R333 WeakPolarHBondContact O-CA 3.29Å; N310-R333 HydrophobicContact CB-CG 3.98Å; R333-Y335 PolarHBondContact O-N 3.3Å; R333-H336 PolarHBondContact N-ND1 3.32Å; R333-H336 PolarHBondContact O-N 3.02Å; R333-H336 PolarHBondContact O-ND1 3.44Å
334	C	98.1	Very high	97.5	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.007	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-51	-31.6	176.8	-64.5	0	0	0	0	113.6	L309 H336 F337 I338	L309-C334 HydrophobicContact CB-CB 4.1Å; L309-C334 PolarHBondContact O-N 3.27Å; L309-C334 PolarHBondContact O-SG 2.92Å; C334-H336 PolarHBondContact O-N 3.45Å; C334-H336 VanDerWaalsContact O-N 3.16Å; C334-F337 PolarHBondContact O-N 3.46Å; C334-I338 HydrophobicContact CB-CD1 4.21Å; C334-I338 WeakPolarHBondContact O-CG1 3.41Å; C334-I338 PolarHBondContact O-N 2.92Å
335	Y	98.3	Very high	97.6	Very high	68 Å²	68	58.5 Å²	58.5	27%	0.267	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-59.1	-22.5	178.6	-64.8	-62.2	0	0	0	114.9	L309 R333 F337 I338 V343 I346 H350	L309-Y335 HydrophobicContact CD1-CE2 4.23Å; R333-Y335 PolarHBondContact O-N 3.3Å; Y335-F337 PolarHBondContact O-N 3.2Å; Y335-I338 HydrophobicContact CD1-CD1 4.06Å; Y335-V343 HydrophobicContact CD1-CG1 4.14Å; Y335-V343 HydrophobicContact CE1-CG1 4.47Å; Y335-I346 HydrophobicContact CE1-CG2 4.28Å; Y335-H350 PolarHBondContact OH-ND1 2.7Å; Y335-H350 VanDerWaalsContact OH-ND1 3.15Å
336	H	97.1	Very high	97.7	Very high	110 Å²	110	56.1 Å²	56.1	51%	0.509	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-72.8	-14.8	173.3	-54.7	94.9	0	0	0	113.2	R333 C334 M367	R333-H336 PolarHBondContact N-ND1 3.32Å; R333-H336 PolarHBondContact O-N 3.02Å; R333-H336 PolarHBondContact O-ND1 3.44Å; C334-H336 PolarHBondContact O-N 3.45Å; C334-H336 VanDerWaalsContact O-N 3.16Å; H336-M367 WeakPolarHBondContact O-CE 3.28Å
337	F	97.8	Very high	97.7	Very high	18 Å²	18	60.8 Å²	60.8	8%	0.079	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-7.2	-177.6	-56.4	-70.5	0	0	0	113.2	I311 L324 I329 K332 C334 Y335 W366 M367	I311-F337 HydrophobicContact CD1-CD2 4.28Å; I311-F337 HydrophobicContact CD1-CE2 4.11Å; L324-F337 HydrophobicContact CD1-CD1 4.15Å; L324-F337 HydrophobicContact CD1-CE1 4.25Å; I329-F337 HydrophobicContact CB-CE2 3.9Å; I329-F337 HydrophobicContact CB-CZ 3.81Å; I329-F337 HydrophobicContact CG2-CE1 3.88Å; I329-F337 HydrophobicContact CG2-CE2 3.99Å; I329-F337 HydrophobicContact CG2-CZ 3.52Å; K332-F337 HydrophobicContact CB-CE2 3.89Å; K332-F337 HydrophobicContact CB-CZ 4.19Å; K332-F337 HydrophobicContact CD-CE2 4.26Å; K332-F337 HydrophobicContact CD-CZ 3.68Å; C334-F337 PolarHBondContact O-N 3.46Å; Y335-F337 PolarHBondContact O-N 3.2Å; F337-W366 HydrophobicContact CB-CD2 4.22Å; F337-W366 HydrophobicContact CB-CG 4.33Å; F337-W366 HydrophobicContact CB-CZ2 4.13Å; F337-W366 HydrophobicContact CD2-CZ2 4.1Å; F337-W366 HydrophobicContact CG-CZ2 4.21Å; F337-W366 AromaticContact CG-NE1 3.78Å; F337-W366 CarbonylContact O-C 3.57Å; F337-W366 WeakPolarHBondContact O-CA 3.33Å; F337-M367 PolarHBondContact O-N 3.41Å
338	I	98.4	Very high	97.8	Very high	4 Å²	4	59.5 Å²	59.5	2%	0.021	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	-87.7	126.4	179.6	-66.6	157.2	0	0	0	108.2	C334 Y335 A340 D342 V343 I346 Y364	C334-I338 HydrophobicContact CB-CD1 4.21Å; C334-I338 WeakPolarHBondContact O-CG1 3.41Å; C334-I338 PolarHBondContact O-N 2.92Å; Y335-I338 HydrophobicContact CD1-CD1 4.06Å; I338-A340 PolarHBondContact O-N 3.32Å; I338-D342 HydrophobicContact CG2-CB 3.89Å; I338-V343 HydrophobicContact CB-CG2 4.22Å; I338-V343 HydrophobicContact CG2-CG2 3.82Å; I338-I346 HydrophobicContact CD1-CB 3.97Å; I338-I346 HydrophobicContact CD1-CG1 3.95Å; I338-I346 HydrophobicContact CD1-CG2 3.64Å; I338-I346 HydrophobicContact CG1-CG1 4.43Å; I338-I346 HydrophobicContact CG2-CG1 4.06Å; I338-Y364 HydrophobicContact CG1-CD2 4.07Å; I338-Y364 HydrophobicContact CG1-CE2 3.96Å; I338-Y364 HydrophobicContact CG2-CD2 4.42Å
339	H	98.4	Very high	97.9	Very high	33 Å²	33	58.2 Å²	58.2	15%	0.153	30%	0.3	C	S	.	.			trans	-54.6	134.1	175.5	-179.1	-95.2	0	0	0	110.9	E341 D342 V343 R365 M367	H339-E341 VanDerWaalsContact C-N 3.26Å; H339-E341 IonicContact CE1-OE2 2.83Å; H339-E341 PolarHBondContact O-N 2.8Å; H339-D342 PolarHBondContact O-N 3.26Å; H339-V343 PolarHBondContact O-N 2.7Å; H339-R365 HydrophobicContact CB-CB 3.64Å; H339-R365 PolarHBondContact CE1-NH1 3.43Å; H339-R365 VanDerWaalsContact CE1-NH1 3.29Å; H339-R365 PolarHBondContact N-O 3.14Å; H339-R365 VanDerWaalsContact ND1-CZ 3.25Å; H339-R365 PolarHBondContact ND1-NH1 2.97Å; H339-M367 HydrophobicContact CB-CG 4.31Å
340	A	97.9	Very high	98	Very high	85 Å²	85	59 Å²	59	70%	0.702	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-51.4	-39	-166.1	0	0	0	0	0	114.9	I338 D342 V343	I338-A340 PolarHBondContact O-N 3.32Å; A340-D342 VanDerWaalsContact C-N 3.29Å; A340-D342 PolarHBondContact O-N 3.16Å; A340-V343 WeakPolarHBondContact O-CB 3.3Å; A340-V343 PolarHBondContact O-N 2.96Å
341	E	98.3	Very high	98	Very high	141 Å²	141	60 Å²	60	66%	0.659	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-64	-28.4	177.7	-174.6	-179.3	-157.6	0	0	113.6	H339 R365	H339-E341 VanDerWaalsContact C-N 3.26Å; H339-E341 IonicContact CE1-OE2 2.83Å; H339-E341 PolarHBondContact O-N 2.8Å; E341-R365 IonicContact OE2-CZ 2.74Å; E341-R365 VanDerWaalsContact OE2-CZ 3.22Å; E341-R365 IonicContact OE2-NH1 3.84Å; E341-R365 PolarHBondContact OE2-NH1 3.45Å; E341-R365 IonicContact OE2-NH2 2.76Å; E341-R365 PolarHBondContact OE2-NH2 3.15Å
342	D	98.6	Very high	97.9	Very high	24 Å²	24	58.3 Å²	58.3	13%	0.128	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-89.4	-12.9	-178.7	-60.9	-30.6	0	0	0	113.2	I338 H339 A340 E344 G345 I346 R365	I338-D342 HydrophobicContact CG2-CB 3.89Å; H339-D342 PolarHBondContact O-N 3.26Å; A340-D342 VanDerWaalsContact C-N 3.29Å; A340-D342 PolarHBondContact O-N 3.16Å; D342-E344 VanDerWaalsContact C-N 3.32Å; D342-E344 PolarHBondContact O-N 3.39Å; D342-G345 WeakPolarHBondContact O-CA 3.23Å; D342-G345 PolarHBondContact O-N 2.84Å; D342-I346 PolarHBondContact O-N 2.67Å; D342-R365 VanDerWaalsContact CG-NH2 3.31Å; D342-R365 IonicContact OD1-CZ 2.81Å; D342-R365 IonicContact OD1-NE 3.55Å; D342-R365 IonicContact OD1-NH2 2.7Å; D342-R365 PolarHBondContact OD1-NH2 3.02Å; D342-R365 WeakPolarHBondContact OD2-CB 3.28Å; D342-R365 IonicContact OD2-CZ 2.66Å; D342-R365 PolarHBondContact OD2-N 3.15Å; D342-R365 IonicContact OD2-NE 2.71Å; D342-R365 PolarHBondContact OD2-NE 2.95Å; D342-R365 IonicContact OD2-NH2 2.75Å; D342-R365 PolarHBondContact OD2-NH2 2.91Å
343	V	98.1	Very high	97.8	Very high	47 Å²	47	53.6 Å²	53.6	29%	0.285	27%	0.265	S	S	.	.	H	α-helix	trans	-57.7	-41.9	-172.3	172.6	0	0	0	0	112.1	Y335 I338 H339 A340 G345 I346 R347	Y335-V343 HydrophobicContact CD1-CG1 4.14Å; Y335-V343 HydrophobicContact CE1-CG1 4.47Å; I338-V343 HydrophobicContact CB-CG2 4.22Å; I338-V343 HydrophobicContact CG2-CG2 3.82Å; H339-V343 PolarHBondContact O-N 2.7Å; A340-V343 WeakPolarHBondContact O-CB 3.3Å; A340-V343 PolarHBondContact O-N 2.96Å; V343-G345 VanDerWaalsContact C-N 3.32Å; V343-G345 PolarHBondContact O-N 2.88Å; V343-I346 PolarHBondContact O-N 2.8Å; V343-R347 WeakPolarHBondContact O-CB 3.43Å; V343-R347 PolarHBondContact O-N 2.78Å
344	E	97.8	Very high	97.6	Very high	105 Å²	105	51.4 Å²	51.4	49%	0.491	26%	0.262	S	S	.	.	H	α-helix	trans	-66.2	-35.3	177.2	178.8	56.4	-160	0	0	112	D342 R347 H348	D342-E344 VanDerWaalsContact C-N 3.32Å; D342-E344 PolarHBondContact O-N 3.39Å; E344-R347 PolarHBondContact O-N 3.13Å; E344-R347 IonicContact OE1-CZ 2.71Å; E344-R347 IonicContact OE1-NE 3.56Å; E344-R347 IonicContact OE1-NH2 2.71Å; E344-R347 PolarHBondContact OE1-NH2 2.85Å; E344-R347 IonicContact OE2-CZ 3.22Å; E344-R347 IonicContact OE2-NE 3.41Å; E344-R347 PolarHBondContact OE2-NE 2.78Å; E344-R347 IonicContact OE2-NH2 2.75Å; E344-R347 PolarHBondContact OE2-NH2 3.48Å; E344-H348 PolarHBondContact O-N 2.98Å
345	G	97.3	Very high	97.5	Very high	20 Å²	20	55.9 Å²	55.9	21%	0.206	29%	0.285	C	S	.	.	H	α-helix	trans	-62.8	-44.3	173.6	0	0	0	0	0	112.2	D342 V343 H348 S349	D342-G345 WeakPolarHBondContact O-CA 3.23Å; D342-G345 PolarHBondContact O-N 2.84Å; V343-G345 VanDerWaalsContact C-N 3.32Å; V343-G345 PolarHBondContact O-N 2.88Å; G345-H348 PolarHBondContact O-N 3.36Å; G345-S349 PolarHBondContact O-N 3.27Å; G345-S349 VanDerWaalsContact O-N 3.12Å; G345-S349 PolarHBondContact O-OG 3.34Å
346	I	98.5	Very high	97.3	Very high	3 Å²	3	53.5 Å²	53.5	2%	0.015	28%	0.276	C	S	.	.	H	α-helix	trans	-71.9	-36.3	176.4	-59.2	-59.4	0	0	0	111.9	L309 Y335 I338 D342 V343 H348 S349 H350 T361 Y364 W396	L309-I346 HydrophobicContact CD1-CG2 4.47Å; Y335-I346 HydrophobicContact CE1-CG2 4.28Å; I338-I346 HydrophobicContact CD1-CB 3.97Å; I338-I346 HydrophobicContact CD1-CG1 3.95Å; I338-I346 HydrophobicContact CD1-CG2 3.64Å; I338-I346 HydrophobicContact CG1-CG1 4.43Å; I338-I346 HydrophobicContact CG2-CG1 4.06Å; D342-I346 PolarHBondContact O-N 2.67Å; V343-I346 PolarHBondContact O-N 2.8Å; I346-H348 VanDerWaalsContact C-N 3.26Å; I346-H348 PolarHBondContact O-N 3.01Å; I346-S349 PolarHBondContact O-N 2.8Å; I346-H350 VanDerWaalsContact O-CB 3.32Å; I346-H350 WeakPolarHBondContact O-CB 3.38Å; I346-H350 PolarHBondContact O-N 2.89Å; I346-T361 HydrophobicContact CD1-CG2 3.68Å; I346-Y364 HydrophobicContact CD1-CD1 3.68Å; I346-Y364 HydrophobicContact CD1-CD2 4.26Å; I346-Y364 HydrophobicContact CD1-CE1 4.11Å; I346-Y364 HydrophobicContact CD1-CG 3.74Å; I346-Y364 HydrophobicContact CG1-CD2 4.36Å; I346-Y364 HydrophobicContact CG1-CG 4.2Å; I346-W396 HydrophobicContact CG2-CH2 4.32Å
347	R	98.4	Very high	97	Very high	118 Å²	118	49.3 Å²	49.3	45%	0.445	26%	0.263	S	S	.	.	H	α-helix	trans	-59.1	-39.6	174	-166.2	-171	70.3	82.1	3	111.3	V343 E344 L351	V343-R347 WeakPolarHBondContact O-CB 3.43Å; V343-R347 PolarHBondContact O-N 2.78Å; E344-R347 PolarHBondContact O-N 3.13Å; E344-R347 IonicContact OE1-CZ 2.71Å; E344-R347 IonicContact OE1-NE 3.56Å; E344-R347 IonicContact OE1-NH2 2.71Å; E344-R347 PolarHBondContact OE1-NH2 2.85Å; E344-R347 IonicContact OE2-CZ 3.22Å; E344-R347 IonicContact OE2-NE 3.41Å; E344-R347 PolarHBondContact OE2-NE 2.78Å; E344-R347 IonicContact OE2-NH2 2.75Å; E344-R347 PolarHBondContact OE2-NH2 3.48Å; R347-L351 PolarHBondContact O-N 3.21Å
348	H	97.8	Very high	96.8	Very high	103 Å²	103	49.5 Å²	49.5	48%	0.477	26%	0.264	S	S	.	.	H	α-helix	trans	-66.3	-49.4	173.9	-168.4	87.4	0	0	0	112.2	E344 G345 I346 H350 L351 D352	E344-H348 PolarHBondContact O-N 2.98Å; G345-H348 PolarHBondContact O-N 3.36Å; I346-H348 VanDerWaalsContact C-N 3.26Å; I346-H348 PolarHBondContact O-N 3.01Å; H348-H350 VanDerWaalsContact C-N 3.25Å; H348-H350 PolarHBondContact O-N 2.57Å; H348-L351 WeakPolarHBondContact O-CB 3.29Å; H348-L351 PolarHBondContact O-N 3.47Å; H348-L351 VanDerWaalsContact O-N 3.1Å; H348-D352 PolarHBondContact O-N 3.46Å
349	S	98.3	Very high	96.6	Very high	7 Å²	7	49.3 Å²	49.3	5%	0.049	26%	0.263	C	S	.	.	H	α-helix	trans	-59.5	-35.1	175.4	-66.6	0	0	0	0	112.9	G345 I346 D352 L353 C359	G345-S349 PolarHBondContact O-N 3.27Å; G345-S349 VanDerWaalsContact O-N 3.12Å; G345-S349 PolarHBondContact O-OG 3.34Å; I346-S349 PolarHBondContact O-N 2.8Å; S349-D352 WeakPolarHBondContact O-CB 3.46Å; S349-D352 PolarHBondContact O-N 3.4Å; S349-L353 WeakPolarHBondContact O-CB 3.48Å; S349-L353 PolarHBondContact O-N 3.32Å; S349-C359 PolarHBondContact O-SG 2.76Å; S349-C359 VanDerWaalsContact O-SG 3.35Å
350	H	98.3	Very high	96.5	Very high	16 Å²	16	48.8 Å²	48.8	7%	0.074	26%	0.262	C	S	.	.	H	α-helix	trans	-67.8	-39.9	174.8	-175.1	-163.7	0	0	0	111.8	M307 L309 Y335 I346 H348 D352 L353 L354	M307-H350 PolarHBondContact O-NE2 2.88Å; L309-H350 HydrophobicContact CD1-CB 4.21Å; Y335-H350 PolarHBondContact OH-ND1 2.7Å; Y335-H350 VanDerWaalsContact OH-ND1 3.15Å; I346-H350 VanDerWaalsContact O-CB 3.32Å; I346-H350 WeakPolarHBondContact O-CB 3.38Å; I346-H350 PolarHBondContact O-N 2.89Å; H348-H350 VanDerWaalsContact C-N 3.25Å; H348-H350 PolarHBondContact O-N 2.57Å; H350-D352 PolarHBondContact O-N 2.84Å; H350-L353 WeakPolarHBondContact O-CB 3.3Å; H350-L353 PolarHBondContact O-N 2.7Å; H350-L354 VanDerWaalsContact O-CG 3.31Å; H350-L354 WeakPolarHBondContact O-CG 3.21Å; H350-L354 PolarHBondContact O-N 2.97Å
351	L	97.6	Very high	96.5	Very high	85 Å²	85	45 Å²	45	45%	0.445	23%	0.23	S	C	.	.	H	α-helix	trans	-62.5	-41.7	173.3	-177.3	60.5	0	0	0	111.9	R347 H348 L354 N355	R347-L351 PolarHBondContact O-N 3.21Å; H348-L351 WeakPolarHBondContact O-CB 3.29Å; H348-L351 PolarHBondContact O-N 3.47Å; H348-L351 VanDerWaalsContact O-N 3.1Å; L351-L354 PolarHBondContact O-N 3.3Å; L351-N355 WeakPolarHBondContact CD1-ND2 3.43Å; L351-N355 WeakPolarHBondContact O-CB 3.32Å; L351-N355 VanDerWaalsContact O-CG 3.29Å; L351-N355 PolarHBondContact O-N 2.93Å; L351-N355 PolarHBondContact O-ND2 3.4Å; L351-N355 VanDerWaalsContact O-ND2 3.15Å
352	D	95.8	Very high	96.4	Very high	17 Å²	17	44.8 Å²	44.8	9%	0.091	23%	0.227	C	C	.	.	H	α-helix	trans	-58.9	-47.2	171.8	-96.6	-34.1	0	0	0	112	F232 H348 S349 H350 L354 N355 K356 C359	F232-D352 HydrophobicContact CD2-CB 4.32Å; F232-D352 WeakPolarHBondContact CD2-OD2 3.26Å; H348-D352 PolarHBondContact O-N 3.46Å; S349-D352 WeakPolarHBondContact O-CB 3.46Å; S349-D352 PolarHBondContact O-N 3.4Å; H350-D352 PolarHBondContact O-N 2.84Å; D352-L354 VanDerWaalsContact C-N 3.34Å; D352-L354 PolarHBondContact O-N 3.24Å; D352-N355 PolarHBondContact O-N 3.48Å; D352-K356 WeakPolarHBondContact O-CB 3.2Å; D352-K356 PolarHBondContact O-N 2.88Å; D352-K356 WeakPolarHBondContact OD1-CD 3.06Å; D352-K356 VanDerWaalsContact OD1-CE 3.26Å; D352-K356 WeakPolarHBondContact OD1-CE 3.38Å; D352-K356 IonicContact OD1-NZ 3.93Å; D352-K356 PolarHBondContact OD1-NZ 3.45Å; D352-C359 HydrophobicContact CB-CB 4.31Å
353	L	95.4	Very high	96.4	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-57.1	-44.9	178.2	179.9	60.3	0	0	0	112.1	S349 H350 G357 C359 A380 I382 I394 W396	S349-L353 WeakPolarHBondContact O-CB 3.48Å; S349-L353 PolarHBondContact O-N 3.32Å; H350-L353 WeakPolarHBondContact O-CB 3.3Å; H350-L353 PolarHBondContact O-N 2.7Å; L353-G357 CarbonylContact O-C 3.58Å; L353-G357 WeakPolarHBondContact O-CA 3.17Å; L353-G357 PolarHBondContact O-N 3.07Å; L353-C359 HydrophobicContact CB-CB 4.15Å; L353-A380 HydrophobicContact CD1-CB 4.08Å; L353-A380 HydrophobicContact CD2-CB 3.72Å; L353-I382 HydrophobicContact CD1-CG1 4.18Å; L353-I382 HydrophobicContact CG-CG1 4.35Å; L353-I382 WeakPolarHBondContact O-CD1 3.31Å; L353-I394 HydrophobicContact CD2-CD1 3.67Å; L353-I394 HydrophobicContact CD2-CG1 4.02Å; L353-I394 HydrophobicContact CD2-CG2 3.81Å; L353-I394 HydrophobicContact CG-CD1 4.36Å; L353-W396 HydrophobicContact CD2-CE3 4.38Å; L353-W396 HydrophobicContact CD2-CZ3 4.05Å
354	L	94.4	Very high	96.4	Very high	75 Å²	75	45.1 Å²	45.1	39%	0.393	22%	0.222	S	C	.	.	H	α-helix	trans	-65.9	-40.9	177.6	-66.8	174.3	0	0	0	112.3	M307 H350 L351 D352	M307-L354 HydrophobicContact CE-CD2 3.39Å; H350-L354 VanDerWaalsContact O-CG 3.31Å; H350-L354 WeakPolarHBondContact O-CG 3.21Å; H350-L354 PolarHBondContact O-N 2.97Å; L351-L354 PolarHBondContact O-N 3.3Å; D352-L354 VanDerWaalsContact C-N 3.34Å; D352-L354 PolarHBondContact O-N 3.24Å
355	N	94.4	Very high	96.5	Very high	94 Å²	94	41.5 Å²	41.5	50%	0.503	20%	0.204	S	C	.	.	H	α-helix	trans	-80	-33.7	-175.6	-73.5	-30.2	0	0	0	114.2	R234 L351 D352	R234-N355 PolarHBondContact NH1-O 2.85Å; L351-N355 WeakPolarHBondContact CD1-ND2 3.43Å; L351-N355 WeakPolarHBondContact O-CB 3.32Å; L351-N355 VanDerWaalsContact O-CG 3.29Å; L351-N355 PolarHBondContact O-N 2.93Å; L351-N355 PolarHBondContact O-ND2 3.4Å; L351-N355 VanDerWaalsContact O-ND2 3.15Å; D352-N355 PolarHBondContact O-N 3.48Å
