A0A3Q0KS33_SCHMA Loading...

IQ domain-containing protein H

AlphaFold DB , UniProt , Accession A0A3Q0KS33, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,165 aa.

						>A0A3Q0KS33_SCHMA|A0A3Q0KS33
MATQYPDKIGELLLKARDNLELMNMIFADGNKGDVNESSLLQSLLNKAHLNIKNLSHELALKATEEHFSPAEIADDILRFNDRCLLAQRSKVSFERSENKQINLNTKENGQIDAVDLYPLKHLSPGEKFKLENALKILSDPNHPFNRQTVQNEYGIQLPTILQTRITEEQQRQNRKIRESKNQPNVALTTVKKKKRDLKLIQYDETSDNHCNALNLIQRGLIPSNAQITFDPSPMQTKSMHLVSASTKLPHQSITISDLCPVYEPTNILEVPKPITCKKKSRSVLSDSKSAVVHDVSKPDRNAESVFITETSTVSKRQASSKATPPPCTPVTTASPHGNFWLTTEEGVFQTQSEDYQAFEAQFTENWDKISTLLCELENLFDFYGISVAVVNGIKLAKLAKDYENNLASLTSDILLTCIEDSQTIRRIMTEPGSSFRGRQGPTRAAIKIQSTFRRYRAQKQYAEQKRLRGAAAIISTSWIRYKKMKKLRERLSNTRKYCTEISQKKLKELGNNWERFEQNNHVIVHLPSASYSESIRQQLGSIEELEYMESRQIARICEIRNPNTDVVLVTRAPISDDLLEYYNKLLGLTTAIETGQAENQCSISSRYRIIVPEAIKYFHSNAPSPMCLASLLKYSPRALKHIRRFIAGRPAILIPGFGQHDDIFYVANCLEIPVWCSIPSINSLFTLQSTTRRLVKQFLDTLSERDISTDLKQQNISKASALFTSVITSRRKVIEDTRTNKLVEGFGKFKKKDLDKVVIGQNYWPIEQPPGDFDIYTMDHLYETLASLFTENLPIKNWLLKIDHNNIDKRATAYISIDNLQSFKWALEQRQWHGAVRWNKKWAQETTYVKILSEVPQLLQRHLKLFPNGFYTDSTSFIEAFLKHGGVIEACPPIDEWTNLSVVIAILPNKTVRIVASGDQLHSEDKFYTWGETIPMSSVTPLWVNNLSMGLGSLMANKGVVGYVNIDFLTFIHPEKNEQILWITDIKPGYTDLLAMTQLVLFATNTTFEINQSTGEHQIIAKPPTILLEKMINKSQEIQKDKFKRYAVVSTRLHHSNLSMIQYSVFFKICKANYIGYNLKDRQGILFSPMDSYRRDRLALVSISESLEEALKKFGSTLKILHKEVSTPNMTGISNFQSVIKEMEQILGQIIENSIEQKHHSNNE
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.4	Very low	62.1	Low	133 Å²	133	88.3 Å²	88.3	66%	0.655	49%	0.489	S	S	*	.				0	-72.4	0	-75.2	-162.8	-176	0	0	111.6	T3 Q4 Y5	M1-T3 VanDerWaalsContact C-N 3.27Å; M1-T3 PolarHBondContact O-N 2.74Å; M1-Q4 PolarHBondContact O-N 2.74Å; M1-Y5 PolarHBondContact O-N 2.94Å
2	A	44.2	Very low	62.4	Low	70 Å²	70	84.6 Å²	84.6	58%	0.579	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-34.4	-179.5	0	0	0	0	0	114.2	I9	A2-I9 HydrophobicContact CB-CD1 3.95Å
3	T	55.9	Low	63.1	Low	133 Å²	133	87.1 Å²	87.1	82%	0.816	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-22.5	173.7	43.7	0	0	0	0	114.5	M1	M1-T3 VanDerWaalsContact C-N 3.27Å; M1-T3 PolarHBondContact O-N 2.74Å
4	Q	55.9	Low	64	Low	132 Å²	132	87.6 Å²	87.6	62%	0.617	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	-25.2	-173.7	-80.2	173.7	-33.7	0	0	113.2	M1	M1-Q4 PolarHBondContact O-N 2.74Å
5	Y	65.9	Low	64.5	Low	48 Å²	48	88.9 Å²	88.9	19%	0.188	48%	0.479	C	S	.	.			trans	-136.6	56.3	-179.7	-55.8	-75.5	0	0	0	111.5	M1 D7 K8 I9 L59 E66	M1-Y5 PolarHBondContact O-N 2.94Å; Y5-D7 VanDerWaalsContact C-N 3.28Å; Y5-D7 PolarHBondContact O-N 3.46Å; Y5-K8 PolarHBondContact O-N 3.15Å; Y5-I9 PolarHBondContact O-N 2.89Å; Y5-L59 HydrophobicContact CD1-CD2 3.95Å; Y5-L59 HydrophobicContact CD2-CD1 4.3Å; Y5-L59 HydrophobicContact CD2-CD2 3.83Å; Y5-L59 HydrophobicContact CE1-CD2 4.21Å; Y5-L59 HydrophobicContact CE2-CD2 4.09Å; Y5-L59 HydrophobicContact CG-CD2 3.75Å; Y5-E66 PolarHBondContact OH-OE2 2.86Å
6	P	64.5	Low	64.8	Low	73 Å²	73	86.1 Å²	86.1	47%	0.474	47%	0.471	S	S	.	.	H	α-helix	trans	-59.7	-38.9	-176.2	24.9	-33.4	0	0	0	112	K8 I9 G10	P6-K8 PolarHBondContact O-N 3.27Å; P6-I9 PolarHBondContact O-N 3.26Å; P6-G10 PolarHBondContact O-N 3.28Å
7	D	75.5	Confident	65.2	Low	140 Å²	140	89.3 Å²	89.3	75%	0.749	48%	0.475	S	S	*	.	H	α-helix	trans	-63.4	-45.1	-176.8	-54.6	-25.2	0	0	0	112.3	Y5 I9 G10 E11	Y5-D7 VanDerWaalsContact C-N 3.28Å; Y5-D7 PolarHBondContact O-N 3.46Å; D7-I9 VanDerWaalsContact C-N 3.32Å; D7-I9 PolarHBondContact O-N 2.94Å; D7-G10 PolarHBondContact O-N 3.08Å; D7-E11 PolarHBondContact O-N 3.41Å
8	K	65.3	Low	65.8	Low	51 Å²	51	89 Å²	89	22%	0.222	47%	0.474	C	S	.	.	H	α-helix	trans	-65.8	-34	178.7	-87.2	-174.3	160.5	-155.7	0	112.6	Y5 P6 L12 L55 E58 L59	Y5-K8 PolarHBondContact O-N 3.15Å; P6-K8 PolarHBondContact O-N 3.27Å; K8-L12 PolarHBondContact O-N 3Å; K8-L55 HydrophobicContact CB-CD2 4.33Å; K8-L55 HydrophobicContact CD-CD1 4.22Å; K8-E58 IonicContact NZ-OE1 2.81Å; K8-E58 PolarHBondContact NZ-OE1 2.96Å; K8-L59 HydrophobicContact CD-CD2 3.67Å; K8-L59 HydrophobicContact CD-CG 4.45Å
9	I	64.6	Low	66	Low	61 Å²	61	88.3 Å²	88.3	31%	0.313	47%	0.47	S	S	.	.	H	α-helix	trans	-73.1	-40.4	174.2	-63.3	-176.6	0	0	0	110.2	A2 Y5 P6 D7 E11 L12 L13	A2-I9 HydrophobicContact CB-CD1 3.95Å; Y5-I9 PolarHBondContact O-N 2.89Å; P6-I9 PolarHBondContact O-N 3.26Å; D7-I9 VanDerWaalsContact C-N 3.32Å; D7-I9 PolarHBondContact O-N 2.94Å; I9-E11 VanDerWaalsContact C-N 3.3Å; I9-E11 PolarHBondContact O-N 3.3Å; I9-L12 PolarHBondContact O-N 3.14Å; I9-L13 HydrophobicContact CG2-CD1 4.16Å; I9-L13 HydrophobicContact CG2-CG 4.47Å; I9-L13 WeakPolarHBondContact O-CG 3.43Å; I9-L13 PolarHBondContact O-N 2.89Å
10	G	73.5	Confident	66	Low	29 Å²	29	88.8 Å²	88.8	30%	0.299	47%	0.472	S	S	.	.	H	α-helix	trans	-56.6	-43.4	173.5	0	0	0	0	0	112.3	P6 D7 L12 L13 L14	P6-G10 PolarHBondContact O-N 3.28Å; D7-G10 PolarHBondContact O-N 3.08Å; G10-L12 PolarHBondContact O-N 2.89Å; G10-L13 PolarHBondContact O-N 3.04Å; G10-L14 WeakPolarHBondContact O-CB 3.32Å; G10-L14 WeakPolarHBondContact O-CG 3.09Å; G10-L14 PolarHBondContact O-N 3.38Å
11	E	74.1	Confident	66.2	Low	101 Å²	101	88.8 Å²	88.8	47%	0.472	47%	0.469	S	S	.	.	H	α-helix	trans	-64.6	-38.4	178.2	-149.4	-159.5	142.2	0	0	112.8	D7 I9 K15	D7-E11 PolarHBondContact O-N 3.41Å; I9-E11 VanDerWaalsContact C-N 3.3Å; I9-E11 PolarHBondContact O-N 3.3Å; E11-K15 PolarHBondContact O-N 3.14Å; E11-K15 IonicContact OE1-NZ 2.61Å; E11-K15 PolarHBondContact OE1-NZ 2.98Å
12	L	66.6	Low	67.3	Low	44 Å²	44	87 Å²	87	23%	0.23	46%	0.462	C	S	.	.	H	α-helix	trans	-65.6	-41.2	173.1	-87.6	-179.3	0	0	0	112.2	K8 I9 G10 K15 A16 N51 I52 L55	K8-L12 PolarHBondContact O-N 3Å; I9-L12 PolarHBondContact O-N 3.14Å; G10-L12 PolarHBondContact O-N 2.89Å; L12-K15 PolarHBondContact O-N 3.09Å; L12-A16 WeakPolarHBondContact O-CB 3.44Å; L12-A16 PolarHBondContact O-N 3.03Å; L12-N51 HydrophobicContact CD2-CB 4.22Å; L12-I52 HydrophobicContact CD1-CG1 4.27Å; L12-L55 HydrophobicContact CD1-CB 4.13Å; L12-L55 HydrophobicContact CD1-CD2 3.24Å; L12-L55 HydrophobicContact CD1-CG 4.27Å; L12-L55 HydrophobicContact CG-CD2 3.93Å
13	L	70.3	Confident	67.9	Low	117 Å²	117	85 Å²	85	61%	0.613	44%	0.441	S	S	*	.	H	α-helix	trans	-67.1	-38.4	177.9	-71.5	173.6	0	0	0	111.5	I9 G10 A16 R17	I9-L13 HydrophobicContact CG2-CD1 4.16Å; I9-L13 HydrophobicContact CG2-CG 4.47Å; I9-L13 WeakPolarHBondContact O-CG 3.43Å; I9-L13 PolarHBondContact O-N 2.89Å; G10-L13 PolarHBondContact O-N 3.04Å; L13-A16 PolarHBondContact O-N 3.48Å; L13-R17 WeakPolarHBondContact O-CB 3.13Å; L13-R17 PolarHBondContact O-N 3.25Å
14	L	75.8	Confident	68.2	Low	94 Å²	94	83.6 Å²	83.6	49%	0.492	43%	0.429	S	S	.	.	H	α-helix	trans	-61.4	-50.4	171.8	-80.2	161.5	0	0	0	111.1	G10 A16 R17 D18	G10-L14 WeakPolarHBondContact O-CB 3.32Å; G10-L14 WeakPolarHBondContact O-CG 3.09Å; G10-L14 PolarHBondContact O-N 3.38Å; L14-A16 VanDerWaalsContact C-N 3.28Å; L14-A16 PolarHBondContact O-N 2.95Å; L14-R17 CarbonylContact O-C 3.57Å; L14-R17 WeakPolarHBondContact O-CA 2.96Å; L14-R17 WeakPolarHBondContact O-CB 3Å; L14-R17 PolarHBondContact O-N 2.87Å; L14-D18 VanDerWaalsContact O-CG 3.22Å; L14-D18 PolarHBondContact O-N 3.44Å
15	K	72.7	Confident	68.5	Low	108 Å²	108	83.3 Å²	83.3	47%	0.47	43%	0.429	S	S	.	.	H	α-helix	trans	-59.1	-38.1	175.6	-82	170.2	172.8	148.2	0	112.8	E11 L12 N19	E11-K15 PolarHBondContact O-N 3.14Å; E11-K15 IonicContact OE1-NZ 2.61Å; E11-K15 PolarHBondContact OE1-NZ 2.98Å; L12-K15 PolarHBondContact O-N 3.09Å; K15-N19 VanDerWaalsContact O-CG 3.31Å; K15-N19 PolarHBondContact O-N 3.4Å; K15-N19 VanDerWaalsContact O-N 3.15Å; K15-N19 PolarHBondContact O-ND2 3.38Å
16	A	68.6	Low	68.1	Low	43 Å²	43	86.1 Å²	86.1	36%	0.355	45%	0.446	S	S	.	.	H	α-helix	trans	-65.9	-40.6	175.8	0	0	0	0	0	111.5	L12 L13 L14 L20	L12-A16 WeakPolarHBondContact O-CB 3.44Å; L12-A16 PolarHBondContact O-N 3.03Å; L13-A16 PolarHBondContact O-N 3.48Å; L14-A16 VanDerWaalsContact C-N 3.28Å; L14-A16 PolarHBondContact O-N 2.95Å; A16-L20 PolarHBondContact O-N 3.35Å
17	R	72.3	Confident	67.7	Low	141 Å²	141	87.6 Å²	87.6	53%	0.532	45%	0.445	S	S	.	.	H	α-helix	trans	-64.6	-46.5	174.3	177.2	-174.8	153.6	-162	-14.2	112	L13 L14 N19 L20 E21	L13-R17 WeakPolarHBondContact O-CB 3.13Å; L13-R17 PolarHBondContact O-N 3.25Å; L14-R17 CarbonylContact O-C 3.57Å; L14-R17 WeakPolarHBondContact O-CA 2.96Å; L14-R17 WeakPolarHBondContact O-CB 3Å; L14-R17 PolarHBondContact O-N 2.87Å; R17-N19 VanDerWaalsContact C-N 3.29Å; R17-N19 PolarHBondContact O-N 3.32Å; R17-L20 CarbonylContact O-C 3.46Å; R17-L20 WeakPolarHBondContact O-CA 3.46Å; R17-L20 VanDerWaalsContact O-CB 3.29Å; R17-L20 WeakPolarHBondContact O-CB 3.4Å; R17-L20 PolarHBondContact O-N 2.95Å; R17-E21 HydrophobicContact CG-CG 4.49Å; R17-E21 IonicContact CZ-OE1 2.97Å; R17-E21 VanDerWaalsContact CZ-OE1 3.23Å; R17-E21 IonicContact NE-OE1 3.5Å; R17-E21 PolarHBondContact NE-OE1 3.45Å; R17-E21 IonicContact NH2-OE1 2.9Å; R17-E21 PolarHBondContact NH2-OE1 3.09Å; R17-E21 PolarHBondContact O-N 3.33Å
18	D	75.6	Confident	67.2	Low	84 Å²	84	84.8 Å²	84.8	45%	0.449	44%	0.441	S	S	.	.	H	α-helix	trans	-61.1	-39.5	180	-63	-17	0	0	0	111.3	L14 L20 E21 L22	L14-D18 VanDerWaalsContact O-CG 3.22Å; L14-D18 PolarHBondContact O-N 3.44Å; D18-L20 VanDerWaalsContact C-N 3.27Å; D18-L20 PolarHBondContact O-N 3.19Å; D18-E21 PolarHBondContact O-N 2.85Å; D18-L22 WeakPolarHBondContact O-CB 3.47Å; D18-L22 PolarHBondContact O-N 3.42Å
19	N	68.6	Low	66.5	Low	75 Å²	75	88.4 Å²	88.4	40%	0.401	46%	0.463	S	S	.	.	H	α-helix	trans	-64.2	-33.1	173.7	-73	-50.4	0	0	0	112.3	K15 R17 M23	K15-N19 VanDerWaalsContact O-CG 3.31Å; K15-N19 PolarHBondContact O-N 3.4Å; K15-N19 VanDerWaalsContact O-N 3.15Å; K15-N19 PolarHBondContact O-ND2 3.38Å; R17-N19 VanDerWaalsContact C-N 3.29Å; R17-N19 PolarHBondContact O-N 3.32Å; N19-M23 PolarHBondContact O-N 2.84Å; N19-M23 VanDerWaalsContact O-N 3.16Å
20	L	66.5	Low	65.6	Low	99 Å²	99	88.3 Å²	88.3	52%	0.518	48%	0.477	S	S	.	.	H	α-helix	trans	-74.5	-39.8	176.3	-110.4	142.9	0	0	0	112	A16 R17 D18 M23 N24	A16-L20 PolarHBondContact O-N 3.35Å; R17-L20 CarbonylContact O-C 3.46Å; R17-L20 WeakPolarHBondContact O-CA 3.46Å; R17-L20 VanDerWaalsContact O-CB 3.29Å; R17-L20 WeakPolarHBondContact O-CB 3.4Å; R17-L20 PolarHBondContact O-N 2.95Å; D18-L20 VanDerWaalsContact C-N 3.27Å; D18-L20 PolarHBondContact O-N 3.19Å; L20-M23 WeakPolarHBondContact O-CB 3.23Å; L20-M23 PolarHBondContact O-N 3.17Å; L20-N24 PolarHBondContact O-N 3.1Å
21	E	70.7	Confident	64.1	Low	89 Å²	89	94.4 Å²	94.4	42%	0.416	50%	0.503	S	S	.	.	H	α-helix	trans	-66.5	-41.3	173.6	-76.9	-177.1	-169.3	0	0	111.6	R17 D18 M23 N24 M25	R17-E21 HydrophobicContact CG-CG 4.49Å; R17-E21 IonicContact CZ-OE1 2.97Å; R17-E21 VanDerWaalsContact CZ-OE1 3.23Å; R17-E21 IonicContact NE-OE1 3.5Å; R17-E21 PolarHBondContact NE-OE1 3.45Å; R17-E21 IonicContact NH2-OE1 2.9Å; R17-E21 PolarHBondContact NH2-OE1 3.09Å; R17-E21 PolarHBondContact O-N 3.33Å; D18-E21 PolarHBondContact O-N 2.85Å; E21-M23 VanDerWaalsContact C-N 3.28Å; E21-M23 PolarHBondContact O-N 3.39Å; E21-N24 PolarHBondContact O-N 3.42Å; E21-N24 VanDerWaalsContact O-N 3.1Å; E21-M25 PolarHBondContact O-N 3.15Å
22	L	66.1	Low	62.5	Low	95 Å²	95	99.9 Å²	99.9	50%	0.497	53%	0.525	S	S	.	.	H	α-helix	trans	-59.9	-39.4	173.1	-170.1	74.2	0	0	0	111.2	D18 M25 I26	D18-L22 WeakPolarHBondContact O-CB 3.47Å; D18-L22 PolarHBondContact O-N 3.42Å; L22-M25 PolarHBondContact O-N 2.77Å; L22-I26 HydrophobicContact CD2-CD1 4.4Å; L22-I26 HydrophobicContact CG-CD1 3.99Å; L22-I26 WeakPolarHBondContact O-CB 3.49Å; L22-I26 WeakPolarHBondContact O-CD1 3.4Å; L22-I26 WeakPolarHBondContact O-CG1 3.34Å; L22-I26 PolarHBondContact O-N 2.72Å
23	M	57.4	Low	61.5	Low	27 Å²	27	100.3 Å²	100.3	13%	0.133	54%	0.54	C	S	.	.	H	α-helix	trans	-58.9	-50.8	170.6	-102.2	-147.1	-49	0	0	111.3	N19 L20 E21 M25 I26 F27 L40 L41 L44	N19-M23 PolarHBondContact O-N 2.84Å; N19-M23 VanDerWaalsContact O-N 3.16Å; L20-M23 WeakPolarHBondContact O-CB 3.23Å; L20-M23 PolarHBondContact O-N 3.17Å; E21-M23 VanDerWaalsContact C-N 3.28Å; E21-M23 PolarHBondContact O-N 3.39Å; M23-M25 PolarHBondContact O-N 2.8Å; M23-I26 PolarHBondContact O-N 2.86Å; M23-I26 VanDerWaalsContact O-N 3.08Å; M23-F27 HydrophobicContact CB-CD2 4.12Å; M23-F27 HydrophobicContact CB-CE2 3.86Å; M23-F27 HydrophobicContact CE-CE2 4.39Å; M23-F27 HydrophobicContact CG-CE2 3.83Å; M23-F27 WeakPolarHBondContact O-CD2 3.49Å; M23-F27 WeakPolarHBondContact O-CG 3.46Å; M23-F27 PolarHBondContact O-N 2.85Å; M23-F27 HydrophobicContact SD-CE2 3.42Å; M23-F27 WeakPolarHBondContact SD-CE2 3.37Å; M23-F27 HydrophobicContact SD-CZ 3.89Å; M23-L40 HydrophobicContact SD-CD2 4.34Å; M23-L41 HydrophobicContact CE-CD1 4.4Å; M23-L44 HydrophobicContact CG-CD1 4.32Å; M23-L44 HydrophobicContact SD-CD1 4.25Å
24	N	62.3	Low	60.5	Low	105 Å²	105	103.1 Å²	103.1	56%	0.561	56%	0.555	S	S	*	*	H	α-helix	trans	-59.2	-36	179.5	-76.9	-20	0	0	0	112.4	L20 E21 A28	L20-N24 PolarHBondContact O-N 3.1Å; E21-N24 PolarHBondContact O-N 3.42Å; E21-N24 VanDerWaalsContact O-N 3.1Å; N24-A28 VanDerWaalsContact O-CB 3.26Å; N24-A28 WeakPolarHBondContact O-CB 3.37Å; N24-A28 PolarHBondContact O-N 3.21Å
25	M	61	Low	59.3	Low	126 Å²	126	103 Å²	103	62%	0.621	56%	0.558	S	S	*	*	H	α-helix	trans	-65.8	-47.5	171.8	-88.9	-175.3	54.9	0	0	112.5	E21 L22 M23 F27 A28 D29	E21-M25 PolarHBondContact O-N 3.15Å; L22-M25 PolarHBondContact O-N 2.77Å; M23-M25 PolarHBondContact O-N 2.8Å; M25-F27 PolarHBondContact O-N 3.03Å; M25-A28 PolarHBondContact O-N 3.11Å; M25-D29 PolarHBondContact O-N 3.02Å
26	I	57.5	Low	58.7	Low	106 Å²	106	103.5 Å²	103.5	54%	0.544	57%	0.566	S	S	.	*	H	α-helix	trans	-60.2	-35.9	178.1	-69.4	164.6	0	0	0	110.7	L22 M23	L22-I26 HydrophobicContact CD2-CD1 4.4Å; L22-I26 HydrophobicContact CG-CD1 3.99Å; L22-I26 WeakPolarHBondContact O-CB 3.49Å; L22-I26 WeakPolarHBondContact O-CD1 3.4Å; L22-I26 WeakPolarHBondContact O-CG1 3.34Å; L22-I26 PolarHBondContact O-N 2.72Å; M23-I26 PolarHBondContact O-N 2.86Å; M23-I26 VanDerWaalsContact O-N 3.08Å
27	F	56.6	Low	58.2	Low	104 Å²	104	108 Å²	108	46%	0.456	58%	0.58	S	S	.	*	H	α-helix	trans	-78.2	-31.8	176.3	-67.4	-58.3	0	0	0	113.6	M23 M25 D29	M23-F27 HydrophobicContact CB-CD2 4.12Å; M23-F27 HydrophobicContact CB-CE2 3.86Å; M23-F27 HydrophobicContact CE-CE2 4.39Å; M23-F27 HydrophobicContact CG-CE2 3.83Å; M23-F27 WeakPolarHBondContact O-CD2 3.49Å; M23-F27 WeakPolarHBondContact O-CG 3.46Å; M23-F27 PolarHBondContact O-N 2.85Å; M23-F27 HydrophobicContact SD-CE2 3.42Å; M23-F27 WeakPolarHBondContact SD-CE2 3.37Å; M23-F27 HydrophobicContact SD-CZ 3.89Å; M25-F27 PolarHBondContact O-N 3.03Å; F27-D29 VanDerWaalsContact C-N 3.35Å
28	A	65	Low	57.6	Low	81 Å²	81	105 Å²	105	67%	0.669	58%	0.58	S	S	*	*	H	α-helix	trans	-68.2	-36.1	174.3	0	0	0	0	0	111.6	N24 M25 G30	N24-A28 VanDerWaalsContact O-CB 3.26Å; N24-A28 WeakPolarHBondContact O-CB 3.37Å; N24-A28 PolarHBondContact O-N 3.21Å; M25-A28 PolarHBondContact O-N 3.11Å; A28-G30 PolarHBondContact O-N 2.76Å
29	D	51.7	Low	56.8	Low	128 Å²	128	104.3 Å²	104.3	68%	0.684	58%	0.582	S	S	*	*	S	Bend	trans	-81.4	53.9	172.9	-89.8	-9	0	0	0	112.2	M25 F27 N31	M25-D29 PolarHBondContact O-N 3.02Å; F27-D29 VanDerWaalsContact C-N 3.35Å; D29-N31 VanDerWaalsContact C-N 3.25Å; D29-N31 PolarHBondContact O-N 3.47Å
30	G	44	Very low	56.4	Low	58 Å²	58	104.1 Å²	104.1	60%	0.598	58%	0.581	S	S	*	*			trans	54.9	5.3	132.7	0	0	0	0	0	121.9	A28 K32	A28-G30 PolarHBondContact O-N 2.76Å; G30-K32 PolarHBondContact O-N 2.98Å
31	N	42.4	Very low	56	Low	158 Å²	158	104 Å²	104	85%	0.845	58%	0.58	S	S	*	*			trans	-90.1	88.6	179.5	-86.4	-23.1	0	0	0	110.9	D29 G33	D29-N31 VanDerWaalsContact C-N 3.25Å; D29-N31 PolarHBondContact O-N 3.47Å; N31-G33 PolarHBondContact O-N 2.6Å
32	K	41.1	Very low	55.7	Low	216 Å²	216	105.4 Å²	105.4	94%	0.939	59%	0.587	S	S	*	*			trans	-66.1	62.8	170.9	-69.8	-176.2	174.4	-179.3	0	112.6	G30	G30-K32 PolarHBondContact O-N 2.98Å
33	G	45.6	Very low	55.8	Low	52 Å²	52	104.3 Å²	104.3	54%	0.536	59%	0.587	S	S	.	*	S	Bend	trans	-123.6	112	169.7	0	0	0	0	0	110.1	N31 V35	N31-G33 PolarHBondContact O-N 2.6Å; G33-V35 PolarHBondContact O-N 3.29Å
34	D	48.9	Very low	55.7	Low	177 Å²	177	105.4 Å²	105.4	95%	0.947	59%	0.593	S	S	*	*			trans	-5.8	51.4	167.9	-69.9	-20.6	0	0	0	119.7	N36	D34-N36 PolarHBondContact O-N 3.39Å
35	V	51.2	Low	55.8	Low	90 Å²	90	105.3 Å²	105.3	55%	0.545	59%	0.592	S	S	.	*			trans	-81.8	104.5	162.1	-178.8	0	0	0	0	106.4	G33 E37	G33-V35 PolarHBondContact O-N 3.29Å; V35-E37 PolarHBondContact O-N 2.81Å
36	N	59.3	Low	56.2	Low	119 Å²	119	103.9 Å²	103.9	64%	0.636	59%	0.587	S	S	*	*			trans	-58.1	97.8	178.3	-164.5	-6.7	0	0	0	109.3	D34 S38 S39	D34-N36 PolarHBondContact O-N 3.39Å; N36-S38 PolarHBondContact O-N 3.34Å; N36-S39 PolarHBondContact O-N 3.17Å; N36-S39 PolarHBondContact O-OG 3.22Å
37	E	57.6	Low	56.8	Low	139 Å²	139	105 Å²	105	65%	0.65	59%	0.587	S	S	*	*	H	α-helix	trans	-48.4	-37.2	-169.3	-66.7	177.6	166.5	0	0	112.4	V35 L41	V35-E37 PolarHBondContact O-N 2.81Å; E37-L41 WeakPolarHBondContact O-CB 3.42Å; E37-L41 PolarHBondContact O-N 3.32Å
38	S	61.1	Low	57.1	Low	76 Å²	76	102 Å²	102	53%	0.531	58%	0.583	S	S	.	*	H	α-helix	trans	-63	-42.1	179.2	-175.9	0	0	0	0	113.5	N36 L40 L41 Q42	N36-S38 PolarHBondContact O-N 3.34Å; S38-L40 PolarHBondContact O-N 3.36Å; S38-L41 PolarHBondContact O-N 3.42Å; S38-Q42 WeakPolarHBondContact O-CB 3.43Å; S38-Q42 PolarHBondContact O-N 3.34Å
39	S	58.7	Low	57.1	Low	70 Å²	70	104.2 Å²	104.2	49%	0.49	58%	0.579	S	S	.	*	H	α-helix	trans	-68.8	-39.4	-174.9	70.1	0	0	0	0	112.5	N36 S43	N36-S39 PolarHBondContact O-N 3.17Å; N36-S39 PolarHBondContact O-OG 3.22Å; S39-S43 WeakPolarHBondContact O-CB 3.36Å; S39-S43 PolarHBondContact O-N 2.93Å
40	L	59.3	Low	57.9	Low	72 Å²	72	102.7 Å²	102.7	38%	0.377	57%	0.57	S	S	.	*	H	α-helix	trans	-70.5	-42.1	179	-158.6	87.8	0	0	0	110.7	M23 S38 Q42 S43 L44	M23-L40 HydrophobicContact SD-CD2 4.34Å; S38-L40 PolarHBondContact O-N 3.36Å; L40-Q42 VanDerWaalsContact C-N 3.32Å; L40-Q42 PolarHBondContact O-N 3.03Å; L40-S43 WeakPolarHBondContact O-CB 3.18Å; L40-S43 PolarHBondContact O-N 3.14Å; L40-L44 PolarHBondContact O-N 3.17Å
41	L	58.4	Low	59.1	Low	96 Å²	96	103.5 Å²	103.5	50%	0.503	56%	0.56	S	S	.	*	H	α-helix	trans	-63.3	-40.4	178.1	-157	134.5	0	0	0	111	M23 E37 S38 L44 L45	M23-L41 HydrophobicContact CE-CD1 4.4Å; E37-L41 WeakPolarHBondContact O-CB 3.42Å; E37-L41 PolarHBondContact O-N 3.32Å; S38-L41 PolarHBondContact O-N 3.42Å; L41-L44 PolarHBondContact O-N 3.43Å; L41-L45 WeakPolarHBondContact O-CB 3.48Å; L41-L45 PolarHBondContact O-N 2.9Å
42	Q	64.4	Low	60.2	Low	119 Å²	119	100.6 Å²	100.6	56%	0.556	54%	0.544	S	S	*	.	H	α-helix	trans	-68.8	-38.4	177	-162.6	146.3	4.1	0	0	112.7	S38 L40 L45 N46	S38-Q42 WeakPolarHBondContact O-CB 3.43Å; S38-Q42 PolarHBondContact O-N 3.34Å; L40-Q42 VanDerWaalsContact C-N 3.32Å; L40-Q42 PolarHBondContact O-N 3.03Å; Q42-L45 PolarHBondContact O-N 3.37Å; Q42-N46 WeakPolarHBondContact O-CB 3.16Å; Q42-N46 PolarHBondContact O-N 3.11Å; Q42-N46 PolarHBondContact O-ND2 3.45Å
43	S	67.5	Low	61.4	Low	71 Å²	71	97.3 Å²	97.3	50%	0.497	53%	0.53	S	S	.	.	H	α-helix	trans	-58.4	-47.1	171.7	168.4	0	0	0	0	112.1	S39 L40 N46 K47	S39-S43 WeakPolarHBondContact O-CB 3.36Å; S39-S43 PolarHBondContact O-N 2.93Å; L40-S43 WeakPolarHBondContact O-CB 3.18Å; L40-S43 PolarHBondContact O-N 3.14Å; S43-N46 PolarHBondContact O-N 2.74Å; S43-K47 WeakPolarHBondContact O-CB 3.17Å; S43-K47 PolarHBondContact O-N 3.43Å
44	L	56.8	Low	62.6	Low	50 Å²	50	99 Å²	99	26%	0.262	53%	0.527	S	S	.	.	H	α-helix	trans	-67.7	-40.5	178.8	-73.9	168.8	0	0	0	112.3	M23 L40 L41 N46 K47 A48	M23-L44 HydrophobicContact CG-CD1 4.32Å; M23-L44 HydrophobicContact SD-CD1 4.25Å; L40-L44 PolarHBondContact O-N 3.17Å; L41-L44 PolarHBondContact O-N 3.43Å; L44-N46 VanDerWaalsContact C-N 3.31Å; L44-N46 PolarHBondContact O-N 3.16Å; L44-K47 PolarHBondContact O-N 2.65Å; L44-A48 WeakPolarHBondContact O-CB 3.37Å; L44-A48 PolarHBondContact O-N 3.12Å
45	L	63.7	Low	63.5	Low	103 Å²	103	91.9 Å²	91.9	54%	0.539	49%	0.488	S	S	.	.	H	α-helix	trans	-62.8	-41	177.1	-152.1	121.6	0	0	0	110.9	L41 Q42 A48 H49	L41-L45 WeakPolarHBondContact O-CB 3.48Å; L41-L45 PolarHBondContact O-N 2.9Å; Q42-L45 PolarHBondContact O-N 3.37Å; L45-A48 PolarHBondContact O-N 3.02Å; L45-H49 WeakPolarHBondContact O-CB 3.38Å; L45-H49 PolarHBondContact O-N 3.03Å
46	N	69	Low	64	Low	97 Å²	97	90.1 Å²	90.1	52%	0.519	48%	0.48	S	S	.	.	H	α-helix	trans	-63.5	-41.9	173.6	-74.3	-22.3	0	0	0	112.1	Q42 S43 L44 H49 L50	Q42-N46 WeakPolarHBondContact O-CB 3.16Å; Q42-N46 PolarHBondContact O-N 3.11Å; Q42-N46 PolarHBondContact O-ND2 3.45Å; S43-N46 PolarHBondContact O-N 2.74Å; L44-N46 VanDerWaalsContact C-N 3.31Å; L44-N46 PolarHBondContact O-N 3.16Å; N46-H49 PolarHBondContact O-N 2.85Å; N46-L50 WeakPolarHBondContact O-CB 3.33Å; N46-L50 PolarHBondContact O-N 3.29Å
47	K	70.9	Confident	64.1	Low	128 Å²	128	90.4 Å²	90.4	56%	0.557	48%	0.477	S	S	*	.	H	α-helix	trans	-65.4	-41.6	177.1	-165.2	176	-176.1	-179.5	0	111.9	S43 L44 L50 N51	S43-K47 WeakPolarHBondContact O-CB 3.17Å; S43-K47 PolarHBondContact O-N 3.43Å; L44-K47 PolarHBondContact O-N 2.65Å; K47-L50 PolarHBondContact O-N 3.17Å; K47-N51 WeakPolarHBondContact O-CB 3.48Å; K47-N51 VanDerWaalsContact O-CG 3.28Å; K47-N51 PolarHBondContact O-N 3.47Å; K47-N51 PolarHBondContact O-ND2 3.37Å
48	A	63.4	Low	64.5	Low	43 Å²	43	88.2 Å²	88.2	36%	0.355	47%	0.467	S	S	.	.	H	α-helix	trans	-62.8	-45.2	174.3	0	0	0	0	0	111.3	L44 L45 L50 N51 I52	L44-A48 WeakPolarHBondContact O-CB 3.37Å; L44-A48 PolarHBondContact O-N 3.12Å; L45-A48 PolarHBondContact O-N 3.02Å; A48-L50 VanDerWaalsContact C-N 3.32Å; A48-L50 PolarHBondContact O-N 3.14Å; A48-N51 PolarHBondContact O-N 2.86Å; A48-I52 WeakPolarHBondContact O-CG1 3.46Å; A48-I52 PolarHBondContact O-N 2.95Å
49	H	63.8	Low	64.6	Low	127 Å²	127	85.1 Å²	85.1	59%	0.588	45%	0.445	S	S	*	.	H	α-helix	trans	-59.7	-43.1	176.3	-125.6	134.3	0	0	0	112	L45 N46 I52 K53	L45-H49 WeakPolarHBondContact O-CB 3.38Å; L45-H49 PolarHBondContact O-N 3.03Å; N46-H49 PolarHBondContact O-N 2.85Å; H49-I52 PolarHBondContact O-N 2.92Å; H49-K53 WeakPolarHBondContact O-CB 3.32Å; H49-K53 PolarHBondContact O-N 2.86Å
50	L	68.7	Low	64.5	Low	96 Å²	96	84.1 Å²	84.1	50%	0.503	44%	0.44	S	S	.	.	H	α-helix	trans	-64.9	-42.5	178.4	-170.6	67.8	0	0	0	111.6	N46 K47 A48 K53 N54	N46-L50 WeakPolarHBondContact O-CB 3.33Å; N46-L50 PolarHBondContact O-N 3.29Å; K47-L50 PolarHBondContact O-N 3.17Å; A48-L50 VanDerWaalsContact C-N 3.32Å; A48-L50 PolarHBondContact O-N 3.14Å; L50-K53 PolarHBondContact O-N 3.05Å; L50-N54 WeakPolarHBondContact O-CB 3.45Å; L50-N54 VanDerWaalsContact O-CG 3.29Å; L50-N54 PolarHBondContact O-N 3.24Å; L50-N54 PolarHBondContact O-ND2 3.03Å
51	N	70.4	Confident	64.4	Low	74 Å²	74	84.4 Å²	84.4	40%	0.396	44%	0.442	S	S	.	.	H	α-helix	trans	-64.1	-42.4	177.4	-74.5	-16.8	0	0	0	112.1	L12 K47 A48 K53 N54 L55	L12-N51 HydrophobicContact CD2-CB 4.22Å; K47-N51 WeakPolarHBondContact O-CB 3.48Å; K47-N51 VanDerWaalsContact O-CG 3.28Å; K47-N51 PolarHBondContact O-N 3.47Å; K47-N51 PolarHBondContact O-ND2 3.37Å; A48-N51 PolarHBondContact O-N 2.86Å; N51-K53 VanDerWaalsContact C-N 3.34Å; N51-K53 PolarHBondContact O-N 3.29Å; N51-N54 PolarHBondContact O-N 2.58Å; N51-L55 WeakPolarHBondContact O-CB 3.38Å; N51-L55 PolarHBondContact O-N 3.29Å
52	I	64.5	Low	64.4	Low	98 Å²	98	84.1 Å²	84.1	50%	0.503	44%	0.436	S	S	.	.	H	α-helix	trans	-61.8	-44.1	175	-68.5	167.1	0	0	0	110.4	L12 A48 H49 L55 S56	L12-I52 HydrophobicContact CD1-CG1 4.27Å; A48-I52 WeakPolarHBondContact O-CG1 3.46Å; A48-I52 PolarHBondContact O-N 2.95Å; H49-I52 PolarHBondContact O-N 2.92Å; I52-L55 PolarHBondContact O-N 2.92Å; I52-S56 WeakPolarHBondContact O-CB 3.37Å; I52-S56 PolarHBondContact O-N 2.84Å
53	K	65.4	Low	63.9	Low	146 Å²	146	79.9 Å²	79.9	64%	0.635	42%	0.422	S	S	*	.	H	α-helix	trans	-62.1	-45.5	178.1	-169.9	177.4	-180	179.5	0	111.5	H49 L50 N51 S56 H57	H49-K53 WeakPolarHBondContact O-CB 3.32Å; H49-K53 PolarHBondContact O-N 2.86Å; L50-K53 PolarHBondContact O-N 3.05Å; N51-K53 VanDerWaalsContact C-N 3.34Å; N51-K53 PolarHBondContact O-N 3.29Å; K53-S56 PolarHBondContact O-N 3.31Å; K53-S56 PolarHBondContact O-OG 3.15Å; K53-H57 PolarHBondContact O-N 3.46Å; K53-H57 VanDerWaalsContact O-N 3.11Å
54	N	71.3	Confident	63	Low	89 Å²	89	79.7 Å²	79.7	48%	0.476	42%	0.418	S	S	.	.	H	α-helix	trans	-64.6	-44	178.5	-71.5	-17.4	0	0	0	111.9	L50 N51 S56 H57 E58	L50-N54 WeakPolarHBondContact O-CB 3.45Å; L50-N54 VanDerWaalsContact O-CG 3.29Å; L50-N54 PolarHBondContact O-N 3.24Å; L50-N54 PolarHBondContact O-ND2 3.03Å; N51-N54 PolarHBondContact O-N 2.58Å; N54-S56 VanDerWaalsContact C-N 3.34Å; N54-S56 PolarHBondContact O-N 3.14Å; N54-H57 WeakPolarHBondContact O-CB 3.44Å; N54-H57 PolarHBondContact O-N 3.1Å; N54-E58 PolarHBondContact O-N 3.41Å
55	L	67.8	Low	62.7	Low	27 Å²	27	83.6 Å²	83.6	14%	0.141	44%	0.435	C	S	.	.	H	α-helix	trans	-64.1	-40.3	176.7	-169.8	74.9	0	0	0	111.6	K8 L12 N51 I52 H57 E58 L59	K8-L55 HydrophobicContact CB-CD2 4.33Å; K8-L55 HydrophobicContact CD-CD1 4.22Å; L12-L55 HydrophobicContact CD1-CB 4.13Å; L12-L55 HydrophobicContact CD1-CD2 3.24Å; L12-L55 HydrophobicContact CD1-CG 4.27Å; L12-L55 HydrophobicContact CG-CD2 3.93Å; N51-L55 WeakPolarHBondContact O-CB 3.38Å; N51-L55 PolarHBondContact O-N 3.29Å; I52-L55 PolarHBondContact O-N 2.92Å; L55-H57 PolarHBondContact O-N 3.35Å; L55-E58 PolarHBondContact O-N 2.8Å; L55-L59 HydrophobicContact CD2-CD1 4.18Å; L55-L59 HydrophobicContact CG-CD1 4Å; L55-L59 HydrophobicContact CG-CG 4.26Å; L55-L59 WeakPolarHBondContact O-CB 3.37Å; L55-L59 WeakPolarHBondContact O-CG 3.16Å; L55-L59 PolarHBondContact O-N 2.89Å
56	S	62	Low	62.1	Low	53 Å²	53	84.5 Å²	84.5	37%	0.371	44%	0.436	S	S	.	.	H	α-helix	trans	-60.3	-36.3	176.4	76.5	0	0	0	0	112.1	I52 K53 N54 A60	I52-S56 WeakPolarHBondContact O-CB 3.37Å; I52-S56 PolarHBondContact O-N 2.84Å; K53-S56 PolarHBondContact O-N 3.31Å; K53-S56 PolarHBondContact O-OG 3.15Å; N54-S56 VanDerWaalsContact C-N 3.34Å; N54-S56 PolarHBondContact O-N 3.14Å; S56-A60 VanDerWaalsContact O-CB 3.31Å; S56-A60 WeakPolarHBondContact O-CB 3.42Å; S56-A60 PolarHBondContact O-N 3.19Å
57	H	60.9	Low	61.1	Low	124 Å²	124	87 Å²	87	57%	0.574	45%	0.445	S	S	*	.	H	α-helix	trans	-73	-42.9	177.1	-169.8	-90.7	0	0	0	111.9	K53 N54 L55 A60 L61	K53-H57 PolarHBondContact O-N 3.46Å; K53-H57 VanDerWaalsContact O-N 3.11Å; N54-H57 WeakPolarHBondContact O-CB 3.44Å; N54-H57 PolarHBondContact O-N 3.1Å; L55-H57 PolarHBondContact O-N 3.35Å; H57-A60 PolarHBondContact O-N 3.33Å; H57-L61 WeakPolarHBondContact O-CG 3.17Å; H57-L61 PolarHBondContact O-N 3.27Å
58	E	66.9	Low	59.4	Low	93 Å²	93	86.9 Å²	86.9	44%	0.435	44%	0.444	S	S	.	.	H	α-helix	trans	-63.6	-42.9	175.9	-165.7	-158	132.2	0	0	111.8	K8 N54 L55 L61 K62	K8-E58 IonicContact NZ-OE1 2.81Å; K8-E58 PolarHBondContact NZ-OE1 2.96Å; N54-E58 PolarHBondContact O-N 3.41Å; L55-E58 PolarHBondContact O-N 2.8Å; E58-L61 WeakPolarHBondContact O-CB 3.29Å; E58-L61 PolarHBondContact O-N 2.85Å; E58-K62 PolarHBondContact O-N 3.34Å