356	K	93.7	Very high	96.5	Very high	18 Å²	18	40.5 Å²	40.5	8%	0.078	19%	0.194	C	C	.	.	H	α-helix	trans	-114.6	-20.2	-169.1	-62	167.1	-175.9	170	0	112.9	E173 F232 V253 D352	E173-K356 IonicContact OE1-NZ 3.94Å; E173-K356 PolarHBondContact OE1-NZ 3.09Å; E173-K356 WeakPolarHBondContact OE2-CE 3.33Å; E173-K356 IonicContact OE2-NZ 3.98Å; E173-K356 PolarHBondContact OE2-NZ 2.94Å; F232-K356 HydrophobicContact CB-CD 3.82Å; F232-K356 WeakPolarHBondContact O-CD 3.35Å; F232-K356 WeakPolarHBondContact O-CE 3.29Å; F232-K356 PolarHBondContact O-NZ 2.74Å; V253-K356 WeakPolarHBondContact CG2-O 3.2Å; D352-K356 WeakPolarHBondContact O-CB 3.2Å; D352-K356 PolarHBondContact O-N 2.88Å; D352-K356 WeakPolarHBondContact OD1-CD 3.06Å; D352-K356 VanDerWaalsContact OD1-CE 3.26Å; D352-K356 WeakPolarHBondContact OD1-CE 3.38Å; D352-K356 IonicContact OD1-NZ 3.93Å; D352-K356 PolarHBondContact OD1-NZ 3.45Å
357	G	91.9	Very high	96.5	Very high	22 Å²	22	41.1 Å²	41.1	23%	0.227	20%	0.197	C	C	.	.	S	Bend	trans	98.7	-17.1	174.1	0	0	0	0	0	115.1	L353 I382	L353-G357 CarbonylContact O-C 3.58Å; L353-G357 WeakPolarHBondContact O-CA 3.17Å; L353-G357 PolarHBondContact O-N 3.07Å; G357-I382 PolarHBondContact O-N 3.22Å
358	Q	93.4	Very high	96.4	Very high	22 Å²	22	35.9 Å²	35.9	10%	0.103	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	148.3	179	-50.5	-170.2	-102.3	0	0	109.4	V253 L286 P287 A380 T381	V253-Q358 HydrophobicContact CB-CB 4.04Å; V253-Q358 HydrophobicContact CB-CG 4.33Å; V253-Q358 HydrophobicContact CG1-CB 4.23Å; V253-Q358 HydrophobicContact CG2-CB 3.95Å; V253-Q358 HydrophobicContact CG2-CG 3.97Å; L286-Q358 HydrophobicContact CB-CB 4.42Å; L286-Q358 HydrophobicContact CD1-CB 3.64Å; P287-Q358 PolarHBondContact O-NE2 3.13Å; Q358-A380 WeakPolarHBondContact CA-O 3.44Å; Q358-T381 HydrophobicContact CG-CG2 3.9Å; Q358-T381 WeakPolarHBondContact CG-OG1 3.41Å; Q358-T381 PolarHBondContact NE2-OG1 3.28Å
359	C	95.1	Very high	96.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	168.1	170.3	78	0	0	0	0	111.2	F232 S349 D352 L353 A380	F232-C359 HydrophobicContact CE2-CB 4.4Å; F232-C359 HydrophobicContact CZ-CB 4.43Å; S349-C359 PolarHBondContact O-SG 2.76Å; S349-C359 VanDerWaalsContact O-SG 3.35Å; D352-C359 HydrophobicContact CB-CB 4.31Å; L353-C359 HydrophobicContact CB-CB 4.15Å; C359-A380 PolarHBondContact N-O 2.81Å; C359-A380 PolarHBondContact O-N 3.16Å
360	V	96.2	Very high	95.8	Very high	23 Å²	23	40.4 Å²	40.4	14%	0.139	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	135.8	162.7	-178.8	0	0	0	0	107.4	F232 L286 Q377 S378	F232-V360 HydrophobicContact CE1-CB 4.22Å; F232-V360 HydrophobicContact CE1-CG2 4.37Å; F232-V360 HydrophobicContact CZ-CB 4.03Å; F232-V360 VanDerWaalsContact CZ-O 3.3Å; F232-V360 WeakPolarHBondContact CZ-O 3.4Å; L286-V360 HydrophobicContact CD1-CG2 4.34Å; L286-V360 HydrophobicContact CD2-CG2 3.55Å; V360-Q377 HydrophobicContact CG1-CG 4Å; V360-S378 WeakPolarHBondContact CA-O 3.22Å
361	T	97.7	Very high	95.6	Very high	5 Å²	5	39.7 Å²	39.7	3%	0.031	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-74	163.8	179.4	68.1	0	0	0	0	111.4	I346 Y364 Q377 S378 W396	I346-T361 HydrophobicContact CD1-CG2 3.68Å; T361-Y364 HydrophobicContact CG2-CE1 4.31Å; T361-Q377 WeakPolarHBondContact O-CG 3.3Å; T361-Q377 PolarHBondContact O-NE2 3.11Å; T361-S378 PolarHBondContact N-O 3.14Å; T361-S378 PolarHBondContact OG1-N 2.92Å; T361-W396 HydrophobicContact CG2-CH2 3.87Å; T361-W396 HydrophobicContact CG2-CZ2 3.73Å
362	K	95.8	Very high	95.6	Very high	137 Å²	137	35.7 Å²	35.7	60%	0.596	18%	0.176	S	C	*	.	P	Polyproline II helix	trans	-64.1	169.5	153.1	-63.9	176.3	-176.4	173.4	0	109.5	Y364	K362-Y364 PolarHBondContact O-N 2.9Å
363	Y	98.2	Very high	95.7	Very high	76 Å²	76	35.7 Å²	35.7	30%	0.298	18%	0.175	S	C	.	.	P	Polyproline II helix	trans	-61.8	133	163.6	-52.3	-37.2	0	0	0	108.8	I376 Q377 L401 N768	Y363-I376 WeakPolarHBondContact CA-O 3.36Å; Y363-Q377 HydrophobicContact CD1-CB 3.98Å; Y363-Q377 HydrophobicContact CD1-CG 4.2Å; Y363-Q377 HydrophobicContact CE1-CB 4.26Å; Y363-Q377 HydrophobicContact CE1-CG 4.38Å; Y363-L401 HydrophobicContact CD1-CD1 3.36Å; Y363-L401 HydrophobicContact CE1-CD1 3.9Å; Y363-L401 HydrophobicContact CG-CD1 3.87Å; Y363-N768 HydrophobicContact CE2-CB 4.38Å
364	Y	98.7	Very high	95.8	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.008	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	160.9	-179.4	74.5	-83.4	0	0	0	111.2	I338 I346 T361 K362 W366 W375 I376 S378 W396	I338-Y364 HydrophobicContact CG1-CD2 4.07Å; I338-Y364 HydrophobicContact CG1-CE2 3.96Å; I338-Y364 HydrophobicContact CG2-CD2 4.42Å; I346-Y364 HydrophobicContact CD1-CD1 3.68Å; I346-Y364 HydrophobicContact CD1-CD2 4.26Å; I346-Y364 HydrophobicContact CD1-CE1 4.11Å; I346-Y364 HydrophobicContact CD1-CG 3.74Å; I346-Y364 HydrophobicContact CG1-CD2 4.36Å; I346-Y364 HydrophobicContact CG1-CG 4.2Å; T361-Y364 HydrophobicContact CG2-CE1 4.31Å; K362-Y364 PolarHBondContact O-N 2.9Å; Y364-W366 HydrophobicContact CE2-CB 4.46Å; Y364-W366 AromaticContact CE2-CE3 3.89Å; Y364-W366 HydrophobicContact CE2-CE3 3.89Å; Y364-W375 WeakPolarHBondContact O-CA 3.18Å; Y364-I376 HydrophobicContact CD1-CB 4.41Å; Y364-I376 VanDerWaalsContact CD1-O 3.3Å; Y364-I376 WeakPolarHBondContact CD1-O 3.44Å; Y364-I376 HydrophobicContact CE1-CB 4Å; Y364-I376 HydrophobicContact CE1-CG2 3.71Å; Y364-I376 PolarHBondContact N-O 3.06Å; Y364-I376 PolarHBondContact O-N 2.99Å; Y364-S378 PolarHBondContact OH-OG 3.09Å; Y364-S378 VanDerWaalsContact OH-OG 3.09Å; Y364-W396 PolarHBondContact OH-NE1 2.96Å
365	R	98.6	Very high	96	Very high	28 Å²	28	35.6 Å²	35.6	11%	0.106	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	120.5	-177.3	-66.5	162.4	-77.6	-171.1	-10.3	110.4	H339 E341 D342 Y373 I374 W375	H339-R365 HydrophobicContact CB-CB 3.64Å; H339-R365 PolarHBondContact CE1-NH1 3.43Å; H339-R365 VanDerWaalsContact CE1-NH1 3.29Å; H339-R365 PolarHBondContact N-O 3.14Å; H339-R365 VanDerWaalsContact ND1-CZ 3.25Å; H339-R365 PolarHBondContact ND1-NH1 2.97Å; E341-R365 IonicContact OE2-CZ 2.74Å; E341-R365 VanDerWaalsContact OE2-CZ 3.22Å; E341-R365 IonicContact OE2-NH1 3.84Å; E341-R365 PolarHBondContact OE2-NH1 3.45Å; E341-R365 IonicContact OE2-NH2 2.76Å; E341-R365 PolarHBondContact OE2-NH2 3.15Å; D342-R365 VanDerWaalsContact CG-NH2 3.31Å; D342-R365 IonicContact OD1-CZ 2.81Å; D342-R365 IonicContact OD1-NE 3.55Å; D342-R365 IonicContact OD1-NH2 2.7Å; D342-R365 PolarHBondContact OD1-NH2 3.02Å; D342-R365 WeakPolarHBondContact OD2-CB 3.28Å; D342-R365 IonicContact OD2-CZ 2.66Å; D342-R365 PolarHBondContact OD2-N 3.15Å; D342-R365 IonicContact OD2-NE 2.71Å; D342-R365 PolarHBondContact OD2-NE 2.95Å; D342-R365 IonicContact OD2-NH2 2.75Å; D342-R365 PolarHBondContact OD2-NH2 2.91Å; R365-Y373 HydrophobicContact CB-CD1 4.22Å; R365-Y373 HydrophobicContact CB-CD2 3.7Å; R365-Y373 HydrophobicContact CB-CE2 4.35Å; R365-Y373 HydrophobicContact CB-CG 3.66Å; R365-Y373 HydrophobicContact CG-CD1 4.24Å; R365-Y373 HydrophobicContact CG-CD2 3.45Å; R365-Y373 VanDerWaalsContact CG-CD2 3.45Å; R365-Y373 HydrophobicContact CG-CE1 4.34Å; R365-Y373 HydrophobicContact CG-CE2 3.6Å; R365-Y373 HydrophobicContact CG-CG 3.84Å; R365-I374 CarbonylContact C-O 3.6Å; R365-I374 WeakPolarHBondContact CA-O 3.4Å; R365-W375 HydrophobicContact CG-CD2 3.8Å; R365-W375 HydrophobicContact CG-CE3 3.73Å; R365-W375 HydrophobicContact CG-CH2 3.71Å; R365-W375 HydrophobicContact CG-CZ2 3.77Å; R365-W375 HydrophobicContact CG-CZ3 3.69Å
366	W	98.3	Very high	96.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	110.3	172.9	-167.6	-58.5	0	0	0	109.3	I311 M322 F337 Y364 Q368 Y373 I374 I376	I311-W366 HydrophobicContact CD1-CH2 4.28Å; I311-W366 HydrophobicContact CD1-CZ2 4.35Å; M322-W366 HydrophobicContact CE-CB 4.1Å; M322-W366 VanDerWaalsContact CE-CD1 3.48Å; M322-W366 HydrophobicContact CE-CD2 3.78Å; M322-W366 HydrophobicContact CE-CE3 4.49Å; M322-W366 HydrophobicContact CE-CG 3.53Å; M322-W366 HydrophobicContact SD-CG 4.43Å; F337-W366 HydrophobicContact CB-CD2 4.22Å; F337-W366 HydrophobicContact CB-CG 4.33Å; F337-W366 HydrophobicContact CB-CZ2 4.13Å; F337-W366 HydrophobicContact CD2-CZ2 4.1Å; F337-W366 HydrophobicContact CG-CZ2 4.21Å; F337-W366 AromaticContact CG-NE1 3.78Å; F337-W366 CarbonylContact O-C 3.57Å; F337-W366 WeakPolarHBondContact O-CA 3.33Å; Y364-W366 HydrophobicContact CE2-CB 4.46Å; Y364-W366 AromaticContact CE2-CE3 3.89Å; Y364-W366 HydrophobicContact CE2-CE3 3.89Å; W366-Q368 PolarHBondContact O-NE2 3.04Å; W366-Y373 CarbonylContact O-C 3.54Å; W366-Y373 VanDerWaalsContact O-CA 3.27Å; W366-Y373 WeakPolarHBondContact O-CA 3.29Å; W366-Y373 WeakPolarHBondContact O-CB 3.36Å; W366-I374 HydrophobicContact CB-CG1 4.28Å; W366-I374 PolarHBondContact N-O 3.25Å; W366-I374 PolarHBondContact O-N 2.99Å; W366-I376 HydrophobicContact CB-CD1 3.66Å; W366-I376 HydrophobicContact CB-CG1 4.29Å; W366-I376 HydrophobicContact CD2-CD1 4.11Å; W366-I376 HydrophobicContact CE3-CD1 3.84Å; W366-I376 HydrophobicContact CG-CD1 4.07Å
367	M	97.9	Very high	96.4	Very high	15 Å²	15	32.8 Å²	32.8	7%	0.074	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	134.8	-177.2	-61.6	-170.5	-63.3	0	0	111.1	H336 F337 H339 G372 M411 D412	H336-M367 WeakPolarHBondContact O-CE 3.28Å; F337-M367 PolarHBondContact O-N 3.41Å; H339-M367 HydrophobicContact CB-CG 4.31Å; M367-G372 WeakPolarHBondContact CA-O 3.3Å; M367-M411 HydrophobicContact SD-CB 4.23Å; M367-D412 HydrophobicContact CE-CB 3.71Å; M367-D412 HydrophobicContact SD-CB 3.85Å
368	Q	96.6	Very high	96.6	Very high	8 Å²	8	31.8 Å²	31.8	4%	0.037	14%	0.143	C	C	.	.			trans	-81.3	176.8	178.9	-64.3	-53.7	-89.4	0	0	111.1	M322 D323 W366 G371 G372 I374 P404 Q415	M322-Q368 VanDerWaalsContact CA-OE1 3.27Å; D323-Q368 WeakPolarHBondContact OD1-CA 3.27Å; D323-Q368 VanDerWaalsContact OD1-CB 3.28Å; D323-Q368 WeakPolarHBondContact OD1-CB 3.39Å; D323-Q368 PolarHBondContact OD1-OE1 2.94Å; W366-Q368 PolarHBondContact O-NE2 3.04Å; Q368-G371 WeakPolarHBondContact CB-O 3.2Å; Q368-G372 PolarHBondContact N-O 3.39Å; Q368-I374 HydrophobicContact CG-CG2 4.46Å; Q368-P404 HydrophobicContact CG-CB 4.48Å; Q368-Q415 WeakPolarHBondContact O-CG 3.44Å; Q368-Q415 PolarHBondContact O-NE2 3.1Å
369	K	94.3	Very high	96.6	Very high	92 Å²	92	31.4 Å²	31.4	40%	0.4	14%	0.143	S	C	.	.	S	Bend	trans	-74.7	-37.7	179	-170.5	170.7	178.7	166.1	0	112.9	D323 L324 D328 Q415	D323-K369 HydrophobicContact CB-CB 4.31Å; D323-K369 VanDerWaalsContact CG-CB 3.47Å; D323-K369 WeakPolarHBondContact O-CD 3.49Å; D323-K369 WeakPolarHBondContact OD1-CB 3.46Å; D323-K369 PolarHBondContact OD1-N 3.13Å; D323-K369 WeakPolarHBondContact OD2-CB 3.46Å; D323-K369 PolarHBondContact OD2-N 3.36Å; D323-K369 VanDerWaalsContact OD2-N 3.08Å; L324-K369 HydrophobicContact CD2-CB 3.76Å; L324-K369 HydrophobicContact CD2-CD 4.29Å; L324-K369 HydrophobicContact CD2-CG 4.19Å; L324-K369 HydrophobicContact CG-CB 4.13Å; D328-K369 IonicContact OD1-NZ 3.25Å; D328-K369 PolarHBondContact OD1-NZ 3.35Å; K369-Q415 WeakPolarHBondContact O-CA 3.45Å
370	N	89.6	Confident	96.5	Very high	114 Å²	114	31.4 Å²	31.4	61%	0.61	14%	0.143	S	C	*	.	S	Bend	trans	-103.9	-7	-170	-59.6	-79.3	0	0	0	115	D323	D323-N370 PolarHBondContact OD2-N 3.18Å; D323-N370 PolarHBondContact OD2-ND2 2.83Å
371	G	94.4	Very high	96.3	Very high	1 Å²	1	31 Å²	31	1%	0.01	14%	0.14	C	C	.	.	S	Bend	trans	141.9	156.1	-175.2	0	0	0	0	0	111.8	Q368 K407	Q368-G371 WeakPolarHBondContact CB-O 3.2Å; G371-K407 CarbonylContact C-O 3.55Å; G371-K407 WeakPolarHBondContact CA-O 3.42Å; G371-K407 WeakPolarHBondContact O-CA 3.38Å
372	G	97.4	Very high	96	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.146	C	C	.	.			trans	65.6	-158.8	-179.6	0	0	0	0	0	114.7	M367 Q368 E405 Y406 T409 Q415	M367-G372 WeakPolarHBondContact CA-O 3.3Å; Q368-G372 PolarHBondContact N-O 3.39Å; G372-E405 VanDerWaalsContact CA-O 3.24Å; G372-E405 WeakPolarHBondContact CA-O 3.31Å; G372-Y406 WeakPolarHBondContact CA-O 3.48Å; G372-Y406 PolarHBondContact N-O 3.24Å; G372-T409 PolarHBondContact N-O 3.17Å; G372-Q415 PolarHBondContact O-NE2 3.24Å
373	Y	98	Very high	95.5	Very high	18 Å²	18	26.2 Å²	26.2	7%	0.071	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	171.3	-171.9	60.7	-104.7	0	0	0	112.9	R365 W366 W375 P404 E405 Y406	R365-Y373 HydrophobicContact CB-CD1 4.22Å; R365-Y373 HydrophobicContact CB-CD2 3.7Å; R365-Y373 HydrophobicContact CB-CE2 4.35Å; R365-Y373 HydrophobicContact CB-CG 3.66Å; R365-Y373 HydrophobicContact CG-CD1 4.24Å; R365-Y373 HydrophobicContact CG-CD2 3.45Å; R365-Y373 VanDerWaalsContact CG-CD2 3.45Å; R365-Y373 HydrophobicContact CG-CE1 4.34Å; R365-Y373 HydrophobicContact CG-CE2 3.6Å; R365-Y373 HydrophobicContact CG-CG 3.84Å; W366-Y373 CarbonylContact O-C 3.54Å; W366-Y373 VanDerWaalsContact O-CA 3.27Å; W366-Y373 WeakPolarHBondContact O-CA 3.29Å; W366-Y373 WeakPolarHBondContact O-CB 3.36Å; Y373-W375 AromaticContact CE2-CD1 3.92Å; Y373-W375 AromaticContact CE2-CE2 3.99Å; Y373-W375 AromaticContact CE2-NE1 3.53Å; Y373-P404 WeakPolarHBondContact O-CA 3.43Å; Y373-E405 HydrophobicContact CD2-CB 4.26Å; Y373-E405 HydrophobicContact CE2-CB 3.66Å; Y373-E405 HydrophobicContact CE2-CG 4.2Å; Y373-E405 WeakPolarHBondContact CE2-OE2 3.44Å; Y373-E405 VanDerWaalsContact CZ-OE2 3.3Å; Y373-E405 PolarHBondContact N-O 3.4Å; Y373-E405 VanDerWaalsContact N-O 3.09Å; Y373-E405 PolarHBondContact O-N 3.19Å; Y373-E405 PolarHBondContact OH-OE2 2.9Å; Y373-Y406 AromaticContact CE1-CD2 3.91Å; Y373-Y406 HydrophobicContact CE1-CD2 3.91Å; Y373-Y406 AromaticContact CZ-CD2 3.87Å; Y373-Y406 WeakPolarHBondContact OH-CD2 3.47Å; Y373-Y406 WeakPolarHBondContact OH-CE2 3.35Å
374	I	97.8	Very high	94.7	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	151	159.8	64.1	172.5	0	0	0	111.6	M322 R365 W366 Q368 I376 L400 P404	M322-I374 HydrophobicContact CE-CD1 3.6Å; M322-I374 HydrophobicContact CE-CG1 4.07Å; M322-I374 HydrophobicContact CG-CD1 3.81Å; M322-I374 HydrophobicContact SD-CD1 4.5Å; R365-I374 CarbonylContact C-O 3.6Å; R365-I374 WeakPolarHBondContact CA-O 3.4Å; W366-I374 HydrophobicContact CB-CG1 4.28Å; W366-I374 PolarHBondContact N-O 3.25Å; W366-I374 PolarHBondContact O-N 2.99Å; Q368-I374 HydrophobicContact CG-CG2 4.46Å; I374-I376 HydrophobicContact CD1-CD1 4.07Å; I374-I376 HydrophobicContact CD1-CG1 4.2Å; I374-I376 HydrophobicContact CG1-CD1 4.14Å; I374-I376 HydrophobicContact CG1-CG1 4.08Å; I374-L400 HydrophobicContact CD1-CD1 3.62Å; I374-L400 HydrophobicContact CD1-CD2 4.15Å; I374-L400 HydrophobicContact CD1-CG 3.86Å; I374-P404 HydrophobicContact CG2-CB 4.22Å; I374-P404 HydrophobicContact CG2-CG 3.78Å
375	W	98.4	Very high	93.5	Very high	73 Å²	73	28.7 Å²	28.7	28%	0.277	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	133.2	172.3	-71.6	100.4	0	0	0	111.8	Y364 R365 Y373 L401 S402 E405	Y364-W375 WeakPolarHBondContact O-CA 3.18Å; R365-W375 HydrophobicContact CG-CD2 3.8Å; R365-W375 HydrophobicContact CG-CE3 3.73Å; R365-W375 HydrophobicContact CG-CH2 3.71Å; R365-W375 HydrophobicContact CG-CZ2 3.77Å; R365-W375 HydrophobicContact CG-CZ3 3.69Å; Y373-W375 AromaticContact CE2-CD1 3.92Å; Y373-W375 AromaticContact CE2-CE2 3.99Å; Y373-W375 AromaticContact CE2-NE1 3.53Å; W375-L401 HydrophobicContact CB-CB 3.81Å; W375-L401 HydrophobicContact CB-CD1 4.31Å; W375-L401 WeakPolarHBondContact O-CB 3.11Å; W375-L401 PolarHBondContact O-N 2.96Å; W375-S402 PolarHBondContact N-OG 3.36Å; W375-E405 PolarHBondContact NE1-OE1 3.23Å; W375-E405 PolarHBondContact NE1-OE2 3.35Å
376	I	98.2	Very high	92.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	147.4	179.6	-63.6	-173.7	0	0	0	110	F301 M322 Y363 Y364 W366 I374 S378 N398 Y399	F301-I376 HydrophobicContact CE1-CD1 4.28Å; F301-I376 HydrophobicContact CZ-CD1 4.37Å; M322-I376 HydrophobicContact CE-CD1 3.65Å; Y363-I376 WeakPolarHBondContact CA-O 3.36Å; Y364-I376 HydrophobicContact CD1-CB 4.41Å; Y364-I376 VanDerWaalsContact CD1-O 3.3Å; Y364-I376 WeakPolarHBondContact CD1-O 3.44Å; Y364-I376 HydrophobicContact CE1-CB 4Å; Y364-I376 HydrophobicContact CE1-CG2 3.71Å; Y364-I376 PolarHBondContact N-O 3.06Å; Y364-I376 PolarHBondContact O-N 2.99Å; W366-I376 HydrophobicContact CB-CD1 3.66Å; W366-I376 HydrophobicContact CB-CG1 4.29Å; W366-I376 HydrophobicContact CD2-CD1 4.11Å; W366-I376 HydrophobicContact CE3-CD1 3.84Å; W366-I376 HydrophobicContact CG-CD1 4.07Å; I374-I376 HydrophobicContact CD1-CD1 4.07Å; I374-I376 HydrophobicContact CD1-CG1 4.2Å; I374-I376 HydrophobicContact CG1-CD1 4.14Å; I374-I376 HydrophobicContact CG1-CG1 4.08Å; I376-S378 WeakPolarHBondContact CG2-OG 3.27Å; I376-N398 HydrophobicContact CG2-CB 4.02Å; I376-Y399 WeakPolarHBondContact CA-O 3.35Å
377	Q	97.4	Very high	91.2	Very high	53 Å²	53	42.2 Å²	42.2	25%	0.248	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	145.4	152.4	-164.1	170.4	28.9	0	0	108.6	V360 T361 Y363 Y399 L401	V360-Q377 HydrophobicContact CG1-CG 4Å; T361-Q377 WeakPolarHBondContact O-CG 3.3Å; T361-Q377 PolarHBondContact O-NE2 3.11Å; Y363-Q377 HydrophobicContact CD1-CB 3.98Å; Y363-Q377 HydrophobicContact CD1-CG 4.2Å; Y363-Q377 HydrophobicContact CE1-CB 4.26Å; Y363-Q377 HydrophobicContact CE1-CG 4.38Å; Q377-Y399 PolarHBondContact N-O 3.01Å; Q377-Y399 WeakPolarHBondContact O-CB 3.32Å; Q377-Y399 WeakPolarHBondContact O-CD2 3.47Å; Q377-Y399 PolarHBondContact O-N 3.47Å; Q377-L401 HydrophobicContact CB-CD1 4.26Å
378	S	96.1	Very high	90.2	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	137.5	176.4	-54.7	0	0	0	0	112.4	V360 T361 Y364 I376 W396 V397 N398	V360-S378 WeakPolarHBondContact CA-O 3.22Å; T361-S378 PolarHBondContact N-O 3.14Å; T361-S378 PolarHBondContact OG1-N 2.92Å; Y364-S378 PolarHBondContact OH-OG 3.09Å; Y364-S378 VanDerWaalsContact OH-OG 3.09Å; I376-S378 WeakPolarHBondContact CG2-OG 3.27Å; S378-W396 PolarHBondContact OG-NE1 2.66Å; S378-W396 VanDerWaalsContact OG-NE1 3.08Å; S378-V397 CarbonylContact C-O 3.57Å; S378-V397 WeakPolarHBondContact CA-O 3.42Å; S378-N398 PolarHBondContact OG-OD1 3Å
379	S	93.9	Very high	89.2	Confident	14 Å²	14	48 Å²	48	10%	0.098	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	122	168.5	-174.7	0	0	0	0	108.2	V397	S379-V397 PolarHBondContact N-O 2.99Å; S379-V397 PolarHBondContact O-N 3.17Å
380	A	93.7	Very high	88.4	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	144	-171.6	0	0	0	0	0	111.3	L353 Q358 C359 I394 I395 W396	L353-A380 HydrophobicContact CD1-CB 4.08Å; L353-A380 HydrophobicContact CD2-CB 3.72Å; Q358-A380 WeakPolarHBondContact CA-O 3.44Å; C359-A380 PolarHBondContact N-O 2.81Å; C359-A380 PolarHBondContact O-N 3.16Å; A380-I394 HydrophobicContact CB-CG2 4.26Å; A380-I395 WeakPolarHBondContact CA-O 3.32Å; A380-W396 HydrophobicContact CB-CD2 3.97Å; A380-W396 HydrophobicContact CB-CE3 3.31Å; A380-W396 HydrophobicContact CB-CH2 4.45Å; A380-W396 HydrophobicContact CB-CZ3 3.6Å
381	T	92.1	Very high	88.1	Confident	14 Å²	14	48.5 Å²	48.5	9%	0.086	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	133.1	-176.2	-73.1	0	0	0	0	111.6	P289 Q358 A383 I394 I395	P289-T381 HydrophobicContact CB-CG2 3.42Å; P289-T381 VanDerWaalsContact CB-CG2 3.42Å; Q358-T381 HydrophobicContact CG-CG2 3.9Å; Q358-T381 WeakPolarHBondContact CG-OG1 3.41Å; Q358-T381 PolarHBondContact NE2-OG1 3.28Å; T381-A383 PolarHBondContact O-N 3.4Å; T381-I394 WeakPolarHBondContact O-CA 3.49Å; T381-I395 PolarHBondContact N-O 2.94Å; T381-I395 PolarHBondContact O-N 3.31Å
382	I	90.6	Very high	87.7	Confident	30 Å²	30	53.5 Å²	53.5	15%	0.154	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	115.4	173.9	-58.8	176.4	0	0	0	109.2	M307 L353 G357 K392 I394	M307-I382 HydrophobicContact CE-CD1 3.82Å; M307-I382 HydrophobicContact CE-CG1 4.36Å; M307-I382 HydrophobicContact SD-CG2 4.44Å; L353-I382 HydrophobicContact CD1-CG1 4.18Å; L353-I382 HydrophobicContact CG-CG1 4.35Å; L353-I382 WeakPolarHBondContact O-CD1 3.31Å; G357-I382 PolarHBondContact O-N 3.22Å; I382-K392 HydrophobicContact CG2-CB 4.24Å; I382-K392 HydrophobicContact CG2-CG 4.49Å; I382-I394 HydrophobicContact CG1-CG1 4.02Å
383	A	85.4	Confident	87.3	Confident	12 Å²	12	54.1 Å²	54.1	10%	0.099	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	130.6	168.7	0	0	0	0	0	110.4	T381 N393 I395	T381-A383 PolarHBondContact O-N 3.4Å; A383-N393 PolarHBondContact N-O 3Å; A383-N393 PolarHBondContact O-N 3.47Å; A383-N393 PolarHBondContact O-ND2 2.93Å; A383-N393 VanDerWaalsContact O-O 3.1Å; A383-I395 HydrophobicContact CB-CD1 3.71Å; A383-I395 HydrophobicContact CB-CG1 3.95Å
384	I	80.8	Confident	87.1	Confident	81 Å²	81	53.2 Å²	53.2	42%	0.415	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	129.3	173.6	-57.9	174.2	0	0	0	107.5	A386 A389 K392	I384-A386 PolarHBondContact O-N 3.28Å; I384-A389 HydrophobicContact CG2-CB 4.3Å; I384-K392 HydrophobicContact CG1-CG 4.49Å
385	N	73.8	Confident	86.8	Confident	49 Å²	49	54.2 Å²	54.2	26%	0.262	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	121.3	176.6	-176.7	-11.9	0	0	0	110.3	K387 N388 E391	N385-K387 PolarHBondContact O-N 3.42Å; N385-K387 VanDerWaalsContact O-N 3.13Å; N385-K387 PolarHBondContact OD1-N 2.77Å; N385-N388 CarbonylContact O-C 3.53Å; N385-N388 PolarHBondContact O-N 2.91Å; N385-N388 VanDerWaalsContact O-O 3.08Å; N385-E391 HydrophobicContact CB-CB 3.99Å; N385-E391 HydrophobicContact CB-CG 4.48Å; N385-E391 PolarHBondContact N-O 2.56Å; N385-E391 PolarHBondContact ND2-OE2 3Å
386	A	72.3	Confident	86.6	Confident	111 Å²	111	50.8 Å²	50.8	92%	0.917	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-20	179.8	0	0	0	0	0	114.1	I384	I384-A386 PolarHBondContact O-N 3.28Å
387	K	77.3	Confident	86.4	Confident	201 Å²	201	51.3 Å²	51.3	87%	0.874	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-23.1	173.7	-62.7	-176.5	179	-178.8	0	113.5	N385	N385-K387 PolarHBondContact O-N 3.42Å; N385-K387 VanDerWaalsContact O-N 3.13Å; N385-K387 PolarHBondContact OD1-N 2.77Å
388	N	75.8	Confident	86.3	Confident	76 Å²	76	48.8 Å²	48.8	41%	0.406	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	98.2	-176.8	-180	3.1	0	0	0	109.8	N385 N390 E391	N385-N388 CarbonylContact O-C 3.53Å; N385-N388 PolarHBondContact O-N 2.91Å; N385-N388 VanDerWaalsContact O-O 3.08Å; N388-N390 PolarHBondContact O-N 2.87Å; N388-N390 WeakPolarHBondContact OD1-CB 3.32Å; N388-N390 PolarHBondContact OD1-N 3.33Å; N388-N390 VanDerWaalsContact OD1-N 3.16Å; N388-E391 HydrophobicContact CB-CB 4.34Å; N388-E391 PolarHBondContact O-N 2.8Å
389	A	76.4	Confident	86.2	Confident	70 Å²	70	52.7 Å²	52.7	58%	0.579	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63	-14.5	-175.9	0	0	0	0	0	114.5	I384	I384-A389 HydrophobicContact CG2-CB 4.3Å
390	N	77.4	Confident	86.3	Confident	144 Å²	144	53.1 Å²	53.1	77%	0.77	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.7	-25.1	175.9	-61.5	-13.5	0	0	0	112.2	N388 K392	N388-N390 PolarHBondContact O-N 2.87Å; N388-N390 WeakPolarHBondContact OD1-CB 3.32Å; N388-N390 PolarHBondContact OD1-N 3.33Å; N388-N390 VanDerWaalsContact OD1-N 3.16Å; N390-K392 PolarHBondContact O-N 2.85Å
391	E	82.3	Confident	86.4	Confident	72 Å²	72	57.2 Å²	57.2	34%	0.336	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	103.8	175.3	-169.8	-158.8	150.8	0	0	109.9	R304 N385 N388	R304-E391 IonicContact CZ-OE1 2.67Å; R304-E391 IonicContact NH2-OE1 3.71Å; R304-E391 PolarHBondContact NH2-OE1 3.48Å; N385-E391 HydrophobicContact CB-CB 3.99Å; N385-E391 HydrophobicContact CB-CG 4.48Å; N385-E391 PolarHBondContact N-O 2.56Å; N385-E391 PolarHBondContact ND2-OE2 3Å; N388-E391 HydrophobicContact CB-CB 4.34Å; N388-E391 PolarHBondContact O-N 2.8Å
392	K	86.3	Confident	86.6	Confident	106 Å²	106	57.5 Å²	57.5	46%	0.461	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	137.8	173.8	-62.4	176.4	-173.8	170.6	0	109.7	M307 I382 I384 N390	M307-K392 HydrophobicContact CG-CB 4.31Å; M307-K392 HydrophobicContact SD-CB 3.78Å; I382-K392 HydrophobicContact CG2-CB 4.24Å; I382-K392 HydrophobicContact CG2-CG 4.49Å; I384-K392 HydrophobicContact CG1-CG 4.49Å; N390-K392 PolarHBondContact O-N 2.85Å
393	N	90.2	Very high	86.8	Confident	12 Å²	12	62.2 Å²	62.2	6%	0.064	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	159	173.2	59.1	106.5	0	0	0	108.5	R304 A383	R304-N393 HydrophobicContact CG-CB 4.31Å; R304-N393 PolarHBondContact NE-OD1 2.7Å; R304-N393 PolarHBondContact NH2-ND2 3.25Å; A383-N393 PolarHBondContact N-O 3Å; A383-N393 PolarHBondContact O-N 3.47Å; A383-N393 PolarHBondContact O-ND2 2.93Å; A383-N393 VanDerWaalsContact O-O 3.1Å
394	I	92.9	Very high	87.3	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	125.7	178.2	-70.5	159	0	0	0	108.1	R304 V305 M307 L309 L353 A380 T381 I382 W396	R304-I394 WeakPolarHBondContact CA-O 3.16Å; V305-I394 HydrophobicContact CG2-CB 3.62Å; V305-I394 HydrophobicContact CG2-CD1 4.45Å; V305-I394 HydrophobicContact CG2-CG2 3.72Å; V305-I394 PolarHBondContact N-O 3.28Å; V305-I394 PolarHBondContact O-N 3.22Å; M307-I394 HydrophobicContact SD-CD1 4.25Å; M307-I394 HydrophobicContact SD-CG1 4.21Å; L309-I394 HydrophobicContact CD2-CD1 4.11Å; L353-I394 HydrophobicContact CD2-CD1 3.67Å; L353-I394 HydrophobicContact CD2-CG1 4.02Å; L353-I394 HydrophobicContact CD2-CG2 3.81Å; L353-I394 HydrophobicContact CG-CD1 4.36Å; A380-I394 HydrophobicContact CB-CG2 4.26Å; T381-I394 WeakPolarHBondContact O-CA 3.49Å; I382-I394 HydrophobicContact CG1-CG1 4.02Å; I394-W396 HydrophobicContact CG2-CB 4.34Å; I394-W396 HydrophobicContact CG2-CE3 3.98Å
395	I	92.2	Very high	88.1	Confident	21 Å²	21	63.9 Å²	63.9	11%	0.108	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	125.3	163.1	-57.4	165.4	0	0	0	106.1	I291 V302 A380 T381 A383 V397	I291-I395 HydrophobicContact CB-CD1 4.12Å; V302-I395 HydrophobicContact CG1-CG2 3.97Å; A380-I395 WeakPolarHBondContact CA-O 3.32Å; T381-I395 PolarHBondContact N-O 2.94Å; T381-I395 PolarHBondContact O-N 3.31Å; A383-I395 HydrophobicContact CB-CD1 3.71Å; A383-I395 HydrophobicContact CB-CG1 3.95Å; I395-V397 HydrophobicContact CG2-CG2 4.07Å
396	W	93.9	Very high	89.2	Confident	1 Å²	1	68.8 Å²	68.8	0%	0.004	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	101.4	-175.2	-169.9	-79.4	0	0	0	108	T303 L309 I346 L353 T361 Y364 S378 A380 I394 N398	T303-W396 PolarHBondContact N-O 3.19Å; T303-W396 PolarHBondContact O-N 2.82Å; T303-W396 PolarHBondContact OG1-O 3.17Å; L309-W396 HydrophobicContact CD1-CH2 4.48Å; L309-W396 HydrophobicContact CD1-CZ3 4.4Å; L309-W396 HydrophobicContact CD2-CE3 4.01Å; L309-W396 HydrophobicContact CD2-CZ3 3.81Å; I346-W396 HydrophobicContact CG2-CH2 4.32Å; L353-W396 HydrophobicContact CD2-CE3 4.38Å; L353-W396 HydrophobicContact CD2-CZ3 4.05Å; T361-W396 HydrophobicContact CG2-CH2 3.87Å; T361-W396 HydrophobicContact CG2-CZ2 3.73Å; Y364-W396 PolarHBondContact OH-NE1 2.96Å; S378-W396 PolarHBondContact OG-NE1 2.66Å; S378-W396 VanDerWaalsContact OG-NE1 3.08Å; A380-W396 HydrophobicContact CB-CD2 3.97Å; A380-W396 HydrophobicContact CB-CE3 3.31Å; A380-W396 HydrophobicContact CB-CH2 4.45Å; A380-W396 HydrophobicContact CB-CZ3 3.6Å; I394-W396 HydrophobicContact CG2-CB 4.34Å; I394-W396 HydrophobicContact CG2-CE3 3.98Å; W396-N398 PolarHBondContact NE1-OD1 2.73Å; W396-N398 VanDerWaalsContact NE1-OD1 3.09Å; W396-N398 PolarHBondContact O-ND2 3.19Å
397	V	93.3	Very high	90.3	Very high	10 Å²	10	69.1 Å²	69.1	6%	0.061	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	116.3	-175.2	-176.6	0	0	0	0	108.6	V294 M300 V302 S378 S379 I395 Y399	V294-V397 HydrophobicContact CG1-CG1 4.42Å; M300-V397 HydrophobicContact CE-CG1 3.47Å; M300-V397 VanDerWaalsContact CE-CG1 3.47Å; V302-V397 HydrophobicContact CG2-CG2 4.36Å; S378-V397 CarbonylContact C-O 3.57Å; S378-V397 WeakPolarHBondContact CA-O 3.42Å; S379-V397 PolarHBondContact N-O 2.99Å; S379-V397 PolarHBondContact O-N 3.17Å; I395-V397 HydrophobicContact CG2-CG2 4.07Å; V397-Y399 HydrophobicContact CB-CE2 4.36Å; V397-Y399 HydrophobicContact CG1-CE2 3.98Å
398	N	95.4	Very high	91.1	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	130.1	-176.2	-51.7	-75.8	0	0	0	110.4	M300 F301 T303 I376 S378 W396	M300-N398 VanDerWaalsContact CA-O 3.27Å; M300-N398 WeakPolarHBondContact CA-O 3.39Å; F301-N398 HydrophobicContact CD1-CB 3.92Å; F301-N398 HydrophobicContact CD2-CB 4.45Å; F301-N398 HydrophobicContact CE1-CB 3.59Å; F301-N398 HydrophobicContact CE2-CB 4.16Å; F301-N398 VanDerWaalsContact CE2-ND2 3.32Å; F301-N398 WeakPolarHBondContact CE2-ND2 3.21Å; F301-N398 HydrophobicContact CG-CB 4.34Å; F301-N398 HydrophobicContact CZ-CB 3.71Å; F301-N398 PolarHBondContact N-O 3.34Å; F301-N398 VanDerWaalsContact N-O 3.15Å; F301-N398 WeakPolarHBondContact O-CB 3.42Å; F301-N398 PolarHBondContact O-N 2.94Å; F301-N398 PolarHBondContact O-ND2 3.43Å; F301-N398 VanDerWaalsContact O-ND2 3.09Å; T303-N398 PolarHBondContact OG1-ND2 3.25Å; I376-N398 HydrophobicContact CG2-CB 4.02Å; S378-N398 PolarHBondContact OG-OD1 3Å; W396-N398 PolarHBondContact NE1-OD1 2.73Å; W396-N398 VanDerWaalsContact NE1-OD1 3.09Å; W396-N398 PolarHBondContact O-ND2 3.19Å
399	Y	94.4	Very high	92	Very high	82 Å²	82	65.3 Å²	65.3	32%	0.322	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	119.1	174.6	-58.4	-99.7	0	0	0	108	M300 I376 Q377 V397	M300-Y399 HydrophobicContact CE-CD1 3.9Å; M300-Y399 HydrophobicContact CE-CE1 3.37Å; M300-Y399 HydrophobicContact CG-CD1 3.85Å; M300-Y399 HydrophobicContact CG-CE1 4.27Å; M300-Y399 HydrophobicContact CG-CG 4.49Å; M300-Y399 HydrophobicContact SD-CD1 3.82Å; M300-Y399 HydrophobicContact SD-CE1 3.65Å; I376-Y399 WeakPolarHBondContact CA-O 3.35Å; Q377-Y399 PolarHBondContact N-O 3.01Å; Q377-Y399 WeakPolarHBondContact O-CB 3.32Å; Q377-Y399 WeakPolarHBondContact O-CD2 3.47Å; Q377-Y399 PolarHBondContact O-N 3.47Å; V397-Y399 HydrophobicContact CB-CE2 4.36Å; V397-Y399 HydrophobicContact CG1-CE2 3.98Å
400	L	95.3	Very high	92.9	Very high	23 Å²	23	65 Å²	65	12%	0.12	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	136.4	177.7	-120.7	80.8	0	0	0	110.8	H299 F301 Y321 I374	H299-L400 HydrophobicContact CB-CB 3.96Å; H299-L400 PolarHBondContact O-N 3.32Å; F301-L400 HydrophobicContact CD1-CD1 4.21Å; F301-L400 HydrophobicContact CE1-CD1 3.92Å; Y321-L400 HydrophobicContact CD1-CD2 4.1Å; Y321-L400 HydrophobicContact CD2-CD1 4.19Å; Y321-L400 HydrophobicContact CG-CD1 4.23Å; Y321-L400 HydrophobicContact CG-CD2 3.85Å; I374-L400 HydrophobicContact CD1-CD1 3.62Å; I374-L400 HydrophobicContact CD1-CD2 4.15Å; I374-L400 HydrophobicContact CD1-CG 3.86Å
401	L	96.3	Very high	93.8	Very high	86 Å²	86	62 Å²	62	45%	0.45	31%	0.309	S	S	.	.			trans	-116.3	-26.7	179.5	-51.4	175.4	0	0	0	112.8	Y363 W375 Q377	Y363-L401 HydrophobicContact CD1-CD1 3.36Å; Y363-L401 HydrophobicContact CE1-CD1 3.9Å; Y363-L401 HydrophobicContact CG-CD1 3.87Å; W375-L401 HydrophobicContact CB-CB 3.81Å; W375-L401 HydrophobicContact CB-CD1 4.31Å; W375-L401 WeakPolarHBondContact O-CB 3.11Å; W375-L401 PolarHBondContact O-N 2.96Å; Q377-L401 HydrophobicContact CB-CD1 4.26Å
402	S	96.4	Very high	94.4	Very high	20 Å²	20	61.4 Å²	61.4	14%	0.14	31%	0.309	C	S	.	.			trans	-138.1	166.2	179.5	80.8	0	0	0	0	113	W375	W375-S402 PolarHBondContact N-OG 3.36Å
403	N	95.5	Very high	94.7	Very high	129 Å²	129	61.5 Å²	61.5	69%	0.69	31%	0.313	S	S	*	.	S	Bend	trans	-79.7	172.4	157.5	-65.7	-26.8	0	0	0	109.8	E405	N403-E405 PolarHBondContact O-N 3.31Å
404	P	96.3	Very high	94.7	Very high	65 Å²	65	64.6 Å²	64.6	42%	0.422	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-55.5	121.2	176	-30.4	37.8	0	0	0	114.5	Q368 Y373 I374	Q368-P404 HydrophobicContact CG-CB 4.48Å; Y373-P404 WeakPolarHBondContact O-CA 3.43Å; I374-P404 HydrophobicContact CG2-CB 4.22Å; I374-P404 HydrophobicContact CG2-CG 3.78Å
405	E	97.4	Very high	94.7	Very high	63 Å²	63	65.1 Å²	65.1	29%	0.294	34%	0.343	S	S	.	.	B	Isolated β-bridge	trans	-102.2	145.4	174.1	-68.1	179.5	-166.9	0	0	110.2	G372 Y373 W375 N403 K407	G372-E405 VanDerWaalsContact CA-O 3.24Å; G372-E405 WeakPolarHBondContact CA-O 3.31Å; Y373-E405 HydrophobicContact CD2-CB 4.26Å; Y373-E405 HydrophobicContact CE2-CB 3.66Å; Y373-E405 HydrophobicContact CE2-CG 4.2Å; Y373-E405 WeakPolarHBondContact CE2-OE2 3.44Å; Y373-E405 VanDerWaalsContact CZ-OE2 3.3Å; Y373-E405 PolarHBondContact N-O 3.4Å; Y373-E405 VanDerWaalsContact N-O 3.09Å; Y373-E405 PolarHBondContact O-N 3.19Å; Y373-E405 PolarHBondContact OH-OE2 2.9Å; W375-E405 PolarHBondContact NE1-OE1 3.23Å; W375-E405 PolarHBondContact NE1-OE2 3.35Å; N403-E405 PolarHBondContact O-N 3.31Å; E405-K407 PolarHBondContact O-N 2.93Å; E405-K407 VanDerWaalsContact O-N 3.08Å
406	Y	96.9	Very high	94.7	Very high	153 Å²	153	68.2 Å²	68.2	60%	0.6	36%	0.359	S	S	*	.	S	Bend	trans	52.1	29.7	177	-55	-79.1	0	0	0	115.6	G372 Y373 D408 T409	G372-Y406 WeakPolarHBondContact CA-O 3.48Å; G372-Y406 PolarHBondContact N-O 3.24Å; Y373-Y406 AromaticContact CE1-CD2 3.91Å; Y373-Y406 HydrophobicContact CE1-CD2 3.91Å; Y373-Y406 AromaticContact CZ-CD2 3.87Å; Y373-Y406 WeakPolarHBondContact OH-CD2 3.47Å; Y373-Y406 WeakPolarHBondContact OH-CE2 3.35Å; Y406-D408 PolarHBondContact O-N 3.08Å; Y406-T409 PolarHBondContact O-N 2.95Å