59	L	62	Low	58	Low	12 Å²	12	89.8 Å²	89.8	6%	0.063	46%	0.462	C	S	.	.	H	α-helix	trans	-66.4	-37.1	175.8	-74.1	175.4	0	0	0	112.2	Y5 K8 L55 L61 K62 A63	Y5-L59 HydrophobicContact CD1-CD2 3.95Å; Y5-L59 HydrophobicContact CD2-CD1 4.3Å; Y5-L59 HydrophobicContact CD2-CD2 3.83Å; Y5-L59 HydrophobicContact CE1-CD2 4.21Å; Y5-L59 HydrophobicContact CE2-CD2 4.09Å; Y5-L59 HydrophobicContact CG-CD2 3.75Å; K8-L59 HydrophobicContact CD-CD2 3.67Å; K8-L59 HydrophobicContact CD-CG 4.45Å; L55-L59 HydrophobicContact CD2-CD1 4.18Å; L55-L59 HydrophobicContact CG-CD1 4Å; L55-L59 HydrophobicContact CG-CG 4.26Å; L55-L59 WeakPolarHBondContact O-CB 3.37Å; L55-L59 WeakPolarHBondContact O-CG 3.16Å; L55-L59 PolarHBondContact O-N 2.89Å; L59-L61 VanDerWaalsContact C-N 3.31Å; L59-K62 PolarHBondContact O-N 3.35Å; L59-A63 VanDerWaalsContact O-CB 3.32Å; L59-A63 WeakPolarHBondContact O-CB 3.04Å; L59-A63 PolarHBondContact O-N 3.29Å
60	A	57.3	Low	56.9	Low	48 Å²	48	89.4 Å²	89.4	40%	0.397	47%	0.471	S	S	.	.	H	α-helix	trans	-62.6	-40.1	172.6	0	0	0	0	0	111.4	S56 H57 T64	S56-A60 VanDerWaalsContact O-CB 3.31Å; S56-A60 WeakPolarHBondContact O-CB 3.42Å; S56-A60 PolarHBondContact O-N 3.19Å; H57-A60 PolarHBondContact O-N 3.33Å; A60-T64 WeakPolarHBondContact O-CG2 3.2Å; A60-T64 PolarHBondContact O-N 3.37Å; A60-T64 VanDerWaalsContact O-N 3.11Å; A60-T64 PolarHBondContact O-OG1 3.08Å
61	L	57.6	Low	55.3	Low	79 Å²	79	89.2 Å²	89.2	41%	0.414	48%	0.483	S	S	.	.	H	α-helix	trans	-64.5	-47.4	174.1	-76.1	166.7	0	0	0	111.6	H57 E58 L59 A63 T64 E65	H57-L61 WeakPolarHBondContact O-CG 3.17Å; H57-L61 PolarHBondContact O-N 3.27Å; E58-L61 WeakPolarHBondContact O-CB 3.29Å; E58-L61 PolarHBondContact O-N 2.85Å; L59-L61 VanDerWaalsContact C-N 3.31Å; L61-A63 PolarHBondContact O-N 3.31Å; L61-T64 WeakPolarHBondContact CA-OG1 3.44Å; L61-T64 CarbonylContact O-C 3.56Å; L61-T64 WeakPolarHBondContact O-CA 3.48Å; L61-T64 PolarHBondContact O-N 2.91Å; L61-T64 PolarHBondContact O-OG1 3.39Å; L61-E65 WeakPolarHBondContact O-CG 3.13Å; L61-E65 PolarHBondContact O-N 3.18Å
62	K	57.5	Low	53.7	Low	89 Å²	89	94 Å²	94	39%	0.387	50%	0.503	S	S	.	.	H	α-helix	trans	-63.3	-42.1	179.2	-122.8	-177.1	-179.4	-171.1	0	112.9	E58 L59 T64 E65 E66	E58-K62 PolarHBondContact O-N 3.34Å; L59-K62 PolarHBondContact O-N 3.35Å; K62-T64 PolarHBondContact O-N 3.2Å; K62-E65 PolarHBondContact O-N 2.86Å; K62-E66 PolarHBondContact O-N 2.93Å
63	A	55.3	Low	52.5	Low	31 Å²	31	94.9 Å²	94.9	26%	0.256	51%	0.507	S	S	.	.	H	α-helix	trans	-62.5	-31.9	173.6	0	0	0	0	0	112	L59 L61 E65 H67	L59-A63 VanDerWaalsContact O-CB 3.32Å; L59-A63 WeakPolarHBondContact O-CB 3.04Å; L59-A63 PolarHBondContact O-N 3.29Å; L61-A63 PolarHBondContact O-N 3.31Å; A63-E65 VanDerWaalsContact C-N 3.35Å; A63-H67 WeakPolarHBondContact O-CB 3.48Å; A63-H67 PolarHBondContact O-CD2 2.97Å; A63-H67 PolarHBondContact O-N 3.03Å
64	T	48.5	Very low	51.2	Low	67 Å²	67	91.5 Å²	91.5	41%	0.411	51%	0.507	S	S	.	.	H	α-helix	trans	-78.1	-14.8	171.3	56.2	0	0	0	0	114.3	A60 L61 K62 F68	A60-T64 WeakPolarHBondContact O-CG2 3.2Å; A60-T64 PolarHBondContact O-N 3.37Å; A60-T64 VanDerWaalsContact O-N 3.11Å; A60-T64 PolarHBondContact O-OG1 3.08Å; L61-T64 WeakPolarHBondContact CA-OG1 3.44Å; L61-T64 CarbonylContact O-C 3.56Å; L61-T64 WeakPolarHBondContact O-CA 3.48Å; L61-T64 PolarHBondContact O-N 2.91Å; L61-T64 PolarHBondContact O-OG1 3.39Å; K62-T64 PolarHBondContact O-N 3.2Å; T64-F68 WeakPolarHBondContact O-CD2 3.31Å
65	E	49.7	Very low	49.7	Very low	131 Å²	131	93.3 Å²	93.3	61%	0.612	52%	0.517	S	S	*	.	H	α-helix	trans	-89.7	-44.5	173.8	-73.3	173.6	175	0	0	110.7	L61 K62 A63 H67 F68	L61-E65 WeakPolarHBondContact O-CG 3.13Å; L61-E65 PolarHBondContact O-N 3.18Å; K62-E65 PolarHBondContact O-N 2.86Å; A63-E65 VanDerWaalsContact C-N 3.35Å; E65-H67 VanDerWaalsContact C-N 3.3Å; E65-H67 PolarHBondContact O-N 3.11Å; E65-F68 CarbonylContact O-C 3.45Å; E65-F68 PolarHBondContact O-N 3.37Å; E65-F68 VanDerWaalsContact O-N 3.15Å
66	E	51.2	Low	48.3	Very low	123 Å²	123	96.9 Å²	96.9	58%	0.575	54%	0.536	S	S	*	.	H	α-helix	trans	-65.2	-30.2	179	-76	175.7	175.4	0	0	113	Y5 K62 F68	Y5-E66 PolarHBondContact OH-OE2 2.86Å; K62-E66 PolarHBondContact O-N 2.93Å; E66-F68 VanDerWaalsContact C-N 3.35Å
67	H	47.3	Very low	47.2	Very low	149 Å²	149	99.1 Å²	99.1	69%	0.69	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	4.7	176.3	-72.7	-35.6	0	0	0	114.8	A63 E65	A63-H67 WeakPolarHBondContact O-CB 3.48Å; A63-H67 PolarHBondContact O-CD2 2.97Å; A63-H67 PolarHBondContact O-N 3.03Å; E65-H67 VanDerWaalsContact C-N 3.3Å; E65-H67 PolarHBondContact O-N 3.11Å
68	F	35.6	Very low	46	Very low	126 Å²	126	99.4 Å²	99.4	55%	0.553	55%	0.548	S	S	*	.			trans	-134.6	84.4	-180	-70.3	-90.4	0	0	0	110.4	T64 E65 E66 P70	T64-F68 WeakPolarHBondContact O-CD2 3.31Å; E65-F68 CarbonylContact O-C 3.45Å; E65-F68 PolarHBondContact O-N 3.37Å; E65-F68 VanDerWaalsContact O-N 3.15Å; E66-F68 VanDerWaalsContact C-N 3.35Å; F68-P70 VanDerWaalsContact O-CD 3.29Å; F68-P70 WeakPolarHBondContact O-CD 3.46Å
69	S	34	Very low	44.8	Very low	104 Å²	104	104.5 Å²	104.5	73%	0.727	56%	0.563	S	S	*	*			trans	-63.1	121.4	169.9	64.7	0	0	0	0	110	A71	S69-A71 VanDerWaalsContact C-N 3.26Å; S69-A71 PolarHBondContact O-N 3.16Å
70	P	40.7	Very low	43.5	Very low	118 Å²	118	110.9 Å²	110.9	77%	0.766	59%	0.59	S	S	*	*			trans	-77.9	4.4	-174.2	-15.5	30.8	0	0	0	115.9	F68 E72	F68-P70 VanDerWaalsContact O-CD 3.29Å; F68-P70 WeakPolarHBondContact O-CD 3.46Å; P70-E72 PolarHBondContact O-N 3.2Å
71	A	34.6	Very low	42.5	Very low	92 Å²	92	113.5 Å²	113.5	76%	0.76	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.4	-7.6	-157.3	0	0	0	0	0	117.3	S69	S69-A71 VanDerWaalsContact C-N 3.26Å; S69-A71 PolarHBondContact O-N 3.16Å
72	E	37.6	Very low	41.4	Very low	175 Å²	175	115.3 Å²	115.3	82%	0.818	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.2	6.7	-177.7	-71.6	-172.2	163	0	0	115.4	P70	P70-E72 PolarHBondContact O-N 3.2Å
73	I	38.8	Very low	40.5	Very low	116 Å²	116	120.9 Å²	120.9	60%	0.595	63%	0.627	S	S	*	*	S	Bend	trans	-95.3	-13.6	-172.1	-62	176.6	0	0	0	113.5	I77	I73-I77 HydrophobicContact CG2-CD1 3.81Å; I73-I77 HydrophobicContact CG2-CG1 4.36Å; I73-I77 WeakPolarHBondContact O-CD1 3.17Å; I73-I77 WeakPolarHBondContact O-CG1 3.5Å
74	A	39.5	Very low	39.5	Very low	76 Å²	76	122.4 Å²	122.4	63%	0.628	64%	0.635	S	S	*	*	H	α-helix	trans	-71.2	-41.5	-174.2	0	0	0	0	0	113.6
75	D	38.2	Very low	38.8	Very low	127 Å²	127	125.7 Å²	125.7	68%	0.679	65%	0.649	S	S	*	*	H	α-helix	trans	-79.6	-25.6	-172.7	-81.5	-16.3	0	0	0	114.2
76	D	39.9	Very low	37.9	Very low	102 Å²	102	126.1 Å²	126.1	55%	0.545	65%	0.654	S	S	.	*	H	α-helix	trans	-75.5	-25.6	178.1	-88.1	-14.1	0	0	0	113	L78 R79 F80	D76-L78 VanDerWaalsContact C-N 3.34Å; D76-L78 PolarHBondContact O-N 3.39Å; D76-R79 PolarHBondContact O-N 3.44Å; D76-F80 WeakPolarHBondContact O-CB 3.48Å; D76-F80 PolarHBondContact O-N 2.95Å
77	I	37.1	Very low	37.2	Very low	100 Å²	100	123.6 Å²	123.6	51%	0.513	66%	0.655	S	S	.	*	H	α-helix	trans	-69.6	-33.6	-179	-69.3	173.4	0	0	0	111.5	I73	I73-I77 HydrophobicContact CG2-CD1 3.81Å; I73-I77 HydrophobicContact CG2-CG1 4.36Å; I73-I77 WeakPolarHBondContact O-CD1 3.17Å; I73-I77 WeakPolarHBondContact O-CG1 3.5Å
78	L	36.6	Very low	36.4	Very low	129 Å²	129	125 Å²	125	68%	0.675	66%	0.662	S	S	*	*	H	α-helix	trans	-73.5	-41.1	177.8	-81.9	162	0	0	0	111.7	D76 F80	D76-L78 VanDerWaalsContact C-N 3.34Å; D76-L78 PolarHBondContact O-N 3.39Å; L78-F80 VanDerWaalsContact C-N 3.33Å; L78-F80 PolarHBondContact O-N 2.92Å
79	R	41.6	Very low	36.2	Very low	201 Å²	201	130.4 Å²	130.4	76%	0.758	68%	0.678	S	S	*	*	H	α-helix	trans	-71	-25.2	179.1	-66.1	-167.7	-163.9	-159.3	6.2	113.8	D76	D76-R79 PolarHBondContact O-N 3.44Å
80	F	35.1	Very low	36	Very low	145 Å²	145	129.5 Å²	129.5	64%	0.636	67%	0.672	S	S	*	*	H	α-helix	trans	-76.9	-29.6	-177.9	-156.9	-94.7	0	0	0	113.5	D76 L78 C84	D76-F80 WeakPolarHBondContact O-CB 3.48Å; D76-F80 PolarHBondContact O-N 2.95Å; L78-F80 VanDerWaalsContact C-N 3.33Å; L78-F80 PolarHBondContact O-N 2.92Å; F80-C84 VanDerWaalsContact CE1-SG 3.55Å; F80-C84 PolarHBondContact O-N 3.18Å
81	N	36.4	Very low	35.5	Very low	103 Å²	103	133.5 Å²	133.5	55%	0.551	68%	0.678	S	S	*	*	H	α-helix	trans	-69.1	-35.9	-179.4	-84.3	-22.2	0	0	0	112.9
82	D	34.6	Very low	34.9	Very low	118 Å²	118	136.2 Å²	136.2	63%	0.631	68%	0.684	S	S	*	*	H	α-helix	trans	-72.1	-33.9	-179	-74.6	-18.5	0	0	0	113
83	R	38.9	Very low	34.3	Very low	206 Å²	206	132.8 Å²	132.8	78%	0.777	68%	0.68	S	S	*	*	H	α-helix	trans	-73.5	-31.5	178.8	-79.7	-172.6	175.1	-175.4	-0.2	113.6	A87	R83-A87 PolarHBondContact O-N 3.47Å
84	C	33.7	Very low	33.5	Very low	63 Å²	63	136.2 Å²	136.2	43%	0.426	69%	0.691	S	S	.	*	H	α-helix	trans	-72.4	-29.5	-179.6	-81.4	0	0	0	0	113.4	F80	F80-C84 VanDerWaalsContact CE1-SG 3.55Å; F80-C84 PolarHBondContact O-N 3.18Å
85	L	32.7	Very low	32.9	Very low	136 Å²	136	142 Å²	142	71%	0.712	70%	0.704	S	S	*	*	H	α-helix	trans	-74.3	-30.8	178.2	-80.8	165.5	0	0	0	113
86	L	32.8	Very low	32.1	Very low	139 Å²	139	146.8 Å²	146.8	73%	0.728	71%	0.713	S	S	*	*	H	α-helix	trans	-80.5	-33.6	179.4	-77.5	161.9	0	0	0	113.3	Q88	L86-Q88 VanDerWaalsContact C-N 3.34Å; L86-Q88 PolarHBondContact O-N 3.12Å
87	A	35.5	Very low	31.4	Very low	71 Å²	71	147.6 Å²	147.6	59%	0.587	73%	0.727	S	S	*	*	H	α-helix	trans	-73.1	-19.3	-175.3	0	0	0	0	0	114.6	R83 R89	R83-A87 PolarHBondContact O-N 3.47Å; A87-R89 PolarHBondContact O-N 2.91Å
88	Q	31.5	Very low	30.8	Very low	177 Å²	177	152 Å²	152	83%	0.827	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.9	-6.9	-177.7	-75.9	-169.8	-11.9	0	0	114.8	L86	L86-Q88 VanDerWaalsContact C-N 3.34Å; L86-Q88 PolarHBondContact O-N 3.12Å
89	R	29.9	Very low	30.1	Very low	240 Å²	240	153 Å²	153	91%	0.906	75%	0.751	S	S	*	*	S	Bend	trans	-96.4	-12.4	-179.6	-77.1	-172.4	174.5	-177.3	-0	115.3	A87	A87-R89 PolarHBondContact O-N 2.91Å
90	S	30.4	Very low	29.3	Very low	85 Å²	85	153 Å²	153	59%	0.594	76%	0.756	S	S	*	*	S	Bend	trans	-125	79.7	-175.3	52.2	0	0	0	0	112.1
91	K	29.3	Very low	28.7	Very low	203 Å²	203	154.5 Å²	154.5	88%	0.883	77%	0.766	S	S	*	*			trans	178.9	73.9	155.2	-99.1	157.7	-170.2	-170.3	0	110.5
92	V	23.7	Very low	28	Very low	149 Å²	149	156.5 Å²	156.5	90%	0.903	78%	0.775	S	S	*	*			trans	-139.6	84.4	163.3	-172.6	0	0	0	0	108.4
93	S	24.2	Very low	27.4	Very low	103 Å²	103	157.9 Å²	157.9	72%	0.72	78%	0.782	S	S	*	*			trans	-155.1	97.3	165.9	48.9	0	0	0	0	106.7
94	F	22.8	Very low	26.6	Very low	188 Å²	188	154.8 Å²	154.8	83%	0.825	78%	0.781	S	S	*	*				74.3	106.8	112.1	-96.2	-80.5	0	0	0	113.4
95	E	25.8	Very low	26	Very low	196 Å²	196	159 Å²	159	92%	0.916	80%	0.799	S	S	*	*			trans	-149.3	135.5	135.8	-110.8	169.5	-157.9	0	0	108.5
96	R	21.8	Very low	25.6	Very low	228 Å²	228	158.2 Å²	158.2	86%	0.86	80%	0.8	S	S	*	*			trans	-116.8	103	-156	-172.6	-175.1	-168.1	-179.1	0.5	105.5
97	S	24.8	Very low	25.2	Very low	119 Å²	119	161.1 Å²	161.1	83%	0.832	81%	0.806	S	S	*	*			trans	-107.2	139.7	175	51.8	0	0	0	0	110.8
98	E	24.1	Very low	24.6	Very low	193 Å²	193	166.7 Å²	166.7	90%	0.902	82%	0.82	S	S	*	*			trans	-77	156.8	-154.5	-68.5	174.4	140.9	0	0	115.2
99	N	23.2	Very low	24.3	Very low	149 Å²	149	165.4 Å²	165.4	80%	0.797	82%	0.819	S	S	*	*			trans	-68.3	127.9	-172.7	-62.9	-49.6	0	0	0	112.6
100	K	23.6	Very low	24.1	Very low	201 Å²	201	157.4 Å²	157.4	87%	0.874	81%	0.812	S	S	*	*			trans	-111.8	98.7	147.4	-80.9	-173.4	176.4	-179.9	0	108.3	I102	K100-I102 PolarHBondContact O-N 2.91Å
101	Q	22.8	Very low	23.7	Very low	178 Å²	178	162.1 Å²	162.1	83%	0.832	82%	0.824	S	S	*	*			trans	-65.5	112.1	173.2	-78.3	172.7	-29.3	0	0	109.2
102	I	22.2	Very low	23.5	Very low	145 Å²	145	160.1 Å²	160.1	74%	0.744	82%	0.822	S	S	*	*			trans	-101.3	108.5	165.1	-62.3	175.7	0	0	0	106.4	K100 L104	K100-I102 PolarHBondContact O-N 2.91Å; I102-L104 PolarHBondContact O-N 2.85Å
103	N	21.7	Very low	23.6	Very low	147 Å²	147	160.2 Å²	160.2	79%	0.786	82%	0.817	S	S	*	*			trans	-64.3	105.6	174	-93.2	-29.1	0	0	0	110
104	L	23	Very low	23.8	Very low	141 Å²	141	159.8 Å²	159.8	74%	0.738	82%	0.819	S	S	*	*			trans	-105.5	87.5	165.2	-75.8	165.6	0	0	0	108.5	I102 T106	I102-L104 PolarHBondContact O-N 2.85Å; L104-T106 PolarHBondContact O-N 2.89Å
105	N	20.8	Very low	24.1	Very low	152 Å²	152	156.6 Å²	156.6	81%	0.813	82%	0.815	S	S	*	*			trans	-78.1	85.9	163.7	-87.7	-19.6	0	0	0	108.6
106	T	23.9	Very low	24.3	Very low	119 Å²	119	153.9 Å²	153.9	73%	0.73	81%	0.807	S	S	*	*			trans	-94.9	101.5	164.6	39.3	0	0	0	0	108.4	L104 E108	L104-T106 PolarHBondContact O-N 2.89Å; T106-E108 PolarHBondContact O-N 3.1Å
107	K	24.1	Very low	24.8	Very low	199 Å²	199	147.1 Å²	147.1	87%	0.865	79%	0.787	S	S	*	*			trans	-61.9	111.8	169.2	-78	-179.6	173.4	179.3	0	108.9	N109	K107-N109 PolarHBondContact O-N 2.97Å; K107-N109 VanDerWaalsContact O-N 3.15Å
108	E	23.6	Very low	25.2	Very low	189 Å²	189	150.1 Å²	150.1	88%	0.883	78%	0.782	S	S	*	*			trans	-69.8	95.9	167.3	-71.3	176.6	157.5	0	0	109.2	T106	T106-E108 PolarHBondContact O-N 3.1Å
109	N	24.8	Very low	26.1	Very low	149 Å²	149	146.1 Å²	146.1	80%	0.797	77%	0.773	S	S	*	*			trans	-108.1	82.1	156.7	-80.9	-4.3	0	0	0	106.8	K107 Q111	K107-N109 PolarHBondContact O-N 2.97Å; K107-N109 VanDerWaalsContact O-N 3.15Å; N109-Q111 VanDerWaalsContact C-N 3.34Å; N109-Q111 PolarHBondContact O-N 3.14Å
110	G	24.7	Very low	27.1	Very low	73 Å²	73	141.1 Å²	141.1	75%	0.753	75%	0.745	S	S	*	*			trans	-67.4	94	168.4	0	0	0	0	0	109	I112	G110-I112 PolarHBondContact O-N 3.28Å
111	Q	23.4	Very low	28.2	Very low	184 Å²	184	140.1 Å²	140.1	86%	0.86	74%	0.741	S	S	*	*			trans	-66.3	112.2	160.3	-88.8	176.2	-32	0	0	106.9	N109 D113	N109-Q111 VanDerWaalsContact C-N 3.34Å; N109-Q111 PolarHBondContact O-N 3.14Å; Q111-D113 PolarHBondContact O-N 3.02Å
112	I	25.4	Very low	29.4	Very low	161 Å²	161	140.4 Å²	140.4	83%	0.826	74%	0.742	S	S	*	*			trans	-60.3	115.8	168.3	-64.1	166.7	0	0	0	106	G110 A114	G110-I112 PolarHBondContact O-N 3.28Å; I112-A114 PolarHBondContact O-N 3.39Å; I112-A114 VanDerWaalsContact O-N 3.1Å
113	D	25.8	Very low	30.8	Very low	151 Å²	151	135.3 Å²	135.3	81%	0.807	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-51.5	117.4	176.7	-73.3	-43.2	0	0	0	109.2	Q111 V115	Q111-D113 PolarHBondContact O-N 3.02Å; D113-V115 PolarHBondContact O-N 3.01Å
114	A	27.7	Very low	32.9	Very low	93 Å²	93	130.9 Å²	130.9	77%	0.769	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-60.8	121.2	-179.8	0	0	0	0	0	108.9	I112 D116	I112-A114 PolarHBondContact O-N 3.39Å; I112-A114 VanDerWaalsContact O-N 3.1Å; A114-D116 PolarHBondContact O-N 2.93Å; A114-D116 VanDerWaalsContact O-N 3.1Å
115	V	29.7	Very low	34.7	Very low	122 Å²	122	129.6 Å²	129.6	74%	0.739	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-51.2	117	170.3	176.7	0	0	0	0	108.3	D113 L117	D113-V115 PolarHBondContact O-N 3.01Å; V115-L117 VanDerWaalsContact C-N 3.31Å; V115-L117 HydrophobicContact CG1-CG 4.48Å; V115-L117 PolarHBondContact O-N 3.41Å
116	D	28.3	Very low	36.5	Very low	139 Å²	139	124.6 Å²	124.6	74%	0.743	68%	0.681	S	S	*	*			trans	-66.5	87.1	178.8	-116.1	-20.8	0	0	0	109.8	A114 Y118	A114-D116 PolarHBondContact O-N 2.93Å; A114-D116 VanDerWaalsContact O-N 3.1Å; D116-Y118 VanDerWaalsContact C-N 3.28Å; D116-Y118 HydrophobicContact CB-CD2 4.31Å; D116-Y118 PolarHBondContact O-N 3.21Å
117	L	33.2	Very low	38.1	Very low	85 Å²	85	123 Å²	123	45%	0.445	67%	0.665	S	S	.	*			trans	-76.7	74.7	176	-76.8	157.7	0	0	0	110.2	V115 P119 L120 M1061	V115-L117 VanDerWaalsContact C-N 3.31Å; V115-L117 HydrophobicContact CG1-CG 4.48Å; V115-L117 PolarHBondContact O-N 3.41Å; L117-P119 VanDerWaalsContact C-N 3.32Å; L117-L120 HydrophobicContact CB-CD1 3.86Å; L117-L120 HydrophobicContact CB-CG 4.48Å; L117-L120 HydrophobicContact CD1-CD1 4.12Å; L117-L120 HydrophobicContact CG-CD1 4.48Å; L117-M1061 HydrophobicContact CD2-CE 4.15Å
118	Y	34.2	Very low	39.6	Very low	183 Å²	183	118.4 Å²	118.4	72%	0.718	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81	76.2	163.7	-87	-100.4	0	0	0	108.5	D116	D116-Y118 VanDerWaalsContact C-N 3.28Å; D116-Y118 HydrophobicContact CB-CD2 4.31Å; D116-Y118 PolarHBondContact O-N 3.21Å
119	P	42.6	Very low	41.3	Very low	109 Å²	109	115.4 Å²	115.4	71%	0.708	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn		-154.2	84	94.5	36.1	-13.9	0	0	0	113	L117	L117-P119 VanDerWaalsContact C-N 3.32Å
120	L	42.8	Very low	42.9	Very low	43 Å²	43	116 Å²	116	23%	0.225	63%	0.625	C	S	.	*			trans	-124.7	13.2	176.3	-67.8	173.1	0	0	0	114.4	L117 H122 L123 L131	L117-L120 HydrophobicContact CB-CD1 3.86Å; L117-L120 HydrophobicContact CB-CG 4.48Å; L117-L120 HydrophobicContact CD1-CD1 4.12Å; L117-L120 HydrophobicContact CG-CD1 4.48Å; L120-H122 VanDerWaalsContact C-N 3.27Å; L120-H122 PolarHBondContact O-N 2.87Å; L120-L123 HydrophobicContact CD2-CD1 3.58Å; L120-L131 HydrophobicContact CD2-CD2 3.54Å
121	K	47	Very low	44.4	Very low	180 Å²	180	113.9 Å²	113.9	78%	0.783	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	-12.1	-176.7	-82.8	-172.1	177.6	-179.3	0	115.1
122	H	48.6	Very low	46.1	Very low	184 Å²	184	110.1 Å²	110.1	85%	0.852	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.5	0.8	-172.8	-52.9	-60.4	0	0	0	114.8	L120	L120-H122 VanDerWaalsContact C-N 3.27Å; L120-H122 PolarHBondContact O-N 2.87Å
123	L	52.1	Low	47.8	Very low	38 Å²	38	105.4 Å²	105.4	20%	0.199	56%	0.555	C	S	.	*	S	Bend	trans	-92.5	139.9	-178.7	-70.7	161.3	0	0	0	111.3	L120 E127 L131 N1130	L120-L123 HydrophobicContact CD2-CD1 3.58Å; L123-E127 HydrophobicContact CB-CB 4.29Å; L123-E127 HydrophobicContact CD2-CB 3.92Å; L123-L131 HydrophobicContact CD1-CD2 3.85Å; L123-N1130 HydrophobicContact CD2-CB 4.42Å
124	S	65.9	Low	49.5	Very low	54 Å²	54	100.3 Å²	100.3	38%	0.378	53%	0.534	S	S	.	.			trans	-63	154.2	170.5	66.5	0	0	0	0	110.6	G126 E127 K128	S124-G126 PolarHBondContact O-N 2.62Å; S124-G126 VanDerWaalsContact O-N 3.14Å; S124-E127 WeakPolarHBondContact CB-OE2 3.5Å; S124-E127 PolarHBondContact N-OE2 3.43Å; S124-E127 PolarHBondContact O-N 3.15Å; S124-E127 VanDerWaalsContact O-N 3.09Å; S124-E127 VanDerWaalsContact OG-CD 3.23Å; S124-E127 VanDerWaalsContact OG-CG 3.26Å; S124-E127 WeakPolarHBondContact OG-CG 3.43Å; S124-E127 PolarHBondContact OG-N 3.46Å; S124-E127 PolarHBondContact OG-OE2 2.87Å; S124-K128 PolarHBondContact O-N 3.45Å
125	P	60.4	Low	50.8	Low	115 Å²	115	97.9 Å²	97.9	75%	0.747	51%	0.508	S	S	*	.	H	α-helix	trans	-54.3	-35.9	-179.5	-27.4	34.7	0	0	0	113.8	F129	P125-F129 WeakPolarHBondContact O-CB 3.41Å; P125-F129 PolarHBondContact O-N 2.8Å
126	G	58.3	Low	52.2	Low	46 Å²	46	98 Å²	98	47%	0.474	50%	0.499	S	S	.	.	H	α-helix	trans	-69.7	-40.1	177.5	0	0	0	0	0	113.5	S124 F129 K130	S124-G126 PolarHBondContact O-N 2.62Å; S124-G126 VanDerWaalsContact O-N 3.14Å; G126-F129 PolarHBondContact O-N 2.92Å; G126-K130 PolarHBondContact O-N 3.44Å
127	E	58	Low	53.8	Low	86 Å²	86	92.5 Å²	92.5	40%	0.402	47%	0.469	S	S	.	.	H	α-helix	trans	-68.5	-40	174.3	-69.4	165.6	140.4	0	0	111.4	L123 S124 F129 K130 L131	L123-E127 HydrophobicContact CB-CB 4.29Å; L123-E127 HydrophobicContact CD2-CB 3.92Å; S124-E127 WeakPolarHBondContact CB-OE2 3.5Å; S124-E127 PolarHBondContact N-OE2 3.43Å; S124-E127 PolarHBondContact O-N 3.15Å; S124-E127 VanDerWaalsContact O-N 3.09Å; S124-E127 VanDerWaalsContact OG-CD 3.23Å; S124-E127 VanDerWaalsContact OG-CG 3.26Å; S124-E127 WeakPolarHBondContact OG-CG 3.43Å; S124-E127 PolarHBondContact OG-N 3.46Å; S124-E127 PolarHBondContact OG-OE2 2.87Å; E127-F129 VanDerWaalsContact C-N 3.31Å; E127-F129 PolarHBondContact O-N 3.18Å; E127-K130 PolarHBondContact O-N 2.88Å; E127-L131 VanDerWaalsContact O-CB 3.27Å; E127-L131 WeakPolarHBondContact O-CB 3.15Å; E127-L131 PolarHBondContact O-N 2.89Å
128	K	55.1	Low	55	Low	103 Å²	103	90.5 Å²	90.5	45%	0.448	46%	0.458	S	S	.	.	H	α-helix	trans	-59.2	-43.2	174.9	-166.4	177.5	-179.5	-179.3	0	111.1	S124 L131 E132	S124-K128 PolarHBondContact O-N 3.45Å; K128-L131 PolarHBondContact O-N 2.8Å; K128-E132 VanDerWaalsContact O-CB 3.31Å; K128-E132 WeakPolarHBondContact O-CB 3.38Å; K128-E132 PolarHBondContact O-N 3.34Å
129	F	59.9	Low	55.9	Low	125 Å²	125	85 Å²	85	55%	0.548	45%	0.446	S	S	.	.	H	α-helix	trans	-65.8	-44.5	176.2	-177	-99.7	0	0	0	113	P125 G126 E127 L131 E132 N133	P125-F129 WeakPolarHBondContact O-CB 3.41Å; P125-F129 PolarHBondContact O-N 2.8Å; G126-F129 PolarHBondContact O-N 2.92Å; E127-F129 VanDerWaalsContact C-N 3.31Å; E127-F129 PolarHBondContact O-N 3.18Å; F129-L131 VanDerWaalsContact C-N 3.29Å; F129-L131 PolarHBondContact O-N 3.13Å; F129-E132 PolarHBondContact O-N 3.41Å; F129-N133 WeakPolarHBondContact CE1-ND2 3.39Å; F129-N133 WeakPolarHBondContact CZ-ND2 3.47Å; F129-N133 PolarHBondContact O-N 3.42Å
130	K	57.4	Low	57.1	Low	161 Å²	161	83.3 Å²	83.3	70%	0.7	43%	0.432	S	S	*	.	H	α-helix	trans	-59.2	-43.1	174.6	-79.1	-175.1	178.1	-178.4	0	111.3	G126 E127 N133 A134	G126-K130 PolarHBondContact O-N 3.44Å; E127-K130 PolarHBondContact O-N 2.88Å; K130-N133 PolarHBondContact O-N 3.29Å; K130-A134 PolarHBondContact O-N 3.17Å
131	L	56.1	Low	58.1	Low	29 Å²	29	81.4 Å²	81.4	15%	0.152	42%	0.422	C	S	.	.	H	α-helix	trans	-63.7	-47	178	-167.5	69.4	0	0	0	111.6	L120 L123 E127 K128 F129 N133 A134 L135 M1131	L120-L131 HydrophobicContact CD2-CD2 3.54Å; L123-L131 HydrophobicContact CD1-CD2 3.85Å; E127-L131 VanDerWaalsContact O-CB 3.27Å; E127-L131 WeakPolarHBondContact O-CB 3.15Å; E127-L131 PolarHBondContact O-N 2.89Å; K128-L131 PolarHBondContact O-N 2.8Å; F129-L131 VanDerWaalsContact C-N 3.29Å; F129-L131 PolarHBondContact O-N 3.13Å; L131-N133 VanDerWaalsContact C-N 3.27Å; L131-N133 PolarHBondContact O-N 2.79Å; L131-A134 PolarHBondContact O-N 2.81Å; L131-L135 HydrophobicContact CG-CD1 4.23Å; L131-L135 WeakPolarHBondContact O-CB 3.49Å; L131-L135 VanDerWaalsContact O-CG 3.26Å; L131-L135 WeakPolarHBondContact O-CG 3.35Å; L131-L135 PolarHBondContact O-N 3.09Å; L131-M1131 HydrophobicContact CD1-CG 4.22Å; L131-M1131 HydrophobicContact CD1-SD 3.61Å; L131-M1131 HydrophobicContact CD2-SD 4.44Å; L131-M1131 HydrophobicContact CG-SD 4.37Å
132	E	58.8	Low	58.9	Low	105 Å²	105	76.9 Å²	76.9	49%	0.491	41%	0.406	S	S	.	.	H	α-helix	trans	-62.1	-36	178.9	-160.2	175.5	-166.4	0	0	111.7	K128 F129 K136	K128-E132 VanDerWaalsContact O-CB 3.31Å; K128-E132 WeakPolarHBondContact O-CB 3.38Å; K128-E132 PolarHBondContact O-N 3.34Å; F129-E132 PolarHBondContact O-N 3.41Å; E132-K136 PolarHBondContact O-N 3.43Å
133	N	61.3	Low	60	Low	63 Å²	63	72.6 Å²	72.6	34%	0.337	39%	0.386	S	S	.	.	H	α-helix	trans	-69.5	-44.7	172.3	-87.4	-14.7	0	0	0	112.9	F129 K130 L131 L135 K136 I137	F129-N133 WeakPolarHBondContact CE1-ND2 3.39Å; F129-N133 WeakPolarHBondContact CZ-ND2 3.47Å; F129-N133 PolarHBondContact O-N 3.42Å; K130-N133 PolarHBondContact O-N 3.29Å; L131-N133 VanDerWaalsContact C-N 3.27Å; L131-N133 PolarHBondContact O-N 2.79Å; N133-L135 VanDerWaalsContact C-N 3.25Å; N133-L135 PolarHBondContact O-N 3.31Å; N133-K136 PolarHBondContact O-N 3.18Å; N133-I137 WeakPolarHBondContact O-CD1 3.4Å; N133-I137 VanDerWaalsContact O-CG1 3.24Å; N133-I137 WeakPolarHBondContact O-CG1 3.4Å; N133-I137 PolarHBondContact O-N 2.96Å
134	A	61.6	Low	60.8	Low	44 Å²	44	75.4 Å²	75.4	36%	0.364	41%	0.407	S	S	.	.	H	α-helix	trans	-58.7	-39.8	175.1	0	0	0	0	0	111.5	K130 L131 I137 L138	K130-A134 PolarHBondContact O-N 3.17Å; L131-A134 PolarHBondContact O-N 2.81Å; A134-I137 WeakPolarHBondContact O-CB 3.43Å; A134-I137 PolarHBondContact O-N 3.45Å; A134-L138 WeakPolarHBondContact O-CG 3.49Å; A134-L138 PolarHBondContact O-N 3.36Å
135	L	55.6	Low	61	Low	42 Å²	42	79 Å²	79	22%	0.22	42%	0.416	C	S	.	.	H	α-helix	trans	-67	-39.4	175.1	-69.8	171.8	0	0	0	112.8	L131 N133 I137 L138 S139 M1061 M1131	L131-L135 HydrophobicContact CG-CD1 4.23Å; L131-L135 WeakPolarHBondContact O-CB 3.49Å; L131-L135 VanDerWaalsContact O-CG 3.26Å; L131-L135 WeakPolarHBondContact O-CG 3.35Å; L131-L135 PolarHBondContact O-N 3.09Å; N133-L135 VanDerWaalsContact C-N 3.25Å; N133-L135 PolarHBondContact O-N 3.31Å; L135-I137 VanDerWaalsContact C-N 3.29Å; L135-I137 PolarHBondContact O-N 3.23Å; L135-L138 PolarHBondContact O-N 3.32Å; L135-S139 WeakPolarHBondContact O-CB 3.47Å; L135-S139 PolarHBondContact O-N 3.2Å; L135-S139 PolarHBondContact O-OG 2.84Å; L135-M1061 HydrophobicContact CD2-CB 4.43Å; L135-M1061 HydrophobicContact CD2-CG 4.4Å; L135-M1061 HydrophobicContact CD2-SD 3.49Å; L135-M1061 WeakPolarHBondContact CD2-SD 3.15Å; L135-M1131 HydrophobicContact CD2-CE 4.35Å
136	K	59.2	Low	61.5	Low	125 Å²	125	74.2 Å²	74.2	54%	0.543	38%	0.384	S	S	.	.	H	α-helix	trans	-63.5	-35.8	171.8	-85.7	179.4	178.3	170.4	0	112.3	E132 N133 S139 D140	E132-K136 PolarHBondContact O-N 3.43Å; N133-K136 PolarHBondContact O-N 3.18Å; K136-S139 WeakPolarHBondContact CA-OG 3.46Å; K136-S139 PolarHBondContact O-OG 3.25Å; K136-D140 PolarHBondContact O-N 3.38Å
137	I	61.4	Low	61.9	Low	22 Å²	22	74.8 Å²	74.8	11%	0.113	37%	0.372	C	S	.	.	H	α-helix	trans	-67.4	-45.9	177.9	-69.7	160.1	0	0	0	111	N133 A134 L135 D140 P141 N146 T149 V150	N133-I137 WeakPolarHBondContact O-CD1 3.4Å; N133-I137 VanDerWaalsContact O-CG1 3.24Å; N133-I137 WeakPolarHBondContact O-CG1 3.4Å; N133-I137 PolarHBondContact O-N 2.96Å; A134-I137 WeakPolarHBondContact O-CB 3.43Å; A134-I137 PolarHBondContact O-N 3.45Å; L135-I137 VanDerWaalsContact C-N 3.29Å; L135-I137 PolarHBondContact O-N 3.23Å; I137-D140 CarbonylContact O-C 3.55Å; I137-P141 WeakPolarHBondContact O-CA 3.48Å; I137-N146 HydrophobicContact CB-CB 4.41Å; I137-N146 HydrophobicContact CG1-CB 4.29Å; I137-N146 WeakPolarHBondContact CG1-OD1 3.35Å; I137-N146 HydrophobicContact CG2-CB 4.04Å; I137-T149 HydrophobicContact CD1-CG2 3.96Å; I137-V150 HydrophobicContact CG2-CG2 3.79Å
138	L	57.7	Low	62.3	Low	43 Å²	43	76.7 Å²	76.7	23%	0.225	38%	0.381	C	S	.	.	H	α-helix	trans	-70.2	-30.9	179.5	-71.5	170.5	0	0	0	113.4	A134 L135 V1066	A134-L138 WeakPolarHBondContact O-CG 3.49Å; A134-L138 PolarHBondContact O-N 3.36Å; L135-L138 PolarHBondContact O-N 3.32Å; L138-V1066 HydrophobicContact CD2-CG1 4.38Å
139	S	54.9	Low	62.7	Low	67 Å²	67	73.3 Å²	73.3	47%	0.469	37%	0.369	S	S	.	.	H	α-helix	trans	-78.1	-26.4	178.8	53.8	0	0	0	0	114	L135 K136 Q1063	L135-S139 WeakPolarHBondContact O-CB 3.47Å; L135-S139 PolarHBondContact O-N 3.2Å; L135-S139 PolarHBondContact O-OG 2.84Å; K136-S139 WeakPolarHBondContact CA-OG 3.46Å; K136-S139 PolarHBondContact O-OG 3.25Å; S139-Q1063 PolarHBondContact O-NE2 2.93Å
140	D	67.1	Low	62.7	Low	75 Å²	75	68 Å²	68	40%	0.401	35%	0.347	S	S	.	.			trans	-137.7	75.1	173.5	-174.6	10.6	0	0	0	112.4	K136 I137 N142 H143 N146	K136-D140 PolarHBondContact O-N 3.38Å; I137-D140 CarbonylContact O-C 3.55Å; D140-N142 PolarHBondContact O-N 3.47Å; D140-N142 VanDerWaalsContact O-N 3.15Å; D140-N142 PolarHBondContact OD1-N 2.93Å; D140-H143 PolarHBondContact O-N 3.13Å; D140-N146 PolarHBondContact O-ND2 3.17Å
141	P	63.5	Low	62.9	Low	2 Å²	2	64.2 Å²	64.2	1%	0.013	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-11.5	-178.4	28	-34.7	0	0	0	113.2	I137 R147 L158 V1066	I137-P141 WeakPolarHBondContact O-CA 3.48Å; P141-R147 VanDerWaalsContact O-CG 3.26Å; P141-R147 WeakPolarHBondContact O-CG 3.28Å; P141-L158 HydrophobicContact CB-CD1 4.12Å; P141-L158 WeakPolarHBondContact O-CD1 3.4Å; P141-V1066 HydrophobicContact CG-CG2 4.17Å
142	N	65.1	Low	63.3	Low	85 Å²	85	69.2 Å²	69.2	46%	0.455	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-16.5	-177.8	-75.6	-39.5	0	0	0	113.3	D140	D140-N142 PolarHBondContact O-N 3.47Å; D140-N142 VanDerWaalsContact O-N 3.15Å; D140-N142 PolarHBondContact OD1-N 2.93Å
143	H	70.8	Confident	63.2	Low	94 Å²	94	70.5 Å²	70.5	44%	0.435	36%	0.364	S	S	.	.	S	Bend	trans	-59.9	135.7	174.4	-169.5	-93.2	0	0	0	110.8	D140 F145 N146 R147	D140-H143 PolarHBondContact O-N 3.13Å; H143-F145 VanDerWaalsContact C-N 3.29Å; H143-F145 PolarHBondContact ND1-N 3.28Å; H143-F145 PolarHBondContact O-N 2.93Å; H143-N146 HydrophobicContact CB-CB 4.16Å; H143-N146 WeakPolarHBondContact O-CB 3.5Å; H143-N146 PolarHBondContact O-N 3.18Å; H143-R147 PolarHBondContact O-N 2.92Å
144	P	69.7	Low	62.8	Low	97 Å²	97	73.6 Å²	73.6	63%	0.63	37%	0.372	S	S	*	.	H	α-helix	trans	-55.5	-39.8	-172.9	-25.9	32.7	0	0	0	114.3	Q148	P144-Q148 PolarHBondContact O-N 2.97Å
145	F	68.9	Low	62.1	Low	130 Å²	130	74.5 Å²	74.5	57%	0.57	39%	0.386	S	S	*	.	H	α-helix	trans	-64.1	-45.1	175.8	-178.7	-99.6	0	0	0	111.6	H143 R147 Q148 T149	H143-F145 VanDerWaalsContact C-N 3.29Å; H143-F145 PolarHBondContact ND1-N 3.28Å; H143-F145 PolarHBondContact O-N 2.93Å; F145-R147 VanDerWaalsContact C-N 3.3Å; F145-R147 PolarHBondContact O-N 2.82Å; F145-Q148 PolarHBondContact O-N 3.14Å; F145-T149 PolarHBondContact O-N 2.99Å; F145-T149 PolarHBondContact O-OG1 2.8Å; F145-T149 VanDerWaalsContact O-OG1 3.13Å
146	N	71.8	Confident	61.9	Low	15 Å²	15	74.1 Å²	74.1	8%	0.08	38%	0.384	C	S	.	.	H	α-helix	trans	-67	-34	-178.3	-62.6	-5	0	0	0	111.1	I137 D140 H143 T149 V150	I137-N146 HydrophobicContact CB-CB 4.41Å; I137-N146 HydrophobicContact CG1-CB 4.29Å; I137-N146 WeakPolarHBondContact CG1-OD1 3.35Å; I137-N146 HydrophobicContact CG2-CB 4.04Å; D140-N146 PolarHBondContact O-ND2 3.17Å; H143-N146 HydrophobicContact CB-CB 4.16Å; H143-N146 WeakPolarHBondContact O-CB 3.5Å; H143-N146 PolarHBondContact O-N 3.18Å; N146-T149 PolarHBondContact O-N 2.93Å; N146-V150 WeakPolarHBondContact O-CB 3.18Å; N146-V150 VanDerWaalsContact O-CG2 3.27Å; N146-V150 WeakPolarHBondContact O-CG2 3.35Å; N146-V150 PolarHBondContact O-N 3.3Å
147	R	67.1	Low	61.5	Low	58 Å²	58	75.2 Å²	75.2	22%	0.219	39%	0.391	C	S	.	.	H	α-helix	trans	-58.8	-47	173.5	-77	-172.6	165.6	-161.1	-9.4	112.9	P141 H143 F145 T149 Q151 L158 P159	P141-R147 VanDerWaalsContact O-CG 3.26Å; P141-R147 WeakPolarHBondContact O-CG 3.28Å; H143-R147 PolarHBondContact O-N 2.92Å; F145-R147 VanDerWaalsContact C-N 3.3Å; F145-R147 PolarHBondContact O-N 2.82Å; R147-T149 VanDerWaalsContact C-N 3.34Å; R147-Q151 WeakPolarHBondContact O-CB 3.47Å; R147-Q151 PolarHBondContact O-N 3.21Å; R147-L158 HydrophobicContact CB-CD1 4.46Å; R147-L158 HydrophobicContact CG-CB 4.38Å; R147-L158 HydrophobicContact CG-CD1 3.8Å; R147-P159 PolarHBondContact NH2-O 3.03Å
148	Q	64.6	Low	60.9	Low	126 Å²	126	75.3 Å²	75.3	59%	0.589	39%	0.392	S	S	*	.	H	α-helix	trans	-62.4	-44.1	176.7	-90.5	-178.4	-14.1	0	0	110.8	P144 F145 Q151 N152	P144-Q148 PolarHBondContact O-N 2.97Å; F145-Q148 PolarHBondContact O-N 3.14Å; Q148-Q151 PolarHBondContact O-N 2.87Å; Q148-N152 VanDerWaalsContact O-CB 3.3Å; Q148-N152 WeakPolarHBondContact O-CB 3.48Å; Q148-N152 PolarHBondContact O-N 3.22Å; Q148-N152 PolarHBondContact O-ND2 3.41Å; Q148-N152 PolarHBondContact O-OD1 3.48Å
149	T	63.6	Low	60.2	Low	32 Å²	32	77.8 Å²	77.8	20%	0.196	41%	0.41	C	S	.	.	H	α-helix	trans	-64.1	-45.8	179.4	-45.1	0	0	0	0	112.2	I137 F145 N146 R147 Q151 N152 E153	I137-T149 HydrophobicContact CD1-CG2 3.96Å; F145-T149 PolarHBondContact O-N 2.99Å; F145-T149 PolarHBondContact O-OG1 2.8Å; F145-T149 VanDerWaalsContact O-OG1 3.13Å; N146-T149 PolarHBondContact O-N 2.93Å; R147-T149 VanDerWaalsContact C-N 3.34Å; T149-Q151 VanDerWaalsContact C-N 3.3Å; T149-Q151 PolarHBondContact O-N 3.43Å; T149-N152 PolarHBondContact O-N 3.22Å; T149-E153 PolarHBondContact O-N 2.75Å
150	V	59.6	Low	59.8	Low	14 Å²	14	80.3 Å²	80.3	9%	0.085	42%	0.423	C	S	.	.	H	α-helix	trans	-62.1	-38.3	176.9	170.8	0	0	0	0	111.4	I137 N146 Y154 I156 L158	I137-V150 HydrophobicContact CG2-CG2 3.79Å; N146-V150 WeakPolarHBondContact O-CB 3.18Å; N146-V150 VanDerWaalsContact O-CG2 3.27Å; N146-V150 WeakPolarHBondContact O-CG2 3.35Å; N146-V150 PolarHBondContact O-N 3.3Å; V150-Y154 HydrophobicContact CG1-CD2 4.41Å; V150-Y154 WeakPolarHBondContact O-CB 3.36Å; V150-Y154 PolarHBondContact O-N 2.8Å; V150-Y154 VanDerWaalsContact O-N 3.07Å; V150-I156 HydrophobicContact CG1-CB 4.05Å; V150-I156 HydrophobicContact CG1-CG2 4.28Å; V150-L158 HydrophobicContact CB-CD1 4.47Å; V150-L158 HydrophobicContact CG1-CD1 4.3Å
151	Q	62.9	Low	58.5	Low	81 Å²	81	82.2 Å²	82.2	38%	0.379	43%	0.432	S	S	.	.	H	α-helix	trans	-68.4	-40.8	174.9	-176	175.3	-1.6	0	0	112	R147 Q148 T149 G155	R147-Q151 WeakPolarHBondContact O-CB 3.47Å; R147-Q151 PolarHBondContact O-N 3.21Å; Q148-Q151 PolarHBondContact O-N 2.87Å; T149-Q151 VanDerWaalsContact C-N 3.3Å; T149-Q151 PolarHBondContact O-N 3.43Å; Q151-G155 WeakPolarHBondContact O-CA 3.1Å; Q151-G155 PolarHBondContact O-N 3.15Å
152	N	63.4	Low	57.2	Low	133 Å²	133	88.4 Å²	88.4	71%	0.711	46%	0.464	S	S	*	.	H	α-helix	trans	-73.6	-41.2	-177.3	-69.9	-14.3	0	0	0	112.7	Q148 T149	Q148-N152 VanDerWaalsContact O-CB 3.3Å; Q148-N152 WeakPolarHBondContact O-CB 3.48Å; Q148-N152 PolarHBondContact O-N 3.22Å; Q148-N152 PolarHBondContact O-ND2 3.41Å; Q148-N152 PolarHBondContact O-OD1 3.48Å; T149-N152 PolarHBondContact O-N 3.22Å
153	E	57.4	Low	56	Low	133 Å²	133	91.3 Å²	91.3	62%	0.621	48%	0.475	S	S	*	.	H	α-helix	trans	-79	-40	179.7	-80.6	-169.5	149.5	0	0	112.8	T149	T149-E153 PolarHBondContact O-N 2.75Å
154	Y	52.7	Low	54.7	Low	127 Å²	127	90.7 Å²	90.7	50%	0.498	48%	0.478	S	S	.	.	H	α-helix	trans	-113.1	-5.2	-170.8	-55.3	-80.4	0	0	0	114.2	V150 I156	V150-Y154 HydrophobicContact CG1-CD2 4.41Å; V150-Y154 WeakPolarHBondContact O-CB 3.36Å; V150-Y154 PolarHBondContact O-N 2.8Å; V150-Y154 VanDerWaalsContact O-N 3.07Å; Y154-I156 HydrophobicContact CG-CD1 4.46Å; Y154-I156 PolarHBondContact O-N 2.89Å
155	G	47.6	Very low	53.4	Low	64 Å²	64	95.5 Å²	95.5	66%	0.66	48%	0.484	S	S	*	.			trans	69.9	12	-174.5	0	0	0	0	0	113.9	Q151	Q151-G155 WeakPolarHBondContact O-CA 3.1Å; Q151-G155 PolarHBondContact O-N 3.15Å
156	I	50.4	Low	52.2	Low	33 Å²	33	93.6 Å²	93.6	17%	0.169	48%	0.478	C	S	.	.			trans	-93.1	108.2	-171.3	-64.1	173.2	0	0	0	110.3	V150 Y154 K1069	V150-I156 HydrophobicContact CG1-CB 4.05Å; V150-I156 HydrophobicContact CG1-CG2 4.28Å; Y154-I156 HydrophobicContact CG-CD1 4.46Å; Y154-I156 PolarHBondContact O-N 2.89Å; I156-K1069 HydrophobicContact CD1-CB 4.4Å; I156-K1069 HydrophobicContact CG2-CD 3.61Å
157	Q	51.5	Low	50.9	Low	149 Å²	149	96.1 Å²	96.1	70%	0.696	49%	0.494	S	S	*	.	P	Polyproline II helix	trans	-80.3	121.2	171.3	-143.7	171.5	15.8	0	0	110.4
158	L	48.6	Very low	50	Low	24 Å²	24	98.4 Å²	98.4	13%	0.126	51%	0.508	C	S	.	.	P	Polyproline II helix	trans	-82.5	135.6	175.5	-76.9	151	0	0	0	110	P141 R147 V150 T160	P141-L158 HydrophobicContact CB-CD1 4.12Å; P141-L158 WeakPolarHBondContact O-CD1 3.4Å; R147-L158 HydrophobicContact CB-CD1 4.46Å; R147-L158 HydrophobicContact CG-CB 4.38Å; R147-L158 HydrophobicContact CG-CD1 3.8Å; V150-L158 HydrophobicContact CB-CD1 4.47Å; V150-L158 HydrophobicContact CG1-CD1 4.3Å; L158-T160 PolarHBondContact O-N 3.19Å
159	P	43.3	Very low	49.2	Very low	95 Å²	95	98.6 Å²	98.6	62%	0.617	51%	0.508	S	S	*	.	P	Polyproline II helix	trans	-58.9	135.4	-176.6	19.6	-29.9	0	0	0	112.3	R147 I161	R147-P159 PolarHBondContact NH2-O 3.03Å; P159-I161 PolarHBondContact O-N 3.2Å; P159-I161 VanDerWaalsContact O-N 3.08Å
160	T	46	Very low	48.4	Very low	119 Å²	119	102.4 Å²	102.4	73%	0.73	52%	0.524	S	S	*	.			trans	-70.9	101.5	178.8	-40.4	0	0	0	0	109	L158 L162	L158-T160 PolarHBondContact O-N 3.19Å; T160-L162 PolarHBondContact O-N 2.86Å
161	I	40.2	Very low	47.9	Very low	116 Å²	116	107.7 Å²	107.7	60%	0.595	55%	0.548	S	S	*	.			trans	-65.3	108.9	167.3	-56.9	170	0	0	0	105.1	P159 Q163	P159-I161 PolarHBondContact O-N 3.2Å; P159-I161 VanDerWaalsContact O-N 3.08Å; I161-Q163 PolarHBondContact O-N 3.22Å
162	L	36.8	Very low	47.3	Very low	132 Å²	132	111.9 Å²	111.9	69%	0.691	56%	0.56	S	S	*	*			trans	-45.7	101.8	179.1	-79.8	161.4	0	0	0	110	T160 T164 R165	T160-L162 PolarHBondContact O-N 2.86Å; L162-T164 PolarHBondContact O-N 3.49Å; L162-R165 PolarHBondContact O-N 2.83Å
163	Q	39.7	Very low	46.7	Very low	145 Å²	145	111.4 Å²	111.4	68%	0.678	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.6	-6.7	179.2	-83.9	175.8	-25	0	0	113	I161 R165 I166 T167	I161-Q163 PolarHBondContact O-N 3.22Å; Q163-R165 PolarHBondContact O-N 3.31Å; Q163-I166 PolarHBondContact O-N 3.34Å; Q163-T167 PolarHBondContact O-N 2.9Å; Q163-T167 PolarHBondContact O-OG1 3.39Å
164	T	43.4	Very low	46.6	Very low	81 Å²	81	110.1 Å²	110.1	50%	0.497	55%	0.551	S	S	.	*	H	α-helix	trans	-55.4	-33.9	169.4	23.1	0	0	0	0	112.1	L162 E168	L162-T164 PolarHBondContact O-N 3.49Å; T164-E168 WeakPolarHBondContact O-CB 3.42Å; T164-E168 WeakPolarHBondContact O-CG 3.46Å; T164-E168 PolarHBondContact O-N 3.49Å
165	R	42.4	Very low	46.5	Very low	198 Å²	198	112.9 Å²	112.9	75%	0.747	56%	0.561	S	S	*	*	H	α-helix	trans	-68.7	-38.5	176.5	-72.4	-170.1	-177.1	-179.5	2.9	113.6	L162 Q163 E169	L162-R165 PolarHBondContact O-N 2.83Å; Q163-R165 PolarHBondContact O-N 3.31Å; R165-E169 WeakPolarHBondContact O-CB 3.49Å; R165-E169 PolarHBondContact O-N 2.88Å
166	I	43.6	Very low	46.6	Very low	90 Å²	90	117.2 Å²	117.2	46%	0.462	56%	0.561	S	S	.	*	H	α-helix	trans	-71.1	-39.1	179.4	-57.7	175	0	0	0	110.1	Q163 E169 Q170	Q163-I166 PolarHBondContact O-N 3.34Å; I166-E169 PolarHBondContact O-N 3Å; I166-Q170 HydrophobicContact CG2-CG 4.43Å; I166-Q170 WeakPolarHBondContact O-CB 3.5Å; I166-Q170 WeakPolarHBondContact O-CG 2.93Å; I166-Q170 PolarHBondContact O-N 3.34Å
167	T	45.1	Very low	46.4	Very low	68 Å²	68	120.8 Å²	120.8	42%	0.417	58%	0.58	S	S	.	*	H	α-helix	trans	-69	-40.5	179	-44.5	0	0	0	0	111.2	Q163 Q171	Q163-T167 PolarHBondContact O-N 2.9Å; Q163-T167 PolarHBondContact O-OG1 3.39Å; T167-Q171 VanDerWaalsContact O-CB 3.31Å; T167-Q171 WeakPolarHBondContact O-CB 3.21Å; T167-Q171 VanDerWaalsContact O-CG 3.28Å; T167-Q171 WeakPolarHBondContact O-CG 2.88Å; T167-Q171 PolarHBondContact O-N 3.28Å
168	E	47	Very low	46	Very low	107 Å²	107	124.4 Å²	124.4	50%	0.5	59%	0.587	S	S	.	*	H	α-helix	trans	-67.6	-37.9	174.4	-76.3	-176.8	-174.2	0	0	112.7	T164 R172	T164-E168 WeakPolarHBondContact O-CB 3.42Å; T164-E168 WeakPolarHBondContact O-CG 3.46Å; T164-E168 PolarHBondContact O-N 3.49Å; E168-R172 VanDerWaalsContact O-CB 3.24Å; E168-R172 WeakPolarHBondContact O-CB 3.18Å; E168-R172 VanDerWaalsContact O-CG 3.28Å; E168-R172 WeakPolarHBondContact O-CG 3.28Å; E168-R172 PolarHBondContact O-N 3.04Å
169	E	47.4	Very low	45.8	Very low	129 Å²	129	130 Å²	130	60%	0.603	61%	0.613	S	S	*	*	H	α-helix	trans	-68.6	-41	175.6	-82.7	-173.6	153.1	0	0	112.4	R165 I166 R172 Q173	R165-E169 WeakPolarHBondContact O-CB 3.49Å; R165-E169 PolarHBondContact O-N 2.88Å; I166-E169 PolarHBondContact O-N 3Å; E169-R172 PolarHBondContact O-N 2.93Å; E169-Q173 WeakPolarHBondContact O-CB 3.21Å; E169-Q173 WeakPolarHBondContact O-CG 3.37Å; E169-Q173 PolarHBondContact O-N 3.12Å
170	Q	48	Very low	45.5	Very low	113 Å²	113	129.7 Å²	129.7	53%	0.528	61%	0.613	S	S	.	*	H	α-helix	trans	-67.1	-39.9	174.4	-74.4	-178.6	-2.6	0	0	111.9	I166 Q173 N174	I166-Q170 HydrophobicContact CG2-CG 4.43Å; I166-Q170 WeakPolarHBondContact O-CB 3.5Å; I166-Q170 WeakPolarHBondContact O-CG 2.93Å; I166-Q170 PolarHBondContact O-N 3.34Å; Q170-Q173 PolarHBondContact O-N 2.88Å; Q170-N174 WeakPolarHBondContact O-CB 3.48Å; Q170-N174 PolarHBondContact O-N 3.06Å
171	Q	49.6	Very low	45.1	Very low	125 Å²	125	132.9 Å²	132.9	58%	0.584	62%	0.616	S	S	*	*	H	α-helix	trans	-67.8	-36.6	173.9	-75.4	-177	2.9	0	0	112.2	T167 N174 R175	T167-Q171 VanDerWaalsContact O-CB 3.31Å; T167-Q171 WeakPolarHBondContact O-CB 3.21Å; T167-Q171 VanDerWaalsContact O-CG 3.28Å; T167-Q171 WeakPolarHBondContact O-CG 2.88Å; T167-Q171 PolarHBondContact O-N 3.28Å; Q171-N174 PolarHBondContact O-N 2.77Å; Q171-R175 WeakPolarHBondContact O-CB 3.4Å; Q171-R175 PolarHBondContact O-N 2.83Å
172	R	49.9	Very low	44.7	Very low	169 Å²	169	134.3 Å²	134.3	64%	0.638	63%	0.625	S	S	*	*	H	α-helix	trans	-66.1	-39.5	172.2	-82.3	177.2	174.5	-179.2	1.2	111.8	E168 E169 K176	E168-R172 VanDerWaalsContact O-CB 3.24Å; E168-R172 WeakPolarHBondContact O-CB 3.18Å; E168-R172 VanDerWaalsContact O-CG 3.28Å; E168-R172 WeakPolarHBondContact O-CG 3.28Å; E168-R172 PolarHBondContact O-N 3.04Å; E169-R172 PolarHBondContact O-N 2.93Å; R172-K176 WeakPolarHBondContact O-CB 3.16Å; R172-K176 VanDerWaalsContact O-CG 3.29Å; R172-K176 WeakPolarHBondContact O-CG 3.42Å; R172-K176 PolarHBondContact O-N 2.99Å
173	Q	50.1	Low	44.3	Very low	122 Å²	122	136.7 Å²	136.7	57%	0.57	63%	0.633	S	S	*	*	H	α-helix	trans	-65.8	-43.9	173.9	-78.4	-177.4	-1.9	0	0	111.2	E169 Q170 K176 I177	E169-Q173 WeakPolarHBondContact O-CB 3.21Å; E169-Q173 WeakPolarHBondContact O-CG 3.37Å; E169-Q173 PolarHBondContact O-N 3.12Å; Q170-Q173 PolarHBondContact O-N 2.88Å; Q173-K176 PolarHBondContact O-N 3.47Å; Q173-I177 WeakPolarHBondContact O-CD1 3.47Å; Q173-I177 VanDerWaalsContact O-CG1 3.22Å; Q173-I177 WeakPolarHBondContact O-CG1 3.39Å; Q173-I177 PolarHBondContact O-N 2.81Å
174	N	54.9	Low	44	Very low	106 Å²	106	135.2 Å²	135.2	57%	0.567	64%	0.636	S	S	*	*	H	α-helix	trans	-68.3	-34.8	177.9	-78.4	-16.2	0	0	0	113.2	Q170 Q171 I177 R178	Q170-N174 WeakPolarHBondContact O-CB 3.48Å; Q170-N174 PolarHBondContact O-N 3.06Å; Q171-N174 PolarHBondContact O-N 2.77Å; N174-I177 PolarHBondContact O-N 2.99Å; N174-R178 PolarHBondContact O-N 2.86Å
175	R	51.4	Low	43.3	Very low	185 Å²	185	139.3 Å²	139.3	70%	0.698	66%	0.655	S	S	*	*	H	α-helix	trans	-64.1	-44.8	169.6	-86	-172.9	174.2	178.7	-0.9	111.5	Q171 I177 R178 E179	Q171-R175 WeakPolarHBondContact O-CB 3.4Å; Q171-R175 PolarHBondContact O-N 2.83Å; R175-I177 VanDerWaalsContact C-N 3.27Å; R175-I177 PolarHBondContact O-N 2.68Å; R175-R178 PolarHBondContact O-N 3.29Å; R175-E179 WeakPolarHBondContact O-CB 3.45Å; R175-E179 WeakPolarHBondContact O-CG 3.24Å; R175-E179 PolarHBondContact O-N 3.32Å
176	K	49.2	Very low	42.5	Very low	155 Å²	155	136.1 Å²	136.1	67%	0.674	66%	0.657	S	S	*	*	H	α-helix	trans	-61.5	-32.9	175.2	-76.8	179.6	177.6	-175.3	0	113.1	R172 Q173 S180	R172-K176 WeakPolarHBondContact O-CB 3.16Å; R172-K176 VanDerWaalsContact O-CG 3.29Å; R172-K176 WeakPolarHBondContact O-CG 3.42Å; R172-K176 PolarHBondContact O-N 2.99Å; Q173-K176 PolarHBondContact O-N 3.47Å; K176-S180 WeakPolarHBondContact O-CB 3.45Å; K176-S180 PolarHBondContact O-N 3.38Å; K176-S180 PolarHBondContact O-OG 3.04Å
177	I	47	Very low	41.8	Very low	108 Å²	108	136.3 Å²	136.3	55%	0.554	67%	0.672	S	S	*	*	H	α-helix	trans	-76.9	-32.6	177	-66.2	163	0	0	0	111.6	Q173 N174 R175 S180	Q173-I177 WeakPolarHBondContact O-CD1 3.47Å; Q173-I177 VanDerWaalsContact O-CG1 3.22Å; Q173-I177 WeakPolarHBondContact O-CG1 3.39Å; Q173-I177 PolarHBondContact O-N 2.81Å; N174-I177 PolarHBondContact O-N 2.99Å; R175-I177 VanDerWaalsContact C-N 3.27Å; R175-I177 PolarHBondContact O-N 2.68Å; I177-S180 PolarHBondContact O-OG 3.18Å
178	R	42.6	Very low	40.9	Very low	225 Å²	225	140.6 Å²	140.6	85%	0.849	69%	0.691	S	S	*	*	H	α-helix	trans	-76.4	-35.2	175.2	-97	-175.2	170.5	-176.8	-2.4	113.2	N174 R175 S180	N174-R178 PolarHBondContact O-N 2.86Å; R175-R178 PolarHBondContact O-N 3.29Å; R178-S180 VanDerWaalsContact C-N 3.32Å
179	E	43.9	Very low	39.9	Very low	143 Å²	143	141.4 Å²	141.4	67%	0.668	70%	0.704	S	S	*	*	H	α-helix	trans	-74.8	-22.7	179	-72.2	170.7	-172.9	0	0	112.5	R175 K181	R175-E179 WeakPolarHBondContact O-CB 3.45Å; R175-E179 WeakPolarHBondContact O-CG 3.24Å; R175-E179 PolarHBondContact O-N 3.32Å; E179-K181 VanDerWaalsContact C-N 3.32Å; E179-K181 PolarHBondContact O-N 3.06Å
180	S	38	Very low	39.1	Very low	88 Å²	88	141.4 Å²	141.4	62%	0.615	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80	-1.9	-178.4	68.1	0	0	0	0	115.6	K176 I177 R178	K176-S180 WeakPolarHBondContact O-CB 3.45Å; K176-S180 PolarHBondContact O-N 3.38Å; K176-S180 PolarHBondContact O-OG 3.04Å; I177-S180 PolarHBondContact O-OG 3.18Å; R178-S180 VanDerWaalsContact C-N 3.32Å
181	K	36.8	Very low	38	Very low	185 Å²	185	142.3 Å²	142.3	80%	0.804	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.8	-9.5	175.1	-85.2	-166.7	175.3	-174.8	0	115	E179	E179-K181 VanDerWaalsContact C-N 3.32Å; E179-K181 PolarHBondContact O-N 3.06Å
182	N	31.6	Very low	37	Very low	146 Å²	146	145.1 Å²	145.1	78%	0.781	74%	0.736	S	S	*	*	S	Bend	trans	-132.5	71.9	179.1	-75.5	-16.1	0	0	0	111.4
183	Q	29.3	Very low	36.1	Very low	182 Å²	182	146.6 Å²	146.6	85%	0.85	75%	0.747	S	S	*	*	S	Bend	trans	-161.7	135.1	152	-109.1	162.1	35.8	0	0	111.1
184	P	31.9	Very low	35.1	Very low	115 Å²	115	149.8 Å²	149.8	75%	0.747	76%	0.759	S	S	*	*			trans	-81.5	130.4	-169	8.1	9.5	0	0	0	111.1	V186	P184-V186 PolarHBondContact O-N 3.42Å
185	N	29.1	Very low	33.8	Very low	167 Å²	167	153 Å²	153	89%	0.893	77%	0.768	S	S	*	*			trans	-8.9	87.9	163.5	-64.9	-27.4	0	0	0	116.4	A187	N185-A187 PolarHBondContact O-N 3.22Å
186	V	26.6	Very low	32.6	Very low	131 Å²	131	154.8 Å²	154.8	79%	0.794	78%	0.775	S	S	*	*			trans	-85.3	110.5	159.3	179.1	0	0	0	0	107.6	P184 L188	P184-V186 PolarHBondContact O-N 3.42Å; V186-L188 PolarHBondContact O-N 3.49Å
187	A	28.5	Very low	31.7	Very low	93 Å²	93	152.8 Å²	152.8	77%	0.769	77%	0.771	S	S	*	*			trans	-61.6	91.9	-179.7	0	0	0	0	0	111.3	N185 T189	N185-A187 PolarHBondContact O-N 3.22Å; A187-T189 PolarHBondContact O-N 3.2Å
188	L	25.6	Very low	30.8	Very low	159 Å²	159	155.5 Å²	155.5	83%	0.832	79%	0.786	S	S	*	*			trans	-68.1	99.2	164.9	-98.5	134.1	0	0	0	108.4	V186 T190	V186-L188 PolarHBondContact O-N 3.49Å; L188-T190 PolarHBondContact O-N 2.93Å
189	T	26.8	Very low	30.1	Very low	124 Å²	124	154 Å²	154	76%	0.761	79%	0.786	S	S	*	*			trans	-42.8	103.4	168.7	45.5	0	0	0	0	109.9	A187 V191	A187-T189 PolarHBondContact O-N 3.2Å; T189-V191 PolarHBondContact O-N 3.32Å
190	T	29.9	Very low	29.3	Very low	128 Å²	128	154.2 Å²	154.2	79%	0.785	79%	0.79	S	S	*	*			trans	-56	101.6	172	33.6	0	0	0	0	108.8	L188 K192	L188-T190 PolarHBondContact O-N 2.93Å; T190-K192 PolarHBondContact O-N 3.47Å
191	V	25.3	Very low	28.9	Very low	133 Å²	133	157 Å²	157	81%	0.806	80%	0.797	S	S	*	*			trans	-59.7	97.1	160.6	177.2	0	0	0	0	105.3	T189 K193	T189-V191 PolarHBondContact O-N 3.32Å; V191-K193 PolarHBondContact O-N 3.42Å
192	K	29.5	Very low	28.3	Very low	184 Å²	184	156 Å²	156	80%	0.8	80%	0.795	S	S	*	*			trans	-50.2	105.4	173.5	-74.1	-177.5	176.8	180	0	106.7	T190 K194	T190-K192 PolarHBondContact O-N 3.47Å; K192-K194 PolarHBondContact O-N 2.98Å
193	K	29.2	Very low	28.1	Very low	200 Å²	200	157.7 Å²	157.7	87%	0.87	79%	0.792	S	S	*	*			trans	-53.4	99.2	165	-80.9	-179.8	176.4	175	0	105.4	V191 K195	V191-K193 PolarHBondContact O-N 3.42Å; K193-K195 PolarHBondContact O-N 3.18Å
194	K	29.5	Very low	28	Very low	189 Å²	189	155.7 Å²	155.7	82%	0.822	79%	0.787	S	S	*	*			trans	-60.2	92.6	161.7	-85.1	-178.7	174	176.5	0	104.5	K192 R196	K192-K194 PolarHBondContact O-N 2.98Å; K194-R196 PolarHBondContact O-N 3.39Å
195	K	27.5	Very low	27.9	Very low	172 Å²	172	159.3 Å²	159.3	75%	0.748	79%	0.794	S	S	*	*			trans	-52.3	95.9	153.2	-104.1	-173.9	171.6	-173	0	104.1	K193 D197	K193-K195 PolarHBondContact O-N 3.18Å; K195-D197 PolarHBondContact O-N 3.4Å
196	R	27.9	Very low	27.9	Very low	224 Å²	224	155 Å²	155	85%	0.845	77%	0.774	S	S	*	*			trans	-71.9	78.3	156.1	-72.8	-178.7	178.5	157.1	-0.9	103	K194 L198	K194-R196 PolarHBondContact O-N 3.39Å; R196-L198 PolarHBondContact O-N 3.37Å
197	D	30.3	Very low	28.3	Very low	112 Å²	112	153.5 Å²	153.5	60%	0.599	77%	0.769	S	S	*	*			trans	-57.9	103.7	156.3	-68.1	-28.1	0	0	0	102.7	K195 K199	K195-D197 PolarHBondContact O-N 3.4Å; D197-K199 PolarHBondContact O-N 2.82Å
198	L	27.6	Very low	28.9	Very low	166 Å²	166	156 Å²	156	87%	0.869	77%	0.769	S	S	*	*			trans	-53.7	99.2	167.6	-81.4	151.1	0	0	0	103.1	R196 L200	R196-L198 PolarHBondContact O-N 3.37Å; L198-L200 PolarHBondContact O-N 2.93Å
199	K	27.9	Very low	29.4	Very low	193 Å²	193	155 Å²	155	84%	0.839	77%	0.765	S	S	*	*			trans	-57.1	98.1	172.2	-73	-172.1	175.9	-169.7	0	104.1	D197 I201	D197-K199 PolarHBondContact O-N 2.82Å; K199-I201 PolarHBondContact O-N 3.08Å; K199-I201 VanDerWaalsContact O-N 3.16Å
200	L	27.2	Very low	29.8	Very low	147 Å²	147	156.6 Å²	156.6	77%	0.77	76%	0.764	S	S	*	*			trans	-38.1	125.1	147.4	-163.4	77.2	0	0	0	103.5	L198 Q202	L198-L200 PolarHBondContact O-N 2.93Å; L200-Q202 PolarHBondContact O-N 3.29Å
201	I	28.4	Very low	30.2	Very low	148 Å²	148	154.6 Å²	154.6	76%	0.759	75%	0.754	S	S	*	*			trans	-59.1	90.9	176.6	-62.2	170	0	0	0	104.5	K199 Y203	K199-I201 PolarHBondContact O-N 3.08Å; K199-I201 VanDerWaalsContact O-N 3.16Å; I201-Y203 PolarHBondContact O-N 3.06Å; I201-Y203 VanDerWaalsContact O-N 3.08Å
202	Q	23.9	Very low	30.8	Very low	163 Å²	163	154 Å²	154	76%	0.762	75%	0.746	S	S	*	*			trans	-67.9	112.1	172.3	-81.8	-172.9	-37.4	0	0	102.4	L200 D204	L200-Q202 PolarHBondContact O-N 3.29Å; Q202-D204 VanDerWaalsContact C-N 3.31Å; Q202-D204 PolarHBondContact O-N 3.11Å
203	Y	27.3	Very low	31.3	Very low	182 Å²	182	148.1 Å²	148.1	71%	0.714	73%	0.732	S	S	*	*			trans	-56.1	107	163.9	-85.7	-93.2	0	0	0	105.3	I201 E205	I201-Y203 PolarHBondContact O-N 3.06Å; I201-Y203 VanDerWaalsContact O-N 3.08Å; Y203-E205 PolarHBondContact O-N 3.01Å
204	D	29	Very low	31.7	Very low	139 Å²	139	144.8 Å²	144.8	74%	0.743	72%	0.723	S	S	*	*			trans	-59.6	95.1	168.5	-87.8	-23.5	0	0	0	106.4	Q202 T206	Q202-D204 VanDerWaalsContact C-N 3.31Å; Q202-D204 PolarHBondContact O-N 3.11Å; D204-T206 HydrophobicContact CB-CG2 4.07Å; D204-T206 PolarHBondContact O-N 3.15Å
205	E	28.4	Very low	32.7	Very low	192 Å²	192	138.3 Å²	138.3	90%	0.897	70%	0.697	S	S	*	*			trans	-68.1	66.2	161.6	-72.6	-173.7	167	0	0	107.7	Y203 S207	Y203-E205 PolarHBondContact O-N 3.01Å; E205-S207 PolarHBondContact O-N 3.46Å
206	T	30.4	Very low	33.6	Very low	77 Å²	77	132.8 Å²	132.8	47%	0.472	68%	0.676	S	S	.	*			trans	-78.1	106.3	171.5	52.5	0	0	0	0	107.6	D204 D208	D204-T206 HydrophobicContact CB-CG2 4.07Å; D204-T206 PolarHBondContact O-N 3.15Å; T206-D208 PolarHBondContact O-N 2.96Å
207	S	34.3	Very low	34.5	Very low	98 Å²	98	126.8 Å²	126.8	69%	0.685	66%	0.659	S	S	*	*			trans	-30.1	125.2	169.5	57.4	0	0	0	0	112.5	E205 N209	E205-S207 PolarHBondContact O-N 3.46Å; S207-N209 PolarHBondContact O-N 3Å
208	D	40.5	Very low	35.3	Very low	146 Å²	146	129.2 Å²	129.2	78%	0.781	67%	0.667	S	S	*	*	G	3₁₀ helix	trans	-55.5	2.4	-171.5	-89.7	-33.9	0	0	0	117.2	T206 H210	T206-D208 PolarHBondContact O-N 2.96Å; D208-H210 PolarHBondContact O-N 3.44Å
209	N	37	Very low	36.3	Very low	137 Å²	137	127.8 Å²	127.8	73%	0.733	65%	0.65	S	S	*	*	G	3₁₀ helix	trans	-78.7	-13.1	-164.9	-74.8	-17.5	0	0	0	115.4	S207	S207-N209 PolarHBondContact O-N 3Å
210	H	35.9	Very low	37.1	Very low	159 Å²	159	121.6 Å²	121.6	74%	0.736	64%	0.641	S	S	*	*	G	3₁₀ helix	trans	-127.8	41.5	-172.8	-68.7	7.2	0	0	0	115	D208 N212 N215	D208-H210 PolarHBondContact O-N 3.44Å; H210-N212 PolarHBondContact O-N 2.98Å; H210-N212 VanDerWaalsContact O-N 3.08Å; H210-N215 PolarHBondContact O-ND2 2.87Å
211	C	36.4	Very low	37.9	Very low	86 Å²	86	117.5 Å²	117.5	58%	0.581	62%	0.62	S	S	*	*			trans	-79.1	75	171.7	-81.3	0	0	0	0	112.7
212	N	38.1	Very low	38.7	Very low	119 Å²	119	112 Å²	112	64%	0.636	59%	0.591	S	S	*	*			trans	-90.9	151	165.5	-74.7	-13.9	0	0	0	111	H210 L214 N215	H210-N212 PolarHBondContact O-N 2.98Å; H210-N212 VanDerWaalsContact O-N 3.08Å; N212-L214 PolarHBondContact O-N 2.96Å; N212-L214 VanDerWaalsContact O-N 3.1Å; N212-N215 WeakPolarHBondContact O-CB 3.38Å; N212-N215 PolarHBondContact O-N 3.47Å
213	A	41.8	Very low	39.9	Very low	61 Å²	61	108 Å²	108	50%	0.504	58%	0.58	S	S	.	*	H	α-helix	trans	-56.3	-29.9	-174.5	0	0	0	0	0	114.5	N215 L216	A213-N215 PolarHBondContact O-N 3.35Å; A213-L216 WeakPolarHBondContact O-CB 3.46Å; A213-L216 PolarHBondContact O-N 2.93Å; A213-L216 VanDerWaalsContact O-N 3.08Å
214	L	37.5	Very low	40.8	Very low	131 Å²	131	105.4 Å²	105.4	69%	0.686	59%	0.588	S	S	*	*	H	α-helix	trans	-57	-30.8	172.9	-78.3	162.4	0	0	0	112.8	N212 L216 I217 Q218	N212-L214 PolarHBondContact O-N 2.96Å; N212-L214 VanDerWaalsContact O-N 3.1Å; L214-L216 VanDerWaalsContact C-N 3.31Å; L214-L216 PolarHBondContact O-N 3.3Å; L214-I217 PolarHBondContact O-N 2.91Å; L214-Q218 PolarHBondContact O-N 3.16Å
215	N	49.9	Very low	41.7	Very low	53 Å²	53	104.5 Å²	104.5	28%	0.283	58%	0.583	S	S	.	*	H	α-helix	trans	-72.9	-24.4	-179.6	-142.4	-14.5	0	0	0	111.9	H210 N212 A213 R219	H210-N215 PolarHBondContact O-ND2 2.87Å; N212-N215 WeakPolarHBondContact O-CB 3.38Å; N212-N215 PolarHBondContact O-N 3.47Å; A213-N215 PolarHBondContact O-N 3.35Å; N215-R219 WeakPolarHBondContact O-CB 3.37Å; N215-R219 WeakPolarHBondContact O-CD 3.24Å; N215-R219 WeakPolarHBondContact O-CG 3.42Å; N215-R219 PolarHBondContact O-N 3.09Å; N215-R219 VanDerWaalsContact O-N 3.15Å
216	L	45.4	Very low	42.5	Very low	56 Å²	56	97.6 Å²	97.6	29%	0.293	56%	0.559	S	S	.	*	H	α-helix	trans	-75.7	-37.4	176.9	-64.9	172	0	0	0	112	A213 L214 R219 G220 L221 I222	A213-L216 WeakPolarHBondContact O-CB 3.46Å; A213-L216 PolarHBondContact O-N 2.93Å; A213-L216 VanDerWaalsContact O-N 3.08Å; L214-L216 VanDerWaalsContact C-N 3.31Å; L214-L216 PolarHBondContact O-N 3.3Å; L216-R219 PolarHBondContact O-N 3.31Å; L216-G220 PolarHBondContact O-N 3.05Å; L216-L221 HydrophobicContact CB-CB 4.48Å; L216-L221 HydrophobicContact CD2-CB 4.46Å; L216-L221 HydrophobicContact CD2-CD1 3.7Å; L216-L221 WeakPolarHBondContact O-CB 3.27Å; L216-L221 PolarHBondContact O-N 2.85Å; L216-I222 HydrophobicContact CB-CD1 3.64Å; L216-I222 HydrophobicContact CB-CG1 4.12Å; L216-I222 HydrophobicContact CD1-CD1 4.1Å
217	I	47.2	Very low	43	Very low	97 Å²	97	102.1 Å²	102.1	50%	0.497	58%	0.575	S	S	.	*	H	α-helix	trans	-69.7	-45.1	175.5	-60.7	173.5	0	0	0	110.2	L214 R219 G220 I222	L214-I217 PolarHBondContact O-N 2.91Å; I217-R219 PolarHBondContact O-N 3.2Å; I217-G220 WeakPolarHBondContact O-CA 3.28Å; I217-G220 PolarHBondContact O-N 3.33Å; I217-I222 HydrophobicContact CG1-CB 4.28Å; I217-I222 HydrophobicContact CG1-CD1 4.26Å
218	Q	48	Very low	43.4	Very low	164 Å²	164	102.8 Å²	102.8	77%	0.766	57%	0.569	S	S	*	*	H	α-helix	trans	-61.8	-31.2	176.7	-76.4	-178	-15.1	0	0	112.9	L214 G220	L214-Q218 PolarHBondContact O-N 3.16Å; Q218-G220 PolarHBondContact O-N 3.46Å
219	R	48.1	Very low	43.3	Very low	136 Å²	136	101 Å²	101	51%	0.513	56%	0.564	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.5	-1.3	172.7	-72.1	175.7	175.5	-174.1	-4.3	113.8	N215 L216 I217 L221	N215-R219 WeakPolarHBondContact O-CB 3.37Å; N215-R219 WeakPolarHBondContact O-CD 3.24Å; N215-R219 WeakPolarHBondContact O-CG 3.42Å; N215-R219 PolarHBondContact O-N 3.09Å; N215-R219 VanDerWaalsContact O-N 3.15Å; L216-R219 PolarHBondContact O-N 3.31Å; I217-R219 PolarHBondContact O-N 3.2Å; R219-L221 VanDerWaalsContact C-N 3.28Å; R219-L221 HydrophobicContact CB-CD1 3.68Å; R219-L221 HydrophobicContact CB-CG 3.75Å; R219-L221 PolarHBondContact O-N 3.3Å