407	K	94.9	Very high	94	Very high	118 Å²	118	73.1 Å²	73.1	51%	0.513	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.4	-25.1	-175.5	63.7	166.1	-177.2	67.6	0	116.6	G371 E405 T409	G371-K407 CarbonylContact C-O 3.55Å; G371-K407 WeakPolarHBondContact CA-O 3.42Å; G371-K407 WeakPolarHBondContact O-CA 3.38Å; E405-K407 PolarHBondContact O-N 2.93Å; E405-K407 VanDerWaalsContact O-N 3.08Å; K407-T409 VanDerWaalsContact C-N 3.35Å
408	D	94.4	Very high	92.4	Very high	127 Å²	127	81.7 Å²	81.7	68%	0.679	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	3.7	-176.6	-52.5	-64.9	0	0	0	112.7	Y406	Y406-D408 PolarHBondContact O-N 3.08Å
409	T	94.4	Very high	90.7	Very high	70 Å²	70	86.1 Å²	86.1	43%	0.429	45%	0.454	S	S	.	.	S	Bend	trans	-120.6	112.9	-178.9	-57.1	0	0	0	0	110.4	G372 Y406 K407 M411	G372-T409 PolarHBondContact N-O 3.17Å; Y406-T409 PolarHBondContact O-N 2.95Å; K407-T409 VanDerWaalsContact C-N 3.35Å; T409-M411 HydrophobicContact CG2-CE 3.75Å; T409-M411 HydrophobicContact CG2-SD 4.09Å
410	P	95.2	Very high	88.7	Confident	64 Å²	64	87.3 Å²	87.3	42%	0.416	47%	0.472	S	S	.	.			trans	-72	134.9	172.3	29.7	-33.2	0	0	0	111	Q415 L416	P410-Q415 HydrophobicContact CB-CB 3.96Å; P410-L416 HydrophobicContact CB-CD2 3.81Å; P410-L416 HydrophobicContact CG-CD2 3.72Å
411	M	95.3	Very high	86.3	Confident	79 Å²	79	95.2 Å²	95.2	39%	0.389	51%	0.508	S	S	.	.			trans	-110.5	-28.1	-178.4	-54.1	-62.4	178.8	0	0	112.3	M367 T409	M367-M411 HydrophobicContact SD-CB 4.23Å; T409-M411 HydrophobicContact CG2-CE 3.75Å; T409-M411 HydrophobicContact CG2-SD 4.09Å
412	D	95	Very high	83.8	Confident	60 Å²	60	100 Å²	100	32%	0.321	53%	0.525	S	S	.	.	S	Bend	trans	-128.2	157.3	178.1	-179.4	-105.7	0	0	0	111.8	M367 A414 Q415	M367-D412 HydrophobicContact CE-CB 3.71Å; M367-D412 HydrophobicContact SD-CB 3.85Å; D412-A414 PolarHBondContact O-N 3.4Å; D412-A414 WeakPolarHBondContact OD1-CB 3.34Å; D412-A414 PolarHBondContact OD1-N 3.21Å; D412-Q415 WeakPolarHBondContact O-CB 3.2Å; D412-Q415 PolarHBondContact O-N 3.23Å
413	I	93.4	Very high	81	Confident	108 Å²	108	104.7 Å²	104.7	55%	0.554	55%	0.553	S	S	*	*	G	3₁₀ helix	trans	-57.4	-31.8	177.9	-167.9	167.6	0	0	0	113	Q415 L416 L419	I413-Q415 PolarHBondContact O-N 3.28Å; I413-L416 PolarHBondContact O-N 3.4Å; I413-L419 HydrophobicContact CD1-CD1 4.15Å; I413-L419 HydrophobicContact CG1-CD1 3.41Å; I413-L419 VanDerWaalsContact CG1-CD1 3.41Å; I413-L419 VanDerWaalsContact O-CD1 3.26Å; I413-L419 WeakPolarHBondContact O-CD1 3.44Å
414	A	89.8	Confident	78.3	Confident	78 Å²	78	104.3 Å²	104.3	65%	0.645	56%	0.56	S	S	*	*	G	3₁₀ helix	trans	-68	-11.1	177	0	0	0	0	0	114.3	D412	D412-A414 PolarHBondContact O-N 3.4Å; D412-A414 WeakPolarHBondContact OD1-CB 3.34Å; D412-A414 PolarHBondContact OD1-N 3.21Å
415	Q	93.8	Very high	75.6	Confident	11 Å²	11	109.3 Å²	109.3	5%	0.051	58%	0.578	C	S	.	*	G	3₁₀ helix	trans	-94	-2.5	176.7	-59.5	-176.6	-42.1	0	0	113.2	Q368 K369 G372 P410 D412 I413	Q368-Q415 WeakPolarHBondContact O-CG 3.44Å; Q368-Q415 PolarHBondContact O-NE2 3.1Å; K369-Q415 WeakPolarHBondContact O-CA 3.45Å; G372-Q415 PolarHBondContact O-NE2 3.24Å; P410-Q415 HydrophobicContact CB-CB 3.96Å; D412-Q415 WeakPolarHBondContact O-CB 3.2Å; D412-Q415 PolarHBondContact O-N 3.23Å; I413-Q415 PolarHBondContact O-N 3.28Å
416	L	91.2	Very high	73	Confident	85 Å²	85	111.2 Å²	111.2	45%	0.445	60%	0.598	S	S	.	*	S	Bend	trans	-90.6	126.5	-179.6	-64.2	177.7	0	0	0	111.6	P410 I413 L419	P410-L416 HydrophobicContact CB-CD2 3.81Å; P410-L416 HydrophobicContact CG-CD2 3.72Å; I413-L416 PolarHBondContact O-N 3.4Å; L416-L419 HydrophobicContact CB-CD1 4.03Å
417	P	78.8	Confident	70.1	Confident	105 Å²	105	109.4 Å²	109.4	68%	0.682	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.7	147.7	175.7	29.3	-34.6	0	0	0	111.8	L419	P417-L419 PolarHBondContact O-N 2.86Å
418	H	59.4	Low	67.4	Low	190 Å²	190	112 Å²	112	88%	0.88	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	63.5	31.1	171.4	-50.8	-57.3	0	0	0	117.2
419	L	59.9	Low	64.6	Low	92 Å²	92	112 Å²	112	48%	0.482	63%	0.626	S	S	.	*			trans	-68.3	135.2	154.5	-73.9	159.2	0	0	0	109.5	I413 L416 P417 E421	I413-L419 HydrophobicContact CD1-CD1 4.15Å; I413-L419 HydrophobicContact CG1-CD1 3.41Å; I413-L419 VanDerWaalsContact CG1-CD1 3.41Å; I413-L419 VanDerWaalsContact O-CD1 3.26Å; I413-L419 WeakPolarHBondContact O-CD1 3.44Å; L416-L419 HydrophobicContact CB-CD1 4.03Å; P417-L419 PolarHBondContact O-N 2.86Å; L419-E421 PolarHBondContact O-N 3.1Å
420	P	52.6	Low	61.7	Low	108 Å²	108	113.7 Å²	113.7	70%	0.701	64%	0.641	S	S	*	*			trans	-67.4	133.2	173.6	28.2	-33.3	0	0	0	109.7	K422	P420-K422 PolarHBondContact O-N 3.36Å
421	E	45.6	Very low	59.1	Low	188 Å²	188	117.7 Å²	117.7	88%	0.879	66%	0.659	S	S	*	*			trans	-60.6	106.5	169	-70.2	-173	128.6	0	0	108.8	L419 T423	L419-E421 PolarHBondContact O-N 3.1Å; E421-T423 PolarHBondContact O-N 2.61Å
422	K	43.7	Very low	56.2	Low	188 Å²	188	118.5 Å²	118.5	82%	0.817	67%	0.673	S	S	*	*			trans	-68.6	101.5	163.8	-77.8	-168.2	173.7	-172.7	0	107.3	P420 S424	P420-K422 PolarHBondContact O-N 3.36Å; K422-S424 PolarHBondContact O-N 3.48Å; K422-S424 PolarHBondContact O-OG 2.9Å
423	T	37.1	Very low	53.5	Low	118 Å²	118	125.2 Å²	125.2	72%	0.724	70%	0.702	S	S	*	*			trans	-44	110.3	166.4	42.4	0	0	0	0	108.4	E421 E425	E421-T423 PolarHBondContact O-N 2.61Å; T423-E425 PolarHBondContact O-N 2.96Å
424	S	39.9	Very low	50.7	Low	121 Å²	121	125.5 Å²	125.5	85%	0.846	71%	0.714	S	S	*	*			trans	-81	71.4	-175.8	-62.7	0	0	0	0	108.7	K422 S426	K422-S424 PolarHBondContact O-N 3.48Å; K422-S424 PolarHBondContact O-OG 2.9Å; S424-S426 PolarHBondContact O-N 3.39Å
425	E	39.6	Very low	47.9	Very low	170 Å²	170	130 Å²	130	79%	0.794	73%	0.727	S	S	*	*			trans	-61	131.4	172.4	-66.4	-169.2	147.6	0	0	109.2	T423 S427	T423-E425 PolarHBondContact O-N 2.96Å; E425-S427 PolarHBondContact O-N 2.87Å; E425-S427 VanDerWaalsContact O-N 3.08Å
426	S	43.1	Very low	45.2	Very low	102 Å²	102	134.2 Å²	134.2	71%	0.713	76%	0.758	S	S	*	*			trans	-70	103.7	-177.9	47.5	0	0	0	0	110.2	S424 E428	S424-S426 PolarHBondContact O-N 3.39Å; S426-E428 PolarHBondContact O-N 3.29Å
427	S	35.5	Very low	42.6	Very low	115 Å²	115	140 Å²	140	80%	0.804	78%	0.779	S	S	*	*			trans	-70.4	79	163.9	61.1	0	0	0	0	109.7	E425 T429	E425-S427 PolarHBondContact O-N 2.87Å; E425-S427 VanDerWaalsContact O-N 3.08Å; S427-T429 PolarHBondContact O-N 2.86Å
428	E	36.8	Very low	40.4	Very low	172 Å²	172	141.8 Å²	141.8	80%	0.804	78%	0.783	S	S	*	*			trans	-64	129.6	162.5	-64.7	-166.5	134.4	0	0	108.5	S426 S430	S426-E428 PolarHBondContact O-N 3.29Å; E428-S430 PolarHBondContact O-N 3.19Å
429	T	36.7	Very low	39.1	Very low	127 Å²	127	139.1 Å²	139.1	78%	0.779	78%	0.78	S	S	*	*			trans	-75	94.4	-178.9	48.4	0	0	0	0	109.7	S427 D431	S427-T429 PolarHBondContact O-N 2.86Å; T429-D431 PolarHBondContact O-N 3.38Å
430	S	33.3	Very low	37.8	Very low	106 Å²	106	140.1 Å²	140.1	74%	0.741	80%	0.795	S	S	*	*			trans	-87.7	87.1	171.2	-168.8	0	0	0	0	109.4	E428 S432	E428-S430 PolarHBondContact O-N 3.19Å; S430-S432 PolarHBondContact O-N 3.03Å
431	D	40.2	Very low	36.8	Very low	148 Å²	148	138.7 Å²	138.7	79%	0.791	80%	0.8	S	S	*	*			trans	-61.1	126.4	170.8	-67.6	-46.2	0	0	0	109.6	T429	T429-D431 PolarHBondContact O-N 3.38Å
432	S	35.1	Very low	36.3	Very low	97 Å²	97	137.1 Å²	137.1	68%	0.678	80%	0.796	S	S	*	*			trans	-148.8	93.4	175.6	-72.4	0	0	0	0	108.4	S430	S430-S432 PolarHBondContact O-N 3.03Å
433	E	38.4	Very low	35.8	Very low	200 Å²	200	133.5 Å²	133.5	94%	0.935	79%	0.79	S	S	*	*			trans	-59.7	141.8	174.1	-59	-172.8	129.1	0	0	110.1
434	S	33.9	Very low	35.6	Very low	114 Å²	114	135.5 Å²	135.5	80%	0.797	79%	0.791	S	S	*	*			trans	-151.9	102.7	177.1	-75.6	0	0	0	0	108.9
435	D	32.1	Very low	35.3	Very low	172 Å²	172	136.6 Å²	136.6	92%	0.92	79%	0.787	S	S	*	*			trans	-55	137.5	-175.8	-93.7	-46.5	0	0	0	112.9
436	S	35.3	Very low	35	Very low	100 Å²	100	134.3 Å²	134.3	70%	0.699	78%	0.781	S	S	*	*			trans	-70	150.1	174.8	59	0	0	0	0	112.1
437	K	36.8	Very low	34.5	Very low	206 Å²	206	136.7 Å²	136.7	90%	0.896	78%	0.78	S	S	*	*			trans	-148.6	89.9	161	-132.5	169.4	-169.4	167.9	0	112.2
438	D	34	Very low	34.3	Very low	144 Å²	144	137.6 Å²	137.6	77%	0.77	78%	0.776	S	S	*	*			trans	-61.8	140.7	169	-68.7	-68.9	0	0	0	112.1
439	T	31.1	Very low	34.2	Very low	133 Å²	133	135.4 Å²	135.4	82%	0.816	78%	0.78	S	S	*	*			trans	-159.7	114	130.4	-8.3	0	0	0	0	112.9
440	S	34.1	Very low	34	Very low	114 Å²	114	138 Å²	138	80%	0.797	78%	0.78	S	S	*	*			trans	34.1	130.6	142	63.6	0	0	0	0	121.9
441	G	30.5	Very low	34	Very low	78 Å²	78	138.1 Å²	138.1	80%	0.804	78%	0.781	S	S	*	*			trans	179.8	70.4	164.2	0	0	0	0	0	119
442	I	34.2	Very low	33.6	Very low	154 Å²	154	137.5 Å²	137.5	79%	0.79	78%	0.778	S	S	*	*			trans	-12.6	154.1	154.2	-69	166.6	0	0	0	119.4
443	T	33.8	Very low	33.5	Very low	112 Å²	112	140 Å²	140	69%	0.687	78%	0.779	S	S	*	*			trans	66.2	155	166.9	43.9	0	0	0	0	117.9
444	E	34.1	Very low	33.3	Very low	160 Å²	160	139 Å²	139	75%	0.748	77%	0.772	S	S	*	*			cis	-168.7	165.7	-31.9	-116.7	168.1	-167.2	0	0	106.4
445	D	31.7	Very low	33	Very low	144 Å²	144	136.7 Å²	136.7	77%	0.77	77%	0.766	S	S	*	*			trans	7.9	139.8	158.4	-45.9	-19.5	0	0	0	119.6
446	N	33.5	Very low	33	Very low	123 Å²	123	136 Å²	136	66%	0.658	76%	0.762	S	S	*	*				175.8	177	51.8	-161.2	9.1	0	0	0	112.5
447	E	33.6	Very low	32.9	Very low	151 Å²	151	138.9 Å²	138.9	71%	0.706	77%	0.765	S	S	*	*			trans	34.7	114.1	153.2	-81.3	159.7	-136.5	0	0	120.6
448	N	31.2	Very low	32.7	Very low	134 Å²	134	134.2 Å²	134.2	72%	0.717	76%	0.758	S	S	*	*				62.7	113.2	67.1	-179.7	43.7	0	0	0	115.4
449	S	34.4	Very low	32.6	Very low	126 Å²	126	135.3 Å²	135.3	88%	0.881	76%	0.759	S	S	*	*			trans	-157	142.9	154.4	-85.3	0	0	0	0	111.7
450	K	31.8	Very low	32.6	Very low	181 Å²	181	135.6 Å²	135.6	79%	0.787	76%	0.755	S	S	*	*			trans	-102.1	150.4	-179.5	-68.9	179.5	172.4	-173.5	0	112.7
451	S	34.5	Very low	32.4	Very low	109 Å²	109	135.3 Å²	135.3	76%	0.762	75%	0.753	S	S	*	*			trans	-165.3	127.9	130.5	53.2	0	0	0	0	106.9
452	D	32.3	Very low	32.4	Very low	136 Å²	136	141.2 Å²	141.2	73%	0.727	76%	0.759	S	S	*	*				54.5	128	66.4	-61.8	-60.8	0	0	0	110.7
453	E	32.3	Very low	32.4	Very low	148 Å²	148	140.8 Å²	140.8	69%	0.692	76%	0.759	S	S	*	*			cis	-156.7	-178.6	38.2	-170.7	161.7	176.9	0	0	114.4
454	K	33.3	Very low	33.2	Very low	180 Å²	180	141 Å²	141	78%	0.783	76%	0.762	S	S	*	*			trans	-44.5	165.5	177.9	-52.5	143.4	-163.9	159.1	0	116.2
455	G	29.3	Very low	33.2	Very low	66 Å²	66	140.7 Å²	140.7	68%	0.68	76%	0.761	S	S	*	*			cis	149.5	-176	-0.2	0	0	0	0	0	113.1
456	N	31.4	Very low	34.1	Very low	156 Å²	156	139.3 Å²	139.3	83%	0.834	76%	0.76	S	S	*	*			trans	65.7	166.2	177.3	-72.2	12.9	0	0	0	117.8
457	Q	32.1	Very low	34.1	Very low	162 Å²	162	137.2 Å²	137.2	76%	0.757	75%	0.749	S	S	*	*				-174.8	160.6	-51.9	-123.7	-176.5	-7	0	0	109.6
458	S	32.8	Very low	34	Very low	108 Å²	108	140 Å²	140	76%	0.755	75%	0.753	S	S	*	*			trans	67.7	156.6	162.8	77.2	0	0	0	0	118.6
459	E	32.9	Very low	34.1	Very low	167 Å²	167	141.9 Å²	141.9	78%	0.78	75%	0.754	S	S	*	*			cis	-163.8	160.5	-25.4	-113.8	176.8	-160.4	0	0	111.6
460	N	30	Very low	33.9	Very low	139 Å²	139	145.1 Å²	145.1	74%	0.743	75%	0.752	S	S	*	*			trans	30.2	126.2	148.7	-55.7	-29.8	0	0	0	124.4
461	S	30.7	Very low	33.8	Very low	107 Å²	107	141.6 Å²	141.6	75%	0.748	75%	0.751	S	S	*	*				177.5	111.8	126.3	60	0	0	0	0	109.4
462	E	31.1	Very low	33.6	Very low	202 Å²	202	139.8 Å²	139.8	94%	0.944	75%	0.75	S	S	*	*				80.1	142.9	80.4	-73.1	-164.5	134.7	0	0	116
463	D	33.8	Very low	33.5	Very low	145 Å²	145	141 Å²	141	78%	0.775	76%	0.756	S	S	*	*			trans	-95.7	164.9	-166	-163.3	33.2	0	0	0	111.8
464	P	50.3	Low	33.5	Very low	117 Å²	117	138.1 Å²	138.1	76%	0.76	76%	0.757	S	S	*	*				-152.9	158.7	83.7	38.9	-18.7	0	0	0	118.7
465	E	34.1	Very low	33.3	Very low	154 Å²	154	134.6 Å²	134.6	72%	0.72	76%	0.755	S	S	*	*			trans	-63.9	171	161.2	-140.4	-156.4	-129.9	0	0	113.1	D467	E465-D467 PolarHBondContact OE2-N 3.34Å; E465-D467 VanDerWaalsContact OE2-N 3.15Å
466	P	50.4	Low	33.4	Very low	115 Å²	115	138.5 Å²	138.5	75%	0.747	76%	0.76	S	S	*	*				-157.6	155.5	75.1	41.4	-19.5	0	0	0	121.5
467	D	33.4	Very low	33.4	Very low	79 Å²	79	138 Å²	138	42%	0.422	76%	0.757	S	S	.	*			trans	55.4	109.8	136	-168.8	36.2	0	0	0	122.1	E465	E465-D467 PolarHBondContact OE2-N 3.34Å; E465-D467 VanDerWaalsContact OE2-N 3.15Å
468	R	32.2	Very low	33.3	Very low	209 Å²	209	135.9 Å²	135.9	79%	0.789	75%	0.751	S	S	*	*				174	110.6	111.9	-93.4	162.1	-159.4	-166.8	6.4	119.9
469	K	32	Very low	33.3	Very low	174 Å²	174	137.2 Å²	137.2	76%	0.757	75%	0.747	S	S	*	*				42.5	125.6	126.7	-68.5	170.7	179.3	149.7	0	123.5
470	K	31.3	Very low	33.2	Very low	193 Å²	193	135.8 Å²	135.8	84%	0.839	74%	0.744	S	S	*	*				103.6	109.2	125.8	-111.7	-166.3	175.9	-169.5	0	122.1
471	S	30.3	Very low	33.3	Very low	107 Å²	107	133.9 Å²	133.9	75%	0.748	74%	0.741	S	S	*	*				54.8	125.7	128.8	64.4	0	0	0	0	123.6
472	G	28.7	Very low	33.3	Very low	72 Å²	72	135.4 Å²	135.4	74%	0.742	74%	0.741	S	S	*	*				125.6	102.7	117.7	0	0	0	0	0	120
473	N	31.8	Very low	33.5	Very low	161 Å²	161	132.6 Å²	132.6	86%	0.861	73%	0.732	S	S	*	*			trans	34.9	114.1	147.8	-62.4	18.4	0	0	0	123
474	A	30.9	Very low	33.4	Very low	87 Å²	87	133.2 Å²	133.2	72%	0.719	74%	0.735	S	S	*	*				69	131.6	118.4	0	0	0	0	0	123.8
475	C	29	Very low	32.6	Very low	107 Å²	107	130.5 Å²	130.5	72%	0.723	73%	0.729	S	S	*	*			trans	37.2	143.6	145	62.8	0	0	0	0	121.9
476	D	32	Very low	32.6	Very low	147 Å²	147	132.2 Å²	132.2	79%	0.786	74%	0.736	S	S	*	*			cis	-164.3	171.4	-1.2	-105.9	-23.5	0	0	0	110.9
477	N	30.8	Very low	31.8	Very low	145 Å²	145	132 Å²	132	78%	0.775	74%	0.737	S	S	*	*			trans	68.4	163.4	167.7	-66.6	-0.1	0	0	0	117
478	D	30.2	Very low	31.8	Very low	118 Å²	118	133.4 Å²	133.4	63%	0.631	75%	0.754	S	S	*	*			cis	-158.7	169.1	21	-148.6	-15.2	0	0	0	114.5
479	M	32.6	Very low	32.2	Very low	136 Å²	136	128 Å²	128	67%	0.67	75%	0.748	S	S	*	*			trans	68.2	152.2	162	-56.4	-74.3	153.7	0	0	117.7
480	N	32.6	Very low	32.2	Very low	137 Å²	137	126.9 Å²	126.9	73%	0.733	75%	0.75	S	S	*	*			cis	-170	172.5	-2.5	-114.5	-19.8	0	0	0	108.1
481	C	30.8	Very low	33.5	Very low	99 Å²	99	122.6 Å²	122.6	67%	0.669	74%	0.742	S	S	*	*			cis	-169	-160.7	-16.8	-161	0	0	0	0	108.4
482	N	31.8	Very low	33.6	Very low	139 Å²	139	124.5 Å²	124.5	74%	0.743	74%	0.744	S	S	*	*			trans	74.8	145.2	165.3	-68.8	45.7	0	0	0	117.9
483	D	33.6	Very low	34.3	Very low	143 Å²	143	125.5 Å²	125.5	77%	0.765	74%	0.74	S	S	*	*			cis	-150.3	176	-1.6	-148.6	-11	0	0	0	112.6
484	D	33.4	Very low	34.8	Very low	158 Å²	158	128 Å²	128	85%	0.845	74%	0.737	S	S	*	*			trans	-84.9	160.2	-168.4	-77	-43.8	0	0	0	118.4
485	G	31.8	Very low	35.1	Very low	60 Å²	60	128.9 Å²	128.9	62%	0.619	73%	0.73	S	S	*	*				101.4	91.1	115.5	0	0	0	0	0	123.5
486	H	34.3	Very low	35.8	Very low	190 Å²	190	128 Å²	128	88%	0.88	73%	0.725	S	S	*	*			trans	59.6	130.1	132.9	-61	-69.8	0	0	0	125.2
487	S	35.3	Very low	36	Very low	110 Å²	110	128.2 Å²	128.2	77%	0.769	73%	0.726	S	S	*	*				129.8	147.9	116.5	-87.3	0	0	0	0	121.4
488	S	32.3	Very low	36.3	Very low	110 Å²	110	128.6 Å²	128.6	77%	0.769	73%	0.728	S	S	*	*			trans	66.5	126.4	173.9	61.9	0	0	0	0	117.9
489	S	39.7	Very low	36.6	Very low	96 Å²	96	127.1 Å²	127.1	67%	0.671	73%	0.727	S	S	*	*			cis	92.8	113.9	26.7	79.5	0	0	0	0	114
490	N	34	Very low	36.6	Very low	149 Å²	149	129.8 Å²	129.8	80%	0.797	74%	0.735	S	S	*	*				163.9	-177.6	86.1	-101.1	-9.6	0	0	0	109.1
491	P	58.4	Low	36.9	Very low	104 Å²	104	130.8 Å²	130.8	68%	0.675	74%	0.735	S	S	*	*			cis	-140.2	169.7	-42.1	40.4	-24.3	0	0	0	114.8
492	D	31.1	Very low	37.3	Very low	146 Å²	146	134.2 Å²	134.2	78%	0.781	74%	0.741	S	S	*	*			trans	168.2	113.1	135.5	-100.2	-38.2	0	0	0	108.5
493	S	44.3	Very low	37.3	Very low	94 Å²	94	133.2 Å²	133.2	66%	0.657	75%	0.745	S	S	*	*				81.4	135.2	70.9	79.5	0	0	0	0	113.5
494	R	42.5	Very low	37.5	Very low	212 Å²	212	133.7 Å²	133.7	80%	0.8	75%	0.748	S	S	*	*			cis	-162.1	171.4	-14.1	-94.3	-176.8	85	92.6	17.1	105.3