220	G	44.1	Very low	43.4	Very low	63 Å²	63	100.2 Å²	100.2	65%	0.649	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	67.4	24.9	-177.6	0	0	0	0	0	114	L216 I217 Q218	L216-G220 PolarHBondContact O-N 3.05Å; I217-G220 WeakPolarHBondContact O-CA 3.28Å; I217-G220 PolarHBondContact O-N 3.33Å; Q218-G220 PolarHBondContact O-N 3.46Å
221	L	45.2	Very low	43.7	Very low	61 Å²	61	100.2 Å²	100.2	32%	0.319	56%	0.56	S	S	.	*			trans	-90.1	-14.5	-175.6	-58.5	170	0	0	0	113.1	L216 R219 I480	L216-L221 HydrophobicContact CB-CB 4.48Å; L216-L221 HydrophobicContact CD2-CB 4.46Å; L216-L221 HydrophobicContact CD2-CD1 3.7Å; L216-L221 WeakPolarHBondContact O-CB 3.27Å; L216-L221 PolarHBondContact O-N 2.85Å; R219-L221 VanDerWaalsContact C-N 3.28Å; R219-L221 HydrophobicContact CB-CD1 3.68Å; R219-L221 HydrophobicContact CB-CG 3.75Å; R219-L221 PolarHBondContact O-N 3.3Å; L221-I480 HydrophobicContact CB-CD1 4.4Å; L221-I480 HydrophobicContact CD2-CD1 3.62Å
222	I	45.3	Very low	43.9	Very low	31 Å²	31	101.4 Å²	101.4	16%	0.159	57%	0.567	C	S	.	*	S	Bend	trans	-119.4	120.8	172.1	-60.4	165.9	0	0	0	106.3	L216 I217 S224 A226 I228	L216-I222 HydrophobicContact CB-CD1 3.64Å; L216-I222 HydrophobicContact CB-CG1 4.12Å; L216-I222 HydrophobicContact CD1-CD1 4.1Å; I217-I222 HydrophobicContact CG1-CB 4.28Å; I217-I222 HydrophobicContact CG1-CD1 4.26Å; I222-S224 PolarHBondContact O-N 2.88Å; I222-A226 HydrophobicContact CG2-CB 3.87Å; I222-I228 HydrophobicContact CD1-CD1 3.74Å; I222-I228 HydrophobicContact CG1-CD1 4.42Å; I222-I228 HydrophobicContact CG2-CD1 4.34Å
223	P	47.3	Very low	44	Very low	80 Å²	80	99.3 Å²	99.3	52%	0.519	56%	0.561	S	S	.	*			trans	-51.8	135.9	172.2	-24	33.6	0	0	0	109.6	N225 A226	P223-N225 WeakPolarHBondContact CB-OD1 3.17Å; P223-N225 PolarHBondContact O-N 3.38Å; P223-A226 HydrophobicContact CB-CB 4.33Å; P223-A226 HydrophobicContact CG-CB 4.49Å; P223-A226 WeakPolarHBondContact O-CB 3.4Å; P223-A226 PolarHBondContact O-N 3.39Å
224	S	47.3	Very low	44.1	Very low	128 Å²	128	100.2 Å²	100.2	90%	0.895	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.2	-17.1	-175.1	44.8	0	0	0	0	114.1	I222	I222-S224 PolarHBondContact O-N 2.88Å
225	N	47.6	Very low	43.8	Very low	119 Å²	119	100.8 Å²	100.8	64%	0.636	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.7	-7.5	176.4	55.4	-18.2	0	0	0	114.6	P223 Q227	P223-N225 WeakPolarHBondContact CB-OD1 3.17Å; P223-N225 PolarHBondContact O-N 3.38Å; N225-Q227 PolarHBondContact O-N 3.44Å; N225-Q227 VanDerWaalsContact O-N 3.1Å
226	A	45	Very low	43.3	Very low	48 Å²	48	106.1 Å²	106.1	40%	0.397	59%	0.586	S	S	.	*			trans	-78.6	97.2	179.4	0	0	0	0	0	110.7	I222 P223 I228	I222-A226 HydrophobicContact CG2-CB 3.87Å; P223-A226 HydrophobicContact CB-CB 4.33Å; P223-A226 HydrophobicContact CG-CB 4.49Å; P223-A226 WeakPolarHBondContact O-CB 3.4Å; P223-A226 PolarHBondContact O-N 3.39Å; A226-I228 PolarHBondContact O-N 3.28Å
227	Q	42	Very low	42.8	Very low	172 Å²	172	109.4 Å²	109.4	80%	0.804	61%	0.608	S	S	*	*			trans	-70.6	106.1	168.5	-80.8	-175.9	-14.6	0	0	109.5	N225 T229	N225-Q227 PolarHBondContact O-N 3.44Å; N225-Q227 VanDerWaalsContact O-N 3.1Å; Q227-T229 HydrophobicContact CB-CG2 4.48Å; Q227-T229 PolarHBondContact O-N 2.92Å; Q227-T229 VanDerWaalsContact O-N 3.13Å
228	I	41.4	Very low	42.2	Very low	111 Å²	111	113.6 Å²	113.6	57%	0.569	62%	0.623	S	S	*	*			trans	-80.6	88.8	169.6	-57.1	176.4	0	0	0	107.5	I222 A226 F230	I222-I228 HydrophobicContact CD1-CD1 3.74Å; I222-I228 HydrophobicContact CG1-CD1 4.42Å; I222-I228 HydrophobicContact CG2-CD1 4.34Å; A226-I228 PolarHBondContact O-N 3.28Å; I228-F230 HydrophobicContact CG2-CE2 3.98Å; I228-F230 HydrophobicContact CG2-CZ 4.15Å
229	T	38.3	Very low	41.6	Very low	109 Å²	109	111.4 Å²	111.4	67%	0.669	63%	0.626	S	S	*	*			trans	-87.2	117.9	172.1	45.3	0	0	0	0	109.6	Q227	Q227-T229 HydrophobicContact CB-CG2 4.48Å; Q227-T229 PolarHBondContact O-N 2.92Å; Q227-T229 VanDerWaalsContact O-N 3.13Å
230	F	40.2	Very low	40.7	Very low	120 Å²	120	113.4 Å²	113.4	53%	0.526	64%	0.643	S	S	.	*			trans	-82.5	115.2	163.8	-68	-80.5	0	0	0	107	I228 P232 S233	I228-F230 HydrophobicContact CG2-CE2 3.98Å; I228-F230 HydrophobicContact CG2-CZ 4.15Å; F230-P232 CarbonylContact O-C 3.49Å; F230-S233 VanDerWaalsContact O-CA 3.23Å; F230-S233 WeakPolarHBondContact O-CA 3.24Å; F230-S233 PolarHBondContact O-N 2.97Å
231	D	41.2	Very low	40.4	Very low	159 Å²	159	118.8 Å²	118.8	85%	0.85	65%	0.651	S	S	*	*	S	Bend	trans	-112.9	114	176.5	-163	11	0	0	0	110.5
232	P	41.3	Very low	39.8	Very low	112 Å²	112	123.9 Å²	123.9	73%	0.727	68%	0.678	S	S	*	*	S	Bend	cis	-80.1	149.6	-5.5	31.7	-31.8	0	0	0	112.5	F230	F230-P232 CarbonylContact O-C 3.49Å
233	S	40.2	Very low	39.3	Very low	75 Å²	75	127.7 Å²	127.7	52%	0.524	70%	0.703	S	S	.	*			trans	-63.3	123.2	-178.6	-171.7	0	0	0	0	110.2	F230 M235	F230-S233 VanDerWaalsContact O-CA 3.23Å; F230-S233 WeakPolarHBondContact O-CA 3.24Å; F230-S233 PolarHBondContact O-N 2.97Å; S233-M235 PolarHBondContact O-N 3.06Å; S233-M235 VanDerWaalsContact O-N 3.12Å
234	P	42.9	Very low	38.6	Very low	79 Å²	79	127.7 Å²	127.7	51%	0.513	70%	0.704	S	S	.	*	S	Bend	trans	-70.9	-8.3	-175.5	26.6	-33.4	0	0	0	113.6
235	M	32.6	Very low	38.4	Very low	143 Å²	143	127.2 Å²	127.2	70%	0.704	71%	0.708	S	S	*	*			trans	-115	99.4	174.1	-66.2	-169.6	70.7	0	0	109.4	S233 T237	S233-M235 PolarHBondContact O-N 3.06Å; S233-M235 VanDerWaalsContact O-N 3.12Å; M235-T237 VanDerWaalsContact C-N 3.33Å; M235-T237 PolarHBondContact O-N 3.35Å
236	Q	38.8	Very low	37.8	Very low	165 Å²	165	126.6 Å²	126.6	77%	0.771	71%	0.713	S	S	*	*			trans	-71.3	93.4	161	-72.2	-176.8	-3.3	0	0	107.8	K238	Q236-K238 PolarHBondContact O-N 3.42Å
237	T	34.5	Very low	37.4	Very low	125 Å²	125	128.4 Å²	128.4	77%	0.767	72%	0.719	S	S	*	*			trans	-69.2	95.6	168.7	45.3	0	0	0	0	108.4	M235 S239	M235-T237 VanDerWaalsContact C-N 3.33Å; M235-T237 PolarHBondContact O-N 3.35Å; T237-S239 PolarHBondContact O-N 3Å
238	K	35.9	Very low	36.8	Very low	185 Å²	185	130.6 Å²	130.6	80%	0.804	73%	0.726	S	S	*	*			trans	-76.3	114.7	161.9	-78.6	-172.4	175.9	-175.5	0	107.8	Q236 M240	Q236-K238 PolarHBondContact O-N 3.42Å; K238-M240 PolarHBondContact O-N 3.5Å; K238-M240 VanDerWaalsContact O-N 3.15Å
239	S	35.4	Very low	36.3	Very low	118 Å²	118	132.2 Å²	132.2	83%	0.825	74%	0.735	S	S	*	*			trans	-62.1	109.7	166.1	29.1	0	0	0	0	108.4	T237 H241	T237-S239 PolarHBondContact O-N 3Å; S239-H241 PolarHBondContact O-N 3.23Å
240	M	29.2	Very low	36.1	Very low	178 Å²	178	132.4 Å²	132.4	88%	0.877	74%	0.738	S	S	*	*			trans	-82.8	110.8	176	-167.8	169	55.2	0	0	107.6	K238 L242	K238-M240 PolarHBondContact O-N 3.5Å; K238-M240 VanDerWaalsContact O-N 3.15Å; M240-L242 PolarHBondContact O-N 2.92Å
241	H	36.7	Very low	35.6	Very low	176 Å²	176	136.1 Å²	136.1	82%	0.815	76%	0.757	S	S	*	*			trans	-61.6	119.7	171.4	-111.5	-85.8	0	0	0	108.2	S239 V243	S239-H241 PolarHBondContact O-N 3.23Å; H241-V243 PolarHBondContact O-N 2.75Å
242	L	32.8	Very low	35.1	Very low	168 Å²	168	137.2 Å²	137.2	88%	0.88	76%	0.757	S	S	*	*			trans	-62.8	108.5	168.4	-114.5	115.7	0	0	0	107.2	M240 S244	M240-L242 PolarHBondContact O-N 2.92Å; L242-S244 PolarHBondContact O-N 3.08Å
243	V	34.4	Very low	34.8	Very low	112 Å²	112	137 Å²	137	68%	0.679	76%	0.758	S	S	*	*			trans	-67.7	116.9	175.8	179.1	0	0	0	0	107.4	H241	H241-V243 PolarHBondContact O-N 2.75Å
244	S	34	Very low	34.3	Very low	79 Å²	79	139.4 Å²	139.4	55%	0.552	76%	0.764	S	S	*	*			trans	-68.8	144.8	172.8	50.2	0	0	0	0	109.8	L242 S246	L242-S244 PolarHBondContact O-N 3.08Å; S244-S246 PolarHBondContact O-N 3.33Å
245	A	41.7	Very low	33.8	Very low	118 Å²	118	139.2 Å²	139.2	98%	0.975	76%	0.761	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.4	2.7	-166.2	0	0	0	0	0	116.6
246	S	34.9	Very low	34.1	Very low	107 Å²	107	139.3 Å²	139.3	75%	0.748	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.7	6.7	-171.8	56.4	0	0	0	0	115.6	S244	S244-S246 PolarHBondContact O-N 3.33Å
247	T	36.5	Very low	34.1	Very low	86 Å²	86	136.1 Å²	136.1	53%	0.528	76%	0.759	S	S	.	*			trans	-112.6	90.6	176.3	24.6	0	0	0	0	112.1	L249	T247-L249 PolarHBondContact O-N 3.12Å; T247-L249 VanDerWaalsContact O-N 3.15Å
248	K	30.7	Very low	34.4	Very low	217 Å²	217	135.6 Å²	135.6	94%	0.943	75%	0.751	S	S	*	*			trans	-68.7	99.4	160.3	-73.8	-174.5	177.3	-177.2	0	108.2
249	L	30.4	Very low	34.5	Very low	146 Å²	146	131.5 Å²	131.5	76%	0.764	74%	0.738	S	S	*	*			trans	-81.8	136.4	169.4	-87.2	151	0	0	0	109.4	T247	T247-L249 PolarHBondContact O-N 3.12Å; T247-L249 VanDerWaalsContact O-N 3.15Å
250	P	33.9	Very low	34.1	Very low	112 Å²	112	128.5 Å²	128.5	73%	0.727	72%	0.716	S	S	*	*			trans	-68.4	138.2	-178.6	-9.5	24.5	0	0	0	110.6	Q252	P250-Q252 PolarHBondContact O-N 3.38Å
251	H	30.1	Very low	34.3	Very low	198 Å²	198	124.4 Å²	124.4	92%	0.917	70%	0.703	S	S	*	*			trans	-55.8	96.6	176.9	-71.6	-80	0	0	0	111.6
252	Q	30.4	Very low	34	Very low	183 Å²	183	122.6 Å²	122.6	86%	0.855	70%	0.704	S	S	*	*			trans	-83.4	126.9	158.7	-82.9	-177.1	-18	0	0	108.8	P250 I254	P250-Q252 PolarHBondContact O-N 3.38Å; Q252-I254 PolarHBondContact O-N 2.96Å
253	S	34.4	Very low	33.9	Very low	106 Å²	106	123.6 Å²	123.6	74%	0.741	70%	0.697	S	S	*	*			trans	-61.2	113	177.1	51.4	0	0	0	0	110.4	T255	S253-T255 PolarHBondContact O-N 3.19Å
254	I	29.7	Very low	33.7	Very low	127 Å²	127	126.2 Å²	126.2	65%	0.651	70%	0.702	S	S	*	*			trans	-61.3	116.4	175.6	-59.8	168.3	0	0	0	108.1	Q252 D258 L259	Q252-I254 PolarHBondContact O-N 2.96Å; I254-D258 HydrophobicContact CG2-CB 4.15Å; I254-L259 HydrophobicContact CG2-CD1 3.97Å; I254-L259 HydrophobicContact CG2-CG 3.99Å
255	T	33.2	Very low	33.5	Very low	74 Å²	74	128.3 Å²	128.3	45%	0.454	71%	0.714	S	S	.	*			trans	-85.4	152.9	177.2	55.9	0	0	0	0	110.6	S253 S257 D258	S253-T255 PolarHBondContact O-N 3.19Å; T255-S257 PolarHBondContact O-N 3.44Å; T255-D258 PolarHBondContact N-OD2 2.87Å; T255-D258 VanDerWaalsContact N-OD2 3.12Å; T255-D258 WeakPolarHBondContact O-CB 3.42Å; T255-D258 PolarHBondContact O-N 3.37Å; T255-D258 PolarHBondContact OG1-OD2 3.4Å
256	I	39.4	Very low	32.9	Very low	145 Å²	145	128.6 Å²	128.6	74%	0.744	70%	0.704	S	S	*	*	H	α-helix	trans	-55.4	-29.2	-177.3	-68.2	171.3	0	0	0	111.9	D258 L259	I256-D258 PolarHBondContact O-N 3.41Å; I256-L259 PolarHBondContact O-N 2.89Å
257	S	37.5	Very low	32.6	Very low	98 Å²	98	131.3 Å²	131.3	69%	0.685	71%	0.71	S	S	*	*	H	α-helix	trans	-60.3	-29.8	174.8	-48.2	0	0	0	0	113.3	T255 L259	T255-S257 PolarHBondContact O-N 3.44Å; S257-L259 VanDerWaalsContact C-N 3.32Å; S257-L259 PolarHBondContact O-N 3.33Å
258	D	41.7	Very low	32.4	Very low	114 Å²	114	134.4 Å²	134.4	61%	0.61	72%	0.721	S	S	*	*	H	α-helix	trans	-77.7	-18.2	-179.7	-58.4	-47.7	0	0	0	112.7	I254 T255 I256	I254-D258 HydrophobicContact CG2-CB 4.15Å; T255-D258 PolarHBondContact N-OD2 2.87Å; T255-D258 VanDerWaalsContact N-OD2 3.12Å; T255-D258 WeakPolarHBondContact O-CB 3.42Å; T255-D258 PolarHBondContact O-N 3.37Å; T255-D258 PolarHBondContact OG1-OD2 3.4Å; I256-D258 PolarHBondContact O-N 3.41Å
259	L	36.5	Very low	32.4	Very low	100 Å²	100	131.6 Å²	131.6	52%	0.524	72%	0.716	S	S	.	*	H	α-helix	trans	-100.8	-11.8	-173.9	-72.7	167.4	0	0	0	114.4	I254 I256 S257 R454	I254-L259 HydrophobicContact CG2-CD1 3.97Å; I254-L259 HydrophobicContact CG2-CG 3.99Å; I256-L259 PolarHBondContact O-N 2.89Å; S257-L259 VanDerWaalsContact C-N 3.32Å; S257-L259 PolarHBondContact O-N 3.33Å; L259-R454 PolarHBondContact O-NH2 2.74Å
260	C	28.7	Very low	32.3	Very low	54 Å²	54	133.7 Å²	133.7	37%	0.365	72%	0.722	S	S	.	*			trans	-137.3	90.1	-176.6	-75.6	0	0	0	0	110.1	V262	C260-V262 PolarHBondContact O-N 2.99Å
261	P	33.5	Very low	32	Very low	93 Å²	93	134.1 Å²	134.1	60%	0.604	72%	0.722	S	S	*	*			trans	-60	113.6	167.6	23.9	-30.4	0	0	0	108	Y263	P261-Y263 VanDerWaalsContact C-N 3.34Å; P261-Y263 HydrophobicContact CB-CD2 4.32Å; P261-Y263 HydrophobicContact CB-CE2 4.2Å; P261-Y263 HydrophobicContact CG-CD2 4.28Å; P261-Y263 HydrophobicContact CG-CE2 3.96Å; P261-Y263 PolarHBondContact O-N 2.92Å
262	V	29.2	Very low	32	Very low	137 Å²	137	130.2 Å²	130.2	83%	0.83	71%	0.714	S	S	*	*			trans	-64.3	98.2	169.4	178.9	0	0	0	0	106.1	C260 E264	C260-V262 PolarHBondContact O-N 2.99Å; V262-E264 PolarHBondContact O-N 3.2Å
263	Y	31.7	Very low	31.9	Very low	190 Å²	190	130.9 Å²	130.9	75%	0.745	71%	0.714	S	S	*	*			trans	-76.3	105.4	171	-89.8	-89.6	0	0	0	107.6	P261	P261-Y263 VanDerWaalsContact C-N 3.34Å; P261-Y263 HydrophobicContact CB-CD2 4.32Å; P261-Y263 HydrophobicContact CB-CE2 4.2Å; P261-Y263 HydrophobicContact CG-CD2 4.28Å; P261-Y263 HydrophobicContact CG-CE2 3.96Å; P261-Y263 PolarHBondContact O-N 2.92Å
264	E	29.1	Very low	31.6	Very low	166 Å²	166	131.8 Å²	131.8	78%	0.776	72%	0.718	S	S	*	*			trans	-59.7	128.8	165.9	-81.4	-175	157.3	0	0	109.1	V262 T266	V262-E264 PolarHBondContact O-N 3.2Å; E264-T266 PolarHBondContact O-N 3.22Å
265	P	30.6	Very low	31.5	Very low	123 Å²	123	133 Å²	133	80%	0.799	72%	0.724	S	S	*	*			trans	-71.6	95.9	-179	28.4	-30.9	0	0	0	108.8	N267	P265-N267 PolarHBondContact O-N 2.81Å; P265-N267 VanDerWaalsContact O-N 3.14Å
266	T	29.2	Very low	31.2	Very low	125 Å²	125	135.9 Å²	135.9	77%	0.767	74%	0.742	S	S	*	*			trans	-57.5	117.6	168.2	45.2	0	0	0	0	109	E264 I268	E264-T266 PolarHBondContact O-N 3.22Å; T266-I268 PolarHBondContact O-N 3.14Å
267	N	28.8	Very low	30.5	Very low	164 Å²	164	134.3 Å²	134.3	88%	0.877	74%	0.742	S	S	*	*			trans	-33.3	96.2	177	-75.2	-33.7	0	0	0	112.8	P265 L269	P265-N267 PolarHBondContact O-N 2.81Å; P265-N267 VanDerWaalsContact O-N 3.14Å; N267-L269 PolarHBondContact O-N 2.9Å
268	I	31.2	Very low	30	Very low	150 Å²	150	139.2 Å²	139.2	77%	0.769	75%	0.751	S	S	*	*			trans	-77	102.6	167.9	-61.1	175.8	0	0	0	105.3	T266 E270	T266-I268 PolarHBondContact O-N 3.14Å; I268-E270 PolarHBondContact O-N 3.1Å
269	L	30.7	Very low	29.2	Very low	159 Å²	159	143.9 Å²	143.9	83%	0.832	77%	0.766	S	S	*	*			trans	-40	123.5	166.3	-82.8	151.5	0	0	0	109.6	N267 V271	N267-L269 PolarHBondContact O-N 2.9Å; L269-V271 PolarHBondContact O-N 3.01Å
270	E	28.1	Very low	28.7	Very low	189 Å²	189	148.7 Å²	148.7	88%	0.883	78%	0.783	S	S	*	*			trans	-48.3	110.6	-177.7	-69.9	-177.1	140.5	0	0	111	I268 P272	I268-E270 PolarHBondContact O-N 3.1Å; E270-P272 WeakPolarHBondContact O-CD 3.47Å
271	V	28.7	Very low	28.5	Very low	122 Å²	122	151.8 Å²	151.8	74%	0.739	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-73.2	116.3	169.1	179.4	0	0	0	0	106.9	L269 K273	L269-V271 PolarHBondContact O-N 3.01Å; V271-K273 PolarHBondContact O-N 3Å
272	P	29.5	Very low	28	Very low	116 Å²	116	159.1 Å²	159.1	75%	0.753	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-65.5	133.9	-175.3	23.7	-30	0	0	0	110.5	E270	E270-P272 WeakPolarHBondContact O-CD 3.47Å
273	K	28.6	Very low	27.8	Very low	196 Å²	196	157.4 Å²	157.4	85%	0.852	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-55.7	144.7	-173.8	-69.1	172.8	-179.6	171.2	0	111.6	V271 I275	V271-K273 PolarHBondContact O-N 3Å; K273-I275 PolarHBondContact O-N 2.89Å
274	P	27.9	Very low	27.4	Very low	125 Å²	125	154.5 Å²	154.5	81%	0.812	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-68.2	123.1	-171.1	-9.7	25	0	0	0	110.7	T276	P274-T276 PolarHBondContact O-N 3.35Å; P274-T276 VanDerWaalsContact O-N 3.16Å
275	I	28.1	Very low	27.3	Very low	154 Å²	154	154.4 Å²	154.4	79%	0.79	82%	0.821	S	S	*	*			trans	-61.9	115.4	171.4	-62.6	169.5	0	0	0	107.8	K273 C277	K273-I275 PolarHBondContact O-N 2.89Å; I275-C277 VanDerWaalsContact C-N 3.32Å; I275-C277 PolarHBondContact O-N 2.91Å
276	T	26.1	Very low	27.1	Very low	133 Å²	133	152.8 Å²	152.8	82%	0.816	81%	0.812	S	S	*	*			trans	-67	86.1	173.4	30.5	0	0	0	0	109.9	P274 K278	P274-T276 PolarHBondContact O-N 3.35Å; P274-T276 VanDerWaalsContact O-N 3.16Å; T276-K278 PolarHBondContact O-N 3.32Å; T276-K278 VanDerWaalsContact O-N 3.07Å
277	C	24.7	Very low	27	Very low	113 Å²	113	154.7 Å²	154.7	76%	0.764	82%	0.818	S	S	*	*			trans	-66.8	106.2	171	-72.3	0	0	0	0	110	I275 K279	I275-C277 VanDerWaalsContact C-N 3.32Å; I275-C277 PolarHBondContact O-N 2.91Å; C277-K279 PolarHBondContact O-N 3.18Å
278	K	27.7	Very low	27	Very low	201 Å²	201	152.2 Å²	152.2	87%	0.874	81%	0.814	S	S	*	*			trans	-55.6	122.9	172.6	-72.1	-179.1	176	178.8	0	110.3	T276 K280	T276-K278 PolarHBondContact O-N 3.32Å; T276-K278 VanDerWaalsContact O-N 3.07Å; K278-K280 PolarHBondContact O-N 2.84Å
279	K	25.7	Very low	26.7	Very low	212 Å²	212	155.5 Å²	155.5	92%	0.922	82%	0.822	S	S	*	*			trans	-53.1	104.6	172.4	-71.6	177.7	176.4	177.6	0	109.8	C277	C277-K279 PolarHBondContact O-N 3.18Å
280	K	25.3	Very low	26.5	Very low	200 Å²	200	153.4 Å²	153.4	87%	0.87	82%	0.821	S	S	*	*			trans	-90.7	107.8	161.7	-84	-174.1	175.3	-178.9	0	108	K278 R282	K278-K280 PolarHBondContact O-N 2.84Å; K280-R282 PolarHBondContact O-N 3.19Å
281	S	23.6	Very low	26.4	Very low	120 Å²	120	149 Å²	149	84%	0.839	82%	0.816	S	S	*	*			trans	-51.5	119.6	165.2	46.4	0	0	0	0	110.4
282	R	24.4	Very low	26.3	Very low	246 Å²	246	149 Å²	149	93%	0.928	82%	0.817	S	S	*	*			trans	-132.2	125.5	161.6	-150.1	173	-171.6	173.7	1.5	109.1	K280	K280-R282 PolarHBondContact O-N 3.19Å
283	S	24.2	Very low	26.1	Very low	101 Å²	101	149.8 Å²	149.8	71%	0.706	82%	0.819	S	S	*	*			trans	-71.6	142.3	-168.6	48.6	0	0	0	0	114.3
284	V	24.4	Very low	26	Very low	129 Å²	129	148.5 Å²	148.5	78%	0.782	82%	0.815	S	S	*	*			trans	51.3	111.6	133.1	-171.3	0	0	0	0	118
285	L	26.6	Very low	25.9	Very low	165 Å²	165	150.1 Å²	150.1	86%	0.864	82%	0.818	S	S	*	*			trans	-161.1	98.2	140.8	-105.1	139.6	0	0	0	111.4
286	S	26.9	Very low	25.9	Very low	89 Å²	89	148.6 Å²	148.6	62%	0.622	82%	0.815	S	S	*	*			trans	42.9	104.9	141.2	62.1	0	0	0	0	121.7
287	D	25.9	Very low	26	Very low	164 Å²	164	147.3 Å²	147.3	88%	0.877	81%	0.812	S	S	*	*				40.2	106.1	120.3	-62.6	-14.6	0	0	0	120
288	S	28.1	Very low	26.1	Very low	113 Å²	113	151.1 Å²	151.1	79%	0.79	82%	0.815	S	S	*	*			trans	-141.9	105	153.1	-59	0	0	0	0	108.5	S290	S288-S290 PolarHBondContact O-N 3.49Å
289	K	25.1	Very low	26.2	Very low	219 Å²	219	147 Å²	147	95%	0.952	81%	0.809	S	S	*	*			trans	-47.8	116.3	178.5	-65.7	172.8	176.8	176.6	0	111.1
290	S	27	Very low	26.1	Very low	115 Å²	115	144.1 Å²	144.1	80%	0.804	80%	0.803	S	S	*	*			trans	-134.7	139.7	162.6	54.8	0	0	0	0	109.4	S288	S288-S290 PolarHBondContact O-N 3.49Å
291	A	26.5	Very low	26.3	Very low	95 Å²	95	145.8 Å²	145.8	79%	0.785	80%	0.804	S	S	*	*			trans	-63.9	138.7	-152.6	0	0	0	0	0	114.6	V293	A291-V293 PolarHBondContact O-N 3.46Å; A291-V293 VanDerWaalsContact O-N 3.1Å
292	V	25.7	Very low	26.4	Very low	123 Å²	123	146.8 Å²	146.8	75%	0.745	80%	0.8	S	S	*	*			trans	-60.3	104.7	172	176.7	0	0	0	0	109.1
293	V	26.7	Very low	26.5	Very low	132 Å²	132	139.5 Å²	139.5	80%	0.8	79%	0.792	S	S	*	*			trans	-80	112.9	161.6	177.4	0	0	0	0	106.1	A291 D295	A291-V293 PolarHBondContact O-N 3.46Å; A291-V293 VanDerWaalsContact O-N 3.1Å; V293-D295 PolarHBondContact O-N 3.4Å
294	H	24.9	Very low	26.7	Very low	169 Å²	169	142.7 Å²	142.7	78%	0.782	80%	0.796	S	S	*	*			trans	-59.1	104.5	174.6	-81.6	-79	0	0	0	109.9	V296	H294-V296 PolarHBondContact O-N 3.08Å
295	D	26	Very low	26.8	Very low	160 Å²	160	141 Å²	141	86%	0.856	79%	0.79	S	S	*	*			trans	-77.6	113.7	171.8	-153.9	-0.2	0	0	0	108.1	V293 S297	V293-D295 PolarHBondContact O-N 3.4Å; D295-S297 PolarHBondContact O-N 3.21Å; D295-S297 VanDerWaalsContact O-N 3.09Å
296	V	28.9	Very low	26.7	Very low	121 Å²	121	138.6 Å²	138.6	73%	0.733	78%	0.782	S	S	*	*			trans	-72	104.8	179	173.9	0	0	0	0	107.8	H294 K298	H294-V296 PolarHBondContact O-N 3.08Å; V296-K298 PolarHBondContact O-N 2.88Å; V296-K298 VanDerWaalsContact O-N 3.16Å
297	S	27.2	Very low	26.6	Very low	107 Å²	107	142.8 Å²	142.8	75%	0.748	79%	0.789	S	S	*	*			trans	-18.1	105.5	163.4	54.2	0	0	0	0	114.3	D295	D295-S297 PolarHBondContact O-N 3.21Å; D295-S297 VanDerWaalsContact O-N 3.09Å
298	K	27.5	Very low	26.6	Very low	193 Å²	193	141.1 Å²	141.1	84%	0.839	78%	0.779	S	S	*	*			trans	-80.1	131.1	158.8	-75.5	176.6	179	168.2	0	107.9	V296 D300	V296-K298 PolarHBondContact O-N 2.88Å; V296-K298 VanDerWaalsContact O-N 3.16Å; K298-D300 PolarHBondContact O-N 3.1Å
299	P	28.8	Very low	26.4	Very low	114 Å²	114	141.8 Å²	141.8	74%	0.74	78%	0.779	S	S	*	*			trans	-73.2	120.8	179.3	28.9	-30.4	0	0	0	109.5	R301	P299-R301 PolarHBondContact O-N 3.23Å; P299-R301 VanDerWaalsContact O-N 3.08Å
300	D	25.4	Very low	26.4	Very low	151 Å²	151	138.8 Å²	138.8	81%	0.807	77%	0.768	S	S	*	*			trans	-54.2	107.6	170.4	-82.4	-39.2	0	0	0	110.1	K298	K298-D300 PolarHBondContact O-N 3.1Å
301	R	27.8	Very low	26.3	Very low	236 Å²	236	139.9 Å²	139.9	89%	0.891	77%	0.77	S	S	*	*			trans	-93.9	89.3	160.3	-73.8	-172.8	176	-173.6	-1.5	107.1	P299 A303	P299-R301 PolarHBondContact O-N 3.23Å; P299-R301 VanDerWaalsContact O-N 3.08Å; R301-A303 VanDerWaalsContact C-N 3.31Å; R301-A303 PolarHBondContact O-N 2.83Å
302	N	26.3	Very low	26.2	Very low	141 Å²	141	139.9 Å²	139.9	75%	0.754	76%	0.764	S	S	*	*			trans	-60.5	95.1	163.9	-79.3	-14.9	0	0	0	108.5	E304	N302-E304 VanDerWaalsContact C-N 3.29Å; N302-E304 PolarHBondContact O-N 2.83Å
303	A	27.7	Very low	26.2	Very low	92 Å²	92	140.2 Å²	140.2	76%	0.76	77%	0.767	S	S	*	*			trans	-86.6	75.6	166.1	0	0	0	0	0	108	R301 S305	R301-A303 VanDerWaalsContact C-N 3.31Å; R301-A303 PolarHBondContact O-N 2.83Å; A303-S305 PolarHBondContact O-N 3.15Å; A303-S305 VanDerWaalsContact O-N 3.11Å
304	E	26.6	Very low	26.2	Very low	169 Å²	169	140.4 Å²	140.4	79%	0.79	77%	0.768	S	S	*	*			trans	-68	103.7	160.4	-77.9	-176.3	164.6	0	0	107.3	N302 V306	N302-E304 VanDerWaalsContact C-N 3.29Å; N302-E304 PolarHBondContact O-N 2.83Å; E304-V306 PolarHBondContact O-N 3.15Å
305	S	26.5	Very low	26.1	Very low	92 Å²	92	137.5 Å²	137.5	64%	0.643	77%	0.767	S	S	*	*			trans	-74.9	90.8	173.9	37.9	0	0	0	0	108.2	A303 F307	A303-S305 PolarHBondContact O-N 3.15Å; A303-S305 VanDerWaalsContact O-N 3.11Å; S305-F307 VanDerWaalsContact C-N 3.33Å; S305-F307 PolarHBondContact O-N 3.27Å
306	V	25.4	Very low	26.1	Very low	116 Å²	116	138.8 Å²	138.8	70%	0.703	77%	0.765	S	S	*	*			trans	-69.8	95.1	165.4	-178.4	0	0	0	0	107.1	E304 I308	E304-V306 PolarHBondContact O-N 3.15Å; V306-I308 HydrophobicContact CG1-CG1 4.01Å; V306-I308 PolarHBondContact O-N 3.47Å
307	F	25.8	Very low	25.8	Very low	177 Å²	177	144.8 Å²	144.8	78%	0.776	77%	0.774	S	S	*	*			trans	-66.6	95.8	166.2	-82.8	-93.1	0	0	0	108	S305 T309	S305-F307 VanDerWaalsContact C-N 3.33Å; S305-F307 PolarHBondContact O-N 3.27Å; F307-T309 VanDerWaalsContact C-N 3.32Å; F307-T309 PolarHBondContact O-N 3.28Å
308	I	25.5	Very low	25.7	Very low	129 Å²	129	148.2 Å²	148.2	66%	0.662	78%	0.778	S	S	*	*			trans	-74.8	93.6	165.2	-58.3	177.8	0	0	0	106.7	V306 E310	V306-I308 HydrophobicContact CG1-CG1 4.01Å; V306-I308 PolarHBondContact O-N 3.47Å; I308-E310 VanDerWaalsContact C-N 3.32Å; I308-E310 HydrophobicContact CG2-CB 4.3Å; I308-E310 HydrophobicContact CG2-CG 3.86Å; I308-E310 PolarHBondContact O-N 3.34Å
309	T	24.3	Very low	25.7	Very low	127 Å²	127	144 Å²	144	78%	0.779	78%	0.78	S	S	*	*			trans	-74.8	86.3	162.1	41	0	0	0	0	108.4	F307	F307-T309 VanDerWaalsContact C-N 3.32Å; F307-T309 PolarHBondContact O-N 3.28Å
310	E	24.7	Very low	25.5	Very low	155 Å²	155	143.8 Å²	143.8	72%	0.724	78%	0.781	S	S	*	*			trans	-100.6	103.7	161.1	-84.9	-175.4	178.5	0	0	109	I308 S312	I308-E310 VanDerWaalsContact C-N 3.32Å; I308-E310 HydrophobicContact CG2-CB 4.3Å; I308-E310 HydrophobicContact CG2-CG 3.86Å; I308-E310 PolarHBondContact O-N 3.34Å; E310-S312 VanDerWaalsContact C-N 3.29Å; E310-S312 PolarHBondContact O-N 2.92Å
311	T	24.1	Very low	25.7	Very low	139 Å²	139	140.9 Å²	140.9	85%	0.853	77%	0.772	S	S	*	*			trans	-65.3	86.4	163.2	41.2	0	0	0	0	108.9	T313	T311-T313 PolarHBondContact O-N 3.48Å
312	S	24.1	Very low	25.7	Very low	95 Å²	95	139 Å²	139	66%	0.664	77%	0.771	S	S	*	*			trans	-84.7	102.4	172.2	-44.4	0	0	0	0	109.3	E310 V314	E310-S312 VanDerWaalsContact C-N 3.29Å; E310-S312 PolarHBondContact O-N 2.92Å; S312-V314 PolarHBondContact O-N 2.85Å
313	T	25.9	Very low	25.7	Very low	130 Å²	130	137.2 Å²	137.2	80%	0.798	78%	0.775	S	S	*	*			trans	-48.2	131.6	162.3	39.4	0	0	0	0	109.9	T311 S315	T311-T313 PolarHBondContact O-N 3.48Å; T313-S315 PolarHBondContact O-N 3.39Å
314	V	26.1	Very low	25.7	Very low	135 Å²	135	138.9 Å²	138.9	82%	0.818	78%	0.776	S	S	*	*			trans	-63.7	81.9	179.3	179	0	0	0	0	109.1	S312 K316	S312-V314 PolarHBondContact O-N 2.85Å; V314-K316 PolarHBondContact O-N 2.95Å
315	S	24.7	Very low	26	Very low	109 Å²	109	136.1 Å²	136.1	76%	0.762	77%	0.773	S	S	*	*			trans	-79	98.1	166.9	-161.7	0	0	0	0	106.9	T313 R317	T313-S315 PolarHBondContact O-N 3.39Å; S315-R317 VanDerWaalsContact C-N 3.27Å; S315-R317 PolarHBondContact O-N 2.69Å
316	K	25.4	Very low	26.1	Very low	187 Å²	187	137.4 Å²	137.4	81%	0.813	78%	0.779	S	S	*	*			trans	-51.6	91.9	167.3	-75.4	176.8	175	176.8	0	108.3	V314 Q318	V314-K316 PolarHBondContact O-N 2.95Å; K316-Q318 VanDerWaalsContact C-N 3.29Å; K316-Q318 PolarHBondContact O-N 2.88Å
317	R	22.8	Very low	26.4	Very low	247 Å²	247	137.7 Å²	137.7	93%	0.932	78%	0.783	S	S	*	*			trans	-64.7	100	159.5	-92.3	-175	175.5	-174.1	-0.8	106.3	S315 A319	S315-R317 VanDerWaalsContact C-N 3.27Å; S315-R317 PolarHBondContact O-N 2.69Å; R317-A319 PolarHBondContact O-N 3.17Å
318	Q	24.6	Very low	26.4	Very low	179 Å²	179	134.8 Å²	134.8	84%	0.836	78%	0.784	S	S	*	*			trans	-47.2	128.9	165.8	-71.7	171.6	-22	0	0	108.2	K316 S320	K316-Q318 VanDerWaalsContact C-N 3.29Å; K316-Q318 PolarHBondContact O-N 2.88Å; Q318-S320 VanDerWaalsContact C-N 3.31Å; Q318-S320 PolarHBondContact O-N 3.23Å
319	A	26.8	Very low	26.5	Very low	105 Å²	105	134 Å²	134	87%	0.868	79%	0.785	S	S	*	*			trans	-58.5	96.3	171.2	0	0	0	0	0	108.3	R317 S321	R317-A319 PolarHBondContact O-N 3.17Å; A319-S321 VanDerWaalsContact C-N 3.28Å; A319-S321 PolarHBondContact O-N 2.91Å
320	S	25.7	Very low	26.9	Very low	109 Å²	109	133.6 Å²	133.6	76%	0.762	78%	0.784	S	S	*	*			trans	-66.7	93.2	170.5	169.3	0	0	0	0	107.9	Q318	Q318-S320 VanDerWaalsContact C-N 3.31Å; Q318-S320 PolarHBondContact O-N 3.23Å
321	S	28.3	Very low	27.2	Very low	90 Å²	90	131.7 Å²	131.7	63%	0.629	78%	0.783	S	S	*	*			trans	25.8	116.9	140.8	58.4	0	0	0	0	117.4	A319	A319-S321 VanDerWaalsContact C-N 3.28Å; A319-S321 PolarHBondContact O-N 2.91Å
322	K	28	Very low	27.5	Very low	197 Å²	197	131.3 Å²	131.3	86%	0.857	78%	0.781	S	S	*	*			trans	37.3	94	143	-73.9	180	173.4	-179.1	0	114.4	T324	K322-T324 PolarHBondContact O-N 3.17Å
323	A	27.6	Very low	27.9	Very low	102 Å²	102	131.4 Å²	131.4	84%	0.843	78%	0.778	S	S	*	*			trans	-52.3	111	155.4	0	0	0	0	0	107.9
324	T	26.9	Very low	28.2	Very low	127 Å²	127	130.2 Å²	130.2	78%	0.779	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-62.4	123.6	172.4	31.2	0	0	0	0	108	K322	K322-T324 PolarHBondContact O-N 3.17Å
325	P	32	Very low	28.4	Very low	112 Å²	112	127.6 Å²	127.6	73%	0.727	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-63.7	148.3	177.3	25.8	-31.3	0	0	0	109.6
326	P	29.8	Very low	29.5	Very low	118 Å²	118	128.2 Å²	128.2	77%	0.766	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-61.7	146.2	-176	26	-32.7	0	0	0	110.7	C328	P326-C328 PolarHBondContact O-N 3.32Å
327	P	30.7	Very low	30.3	Very low	122 Å²	122	126.7 Å²	126.7	79%	0.792	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-79.6	117.8	-175.1	31	-30.8	0	0	0	110.3
328	C	26.3	Very low	32.1	Very low	117 Å²	117	116.7 Å²	116.7	79%	0.791	74%	0.739	S	S	*	*			trans	-174.9	120.5	135.3	-102.4	0	0	0	0	113	P326	P326-C328 PolarHBondContact O-N 3.32Å
329	T	28.1	Very low	34.4	Very low	113 Å²	113	112.3 Å²	112.3	69%	0.693	72%	0.721	S	S	*	*			trans	50.5	118.5	140.1	29	0	0	0	0	120.3	V331	T329-V331 PolarHBondContact O-N 3.33Å; T329-V331 VanDerWaalsContact O-N 3.15Å
330	P	32.7	Very low	37	Very low	117 Å²	117	108.2 Å²	108.2	76%	0.76	68%	0.684	S	S	*	*			trans	-74.3	109.7	178.7	32.5	-29.8	0	0	0	108.4	T332	P330-T332 PolarHBondContact O-N 2.87Å
331	V	30.8	Very low	39.9	Very low	115 Å²	115	107.8 Å²	107.8	70%	0.697	67%	0.665	S	S	*	*			trans	-97.3	82.4	163.3	179.9	0	0	0	0	106.9	T329 T333	T329-V331 PolarHBondContact O-N 3.33Å; T329-V331 VanDerWaalsContact O-N 3.15Å; V331-T333 HydrophobicContact CG1-CG2 4.3Å; V331-T333 WeakPolarHBondContact CG1-OG1 3.23Å; V331-T333 PolarHBondContact O-N 2.99Å
332	T	29.9	Very low	42.8	Very low	132 Å²	132	103.5 Å²	103.5	81%	0.81	64%	0.636	S	S	*	*			trans	-69.9	74.4	157.5	-41.1	0	0	0	0	107.4	P330	P330-T332 PolarHBondContact O-N 2.87Å
333	T	32.4	Very low	45.7	Very low	97 Å²	97	96.2 Å²	96.2	60%	0.595	61%	0.608	S	S	*	*			trans	-127	95	155.1	52.6	0	0	0	0	106.1	V331 S335	V331-T333 HydrophobicContact CG1-CG2 4.3Å; V331-T333 WeakPolarHBondContact CG1-OG1 3.23Å; V331-T333 PolarHBondContact O-N 2.99Å; T333-S335 PolarHBondContact O-N 3.39Å
334	A	31.8	Very low	48.5	Very low	104 Å²	104	91.4 Å²	91.4	86%	0.86	57%	0.568	S	S	*	*			trans	-55.3	83.9	153.9	0	0	0	0	0	106.9	P336	A334-P336 WeakPolarHBondContact O-CD 3.35Å
335	S	31.8	Very low	51	Low	80 Å²	80	91.2 Å²	91.2	56%	0.559	56%	0.558	S	S	*	*			trans	-74.3	122.9	168.5	39.9	0	0	0	0	104.9	T333 H337	T333-S335 PolarHBondContact O-N 3.39Å; S335-H337 PolarHBondContact O-N 2.9Å
336	P	46.8	Very low	53.3	Low	122 Å²	122	93.2 Å²	93.2	79%	0.792	56%	0.558	S	S	*	*	S	Bend	trans	-73.5	41.1	-178.6	29.7	-33.5	0	0	0	111.7	A334	A334-P336 WeakPolarHBondContact O-CD 3.35Å
337	H	43	Very low	55.8	Low	156 Å²	156	87.6 Å²	87.6	72%	0.722	52%	0.522	S	S	*	.	S	Bend	trans	-122.2	68	-178	-69.1	-10.4	0	0	0	110.7	S335 N339	S335-H337 PolarHBondContact O-N 2.9Å; H337-N339 VanDerWaalsContact C-N 3.35Å; H337-N339 PolarHBondContact O-N 2.77Å
338	G	60.5	Low	58.5	Low	36 Å²	36	84.6 Å²	84.6	37%	0.371	50%	0.501	S	S	.	.			trans	72.4	-21.2	136.1	0	0	0	0	0	121.2	F340 I394	G338-F340 WeakPolarHBondContact O-CD2 3.38Å; G338-F340 WeakPolarHBondContact O-CE2 3.39Å; G338-I394 WeakPolarHBondContact O-CD1 3.49Å; G338-I394 WeakPolarHBondContact O-CG1 3.49Å
339	N	71.4	Confident	61.5	Low	88 Å²	88	79.3 Å²	79.3	47%	0.471	46%	0.464	S	S	.	.			trans	-89.3	123.7	-176.6	-76.3	-33.4	0	0	0	112.1	H337 W341 I394	H337-N339 VanDerWaalsContact C-N 3.35Å; H337-N339 PolarHBondContact O-N 2.77Å; N339-W341 HydrophobicContact CB-CZ2 4.38Å; N339-I394 WeakPolarHBondContact OD1-CD1 3.4Å
340	F	82.9	Confident	64.4	Low	19 Å²	19	76.7 Å²	76.7	8%	0.083	44%	0.444	C	S	.	.			trans	-107.5	127.3	175.4	-60.8	-82.5	0	0	0	110.3	G338 A358 F359 Q362 F363 G393	G338-F340 WeakPolarHBondContact O-CD2 3.38Å; G338-F340 WeakPolarHBondContact O-CE2 3.39Å; F340-A358 HydrophobicContact CD1-CB 4.21Å; F340-A358 VanDerWaalsContact CE1-C 3.48Å; F340-A358 HydrophobicContact CE1-CB 3.65Å; F340-F359 HydrophobicContact CB-CB 3.95Å; F340-F359 HydrophobicContact CB-CD2 3.83Å; F340-F359 HydrophobicContact CB-CG 4.14Å; F340-F359 HydrophobicContact CD1-CB 3.71Å; F340-F359 HydrophobicContact CD1-CD2 4.44Å; F340-F359 HydrophobicContact CD2-CB 4.39Å; F340-F359 AromaticContact CD2-CD2 3.61Å; F340-F359 HydrophobicContact CD2-CD2 3.61Å; F340-F359 HydrophobicContact CD2-CE2 4.43Å; F340-F359 HydrophobicContact CD2-CG 4.46Å; F340-F359 HydrophobicContact CE1-CB 4.32Å; F340-F359 HydrophobicContact CE2-CD2 4.29Å; F340-F359 HydrophobicContact CG-CB 3.75Å; F340-F359 AromaticContact CG-CD2 3.69Å; F340-F359 HydrophobicContact CG-CD2 3.69Å; F340-F359 HydrophobicContact CG-CG 4.13Å; F340-Q362 HydrophobicContact CE2-CB 4.37Å; F340-Q362 HydrophobicContact CE2-CG 4.45Å; F340-Q362 HydrophobicContact CZ-CB 4.03Å; F340-Q362 HydrophobicContact CZ-CG 4.45Å; F340-F363 HydrophobicContact CD2-CE2 4.04Å; F340-F363 AromaticContact CE2-CE2 3.8Å; F340-F363 HydrophobicContact CE2-CE2 3.8Å; F340-G393 PolarHBondContact O-N 3.36Å
341	W	86.4	Confident	67	Low	99 Å²	99	74.9 Å²	74.9	38%	0.375	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	101.7	-179.4	-58.6	106.5	0	0	0	110.7	N339 T343 D355 V390 N392 E420	N339-W341 HydrophobicContact CB-CZ2 4.38Å; W341-T343 PolarHBondContact O-N 2.78Å; W341-D355 PolarHBondContact N-OD2 2.83Å; W341-D355 VanDerWaalsContact N-OD2 3.08Å; W341-V390 HydrophobicContact CB-CG1 4.42Å; W341-V390 HydrophobicContact CE3-CG1 4.11Å; W341-N392 HydrophobicContact CE3-CB 4.3Å; W341-N392 WeakPolarHBondContact CH2-ND2 3.07Å; W341-N392 HydrophobicContact CZ3-CB 3.83Å; W341-N392 WeakPolarHBondContact CZ3-ND2 3.48Å; W341-E420 HydrophobicContact CE3-CG 4.16Å; W341-E420 HydrophobicContact CH2-CG 4.15Å; W341-E420 HydrophobicContact CZ3-CG 3.38Å; W341-E420 WeakPolarHBondContact CZ3-OE1 3.49Å
342	L	89.1	Confident	69.6	Low	1 Å²	1	77.7 Å²	77.7	1%	0.005	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	107.1	-177.7	-50.7	176.2	0	0	0	109.3	F349 Y356 F359 L374 V391 L396	L342-F349 HydrophobicContact CB-CD1 3.83Å; L342-F349 HydrophobicContact CB-CE1 3.88Å; L342-Y356 HydrophobicContact CD2-CD2 4.07Å; L342-Y356 HydrophobicContact CD2-CG 4.49Å; L342-F359 HydrophobicContact CD1-CD1 3.66Å; L342-F359 HydrophobicContact CD1-CE1 3.63Å; L342-F359 HydrophobicContact CD1-CG 4.42Å; L342-F359 HydrophobicContact CD1-CZ 4.39Å; L342-F359 HydrophobicContact CD2-CB 4.1Å; L342-F359 HydrophobicContact CD2-CD1 3.95Å; L342-F359 HydrophobicContact CD2-CG 4.18Å; L342-F359 HydrophobicContact CG-CD1 4.35Å; L342-L374 HydrophobicContact CD1-CD2 4.01Å; L342-V391 HydrophobicContact CB-CB 4.34Å; L342-V391 PolarHBondContact N-O 3.02Å; L342-V391 PolarHBondContact O-N 3.1Å; L342-L396 HydrophobicContact CD1-CD2 4.12Å
343	T	88.3	Confident	72.2	Confident	44 Å²	44	72.7 Å²	72.7	27%	0.27	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	139.8	177.5	41.3	0	0	0	0	111.3	W341 Q350 V390	W341-T343 PolarHBondContact O-N 2.78Å; T343-Q350 PolarHBondContact O-N 3.15Å; T343-Q350 PolarHBondContact OG1-OE1 3.42Å; T343-V390 HydrophobicContact CG2-CG1 4.5Å; T343-V390 HydrophobicContact CG2-CG2 4.21Å
344	T	85.9	Confident	74.7	Confident	1 Å²	1	76.1 Å²	76.1	1%	0.006	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	140.3	167.9	62.1	0	0	0	0	111.6	V348 F349 F381 V388 A389	T344-V348 CarbonylContact C-O 3.59Å; T344-V348 WeakPolarHBondContact CA-O 3.5Å; T344-V348 WeakPolarHBondContact CB-O 3.5Å; T344-F349 HydrophobicContact CG2-CD1 3.45Å; T344-F349 VanDerWaalsContact CG2-CD1 3.45Å; T344-F349 HydrophobicContact CG2-CD2 4.12Å; T344-F349 HydrophobicContact CG2-CE1 3.48Å; T344-F349 VanDerWaalsContact CG2-CE1 3.48Å; T344-F349 HydrophobicContact CG2-CE2 4.12Å; T344-F349 HydrophobicContact CG2-CG 3.8Å; T344-F349 HydrophobicContact CG2-CZ 3.82Å; T344-F381 HydrophobicContact CG2-CD2 3.9Å; T344-F381 HydrophobicContact CG2-CE2 3.77Å; T344-V388 WeakPolarHBondContact O-CA 3.45Å; T344-A389 PolarHBondContact N-O 2.93Å; T344-A389 PolarHBondContact OG1-N 2.94Å; T344-A389 PolarHBondContact OG1-O 3.22Å
345	E	80.3	Confident	77.3	Confident	123 Å²	123	74 Å²	74	58%	0.575	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.9	130.3	165.9	-82.8	-175.2	167.2	0	0	108.7	G347 V348 Q350 S387	E345-G347 PolarHBondContact O-N 3.35Å; E345-G347 VanDerWaalsContact O-N 3.11Å; E345-V348 PolarHBondContact N-O 3.45Å; E345-V348 PolarHBondContact O-N 3.43Å; E345-Q350 HydrophobicContact CB-CG 4.37Å; E345-Q350 HydrophobicContact CG-CG 4.3Å; E345-Q350 VanDerWaalsContact CG-NE2 3.33Å; E345-Q350 PolarHBondContact OE1-NE2 3.5Å; E345-Q350 PolarHBondContact OE2-NE2 3.29Å; E345-S387 CarbonylContact C-O 3.53Å
346	E	80.3	Confident	80	Confident	153 Å²	153	71.4 Å²	71.4	72%	0.715	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	32.6	-172.4	-56.3	-169	165.4	0	0	113.2	V348 S387 R439	E346-V348 VanDerWaalsContact C-N 3.34Å; E346-S387 PolarHBondContact N-O 3.48Å; E346-R439 PolarHBondContact O-NH2 3.11Å
347	G	81.9	Confident	81.9	Confident	1 Å²	1	70.7 Å²	70.7	1%	0.01	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.3	7.3	179.7	0	0	0	0	0	115.7	E345 I386 S387	E345-G347 PolarHBondContact O-N 3.35Å; E345-G347 VanDerWaalsContact O-N 3.11Å; G347-I386 WeakPolarHBondContact CA-O 3.38Å; G347-S387 PolarHBondContact N-O 2.89Å
348	V	87.6	Confident	84	Confident	58 Å²	58	65.4 Å²	65.4	35%	0.352	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	140.2	178.5	-174.4	0	0	0	0	110	T344 E345 E346 E378 R439	T344-V348 CarbonylContact C-O 3.59Å; T344-V348 WeakPolarHBondContact CA-O 3.5Å; T344-V348 WeakPolarHBondContact CB-O 3.5Å; E345-V348 PolarHBondContact N-O 3.45Å; E345-V348 PolarHBondContact O-N 3.43Å; E346-V348 VanDerWaalsContact C-N 3.34Å; V348-E378 WeakPolarHBondContact CG1-OE1 3.36Å; V348-R439 VanDerWaalsContact CG2-NH2 3.34Å
349	F	89.4	Confident	85.3	Confident	7 Å²	7	63.7 Å²	63.7	3%	0.031	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	138.7	179.3	-71.2	-78	0	0	0	112.3	L342 T344 T351 Y356 L374 L377 E378 F381 V391	L342-F349 HydrophobicContact CB-CD1 3.83Å; L342-F349 HydrophobicContact CB-CE1 3.88Å; T344-F349 HydrophobicContact CG2-CD1 3.45Å; T344-F349 VanDerWaalsContact CG2-CD1 3.45Å; T344-F349 HydrophobicContact CG2-CD2 4.12Å; T344-F349 HydrophobicContact CG2-CE1 3.48Å; T344-F349 VanDerWaalsContact CG2-CE1 3.48Å; T344-F349 HydrophobicContact CG2-CE2 4.12Å; T344-F349 HydrophobicContact CG2-CG 3.8Å; T344-F349 HydrophobicContact CG2-CZ 3.82Å; F349-T351 PolarHBondContact O-N 3.1Å; F349-Y356 HydrophobicContact CB-CD2 4.28Å; F349-Y356 HydrophobicContact CB-CE2 4.01Å; F349-L374 HydrophobicContact CD1-CD2 4.17Å; F349-L374 HydrophobicContact CD2-CB 4.05Å; F349-L374 HydrophobicContact CD2-CD2 3.66Å; F349-L374 HydrophobicContact CD2-CG 4.39Å; F349-L374 HydrophobicContact CE1-CD2 3.92Å; F349-L374 HydrophobicContact CE2-CB 3.98Å; F349-L374 HydrophobicContact CE2-CD2 3.39Å; F349-L374 HydrophobicContact CE2-CG 4.29Å; F349-L374 HydrophobicContact CG-CD2 4.05Å; F349-L374 HydrophobicContact CZ-CD2 3.52Å; F349-L377 HydrophobicContact CE2-CB 4.03Å; F349-L377 HydrophobicContact CZ-CB 4.13Å; F349-L377 HydrophobicContact CZ-CD1 4.11Å; F349-E378 HydrophobicContact CD2-CG 3.58Å; F349-E378 WeakPolarHBondContact CD2-OE1 3.37Å; F349-E378 HydrophobicContact CE2-CG 3.8Å; F349-E378 PolarHBondContact N-OE1 2.96Å; F349-F381 HydrophobicContact CE2-CE2 4.48Å; F349-F381 HydrophobicContact CZ-CE2 4.06Å; F349-V391 HydrophobicContact CE1-CB 3.97Å; F349-V391 HydrophobicContact CE1-CG2 3.69Å; F349-V391 HydrophobicContact CZ-CB 4.32Å; F349-V391 HydrophobicContact CZ-CG2 3.77Å
350	Q	89	Confident	86	Confident	57 Å²	57	63.1 Å²	63.1	27%	0.266	32%	0.315	S	S	.	.			trans	-78.2	88.3	178.8	-65.9	179.3	-46.8	0	0	111.6	T343 E345 Q352 S353 Y356	T343-Q350 PolarHBondContact O-N 3.15Å; T343-Q350 PolarHBondContact OG1-OE1 3.42Å; E345-Q350 HydrophobicContact CB-CG 4.37Å; E345-Q350 HydrophobicContact CG-CG 4.3Å; E345-Q350 VanDerWaalsContact CG-NE2 3.33Å; E345-Q350 PolarHBondContact OE1-NE2 3.5Å; E345-Q350 PolarHBondContact OE2-NE2 3.29Å; Q350-Q352 PolarHBondContact O-N 3.21Å; Q350-Q352 VanDerWaalsContact O-N 3.14Å; Q350-S353 WeakPolarHBondContact O-CB 3.41Å; Q350-S353 PolarHBondContact O-N 2.88Å; Q350-S353 PolarHBondContact O-OG 3.13Å; Q350-Y356 WeakPolarHBondContact O-CB 3.42Å
351	T	86.5	Confident	86.1	Confident	79 Å²	79	65.8 Å²	65.8	49%	0.485	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-19.8	-178.5	58.1	0	0	0	0	114.6	F349 Y356	F349-T351 PolarHBondContact O-N 3.1Å; T351-Y356 HydrophobicContact CG2-CD1 4.42Å; T351-Y356 HydrophobicContact CG2-CE1 3.9Å; T351-Y356 HydrophobicContact CG2-CE2 4.3Å
352	Q	85.4	Confident	86	Confident	174 Å²	174	66.4 Å²	66.4	81%	0.813	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-5.9	176.7	-61.7	-172.9	2.4	0	0	113.7	Q350	Q350-Q352 PolarHBondContact O-N 3.21Å; Q350-Q352 VanDerWaalsContact O-N 3.14Å
353	S	85.6	Confident	85.9	Confident	27 Å²	27	68.5 Å²	68.5	19%	0.189	36%	0.356	C	S	.	.	S	Bend	trans	-68.5	143	177.6	65.8	0	0	0	0	110.6	Q350 D355 Y356 Q357	Q350-S353 WeakPolarHBondContact O-CB 3.41Å; Q350-S353 PolarHBondContact O-N 2.88Å; Q350-S353 PolarHBondContact O-OG 3.13Å; S353-D355 PolarHBondContact O-N 2.95Å; S353-Y356 PolarHBondContact O-N 3.08Å; S353-Y356 VanDerWaalsContact O-N 3.15Å; S353-Y356 WeakPolarHBondContact OG-CB 3.23Å; S353-Y356 PolarHBondContact OG-N 2.76Å; S353-Q357 PolarHBondContact O-N 3.03Å; S353-Q357 VanDerWaalsContact O-N 3.09Å
354	E	84.9	Confident	85.8	Confident	169 Å²	169	70.9 Å²	70.9	79%	0.79	37%	0.371	S	S	*	.	H	α-helix	trans	-56.2	-40	177	-66.7	-177.5	173.3	0	0	111	Q357 A358	E354-Q357 PolarHBondContact O-N 2.78Å; E354-A358 VanDerWaalsContact O-CB 3.23Å; E354-A358 WeakPolarHBondContact O-CB 3.36Å; E354-A358 PolarHBondContact O-N 3.24Å
355	D	85.6	Confident	85.6	Confident	61 Å²	61	80 Å²	80	33%	0.326	41%	0.413	S	S	.	.	H	α-helix	trans	-63.4	-41.2	177.6	-87.2	13.3	0	0	0	112.7	W341 S353 F359	W341-D355 PolarHBondContact N-OD2 2.83Å; W341-D355 VanDerWaalsContact N-OD2 3.08Å; S353-D355 PolarHBondContact O-N 2.95Å; D355-F359 WeakPolarHBondContact O-CB 3.4Å; D355-F359 PolarHBondContact O-N 2.99Å
356	Y	89.9	Confident	85.8	Confident	25 Å²	25	77.1 Å²	77.1	10%	0.098	40%	0.402	C	S	.	.	H	α-helix	trans	-66.4	-45.5	177.3	-172.6	-79.8	0	0	0	111.4	L342 F349 Q350 T351 S353 F359 E360 W367 L374	L342-Y356 HydrophobicContact CD2-CD2 4.07Å; L342-Y356 HydrophobicContact CD2-CG 4.49Å; F349-Y356 HydrophobicContact CB-CD2 4.28Å; F349-Y356 HydrophobicContact CB-CE2 4.01Å; Q350-Y356 WeakPolarHBondContact O-CB 3.42Å; T351-Y356 HydrophobicContact CG2-CD1 4.42Å; T351-Y356 HydrophobicContact CG2-CE1 3.9Å; T351-Y356 HydrophobicContact CG2-CE2 4.3Å; S353-Y356 PolarHBondContact O-N 3.08Å; S353-Y356 VanDerWaalsContact O-N 3.15Å; S353-Y356 WeakPolarHBondContact OG-CB 3.23Å; S353-Y356 PolarHBondContact OG-N 2.76Å; Y356-F359 WeakPolarHBondContact O-CB 3.4Å; Y356-F359 PolarHBondContact O-N 3.39Å; Y356-E360 WeakPolarHBondContact O-CB 3.4Å; Y356-E360 PolarHBondContact O-N 2.87Å; Y356-W367 HydrophobicContact CE1-CH2 4.09Å; Y356-W367 AromaticContact CE1-CZ2 3.79Å; Y356-W367 HydrophobicContact CE1-CZ2 3.79Å; Y356-W367 HydrophobicContact CE2-CH2 4.46Å; Y356-W367 AromaticContact CZ-CH2 3.94Å; Y356-W367 AromaticContact CZ-CZ2 3.71Å; Y356-W367 WeakPolarHBondContact OH-CZ2 3.16Å; Y356-L374 HydrophobicContact CE2-CD1 3.97Å
357	Q	86.7	Confident	86.2	Confident	107 Å²	107	71.5 Å²	71.5	50%	0.5	37%	0.374	S	S	.	.	H	α-helix	trans	-66.3	-40.5	-179.9	-67.7	-177.9	1	0	0	111.8	S353 E354 F359 E360 A361	S353-Q357 PolarHBondContact O-N 3.03Å; S353-Q357 VanDerWaalsContact O-N 3.09Å; E354-Q357 PolarHBondContact O-N 2.78Å; Q357-F359 VanDerWaalsContact C-N 3.33Å; Q357-E360 PolarHBondContact O-N 3.48Å; Q357-A361 WeakPolarHBondContact O-CB 3.39Å; Q357-A361 PolarHBondContact O-N 2.97Å
358	A	86	Confident	86.3	Confident	45 Å²	45	77.8 Å²	77.8	37%	0.372	41%	0.408	S	S	.	.	H	α-helix	trans	-66.4	-36.7	175.3	0	0	0	0	0	111.6	F340 E354 Q362	F340-A358 HydrophobicContact CD1-CB 4.21Å; F340-A358 VanDerWaalsContact CE1-C 3.48Å; F340-A358 HydrophobicContact CE1-CB 3.65Å; E354-A358 VanDerWaalsContact O-CB 3.23Å; E354-A358 WeakPolarHBondContact O-CB 3.36Å; E354-A358 PolarHBondContact O-N 3.24Å; A358-Q362 WeakPolarHBondContact O-CB 3.47Å; A358-Q362 PolarHBondContact O-N 3.02Å
359	F	87.6	Confident	86.3	Confident	0 Å²	0	77.3 Å²	77.3	0%	0	40%	0.401	C	S	.	.	H	α-helix	trans	-66.3	-45.5	174.4	-178.8	-117.1	0	0	0	112.2	F340 L342 D355 Y356 Q357 A361 Q362 F363 W367 I370 G393 L396 A397	F340-F359 HydrophobicContact CB-CB 3.95Å; F340-F359 HydrophobicContact CB-CD2 3.83Å; F340-F359 HydrophobicContact CB-CG 4.14Å; F340-F359 HydrophobicContact CD1-CB 3.71Å; F340-F359 HydrophobicContact CD1-CD2 4.44Å; F340-F359 HydrophobicContact CD2-CB 4.39Å; F340-F359 AromaticContact CD2-CD2 3.61Å; F340-F359 HydrophobicContact CD2-CD2 3.61Å; F340-F359 HydrophobicContact CD2-CE2 4.43Å; F340-F359 HydrophobicContact CD2-CG 4.46Å; F340-F359 HydrophobicContact CE1-CB 4.32Å; F340-F359 HydrophobicContact CE2-CD2 4.29Å; F340-F359 HydrophobicContact CG-CB 3.75Å; F340-F359 AromaticContact CG-CD2 3.69Å; F340-F359 HydrophobicContact CG-CD2 3.69Å; F340-F359 HydrophobicContact CG-CG 4.13Å; L342-F359 HydrophobicContact CD1-CD1 3.66Å; L342-F359 HydrophobicContact CD1-CE1 3.63Å; L342-F359 HydrophobicContact CD1-CG 4.42Å; L342-F359 HydrophobicContact CD1-CZ 4.39Å; L342-F359 HydrophobicContact CD2-CB 4.1Å; L342-F359 HydrophobicContact CD2-CD1 3.95Å; L342-F359 HydrophobicContact CD2-CG 4.18Å; L342-F359 HydrophobicContact CG-CD1 4.35Å; D355-F359 WeakPolarHBondContact O-CB 3.4Å; D355-F359 PolarHBondContact O-N 2.99Å; Y356-F359 WeakPolarHBondContact O-CB 3.4Å; Y356-F359 PolarHBondContact O-N 3.39Å; Q357-F359 VanDerWaalsContact C-N 3.33Å; F359-A361 VanDerWaalsContact C-N 3.35Å; F359-A361 PolarHBondContact O-N 2.99Å; F359-Q362 PolarHBondContact O-N 3.39Å; F359-F363 AromaticContact CD2-CD2 3.34Å; F359-F363 HydrophobicContact CD2-CD2 3.34Å; F359-F363 AromaticContact CD2-CE2 3.52Å; F359-F363 HydrophobicContact CD2-CE2 3.52Å; F359-F363 HydrophobicContact CD2-CG 4.46Å; F359-F363 AromaticContact CE2-CD2 3.27Å; F359-F363 HydrophobicContact CE2-CD2 3.27Å; F359-F363 AromaticContact CE2-CE2 3.43Å; F359-F363 HydrophobicContact CE2-CE2 3.43Å; F359-F363 VanDerWaalsContact CE2-CE2 3.43Å; F359-F363 HydrophobicContact CE2-CG 4.11Å; F359-F363 HydrophobicContact CE2-CZ 4.35Å; F359-F363 HydrophobicContact CG-CD2 4.27Å; F359-F363 HydrophobicContact CZ-CD2 4.18Å; F359-F363 WeakPolarHBondContact O-CD2 3.17Å; F359-F363 PolarHBondContact O-N 3.24Å; F359-W367 AromaticContact CD1-CH2 3.83Å; F359-W367 HydrophobicContact CD1-CH2 3.83Å; F359-W367 AromaticContact CD1-CZ3 3.52Å; F359-W367 HydrophobicContact CD1-CZ3 3.52Å; F359-W367 HydrophobicContact CE1-CH2 4.18Å; F359-W367 AromaticContact CE1-CZ3 3.62Å; F359-W367 HydrophobicContact CE1-CZ3 3.62Å; F359-W367 HydrophobicContact CG-CZ3 4.41Å; F359-I370 HydrophobicContact CE1-CG2 3.54Å; F359-I370 HydrophobicContact CZ-CD1 4.12Å; F359-I370 HydrophobicContact CZ-CG2 3.88Å; F359-G393 VanDerWaalsContact CE2-C 3.46Å; F359-G393 WeakPolarHBondContact CE2-O 3.25Å; F359-G393 WeakPolarHBondContact CZ-O 3.3Å; F359-L396 HydrophobicContact CE1-CD2 4.33Å; F359-L396 HydrophobicContact CZ-CD2 4.43Å; F359-A397 HydrophobicContact CE2-CB 4.26Å; F359-A397 HydrophobicContact CZ-CB 4.34Å
360	E	86.4	Confident	86.3	Confident	76 Å²	76	77 Å²	77	36%	0.355	40%	0.4	S	S	.	.	H	α-helix	trans	-60.5	-42.8	175.5	-178.2	165.6	-147	0	0	112.1	Y356 Q357 T364 W367	Y356-E360 WeakPolarHBondContact O-CB 3.4Å; Y356-E360 PolarHBondContact O-N 2.87Å; Q357-E360 PolarHBondContact O-N 3.48Å; E360-T364 PolarHBondContact O-N 3.35Å; E360-T364 PolarHBondContact O-OG1 3.36Å; E360-W367 VanDerWaalsContact CA-CZ3 3.47Å; E360-W367 HydrophobicContact CB-CD2 4.45Å; E360-W367 HydrophobicContact CB-CE3 4.37Å; E360-W367 HydrophobicContact CB-CH2 3.52Å; E360-W367 HydrophobicContact CB-CZ2 3.57Å; E360-W367 HydrophobicContact CB-CZ3 3.94Å; E360-W367 HydrophobicContact CG-CD2 3.98Å; E360-W367 HydrophobicContact CG-CE3 4.37Å; E360-W367 HydrophobicContact CG-CH2 3.96Å; E360-W367 HydrophobicContact CG-CZ2 3.5Å; E360-W367 VanDerWaalsContact CG-CZ2 3.5Å; E360-W367 HydrophobicContact CG-CZ3 4.37Å; E360-W367 PolarHBondContact OE1-NE1 2.79Å
361	A	85.4	Confident	86.2	Confident	74 Å²	74	76.1 Å²	76.1	61%	0.612	40%	0.4	S	S	*	.	H	α-helix	trans	-67.6	-34.2	176.6	0	0	0	0	0	113	Q357 F359 T364	Q357-A361 WeakPolarHBondContact O-CB 3.39Å; Q357-A361 PolarHBondContact O-N 2.97Å; F359-A361 VanDerWaalsContact C-N 3.35Å; F359-A361 PolarHBondContact O-N 2.99Å; A361-T364 PolarHBondContact O-OG1 2.85Å; A361-T364 VanDerWaalsContact O-OG1 3.04Å
362	Q	85.4	Confident	86.2	Confident	113 Å²	113	75.3 Å²	75.3	53%	0.528	40%	0.395	S	S	.	.	H	α-helix	trans	-76.7	-35.3	178.9	178.9	167	-29	0	0	112.8	F340 A358 F359	F340-Q362 HydrophobicContact CE2-CB 4.37Å; F340-Q362 HydrophobicContact CE2-CG 4.45Å; F340-Q362 HydrophobicContact CZ-CB 4.03Å; F340-Q362 HydrophobicContact CZ-CG 4.45Å; A358-Q362 WeakPolarHBondContact O-CB 3.47Å; A358-Q362 PolarHBondContact O-N 3.02Å; F359-Q362 PolarHBondContact O-N 3.39Å
363	F	86.6	Confident	86.3	Confident	44 Å²	44	67.1 Å²	67.1	19%	0.193	36%	0.357	C	S	.	.	S	Bend	trans	-109.5	26.8	-172.8	-65.2	-82.6	0	0	0	113.6	F340 F359 E365 N366 W367 I370 A397	F340-F363 HydrophobicContact CD2-CE2 4.04Å; F340-F363 AromaticContact CE2-CE2 3.8Å; F340-F363 HydrophobicContact CE2-CE2 3.8Å; F359-F363 AromaticContact CD2-CD2 3.34Å; F359-F363 HydrophobicContact CD2-CD2 3.34Å; F359-F363 AromaticContact CD2-CE2 3.52Å; F359-F363 HydrophobicContact CD2-CE2 3.52Å; F359-F363 HydrophobicContact CD2-CG 4.46Å; F359-F363 AromaticContact CE2-CD2 3.27Å; F359-F363 HydrophobicContact CE2-CD2 3.27Å; F359-F363 AromaticContact CE2-CE2 3.43Å; F359-F363 HydrophobicContact CE2-CE2 3.43Å; F359-F363 VanDerWaalsContact CE2-CE2 3.43Å; F359-F363 HydrophobicContact CE2-CG 4.11Å; F359-F363 HydrophobicContact CE2-CZ 4.35Å; F359-F363 HydrophobicContact CG-CD2 4.27Å; F359-F363 HydrophobicContact CZ-CD2 4.18Å; F359-F363 WeakPolarHBondContact O-CD2 3.17Å; F359-F363 PolarHBondContact O-N 3.24Å; F363-E365 PolarHBondContact O-N 3.16Å; F363-E365 VanDerWaalsContact O-N 3.14Å; F363-N366 CarbonylContact O-C 3.58Å; F363-N366 PolarHBondContact O-N 3.28Å; F363-W367 PolarHBondContact O-N 3.48Å; F363-W367 VanDerWaalsContact O-N 3.14Å; F363-I370 HydrophobicContact CB-CD1 3.61Å; F363-I370 HydrophobicContact CD1-CD1 4.49Å; F363-I370 HydrophobicContact CG-CD1 4.14Å; F363-A397 HydrophobicContact CD1-CB 3.91Å; F363-A397 HydrophobicContact CE1-CB 3.7Å; F363-A397 HydrophobicContact CE2-CB 4.47Å; F363-A397 HydrophobicContact CG-CB 4.38Å; F363-A397 HydrophobicContact CZ-CB 4.01Å
364	T	84.7	Confident	86.5	Confident	94 Å²	94	66 Å²	66	58%	0.577	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-54.6	-36	-175.3	-43.1	0	0	0	0	113.2	E360 A361 N366 W367	E360-T364 PolarHBondContact O-N 3.35Å; E360-T364 PolarHBondContact O-OG1 3.36Å; A361-T364 PolarHBondContact O-OG1 2.85Å; A361-T364 VanDerWaalsContact O-OG1 3.04Å; T364-N366 VanDerWaalsContact C-N 3.3Å; T364-N366 PolarHBondContact O-N 3.44Å; T364-W367 PolarHBondContact O-N 2.83Å
365	E	83.3	Confident	86.7	Confident	192 Å²	192	61 Å²	61	90%	0.897	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-64.9	-28.3	178.1	-67.3	-172.3	166.7	0	0	114.2	F363	F363-E365 PolarHBondContact O-N 3.16Å; F363-E365 VanDerWaalsContact O-N 3.14Å
366	N	83.8	Confident	86.8	Confident	64 Å²	64	61.8 Å²	61.8	34%	0.342	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-112.8	13.8	-178.5	-75.2	-49.6	0	0	0	112.8	F363 T364 D368 K369 I370	F363-N366 CarbonylContact O-C 3.58Å; F363-N366 PolarHBondContact O-N 3.28Å; T364-N366 VanDerWaalsContact C-N 3.3Å; T364-N366 PolarHBondContact O-N 3.44Å; N366-D368 VanDerWaalsContact C-N 3.35Å; N366-D368 PolarHBondContact O-N 2.86Å; N366-K369 PolarHBondContact O-N 3.24Å; N366-K369 PolarHBondContact OD1-NZ 2.89Å; N366-I370 HydrophobicContact CB-CD1 4.41Å; N366-I370 PolarHBondContact O-N 2.98Å
367	W	89	Confident	86.7	Confident	34 Å²	34	60.6 Å²	60.6	13%	0.129	33%	0.329	C	S	.	.	H	α-helix	trans	-62.6	-37.8	-169.2	-166.1	-122.8	0	0	0	113.3	Y356 F359 E360 F363 T364 K369 I370 S371 L374	Y356-W367 HydrophobicContact CE1-CH2 4.09Å; Y356-W367 AromaticContact CE1-CZ2 3.79Å; Y356-W367 HydrophobicContact CE1-CZ2 3.79Å; Y356-W367 HydrophobicContact CE2-CH2 4.46Å; Y356-W367 AromaticContact CZ-CH2 3.94Å; Y356-W367 AromaticContact CZ-CZ2 3.71Å; Y356-W367 WeakPolarHBondContact OH-CZ2 3.16Å; F359-W367 AromaticContact CD1-CH2 3.83Å; F359-W367 HydrophobicContact CD1-CH2 3.83Å; F359-W367 AromaticContact CD1-CZ3 3.52Å; F359-W367 HydrophobicContact CD1-CZ3 3.52Å; F359-W367 HydrophobicContact CE1-CH2 4.18Å; F359-W367 AromaticContact CE1-CZ3 3.62Å; F359-W367 HydrophobicContact CE1-CZ3 3.62Å; F359-W367 HydrophobicContact CG-CZ3 4.41Å; E360-W367 VanDerWaalsContact CA-CZ3 3.47Å; E360-W367 HydrophobicContact CB-CD2 4.45Å; E360-W367 HydrophobicContact CB-CE3 4.37Å; E360-W367 HydrophobicContact CB-CH2 3.52Å; E360-W367 HydrophobicContact CB-CZ2 3.57Å; E360-W367 HydrophobicContact CB-CZ3 3.94Å; E360-W367 HydrophobicContact CG-CD2 3.98Å; E360-W367 HydrophobicContact CG-CE3 4.37Å; E360-W367 HydrophobicContact CG-CH2 3.96Å; E360-W367 HydrophobicContact CG-CZ2 3.5Å; E360-W367 VanDerWaalsContact CG-CZ2 3.5Å; E360-W367 HydrophobicContact CG-CZ3 4.37Å; E360-W367 PolarHBondContact OE1-NE1 2.79Å; F363-W367 PolarHBondContact O-N 3.48Å; F363-W367 VanDerWaalsContact O-N 3.14Å; T364-W367 PolarHBondContact O-N 2.83Å; W367-K369 PolarHBondContact O-N 2.76Å; W367-I370 HydrophobicContact CE3-CB 4.16Å; W367-I370 HydrophobicContact CE3-CD1 4.38Å; W367-I370 HydrophobicContact CE3-CG2 3.99Å; W367-I370 HydrophobicContact CZ3-CB 4.5Å; W367-I370 HydrophobicContact CZ3-CG2 3.83Å; W367-I370 CarbonylContact O-C 3.59Å; W367-I370 PolarHBondContact O-N 2.7Å; W367-I370 VanDerWaalsContact O-N 3.11Å; W367-S371 VanDerWaalsContact O-CB 3.32Å; W367-S371 WeakPolarHBondContact O-CB 3.33Å; W367-S371 PolarHBondContact O-N 3.36Å; W367-S371 PolarHBondContact O-OG 2.89Å; W367-L374 HydrophobicContact CH2-CD1 4.27Å
368	D	84.7	Confident	86.8	Confident	134 Å²	134	57.8 Å²	57.8	72%	0.717	32%	0.316	S	S	*	.	H	α-helix	trans	-57.6	-34.9	178.2	-70	-20.6	0	0	0	113.2	N366 S371 T372	N366-D368 VanDerWaalsContact C-N 3.35Å; N366-D368 PolarHBondContact O-N 2.86Å; D368-S371 WeakPolarHBondContact CA-OG 3.49Å; D368-S371 PolarHBondContact O-OG 2.95Å; D368-T372 PolarHBondContact O-N 3.16Å; D368-T372 PolarHBondContact O-OG1 2.88Å
369	K	86.9	Confident	86.9	Confident	48 Å²	48	60.1 Å²	60.1	21%	0.209	32%	0.322	C	S	.	.	H	α-helix	trans	-76.9	-43.5	177.6	-60.2	168.8	-169.7	161.4	0	110.3	N366 W367 T372 L373 A400 E404 L407	N366-K369 PolarHBondContact O-N 3.24Å; N366-K369 PolarHBondContact OD1-NZ 2.89Å; W367-K369 PolarHBondContact O-N 2.76Å; K369-T372 WeakPolarHBondContact O-CB 3.4Å; K369-T372 PolarHBondContact O-N 2.93Å; K369-L373 PolarHBondContact O-N 3.23Å; K369-L373 VanDerWaalsContact O-N 3.15Å; K369-A400 HydrophobicContact CB-CB 4.19Å; K369-E404 HydrophobicContact CD-CG 4.07Å; K369-E404 WeakPolarHBondContact CE-OE1 3.49Å; K369-E404 IonicContact NZ-OE1 3.95Å; K369-E404 PolarHBondContact NZ-OE1 2.96Å; K369-E404 IonicContact NZ-OE2 3.58Å; K369-E404 PolarHBondContact NZ-OE2 3.31Å; K369-L407 HydrophobicContact CB-CD2 3.9Å; K369-L407 WeakPolarHBondContact O-CD2 3.49Å