495	D	37.4	Very low	37.4	Very low	107 Å²	107	135.3 Å²	135.3	57%	0.572	75%	0.748	S	S	*	*			cis	-171.2	-174.7	4.4	-102.3	5.6	0	0	0	105.3
496	S	42.9	Very low	37.3	Very low	87 Å²	87	140 Å²	140	61%	0.608	75%	0.753	S	S	*	*			cis	-179.2	156.1	-18.9	53	0	0	0	0	107.5
497	D	35.2	Very low	37.3	Very low	153 Å²	153	137.9 Å²	137.9	82%	0.818	75%	0.749	S	S	*	*			cis	-169.1	138.6	-20.2	-87	-30.9	0	0	0	111
498	D	38.9	Very low	37.8	Very low	153 Å²	153	137.7 Å²	137.7	82%	0.818	75%	0.745	S	S	*	*			trans	73.5	156.4	141.9	-138.4	3.1	0	0	0	127.3
499	S	35.7	Very low	37.7	Very low	87 Å²	87	142 Å²	142	61%	0.608	75%	0.75	S	S	*	*			trans	97.3	110.9	146.2	-72.7	0	0	0	0	127.7
500	F	33.2	Very low	37.2	Very low	191 Å²	191	142.2 Å²	142.2	84%	0.838	76%	0.757	S	S	*	*			trans	72	-177.7	131.9	-75.6	-83.2	0	0	0	125.7
501	E	37.6	Very low	36.9	Very low	158 Å²	158	138.6 Å²	138.6	74%	0.738	76%	0.755	S	S	*	*			trans	-111.6	162.3	-140.1	-63.9	175.4	134.6	0	0	119.7
502	H	39	Very low	35.6	Very low	171 Å²	171	142.8 Å²	142.8	79%	0.792	77%	0.766	S	S	*	*			trans	41.2	125.3	147.3	-83.1	-69.9	0	0	0	123.9
503	S	32	Very low	35.4	Very low	119 Å²	119	143.6 Å²	143.6	83%	0.832	77%	0.77	S	S	*	*				171.5	174.8	124.6	43.3	0	0	0	0	113.9
504	D	38.9	Very low	34.6	Very low	152 Å²	152	142 Å²	142	81%	0.813	77%	0.769	S	S	*	*			trans	-109.5	175.1	-165.2	-56.3	-82.4	0	0	0	117
505	F	30.5	Very low	34	Very low	192 Å²	192	142.6 Å²	142.6	84%	0.842	78%	0.778	S	S	*	*			trans	90.8	170.7	154.7	-95.7	-88.4	0	0	0	121.9
506	E	30.9	Very low	33.6	Very low	158 Å²	158	141.2 Å²	141.2	74%	0.738	79%	0.789	S	S	*	*			trans	-86.8	143.4	-140.8	-68	169.6	104.3	0	0	119.8
507	N	32.8	Very low	33.6	Very low	147 Å²	147	141.9 Å²	141.9	79%	0.786	80%	0.799	S	S	*	*				29.3	133.6	123.2	-138.6	10.3	0	0	0	119.3
508	P	45.5	Very low	33.1	Very low	106 Å²	106	143 Å²	143	69%	0.688	81%	0.805	S	S	*	*				-155.3	160.5	71	40.9	-21.3	0	0	0	119.1
509	K	30.6	Very low	32.7	Very low	199 Å²	199	138.7 Å²	138.7	87%	0.865	80%	0.796	S	S	*	*			trans	46.6	145.6	144.9	-69.3	-179.2	178.7	179.1	0	121.1
510	A	29.7	Very low	33.5	Very low	101 Å²	101	140.5 Å²	140.5	84%	0.835	81%	0.806	S	S	*	*			cis	-172.7	159.7	-11.1	0	0	0	0	0	109
511	G	27.4	Very low	33.1	Very low	73 Å²	73	139.1 Å²	139.1	75%	0.753	80%	0.804	S	S	*	*			trans	160.6	140.1	171.6	0	0	0	0	0	112.5
512	E	31.2	Very low	32.5	Very low	192 Å²	192	139.6 Å²	139.6	90%	0.897	81%	0.806	S	S	*	*			trans	-54.8	146.1	179.3	-66.8	143.5	135.1	0	0	111.7
513	D	27.6	Very low	31.9	Very low	164 Å²	164	139.2 Å²	139.2	88%	0.877	81%	0.808	S	S	*	*				-162.4	167.6	50.3	-136.6	-28.4	0	0	0	113.5
514	G	27.8	Very low	31.5	Very low	61 Å²	61	141.3 Å²	141.3	63%	0.629	80%	0.802	S	S	*	*			trans	95.6	102.2	156.3	0	0	0	0	0	121.2
515	F	29.4	Very low	31.1	Very low	224 Å²	224	140.3 Å²	140.3	98%	0.982	80%	0.801	S	S	*	*			trans	33.9	106.6	149.5	-75.8	-92.8	0	0	0	121.5
516	G	29	Very low	30.6	Very low	78 Å²	78	138.6 Å²	138.6	80%	0.804	80%	0.796	S	S	*	*			trans	-171.8	115.4	161.1	0	0	0	0	0	116.5
517	A	41.8	Very low	30.5	Very low	101 Å²	101	141.9 Å²	141.9	84%	0.835	80%	0.801	S	S	*	*			trans	32.1	141.1	154.7	0	0	0	0	0	123.5
518	L	25.1	Very low	30	Very low	177 Å²	177	145.6 Å²	145.6	93%	0.927	81%	0.806	S	S	*	*			trans	-148.7	147.2	148.1	-85.2	-171.1	0	0	0	113.4
519	G	31	Very low	29	Very low	61 Å²	61	145.9 Å²	145.9	63%	0.629	81%	0.806	S	S	*	*			trans	-138.9	-151.5	145.5	0	0	0	0	0	106.8
520	P	52.9	Low	28.7	Very low	126 Å²	126	145.2 Å²	145.2	82%	0.818	81%	0.806	S	S	*	*			cis	-128.8	164.3	-34.7	39.2	-27.2	0	0	0	111.5
521	M	23.5	Very low	28.5	Very low	162 Å²	162	145.3 Å²	145.3	80%	0.798	80%	0.8	S	S	*	*			trans	-178.8	152.9	141.8	-107.6	-165.5	176.9	0	0	115.9
522	Q	25.9	Very low	28.5	Very low	167 Å²	167	150.4 Å²	150.4	78%	0.78	80%	0.804	S	S	*	*			trans	19.6	132.5	147.1	-59.8	179.9	0.9	0	0	121.1
523	I	27	Very low	28.4	Very low	164 Å²	164	146.6 Å²	146.6	84%	0.841	80%	0.799	S	S	*	*			trans	-117.1	120.6	160.7	-64.6	177.9	0	0	0	110
524	K	22.6	Very low	28.4	Very low	163 Å²	163	145.6 Å²	145.6	71%	0.709	79%	0.793	S	S	*	*			trans	-101.3	137.1	163.3	-175.6	-160.5	177.4	-156	0	108.1	E526	K524-E526 WeakPolarHBondContact CE-OE2 3.3Å; K524-E526 IonicContact NZ-OE2 3.87Å; K524-E526 PolarHBondContact NZ-OE2 2.83Å
525	V	30.4	Very low	28.3	Very low	130 Å²	130	148.3 Å²	148.3	79%	0.788	79%	0.793	S	S	*	*			trans	-90.2	122.6	178.1	177.5	0	0	0	0	111.1
526	E	21.6	Very low	28.1	Very low	157 Å²	157	147.8 Å²	147.8	73%	0.734	79%	0.785	S	S	*	*			trans	-159.1	163.5	162.5	-116.3	160.7	178.2	0	0	110.6	K524	K524-E526 WeakPolarHBondContact CE-OE2 3.3Å; K524-E526 IonicContact NZ-OE2 3.87Å; K524-E526 PolarHBondContact NZ-OE2 2.83Å
527	R	26.9	Very low	27.9	Very low	227 Å²	227	149.9 Å²	149.9	86%	0.857	78%	0.776	S	S	*	*			trans	-120.5	150.4	-171.1	-30.1	172.4	-171.8	175.9	0.7	112.7
528	Y	22.8	Very low	27.2	Very low	224 Å²	224	152.7 Å²	152.7	88%	0.878	77%	0.772	S	S	*	*			trans	-158.5	139.5	144	-97.5	-88.9	0	0	0	106
529	V	25.3	Very low	27.3	Very low	113 Å²	113	149.5 Å²	149.5	69%	0.685	76%	0.756	S	S	*	*			cis	100.1	108.2	24.7	171.2	0	0	0	0	114.2
530	E	23.5	Very low	27.2	Very low	185 Å²	185	151.6 Å²	151.6	86%	0.864	76%	0.76	S	S	*	*			trans	-169.4	137.8	150.8	-99.8	167.8	-179.3	0	0	105.7
531	S	24.9	Very low	25.9	Very low	102 Å²	102	153.7 Å²	153.7	71%	0.713	76%	0.759	S	S	*	*			cis	84.5	128.7	34.1	-59.5	0	0	0	0	113.3
532	E	28	Very low	26.2	Very low	180 Å²	180	150.8 Å²	150.8	84%	0.841	76%	0.755	S	S	*	*			cis	-162.4	-178.3	-4.5	-138.7	-168.3	176.6	0	0	112.2
533	S	29.1	Very low	26.3	Very low	112 Å²	112	151 Å²	151	78%	0.783	76%	0.761	S	S	*	*			trans	88	143.9	157.2	87.2	0	0	0	0	118.9
534	D	28	Very low	26.3	Very low	143 Å²	143	149.8 Å²	149.8	77%	0.765	76%	0.761	S	S	*	*			cis	-154	171	-1.4	-158.5	0.7	0	0	0	113.4
535	L	25.9	Very low	26.7	Very low	119 Å²	119	147.8 Å²	147.8	62%	0.623	77%	0.767	S	S	*	*			trans	99.9	85.4	155.9	-56.9	-177.2	0	0	0	122.5
536	R	24.5	Very low	26.5	Very low	213 Å²	213	149.4 Å²	149.4	80%	0.804	77%	0.771	S	S	*	*				68.4	143.3	126.7	-58.5	-169.4	175.8	174.8	0.1	121.2
537	L	25	Very low	27.1	Very low	121 Å²	121	147.2 Å²	147.2	63%	0.634	77%	0.773	S	S	*	*			cis	-162.3	124.9	-10.6	-106.2	172.3	0	0	0	111.1
538	Q	27.2	Very low	27.3	Very low	160 Å²	160	140.8 Å²	140.8	75%	0.748	77%	0.769	S	S	*	*				44	151.3	128.3	-67.1	-176.8	-4.7	0	0	122.7
539	N	27.1	Very low	27.9	Very low	110 Å²	110	138.5 Å²	138.5	59%	0.588	76%	0.764	S	S	*	*			cis	-150.8	146.7	6.7	-117.7	9.6	0	0	0	108.8
540	C	28.4	Very low	28.2	Very low	105 Å²	105	138.7 Å²	138.7	71%	0.709	76%	0.761	S	S	*	*				62.5	149.2	71.1	-50	0	0	0	0	114
541	E	26.2	Very low	28.6	Very low	170 Å²	170	135.7 Å²	135.7	79%	0.794	76%	0.76	S	S	*	*			cis	-137.2	150.4	21.4	-59.9	167.1	131.2	0	0	108.9
542	S	30.1	Very low	28.9	Very low	102 Å²	102	139 Å²	139	71%	0.713	77%	0.77	S	S	*	*			cis	73.5	135.8	33.5	84.3	0	0	0	0	116.3
543	L	27	Very low	29.2	Very low	172 Å²	172	136 Å²	136	90%	0.901	77%	0.769	S	S	*	*			trans	-171.9	132.9	142.6	-106.7	-178.3	0	0	0	111.9
544	T	28.9	Very low	29.4	Very low	137 Å²	137	135.3 Å²	135.3	84%	0.84	77%	0.77	S	S	*	*			trans	-123.7	162.9	172.3	52.6	0	0	0	0	109.8
545	S	30	Very low	29.5	Very low	121 Å²	121	132.2 Å²	132.2	85%	0.846	77%	0.772	S	S	*	*			trans	-170	134.1	154	61.1	0	0	0	0	110.9
546	D	27	Very low	29.7	Very low	164 Å²	164	136 Å²	136	88%	0.877	79%	0.786	S	S	*	*			trans	-135.4	149.3	171.3	-173.7	22.3	0	0	0	109.9
547	S	32.7	Very low	30	Very low	111 Å²	111	130.7 Å²	130.7	78%	0.776	79%	0.788	S	S	*	*			trans	175.1	139.4	169.3	58.7	0	0	0	0	111.3
548	A	32.1	Very low	30.1	Very low	93 Å²	93	128.8 Å²	128.8	77%	0.769	80%	0.798	S	S	*	*			trans	-105.8	-161.3	-179	0	0	0	0	0	113.8
549	K	34.4	Very low	30.3	Very low	175 Å²	175	125.7 Å²	125.7	76%	0.761	80%	0.8	S	S	*	*			trans	80.1	145.5	175.4	-62.7	-168.1	141	-72.4	0	116.7
550	D	31.1	Very low	30.4	Very low	117 Å²	117	129.3 Å²	129.3	63%	0.626	81%	0.813	S	S	*	*			cis	-152.9	171.7	-13	-88.2	-28.7	0	0	0	107.5
551	S	33.6	Very low	30.5	Very low	122 Å²	122	128.4 Å²	128.4	85%	0.853	81%	0.813	S	S	*	*			trans	-166	127.9	163.3	-81.3	0	0	0	0	114
552	D	31.2	Very low	30.7	Very low	173 Å²	173	125.5 Å²	125.5	93%	0.925	81%	0.812	S	S	*	*			trans	-138.3	162	176.2	-90.2	-46.2	0	0	0	111.3
553	S	34.4	Very low	30.8	Very low	117 Å²	117	125.4 Å²	125.4	82%	0.818	81%	0.811	S	S	*	*			trans	-163.4	148.8	168.8	63.7	0	0	0	0	109.8
554	A	33.4	Very low	31	Very low	96 Å²	96	127.1 Å²	127.1	79%	0.793	81%	0.811	S	S	*	*			cis	-137.6	168.4	4.1	0	0	0	0	0	110
555	G	29.1	Very low	31.1	Very low	79 Å²	79	127.6 Å²	127.6	81%	0.814	80%	0.804	S	S	*	*				78.2	108.6	85.6	0	0	0	0	0	111
556	E	30.3	Very low	31.3	Very low	197 Å²	197	129.2 Å²	129.2	92%	0.921	80%	0.798	S	S	*	*				-158.1	178.2	69.5	-142.5	-175.6	-161.5	0	0	114.9
557	A	30.5	Very low	31.6	Very low	103 Å²	103	127.9 Å²	127.9	85%	0.851	78%	0.784	S	S	*	*			trans	68.6	140.2	166.8	0	0	0	0	0	120.2
558	G	28.3	Very low	31.7	Very low	81 Å²	81	132.1 Å²	132.1	84%	0.835	78%	0.783	S	S	*	*			trans	138.6	97.8	165.7	0	0	0	0	0	117.5
559	A	30.4	Very low	32	Very low	95 Å²	95	134 Å²	134	79%	0.785	77%	0.774	S	S	*	*			trans	-50.8	157	-175.1	0	0	0	0	0	121.5
560	Q	29.8	Very low	32	Very low	185 Å²	185	134.6 Å²	134.6	86%	0.864	78%	0.777	S	S	*	*			trans	69.1	102.7	142.4	-75.6	-178.8	0.8	0	0	123.9
561	A	30.3	Very low	32.1	Very low	87 Å²	87	140.5 Å²	140.5	72%	0.719	79%	0.79	S	S	*	*				66.8	115	112	0	0	0	0	0	123.9
562	S	30.8	Very low	32.2	Very low	108 Å²	108	145.8 Å²	145.8	76%	0.755	79%	0.791	S	S	*	*				110.4	100.9	121.4	77.6	0	0	0	0	122.4
563	S	31.8	Very low	32.2	Very low	101 Å²	101	147 Å²	147	71%	0.706	79%	0.789	S	S	*	*			trans	71.9	128.4	137.8	79.5	0	0	0	0	121.7
564	K	30.7	Very low	32.1	Very low	207 Å²	207	152.1 Å²	152.1	90%	0.9	79%	0.79	S	S	*	*				-166	179.1	104.2	-101.7	158	-171.8	167.4	0	112.8
565	H	31.7	Very low	32.1	Very low	148 Å²	148	155.5 Å²	155.5	69%	0.685	79%	0.79	S	S	*	*			trans	-124.9	167.5	-150.4	-165.2	76.1	0	0	0	111.1
566	Q	34.1	Very low	32.2	Very low	155 Å²	155	162.2 Å²	162.2	72%	0.724	80%	0.796	S	S	*	*			trans	83.2	156.4	164.7	-51.1	-147.3	50.9	0	0	118.8
567	K	33.9	Very low	32.1	Very low	136 Å²	136	156.4 Å²	156.4	59%	0.591	79%	0.79	S	S	*	*			cis	-179.7	145.1	-39.5	-109.3	158.9	-178.8	155.1	0	110.6
568	R	34.4	Very low	32	Very low	199 Å²	199	155.3 Å²	155.3	75%	0.751	79%	0.788	S	S	*	*			trans	68.3	162.7	148.1	-66.9	173.3	159.7	-165.9	0.8	117.7
569	K	37	Very low	32	Very low	134 Å²	134	157.4 Å²	157.4	58%	0.583	79%	0.79	S	S	*	*			cis	-169.9	144.3	-15.2	-111.9	174.1	178.2	177.4	0	112.8
570	K	35.1	Very low	32	Very low	187 Å²	187	157 Å²	157	81%	0.813	79%	0.787	S	S	*	*			trans	63.5	170.7	146.7	-71.3	-174.8	176.4	-173.9	0	115.8
571	R	32.3	Very low	32	Very low	240 Å²	240	152.5 Å²	152.5	91%	0.906	78%	0.776	S	S	*	*			cis	-127.3	-149	18.1	-153.4	151.8	73.8	-177.2	5.6	114.3
572	R	37.6	Very low	32	Very low	233 Å²	233	157.9 Å²	157.9	88%	0.879	78%	0.778	S	S	*	*			trans	-169.2	129.2	-143.5	-177	-172.3	-173	-133.2	9.3	116.9
573	K	29.8	Very low	31.8	Very low	200 Å²	200	162.5 Å²	162.5	87%	0.87	78%	0.778	S	S	*	*			trans	-159.5	131.7	161.2	-128.6	169.8	177	-175.8	0	109.2
574	R	33	Very low	31.7	Very low	223 Å²	223	168.2 Å²	168.2	84%	0.842	78%	0.784	S	S	*	*				75.8	138.5	54.9	-112.7	-159.3	167.5	-169.2	-1.1	114
575	Q	32.3	Very low	31.6	Very low	168 Å²	168	165.7 Å²	165.7	79%	0.785	78%	0.78	S	S	*	*			cis	157.1	117.5	-34.4	172.6	-165.4	20.9	0	0	110.7
576	K	31.2	Very low	31.5	Very low	219 Å²	219	163.9 Å²	163.9	95%	0.952	78%	0.784	S	S	*	*			trans	178.7	151.9	157.2	-115	-174.8	172.4	-171.5	0	108.7
577	G	27.9	Very low	31.2	Very low	76 Å²	76	161.6 Å²	161.6	78%	0.784	79%	0.785	S	S	*	*			cis	164.1	142.3	-12.9	0	0	0	0	0	113.3
578	G	28.9	Very low	30.9	Very low	80 Å²	80	159.4 Å²	159.4	83%	0.825	79%	0.792	S	S	*	*			trans	100.2	130.7	179.5	0	0	0	0	0	113.2
579	S	29.2	Very low	30.7	Very low	125 Å²	125	155.3 Å²	155.3	87%	0.874	79%	0.794	S	S	*	*			cis	89.3	127.4	19.6	-168.8	0	0	0	0	114.7
580	A	29.4	Very low	30.8	Very low	87 Å²	87	154.4 Å²	154.4	72%	0.719	81%	0.805	S	S	*	*			cis	-168.9	-167.8	-15.7	0	0	0	0	0	107.8
581	S	29.4	Very low	31.3	Very low	90 Å²	90	151.8 Å²	151.8	63%	0.629	81%	0.807	S	S	*	*			cis	-169.3	151.9	3.7	-142.9	0	0	0	0	111.6
582	R	30.3	Very low	31.2	Very low	200 Å²	200	144.2 Å²	144.2	76%	0.755	80%	0.804	S	S	*	*			trans	71.2	154.4	155	-63.8	165.1	-168.1	-165.4	1.3	117
583	R	28.5	Very low	30.7	Very low	204 Å²	204	136.4 Å²	136.4	77%	0.77	80%	0.796	S	S	*	*			cis	-158.9	153.6	0.9	-124	165.7	-169.6	177.3	-0.4	111.7
584	R	28.7	Very low	30.8	Very low	221 Å²	221	135 Å²	135	83%	0.834	80%	0.797	S	S	*	*			trans	19	128.3	149.1	-69.3	-169	170.7	-164.9	-4.6	120.3
585	L	28.6	Very low	30.6	Very low	154 Å²	154	131.8 Å²	131.8	81%	0.806	80%	0.797	S	S	*	*				89.4	142.8	54.9	-81.5	176.3	0	0	0	115.2
586	S	28.9	Very low	30.5	Very low	111 Å²	111	128.4 Å²	128.4	78%	0.776	80%	0.797	S	S	*	*			trans	65	151.5	165.9	42.7	0	0	0	0	118.5
587	S	28.5	Very low	30.4	Very low	106 Å²	106	121.2 Å²	121.2	74%	0.741	79%	0.785	S	S	*	*			cis	-176.7	145.8	-20.9	51.5	0	0	0	0	112.6
588	A	27.8	Very low	30.5	Very low	90 Å²	90	125.6 Å²	125.6	74%	0.744	79%	0.789	S	S	*	*			trans	67.2	149.5	148	0	0	0	0	0	122.9
589	S	30.3	Very low	30.6	Very low	114 Å²	114	128.3 Å²	128.3	80%	0.797	79%	0.79	S	S	*	*			trans	57.8	115.8	150.5	56.3	0	0	0	0	121.8
590	S	38.9	Very low	30.4	Very low	115 Å²	115	130.6 Å²	130.6	80%	0.804	79%	0.787	S	S	*	*			trans	-76.7	159.8	150.7	-40.1	0	0	0	0	111.5
591	P	45.9	Very low	31.1	Very low	131 Å²	131	131.3 Å²	131.3	85%	0.851	78%	0.784	S	S	*	*				-128.2	175.3	121.1	37.7	-31.1	0	0	0	111.5
592	G	29.9	Very low	32	Very low	82 Å²	82	131.7 Å²	131.7	85%	0.845	78%	0.784	S	S	*	*			trans	-129.7	-178.1	-179.8	0	0	0	0	0	113.8
593	G	28	Very low	31.8	Very low	69 Å²	69	132.6 Å²	132.6	71%	0.711	79%	0.788	S	S	*	*			trans	166.1	137	170.4	0	0	0	0	0	113.2
594	L	31.6	Very low	31.6	Very low	170 Å²	170	129 Å²	129	89%	0.89	78%	0.783	S	S	*	*			trans	51.1	150.2	138.9	-46.7	177.7	0	0	0	119.2
595	D	28.4	Very low	31.4	Very low	156 Å²	156	125.9 Å²	125.9	83%	0.834	78%	0.782	S	S	*	*			cis	-149.7	-173.7	20.3	-156.7	-4.4	0	0	0	112.4
596	A	30.9	Very low	31.2	Very low	97 Å²	97	123.4 Å²	123.4	80%	0.802	78%	0.778	S	S	*	*			trans	-99.4	174.7	-165.8	0	0	0	0	0	117.1
597	G	28.6	Very low	31.3	Very low	67 Å²	67	122.9 Å²	122.9	69%	0.691	77%	0.774	S	S	*	*			trans	169.8	110.2	162.2	0	0	0	0	0	120.1
598	L	30.2	Very low	31.7	Very low	168 Å²	168	123.4 Å²	123.4	88%	0.88	78%	0.775	S	S	*	*			trans	71.5	115	144.5	-79.8	75.9	0	0	0	124.5
599	V	29.7	Very low	31.7	Very low	138 Å²	138	126 Å²	126	84%	0.836	78%	0.776	S	S	*	*				83.8	133.3	118.7	175.4	0	0	0	0	123
600	E	25	Very low	31.7	Very low	172 Å²	172	125.7 Å²	125.7	80%	0.804	77%	0.774	S	S	*	*			trans	-74.3	-175.8	173.9	-89.4	-167.5	113.3	0	0	116.4
601	P	44.1	Very low	31.1	Very low	102 Å²	102	124.6 Å²	124.6	66%	0.662	77%	0.772	S	S	*	*			cis	-137.5	-131.4	-39.9	41.1	-21.1	0	0	0	109.4
602	P	48.8	Very low	30.2	Very low	98 Å²	98	123.4 Å²	123.4	64%	0.636	77%	0.767	S	S	*	*				-123.1	-171.3	-50.4	38.2	-22.1	0	0	0	113.8
603	R	26.3	Very low	29.9	Very low	219 Å²	219	125.4 Å²	125.4	83%	0.826	76%	0.762	S	S	*	*			trans	75.1	162.4	157.3	-65.8	177.6	-177	-121.6	-3.5	118.4
604	L	24.8	Very low	29.8	Very low	129 Å²	129	128.9 Å²	128.9	68%	0.675	76%	0.764	S	S	*	*			cis	-170	157.4	-30.5	-104.9	174.5	0	0	0	108.3
605	L	24.3	Very low	29.4	Very low	155 Å²	155	130.7 Å²	130.7	81%	0.812	77%	0.765	S	S	*	*			trans	64.3	163.2	161.6	-66.7	162.1	0	0	0	115.7
606	S	23.8	Very low	29.5	Very low	102 Å²	102	130.2 Å²	130.2	71%	0.713	76%	0.761	S	S	*	*			cis	-159.9	162.9	-15.4	39.5	0	0	0	0	110.4
607	S	31.8	Very low	29.2	Very low	101 Å²	101	133.9 Å²	133.9	71%	0.706	76%	0.759	S	S	*	*			trans	-79.5	155.9	173.2	170.7	0	0	0	0	113.5	N609	S607-N609 PolarHBondContact OG-N 2.91Å
608	P	36.6	Very low	29.2	Very low	117 Å²	117	135.8 Å²	135.8	76%	0.76	76%	0.757	S	S	*	*				-113.5	143.3	126.9	34.8	-31.4	0	0	0	110.2
609	N	27.7	Very low	29	Very low	144 Å²	144	134.9 Å²	134.9	77%	0.77	75%	0.748	S	S	*	*			cis	95.8	141	14.8	-153.8	18.8	0	0	0	115.4	S607	S607-N609 PolarHBondContact OG-N 2.91Å
610	S	29.6	Very low	28.8	Very low	107 Å²	107	136 Å²	136	75%	0.748	75%	0.747	S	S	*	*			trans	72.6	125.5	-175.3	-59.7	0	0	0	0	116.5