370	I	88.5	Confident	86.8	Confident	1 Å²	1	60.8 Å²	60.8	1%	0.005	33%	0.325	C	S	.	.	H	α-helix	trans	-64.1	-43.8	179.2	-66.8	171.7	0	0	0	110.4	F359 F363 N366 W367 T372 L373 L374 L396 A397 A400	F359-I370 HydrophobicContact CE1-CG2 3.54Å; F359-I370 HydrophobicContact CZ-CD1 4.12Å; F359-I370 HydrophobicContact CZ-CG2 3.88Å; F363-I370 HydrophobicContact CB-CD1 3.61Å; F363-I370 HydrophobicContact CD1-CD1 4.49Å; F363-I370 HydrophobicContact CG-CD1 4.14Å; N366-I370 HydrophobicContact CB-CD1 4.41Å; N366-I370 PolarHBondContact O-N 2.98Å; W367-I370 HydrophobicContact CE3-CB 4.16Å; W367-I370 HydrophobicContact CE3-CD1 4.38Å; W367-I370 HydrophobicContact CE3-CG2 3.99Å; W367-I370 HydrophobicContact CZ3-CB 4.5Å; W367-I370 HydrophobicContact CZ3-CG2 3.83Å; W367-I370 CarbonylContact O-C 3.59Å; W367-I370 PolarHBondContact O-N 2.7Å; W367-I370 VanDerWaalsContact O-N 3.11Å; I370-T372 VanDerWaalsContact C-N 3.31Å; I370-T372 PolarHBondContact O-N 3.38Å; I370-L373 PolarHBondContact O-N 3.44Å; I370-L373 VanDerWaalsContact O-N 3.1Å; I370-L374 HydrophobicContact CG2-CD1 4.11Å; I370-L374 HydrophobicContact CG2-CG 4.33Å; I370-L374 WeakPolarHBondContact O-CG 3.47Å; I370-L374 PolarHBondContact O-N 3.47Å; I370-L396 HydrophobicContact CG2-CD2 4.03Å; I370-A397 HydrophobicContact CD1-CB 4.12Å; I370-A400 HydrophobicContact CG1-CB 3.79Å
371	S	86.6	Confident	86.9	Confident	38 Å²	38	57.1 Å²	57.1	27%	0.266	31%	0.308	S	S	.	.	H	α-helix	trans	-61.1	-39.8	177.5	68.1	0	0	0	0	111.6	W367 D368 L373 L374 C375	W367-S371 VanDerWaalsContact O-CB 3.32Å; W367-S371 WeakPolarHBondContact O-CB 3.33Å; W367-S371 PolarHBondContact O-N 3.36Å; W367-S371 PolarHBondContact O-OG 2.89Å; D368-S371 WeakPolarHBondContact CA-OG 3.49Å; D368-S371 PolarHBondContact O-OG 2.95Å; S371-L373 PolarHBondContact O-N 3.03Å; S371-L374 PolarHBondContact O-N 3.44Å; S371-C375 PolarHBondContact O-N 3.1Å; S371-C375 PolarHBondContact O-SG 2.6Å; S371-C375 VanDerWaalsContact O-SG 3.34Å
372	T	86.7	Confident	86.8	Confident	62 Å²	62	55.1 Å²	55.1	38%	0.38	29%	0.287	S	S	.	.	H	α-helix	trans	-60.5	-43.8	173.2	-56.1	0	0	0	0	111.7	D368 K369 I370 C375 E376 L407	D368-T372 PolarHBondContact O-N 3.16Å; D368-T372 PolarHBondContact O-OG1 2.88Å; K369-T372 WeakPolarHBondContact O-CB 3.4Å; K369-T372 PolarHBondContact O-N 2.93Å; I370-T372 VanDerWaalsContact C-N 3.31Å; I370-T372 PolarHBondContact O-N 3.38Å; T372-C375 PolarHBondContact O-N 3.2Å; T372-E376 WeakPolarHBondContact O-CG 3.22Å; T372-E376 PolarHBondContact O-N 3.37Å; T372-L407 HydrophobicContact CG2-CD2 4.18Å
373	L	88.2	Confident	86.7	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-68	-36.9	176	-70.3	-179.5	0	0	0	113	K369 I370 S371 C375 E376 L377 L396 L399 A400 L407 L410 L415	K369-L373 PolarHBondContact O-N 3.23Å; K369-L373 VanDerWaalsContact O-N 3.15Å; I370-L373 PolarHBondContact O-N 3.44Å; I370-L373 VanDerWaalsContact O-N 3.1Å; S371-L373 PolarHBondContact O-N 3.03Å; L373-C375 VanDerWaalsContact C-N 3.34Å; L373-E376 PolarHBondContact O-N 2.85Å; L373-L377 WeakPolarHBondContact O-CB 3.46Å; L373-L377 WeakPolarHBondContact O-CG 3.34Å; L373-L377 PolarHBondContact O-N 3.14Å; L373-L396 HydrophobicContact CB-CD1 3.92Å; L373-L396 HydrophobicContact CD1-CD1 4.1Å; L373-L399 HydrophobicContact CD1-CB 4.19Å; L373-A400 HydrophobicContact CD1-CB 3.82Å; L373-L407 HydrophobicContact CD2-CD2 4.29Å; L373-L407 HydrophobicContact CD2-CG 3.85Å; L373-L407 HydrophobicContact CG-CD2 3.98Å; L373-L407 HydrophobicContact CG-CG 4.04Å; L373-L410 HydrophobicContact CD2-CD2 3.86Å; L373-L415 HydrophobicContact CD2-CD2 3.86Å
374	L	89.7	Confident	86.6	Confident	4 Å²	4	53.2 Å²	53.2	2%	0.021	28%	0.276	C	S	.	.	H	α-helix	trans	-60.3	-46.3	173.1	-69.6	171.9	0	0	0	109.9	L342 F349 Y356 W367 I370 S371 E376 L377 E378 L396	L342-L374 HydrophobicContact CD1-CD2 4.01Å; F349-L374 HydrophobicContact CD1-CD2 4.17Å; F349-L374 HydrophobicContact CD2-CB 4.05Å; F349-L374 HydrophobicContact CD2-CD2 3.66Å; F349-L374 HydrophobicContact CD2-CG 4.39Å; F349-L374 HydrophobicContact CE1-CD2 3.92Å; F349-L374 HydrophobicContact CE2-CB 3.98Å; F349-L374 HydrophobicContact CE2-CD2 3.39Å; F349-L374 HydrophobicContact CE2-CG 4.29Å; F349-L374 HydrophobicContact CG-CD2 4.05Å; F349-L374 HydrophobicContact CZ-CD2 3.52Å; Y356-L374 HydrophobicContact CE2-CD1 3.97Å; W367-L374 HydrophobicContact CH2-CD1 4.27Å; I370-L374 HydrophobicContact CG2-CD1 4.11Å; I370-L374 HydrophobicContact CG2-CG 4.33Å; I370-L374 WeakPolarHBondContact O-CG 3.47Å; I370-L374 PolarHBondContact O-N 3.47Å; S371-L374 PolarHBondContact O-N 3.44Å; L374-E376 PolarHBondContact O-N 3.01Å; L374-L377 WeakPolarHBondContact O-CB 3.47Å; L374-L377 PolarHBondContact O-N 3.37Å; L374-E378 WeakPolarHBondContact O-CG 3.44Å; L374-E378 PolarHBondContact O-N 3Å; L374-L396 HydrophobicContact CD2-CD2 3.43Å; L374-L396 VanDerWaalsContact CD2-CD2 3.43Å; L374-L396 HydrophobicContact CG-CD2 3.92Å
375	C	88.7	Confident	86.5	Confident	63 Å²	63	50.5 Å²	50.5	43%	0.426	27%	0.267	S	S	.	.	H	α-helix	trans	-60.4	-40.7	175	-69.7	0	0	0	0	112.7	S371 T372 L373 E378 N379	S371-C375 PolarHBondContact O-N 3.1Å; S371-C375 PolarHBondContact O-SG 2.6Å; S371-C375 VanDerWaalsContact O-SG 3.34Å; T372-C375 PolarHBondContact O-N 3.2Å; L373-C375 VanDerWaalsContact C-N 3.34Å; C375-E378 PolarHBondContact O-N 2.91Å; C375-N379 WeakPolarHBondContact O-CB 3.4Å; C375-N379 PolarHBondContact O-N 3.3Å; C375-N379 PolarHBondContact O-ND2 3.07Å
376	E	87.5	Confident	86.5	Confident	79 Å²	79	41.8 Å²	41.8	37%	0.369	23%	0.227	S	C	.	.	H	α-helix	trans	-65.9	-36.8	175.3	-72.8	-59.8	150.2	0	0	112.6	T372 L373 L374 N379 L380 L415	T372-E376 WeakPolarHBondContact O-CG 3.22Å; T372-E376 PolarHBondContact O-N 3.37Å; L373-E376 PolarHBondContact O-N 2.85Å; L374-E376 PolarHBondContact O-N 3.01Å; E376-N379 PolarHBondContact O-N 2.82Å; E376-L380 WeakPolarHBondContact O-CB 3.4Å; E376-L380 PolarHBondContact O-N 3.43Å; E376-L415 HydrophobicContact CB-CD1 4.15Å
377	L	88.8	Confident	86.4	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-66.5	-45.1	173.5	-77.9	169	0	0	0	111.6	F349 L373 L374 N379 L380 F381 V391 L396 L415 I419	F349-L377 HydrophobicContact CE2-CB 4.03Å; F349-L377 HydrophobicContact CZ-CB 4.13Å; F349-L377 HydrophobicContact CZ-CD1 4.11Å; L373-L377 WeakPolarHBondContact O-CB 3.46Å; L373-L377 WeakPolarHBondContact O-CG 3.34Å; L373-L377 PolarHBondContact O-N 3.14Å; L374-L377 WeakPolarHBondContact O-CB 3.47Å; L374-L377 PolarHBondContact O-N 3.37Å; L377-N379 VanDerWaalsContact C-N 3.32Å; L377-N379 PolarHBondContact O-N 3.06Å; L377-L380 WeakPolarHBondContact O-CB 3.29Å; L377-L380 PolarHBondContact O-N 2.98Å; L377-L380 VanDerWaalsContact O-N 3.15Å; L377-F381 HydrophobicContact CB-CE2 3.94Å; L377-F381 HydrophobicContact CB-CZ 4.14Å; L377-F381 HydrophobicContact CD2-CE1 4.39Å; L377-F381 HydrophobicContact CD2-CZ 3.96Å; L377-F381 WeakPolarHBondContact O-CB 3.39Å; L377-F381 WeakPolarHBondContact O-CD2 3.31Å; L377-F381 WeakPolarHBondContact O-CG 3.4Å; L377-F381 PolarHBondContact O-N 3.45Å; L377-V391 HydrophobicContact CD1-CG1 4.12Å; L377-V391 HydrophobicContact CD1-CG2 4.32Å; L377-L396 HydrophobicContact CD1-CD1 3.77Å; L377-L415 HydrophobicContact CD2-CB 3.93Å; L377-L415 HydrophobicContact CG-CD2 4.49Å; L377-I419 HydrophobicContact CD2-CD1 3.99Å; L377-I419 HydrophobicContact CD2-CG1 4.39Å
378	E	88.8	Confident	86.2	Confident	48 Å²	48	44.8 Å²	44.8	22%	0.224	25%	0.254	C	S	.	.	H	α-helix	trans	-60.2	-42.3	174	-69.4	-179.8	157.4	0	0	111.3	V348 F349 L374 C375 L380 F381 D382	V348-E378 WeakPolarHBondContact CG1-OE1 3.36Å; F349-E378 HydrophobicContact CD2-CG 3.58Å; F349-E378 WeakPolarHBondContact CD2-OE1 3.37Å; F349-E378 HydrophobicContact CE2-CG 3.8Å; F349-E378 PolarHBondContact N-OE1 2.96Å; L374-E378 WeakPolarHBondContact O-CG 3.44Å; L374-E378 PolarHBondContact O-N 3Å; C375-E378 PolarHBondContact O-N 2.91Å; E378-L380 VanDerWaalsContact C-N 3.32Å; E378-L380 PolarHBondContact O-N 2.98Å; E378-F381 PolarHBondContact O-N 3.4Å; E378-D382 VanDerWaalsContact O-CB 3.28Å; E378-D382 WeakPolarHBondContact O-CB 3.31Å; E378-D382 PolarHBondContact O-N 3.17Å
379	N	87	Confident	86.3	Confident	94 Å²	94	38.6 Å²	38.6	50%	0.503	22%	0.221	S	C	.	.	H	α-helix	trans	-61.5	-40.4	174.2	-74.7	-27.9	0	0	0	111.8	C375 E376 L377 F383	C375-N379 WeakPolarHBondContact O-CB 3.4Å; C375-N379 PolarHBondContact O-N 3.3Å; C375-N379 PolarHBondContact O-ND2 3.07Å; E376-N379 PolarHBondContact O-N 2.82Å; L377-N379 VanDerWaalsContact C-N 3.32Å; L377-N379 PolarHBondContact O-N 3.06Å; N379-F383 WeakPolarHBondContact O-CB 3.43Å; N379-F383 PolarHBondContact O-N 2.91Å
380	L	86.8	Confident	86.4	Confident	13 Å²	13	38.7 Å²	38.7	7%	0.068	23%	0.225	C	C	.	.	H	α-helix	trans	-67.6	-44.9	176.6	-174	153.3	0	0	0	111.2	E376 L377 E378 F383 Y384 I386 L415 M429	E376-L380 WeakPolarHBondContact O-CB 3.4Å; E376-L380 PolarHBondContact O-N 3.43Å; L377-L380 WeakPolarHBondContact O-CB 3.29Å; L377-L380 PolarHBondContact O-N 2.98Å; L377-L380 VanDerWaalsContact O-N 3.15Å; E378-L380 VanDerWaalsContact C-N 3.32Å; E378-L380 PolarHBondContact O-N 2.98Å; L380-F383 WeakPolarHBondContact O-CB 3.4Å; L380-F383 PolarHBondContact O-N 2.93Å; L380-F383 VanDerWaalsContact O-N 3.13Å; L380-Y384 HydrophobicContact CD2-CD2 4.36Å; L380-Y384 HydrophobicContact CG-CD2 4.38Å; L380-Y384 WeakPolarHBondContact O-CD2 3.41Å; L380-Y384 PolarHBondContact O-N 3.47Å; L380-I386 HydrophobicContact CD2-CD1 4.19Å; L380-L415 HydrophobicContact CD1-CD1 4.26Å; L380-M429 HydrophobicContact CD2-SD 4.34Å
381	F	87.8	Confident	86.5	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-63.3	-44.9	177.3	-60.5	-28.3	0	0	0	111.3	T344 F349 L377 E378 F383 Y384 G385 I386 A389 V391 I419 I425	T344-F381 HydrophobicContact CG2-CD2 3.9Å; T344-F381 HydrophobicContact CG2-CE2 3.77Å; F349-F381 HydrophobicContact CE2-CE2 4.48Å; F349-F381 HydrophobicContact CZ-CE2 4.06Å; L377-F381 HydrophobicContact CB-CE2 3.94Å; L377-F381 HydrophobicContact CB-CZ 4.14Å; L377-F381 HydrophobicContact CD2-CE1 4.39Å; L377-F381 HydrophobicContact CD2-CZ 3.96Å; L377-F381 WeakPolarHBondContact O-CB 3.39Å; L377-F381 WeakPolarHBondContact O-CD2 3.31Å; L377-F381 WeakPolarHBondContact O-CG 3.4Å; L377-F381 PolarHBondContact O-N 3.45Å; E378-F381 PolarHBondContact O-N 3.4Å; F381-F383 VanDerWaalsContact C-N 3.28Å; F381-F383 PolarHBondContact O-N 3.35Å; F381-Y384 PolarHBondContact O-N 3.01Å; F381-G385 WeakPolarHBondContact O-CA 3.48Å; F381-G385 PolarHBondContact O-N 3.45Å; F381-I386 HydrophobicContact CB-CB 4.1Å; F381-I386 HydrophobicContact CD1-CB 4.1Å; F381-I386 HydrophobicContact CD1-CD1 3.87Å; F381-I386 HydrophobicContact CD1-CG2 4.08Å; F381-I386 HydrophobicContact CG-CB 4.39Å; F381-I386 HydrophobicContact CG-CG2 4.5Å; F381-I386 PolarHBondContact O-N 2.92Å; F381-A389 HydrophobicContact CD1-CB 4.36Å; F381-A389 HydrophobicContact CD2-CB 4.37Å; F381-A389 HydrophobicContact CE1-CB 3.82Å; F381-A389 HydrophobicContact CE2-CB 3.81Å; F381-A389 HydrophobicContact CZ-CB 3.51Å; F381-V391 HydrophobicContact CE2-CG2 4.43Å; F381-V391 HydrophobicContact CZ-CG2 4.19Å; F381-I419 HydrophobicContact CE1-CD1 3.57Å; F381-I419 HydrophobicContact CZ-CD1 3.65Å; F381-I425 HydrophobicContact CE1-CD1 4.23Å
382	D	83.9	Confident	86.7	Confident	31 Å²	31	37.3 Å²	37.3	17%	0.166	22%	0.215	C	C	.	.	H	α-helix	trans	-62.2	-37.1	172.3	-170.3	64.8	0	0	0	111.4	E378 Y384 G438 R439	E378-D382 VanDerWaalsContact O-CB 3.28Å; E378-D382 WeakPolarHBondContact O-CB 3.31Å; E378-D382 PolarHBondContact O-N 3.17Å; D382-Y384 VanDerWaalsContact C-N 3.34Å; D382-Y384 PolarHBondContact O-N 2.86Å; D382-G438 WeakPolarHBondContact O-CA 3.33Å; D382-R439 WeakPolarHBondContact OD1-CB 3.45Å; D382-R439 VanDerWaalsContact OD1-CG 3.28Å; D382-R439 WeakPolarHBondContact OD1-CG 3.38Å; D382-R439 IonicContact OD1-CZ 3.47Å; D382-R439 PolarHBondContact OD1-N 3.39Å; D382-R439 IonicContact OD1-NE 3.19Å; D382-R439 PolarHBondContact OD1-NE 3.32Å; D382-R439 IonicContact OD1-NH2 2.6Å
383	F	82.4	Confident	86.8	Confident	73 Å²	73	34.3 Å²	34.3	32%	0.32	20%	0.197	S	C	.	.	H	α-helix	trans	-62.6	-40.3	-178.6	-171.1	-76.6	0	0	0	112.6	N379 L380 F381 R444	N379-F383 WeakPolarHBondContact O-CB 3.43Å; N379-F383 PolarHBondContact O-N 2.91Å; L380-F383 WeakPolarHBondContact O-CB 3.4Å; L380-F383 PolarHBondContact O-N 2.93Å; L380-F383 VanDerWaalsContact O-N 3.13Å; F381-F383 VanDerWaalsContact C-N 3.28Å; F381-F383 PolarHBondContact O-N 3.35Å; F383-R444 VanDerWaalsContact CA-NH1 3.33Å; F383-R444 VanDerWaalsContact CE2-CZ 3.41Å; F383-R444 VanDerWaalsContact CE2-NH1 3.32Å; F383-R444 PolarHBondContact O-NH1 3.42Å
384	Y	84.4	Confident	86.8	Confident	44 Å²	44	37.5 Å²	37.5	17%	0.173	21%	0.213	C	C	.	.	H	α-helix	trans	-103.1	-1.1	-176.4	-67.7	-80.3	0	0	0	114	L380 F381 D382 M429	L380-Y384 HydrophobicContact CD2-CD2 4.36Å; L380-Y384 HydrophobicContact CG-CD2 4.38Å; L380-Y384 WeakPolarHBondContact O-CD2 3.41Å; L380-Y384 PolarHBondContact O-N 3.47Å; F381-Y384 PolarHBondContact O-N 3.01Å; D382-Y384 VanDerWaalsContact C-N 3.34Å; D382-Y384 PolarHBondContact O-N 2.86Å; Y384-M429 HydrophobicContact CD1-CB 4.05Å; Y384-M429 HydrophobicContact CD1-CG 3.84Å; Y384-M429 HydrophobicContact CD2-CE 4.05Å; Y384-M429 HydrophobicContact CD2-CG 3.73Å; Y384-M429 HydrophobicContact CD2-SD 4.38Å; Y384-M429 HydrophobicContact CE1-CB 3.89Å; Y384-M429 HydrophobicContact CE1-CG 3.96Å; Y384-M429 HydrophobicContact CE2-CE 3.39Å; Y384-M429 HydrophobicContact CE2-CG 3.89Å; Y384-M429 HydrophobicContact CE2-SD 4.28Å; Y384-M429 HydrophobicContact CG-CB 4.43Å; Y384-M429 HydrophobicContact CG-CG 3.71Å
385	G	82.6	Confident	86.7	Confident	38 Å²	38	41.2 Å²	41.2	39%	0.392	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.6	38.1	-179.6	0	0	0	0	0	113.3	F381 S387	F381-G385 WeakPolarHBondContact O-CA 3.48Å; F381-G385 PolarHBondContact O-N 3.45Å; G385-S387 PolarHBondContact O-N 3.26Å
386	I	83.8	Confident	86.8	Confident	9 Å²	9	38.2 Å²	38.2	5%	0.046	21%	0.209	C	C	.	.			trans	-85.5	108.8	178.9	-60.8	156.4	0	0	0	107.9	G347 L380 F381 A389 I425	G347-I386 WeakPolarHBondContact CA-O 3.38Å; L380-I386 HydrophobicContact CD2-CD1 4.19Å; F381-I386 HydrophobicContact CB-CB 4.1Å; F381-I386 HydrophobicContact CD1-CB 4.1Å; F381-I386 HydrophobicContact CD1-CD1 3.87Å; F381-I386 HydrophobicContact CD1-CG2 4.08Å; F381-I386 HydrophobicContact CG-CB 4.39Å; F381-I386 HydrophobicContact CG-CG2 4.5Å; F381-I386 PolarHBondContact O-N 2.92Å; I386-A389 HydrophobicContact CG2-CB 4.27Å; I386-I425 HydrophobicContact CD1-CB 4.47Å; I386-I425 HydrophobicContact CD1-CG1 4.39Å; I386-I425 HydrophobicContact CD1-CG2 3.49Å; I386-I425 VanDerWaalsContact CD1-CG2 3.49Å; I386-I425 HydrophobicContact CG2-CD1 4.3Å; I386-I425 HydrophobicContact CG2-CG1 4.26Å
387	S	80.9	Confident	86.7	Confident	65 Å²	65	35.1 Å²	35.1	46%	0.455	20%	0.196	S	C	.	.			trans	-77.4	-40.8	-174.5	-175.1	0	0	0	0	113.2	E345 E346 G347 G385	E345-S387 CarbonylContact C-O 3.53Å; E346-S387 PolarHBondContact N-O 3.48Å; G347-S387 PolarHBondContact N-O 2.89Å; G385-S387 PolarHBondContact O-N 3.26Å
388	V	85.3	Confident	86.7	Confident	96 Å²	96	41.3 Å²	41.3	58%	0.582	22%	0.223	S	C	*	.			trans	-130.7	124.3	-177.3	-177.8	0	0	0	0	109	T344	T344-V388 WeakPolarHBondContact O-CA 3.45Å
389	A	86.9	Confident	86.6	Confident	3 Å²	3	39.7 Å²	39.7	3%	0.025	22%	0.216	C	C	.	.			trans	-136.5	145.7	171.8	0	0	0	0	0	109.2	T344 F381 I386 I419 I425	T344-A389 PolarHBondContact N-O 2.93Å; T344-A389 PolarHBondContact OG1-N 2.94Å; T344-A389 PolarHBondContact OG1-O 3.22Å; F381-A389 HydrophobicContact CD1-CB 4.36Å; F381-A389 HydrophobicContact CD2-CB 4.37Å; F381-A389 HydrophobicContact CE1-CB 3.82Å; F381-A389 HydrophobicContact CE2-CB 3.81Å; F381-A389 HydrophobicContact CZ-CB 3.51Å; I386-A389 HydrophobicContact CG2-CB 4.27Å; A389-I419 HydrophobicContact CB-CG2 4.38Å; A389-I425 HydrophobicContact CB-CD1 4.02Å
390	V	89.5	Confident	86.6	Confident	50 Å²	50	35.3 Å²	35.3	30%	0.303	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	113.9	177.1	-172.8	0	0	0	0	108.6	W341 T343 I419 E420	W341-V390 HydrophobicContact CB-CG1 4.42Å; W341-V390 HydrophobicContact CE3-CG1 4.11Å; T343-V390 HydrophobicContact CG2-CG1 4.5Å; T343-V390 HydrophobicContact CG2-CG2 4.21Å; V390-I419 VanDerWaalsContact O-CG2 3.29Å; V390-I419 WeakPolarHBondContact O-CG2 3.4Å; V390-E420 PolarHBondContact O-N 3.14Å
391	V	90.3	Very high	86.5	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	130.1	-177.3	-176.2	0	0	0	0	109.7	L342 F349 L377 F381 G393 L396 C418 I419	L342-V391 HydrophobicContact CB-CB 4.34Å; L342-V391 PolarHBondContact N-O 3.02Å; L342-V391 PolarHBondContact O-N 3.1Å; F349-V391 HydrophobicContact CE1-CB 3.97Å; F349-V391 HydrophobicContact CE1-CG2 3.69Å; F349-V391 HydrophobicContact CZ-CB 4.32Å; F349-V391 HydrophobicContact CZ-CG2 3.77Å; L377-V391 HydrophobicContact CD1-CG1 4.12Å; L377-V391 HydrophobicContact CD1-CG2 4.32Å; F381-V391 HydrophobicContact CE2-CG2 4.43Å; F381-V391 HydrophobicContact CZ-CG2 4.19Å; V391-G393 PolarHBondContact O-N 3.43Å; V391-L396 HydrophobicContact CG1-CB 4.33Å; V391-L396 HydrophobicContact CG1-CD2 4.39Å; V391-C418 HydrophobicContact CG1-CB 4.18Å; V391-I419 HydrophobicContact CG2-CG1 4.23Å
392	N	91	Very high	86.3	Confident	10 Å²	10	46.6 Å²	46.6	5%	0.053	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	111.7	176.2	-175.1	-47.3	0	0	0	109.7	W341 I394 K395 L396 C418 E420	W341-N392 HydrophobicContact CE3-CB 4.3Å; W341-N392 WeakPolarHBondContact CH2-ND2 3.07Å; W341-N392 HydrophobicContact CZ3-CB 3.83Å; W341-N392 WeakPolarHBondContact CZ3-ND2 3.48Å; N392-I394 VanDerWaalsContact C-N 3.32Å; N392-I394 PolarHBondContact O-N 3.43Å; N392-I394 PolarHBondContact OD1-N 3.01Å; N392-I394 VanDerWaalsContact OD1-N 3.1Å; N392-K395 HydrophobicContact CB-CB 4.09Å; N392-K395 HydrophobicContact CB-CD 3.88Å; N392-K395 HydrophobicContact CB-CG 3.98Å; N392-K395 PolarHBondContact O-N 2.88Å; N392-K395 VanDerWaalsContact O-N 3.17Å; N392-K395 PolarHBondContact OD1-N 3.4Å; N392-L396 PolarHBondContact O-N 2.91Å; N392-C418 PolarHBondContact N-O 3.45Å; N392-E420 PolarHBondContact ND2-OE1 3.31Å
393	G	88	Confident	86.3	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-60	-35.8	-176.8	0	0	0	0	0	113.6	F340 F359 V391 L396 A397	F340-G393 PolarHBondContact O-N 3.36Å; F359-G393 VanDerWaalsContact CE2-C 3.46Å; F359-G393 WeakPolarHBondContact CE2-O 3.25Å; F359-G393 WeakPolarHBondContact CZ-O 3.3Å; V391-G393 PolarHBondContact O-N 3.43Å; G393-L396 PolarHBondContact O-N 3.09Å; G393-A397 WeakPolarHBondContact O-CB 3.28Å; G393-A397 PolarHBondContact O-N 3.14Å
394	I	87.7	Confident	86	Confident	67 Å²	67	50.5 Å²	50.5	34%	0.344	26%	0.261	S	S	.	.	H	α-helix	trans	-65.9	-46.5	175.7	-53.1	-172.8	0	0	0	110.5	G338 N339 N392 L396 A397 K398	G338-I394 WeakPolarHBondContact O-CD1 3.49Å; G338-I394 WeakPolarHBondContact O-CG1 3.49Å; N339-I394 WeakPolarHBondContact OD1-CD1 3.4Å; N392-I394 VanDerWaalsContact C-N 3.32Å; N392-I394 PolarHBondContact O-N 3.43Å; N392-I394 PolarHBondContact OD1-N 3.01Å; N392-I394 VanDerWaalsContact OD1-N 3.1Å; I394-L396 PolarHBondContact O-N 3.44Å; I394-A397 PolarHBondContact O-N 3.31Å; I394-K398 WeakPolarHBondContact O-CB 3.24Å; I394-K398 PolarHBondContact O-N 3.49Å
395	K	89.2	Confident	85.7	Confident	83 Å²	83	55.5 Å²	55.5	36%	0.361	29%	0.291	S	S	.	.	H	α-helix	trans	-61.3	-38.7	178.2	-66.2	-179.4	-172.1	161	0	110.6	N392 K398 L399 C418 E420	N392-K395 HydrophobicContact CB-CB 4.09Å; N392-K395 HydrophobicContact CB-CD 3.88Å; N392-K395 HydrophobicContact CB-CG 3.98Å; N392-K395 PolarHBondContact O-N 2.88Å; N392-K395 VanDerWaalsContact O-N 3.17Å; N392-K395 PolarHBondContact OD1-N 3.4Å; K395-K398 PolarHBondContact O-N 3.47Å; K395-L399 WeakPolarHBondContact O-CG 3.28Å; K395-L399 PolarHBondContact O-N 3.28Å; K395-C418 HydrophobicContact CB-CB 3.78Å; K395-E420 IonicContact NZ-OE1 2.72Å; K395-E420 PolarHBondContact NZ-OE1 2.83Å; K395-E420 IonicContact NZ-OE2 3.62Å
396	L	89.5	Confident	85.6	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-65.5	-47.4	176.1	-173.1	70.9	0	0	0	112.2	L342 F359 I370 L373 L374 L377 V391 N392 G393 I394 K398 L399 A400 C418	L342-L396 HydrophobicContact CD1-CD2 4.12Å; F359-L396 HydrophobicContact CE1-CD2 4.33Å; F359-L396 HydrophobicContact CZ-CD2 4.43Å; I370-L396 HydrophobicContact CG2-CD2 4.03Å; L373-L396 HydrophobicContact CB-CD1 3.92Å; L373-L396 HydrophobicContact CD1-CD1 4.1Å; L374-L396 HydrophobicContact CD2-CD2 3.43Å; L374-L396 VanDerWaalsContact CD2-CD2 3.43Å; L374-L396 HydrophobicContact CG-CD2 3.92Å; L377-L396 HydrophobicContact CD1-CD1 3.77Å; V391-L396 HydrophobicContact CG1-CB 4.33Å; V391-L396 HydrophobicContact CG1-CD2 4.39Å; N392-L396 PolarHBondContact O-N 2.91Å; G393-L396 PolarHBondContact O-N 3.09Å; I394-L396 PolarHBondContact O-N 3.44Å; L396-K398 VanDerWaalsContact C-N 3.26Å; L396-K398 PolarHBondContact O-N 2.98Å; L396-L399 WeakPolarHBondContact O-CB 3.31Å; L396-L399 PolarHBondContact O-N 3.38Å; L396-L399 VanDerWaalsContact O-N 3.14Å; L396-A400 PolarHBondContact O-N 3.43Å; L396-C418 HydrophobicContact CB-CB 4.32Å
397	A	87	Confident	85.2	Confident	13 Å²	13	59.2 Å²	59.2	11%	0.107	30%	0.302	C	S	.	.	H	α-helix	trans	-61.9	-36.8	176.3	0	0	0	0	0	111.6	F359 F363 I370 G393 I394 A400 K401	F359-A397 HydrophobicContact CE2-CB 4.26Å; F359-A397 HydrophobicContact CZ-CB 4.34Å; F363-A397 HydrophobicContact CD1-CB 3.91Å; F363-A397 HydrophobicContact CE1-CB 3.7Å; F363-A397 HydrophobicContact CE2-CB 4.47Å; F363-A397 HydrophobicContact CG-CB 4.38Å; F363-A397 HydrophobicContact CZ-CB 4.01Å; I370-A397 HydrophobicContact CD1-CB 4.12Å; G393-A397 WeakPolarHBondContact O-CB 3.28Å; G393-A397 PolarHBondContact O-N 3.14Å; I394-A397 PolarHBondContact O-N 3.31Å; A397-A400 PolarHBondContact O-N 2.71Å; A397-K401 PolarHBondContact O-N 2.99Å; A397-K401 VanDerWaalsContact O-N 3.09Å
398	K	87.4	Confident	84.7	Confident	130 Å²	130	60.9 Å²	60.9	57%	0.565	32%	0.32	S	S	*	.	H	α-helix	trans	-63.5	-45.7	172.1	-173.6	178.1	177.7	-178.6	0	111.7	I394 K395 L396 A400 K401 D402	I394-K398 WeakPolarHBondContact O-CB 3.24Å; I394-K398 PolarHBondContact O-N 3.49Å; K395-K398 PolarHBondContact O-N 3.47Å; L396-K398 VanDerWaalsContact C-N 3.26Å; L396-K398 PolarHBondContact O-N 2.98Å; K398-A400 VanDerWaalsContact C-N 3.32Å; K398-A400 PolarHBondContact O-N 3.19Å; K398-K401 PolarHBondContact O-N 3.21Å; K398-D402 WeakPolarHBondContact CE-OD2 3.42Å; K398-D402 WeakPolarHBondContact CG-OD2 3.48Å; K398-D402 WeakPolarHBondContact O-CB 3.42Å; K398-D402 VanDerWaalsContact O-CG 3.22Å; K398-D402 PolarHBondContact O-N 3.17Å
399	L	86.9	Confident	84.3	Confident	14 Å²	14	60.1 Å²	60.1	7%	0.073	32%	0.318	C	S	.	.	H	α-helix	trans	-60.3	-41.1	174.6	-76.5	173.9	0	0	0	112.3	L373 K395 L396 K401 D402 Y403 I414 C418	L373-L399 HydrophobicContact CD1-CB 4.19Å; K395-L399 WeakPolarHBondContact O-CG 3.28Å; K395-L399 PolarHBondContact O-N 3.28Å; L396-L399 WeakPolarHBondContact O-CB 3.31Å; L396-L399 PolarHBondContact O-N 3.38Å; L396-L399 VanDerWaalsContact O-N 3.14Å; L399-K401 VanDerWaalsContact C-N 3.25Å; L399-K401 PolarHBondContact O-N 3.3Å; L399-D402 PolarHBondContact O-N 2.91Å; L399-Y403 HydrophobicContact CD2-CD2 4.07Å; L399-Y403 HydrophobicContact CD2-CE2 3.82Å; L399-Y403 PolarHBondContact O-N 3.1Å; L399-I414 HydrophobicContact CD2-CG2 3.78Å; L399-C418 HydrophobicContact CD1-CB 3.74Å
400	A	86.6	Confident	83.9	Confident	2 Å²	2	61 Å²	61	2%	0.017	32%	0.323	C	S	.	.	H	α-helix	trans	-60.6	-37.1	176.6	0	0	0	0	0	112.1	K369 I370 L373 L396 A397 K398 E404	K369-A400 HydrophobicContact CB-CB 4.19Å; I370-A400 HydrophobicContact CG1-CB 3.79Å; L373-A400 HydrophobicContact CD1-CB 3.82Å; L396-A400 PolarHBondContact O-N 3.43Å; A397-A400 PolarHBondContact O-N 2.71Å; K398-A400 VanDerWaalsContact C-N 3.32Å; K398-A400 PolarHBondContact O-N 3.19Å; A400-E404 WeakPolarHBondContact O-CA 3.37Å; A400-E404 PolarHBondContact O-N 3.42Å
401	K	85	Confident	83.6	Confident	152 Å²	152	62.3 Å²	62.3	66%	0.661	33%	0.331	S	S	*	.	H	α-helix	trans	-75.6	-45.4	176.3	-170	176.4	-178.2	175.2	0	112.4	A397 K398 L399 Y403	A397-K401 PolarHBondContact O-N 2.99Å; A397-K401 VanDerWaalsContact O-N 3.09Å; K398-K401 PolarHBondContact O-N 3.21Å; L399-K401 VanDerWaalsContact C-N 3.25Å; L399-K401 PolarHBondContact O-N 3.3Å; K401-Y403 VanDerWaalsContact C-N 3.26Å; K401-Y403 PolarHBondContact O-N 3.36Å
402	D	84.8	Confident	83.1	Confident	98 Å²	98	64.7 Å²	64.7	52%	0.524	35%	0.347	S	S	.	.	H	α-helix	trans	-66.5	-28.9	-176.5	-70.7	-9.3	0	0	0	111.9	K398 L399	K398-D402 WeakPolarHBondContact CE-OD2 3.42Å; K398-D402 WeakPolarHBondContact CG-OD2 3.48Å; K398-D402 WeakPolarHBondContact O-CB 3.42Å; K398-D402 VanDerWaalsContact O-CG 3.22Å; K398-D402 PolarHBondContact O-N 3.17Å; L399-D402 PolarHBondContact O-N 2.91Å
403	Y	82.7	Confident	82.8	Confident	89 Å²	89	68.5 Å²	68.5	35%	0.349	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.1	23.9	-177.1	-66.4	-88.6	0	0	0	114.5	L399 K401 N405 N406 L407 L410 I414	L399-Y403 HydrophobicContact CD2-CD2 4.07Å; L399-Y403 HydrophobicContact CD2-CE2 3.82Å; L399-Y403 PolarHBondContact O-N 3.1Å; K401-Y403 VanDerWaalsContact C-N 3.26Å; K401-Y403 PolarHBondContact O-N 3.36Å; Y403-N405 PolarHBondContact O-N 2.98Å; Y403-N406 PolarHBondContact O-N 3.4Å; Y403-L407 WeakPolarHBondContact O-CD1 3.31Å; Y403-L407 PolarHBondContact O-N 3.13Å; Y403-L410 HydrophobicContact CD1-CD1 4.06Å; Y403-L410 HydrophobicContact CD2-CD2 4.44Å; Y403-L410 HydrophobicContact CG-CD1 3.91Å; Y403-L410 HydrophobicContact CG-CD2 4.47Å; Y403-L410 HydrophobicContact CG-CG 4.38Å; Y403-I414 HydrophobicContact CE1-CD1 4.25Å; Y403-I414 HydrophobicContact CE2-CG2 3.91Å
404	E	77	Confident	82.7	Confident	98 Å²	98	70.4 Å²	70.4	46%	0.458	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-42.7	-40.3	-173.8	179.7	167.1	-177.5	0	0	114.8	K369 A400	K369-E404 HydrophobicContact CD-CG 4.07Å; K369-E404 WeakPolarHBondContact CE-OE1 3.49Å; K369-E404 IonicContact NZ-OE1 3.95Å; K369-E404 PolarHBondContact NZ-OE1 2.96Å; K369-E404 IonicContact NZ-OE2 3.58Å; K369-E404 PolarHBondContact NZ-OE2 3.31Å; A400-E404 WeakPolarHBondContact O-CA 3.37Å; A400-E404 PolarHBondContact O-N 3.42Å
405	N	77.9	Confident	82.5	Confident	149 Å²	149	67.5 Å²	67.5	80%	0.797	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-8.6	-177.1	-64.7	-32.1	0	0	0	115.1	Y403	Y403-N405 PolarHBondContact O-N 2.98Å
406	N	80	Confident	82.4	Confident	103 Å²	103	63.6 Å²	63.6	55%	0.551	35%	0.346	S	S	*	.			trans	-133.9	24.1	-169.7	-80.5	-27.7	0	0	0	114	Y403 A408 S409 L410	Y403-N406 PolarHBondContact O-N 3.4Å; N406-A408 VanDerWaalsContact C-N 3.26Å; N406-A408 PolarHBondContact O-N 3.47Å; N406-A408 VanDerWaalsContact O-N 3.14Å; N406-S409 PolarHBondContact O-N 2.83Å; N406-S409 PolarHBondContact O-OG 3.06Å; N406-L410 VanDerWaalsContact O-CD1 3.31Å; N406-L410 WeakPolarHBondContact O-CD1 3.49Å
407	L	75.9	Confident	82.3	Confident	21 Å²	21	67.4 Å²	67.4	11%	0.11	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-51.4	-39.8	-175.9	-113.6	68.7	0	0	0	114	K369 T372 L373 Y403 S409 L410	K369-L407 HydrophobicContact CB-CD2 3.9Å; K369-L407 WeakPolarHBondContact O-CD2 3.49Å; T372-L407 HydrophobicContact CG2-CD2 4.18Å; L373-L407 HydrophobicContact CD2-CD2 4.29Å; L373-L407 HydrophobicContact CD2-CG 3.85Å; L373-L407 HydrophobicContact CG-CD2 3.98Å; L373-L407 HydrophobicContact CG-CG 4.04Å; Y403-L407 WeakPolarHBondContact O-CD1 3.31Å; Y403-L407 PolarHBondContact O-N 3.13Å; L407-S409 PolarHBondContact O-N 3.18Å; L407-L410 WeakPolarHBondContact O-CD1 3.44Å