611	A	26.5	Very low	28.9	Very low	92 Å²	92	133.4 Å²	133.4	76%	0.76	75%	0.749	S	S	*	*			cis	99.3	143.7	38.9	0	0	0	0	0	112.3
612	S	27	Very low	28.2	Very low	107 Å²	107	137.3 Å²	137.3	75%	0.748	76%	0.758	S	S	*	*			cis	-173.6	165.8	0	39.1	0	0	0	0	114.5
613	V	24.2	Very low	27.3	Very low	123 Å²	123	138.5 Å²	138.5	75%	0.745	77%	0.766	S	S	*	*			trans	83.8	112.6	139.7	156	0	0	0	0	123.2
614	L	25.3	Very low	27.4	Very low	143 Å²	143	135.9 Å²	135.9	75%	0.749	77%	0.767	S	S	*	*			trans	46.1	132.7	136.3	-52.4	174.3	0	0	0	124
615	K	24.7	Very low	27.5	Very low	208 Å²	208	135.5 Å²	135.5	90%	0.904	77%	0.765	S	S	*	*				-162.4	166.9	102.3	-118	176.3	-179.3	176.5	0	114.7
616	I	30.4	Very low	27.6	Very low	145 Å²	145	137.8 Å²	137.8	74%	0.744	77%	0.769	S	S	*	*			trans	-126.8	144.7	-174.2	-59.2	163.8	0	0	0	109.5
617	K	23.8	Very low	27.8	Very low	175 Å²	175	139 Å²	139	76%	0.761	77%	0.768	S	S	*	*			trans	-150.6	151.2	142.2	-167.5	171	-176.1	-134.7	0	111.2	E619	K617-E619 IonicContact NZ-OE2 3.18Å; K617-E619 PolarHBondContact NZ-OE2 2.99Å
618	T	28.4	Very low	27.7	Very low	106 Å²	106	141.1 Å²	141.1	65%	0.65	77%	0.771	S	S	*	*			trans	-123.9	153.9	-177.9	49	0	0	0	0	112.1
619	E	25.5	Very low	27.3	Very low	149 Å²	149	143.1 Å²	143.1	70%	0.696	78%	0.775	S	S	*	*			trans	174.8	116.9	145.1	-95.8	157	147.5	0	0	106.8	K617	K617-E619 IonicContact NZ-OE2 3.18Å; K617-E619 PolarHBondContact NZ-OE2 2.99Å
620	I	27.3	Very low	27.4	Very low	161 Å²	161	141.8 Å²	141.8	83%	0.826	78%	0.777	S	S	*	*				85.3	115.9	69.8	-70.8	171.9	0	0	0	113.7
621	S	25.7	Very low	27.4	Very low	119 Å²	119	141.5 Å²	141.5	83%	0.832	78%	0.775	S	S	*	*			trans	-160.7	157.7	155.9	58.3	0	0	0	0	109.2
622	E	29	Very low	27.6	Very low	183 Å²	183	143.3 Å²	143.3	86%	0.855	77%	0.771	S	S	*	*			trans	-89.6	162.1	-155.4	-67.5	178.4	136.3	0	0	117.1
623	P	31.9	Very low	27.8	Very low	124 Å²	124	149.4 Å²	149.4	81%	0.805	78%	0.778	S	S	*	*			trans	-84.7	164.9	169.9	36.6	-36.2	0	0	0	112.9
624	I	28.2	Very low	28	Very low	164 Å²	164	151 Å²	151	84%	0.841	78%	0.782	S	S	*	*			trans	-125.9	133.3	172.5	-65	177.8	0	0	0	109.1
625	N	26.2	Very low	28.3	Very low	121 Å²	121	154.7 Å²	154.7	65%	0.647	79%	0.787	S	S	*	*			trans	-70.1	156.9	175.1	-91.9	19.5	0	0	0	112.4	D627	N625-D627 PolarHBondContact ND2-OD1 3.28Å
626	F	26.7	Very low	28.8	Very low	203 Å²	203	149.6 Å²	149.6	89%	0.89	78%	0.775	S	S	*	*				-144	150.5	125.8	-110	-74.3	0	0	0	109.4
627	D	28.2	Very low	29.1	Very low	127 Å²	127	148.5 Å²	148.5	68%	0.679	78%	0.778	S	S	*	*			trans	-92.2	171.8	-150.1	-60.5	-76.9	0	0	0	115.9	N625	N625-D627 PolarHBondContact ND2-OD1 3.28Å
628	N	28.1	Very low	29.3	Very low	146 Å²	146	148.3 Å²	148.3	78%	0.781	79%	0.785	S	S	*	*			trans	-123	116.4	-171.2	158.1	98.6	0	0	0	109
629	D	28.2	Very low	29.5	Very low	159 Å²	159	154 Å²	154	85%	0.85	80%	0.795	S	S	*	*			trans	-144.1	96.8	172.1	-118.3	-31	0	0	0	112.7
630	S	30.6	Very low	29.9	Very low	115 Å²	115	156.2 Å²	156.2	80%	0.804	81%	0.805	S	S	*	*			trans	178	69.8	154.2	28.4	0	0	0	0	110.2
631	S	29.7	Very low	30	Very low	101 Å²	101	155.7 Å²	155.7	71%	0.706	80%	0.803	S	S	*	*			trans	-69.9	158.7	155.7	61.1	0	0	0	0	108.7
632	I	30.6	Very low	30.2	Very low	131 Å²	131	154.8 Å²	154.8	67%	0.672	80%	0.796	S	S	*	*			cis	-148.8	138.7	40.9	-66.6	166.6	0	0	0	105.6
633	W	30.5	Very low	30.2	Very low	235 Å²	235	157.3 Å²	157.3	89%	0.89	80%	0.798	S	S	*	*				-142.5	143	61.3	-71.1	80.2	0	0	0	113
634	N	30.2	Very low	30	Very low	157 Å²	157	157.8 Å²	157.8	84%	0.84	79%	0.793	S	S	*	*			trans	-152.7	139.8	174.8	-104.8	-47.9	0	0	0	111.2
635	Y	29.6	Very low	30	Very low	219 Å²	219	158 Å²	158	86%	0.859	79%	0.791	S	S	*	*			trans	-163.1	154.1	168.3	-107	-68.2	0	0	0	109.4
636	P	35.8	Very low	30.6	Very low	101 Å²	101	157.7 Å²	157.7	66%	0.656	80%	0.799	S	S	*	*				-106.4	164	-84.1	38	-31.8	0	0	0	112.9
637	P	36	Very low	31.5	Very low	122 Å²	122	153.2 Å²	153.2	79%	0.792	79%	0.79	S	S	*	*			trans	-68.6	143.7	176.1	28.8	-35.2	0	0	0	112.7	R639	P637-R639 PolarHBondContact O-N 3.09Å
638	N	30	Very low	31.7	Very low	171 Å²	171	157.5 Å²	157.5	91%	0.914	80%	0.798	S	S	*	*			trans	-59	129.8	177.3	-79.8	-38.8	0	0	0	111.9
639	R	32.3	Very low	31.8	Very low	225 Å²	225	154.7 Å²	154.7	85%	0.849	79%	0.789	S	S	*	*			trans	-106.2	109.9	176.3	-157.1	179.1	-160.9	176.1	6.6	109.3	P637 I641	P637-R639 PolarHBondContact O-N 3.09Å; R639-I641 PolarHBondContact O-N 3Å
640	E	32.9	Very low	31.8	Very low	197 Å²	197	154.7 Å²	154.7	92%	0.921	79%	0.787	S	S	*	*			trans	-62.6	122.4	174	-65.2	-171.8	145.3	0	0	110.3
641	I	29.7	Very low	31.8	Very low	150 Å²	150	155 Å²	155	77%	0.769	78%	0.784	S	S	*	*			trans	-132.8	122.2	168.7	-62.4	-177.6	0	0	0	108	R639	R639-I641 PolarHBondContact O-N 3Å
642	S	30.3	Very low	31.7	Very low	100 Å²	100	159 Å²	159	70%	0.699	79%	0.788	S	S	*	*			trans	-90.9	129.1	175.2	51	0	0	0	0	111.2
643	R	29.1	Very low	31.9	Very low	235 Å²	235	158.6 Å²	158.6	89%	0.887	79%	0.794	S	S	*	*			trans	164.3	122.3	151.2	-90.3	151.7	-168.4	-153	1.2	107.9
644	N	28	Very low	32.2	Very low	134 Å²	134	153.3 Å²	153.3	72%	0.717	79%	0.79	S	S	*	*				79.8	135.5	77.4	-106.5	49.6	0	0	0	114.2
645	E	27	Very low	32.2	Very low	169 Å²	169	151.4 Å²	151.4	79%	0.79	79%	0.789	S	S	*	*			trans	73.2	110.6	156.9	-72.5	154.4	-120.3	0	0	120.3
646	S	40	Very low	32.2	Very low	115 Å²	115	145.6 Å²	145.6	80%	0.804	78%	0.781	S	S	*	*			trans	-96.7	136	160	56.5	0	0	0	0	111.7
647	P	45.1	Very low	31.8	Very low	109 Å²	109	149.7 Å²	149.7	71%	0.708	79%	0.791	S	S	*	*			trans	-118.4	162.4	156.8	15.3	5.8	0	0	0	111.1
648	Y	31.3	Very low	31.4	Very low	217 Å²	217	151 Å²	151	85%	0.851	79%	0.786	S	S	*	*			cis	-174.4	165.7	-11.3	-109	-29	0	0	0	107.1
649	S	31	Very low	31.1	Very low	86 Å²	86	150.4 Å²	150.4	60%	0.601	78%	0.776	S	S	*	*			cis	-167.3	165.3	-16.8	-144	0	0	0	0	106.7
650	M	29.2	Very low	31.4	Very low	160 Å²	160	145.6 Å²	145.6	79%	0.788	77%	0.773	S	S	*	*			cis	-129	-107.8	0.1	-167.3	-163.6	-58.6	0	0	110.2
651	T	29.3	Very low	31.2	Very low	121 Å²	121	140.6 Å²	140.6	74%	0.742	76%	0.76	S	S	*	*			cis	-139.8	-169.4	-4	50.7	0	0	0	0	109.4
652	K	28.2	Very low	31.9	Very low	186 Å²	186	138.7 Å²	138.7	81%	0.809	76%	0.758	S	S	*	*			trans	-141.7	167.3	172.5	-60.4	-176.1	174	178.6	0	110.1
653	P	34.1	Very low	31.9	Very low	122 Å²	122	143.5 Å²	143.5	79%	0.792	77%	0.769	S	S	*	*				-139.7	-145.1	84.9	40.8	-21	0	0	0	112.8
654	P	37.1	Very low	32	Very low	123 Å²	123	135.9 Å²	135.9	80%	0.799	76%	0.764	S	S	*	*				-129	-169.4	-114.8	39.9	-18.4	0	0	0	115.6
655	S	30.4	Very low	32	Very low	117 Å²	117	133.7 Å²	133.7	82%	0.818	77%	0.773	S	S	*	*			trans	-122.6	121.3	179.7	57.3	0	0	0	0	113
656	S	30.1	Very low	32.2	Very low	98 Å²	98	129.8 Å²	129.8	69%	0.685	78%	0.778	S	S	*	*			trans	-168.7	129.5	170.1	53.6	0	0	0	0	113.3
657	E	26.2	Very low	31.7	Very low	187 Å²	187	128.2 Å²	128.2	87%	0.874	78%	0.78	S	S	*	*			trans	62.2	159.7	145.4	-65.2	178.4	-168.6	0	0	121
658	H	27.6	Very low	31.1	Very low	149 Å²	149	127 Å²	127	69%	0.69	79%	0.787	S	S	*	*			cis	-167.8	119.6	-34.2	-174.9	84.6	0	0	0	111.1
659	F	25	Very low	31.1	Very low	159 Å²	159	120.5 Å²	120.5	70%	0.697	79%	0.787	S	S	*	*			trans	63.9	175	162	-88.3	-108.8	0	0	0	117.2
660	P	37.3	Very low	31.1	Very low	123 Å²	123	120.5 Å²	120.5	80%	0.799	80%	0.8	S	S	*	*			cis	-127.4	174.3	11.1	43.5	-28.1	0	0	0	118.3
661	S	30.1	Very low	31.1	Very low	92 Å²	92	117 Å²	117	64%	0.643	81%	0.805	S	S	*	*			trans	-94.8	172.8	169.6	-37.6	0	0	0	0	112.1
662	P	43.7	Very low	31.1	Very low	111 Å²	111	115.2 Å²	115.2	72%	0.721	81%	0.811	S	S	*	*			trans	-139.5	136.5	136.5	35.8	-22.7	0	0	0	115.7
663	Q	30.9	Very low	31.1	Very low	200 Å²	200	110.3 Å²	110.3	94%	0.935	81%	0.813	S	S	*	*			trans	56.3	140.5	143.4	-57.9	176.8	3.3	0	0	121.1
664	G	29.7	Very low	30.9	Very low	75 Å²	75	107.9 Å²	107.9	77%	0.773	81%	0.81	S	S	*	*			cis	167.4	142.6	-8	0	0	0	0	0	114.8
665	G	29.3	Very low	30.4	Very low	88 Å²	88	110.1 Å²	110.1	91%	0.907	81%	0.814	S	S	*	*			trans	78.5	141.5	177	0	0	0	0	0	114.6
666	G	29.9	Very low	30.3	Very low	88 Å²	88	111.7 Å²	111.7	91%	0.907	81%	0.808	S	S	*	*			cis	143	134.1	-2	0	0	0	0	0	109.6
667	G	30.6	Very low	30.3	Very low	82 Å²	82	113.3 Å²	113.3	85%	0.845	81%	0.814	S	S	*	*			cis	-179.8	-169.5	-2.9	0	0	0	0	0	109
668	G	31.5	Very low	30.4	Very low	83 Å²	83	108.3 Å²	108.3	86%	0.856	80%	0.804	S	S	*	*			trans	93.3	77	159.2	0	0	0	0	0	119.7
669	G	31.2	Very low	30.8	Very low	81 Å²	81	107.9 Å²	107.9	84%	0.835	81%	0.806	S	S	*	*				69.2	173	124.9	0	0	0	0	0	121.9
670	G	31.2	Very low	31.2	Very low	86 Å²	86	106 Å²	106	89%	0.887	81%	0.809	S	S	*	*			trans	96.1	123.6	168.5	0	0	0	0	0	115.2
671	G	30	Very low	30.9	Very low	87 Å²	87	106.9 Å²	106.9	90%	0.897	81%	0.807	S	S	*	*			trans	-107.8	164.5	163.6	0	0	0	0	0	110.9
672	G	29.6	Very low	31.2	Very low	83 Å²	83	107.4 Å²	107.4	86%	0.856	81%	0.811	S	S	*	*			trans	152.8	143.4	-177	0	0	0	0	0	109.2
673	G	28.6	Very low	30.7	Very low	83 Å²	83	108.5 Å²	108.5	86%	0.856	82%	0.815	S	S	*	*			trans	-117.3	169.9	-172.7	0	0	0	0	0	114.3
674	G	28.4	Very low	30.7	Very low	70 Å²	70	105.5 Å²	105.5	72%	0.722	81%	0.805	S	S	*	*			trans	102	155.7	167.6	0	0	0	0	0	115.1
675	L	27.1	Very low	30.8	Very low	170 Å²	170	107.7 Å²	107.7	89%	0.89	80%	0.804	S	S	*	*			trans	68.2	149.2	170.2	-58.7	176.3	0	0	0	115.5
676	H	28.1	Very low	31.6	Very low	151 Å²	151	109 Å²	109	70%	0.699	80%	0.796	S	S	*	*			cis	-163.5	142.6	-17.2	172.4	-87.1	0	0	0	108.4	A678	H676-A678 PolarHBondContact O-N 3.3Å
677	V	30.9	Very low	32.1	Very low	132 Å²	132	110.7 Å²	110.7	80%	0.8	79%	0.791	S	S	*	*			trans	-80.5	107.3	173.1	176.5	0	0	0	0	109.1
678	A	27.4	Very low	32.1	Very low	81 Å²	81	110.4 Å²	110.4	67%	0.669	79%	0.788	S	S	*	*			trans	-99.1	115.3	178.9	0	0	0	0	0	111.7	H676	H676-A678 PolarHBondContact O-N 3.3Å
679	I	37.3	Very low	32.1	Very low	141 Å²	141	110.5 Å²	110.5	72%	0.723	78%	0.781	S	S	*	*			trans	-92.2	135.5	162.5	-61	170.2	0	0	0	107.7
680	P	33	Very low	32	Very low	120 Å²	120	114.9 Å²	114.9	78%	0.779	79%	0.785	S	S	*	*			trans	-107.2	108.9	165.1	32.5	-21.9	0	0	0	112
681	D	30.2	Very low	32	Very low	140 Å²	140	114 Å²	114	75%	0.749	78%	0.775	S	S	*	*			trans	-66.9	160.2	155.7	-65.2	-64	0	0	0	109.5
682	S	37.5	Very low	32	Very low	104 Å²	104	114.6 Å²	114.6	73%	0.727	77%	0.772	S	S	*	*				173.3	-176	77.1	-71.2	0	0	0	0	111.7
683	V	33.3	Very low	32	Very low	134 Å²	134	115.3 Å²	115.3	81%	0.812	77%	0.77	S	S	*	*			trans	94.7	120.2	162.4	-176.1	0	0	0	0	116
684	L	29.1	Very low	32	Very low	137 Å²	137	115.3 Å²	115.3	72%	0.717	76%	0.762	S	S	*	*			cis	-162.4	135.8	-22.9	-148.7	-168.2	0	0	0	111.9
685	T	33.5	Very low	32.1	Very low	121 Å²	121	123.3 Å²	123.3	74%	0.742	77%	0.77	S	S	*	*			trans	48.3	142.9	149.7	48.2	0	0	0	0	124.1
686	P	44.5	Very low	32.2	Very low	115 Å²	115	123.2 Å²	123.2	75%	0.747	76%	0.763	S	S	*	*			trans	-104.7	-175.5	169.6	43.3	-36.2	0	0	0	113.2
687	P	40.3	Very low	32.2	Very low	124 Å²	124	121.1 Å²	121.1	81%	0.805	76%	0.761	S	S	*	*			trans	-107.5	150	146.9	36.2	-28.5	0	0	0	112.6
688	G	30.9	Very low	32.2	Very low	75 Å²	75	122.2 Å²	122.2	77%	0.773	76%	0.757	S	S	*	*			trans	-87.7	-164	159.4	0	0	0	0	0	111.1
689	A	32.1	Very low	32.3	Very low	86 Å²	86	128 Å²	128	71%	0.711	77%	0.767	S	S	*	*			cis	-155.6	-165.8	-3.1	0	0	0	0	0	108.6
690	D	30	Very low	31.9	Very low	172 Å²	172	124.6 Å²	124.6	92%	0.92	77%	0.768	S	S	*	*			trans	65	158	172.6	-53.4	-34.4	0	0	0	116.3
691	G	29.9	Very low	31.7	Very low	67 Å²	67	123.8 Å²	123.8	69%	0.691	77%	0.771	S	S	*	*			cis	176.3	139.9	-9.8	0	0	0	0	0	112.5
692	A	29.2	Very low	31.8	Very low	100 Å²	100	122.5 Å²	122.5	83%	0.826	77%	0.773	S	S	*	*			trans	38.8	115.9	159	0	0	0	0	0	121.9
693	A	29.7	Very low	31.5	Very low	98 Å²	98	121.4 Å²	121.4	81%	0.81	77%	0.77	S	S	*	*				82	138.1	125.8	0	0	0	0	0	123.2
694	A	30.4	Very low	31.3	Very low	83 Å²	83	121.1 Å²	121.1	69%	0.686	77%	0.769	S	S	*	*			trans	83	128	136.5	0	0	0	0	0	121.9
695	R	30.2	Very low	31.4	Very low	238 Å²	238	119.4 Å²	119.4	90%	0.898	78%	0.775	S	S	*	*			trans	72.6	159	144.4	-70.1	171.1	-177.4	-173.8	3	117.4
696	K	29.5	Very low	31.3	Very low	169 Å²	169	117.7 Å²	117.7	74%	0.735	77%	0.772	S	S	*	*			cis	-179.2	135.1	-25	-177.5	-160.3	-178	-168	0	107.9
697	T	27.4	Very low	30.5	Very low	106 Å²	106	120.8 Å²	120.8	65%	0.65	78%	0.782	S	S	*	*			trans	60.7	172.5	164.6	41.5	0	0	0	0	115.4
698	Q	30.3	Very low	30.1	Very low	155 Å²	155	119.3 Å²	119.3	72%	0.724	78%	0.78	S	S	*	*			cis	-152.4	150.3	-3.3	-135.4	158.1	-57.4	0	0	112.1
699	F	29.7	Very low	30.8	Very low	202 Å²	202	121 Å²	121	89%	0.886	78%	0.777	S	S	*	*			trans	26.5	143.7	139.9	-78.2	-119.7	0	0	0	123.6
700	G	29.1	Very low	30.7	Very low	71 Å²	71	123.5 Å²	123.5	73%	0.732	78%	0.783	S	S	*	*			trans	143.2	106.9	159	0	0	0	0	0	111
701	A	29.8	Very low	30.8	Very low	102 Å²	102	119.6 Å²	119.6	84%	0.843	78%	0.775	S	S	*	*			cis	68.6	129.6	39.3	0	0	0	0	0	112.8
702	S	31.1	Very low	30.8	Very low	113 Å²	113	122.6 Å²	122.6	79%	0.79	79%	0.786	S	S	*	*			cis	-167.5	164.6	-5.2	-164.2	0	0	0	0	110.8
703	A	31.2	Very low	30.9	Very low	81 Å²	81	125.2 Å²	125.2	67%	0.669	79%	0.786	S	S	*	*			trans	63.3	166.8	149.6	0	0	0	0	0	118.9
704	T	30.3	Very low	32.1	Very low	128 Å²	128	125 Å²	125	79%	0.785	78%	0.776	S	S	*	*			cis	-167.4	146.1	-30.1	31.4	0	0	0	0	108.4
705	A	29.8	Very low	31.9	Very low	102 Å²	102	129 Å²	129	84%	0.843	79%	0.785	S	S	*	*			trans	61.3	173.1	155.2	0	0	0	0	0	117.7
706	A	32.4	Very low	31.8	Very low	84 Å²	84	123 Å²	123	69%	0.694	78%	0.779	S	S	*	*			cis	-165.6	176.4	-43.4	0	0	0	0	0	109.4
707	L	27.5	Very low	32.6	Very low	180 Å²	180	120.5 Å²	120.5	94%	0.942	78%	0.781	S	S	*	*			trans	80.3	154.4	166.8	-53.5	172.6	0	0	0	118.8
708	A	30.7	Very low	33.7	Very low	93 Å²	93	121.1 Å²	121.1	77%	0.769	79%	0.787	S	S	*	*			trans	-109.9	-153.9	172	0	0	0	0	0	108.4
709	P	47.1	Very low	33.5	Very low	110 Å²	110	121.2 Å²	121.2	71%	0.714	79%	0.791	S	S	*	*			cis	-149.1	-168.8	16.5	46.7	-25.3	0	0	0	117.6
710	V	29.8	Very low	33.5	Very low	139 Å²	139	117.1 Å²	117.1	84%	0.842	79%	0.787	S	S	*	*			trans	68.5	160.4	158.3	177.4	0	0	0	0	118.1
711	A	32.6	Very low	33.3	Very low	91 Å²	91	118 Å²	118	75%	0.752	79%	0.788	S	S	*	*				-175.4	155.3	-68.3	0	0	0	0	0	110.2
712	S	28.2	Very low	33	Very low	130 Å²	130	118.7 Å²	118.7	91%	0.909	79%	0.787	S	S	*	*			trans	-161.8	156.9	164.2	49.7	0	0	0	0	113.4
713	D	31.8	Very low	33.8	Very low	154 Å²	154	118.9 Å²	118.9	82%	0.824	79%	0.785	S	S	*	*			trans	-138.7	-168.6	-172.4	-150.1	28.2	0	0	0	107.2
714	P	54.8	Low	33.8	Very low	93 Å²	93	125.3 Å²	125.3	60%	0.604	79%	0.792	S	S	*	*			cis	-137.5	-172.4	-3.9	42.2	-22.5	0	0	0	115.7
715	L	27.1	Very low	33.8	Very low	167 Å²	167	124.8 Å²	124.8	87%	0.874	79%	0.785	S	S	*	*				168.5	154.2	125.9	-88	169.3	0	0	0	114.7
716	S	27.5	Very low	33.6	Very low	112 Å²	112	130.2 Å²	130.2	78%	0.783	79%	0.789	S	S	*	*			trans	-115.4	-163.5	-177.3	-38.3	0	0	0	0	111.2
717	P	47.2	Very low	33.3	Very low	118 Å²	118	134.9 Å²	134.9	77%	0.766	80%	0.796	S	S	*	*			cis	-132.8	-133.3	-12.4	42.1	-20.3	0	0	0	110.4
718	P	50.3	Low	34.9	Very low	119 Å²	119	132 Å²	132	77%	0.773	79%	0.788	S	S	*	*			cis	-123.7	-130.7	-35.1	39.6	-20.2	0	0	0	113.7
719	L	26.2	Very low	34.8	Very low	157 Å²	157	131 Å²	131	82%	0.822	79%	0.788	S	S	*	*			trans	-128.8	162.3	-155.6	-65.3	164.6	0	0	0	117
720	S	28.7	Very low	34	Very low	115 Å²	115	134.1 Å²	134.1	80%	0.804	80%	0.798	S	S	*	*			trans	85.8	135.8	136.5	67.2	0	0	0	0	125.4
721	A	25.6	Very low	34	Very low	90 Å²	90	131 Å²	131	74%	0.744	79%	0.794	S	S	*	*			trans	77.8	110	140.3	0	0	0	0	0	124.4
722	S	23.7	Very low	33.9	Very low	117 Å²	117	130.7 Å²	130.7	82%	0.818	80%	0.8	S	S	*	*				54.2	162.5	120.4	-72.7	0	0	0	0	123.7
723	P	47.9	Very low	34	Very low	116 Å²	116	128.4 Å²	128.4	75%	0.753	80%	0.797	S	S	*	*			cis	-144.4	-179.9	-29	38.9	-19.8	0	0	0	116.4
724	R	29.9	Very low	34	Very low	216 Å²	216	125.2 Å²	125.2	82%	0.815	80%	0.8	S	S	*	*			trans	101.7	134.2	132.5	-152.7	165	-166.9	155.9	9.2	124
725	D	30.3	Very low	32.9	Very low	118 Å²	118	124.6 Å²	124.6	63%	0.631	81%	0.811	S	S	*	*			trans	1.5	143.7	157.5	-36.9	-31.6	0	0	0	123.2
726	K	26.1	Very low	33.1	Very low	215 Å²	215	120.6 Å²	120.6	94%	0.935	81%	0.81	S	S	*	*				-165	153.7	119.7	-110.5	169.5	-174.7	178.4	0	116.2