408	A	70.8	Confident	82.3	Confident	101 Å²	101	66.8 Å²	66.8	84%	0.835	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-72.9	-10.9	-178.7	0	0	0	0	0	114.8	N406	N406-A408 VanDerWaalsContact C-N 3.26Å; N406-A408 PolarHBondContact O-N 3.47Å; N406-A408 VanDerWaalsContact O-N 3.14Å
409	S	76.3	Confident	82.3	Confident	79 Å²	79	60.7 Å²	60.7	55%	0.552	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-106.8	5.3	-178.8	70.1	0	0	0	0	114	N406 L407 T411	N406-S409 PolarHBondContact O-N 2.83Å; N406-S409 PolarHBondContact O-OG 3.06Å; L407-S409 PolarHBondContact O-N 3.18Å; S409-T411 PolarHBondContact O-N 3.42Å; S409-T411 VanDerWaalsContact O-N 3.1Å
410	L	78.1	Confident	82.2	Confident	23 Å²	23	64.1 Å²	64.1	12%	0.12	35%	0.353	C	S	.	.			trans	-62.1	119	178.6	-91.7	72.4	0	0	0	109.7	L373 Y403 N406 L407 I414 L415	L373-L410 HydrophobicContact CD2-CD2 3.86Å; Y403-L410 HydrophobicContact CD1-CD1 4.06Å; Y403-L410 HydrophobicContact CD2-CD2 4.44Å; Y403-L410 HydrophobicContact CG-CD1 3.91Å; Y403-L410 HydrophobicContact CG-CD2 4.47Å; Y403-L410 HydrophobicContact CG-CG 4.38Å; N406-L410 VanDerWaalsContact O-CD1 3.31Å; N406-L410 WeakPolarHBondContact O-CD1 3.49Å; L407-L410 WeakPolarHBondContact O-CD1 3.44Å; L410-I414 HydrophobicContact CD2-CB 4.47Å; L410-I414 HydrophobicContact CD2-CG2 3.8Å; L410-I414 HydrophobicContact CG-CB 4.44Å; L410-I414 HydrophobicContact CG-CG2 4.09Å; L410-L415 HydrophobicContact CB-CD2 4.33Å; L410-L415 HydrophobicContact CB-CG 4.26Å; L410-L415 HydrophobicContact CD2-CD2 3.89Å; L410-L415 HydrophobicContact CD2-CG 4.47Å
411	T	83.7	Confident	82.1	Confident	77 Å²	77	67.8 Å²	67.8	47%	0.472	37%	0.372	S	S	.	.			trans	-64.2	150.8	171	54.2	0	0	0	0	110.1	S409 D413 I414 L415	S409-T411 PolarHBondContact O-N 3.42Å; S409-T411 VanDerWaalsContact O-N 3.1Å; T411-D413 PolarHBondContact O-N 2.98Å; T411-I414 PolarHBondContact O-N 3.4Å; T411-I414 WeakPolarHBondContact OG1-CG1 3.49Å; T411-L415 PolarHBondContact O-N 3.13Å
412	S	80	Confident	82.2	Confident	49 Å²	49	61.9 Å²	61.9	34%	0.343	35%	0.351	S	S	.	.	H	α-helix	trans	-49.4	-34.4	174.1	-51.7	0	0	0	0	112.6	I414 L415 L416	S412-I414 VanDerWaalsContact C-N 3.33Å; S412-I414 PolarHBondContact O-N 3.42Å; S412-L415 PolarHBondContact O-N 2.97Å; S412-L416 WeakPolarHBondContact O-CD1 3.31Å; S412-L416 WeakPolarHBondContact O-CG 3.24Å; S412-L416 PolarHBondContact O-N 2.76Å; S412-L416 VanDerWaalsContact O-N 3.08Å
413	D	83.9	Confident	82.2	Confident	91 Å²	91	64 Å²	64	49%	0.487	36%	0.357	S	S	.	.	H	α-helix	trans	-59.1	-36.9	176.9	-82	-48.6	0	0	0	115.1	T411 R426	T411-D413 PolarHBondContact O-N 2.98Å; D413-R426 PolarHBondContact O-NH2 3.18Å; D413-R426 IonicContact OD1-CZ 3.88Å; D413-R426 IonicContact OD1-NH1 3.93Å; D413-R426 PolarHBondContact OD1-NH1 3.27Å; D413-R426 IonicContact OD1-NH2 3.7Å; D413-R426 PolarHBondContact OD1-NH2 3.18Å
414	I	85.6	Confident	82.3	Confident	40 Å²	40	62.7 Å²	62.7	21%	0.205	36%	0.359	C	S	.	.	H	α-helix	trans	-76.7	-44.1	-179.4	-63	167.8	0	0	0	109.6	L399 Y403 L410 T411 S412 L416 T417	L399-I414 HydrophobicContact CD2-CG2 3.78Å; Y403-I414 HydrophobicContact CE1-CD1 4.25Å; Y403-I414 HydrophobicContact CE2-CG2 3.91Å; L410-I414 HydrophobicContact CD2-CB 4.47Å; L410-I414 HydrophobicContact CD2-CG2 3.8Å; L410-I414 HydrophobicContact CG-CB 4.44Å; L410-I414 HydrophobicContact CG-CG2 4.09Å; T411-I414 PolarHBondContact O-N 3.4Å; T411-I414 WeakPolarHBondContact OG1-CG1 3.49Å; S412-I414 VanDerWaalsContact C-N 3.33Å; S412-I414 PolarHBondContact O-N 3.42Å; I414-L416 PolarHBondContact O-N 3.23Å; I414-T417 WeakPolarHBondContact O-CB 3.37Å; I414-T417 WeakPolarHBondContact O-CG2 3.4Å; I414-T417 PolarHBondContact O-N 2.82Å; I414-T417 PolarHBondContact O-OG1 3.22Å
415	L	85.2	Confident	82.6	Confident	5 Å²	5	58.2 Å²	58.2	3%	0.026	34%	0.338	C	S	.	.	H	α-helix	trans	-58.6	-36.5	176.9	-68.9	174.5	0	0	0	111.8	L373 E376 L377 L380 L410 T411 S412 T417 C418	L373-L415 HydrophobicContact CD2-CD2 3.86Å; E376-L415 HydrophobicContact CB-CD1 4.15Å; L377-L415 HydrophobicContact CD2-CB 3.93Å; L377-L415 HydrophobicContact CG-CD2 4.49Å; L380-L415 HydrophobicContact CD1-CD1 4.26Å; L410-L415 HydrophobicContact CB-CD2 4.33Å; L410-L415 HydrophobicContact CB-CG 4.26Å; L410-L415 HydrophobicContact CD2-CD2 3.89Å; L410-L415 HydrophobicContact CD2-CG 4.47Å; T411-L415 PolarHBondContact O-N 3.13Å; S412-L415 PolarHBondContact O-N 2.97Å; L415-T417 PolarHBondContact O-N 3.38Å; L415-T417 VanDerWaalsContact O-N 3.12Å; L415-C418 PolarHBondContact O-N 3.46Å; L415-C418 PolarHBondContact O-SG 2.91Å
416	L	87	Confident	82.9	Confident	2 Å²	2	55.3 Å²	55.3	1%	0.01	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-63.5	-17.3	177.5	-69.3	165.2	0	0	0	113.6	S412 I414 C418 I419 S422 I425 R426 M429	S412-L416 WeakPolarHBondContact O-CD1 3.31Å; S412-L416 WeakPolarHBondContact O-CG 3.24Å; S412-L416 PolarHBondContact O-N 2.76Å; S412-L416 VanDerWaalsContact O-N 3.08Å; I414-L416 PolarHBondContact O-N 3.23Å; L416-C418 VanDerWaalsContact C-N 3.33Å; L416-C418 PolarHBondContact O-N 3.26Å; L416-I419 HydrophobicContact CD2-CD1 3.88Å; L416-I419 PolarHBondContact O-N 3.48Å; L416-S422 WeakPolarHBondContact O-CB 3.42Å; L416-I425 HydrophobicContact CD2-CB 4.15Å; L416-I425 HydrophobicContact CD2-CG2 3.43Å; L416-I425 VanDerWaalsContact CD2-CG2 3.43Å; L416-R426 HydrophobicContact CD1-CG 3.71Å; L416-M429 HydrophobicContact CD1-CE 4.47Å; L416-M429 HydrophobicContact CD1-SD 3.88Å; L416-M429 HydrophobicContact CD2-SD 4.14Å
417	T	87.2	Confident	83.1	Confident	79 Å²	79	58.7 Å²	58.7	49%	0.485	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-72.1	-23.1	-177.8	65.4	0	0	0	0	114.1	I414 L415 I419	I414-T417 WeakPolarHBondContact O-CB 3.37Å; I414-T417 WeakPolarHBondContact O-CG2 3.4Å; I414-T417 PolarHBondContact O-N 2.82Å; I414-T417 PolarHBondContact O-OG1 3.22Å; L415-T417 PolarHBondContact O-N 3.38Å; L415-T417 VanDerWaalsContact O-N 3.12Å; T417-I419 VanDerWaalsContact C-N 3.33Å
418	C	86.3	Confident	83.4	Confident	0 Å²	0	60 Å²	60	0%	0	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-86.1	-4.2	174.9	62.4	0	0	0	0	113.5	V391 N392 K395 L396 L399 L415 L416	V391-C418 HydrophobicContact CG1-CB 4.18Å; N392-C418 PolarHBondContact N-O 3.45Å; K395-C418 HydrophobicContact CB-CB 3.78Å; L396-C418 HydrophobicContact CB-CB 4.32Å; L399-C418 HydrophobicContact CD1-CB 3.74Å; L415-C418 PolarHBondContact O-N 3.46Å; L415-C418 PolarHBondContact O-SG 2.91Å; L416-C418 VanDerWaalsContact C-N 3.33Å; L416-C418 PolarHBondContact O-N 3.26Å
419	I	88.1	Confident	84	Confident	3 Å²	3	56.6 Å²	56.6	2%	0.015	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-96.7	131.4	-178.4	-41.9	-177.3	0	0	0	110	L377 F381 A389 V390 V391 L416 T417 S422 I425	L377-I419 HydrophobicContact CD2-CD1 3.99Å; L377-I419 HydrophobicContact CD2-CG1 4.39Å; F381-I419 HydrophobicContact CE1-CD1 3.57Å; F381-I419 HydrophobicContact CZ-CD1 3.65Å; A389-I419 HydrophobicContact CB-CG2 4.38Å; V390-I419 VanDerWaalsContact O-CG2 3.29Å; V390-I419 WeakPolarHBondContact O-CG2 3.4Å; V391-I419 HydrophobicContact CG2-CG1 4.23Å; L416-I419 HydrophobicContact CD2-CD1 3.88Å; L416-I419 PolarHBondContact O-N 3.48Å; T417-I419 VanDerWaalsContact C-N 3.33Å; I419-S422 WeakPolarHBondContact O-CB 3.48Å; I419-S422 PolarHBondContact O-N 3.48Å; I419-I425 HydrophobicContact CD1-CD1 3.92Å; I419-I425 HydrophobicContact CG2-CD1 3.68Å
420	E	84.4	Confident	84.4	Confident	86 Å²	86	58.3 Å²	58.3	40%	0.402	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-44.6	179.9	-67.3	-58.1	143.9	0	0	111.6	W341 V390 N392 K395 S422	W341-E420 HydrophobicContact CE3-CG 4.16Å; W341-E420 HydrophobicContact CH2-CG 4.15Å; W341-E420 HydrophobicContact CZ3-CG 3.38Å; W341-E420 WeakPolarHBondContact CZ3-OE1 3.49Å; V390-E420 PolarHBondContact O-N 3.14Å; N392-E420 PolarHBondContact ND2-OE1 3.31Å; K395-E420 IonicContact NZ-OE1 2.72Å; K395-E420 PolarHBondContact NZ-OE1 2.83Å; K395-E420 IonicContact NZ-OE2 3.62Å; E420-S422 PolarHBondContact O-N 2.79Å; E420-S422 VanDerWaalsContact O-N 3.11Å
421	D	83.4	Confident	84.5	Confident	78 Å²	78	61.4 Å²	61.4	42%	0.417	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	38.1	178.1	-160.4	14	0	0	0	113.7	Q423 T424 I425	D421-Q423 VanDerWaalsContact C-N 3.26Å; D421-Q423 PolarHBondContact O-N 3.45Å; D421-T424 VanDerWaalsContact CG-OG1 3.28Å; D421-T424 PolarHBondContact O-N 3.03Å; D421-T424 WeakPolarHBondContact OD1-CB 3.47Å; D421-T424 PolarHBondContact OD1-OG1 2.96Å; D421-T424 WeakPolarHBondContact OD2-CB 3.39Å; D421-T424 PolarHBondContact OD2-OG1 3.02Å; D421-I425 WeakPolarHBondContact O-CG1 3.47Å; D421-I425 PolarHBondContact O-N 3.17Å; D421-I425 VanDerWaalsContact O-N 3.14Å
422	S	87	Confident	84.1	Confident	29 Å²	29	64 Å²	64	20%	0.203	33%	0.334	C	S	.	.	H	α-helix	trans	-58.2	-35.1	-176.7	62	0	0	0	0	113.3	L416 I419 E420 R426	L416-S422 WeakPolarHBondContact O-CB 3.42Å; I419-S422 WeakPolarHBondContact O-CB 3.48Å; I419-S422 PolarHBondContact O-N 3.48Å; E420-S422 PolarHBondContact O-N 2.79Å; E420-S422 VanDerWaalsContact O-N 3.11Å; S422-R426 WeakPolarHBondContact O-CB 3.5Å; S422-R426 WeakPolarHBondContact O-CD 3.21Å; S422-R426 WeakPolarHBondContact O-CG 3.36Å; S422-R426 PolarHBondContact O-N 2.94Å
423	Q	84.6	Confident	84	Confident	141 Å²	141	63.2 Å²	63.2	66%	0.659	33%	0.333	S	S	*	.	H	α-helix	trans	-68.6	-41.1	-179.7	-68.7	-169.7	-0.5	0	0	112.5	D421 R426 R427	D421-Q423 VanDerWaalsContact C-N 3.26Å; D421-Q423 PolarHBondContact O-N 3.45Å; Q423-R426 PolarHBondContact O-N 3.36Å; Q423-R427 WeakPolarHBondContact O-CG 3.37Å; Q423-R427 PolarHBondContact O-N 2.86Å
424	T	84.8	Confident	83.8	Confident	63 Å²	63	59 Å²	59	39%	0.387	31%	0.312	S	S	.	.	H	α-helix	trans	-68.4	-43.3	177.8	-55.5	0	0	0	0	110.4	D421 R426 R427 I428	D421-T424 VanDerWaalsContact CG-OG1 3.28Å; D421-T424 PolarHBondContact O-N 3.03Å; D421-T424 WeakPolarHBondContact OD1-CB 3.47Å; D421-T424 PolarHBondContact OD1-OG1 2.96Å; D421-T424 WeakPolarHBondContact OD2-CB 3.39Å; D421-T424 PolarHBondContact OD2-OG1 3.02Å; T424-R426 VanDerWaalsContact C-N 3.32Å; T424-R426 PolarHBondContact O-N 3.4Å; T424-R427 WeakPolarHBondContact O-CB 3.43Å; T424-R427 PolarHBondContact O-N 2.99Å; T424-R427 VanDerWaalsContact O-N 3.16Å; T424-I428 HydrophobicContact CG2-CD1 4.43Å; T424-I428 WeakPolarHBondContact O-CG1 3.04Å; T424-I428 PolarHBondContact O-N 3.36Å; T424-I428 VanDerWaalsContact O-N 3.12Å
425	I	84.3	Confident	83.4	Confident	4 Å²	4	58.7 Å²	58.7	2%	0.021	31%	0.313	C	S	.	.	H	α-helix	trans	-60.1	-42.3	175.5	-68.7	173.8	0	0	0	111.4	F381 I386 A389 L416 I419 D421 R427 I428 M429	F381-I425 HydrophobicContact CE1-CD1 4.23Å; I386-I425 HydrophobicContact CD1-CB 4.47Å; I386-I425 HydrophobicContact CD1-CG1 4.39Å; I386-I425 HydrophobicContact CD1-CG2 3.49Å; I386-I425 VanDerWaalsContact CD1-CG2 3.49Å; I386-I425 HydrophobicContact CG2-CD1 4.3Å; I386-I425 HydrophobicContact CG2-CG1 4.26Å; A389-I425 HydrophobicContact CB-CD1 4.02Å; L416-I425 HydrophobicContact CD2-CB 4.15Å; L416-I425 HydrophobicContact CD2-CG2 3.43Å; L416-I425 VanDerWaalsContact CD2-CG2 3.43Å; I419-I425 HydrophobicContact CD1-CD1 3.92Å; I419-I425 HydrophobicContact CG2-CD1 3.68Å; D421-I425 WeakPolarHBondContact O-CG1 3.47Å; D421-I425 PolarHBondContact O-N 3.17Å; D421-I425 VanDerWaalsContact O-N 3.14Å; I425-R427 VanDerWaalsContact C-N 3.31Å; I425-R427 PolarHBondContact O-N 2.94Å; I425-I428 WeakPolarHBondContact O-CB 3.45Å; I425-I428 PolarHBondContact O-N 2.89Å; I425-M429 HydrophobicContact CG2-CG 4.32Å; I425-M429 HydrophobicContact CG2-SD 3.98Å; I425-M429 WeakPolarHBondContact O-CG 3.24Å; I425-M429 PolarHBondContact O-N 3.2Å
426	R	85	Confident	83.2	Confident	88 Å²	88	62.1 Å²	62.1	33%	0.332	33%	0.328	S	S	.	.	H	α-helix	trans	-57.4	-42.7	175.5	-78.6	169.2	175.6	-71.8	-4.2	112.5	D413 L416 S422 Q423 T424 M429 T430	D413-R426 PolarHBondContact O-NH2 3.18Å; D413-R426 IonicContact OD1-CZ 3.88Å; D413-R426 IonicContact OD1-NH1 3.93Å; D413-R426 PolarHBondContact OD1-NH1 3.27Å; D413-R426 IonicContact OD1-NH2 3.7Å; D413-R426 PolarHBondContact OD1-NH2 3.18Å; L416-R426 HydrophobicContact CD1-CG 3.71Å; S422-R426 WeakPolarHBondContact O-CB 3.5Å; S422-R426 WeakPolarHBondContact O-CD 3.21Å; S422-R426 WeakPolarHBondContact O-CG 3.36Å; S422-R426 PolarHBondContact O-N 2.94Å; Q423-R426 PolarHBondContact O-N 3.36Å; T424-R426 VanDerWaalsContact C-N 3.32Å; T424-R426 PolarHBondContact O-N 3.4Å; R426-M429 PolarHBondContact O-N 2.99Å; R426-T430 WeakPolarHBondContact O-CG2 3.5Å; R426-T430 PolarHBondContact O-N 2.78Å; R426-T430 VanDerWaalsContact O-N 3.09Å; R426-T430 PolarHBondContact O-OG1 3.28Å
427	R	83.2	Confident	82.9	Confident	173 Å²	173	69.3 Å²	69.3	65%	0.653	36%	0.355	S	S	*	.	H	α-helix	trans	-61.6	-45.7	177	-70.5	177	-177.9	179.4	2.6	111.1	Q423 T424 I425 M429 T430 E431	Q423-R427 WeakPolarHBondContact O-CG 3.37Å; Q423-R427 PolarHBondContact O-N 2.86Å; T424-R427 WeakPolarHBondContact O-CB 3.43Å; T424-R427 PolarHBondContact O-N 2.99Å; T424-R427 VanDerWaalsContact O-N 3.16Å; I425-R427 VanDerWaalsContact C-N 3.31Å; I425-R427 PolarHBondContact O-N 2.94Å; R427-M429 VanDerWaalsContact C-N 3.34Å; R427-M429 PolarHBondContact O-N 3.27Å; R427-T430 WeakPolarHBondContact CA-OG1 3.37Å; R427-T430 PolarHBondContact O-N 2.71Å; R427-T430 PolarHBondContact O-OG1 3.21Å; R427-E431 PolarHBondContact O-N 2.84Å
428	I	83.2	Confident	82.4	Confident	48 Å²	48	65.9 Å²	65.9	25%	0.246	34%	0.335	C	S	.	.	H	α-helix	trans	-59	-45.8	176.5	-63.6	168.2	0	0	0	110.4	T424 I425 T430 E431 S434	T424-I428 HydrophobicContact CG2-CD1 4.43Å; T424-I428 WeakPolarHBondContact O-CG1 3.04Å; T424-I428 PolarHBondContact O-N 3.36Å; T424-I428 VanDerWaalsContact O-N 3.12Å; I425-I428 WeakPolarHBondContact O-CB 3.45Å; I425-I428 PolarHBondContact O-N 2.89Å; I428-T430 VanDerWaalsContact C-N 3.28Å; I428-T430 PolarHBondContact O-N 2.97Å; I428-E431 PolarHBondContact O-N 3.02Å; I428-S434 WeakPolarHBondContact O-CB 3.43Å; I428-S434 PolarHBondContact O-OG 2.91Å
429	M	83.4	Confident	82	Confident	31 Å²	31	73 Å²	73	15%	0.153	36%	0.362	C	S	.	.	H	α-helix	trans	-61.7	-34.8	179.3	-69.4	172.9	73	0	0	113.1	L380 Y384 L416 I425 R426 R427 S434	L380-M429 HydrophobicContact CD2-SD 4.34Å; Y384-M429 HydrophobicContact CD1-CB 4.05Å; Y384-M429 HydrophobicContact CD1-CG 3.84Å; Y384-M429 HydrophobicContact CD2-CE 4.05Å; Y384-M429 HydrophobicContact CD2-CG 3.73Å; Y384-M429 HydrophobicContact CD2-SD 4.38Å; Y384-M429 HydrophobicContact CE1-CB 3.89Å; Y384-M429 HydrophobicContact CE1-CG 3.96Å; Y384-M429 HydrophobicContact CE2-CE 3.39Å; Y384-M429 HydrophobicContact CE2-CG 3.89Å; Y384-M429 HydrophobicContact CE2-SD 4.28Å; Y384-M429 HydrophobicContact CG-CB 4.43Å; Y384-M429 HydrophobicContact CG-CG 3.71Å; L416-M429 HydrophobicContact CD1-CE 4.47Å; L416-M429 HydrophobicContact CD1-SD 3.88Å; L416-M429 HydrophobicContact CD2-SD 4.14Å; I425-M429 HydrophobicContact CG2-CG 4.32Å; I425-M429 HydrophobicContact CG2-SD 3.98Å; I425-M429 WeakPolarHBondContact O-CG 3.24Å; I425-M429 PolarHBondContact O-N 3.2Å; R426-M429 PolarHBondContact O-N 2.99Å; R427-M429 VanDerWaalsContact C-N 3.34Å; R427-M429 PolarHBondContact O-N 3.27Å; M429-S434 PolarHBondContact O-OG 3.32Å; M429-S434 VanDerWaalsContact O-OG 3.13Å
430	T	83.2	Confident	81.6	Confident	115 Å²	115	77.6 Å²	77.6	71%	0.706	38%	0.383	S	S	*	.	H	α-helix	trans	-79.5	-15.8	179.8	51.5	0	0	0	0	114.7	R426 R427 I428 P432	R426-T430 WeakPolarHBondContact O-CG2 3.5Å; R426-T430 PolarHBondContact O-N 2.78Å; R426-T430 VanDerWaalsContact O-N 3.09Å; R426-T430 PolarHBondContact O-OG1 3.28Å; R427-T430 WeakPolarHBondContact CA-OG1 3.37Å; R427-T430 PolarHBondContact O-N 2.71Å; R427-T430 PolarHBondContact O-OG1 3.21Å; I428-T430 VanDerWaalsContact C-N 3.28Å; I428-T430 PolarHBondContact O-N 2.97Å; T430-P432 WeakPolarHBondContact O-CD 3.37Å
431	E	81	Confident	81.5	Confident	87 Å²	87	73.5 Å²	73.5	41%	0.407	36%	0.364	S	S	.	.	S	Bend	trans	-65.2	127.1	179.4	-81.3	-174.1	-180	0	0	111.6	R427 I428 G433 S434 R437	R427-E431 PolarHBondContact O-N 2.84Å; I428-E431 PolarHBondContact O-N 3.02Å; E431-G433 PolarHBondContact O-N 3.08Å; E431-G433 VanDerWaalsContact O-N 3.14Å; E431-S434 WeakPolarHBondContact O-CB 3.33Å; E431-S434 PolarHBondContact O-N 2.83Å; E431-S434 PolarHBondContact O-OG 2.67Å; E431-R437 IonicContact OE2-CZ 2.84Å; E431-R437 IonicContact OE2-NH1 3.26Å; E431-R437 PolarHBondContact OE2-NH1 3.1Å; E431-R437 IonicContact OE2-NH2 3.25Å; E431-R437 PolarHBondContact OE2-NH2 2.95Å
432	P	75.7	Confident	81.5	Confident	131 Å²	131	74.5 Å²	74.5	85%	0.851	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	122.5	173.5	-24.7	33.8	0	0	0	111.3	T430	T430-P432 WeakPolarHBondContact O-CD 3.37Å
433	G	78	Confident	81.5	Confident	33 Å²	33	76.5 Å²	76.5	34%	0.34	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.5	-5.7	-178.8	0	0	0	0	0	115.2	E431 S435 F436	E431-G433 PolarHBondContact O-N 3.08Å; E431-G433 VanDerWaalsContact O-N 3.14Å; G433-S435 PolarHBondContact O-N 3.31Å; G433-F436 PolarHBondContact O-N 2.99Å
434	S	79.3	Confident	81.4	Confident	4 Å²	4	72.7 Å²	72.7	3%	0.028	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-56.8	-36.3	175.4	64.1	0	0	0	0	113.1	I428 M429 E431 F436 R437	I428-S434 WeakPolarHBondContact O-CB 3.43Å; I428-S434 PolarHBondContact O-OG 2.91Å; M429-S434 PolarHBondContact O-OG 3.32Å; M429-S434 VanDerWaalsContact O-OG 3.13Å; E431-S434 WeakPolarHBondContact O-CB 3.33Å; E431-S434 PolarHBondContact O-N 2.83Å; E431-S434 PolarHBondContact O-OG 2.67Å; S434-F436 PolarHBondContact O-N 3.35Å; S434-R437 WeakPolarHBondContact O-CB 3.13Å; S434-R437 PolarHBondContact O-N 3.19Å
435	S	78.2	Confident	81.4	Confident	33 Å²	33	71 Å²	71	23%	0.231	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-60.5	-12.8	176.4	64.4	0	0	0	0	114.6	G433 R444	G433-S435 PolarHBondContact O-N 3.31Å; S435-R444 PolarHBondContact O-NH1 3.35Å
436	F	80.9	Confident	81.6	Confident	77 Å²	77	72.8 Å²	72.8	34%	0.338	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-105.5	4.1	177.3	-47.5	-62.5	0	0	0	113.3	G433 S434 G441 R444 A445 K448	G433-F436 PolarHBondContact O-N 2.99Å; S434-F436 PolarHBondContact O-N 3.35Å; F436-G441 WeakPolarHBondContact O-CA 3.23Å; F436-R444 HydrophobicContact CD1-CB 3.92Å; F436-R444 HydrophobicContact CE1-CB 4.17Å; F436-A445 HydrophobicContact CB-CB 4.45Å; F436-A445 HydrophobicContact CD1-CB 3.82Å; F436-A445 HydrophobicContact CE1-CB 4.28Å; F436-A445 HydrophobicContact CG-CB 4.15Å; F436-K448 HydrophobicContact CE1-CB 4.23Å; F436-K448 HydrophobicContact CZ-CB 4.25Å; F436-K448 HydrophobicContact CZ-CG 4.28Å
437	R	79.2	Confident	81.8	Confident	153 Å²	153	73 Å²	73	58%	0.577	38%	0.38	S	S	*	.	S	Bend	trans	-86.8	-13.7	175.7	-65.9	-170.2	-175.6	165.1	12	113.6	E431 S434	E431-R437 IonicContact OE2-CZ 2.84Å; E431-R437 IonicContact OE2-NH1 3.26Å; E431-R437 PolarHBondContact OE2-NH1 3.1Å; E431-R437 IonicContact OE2-NH2 3.25Å; E431-R437 PolarHBondContact OE2-NH2 2.95Å; S434-R437 WeakPolarHBondContact O-CB 3.13Å; S434-R437 PolarHBondContact O-N 3.19Å
438	G	77.9	Confident	82	Confident	7 Å²	7	70.6 Å²	70.6	7%	0.072	37%	0.374	C	S	.	.	S	Bend	trans	-63.5	170.6	176.3	0	0	0	0	0	115.3	D382 Q440 G441	D382-G438 WeakPolarHBondContact O-CA 3.33Å; G438-Q440 PolarHBondContact O-N 3.3Å; G438-G441 WeakPolarHBondContact O-CA 3.26Å; G438-G441 PolarHBondContact O-N 3.45Å
439	R	77.7	Confident	82.2	Confident	150 Å²	150	74 Å²	74	57%	0.566	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-37.6	176.4	-78.8	-178.4	-93.1	-151.6	-11.6	112.3	E346 V348 D382 G441	E346-R439 PolarHBondContact O-NH2 3.11Å; V348-R439 VanDerWaalsContact CG2-NH2 3.34Å; D382-R439 WeakPolarHBondContact OD1-CB 3.45Å; D382-R439 VanDerWaalsContact OD1-CG 3.28Å; D382-R439 WeakPolarHBondContact OD1-CG 3.38Å; D382-R439 IonicContact OD1-CZ 3.47Å; D382-R439 PolarHBondContact OD1-N 3.39Å; D382-R439 IonicContact OD1-NE 3.19Å; D382-R439 PolarHBondContact OD1-NE 3.32Å; D382-R439 IonicContact OD1-NH2 2.6Å; R439-G441 VanDerWaalsContact C-N 3.28Å; R439-G441 PolarHBondContact O-N 3.15Å
440	Q	79.2	Confident	82.7	Confident	98 Å²	98	76.5 Å²	76.5	46%	0.458	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	12	175.2	-62.9	-61.6	-21.3	0	0	114	G438 T443 R444	G438-Q440 PolarHBondContact O-N 3.3Å; Q440-T443 WeakPolarHBondContact O-CB 3.41Å; Q440-T443 PolarHBondContact O-N 3.01Å; Q440-T443 PolarHBondContact OE1-OG1 3.15Å; Q440-R444 WeakPolarHBondContact O-CG 3.24Å; Q440-R444 PolarHBondContact O-N 3.27Å
441	G	82.6	Confident	83.2	Confident	1 Å²	1	73.7 Å²	73.7	1%	0.01	39%	0.388	C	S	.	.	H	α-helix	trans	-55	-50.8	-176.9	0	0	0	0	0	114.7	F436 G438 R439 T443 R444 A445	F436-G441 WeakPolarHBondContact O-CA 3.23Å; G438-G441 WeakPolarHBondContact O-CA 3.26Å; G438-G441 PolarHBondContact O-N 3.45Å; R439-G441 VanDerWaalsContact C-N 3.28Å; R439-G441 PolarHBondContact O-N 3.15Å; G441-T443 VanDerWaalsContact C-N 3.33Å; G441-T443 PolarHBondContact O-N 3.5Å; G441-R444 PolarHBondContact O-N 2.97Å; G441-A445 WeakPolarHBondContact O-CB 3.27Å; G441-A445 PolarHBondContact O-N 3.17Å
442	P	83.9	Confident	83.7	Confident	98 Å²	98	72.6 Å²	72.6	64%	0.636	39%	0.388	S	S	*	.	H	α-helix	trans	-58.1	-42.8	175.1	-25.5	34.8	0	0	0	112.7	R444 A445 A446	P442-R444 PolarHBondContact O-N 3.14Å; P442-A445 PolarHBondContact O-N 2.83Å; P442-A446 WeakPolarHBondContact O-CB 3.26Å; P442-A446 PolarHBondContact O-N 2.84Å
443	T	86.2	Confident	84.4	Confident	72 Å²	72	72.6 Å²	72.6	44%	0.442	37%	0.374	S	S	.	.	H	α-helix	trans	-61.2	-44.8	177	-47.9	0	0	0	0	111.1	Q440 G441 A446 I447	Q440-T443 WeakPolarHBondContact O-CB 3.41Å; Q440-T443 PolarHBondContact O-N 3.01Å; Q440-T443 PolarHBondContact OE1-OG1 3.15Å; G441-T443 VanDerWaalsContact C-N 3.33Å; G441-T443 PolarHBondContact O-N 3.5Å; T443-A446 WeakPolarHBondContact O-CB 3.21Å; T443-A446 PolarHBondContact O-N 3.46Å; T443-I447 HydrophobicContact CG2-CD1 4.17Å; T443-I447 VanDerWaalsContact O-CG1 3.28Å; T443-I447 WeakPolarHBondContact O-CG1 3.26Å; T443-I447 PolarHBondContact O-N 3.32Å
444	R	82.7	Confident	85.1	Confident	61 Å²	61	77.9 Å²	77.9	23%	0.23	38%	0.384	C	S	.	.	H	α-helix	trans	-68.6	-39.6	178.3	-70.4	175.8	-173.5	167.6	3.1	112.8	F383 S435 F436 Q440 G441 P442 A446 I447 K448	F383-R444 VanDerWaalsContact CA-NH1 3.33Å; F383-R444 VanDerWaalsContact CE2-CZ 3.41Å; F383-R444 VanDerWaalsContact CE2-NH1 3.32Å; F383-R444 PolarHBondContact O-NH1 3.42Å; S435-R444 PolarHBondContact O-NH1 3.35Å; F436-R444 HydrophobicContact CD1-CB 3.92Å; F436-R444 HydrophobicContact CE1-CB 4.17Å; Q440-R444 WeakPolarHBondContact O-CG 3.24Å; Q440-R444 PolarHBondContact O-N 3.27Å; G441-R444 PolarHBondContact O-N 2.97Å; P442-R444 PolarHBondContact O-N 3.14Å; R444-A446 VanDerWaalsContact C-N 3.31Å; R444-I447 PolarHBondContact O-N 2.63Å; R444-K448 WeakPolarHBondContact O-CB 3.32Å; R444-K448 PolarHBondContact O-N 3.35Å
445	A	84.8	Confident	85.7	Confident	27 Å²	27	85.4 Å²	85.4	22%	0.223	41%	0.412	C	S	.	.	H	α-helix	trans	-60.4	-45.6	173.7	0	0	0	0	0	109.8	F436 G441 P442 I447 K448 I449	F436-A445 HydrophobicContact CB-CB 4.45Å; F436-A445 HydrophobicContact CD1-CB 3.82Å; F436-A445 HydrophobicContact CE1-CB 4.28Å; F436-A445 HydrophobicContact CG-CB 4.15Å; G441-A445 WeakPolarHBondContact O-CB 3.27Å; G441-A445 PolarHBondContact O-N 3.17Å; P442-A445 PolarHBondContact O-N 2.83Å; A445-I447 PolarHBondContact O-N 2.95Å; A445-K448 PolarHBondContact O-N 2.94Å; A445-I449 WeakPolarHBondContact O-CB 3.45Å; A445-I449 VanDerWaalsContact O-CG1 3.24Å; A445-I449 WeakPolarHBondContact O-CG1 3.37Å; A445-I449 PolarHBondContact O-N 3.29Å
446	A	88.6	Confident	86.4	Confident	41 Å²	41	90.3 Å²	90.3	34%	0.339	43%	0.426	S	S	.	.	H	α-helix	trans	-58.7	-48.1	174.1	0	0	0	0	0	111.9	P442 T443 R444 K448 I449 Q450	P442-A446 WeakPolarHBondContact O-CB 3.26Å; P442-A446 PolarHBondContact O-N 2.84Å; T443-A446 WeakPolarHBondContact O-CB 3.21Å; T443-A446 PolarHBondContact O-N 3.46Å; R444-A446 VanDerWaalsContact C-N 3.31Å; A446-K448 VanDerWaalsContact C-N 3.32Å; A446-K448 PolarHBondContact O-N 3.32Å; A446-I449 PolarHBondContact O-N 2.99Å; A446-Q450 VanDerWaalsContact O-CB 3.24Å; A446-Q450 WeakPolarHBondContact O-CB 3.31Å; A446-Q450 WeakPolarHBondContact O-CG 3.16Å; A446-Q450 PolarHBondContact O-N 3.32Å
447	I	88.4	Confident	87	Confident	92 Å²	92	94 Å²	94	47%	0.472	44%	0.438	S	S	.	.	H	α-helix	trans	-59.1	-42.3	176	-68.9	164.3	0	0	0	111.1	T443 R444 A445 S451	T443-I447 HydrophobicContact CG2-CD1 4.17Å; T443-I447 VanDerWaalsContact O-CG1 3.28Å; T443-I447 WeakPolarHBondContact O-CG1 3.26Å; T443-I447 PolarHBondContact O-N 3.32Å; R444-I447 PolarHBondContact O-N 2.63Å; A445-I447 PolarHBondContact O-N 2.95Å; I447-S451 VanDerWaalsContact O-CB 3.24Å; I447-S451 WeakPolarHBondContact O-CB 3.12Å; I447-S451 PolarHBondContact O-N 3.33Å; I447-S451 PolarHBondContact O-OG 2.86Å
448	K	88.1	Confident	87.6	Confident	123 Å²	123	89.2 Å²	89.2	54%	0.535	43%	0.431	S	S	.	.	H	α-helix	trans	-67.2	-43	179.7	-173.2	62.7	175.1	-171.8	0	111.9	F436 R444 A445 A446 S451 T452	F436-K448 HydrophobicContact CE1-CB 4.23Å; F436-K448 HydrophobicContact CZ-CB 4.25Å; F436-K448 HydrophobicContact CZ-CG 4.28Å; R444-K448 WeakPolarHBondContact O-CB 3.32Å; R444-K448 PolarHBondContact O-N 3.35Å; A445-K448 PolarHBondContact O-N 2.94Å; A446-K448 VanDerWaalsContact C-N 3.32Å; A446-K448 PolarHBondContact O-N 3.32Å; K448-S451 WeakPolarHBondContact CA-OG 3.13Å; K448-S451 PolarHBondContact O-OG 3.17Å; K448-T452 VanDerWaalsContact O-CB 3.27Å; K448-T452 WeakPolarHBondContact O-CB 3.12Å; K448-T452 PolarHBondContact O-N 3.01Å; K448-T452 PolarHBondContact O-OG1 2.94Å
449	I	88.3	Confident	88.3	Confident	119 Å²	119	94.2 Å²	94.2	61%	0.61	45%	0.452	S	S	*	.	H	α-helix	trans	-63.6	-50.1	175.6	-68.5	165.6	0	0	0	109.8	A445 A446 S451 T452 F453	A445-I449 WeakPolarHBondContact O-CB 3.45Å; A445-I449 VanDerWaalsContact O-CG1 3.24Å; A445-I449 WeakPolarHBondContact O-CG1 3.37Å; A445-I449 PolarHBondContact O-N 3.29Å; A446-I449 PolarHBondContact O-N 2.99Å; I449-S451 PolarHBondContact O-N 3.42Å; I449-T452 PolarHBondContact O-N 3.01Å; I449-F453 WeakPolarHBondContact O-CB 3.29Å; I449-F453 PolarHBondContact O-N 2.86Å
450	Q	92.9	Very high	88.9	Confident	85 Å²	85	93.6 Å²	93.6	40%	0.397	45%	0.454	S	S	.	.	H	α-helix	trans	-60.7	-46	179.6	-73.6	175.3	-7.5	0	0	112	A446 F453 R454	A446-Q450 VanDerWaalsContact O-CB 3.24Å; A446-Q450 WeakPolarHBondContact O-CB 3.31Å; A446-Q450 WeakPolarHBondContact O-CG 3.16Å; A446-Q450 PolarHBondContact O-N 3.32Å; Q450-F453 PolarHBondContact O-N 2.87Å; Q450-R454 WeakPolarHBondContact O-CB 3.44Å; Q450-R454 VanDerWaalsContact O-CG 3.23Å; Q450-R454 WeakPolarHBondContact O-CG 3.34Å; Q450-R454 PolarHBondContact O-N 2.98Å
451	S	93.3	Very high	89.4	Confident	56 Å²	56	93.7 Å²	93.7	39%	0.392	45%	0.454	S	S	.	.	H	α-helix	trans	-64.9	-39.7	177.6	56.9	0	0	0	0	112.2	I447 K448 I449 R454 R455	I447-S451 VanDerWaalsContact O-CB 3.24Å; I447-S451 WeakPolarHBondContact O-CB 3.12Å; I447-S451 PolarHBondContact O-N 3.33Å; I447-S451 PolarHBondContact O-OG 2.86Å; K448-S451 WeakPolarHBondContact CA-OG 3.13Å; K448-S451 PolarHBondContact O-OG 3.17Å; I449-S451 PolarHBondContact O-N 3.42Å; S451-R454 PolarHBondContact O-N 3.11Å; S451-R455 WeakPolarHBondContact O-CB 3.46Å; S451-R455 PolarHBondContact O-N 3.31Å