727	H	27.3	Very low	33.3	Very low	182 Å²	182	119.3 Å²	119.3	84%	0.843	81%	0.814	S	S	*	*			trans	-127.2	-175.6	175.9	-129.6	-13.3	0	0	0	106.5
728	P	60.3	Low	32.6	Very low	120 Å²	120	117.8 Å²	117.8	78%	0.779	82%	0.82	S	S	*	*				-121.5	-174.5	-60.1	33.7	-15.7	0	0	0	112.6
729	G	27.8	Very low	31.7	Very low	73 Å²	73	116 Å²	116	75%	0.753	82%	0.823	S	S	*	*			trans	167.2	127.5	160.4	0	0	0	0	0	111.7
730	N	31	Very low	31.9	Very low	174 Å²	174	112.1 Å²	112.1	93%	0.93	82%	0.821	S	S	*	*			cis	105.5	118.8	25.7	-179.3	78.9	0	0	0	112.5
731	G	29.6	Very low	32.1	Very low	73 Å²	73	112 Å²	112	75%	0.753	83%	0.827	S	S	*	*			trans	165.7	82.1	170.2	0	0	0	0	0	118.6
732	G	29.8	Very low	32.2	Very low	86 Å²	86	111.7 Å²	111.7	89%	0.887	83%	0.833	S	S	*	*			trans	78.7	158.5	155.6	0	0	0	0	0	118.6
733	G	30.2	Very low	32.4	Very low	82 Å²	82	110 Å²	110	85%	0.845	83%	0.834	S	S	*	*			cis	161.9	113.5	-10.4	0	0	0	0	0	114.9
734	G	32.2	Very low	31.4	Very low	86 Å²	86	108.4 Å²	108.4	89%	0.887	84%	0.839	S	S	*	*			trans	83.8	154.8	175.5	0	0	0	0	0	114.9
735	G	31.9	Very low	31.4	Very low	81 Å²	81	101.7 Å²	101.7	84%	0.835	84%	0.837	S	S	*	*			cis	165.8	142.4	-11	0	0	0	0	0	113.7
736	G	31.6	Very low	32	Very low	82 Å²	82	102.4 Å²	102.4	85%	0.845	85%	0.848	S	S	*	*			trans	89.1	92.1	155.7	0	0	0	0	0	119.7
737	G	31.5	Very low	32	Very low	86 Å²	86	97.6 Å²	97.6	89%	0.887	84%	0.841	S	S	*	*				75.3	166.9	126.5	0	0	0	0	0	121.3
738	G	32	Very low	32.1	Very low	86 Å²	86	93 Å²	93	89%	0.887	84%	0.835	S	S	*	*			trans	102.6	116.9	168.8	0	0	0	0	0	113.9
739	G	31.5	Very low	30.5	Very low	81 Å²	81	93 Å²	93	84%	0.835	84%	0.838	S	S	*	*			trans	-113.6	167.7	177.3	0	0	0	0	0	113.3
740	G	30.4	Very low	30.6	Very low	76 Å²	76	96.9 Å²	96.9	78%	0.784	84%	0.841	S	S	*	*			trans	101.8	113.4	139	0	0	0	0	0	118.8
741	A	32.8	Very low	30.3	Very low	111 Å²	111	93.9 Å²	93.9	92%	0.917	83%	0.834	S	S	*	*			trans	70.7	155.4	149.8	0	0	0	0	0	119.8
742	G	29.1	Very low	30.3	Very low	84 Å²	84	97.5 Å²	97.5	87%	0.866	84%	0.835	S	S	*	*			trans	91.9	137	-175.4	0	0	0	0	0	113.1
743	G	27.9	Very low	30.1	Very low	82 Å²	82	100.9 Å²	100.9	85%	0.845	83%	0.832	S	S	*	*			cis	137	115.3	-9.5	0	0	0	0	0	113.1
744	G	27.2	Very low	30.1	Very low	83 Å²	83	106.2 Å²	106.2	86%	0.856	83%	0.828	S	S	*	*			trans	98.2	145.5	174.1	0	0	0	0	0	115.1
745	G	29.6	Very low	30.1	Very low	75 Å²	75	107.8 Å²	107.8	77%	0.773	82%	0.82	S	S	*	*			trans	-94.8	-137.6	167.8	0	0	0	0	0	111
746	P	41.8	Very low	30.1	Very low	132 Å²	132	106.2 Å²	106.2	86%	0.857	81%	0.805	S	S	*	*			cis	-139.2	-149	14.1	44.4	-24.9	0	0	0	113.2
747	S	27.3	Very low	30.3	Very low	114 Å²	114	107.5 Å²	107.5	80%	0.797	79%	0.792	S	S	*	*			trans	87.5	105.5	163.6	-155.5	0	0	0	0	117.5
748	A	28.7	Very low	30.4	Very low	86 Å²	86	109.4 Å²	109.4	71%	0.711	78%	0.781	S	S	*	*			trans	-98.6	158.5	165.5	0	0	0	0	0	110.8
749	S	27.8	Very low	30.3	Very low	121 Å²	121	110.3 Å²	110.3	85%	0.846	76%	0.763	S	S	*	*			trans	-152.8	133.3	162.4	-76.2	0	0	0	0	109
750	N	28.5	Very low	30.4	Very low	153 Å²	153	109.1 Å²	109.1	82%	0.818	74%	0.744	S	S	*	*			trans	-93.3	145.2	-163.1	-70.5	-31.7	0	0	0	114.2
751	S	25.9	Very low	30.5	Very low	112 Å²	112	111.2 Å²	111.2	78%	0.783	74%	0.737	S	S	*	*			trans	-158.4	87.7	141.5	-174.5	0	0	0	0	108.3
752	L	28.2	Very low	30.5	Very low	148 Å²	148	112.1 Å²	112.1	78%	0.775	72%	0.722	S	S	*	*				60.8	104.3	92.7	-71.3	170.9	0	0	0	114.2
753	L	27.1	Very low	30.7	Very low	158 Å²	158	115.8 Å²	115.8	83%	0.827	71%	0.71	S	S	*	*				-174.2	164.4	118.4	-95.7	166.1	0	0	0	109.8
754	Y	29.3	Very low	30.9	Very low	194 Å²	194	117.5 Å²	117.5	76%	0.761	70%	0.699	S	S	*	*			trans	61.5	71.1	180	-75	-81.9	0	0	0	117.6	D757	Y754-D757 VanDerWaalsContact CD1-OD2 3.27Å; Y754-D757 WeakPolarHBondContact CD1-OD2 3.46Å; Y754-D757 WeakPolarHBondContact CE1-OD2 3.27Å
755	T	31.6	Very low	31.2	Very low	118 Å²	118	120.2 Å²	120.2	72%	0.724	69%	0.69	S	S	*	*			trans	-116.2	-10.7	161.2	48	0	0	0	0	114.4
756	G	32.3	Very low	31.3	Very low	49 Å²	49	121.1 Å²	121.1	51%	0.505	69%	0.69	S	S	.	*	H	α-helix	trans	-72.4	-40.4	-175.5	0	0	0	0	0	115	L758 E759 A760	G756-L758 VanDerWaalsContact C-N 3.27Å; G756-L758 PolarHBondContact O-N 3.02Å; G756-E759 PolarHBondContact O-N 2.89Å; G756-A760 PolarHBondContact O-N 3.08Å
757	D	35.4	Very low	30.8	Very low	109 Å²	109	115.8 Å²	115.8	58%	0.583	66%	0.659	S	S	*	*	H	α-helix	trans	-69.4	-24.7	-174.1	-61.4	-48.4	0	0	0	113	Y754 L761	Y754-D757 VanDerWaalsContact CD1-OD2 3.27Å; Y754-D757 WeakPolarHBondContact CD1-OD2 3.46Å; Y754-D757 WeakPolarHBondContact CE1-OD2 3.27Å; D757-L761 PolarHBondContact O-N 2.61Å; D757-L761 VanDerWaalsContact O-N 3.11Å
758	L	33.9	Very low	31.6	Very low	126 Å²	126	115.7 Å²	115.7	66%	0.66	65%	0.65	S	S	*	*	H	α-helix	trans	-73	-40.8	178.3	-146.7	77.4	0	0	0	111.6	G756 A760 L761 Q762	G756-L758 VanDerWaalsContact C-N 3.27Å; G756-L758 PolarHBondContact O-N 3.02Å; L758-A760 VanDerWaalsContact C-N 3.28Å; L758-A760 PolarHBondContact O-N 2.7Å; L758-L761 PolarHBondContact O-N 3.17Å; L758-Q762 WeakPolarHBondContact O-CB 3.36Å; L758-Q762 PolarHBondContact O-N 3.39Å
759	E	30.4	Very low	31.6	Very low	105 Å²	105	117.1 Å²	117.1	49%	0.491	65%	0.649	S	S	.	*	H	α-helix	trans	-67.5	-26.6	175.8	-100.2	-157.9	97.6	0	0	113.2	G756 R763	G756-E759 PolarHBondContact O-N 2.89Å; E759-R763 WeakPolarHBondContact O-CG 3.42Å; E759-R763 PolarHBondContact O-N 2.9Å; E759-R763 PolarHBondContact O-NH1 3.15Å; E759-R763 VanDerWaalsContact O-NH1 3.07Å; E759-R763 IonicContact OE1-CZ 2.7Å; E759-R763 IonicContact OE1-NH1 3.11Å; E759-R763 PolarHBondContact OE1-NH1 3.25Å; E759-R763 IonicContact OE1-NH2 2.81Å; E759-R763 PolarHBondContact OE1-NH2 2.81Å
760	A	33.6	Very low	31.7	Very low	55 Å²	55	115.6 Å²	115.6	46%	0.455	63%	0.634	S	S	.	*	H	α-helix	trans	-73.5	-43.7	171.4	0	0	0	0	0	111.5	G756 L758 Q762 R763 L764	G756-A760 PolarHBondContact O-N 3.08Å; L758-A760 VanDerWaalsContact C-N 3.28Å; L758-A760 PolarHBondContact O-N 2.7Å; A760-Q762 VanDerWaalsContact C-N 3.33Å; A760-Q762 PolarHBondContact O-N 2.94Å; A760-R763 PolarHBondContact O-N 3.5Å; A760-L764 PolarHBondContact O-N 3.37Å
761	L	33.3	Very low	31.6	Very low	120 Å²	120	115 Å²	115	63%	0.628	63%	0.63	S	S	*	*	H	α-helix	trans	-65.1	-37.4	177.2	-151.3	75.2	0	0	0	112	D757 L758 L764	D757-L761 PolarHBondContact O-N 2.61Å; D757-L761 VanDerWaalsContact O-N 3.11Å; L758-L761 PolarHBondContact O-N 3.17Å; L761-L764 PolarHBondContact O-N 3.48Å
762	Q	31.9	Very low	31.7	Very low	130 Å²	130	115.3 Å²	115.3	61%	0.607	63%	0.63	S	S	*	*	H	α-helix	trans	-75.5	-29.5	-179.6	-160.3	166.3	16.8	0	0	113	L758 A760 Q765	L758-Q762 WeakPolarHBondContact O-CB 3.36Å; L758-Q762 PolarHBondContact O-N 3.39Å; A760-Q762 VanDerWaalsContact C-N 3.33Å; A760-Q762 PolarHBondContact O-N 2.94Å; Q762-Q765 PolarHBondContact O-N 3.07Å
763	R	32.5	Very low	31.5	Very low	161 Å²	161	115.4 Å²	115.4	61%	0.608	63%	0.63	S	S	*	*	H	α-helix	trans	-73.1	-28.9	170.4	-78.1	-178.3	-176.5	75.4	-2.6	113.3	E759 A760 Q765 A766	E759-R763 WeakPolarHBondContact O-CG 3.42Å; E759-R763 PolarHBondContact O-N 2.9Å; E759-R763 PolarHBondContact O-NH1 3.15Å; E759-R763 VanDerWaalsContact O-NH1 3.07Å; E759-R763 IonicContact OE1-CZ 2.7Å; E759-R763 IonicContact OE1-NH1 3.11Å; E759-R763 PolarHBondContact OE1-NH1 3.25Å; E759-R763 IonicContact OE1-NH2 2.81Å; E759-R763 PolarHBondContact OE1-NH2 2.81Å; A760-R763 PolarHBondContact O-N 3.5Å; R763-Q765 PolarHBondContact O-N 2.98Å; R763-A766 PolarHBondContact O-N 3.14Å
764	L	32.3	Very low	31.5	Very low	118 Å²	118	114.4 Å²	114.4	62%	0.618	63%	0.631	S	S	*	*	G	3₁₀ helix	trans	-64.1	-17.4	173.1	-86.7	164.5	0	0	0	113.7	A760 L761 A766	A760-L764 PolarHBondContact O-N 3.37Å; L761-L764 PolarHBondContact O-N 3.48Å; L764-A766 VanDerWaalsContact C-N 3.28Å; L764-A766 PolarHBondContact O-N 2.87Å
765	Q	33.7	Very low	31.3	Very low	140 Å²	140	113 Å²	113	65%	0.654	63%	0.631	S	S	*	*	G	3₁₀ helix	trans	-79	-5.9	176.3	-58.7	-175.1	-79.4	0	0	114	Q762 R763	Q762-Q765 PolarHBondContact O-N 3.07Å; R763-Q765 PolarHBondContact O-N 2.98Å
766	A	32.1	Very low	31	Very low	94 Å²	94	118.2 Å²	118.2	78%	0.777	64%	0.637	S	S	*	*	G	3₁₀ helix	trans	-95.4	-4.9	175.9	0	0	0	0	0	113.8	R763 L764	R763-A766 PolarHBondContact O-N 3.14Å; L764-A766 VanDerWaalsContact C-N 3.28Å; L764-A766 PolarHBondContact O-N 2.87Å
767	G	30.1	Very low	30.8	Very low	20 Å²	20	121.9 Å²	121.9	21%	0.206	65%	0.649	C	S	.	*	S	Bend	trans	-102.1	143.7	175	0	0	0	0	0	111.7	V769	G767-V769 VanDerWaalsContact C-N 3.29Å; G767-V769 PolarHBondContact O-N 3.07Å
768	N	44.2	Very low	30.4	Very low	113 Å²	113	123.1 Å²	123.1	60%	0.604	66%	0.661	S	S	*	*	S	Bend	trans	-75.3	61.9	-169.7	-73.2	-44.2	0	0	0	115.3	Y363	Y363-N768 HydrophobicContact CE2-CB 4.38Å
769	V	30.4	Very low	30	Very low	115 Å²	115	120.4 Å²	120.4	70%	0.697	66%	0.664	S	S	*	*			trans	-146.3	107.5	152.2	-175	0	0	0	0	109.6	G767	G767-V769 VanDerWaalsContact C-N 3.29Å; G767-V769 PolarHBondContact O-N 3.07Å
770	V	28.1	Very low	29.9	Very low	89 Å²	89	122.2 Å²	122.2	54%	0.539	68%	0.682	S	S	.	*			trans	-118.9	116.6	165.6	176.9	0	0	0	0	108.6
771	L	28.1	Very low	29.6	Very low	141 Å²	141	128.5 Å²	128.5	74%	0.738	71%	0.707	S	S	*	*			trans	-67.1	143.2	169.8	-72.6	168.5	0	0	0	109.5	L773	L771-L773 PolarHBondContact O-N 2.86Å
772	P	27	Very low	29.2	Very low	119 Å²	119	127.5 Å²	127.5	77%	0.773	72%	0.716	S	S	*	*			trans	-59.1	103.5	-172.7	-26.8	35.5	0	0	0	114	V774	P772-V774 PolarHBondContact O-N 3.17Å
773	L	23.9	Very low	29	Very low	149 Å²	149	125.7 Å²	125.7	78%	0.78	72%	0.723	S	S	*	*			trans	-73.4	106.8	166	-97.7	84.2	0	0	0	108.9	L771 H775	L771-L773 PolarHBondContact O-N 2.86Å; L773-H775 VanDerWaalsContact C-N 3.35Å; L773-H775 PolarHBondContact O-N 3.24Å
774	V	27.7	Very low	28.7	Very low	138 Å²	138	124.9 Å²	124.9	84%	0.836	74%	0.736	S	S	*	*			trans	-69.8	90.9	173.4	-177.8	0	0	0	0	109.3	P772 R776	P772-V774 PolarHBondContact O-N 3.17Å; V774-R776 PolarHBondContact O-N 3.01Å
775	H	25.7	Very low	28.4	Very low	165 Å²	165	124.9 Å²	124.9	76%	0.764	75%	0.747	S	S	*	*			trans	-73	112.5	179.2	-154.1	-91.5	0	0	0	110.3	L773 V777	L773-H775 VanDerWaalsContact C-N 3.35Å; L773-H775 PolarHBondContact O-N 3.24Å; H775-V777 PolarHBondContact O-N 2.81Å
776	R	24.3	Very low	28.2	Very low	227 Å²	227	124.9 Å²	124.9	86%	0.857	76%	0.756	S	S	*	*			trans	-79.9	82.4	-169.7	-166.8	-177.5	-169.9	178.7	4.8	112.2	V774 T778	V774-R776 PolarHBondContact O-N 3.01Å; R776-T778 PolarHBondContact O-N 3.33Å
777	V	27.9	Very low	28	Very low	125 Å²	125	125.5 Å²	125.5	76%	0.758	76%	0.761	S	S	*	*			trans	-70.8	119.3	173	-179.3	0	0	0	0	110.4	H775 G779	H775-V777 PolarHBondContact O-N 2.81Å; V777-G779 PolarHBondContact O-N 2.85Å
778	T	26.5	Very low	27.8	Very low	135 Å²	135	129.2 Å²	129.2	83%	0.828	79%	0.79	S	S	*	*			trans	-83.5	99.9	172.8	46.8	0	0	0	0	110.7	R776	R776-T778 PolarHBondContact O-N 3.33Å
779	G	26.9	Very low	26.8	Very low	70 Å²	70	133 Å²	133	72%	0.722	80%	0.804	S	S	*	*			trans	-113	128.8	170.5	0	0	0	0	0	111.6	V777	V777-G779 PolarHBondContact O-N 2.85Å
780	T	27.8	Very low	26.6	Very low	143 Å²	143	137 Å²	137	88%	0.877	81%	0.807	S	S	*	*			trans	-99.5	117	177.8	49.7	0	0	0	0	111.4
781	L	27.2	Very low	26.4	Very low	186 Å²	186	138.9 Å²	138.9	97%	0.974	82%	0.818	S	S	*	*			trans	-141.4	161.1	165.5	-95.6	174.8	0	0	0	111.6
782	A	25.4	Very low	26.2	Very low	99 Å²	99	140.5 Å²	140.5	82%	0.818	82%	0.815	S	S	*	*			trans	-87.8	165.5	-166	0	0	0	0	0	114.3
783	A	27.4	Very low	26	Very low	92 Å²	92	141.5 Å²	141.5	76%	0.76	82%	0.82	S	S	*	*			trans	-85.8	156.6	-174.1	0	0	0	0	0	114.1
784	T	25.4	Very low	26.1	Very low	144 Å²	144	140.5 Å²	140.5	88%	0.883	82%	0.82	S	S	*	*			trans	-169.2	162.3	134.4	10.9	0	0	0	0	113.4
785	S	26.6	Very low	25.9	Very low	119 Å²	119	138 Å²	138	83%	0.832	82%	0.822	S	S	*	*			trans	81.9	150.6	163.5	-148.8	0	0	0	0	119
786	T	29.1	Very low	25.9	Very low	140 Å²	140	135.2 Å²	135.2	86%	0.859	82%	0.817	S	S	*	*			trans	-132.2	134	-168	46.4	0	0	0	0	110.9
787	A	27.5	Very low	25.9	Very low	106 Å²	106	131.5 Å²	131.5	88%	0.876	81%	0.812	S	S	*	*			trans	-143.8	145.2	172.6	0	0	0	0	0	110.6
788	A	26.9	Very low	25.8	Very low	99 Å²	99	136.3 Å²	136.3	82%	0.818	82%	0.817	S	S	*	*			trans	-86	146.1	-169.8	0	0	0	0	0	113.6
789	Q	23.8	Very low	25.7	Very low	191 Å²	191	138.8 Å²	138.8	89%	0.893	81%	0.812	S	S	*	*			trans	-67.8	130	172.9	-67.2	174.7	-24.2	0	0	111
790	R	25	Very low	25.6	Very low	200 Å²	200	140 Å²	140	76%	0.755	82%	0.815	S	S	*	*			trans	-108.4	121.4	161.1	-71.8	-168.2	-180	-174.8	3.6	109.5	Y792	R790-Y792 HydrophobicContact CB-CD2 4.27Å; R790-Y792 HydrophobicContact CB-CE2 3.76Å; R790-Y792 PolarHBondContact NH1-OH 3.42Å
791	V	23.3	Very low	25.6	Very low	128 Å²	128	138.9 Å²	138.9	78%	0.776	81%	0.811	S	S	*	*			trans	-89.3	127.5	171.8	-179.9	0	0	0	0	108.5
792	Y	26	Very low	25.7	Very low	175 Å²	175	134.8 Å²	134.8	69%	0.686	80%	0.804	S	S	*	*			trans	-121.2	145.4	169.8	-72.4	-75.1	0	0	0	109.9	R790	R790-Y792 HydrophobicContact CB-CD2 4.27Å; R790-Y792 HydrophobicContact CB-CE2 3.76Å; R790-Y792 PolarHBondContact NH1-OH 3.42Å
793	T	22.7	Very low	25.7	Very low	141 Å²	141	138.4 Å²	138.4	87%	0.865	80%	0.803	S	S	*	*			trans	-91.7	137.4	-164.4	44.3	0	0	0	0	113.1
794	T	25.1	Very low	25.7	Very low	127 Å²	127	140.3 Å²	140.3	78%	0.779	81%	0.806	S	S	*	*			trans	-97.8	108.3	179.1	43.8	0	0	0	0	111.7	T796	T794-T796 PolarHBondContact O-N 3.19Å
795	G	23.8	Very low	25.7	Very low	85 Å²	85	139.4 Å²	139.4	88%	0.876	80%	0.8	S	S	*	*			trans	-65.3	117.1	174.2	0	0	0	0	0	111.7
796	T	25.6	Very low	25.7	Very low	108 Å²	108	141.6 Å²	141.6	66%	0.663	80%	0.801	S	S	*	*			trans	-108.2	113.2	-179.3	-57.5	0	0	0	0	110.7	T794 R798	T794-T796 PolarHBondContact O-N 3.19Å; T796-R798 PolarHBondContact O-N 3.14Å
797	I	24.5	Very low	25.5	Very low	148 Å²	148	138.8 Å²	138.8	76%	0.759	79%	0.792	S	S	*	*			trans	-76	116.4	171.8	-59.8	175.7	0	0	0	108.4	Y799	I797-Y799 HydrophobicContact CG2-CD2 4.43Å; I797-Y799 HydrophobicContact CG2-CE2 4.09Å
798	R	24.5	Very low	25.3	Very low	226 Å²	226	141.4 Å²	141.4	85%	0.853	79%	0.788	S	S	*	*			trans	-94.8	137	174	-62.9	-175	-179.4	-167.4	0.1	110.5	T796	T796-R798 PolarHBondContact O-N 3.14Å
799	Y	26.2	Very low	25.3	Very low	188 Å²	188	144.7 Å²	144.7	74%	0.737	79%	0.787	S	S	*	*			trans	-109.7	139.8	155.5	-78.7	-87	0	0	0	108.2	I797	I797-Y799 HydrophobicContact CG2-CD2 4.43Å; I797-Y799 HydrophobicContact CG2-CE2 4.09Å
800	A	24.2	Very low	25.2	Very low	94 Å²	94	140.2 Å²	140.2	78%	0.777	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-88.3	145	-175.8	0	0	0	0	0	111.9
801	P	27.7	Very low	25.3	Very low	121 Å²	121	137.5 Å²	137.5	79%	0.786	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-71.9	155.6	163	33	-34.1	0	0	0	110.4
802	A	28.6	Very low	25.5	Very low	100 Å²	100	139 Å²	139	83%	0.826	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-71.6	143.8	175.2	0	0	0	0	0	111.7
803	E	25.5	Very low	25.6	Very low	174 Å²	174	138.8 Å²	138.8	81%	0.813	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-75.3	146.2	177.7	-61.6	-168.8	161	0	0	112.3
804	V	28.4	Very low	25.7	Very low	133 Å²	133	138 Å²	138	81%	0.806	79%	0.787	S	S	*	*			trans	-127.4	102.2	160.5	178.1	0	0	0	0	107.8	L806	V804-L806 PolarHBondContact O-N 3.09Å
805	T	24.7	Very low	25.7	Very low	124 Å²	124	139.3 Å²	139.3	76%	0.761	79%	0.789	S	S	*	*			trans	-77.8	118.6	-178.6	-30.2	0	0	0	0	110.6
806	L	26.3	Very low	25.8	Very low	165 Å²	165	140 Å²	140	86%	0.864	79%	0.787	S	S	*	*			trans	-136.7	137.6	166.9	-100.5	165.4	0	0	0	108.9	V804	V804-L806 PolarHBondContact O-N 3.09Å
807	A	25.1	Very low	25.8	Very low	81 Å²	81	143.7 Å²	143.7	67%	0.669	80%	0.796	S	S	*	*			trans	-121.6	156.3	-160.7	0	0	0	0	0	113.5
808	M	24	Very low	25.8	Very low	161 Å²	161	141.3 Å²	141.3	79%	0.793	80%	0.798	S	S	*	*			trans	70.9	151.4	173.4	-50.3	177.5	69.7	0	0	113.9
809	Q	25.3	Very low	25.9	Very low	169 Å²	169	136.5 Å²	136.5	79%	0.79	79%	0.794	S	S	*	*			cis	-146	155.7	6.1	-148	165.7	6.5	0	0	110.9
810	S	22.7	Very low	25.8	Very low	96 Å²	96	134.6 Å²	134.6	67%	0.671	80%	0.797	S	S	*	*			trans	-87.9	143.7	-177.2	54.3	0	0	0	0	113.7
811	N	26.7	Very low	25.9	Very low	143 Å²	143	139.7 Å²	139.7	77%	0.765	80%	0.802	S	S	*	*				-176.8	141.1	126.5	-95.8	-17.4	0	0	0	115.9
812	L	28	Very low	25.9	Very low	161 Å²	161	140 Å²	140	84%	0.843	80%	0.801	S	S	*	*			trans	61.6	112.7	149.6	-61	170.3	0	0	0	121.2
813	L	27.3	Very low	25.9	Very low	170 Å²	170	142.7 Å²	142.7	89%	0.89	80%	0.802	S	S	*	*			trans	-116.5	156.4	156.5	-77.3	168.4	0	0	0	109.7
814	P	25.8	Very low	26	Very low	125 Å²	125	141.2 Å²	141.2	81%	0.812	80%	0.804	S	S	*	*			trans	-106.9	152	156.2	10.2	10.6	0	0	0	112.9
815	N	25.3	Very low	25.9	Very low	154 Å²	154	142.4 Å²	142.4	82%	0.824	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-54.3	152.2	-169.1	-67.3	-19.7	0	0	0	117.8
816	A	25	Very low	25.9	Very low	100 Å²	100	141.9 Å²	141.9	83%	0.826	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-100.9	148	150.4	0	0	0	0	0	110.3
817	H	25.5	Very low	26.7	Very low	184 Å²	184	140.3 Å²	140.3	85%	0.852	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-95.9	139.4	173.3	-77	-86.9	0	0	0	111.3
818	A	24.7	Very low	26.6	Very low	98 Å²	98	140 Å²	140	81%	0.81	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-94.6	148.7	175.5	0	0	0	0	0	111.9
819	V	25.9	Very low	26.6	Very low	125 Å²	125	143.2 Å²	143.2	76%	0.758	82%	0.822	S	S	*	*			trans	-140.7	123.2	168.5	-171.4	0	0	0	0	108.6	F821	V819-F821 HydrophobicContact CG1-CD2 4.38Å; V819-F821 HydrophobicContact CG1-CE2 4.24Å
820	N	25.7	Very low	26.7	Very low	148 Å²	148	138.8 Å²	138.8	79%	0.791	82%	0.821	S	S	*	*			trans	-85.9	157.3	171.5	-73.5	-25.9	0	0	0	110.7
821	F	25.1	Very low	27.1	Very low	202 Å²	202	143 Å²	143	89%	0.886	84%	0.835	S	S	*	*			trans	-133.9	160.6	158.9	-101.1	-85.1	0	0	0	111.4	V819	V819-F821 HydrophobicContact CG1-CD2 4.38Å; V819-F821 HydrophobicContact CG1-CE2 4.24Å
822	V	29.2	Very low	27.2	Very low	126 Å²	126	143.2 Å²	143.2	76%	0.764	84%	0.836	S	S	*	*			trans	-128	155.6	-161.5	174.7	0	0	0	0	110.3
823	D	27.2	Very low	27.7	Very low	158 Å²	158	141.2 Å²	141.2	85%	0.845	83%	0.833	S	S	*	*			trans	-51	145.7	176.8	-76.6	-55.6	0	0	0	115.1
824	V	27.2	Very low	27.8	Very low	143 Å²	143	140.5 Å²	140.5	87%	0.867	82%	0.823	S	S	*	*			trans	-139	138.7	159.3	-179.3	0	0	0	0	108.5
825	N	27.6	Very low	28.6	Very low	157 Å²	157	139.6 Å²	139.6	84%	0.84	82%	0.815	S	S	*	*			trans	-116	173.5	-177.4	-126.2	-33.1	0	0	0	111.4
826	S	25.3	Very low	29.3	Very low	114 Å²	114	137.5 Å²	137.5	80%	0.797	81%	0.81	S	S	*	*			trans	89.6	151.1	175	-63.9	0	0	0	0	117.8
827	P	41.2	Very low	29.7	Very low	132 Å²	132	139.5 Å²	139.5	86%	0.857	80%	0.803	S	S	*	*			trans	-122.4	163.8	-135.8	41.8	-31.6	0	0	0	116.8
828	G	25	Very low	30.3	Very low	74 Å²	74	135.8 Å²	135.8	76%	0.763	79%	0.787	S	S	*	*			trans	-167.7	145.1	169.8	0	0	0	0	0	112.9
829	F	23.8	Very low	30.8	Very low	229 Å²	229	138.5 Å²	138.5	100%	1.004	78%	0.784	S	S	*	*			trans	-58.2	139.9	-175.7	-86.9	-111.8	0	0	0	114.7
830	G	26	Very low	31.3	Very low	75 Å²	75	137 Å²	137	77%	0.773	77%	0.771	S	S	*	*			trans	170.4	118.1	165	0	0	0	0	0	112.3
831	L	31.3	Very low	31.6	Very low	184 Å²	184	138.2 Å²	138.2	96%	0.963	77%	0.766	S	S	*	*			trans	-94.4	123.6	174.3	-74	170	0	0	0	109.9
832	D	30.3	Very low	32.1	Very low	149 Å²	149	135.6 Å²	135.6	80%	0.797	76%	0.757	S	S	*	*			trans	-147.8	129.5	171.2	-156.9	27.1	0	0	0	108.8	K834	D832-K834 PolarHBondContact O-N 3.09Å
833	P	36.9	Very low	32.5	Very low	118 Å²	118	135.4 Å²	135.4	77%	0.766	75%	0.747	S	S	*	*			trans	-77	112.7	-172.4	28.9	-33.1	0	0	0	111.9
834	K	30.9	Very low	33	Very low	156 Å²	156	131.5 Å²	131.5	68%	0.678	73%	0.728	S	S	*	*			trans	-55.6	149.4	176.5	-77	-169	172	-173.2	0	113.5	D832 E838	D832-K834 PolarHBondContact O-N 3.09Å; K834-E838 WeakPolarHBondContact CD-OE1 3.48Å; K834-E838 WeakPolarHBondContact CD-OE2 3.47Å; K834-E838 IonicContact NZ-OE1 2.61Å; K834-E838 PolarHBondContact NZ-OE1 2.91Å; K834-E838 IonicContact NZ-OE2 2.66Å
835	T	42.1	Very low	33.4	Very low	105 Å²	105	131.3 Å²	131.3	64%	0.644	72%	0.718	S	S	*	*			trans	-76.3	163.8	-170.8	46.2	0	0	0	0	114.3	M837	T835-M837 PolarHBondContact O-N 2.77Å
836	P	40.4	Very low	33.9	Very low	111 Å²	111	133.3 Å²	133.3	72%	0.721	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.4	-2.5	-177.7	-26	36	0	0	0	117.1
837	M	33.8	Very low	34.4	Very low	141 Å²	141	133.2 Å²	133.2	70%	0.695	70%	0.704	S	S	*	*	H	α-helix	trans	-67.9	-35.8	-174.2	-136.5	77.3	177.5	0	0	113	T835 M839 L840 Y841	T835-M837 PolarHBondContact O-N 2.77Å; M837-M839 VanDerWaalsContact C-N 3.34Å; M837-M839 PolarHBondContact O-N 3.07Å; M837-L840 PolarHBondContact O-N 2.8Å; M837-Y841 PolarHBondContact O-N 3.33Å
838	E	36.2	Very low	34.2	Very low	107 Å²	107	133.5 Å²	133.5	50%	0.5	70%	0.698	S	S	.	*	H	α-helix	trans	-69.6	-30.7	-177.2	-67	-176.9	158.8	0	0	112.2	K834 Y841 H842	K834-E838 WeakPolarHBondContact CD-OE1 3.48Å; K834-E838 WeakPolarHBondContact CD-OE2 3.47Å; K834-E838 IonicContact NZ-OE1 2.61Å; K834-E838 PolarHBondContact NZ-OE1 2.91Å; K834-E838 IonicContact NZ-OE2 2.66Å; E838-Y841 PolarHBondContact O-N 3.29Å; E838-H842 PolarHBondContact O-N 3.02Å
839	M	36.5	Very low	34.6	Very low	154 Å²	154	137.4 Å²	137.4	76%	0.759	70%	0.698	S	S	*	*	H	α-helix	trans	-65.8	-41.7	173.1	-79.7	179.2	60.8	0	0	112.4	M837 Y841 H842 H843	M837-M839 VanDerWaalsContact C-N 3.34Å; M837-M839 PolarHBondContact O-N 3.07Å; M839-Y841 VanDerWaalsContact C-N 3.29Å; M839-Y841 PolarHBondContact O-N 2.95Å; M839-H842 PolarHBondContact O-N 2.81Å; M839-H843 PolarHBondContact O-N 3.47Å
840	L	37.1	Very low	35	Very low	93 Å²	93	131.4 Å²	131.4	49%	0.487	69%	0.685	S	S	.	*	H	α-helix	trans	-62.9	-39.8	177.4	-170.2	69	0	0	0	110.8	M837 H842 H843 V844	M837-L840 PolarHBondContact O-N 2.8Å; L840-H842 PolarHBondContact O-N 2.85Å; L840-H843 PolarHBondContact O-N 3.25Å; L840-V844 WeakPolarHBondContact O-CG2 3.22Å; L840-V844 PolarHBondContact O-N 2.97Å
841	Y	31.2	Very low	35.1	Very low	174 Å²	174	130.9 Å²	130.9	68%	0.682	68%	0.679	S	S	*	*	H	α-helix	trans	-60.4	-42.9	176.9	-151.4	-91.6	0	0	0	112.1	M837 E838 M839 H845	M837-Y841 PolarHBondContact O-N 3.33Å; E838-Y841 PolarHBondContact O-N 3.29Å; M839-Y841 VanDerWaalsContact C-N 3.29Å; M839-Y841 PolarHBondContact O-N 2.95Å; Y841-H845 PolarHBondContact O-N 3.39Å
842	H	35.7	Very low	35.5	Very low	148 Å²	148	128.2 Å²	128.2	69%	0.685	67%	0.673	S	S	*	*	H	α-helix	trans	-69	-35.5	175.2	-108	-22.6	0	0	0	113.5	E838 M839 L840 H845 R846	E838-H842 PolarHBondContact O-N 3.02Å; M839-H842 PolarHBondContact O-N 2.81Å; L840-H842 PolarHBondContact O-N 2.85Å; H842-H845 PolarHBondContact O-N 2.63Å; H842-R846 PolarHBondContact O-N 3.06Å
843	H	37.3	Very low	35.3	Very low	122 Å²	122	131.2 Å²	131.2	57%	0.565	68%	0.679	S	S	*	*	H	α-helix	trans	-68	-44	178.5	-158.7	88.1	0	0	0	111.8	M839 L840 H845 R846 L847	M839-H843 PolarHBondContact O-N 3.47Å; L840-H843 PolarHBondContact O-N 3.25Å; H843-H845 VanDerWaalsContact C-N 3.3Å; H843-H845 PolarHBondContact O-N 2.96Å; H843-R846 PolarHBondContact O-N 3.09Å; H843-L847 PolarHBondContact O-N 3.31Å
844	V	37.3	Very low	34.8	Very low	75 Å²	75	129.5 Å²	129.5	46%	0.455	68%	0.683	S	S	.	*	H	α-helix	trans	-60.2	-39.7	173.9	172.5	0	0	0	0	111.3	L840 R846 L847	L840-V844 WeakPolarHBondContact O-CG2 3.22Å; L840-V844 PolarHBondContact O-N 2.97Å; V844-R846 VanDerWaalsContact C-N 3.29Å; V844-R846 PolarHBondContact O-N 3.27Å; V844-L847 PolarHBondContact O-N 2.83Å; V844-L847 VanDerWaalsContact O-N 3.14Å
845	H	35.1	Very low	34.7	Very low	140 Å²	140	125.8 Å²	125.8	65%	0.648	69%	0.689	S	S	*	*	H	α-helix	trans	-67.3	-24.3	178.4	-121.6	-68.9	0	0	0	114.3	Y841 H842 H843	Y841-H845 PolarHBondContact O-N 3.39Å; H842-H845 PolarHBondContact O-N 2.63Å; H843-H845 VanDerWaalsContact C-N 3.3Å; H843-H845 PolarHBondContact O-N 2.96Å
846	R	38.8	Very low	34	Very low	199 Å²	199	125.4 Å²	125.4	75%	0.751	70%	0.697	S	S	*	*	H	α-helix	trans	-76.9	-22.1	172.3	-92	-171.7	164.9	-144.4	-6.7	113.4	H842 H843 V844	H842-R846 PolarHBondContact O-N 3.06Å; H843-R846 PolarHBondContact O-N 3.09Å; V844-R846 VanDerWaalsContact C-N 3.29Å; V844-R846 PolarHBondContact O-N 3.27Å
847	L	36.2	Very low	33.3	Very low	112 Å²	112	126.8 Å²	126.8	59%	0.586	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.5	0.5	-176.5	-69.6	171	0	0	0	114.5	H843 V844 M849	H843-L847 PolarHBondContact O-N 3.31Å; V844-L847 PolarHBondContact O-N 2.83Å; V844-L847 VanDerWaalsContact O-N 3.14Å; L847-M849 HydrophobicContact CB-CG 4.45Å; L847-M849 PolarHBondContact O-N 2.86Å; L847-M849 VanDerWaalsContact O-N 3.17Å
848	N	37.4	Very low	33	Very low	137 Å²	137	125.7 Å²	125.7	73%	0.733	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	54.7	31.8	174.7	-161.7	43.8	0	0	0	115.1	S850	N848-S850 PolarHBondContact O-N 3.01Å
849	M	33.4	Very low	32.5	Very low	156 Å²	156	125.3 Å²	125.3	77%	0.768	72%	0.724	S	S	*	*			trans	-88.2	76.4	-178.4	-74.7	-70.5	-85.2	0	0	112	L847	L847-M849 HydrophobicContact CB-CG 4.45Å; L847-M849 PolarHBondContact O-N 2.86Å; L847-M849 VanDerWaalsContact O-N 3.17Å
850	S	31.9	Very low	32	Very low	104 Å²	104	122.5 Å²	122.5	73%	0.727	73%	0.725	S	S	*	*			trans	-123	82.4	169.9	49.7	0	0	0	0	111.8	N848	N848-S850 PolarHBondContact O-N 3.01Å
851	G	28.8	Very low	31.4	Very low	63 Å²	63	123 Å²	123	65%	0.649	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-68.1	148.6	166.2	0	0	0	0	0	111.6
852	P	37.8	Very low	31.2	Very low	129 Å²	129	121.7 Å²	121.7	84%	0.838	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-82.9	128	-162.3	31.1	-35.4	0	0	0	114.2
853	F	27.3	Very low	30.7	Very low	212 Å²	212	119.6 Å²	119.6	93%	0.93	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-89.8	136.7	147.1	-86.9	-91.1	0	0	0	109
854	G	26.5	Very low	30.2	Very low	82 Å²	82	122.8 Å²	122.8	85%	0.845	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-76.3	125.6	-167.7	0	0	0	0	0	114.4
855	G	28.6	Very low	29.6	Very low	77 Å²	77	127.6 Å²	127.6	79%	0.794	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-90.2	129	159.6	0	0	0	0	0	110.3
856	A	27.7	Very low	29.8	Very low	98 Å²	98	126.3 Å²	126.3	81%	0.81	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-75.5	144.9	-176.2	0	0	0	0	0	112.8
857	V	25.8	Very low	29.2	Very low	140 Å²	140	121.7 Å²	121.7	85%	0.848	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-74.8	125.4	170.2	-177	0	0	0	0	109.1
858	S	26.9	Very low	28.8	Very low	117 Å²	117	119.6 Å²	119.6	82%	0.818	79%	0.787	S	S	*	*			trans	-123.5	124.2	165.7	-70.8	0	0	0	0	108.5
859	A	25	Very low	28.3	Very low	100 Å²	100	120.5 Å²	120.5	83%	0.826	79%	0.792	S	S	*	*			trans	-106.9	127.6	-173.5	0	0	0	0	0	111.4
860	A	26.8	Very low	28.1	Very low	94 Å²	94	118 Å²	118	78%	0.777	79%	0.786	S	S	*	*			trans	-149.4	130.2	164.2	0	0	0	0	0	111.3
861	S	24.5	Very low	27.8	Very low	104 Å²	104	122.6 Å²	122.6	73%	0.727	79%	0.792	S	S	*	*			trans	-25.8	162.7	149.7	53.3	0	0	0	0	117.6
862	L	26	Very low	27.8	Very low	146 Å²	146	124.5 Å²	124.5	76%	0.764	79%	0.792	S	S	*	*			cis	-163.4	151.4	31.3	-156.9	71.9	0	0	0	113
863	T	26.6	Very low	27.4	Very low	105 Å²	105	125.5 Å²	125.5	64%	0.644	80%	0.796	S	S	*	*			trans	25.8	140.4	151.9	57.4	0	0	0	0	125.8
864	Q	26.1	Very low	27.5	Very low	189 Å²	189	119.9 Å²	119.9	88%	0.883	79%	0.789	S	S	*	*			trans	87.6	153.8	134.6	-83.3	178.7	-20.5	0	0	122.7
865	M	24.6	Very low	27.5	Very low	176 Å²	176	125.9 Å²	125.9	87%	0.867	79%	0.794	S	S	*	*			trans	-101.3	-174.2	-177.5	-58.6	-133	-63.3	0	0	109.8
866	P	38.3	Very low	27.5	Very low	112 Å²	112	125.1 Å²	125.1	73%	0.727	79%	0.787	S	S	*	*			cis	-148.5	172.6	11.5	45.2	-25	0	0	0	120.5
867	A	27.8	Very low	27.6	Very low	102 Å²	102	127.5 Å²	127.5	84%	0.843	79%	0.785	S	S	*	*			trans	62.1	139.2	138.8	0	0	0	0	0	125.3
868	G	27.1	Very low	27.9	Very low	69 Å²	69	129.6 Å²	129.6	71%	0.711	78%	0.783	S	S	*	*			trans	99.1	138.7	155.6	0	0	0	0	0	116.3
869	N	27.8	Very low	28	Very low	155 Å²	155	128.8 Å²	128.8	83%	0.829	78%	0.778	S	S	*	*			cis	-148.3	129.9	-6.7	-95.6	-8	0	0	0	108.6
870	V	27.4	Very low	28.2	Very low	105 Å²	105	130.9 Å²	130.9	64%	0.636	78%	0.781	S	S	*	*				69.1	113.5	94.9	179.3	0	0	0	0	116.6	T872	V870-T872 HydrophobicContact CG1-CG2 4.14Å
871	F	26.4	Very low	28.4	Very low	199 Å²	199	133.9 Å²	133.9	87%	0.873	78%	0.783	S	S	*	*			trans	170.5	85.7	145.1	-97.7	-68.4	0	0	0	107.7
872	T	28.7	Very low	29.1	Very low	103 Å²	103	134.9 Å²	134.9	63%	0.632	79%	0.787	S	S	*	*				74.1	96.1	72	67.7	0	0	0	0	117.3	V870	V870-T872 HydrophobicContact CG1-CG2 4.14Å
873	T	29.1	Very low	29.3	Very low	151 Å²	151	136.9 Å²	136.9	93%	0.926	79%	0.79	S	S	*	*			trans	-169.9	163.2	142	24.3	0	0	0	0	109.8
874	A	29.3	Very low	29.9	Very low	94 Å²	94	138 Å²	138	78%	0.777	80%	0.798	S	S	*	*				-171.6	113.9	-86.9	0	0	0	0	0	110.4
875	E	27.4	Very low	30	Very low	207 Å²	207	134.5 Å²	134.5	97%	0.967	79%	0.79	S	S	*	*			trans	-144.8	155.7	168.6	-72.3	-165.8	151.2	0	0	110.7
876	G	27.8	Very low	30.2	Very low	62 Å²	62	136.3 Å²	136.3	64%	0.639	79%	0.788	S	S	*	*			trans	-131.5	150.1	176.1	0	0	0	0	0	111.2
877	L	30.4	Very low	29.7	Very low	147 Å²	147	135.1 Å²	135.1	77%	0.77	78%	0.783	S	S	*	*				62.8	132.2	74.9	-60.3	179.9	0	0	0	112.5
878	F	31.1	Very low	29.7	Very low	184 Å²	184	137.9 Å²	137.9	81%	0.807	78%	0.784	S	S	*	*			cis	-144.6	-175.2	11	-73.2	-76.9	0	0	0	110.3
879	S	30.1	Very low	29.7	Very low	101 Å²	101	138.4 Å²	138.4	71%	0.706	79%	0.788	S	S	*	*			cis	161.5	123.8	-46	-175.1	0	0	0	0	109.7
880	T	28.8	Very low	29.9	Very low	144 Å²	144	138.4 Å²	138.4	88%	0.883	79%	0.787	S	S	*	*			trans	-143	140.5	174	39	0	0	0	0	115.6
881	L	31.4	Very low	30.1	Very low	157 Å²	157	142.7 Å²	142.7	82%	0.822	80%	0.8	S	S	*	*			trans	-138.7	155.3	166.8	-76.7	171.6	0	0	0	108.4
882	P	37.9	Very low	30.2	Very low	125 Å²	125	137.4 Å²	137.4	81%	0.812	79%	0.792	S	S	*	*			trans	-117.1	133.5	160.2	35	-24.4	0	0	0	113.3
883	F	30.2	Very low	30.2	Very low	188 Å²	188	136.9 Å²	136.9	83%	0.825	80%	0.799	S	S	*	*			trans	-132.3	147.1	159.6	-90.6	-77.9	0	0	0	107.8
884	P	40.4	Very low	30.2	Very low	127 Å²	127	138.3 Å²	138.3	83%	0.825	80%	0.795	S	S	*	*			trans	-101.8	163.3	150	33.7	-26.6	0	0	0	111.6
885	V	28.3	Very low	30.2	Very low	117 Å²	117	139.1 Å²	139.1	71%	0.709	79%	0.79	S	S	*	*			trans	-131.8	171.3	-166.7	173	0	0	0	0	110.1
886	Y	28.1	Very low	30.3	Very low	213 Å²	213	136.4 Å²	136.4	84%	0.835	78%	0.781	S	S	*	*			trans	117.5	140.3	162.3	-67.7	-59	0	0	0	115.1
887	S	27.2	Very low	30.4	Very low	87 Å²	87	141.4 Å²	141.4	61%	0.608	79%	0.788	S	S	*	*			cis	-161	158.5	-13.2	-160.3	0	0	0	0	112.4
888	N	28	Very low	30.5	Very low	161 Å²	161	145 Å²	145	86%	0.861	79%	0.791	S	S	*	*			trans	43.2	133.1	152.4	-68.3	-13.4	0	0	0	122.8
889	G	27.6	Very low	30.5	Very low	79 Å²	79	143.8 Å²	143.8	81%	0.814	79%	0.786	S	S	*	*			trans	-178.2	87.9	163.5	0	0	0	0	0	113.1
890	I	32.7	Very low	30.7	Very low	156 Å²	156	146 Å²	146	80%	0.8	79%	0.785	S	S	*	*			trans	-95.7	130.6	-179	-62.5	169.8	0	0	0	110.2
891	H	31.3	Very low	31.1	Very low	195 Å²	195	150.6 Å²	150.6	90%	0.903	81%	0.805	S	S	*	*			trans	-158.3	162.1	139.3	-109	-75.6	0	0	0	109.8
892	A	29	Very low	31.1	Very low	87 Å²	87	150.3 Å²	150.3	72%	0.719	80%	0.804	S	S	*	*			trans	-142	160.1	-157.4	0	0	0	0	0	115.9
893	A	28.6	Very low	30.8	Very low	92 Å²	92	151.6 Å²	151.6	76%	0.76	80%	0.803	S	S	*	*			trans	81	157	153.3	0	0	0	0	0	120
894	Q	27.9	Very low	30.8	Very low	182 Å²	182	149.6 Å²	149.6	85%	0.85	80%	0.802	S	S	*	*			trans	72.9	146.2	169.9	-60.4	-172.5	6	0	0	118
895	T	30.1	Very low	30.2	Very low	111 Å²	111	150.9 Å²	150.9	68%	0.681	80%	0.801	S	S	*	*				-179.9	142.7	-51.1	23.2	0	0	0	0	107.5
896	L	29.5	Very low	30.4	Very low	149 Å²	149	153.1 Å²	153.1	78%	0.78	81%	0.806	S	S	*	*			trans	64.7	158.6	171.4	-87.6	66.1	0	0	0	114.2
897	E	30.6	Very low	30.5	Very low	167 Å²	167	149.1 Å²	149.1	78%	0.78	81%	0.805	S	S	*	*			cis	-140.7	-176	-2.7	-148.1	157.1	-159.6	0	0	112.2
898	R	31.9	Very low	30.7	Very low	222 Å²	222	153.5 Å²	153.5	84%	0.838	82%	0.819	S	S	*	*			trans	-67.1	169.1	163.1	-65.6	173.6	168.5	83.4	-1.6	108.9
899	K	31.3	Very low	31	Very low	160 Å²	160	152.9 Å²	152.9	70%	0.696	82%	0.815	S	S	*	*			cis	-174.6	161.1	47.2	-166.4	-179.2	163.3	-169.7	0	111.7
900	E	34.6	Very low	31.2	Very low	146 Å²	146	159.1 Å²	159.1	68%	0.682	82%	0.815	S	S	*	*			trans	-2.3	126	161.9	-63.8	132.6	-122.9	0	0	118.7
901	D	37.3	Very low	31.1	Very low	242 Å²	242	159.4 Å²	159.4	100%	1.294	82%	0.817	S	S	*	*				-146.1	0	92.3	-94.5	-24.1	0	0	0	110.1

Retrieved 901 of 901 residues in 210.4 ms (Link to these results)

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