452	T	92	Very high	89.8	Confident	64 Å²	64	100.8 Å²	100.8	39%	0.393	48%	0.482	S	S	.	.	H	α-helix	trans	-65.2	-42.4	175.8	-56.1	0	0	0	0	111.3	K448 I449 R455 Y456	K448-T452 VanDerWaalsContact O-CB 3.27Å; K448-T452 WeakPolarHBondContact O-CB 3.12Å; K448-T452 PolarHBondContact O-N 3.01Å; K448-T452 PolarHBondContact O-OG1 2.94Å; I449-T452 PolarHBondContact O-N 3.01Å; T452-R455 WeakPolarHBondContact O-CB 3.45Å; T452-R455 PolarHBondContact O-N 3.05Å; T452-Y456 PolarHBondContact O-N 3.21Å
453	F	90.9	Very high	90.1	Very high	130 Å²	130	98.9 Å²	98.9	57%	0.57	47%	0.474	S	S	*	.	H	α-helix	trans	-66.7	-44.2	175.8	-177.5	-101.2	0	0	0	112.4	I449 Q450 R455 Y456 R457	I449-F453 WeakPolarHBondContact O-CB 3.29Å; I449-F453 PolarHBondContact O-N 2.86Å; Q450-F453 PolarHBondContact O-N 2.87Å; F453-R455 VanDerWaalsContact C-N 3.29Å; F453-R455 PolarHBondContact O-N 3.03Å; F453-Y456 PolarHBondContact O-N 3.22Å; F453-R457 WeakPolarHBondContact O-CB 3.26Å; F453-R457 PolarHBondContact O-N 3.38Å
454	R	93.3	Very high	90.4	Very high	145 Å²	145	99.1 Å²	99.1	55%	0.547	47%	0.47	S	S	.	.	H	α-helix	trans	-57.4	-43	173.7	-74.8	173.6	-177.1	-172.7	1.8	110.8	L259 Q450 S451 R457 A458	L259-R454 PolarHBondContact O-NH2 2.74Å; Q450-R454 WeakPolarHBondContact O-CB 3.44Å; Q450-R454 VanDerWaalsContact O-CG 3.23Å; Q450-R454 WeakPolarHBondContact O-CG 3.34Å; Q450-R454 PolarHBondContact O-N 2.98Å; S451-R454 PolarHBondContact O-N 3.11Å; R454-R457 PolarHBondContact O-N 3.05Å; R454-A458 WeakPolarHBondContact O-CB 2.82Å; R454-A458 PolarHBondContact O-N 2.66Å
455	R	91.5	Very high	90.8	Very high	161 Å²	161	99.8 Å²	99.8	61%	0.608	48%	0.476	S	S	*	.	H	α-helix	trans	-60	-48.8	173.9	-172.5	-176.5	79.8	166.6	3	111.9	S451 T452 F453 A458 Q459	S451-R455 WeakPolarHBondContact O-CB 3.46Å; S451-R455 PolarHBondContact O-N 3.31Å; T452-R455 WeakPolarHBondContact O-CB 3.45Å; T452-R455 PolarHBondContact O-N 3.05Å; F453-R455 VanDerWaalsContact C-N 3.29Å; F453-R455 PolarHBondContact O-N 3.03Å; R455-A458 PolarHBondContact O-N 2.89Å; R455-Q459 WeakPolarHBondContact O-CB 3.39Å; R455-Q459 WeakPolarHBondContact O-CG 3.06Å; R455-Q459 PolarHBondContact O-N 3.28Å
456	Y	92.6	Very high	91	Very high	137 Å²	137	105.2 Å²	105.2	54%	0.537	50%	0.495	S	S	.	.	H	α-helix	trans	-60.1	-46	178.2	171.5	-103.6	0	0	0	112.1	T452 F453 A458 Q459 K460	T452-Y456 PolarHBondContact O-N 3.21Å; F453-Y456 PolarHBondContact O-N 3.22Å; Y456-A458 PolarHBondContact O-N 3.41Å; Y456-Q459 PolarHBondContact O-N 2.86Å; Y456-K460 WeakPolarHBondContact O-CB 3.43Å; Y456-K460 PolarHBondContact O-N 3.4Å
457	R	93.3	Very high	91.1	Very high	155 Å²	155	111 Å²	111	59%	0.585	51%	0.508	S	S	*	.	H	α-helix	trans	-59.3	-46.2	176.4	-176.7	179.6	177.2	-179.7	0.8	111.6	F453 R454 K460 Q461	F453-R457 WeakPolarHBondContact O-CB 3.26Å; F453-R457 PolarHBondContact O-N 3.38Å; R454-R457 PolarHBondContact O-N 3.05Å; R457-K460 PolarHBondContact O-N 2.89Å; R457-Q461 WeakPolarHBondContact O-CG 3.35Å; R457-Q461 PolarHBondContact O-N 3.45Å
458	A	92.1	Very high	91.3	Very high	52 Å²	52	111.2 Å²	111.2	43%	0.43	51%	0.509	S	S	.	.	H	α-helix	trans	-63.4	-42.1	177.6	0	0	0	0	0	112.1	R454 R455 Y456 Q461 Y462	R454-A458 WeakPolarHBondContact O-CB 2.82Å; R454-A458 PolarHBondContact O-N 2.66Å; R455-A458 PolarHBondContact O-N 2.89Å; Y456-A458 PolarHBondContact O-N 3.41Å; A458-Q461 PolarHBondContact O-N 3.18Å; A458-Y462 WeakPolarHBondContact O-CB 3.41Å; A458-Y462 PolarHBondContact O-N 3.29Å
459	Q	91.2	Very high	91.3	Very high	111 Å²	111	112.1 Å²	112.1	52%	0.519	51%	0.509	S	S	.	.	H	α-helix	trans	-62.1	-43.6	175	-77	-179.9	-22.6	0	0	112.1	R455 Y456 Y462 A463	R455-Q459 WeakPolarHBondContact O-CB 3.39Å; R455-Q459 WeakPolarHBondContact O-CG 3.06Å; R455-Q459 PolarHBondContact O-N 3.28Å; Y456-Q459 PolarHBondContact O-N 2.86Å; Q459-Y462 PolarHBondContact O-N 3.36Å; Q459-A463 WeakPolarHBondContact O-CB 3.44Å; Q459-A463 PolarHBondContact O-N 3.42Å
460	K	91.4	Very high	91.2	Very high	137 Å²	137	108.2 Å²	108.2	60%	0.596	50%	0.498	S	S	*	.	H	α-helix	trans	-62.7	-44.1	176.6	-173	175.8	179.1	178.3	0	111.8	Y456 R457 A463 E464	Y456-K460 WeakPolarHBondContact O-CB 3.43Å; Y456-K460 PolarHBondContact O-N 3.4Å; R457-K460 PolarHBondContact O-N 2.89Å; K460-A463 PolarHBondContact O-N 2.83Å; K460-E464 PolarHBondContact O-N 3.08Å
461	Q	90.5	Very high	91.1	Very high	100 Å²	100	106.2 Å²	106.2	47%	0.467	50%	0.496	S	S	.	.	H	α-helix	trans	-64.2	-42.8	175.8	-75.2	178.1	-27.4	0	0	112.3	R457 A458 E464 Q465	R457-Q461 WeakPolarHBondContact O-CG 3.35Å; R457-Q461 PolarHBondContact O-N 3.45Å; A458-Q461 PolarHBondContact O-N 3.18Å; Q461-E464 PolarHBondContact O-N 3.03Å; Q461-Q465 WeakPolarHBondContact O-CG 3.4Å; Q461-Q465 PolarHBondContact O-N 3.28Å
462	Y	90.5	Very high	91	Very high	151 Å²	151	106 Å²	106	59%	0.592	50%	0.498	S	S	*	.	H	α-helix	trans	-62.7	-43	176	176.6	-99	0	0	0	112	A458 Q459 E464 Q465 K466	A458-Y462 WeakPolarHBondContact O-CB 3.41Å; A458-Y462 PolarHBondContact O-N 3.29Å; Q459-Y462 PolarHBondContact O-N 3.36Å; Y462-E464 VanDerWaalsContact C-N 3.33Å; Y462-E464 PolarHBondContact O-N 2.87Å; Y462-Q465 PolarHBondContact O-N 3.4Å; Y462-K466 WeakPolarHBondContact O-CB 3.1Å; Y462-K466 PolarHBondContact O-N 3.4Å
463	A	90.2	Very high	90.8	Very high	58 Å²	58	104.5 Å²	104.5	48%	0.479	49%	0.492	S	S	.	.	H	α-helix	trans	-60.4	-42.9	176	0	0	0	0	0	111.7	Q459 K460 K466 R467	Q459-A463 WeakPolarHBondContact O-CB 3.44Å; Q459-A463 PolarHBondContact O-N 3.42Å; K460-A463 PolarHBondContact O-N 2.83Å; A463-K466 PolarHBondContact O-N 3.45Å; A463-R467 PolarHBondContact O-N 3.26Å
464	E	92	Very high	90.7	Very high	77 Å²	77	104.2 Å²	104.2	36%	0.36	50%	0.495	S	S	.	.	H	α-helix	trans	-65.9	-44	176.1	-178.9	60.4	-173.9	0	0	112.2	K460 Q461 Y462 K466 R467 L468	K460-E464 PolarHBondContact O-N 3.08Å; Q461-E464 PolarHBondContact O-N 3.03Å; Y462-E464 VanDerWaalsContact C-N 3.33Å; Y462-E464 PolarHBondContact O-N 2.87Å; E464-K466 VanDerWaalsContact C-N 3.32Å; E464-K466 PolarHBondContact O-N 2.74Å; E464-R467 WeakPolarHBondContact O-CB 3.44Å; E464-R467 PolarHBondContact O-N 2.89Å; E464-R467 IonicContact OE1-CZ 2.68Å; E464-R467 IonicContact OE1-NE 3.42Å; E464-R467 IonicContact OE1-NH2 3.82Å; E464-R467 PolarHBondContact OE1-NH2 3.45Å; E464-R467 IonicContact OE2-CZ 2.79Å; E464-R467 IonicContact OE2-NE 3.53Å; E464-R467 PolarHBondContact OE2-NE 2.96Å; E464-R467 IonicContact OE2-NH2 3.63Å; E464-R467 PolarHBondContact OE2-NH2 2.93Å; E464-L468 HydrophobicContact CG-CD1 4.29Å; E464-L468 WeakPolarHBondContact O-CG 3.33Å; E464-L468 PolarHBondContact O-N 3.34Å
465	Q	90.2	Very high	90.5	Very high	74 Å²	74	102.8 Å²	102.8	35%	0.346	50%	0.497	S	S	.	.	H	α-helix	trans	-61.7	-39.5	174.5	-75.5	-179.1	2.4	0	0	112.3	Q461 Y462 R467 L468 R469	Q461-Q465 WeakPolarHBondContact O-CG 3.4Å; Q461-Q465 PolarHBondContact O-N 3.28Å; Y462-Q465 PolarHBondContact O-N 3.4Å; Q465-R467 VanDerWaalsContact C-N 3.35Å; Q465-L468 PolarHBondContact O-N 2.93Å; Q465-R469 WeakPolarHBondContact O-CB 3.42Å; Q465-R469 WeakPolarHBondContact O-CG 3.3Å; Q465-R469 PolarHBondContact O-N 3.42Å
466	K	89.7	Confident	90.5	Very high	142 Å²	142	97.4 Å²	97.4	62%	0.617	48%	0.484	S	S	*	.	H	α-helix	trans	-62.5	-42.6	175.1	-172.6	178.1	179.2	-178.9	0	111	Y462 A463 E464 R469 G470	Y462-K466 WeakPolarHBondContact O-CB 3.1Å; Y462-K466 PolarHBondContact O-N 3.4Å; A463-K466 PolarHBondContact O-N 3.45Å; E464-K466 VanDerWaalsContact C-N 3.32Å; E464-K466 PolarHBondContact O-N 2.74Å; K466-R469 PolarHBondContact O-N 2.97Å; K466-G470 PolarHBondContact O-N 3.37Å
467	R	91.5	Very high	90.3	Very high	163 Å²	163	95 Å²	95	62%	0.615	48%	0.484	S	S	*	.	H	α-helix	trans	-60.1	-49.3	174.2	-173.4	-179.3	76.7	116.2	2.5	111.7	A463 E464 Q465 R469 G470 A471	A463-R467 PolarHBondContact O-N 3.26Å; E464-R467 WeakPolarHBondContact O-CB 3.44Å; E464-R467 PolarHBondContact O-N 2.89Å; E464-R467 IonicContact OE1-CZ 2.68Å; E464-R467 IonicContact OE1-NE 3.42Å; E464-R467 IonicContact OE1-NH2 3.82Å; E464-R467 PolarHBondContact OE1-NH2 3.45Å; E464-R467 IonicContact OE2-CZ 2.79Å; E464-R467 IonicContact OE2-NE 3.53Å; E464-R467 PolarHBondContact OE2-NE 2.96Å; E464-R467 IonicContact OE2-NH2 3.63Å; E464-R467 PolarHBondContact OE2-NH2 2.93Å; Q465-R467 VanDerWaalsContact C-N 3.35Å; R467-R469 PolarHBondContact O-N 2.91Å; R467-G470 PolarHBondContact O-N 2.78Å; R467-A471 PolarHBondContact O-N 2.96Å
468	L	91.3	Very high	90.1	Very high	96 Å²	96	91 Å²	91	50%	0.503	48%	0.48	S	S	.	.	H	α-helix	trans	-63.4	-39.7	178.8	-69.2	174.3	0	0	0	112.3	E464 Q465 A471 A472	E464-L468 HydrophobicContact CG-CD1 4.29Å; E464-L468 WeakPolarHBondContact O-CG 3.33Å; E464-L468 PolarHBondContact O-N 3.34Å; Q465-L468 PolarHBondContact O-N 2.93Å; L468-A471 PolarHBondContact O-N 3.41Å; L468-A472 WeakPolarHBondContact O-CB 3.32Å; L468-A472 PolarHBondContact O-N 3.35Å
469	R	89.3	Confident	90	Very high	142 Å²	142	95.7 Å²	95.7	54%	0.536	49%	0.486	S	S	.	.	H	α-helix	trans	-64.7	-42.4	174.2	-77.6	-177.7	179.8	-179.5	2.2	112.4	Q465 K466 R467 A472 A473	Q465-R469 WeakPolarHBondContact O-CB 3.42Å; Q465-R469 WeakPolarHBondContact O-CG 3.3Å; Q465-R469 PolarHBondContact O-N 3.42Å; K466-R469 PolarHBondContact O-N 2.97Å; R467-R469 PolarHBondContact O-N 2.91Å; R469-A472 PolarHBondContact O-N 3.28Å; R469-A473 WeakPolarHBondContact O-CB 3.27Å; R469-A473 PolarHBondContact O-N 3.22Å
470	G	85.3	Confident	89.9	Confident	36 Å²	36	92.6 Å²	92.6	37%	0.371	47%	0.473	S	S	.	.	H	α-helix	trans	-58.7	-47.9	173.5	0	0	0	0	0	111.6	K466 R467 A472 A473 I474	K466-G470 PolarHBondContact O-N 3.37Å; R467-G470 PolarHBondContact O-N 2.78Å; G470-A472 PolarHBondContact O-N 2.67Å; G470-A473 PolarHBondContact O-N 3.03Å; G470-I474 WeakPolarHBondContact O-CG1 3.49Å; G470-I474 PolarHBondContact O-N 3.47Å; G470-I474 VanDerWaalsContact O-N 3.15Å
471	A	92.1	Very high	89.7	Confident	44 Å²	44	93.9 Å²	93.9	36%	0.364	47%	0.474	S	S	.	.	H	α-helix	trans	-60.3	-45.4	175.5	0	0	0	0	0	112.3	R467 L468 A473 I474 I475	R467-A471 PolarHBondContact O-N 2.96Å; L468-A471 PolarHBondContact O-N 3.41Å; A471-A473 VanDerWaalsContact C-N 3.32Å; A471-A473 PolarHBondContact O-N 3.18Å; A471-I474 PolarHBondContact O-N 2.95Å; A471-I475 VanDerWaalsContact O-CG1 3.31Å; A471-I475 WeakPolarHBondContact O-CG1 3.34Å; A471-I475 PolarHBondContact O-N 3.31Å
472	A	90.6	Very high	89.8	Confident	52 Å²	52	95.4 Å²	95.4	43%	0.43	48%	0.476	S	S	.	.	H	α-helix	trans	-62	-37.1	177.4	0	0	0	0	0	112.7	L468 R469 G470 I475 S476	L468-A472 WeakPolarHBondContact O-CB 3.32Å; L468-A472 PolarHBondContact O-N 3.35Å; R469-A472 PolarHBondContact O-N 3.28Å; G470-A472 PolarHBondContact O-N 2.67Å; A472-I475 PolarHBondContact O-N 3.06Å; A472-S476 VanDerWaalsContact O-CB 3.3Å; A472-S476 WeakPolarHBondContact O-CB 2.91Å; A472-S476 PolarHBondContact O-N 3.22Å; A472-S476 PolarHBondContact O-OG 3.32Å
473	A	88	Confident	89.9	Confident	32 Å²	32	94.8 Å²	94.8	26%	0.264	48%	0.477	S	S	.	.	H	α-helix	trans	-65	-40.9	175.7	0	0	0	0	0	112.2	R469 G470 A471 S476 T477	R469-A473 WeakPolarHBondContact O-CB 3.27Å; R469-A473 PolarHBondContact O-N 3.22Å; G470-A473 PolarHBondContact O-N 3.03Å; A471-A473 VanDerWaalsContact C-N 3.32Å; A471-A473 PolarHBondContact O-N 3.18Å; A473-S476 WeakPolarHBondContact CA-OG 3.26Å; A473-S476 PolarHBondContact O-OG 3.1Å; A473-T477 VanDerWaalsContact O-CB 3.31Å; A473-T477 WeakPolarHBondContact O-CB 3.32Å; A473-T477 PolarHBondContact O-N 3.46Å; A473-T477 PolarHBondContact O-OG1 2.88Å
474	I	89.1	Confident	90	Very high	124 Å²	124	99.1 Å²	99.1	64%	0.636	49%	0.485	S	S	*	.	H	α-helix	trans	-65.2	-47.3	176.1	-64.8	165.8	0	0	0	110.4	G470 A471 T477 S478	G470-I474 WeakPolarHBondContact O-CG1 3.49Å; G470-I474 PolarHBondContact O-N 3.47Å; G470-I474 VanDerWaalsContact O-N 3.15Å; A471-I474 PolarHBondContact O-N 2.95Å; I474-T477 PolarHBondContact O-N 2.7Å; I474-S478 WeakPolarHBondContact O-CB 3.32Å; I474-S478 PolarHBondContact O-N 3.33Å; I474-S478 PolarHBondContact O-OG 3.05Å
475	I	89.2	Confident	89.9	Confident	115 Å²	115	99.3 Å²	99.3	59%	0.59	49%	0.487	S	S	*	.	H	α-helix	trans	-62.1	-48	179.3	-66.4	167.3	0	0	0	110.5	A471 A472 T477 S478 W479	A471-I475 VanDerWaalsContact O-CG1 3.31Å; A471-I475 WeakPolarHBondContact O-CG1 3.34Å; A471-I475 PolarHBondContact O-N 3.31Å; A472-I475 PolarHBondContact O-N 3.06Å; I475-T477 PolarHBondContact O-N 3.2Å; I475-S478 PolarHBondContact O-N 3.47Å; I475-S478 PolarHBondContact O-OG 3.28Å; I475-W479 WeakPolarHBondContact O-CB 3.49Å; I475-W479 PolarHBondContact O-N 3.08Å
476	S	90.6	Very high	90	Very high	47 Å²	47	100.1 Å²	100.1	33%	0.329	49%	0.489	S	S	.	.	H	α-helix	trans	-64.4	-40.9	179.8	55.6	0	0	0	0	112.7	A472 A473 W479 I480	A472-S476 VanDerWaalsContact O-CB 3.3Å; A472-S476 WeakPolarHBondContact O-CB 2.91Å; A472-S476 PolarHBondContact O-N 3.22Å; A472-S476 PolarHBondContact O-OG 3.32Å; A473-S476 WeakPolarHBondContact CA-OG 3.26Å; A473-S476 PolarHBondContact O-OG 3.1Å; S476-W479 PolarHBondContact O-N 3.41Å; S476-I480 VanDerWaalsContact O-CG1 3.25Å; S476-I480 WeakPolarHBondContact O-CG1 3.34Å; S476-I480 PolarHBondContact O-N 3.24Å
477	T	89.1	Confident	90.2	Very high	88 Å²	88	100.7 Å²	100.7	54%	0.54	49%	0.492	S	S	.	.	H	α-helix	trans	-64.5	-44.3	178	-58.5	0	0	0	0	112	A473 I474 I475 I480 R481	A473-T477 VanDerWaalsContact O-CB 3.31Å; A473-T477 WeakPolarHBondContact O-CB 3.32Å; A473-T477 PolarHBondContact O-N 3.46Å; A473-T477 PolarHBondContact O-OG1 2.88Å; I474-T477 PolarHBondContact O-N 2.7Å; I475-T477 PolarHBondContact O-N 3.2Å; T477-I480 PolarHBondContact O-N 3.35Å; T477-R481 WeakPolarHBondContact O-CB 3.42Å; T477-R481 PolarHBondContact O-N 2.97Å
478	S	88.5	Confident	90.1	Very high	70 Å²	70	97.1 Å²	97.1	49%	0.49	48%	0.484	S	S	.	.	H	α-helix	trans	-63.9	-41.4	176.9	64	0	0	0	0	111.7	I474 I475 R481 Y482	I474-S478 WeakPolarHBondContact O-CB 3.32Å; I474-S478 PolarHBondContact O-N 3.33Å; I474-S478 PolarHBondContact O-OG 3.05Å; I475-S478 PolarHBondContact O-N 3.47Å; I475-S478 PolarHBondContact O-OG 3.28Å; S478-R481 PolarHBondContact O-N 2.85Å; S478-Y482 WeakPolarHBondContact O-CB 3.4Å; S478-Y482 PolarHBondContact O-N 2.75Å
479	W	90.2	Very high	90.2	Very high	150 Å²	150	100.8 Å²	100.8	57%	0.568	49%	0.491	S	S	*	.	H	α-helix	trans	-62.6	-44.6	175.3	-178.2	-115.1	0	0	0	112.9	I475 S476 R481 Y482 K483	I475-W479 WeakPolarHBondContact O-CB 3.49Å; I475-W479 PolarHBondContact O-N 3.08Å; S476-W479 PolarHBondContact O-N 3.41Å; W479-R481 VanDerWaalsContact C-N 3.33Å; W479-R481 PolarHBondContact O-N 3.15Å; W479-Y482 HydrophobicContact CE3-CD1 4.17Å; W479-Y482 AromaticContact CZ3-CD1 3.96Å; W479-Y482 HydrophobicContact CZ3-CD1 3.96Å; W479-Y482 HydrophobicContact CZ3-CE1 4.23Å; W479-Y482 WeakPolarHBondContact O-CB 3.49Å; W479-Y482 PolarHBondContact O-N 3.38Å; W479-K483 WeakPolarHBondContact O-CB 3.42Å; W479-K483 PolarHBondContact O-N 2.95Å
480	I	89.5	Confident	90.4	Very high	47 Å²	47	98.5 Å²	98.5	24%	0.241	49%	0.487	C	S	.	.	H	α-helix	trans	-63.1	-41.7	177.4	-69.8	168.4	0	0	0	110.7	L221 S476 T477 K483 K484	L221-I480 HydrophobicContact CB-CD1 4.4Å; L221-I480 HydrophobicContact CD2-CD1 3.62Å; S476-I480 VanDerWaalsContact O-CG1 3.25Å; S476-I480 WeakPolarHBondContact O-CG1 3.34Å; S476-I480 PolarHBondContact O-N 3.24Å; T477-I480 PolarHBondContact O-N 3.35Å; I480-K483 PolarHBondContact O-N 3.17Å; I480-K484 HydrophobicContact CG2-CD 4.16Å; I480-K484 HydrophobicContact CG2-CG 4.46Å; I480-K484 WeakPolarHBondContact O-CB 3.33Å; I480-K484 WeakPolarHBondContact O-CG 3.27Å; I480-K484 PolarHBondContact O-N 2.93Å
481	R	86.7	Confident	90.8	Very high	164 Å²	164	105.8 Å²	105.8	62%	0.619	50%	0.503	S	S	*	.	H	α-helix	trans	-61.4	-45.5	175.6	-174.3	178.6	-177.2	174.2	1.2	111	T477 S478 W479 K484 M485	T477-R481 WeakPolarHBondContact O-CB 3.42Å; T477-R481 PolarHBondContact O-N 2.97Å; S478-R481 PolarHBondContact O-N 2.85Å; W479-R481 VanDerWaalsContact C-N 3.33Å; W479-R481 PolarHBondContact O-N 3.15Å; R481-K484 PolarHBondContact O-N 3.41Å; R481-M485 VanDerWaalsContact O-CB 3.31Å; R481-M485 WeakPolarHBondContact O-CB 3.39Å; R481-M485 PolarHBondContact O-N 3.2Å
482	Y	92.8	Very high	90.8	Very high	132 Å²	132	107.4 Å²	107.4	52%	0.518	51%	0.505	S	S	.	.	H	α-helix	trans	-59.1	-50.4	175.6	175.1	-95.2	0	0	0	111.5	S478 W479 K484 M485 K486	S478-Y482 WeakPolarHBondContact O-CB 3.4Å; S478-Y482 PolarHBondContact O-N 2.75Å; W479-Y482 HydrophobicContact CE3-CD1 4.17Å; W479-Y482 AromaticContact CZ3-CD1 3.96Å; W479-Y482 HydrophobicContact CZ3-CD1 3.96Å; W479-Y482 HydrophobicContact CZ3-CE1 4.23Å; W479-Y482 WeakPolarHBondContact O-CB 3.49Å; W479-Y482 PolarHBondContact O-N 3.38Å; Y482-K484 PolarHBondContact O-N 2.86Å; Y482-M485 PolarHBondContact O-N 3.46Å; Y482-K486 HydrophobicContact CE1-CD 4.31Å; Y482-K486 WeakPolarHBondContact O-CB 3.45Å; Y482-K486 PolarHBondContact O-N 2.65Å
483	K	92.3	Very high	90.9	Very high	137 Å²	137	108.2 Å²	108.2	60%	0.596	51%	0.508	S	S	*	.	H	α-helix	trans	-60.6	-43.4	179.7	-170.8	174.8	-178.9	175.8	0	112.1	W479 I480 K487	W479-K483 WeakPolarHBondContact O-CB 3.42Å; W479-K483 PolarHBondContact O-N 2.95Å; I480-K483 PolarHBondContact O-N 3.17Å; K483-K487 WeakPolarHBondContact O-CB 3.4Å; K483-K487 PolarHBondContact O-N 3.46Å
484	K	91.5	Very high	91.3	Very high	149 Å²	149	111.8 Å²	111.8	65%	0.648	52%	0.522	S	S	*	.	H	α-helix	trans	-62.5	-43.9	175.1	-75.8	-178.5	178.3	-179.7	0	111.8	I480 R481 Y482 K487 L488	I480-K484 HydrophobicContact CG2-CD 4.16Å; I480-K484 HydrophobicContact CG2-CG 4.46Å; I480-K484 WeakPolarHBondContact O-CB 3.33Å; I480-K484 WeakPolarHBondContact O-CG 3.27Å; I480-K484 PolarHBondContact O-N 2.93Å; R481-K484 PolarHBondContact O-N 3.41Å; Y482-K484 PolarHBondContact O-N 2.86Å; K484-K487 PolarHBondContact O-N 3.41Å; K484-L488 WeakPolarHBondContact O-CB 3.3Å; K484-L488 PolarHBondContact O-N 2.92Å
485	M	91.1	Very high	91.5	Very high	81 Å²	81	108.2 Å²	108.2	40%	0.399	51%	0.506	S	S	.	.	H	α-helix	trans	-67.9	-40.8	180	-168.6	60.3	69.8	0	0	112.1	R481 Y482 L488 R489	R481-M485 VanDerWaalsContact O-CB 3.31Å; R481-M485 WeakPolarHBondContact O-CB 3.39Å; R481-M485 PolarHBondContact O-N 3.2Å; Y482-M485 PolarHBondContact O-N 3.46Å; M485-L488 PolarHBondContact O-N 3.37Å; M485-L488 HydrophobicContact SD-CD2 4.3Å; M485-R489 WeakPolarHBondContact O-CG 3.24Å; M485-R489 PolarHBondContact O-N 3.32Å
486	K	91.8	Very high	91.7	Very high	91 Å²	91	108.6 Å²	108.6	40%	0.396	50%	0.5	S	S	.	.	H	α-helix	trans	-57.7	-51.9	173.6	-177.2	176.9	176.2	-179.3	0	110.7	Y482 L488 R489 E490	Y482-K486 HydrophobicContact CE1-CD 4.31Å; Y482-K486 WeakPolarHBondContact O-CB 3.45Å; Y482-K486 PolarHBondContact O-N 2.65Å; K486-L488 VanDerWaalsContact C-N 3.31Å; K486-L488 PolarHBondContact O-N 2.99Å; K486-R489 PolarHBondContact O-N 3.22Å; K486-E490 WeakPolarHBondContact CE-OE1 3.48Å; K486-E490 WeakPolarHBondContact CG-OE1 3.39Å; K486-E490 WeakPolarHBondContact O-CG 3.5Å; K486-E490 PolarHBondContact O-N 2.88Å
487	K	92.9	Very high	91.8	Very high	155 Å²	155	112.5 Å²	112.5	67%	0.674	51%	0.511	S	S	*	.	H	α-helix	trans	-59.7	-37.9	177.5	-171.4	173.1	-176.7	173.3	0	112.9	K483 K484 R491	K483-K487 WeakPolarHBondContact O-CB 3.4Å; K483-K487 PolarHBondContact O-N 3.46Å; K484-K487 PolarHBondContact O-N 3.41Å; K487-R491 WeakPolarHBondContact O-CB 3.43Å; K487-R491 PolarHBondContact O-N 2.9Å
488	L	91	Very high	92.1	Very high	88 Å²	88	114.4 Å²	114.4	46%	0.461	51%	0.51	S	S	.	.	H	α-helix	trans	-66	-45.6	176.2	179.3	63.2	0	0	0	111.7	K484 M485 K486 E490 R491 L492	K484-L488 WeakPolarHBondContact O-CB 3.3Å; K484-L488 PolarHBondContact O-N 2.92Å; M485-L488 PolarHBondContact O-N 3.37Å; M485-L488 HydrophobicContact SD-CD2 4.3Å; K486-L488 VanDerWaalsContact C-N 3.31Å; K486-L488 PolarHBondContact O-N 2.99Å; L488-E490 VanDerWaalsContact C-N 3.35Å; L488-E490 PolarHBondContact O-N 3.38Å; L488-R491 PolarHBondContact O-N 3.07Å; L488-L492 HydrophobicContact CD1-CD1 4.34Å; L488-L492 HydrophobicContact CD1-CG 4.35Å; L488-L492 HydrophobicContact CG-CD1 4.11Å; L488-L492 WeakPolarHBondContact O-CG 3.33Å; L488-L492 PolarHBondContact O-N 3.07Å
489	R	92.9	Very high	92.5	Very high	173 Å²	173	111.2 Å²	111.2	65%	0.653	49%	0.487	S	S	*	.	H	α-helix	trans	-61.5	-43.2	177.5	-72.5	177.3	-174.4	175.4	0.4	111.6	M485 K486 L492 S493	M485-R489 WeakPolarHBondContact O-CG 3.24Å; M485-R489 PolarHBondContact O-N 3.32Å; K486-R489 PolarHBondContact O-N 3.22Å; R489-L492 PolarHBondContact O-N 3.09Å; R489-S493 WeakPolarHBondContact O-CB 3.11Å; R489-S493 PolarHBondContact O-N 3.22Å
490	E	93.7	Very high	92.6	Very high	94 Å²	94	105 Å²	105	44%	0.439	47%	0.466	S	S	.	.	H	α-helix	trans	-59.6	-47.6	174.2	-72.8	166.6	-175.8	0	0	111.2	K486 L488 L492 S493 N494	K486-E490 WeakPolarHBondContact CE-OE1 3.48Å; K486-E490 WeakPolarHBondContact CG-OE1 3.39Å; K486-E490 WeakPolarHBondContact O-CG 3.5Å; K486-E490 PolarHBondContact O-N 2.88Å; L488-E490 VanDerWaalsContact C-N 3.35Å; L488-E490 PolarHBondContact O-N 3.38Å; E490-L492 PolarHBondContact O-N 3.29Å; E490-S493 PolarHBondContact O-N 2.87Å; E490-N494 WeakPolarHBondContact O-CB 3.49Å; E490-N494 VanDerWaalsContact O-CG 3.22Å; E490-N494 PolarHBondContact O-N 2.98Å
491	R	94.1	Very high	92.9	Very high	189 Å²	189	107.4 Å²	107.4	71%	0.713	48%	0.476	S	S	*	.	H	α-helix	trans	-60.6	-42.5	177.2	-173.9	178	-179.5	173.1	2.3	112.6	K487 L488 T495	K487-R491 WeakPolarHBondContact O-CB 3.43Å; K487-R491 PolarHBondContact O-N 2.9Å; L488-R491 PolarHBondContact O-N 3.07Å; R491-T495 WeakPolarHBondContact O-CB 3.35Å; R491-T495 PolarHBondContact O-N 3.32Å; R491-T495 PolarHBondContact O-OG1 3.43Å
492	L	91.1	Very high	93.3	Very high	77 Å²	77	101.4 Å²	101.4	40%	0.403	46%	0.456	S	S	.	.	H	α-helix	trans	-65.3	-44.2	177.2	-73.1	171.4	0	0	0	111.4	L488 R489 E490 T495 R496	L488-L492 HydrophobicContact CD1-CD1 4.34Å; L488-L492 HydrophobicContact CD1-CG 4.35Å; L488-L492 HydrophobicContact CG-CD1 4.11Å; L488-L492 WeakPolarHBondContact O-CG 3.33Å; L488-L492 PolarHBondContact O-N 3.07Å; R489-L492 PolarHBondContact O-N 3.09Å; E490-L492 PolarHBondContact O-N 3.29Å; L492-T495 PolarHBondContact O-N 3.33Å; L492-R496 VanDerWaalsContact O-CG 3.31Å; L492-R496 WeakPolarHBondContact O-CG 3.38Å; L492-R496 PolarHBondContact O-N 2.87Å
493	S	92.8	Very high	93.4	Very high	70 Å²	70	95.4 Å²	95.4	49%	0.49	43%	0.433	S	S	.	.	H	α-helix	trans	-58.4	-48.9	175.6	-172	0	0	0	0	111.5	R489 E490 T495 R496 K497	R489-S493 WeakPolarHBondContact O-CB 3.11Å; R489-S493 PolarHBondContact O-N 3.22Å; E490-S493 PolarHBondContact O-N 2.87Å; S493-T495 VanDerWaalsContact C-N 3.31Å; S493-T495 PolarHBondContact O-N 3.35Å; S493-R496 PolarHBondContact O-N 3.2Å; S493-K497 WeakPolarHBondContact O-CB 3.41Å; S493-K497 PolarHBondContact O-N 3.35Å
494	N	95.4	Very high	93.4	Very high	107 Å²	107	93.2 Å²	93.2	57%	0.572	43%	0.425	S	S	*	.	H	α-helix	trans	-61.5	-39.7	177.7	-68.6	-11.2	0	0	0	111.9	E490 Y498	E490-N494 WeakPolarHBondContact O-CB 3.49Å; E490-N494 VanDerWaalsContact O-CG 3.22Å; E490-N494 PolarHBondContact O-N 2.98Å; N494-Y498 WeakPolarHBondContact O-CB 3.45Å; N494-Y498 PolarHBondContact O-N 3.19Å
495	T	94.2	Very high	93.6	Very high	48 Å²	48	92.7 Å²	92.7	29%	0.294	42%	0.423	S	S	.	.	H	α-helix	trans	-64	-45.3	176.9	-55.3	0	0	0	0	111.2	R491 L492 S493 Y498 C499 Y666	R491-T495 WeakPolarHBondContact O-CB 3.35Å; R491-T495 PolarHBondContact O-N 3.32Å; R491-T495 PolarHBondContact O-OG1 3.43Å; L492-T495 PolarHBondContact O-N 3.33Å; S493-T495 VanDerWaalsContact C-N 3.31Å; S493-T495 PolarHBondContact O-N 3.35Å; T495-Y498 PolarHBondContact O-N 3.11Å; T495-C499 PolarHBondContact O-N 3.01Å; T495-C499 PolarHBondContact O-SG 3.2Å; T495-Y666 HydrophobicContact CG2-CD2 4.17Å; T495-Y666 HydrophobicContact CG2-CE2 4.12Å
496	R	93	Very high	93.8	Very high	124 Å²	124	91.5 Å²	91.5	47%	0.468	42%	0.415	S	S	.	.	H	α-helix	trans	-62	-48.5	178	-70.1	166.6	176.2	-178.8	-0.9	111.2	L492 S493 Y498 C499 T500 D662	L492-R496 VanDerWaalsContact O-CG 3.31Å; L492-R496 WeakPolarHBondContact O-CG 3.38Å; L492-R496 PolarHBondContact O-N 2.87Å; S493-R496 PolarHBondContact O-N 3.2Å; R496-Y498 PolarHBondContact O-N 3.33Å; R496-C499 PolarHBondContact O-N 3.21Å; R496-T500 WeakPolarHBondContact O-CB 3.41Å; R496-T500 PolarHBondContact O-N 3.24Å; R496-T500 PolarHBondContact O-OG1 3.32Å; R496-D662 WeakPolarHBondContact CD-OD2 3.43Å; R496-D662 HydrophobicContact CG-CB 3.98Å; R496-D662 IonicContact CZ-OD2 3.57Å; R496-D662 IonicContact NE-OD2 2.96Å; R496-D662 PolarHBondContact NE-OD2 3.04Å; R496-D662 IonicContact NH1-OD2 3.25Å
497	K	93.6	Very high	94	Very high	128 Å²	128	87.9 Å²	87.9	56%	0.557	40%	0.4	S	S	*	.	H	α-helix	trans	-55.8	-50.4	176	-178.1	174.8	174.5	178.7	0	111.1	S493 C499 T500 E501	S493-K497 WeakPolarHBondContact O-CB 3.41Å; S493-K497 PolarHBondContact O-N 3.35Å; K497-C499 PolarHBondContact O-N 3.21Å; K497-T500 PolarHBondContact O-N 2.95Å; K497-E501 WeakPolarHBondContact CE-OE1 3.5Å; K497-E501 HydrophobicContact CG-CG 4.42Å; K497-E501 WeakPolarHBondContact CG-OE1 3.37Å; K497-E501 IonicContact NZ-OE1 2.72Å; K497-E501 WeakPolarHBondContact O-CB 3.43Å; K497-E501 WeakPolarHBondContact O-CG 3.45Å; K497-E501 PolarHBondContact O-N 2.87Å
498	Y	96.1	Very high	94	Very high	129 Å²	129	87.5 Å²	87.5	51%	0.506	40%	0.399	S	S	.	.	H	α-helix	trans	-57.8	-49.1	177.9	173.2	-100.7	0	0	0	113.1	N494 T495 R496 T500 E501 I502	N494-Y498 WeakPolarHBondContact O-CB 3.45Å; N494-Y498 PolarHBondContact O-N 3.19Å; T495-Y498 PolarHBondContact O-N 3.11Å; R496-Y498 PolarHBondContact O-N 3.33Å; Y498-T500 VanDerWaalsContact C-N 3.32Å; Y498-T500 PolarHBondContact O-N 3.02Å; Y498-E501 PolarHBondContact O-N 2.85Å; Y498-I502 HydrophobicContact CD1-CD1 4.11Å; Y498-I502 HydrophobicContact CD2-CD1 3.99Å; Y498-I502 HydrophobicContact CD2-CG1 4.48Å; Y498-I502 HydrophobicContact CE1-CD1 3.48Å; Y498-I502 VanDerWaalsContact CE1-CD1 3.48Å; Y498-I502 HydrophobicContact CE2-CD1 3.36Å; Y498-I502 HydrophobicContact CE2-CG1 4.2Å; Y498-I502 HydrophobicContact CG-CD1 4.34Å; Y498-I502 WeakPolarHBondContact O-CB 3.39Å; Y498-I502 WeakPolarHBondContact O-CG1 3.17Å; Y498-I502 PolarHBondContact O-N 3.36Å; Y498-I502 WeakPolarHBondContact OH-CD1 3.29Å
499	C	96	Very high	94.2	Very high	3 Å²	3	87.8 Å²	87.8	2%	0.02	40%	0.398	C	S	.	.	H	α-helix	trans	-62.5	-40.5	179.2	-68.2	0	0	0	0	112	T495 R496 K497 S503 F665 N669	T495-C499 PolarHBondContact O-N 3.01Å; T495-C499 PolarHBondContact O-SG 3.2Å; R496-C499 PolarHBondContact O-N 3.21Å; K497-C499 PolarHBondContact O-N 3.21Å; C499-S503 WeakPolarHBondContact O-CB 3.31Å; C499-S503 PolarHBondContact O-N 2.85Å; C499-F665 HydrophobicContact CB-CB 4.24Å; C499-N669 HydrophobicContact CB-CB 4.22Å
500	T	92.7	Very high	94.2	Very high	19 Å²	19	80.9 Å²	80.9	12%	0.117	37%	0.374	C	S	.	.	H	α-helix	trans	-65.4	-47.8	177.6	-62.3	0	0	0	0	111.7	R496 K497 Y498 I502 S503 Q504 I679	R496-T500 WeakPolarHBondContact O-CB 3.41Å; R496-T500 PolarHBondContact O-N 3.24Å; R496-T500 PolarHBondContact O-OG1 3.32Å; K497-T500 PolarHBondContact O-N 2.95Å; Y498-T500 VanDerWaalsContact C-N 3.32Å; Y498-T500 PolarHBondContact O-N 3.02Å; T500-I502 PolarHBondContact O-N 3.13Å; T500-S503 PolarHBondContact O-N 3.49Å; T500-Q504 WeakPolarHBondContact O-CG 3.37Å; T500-Q504 PolarHBondContact O-N 3.21Å; T500-I679 HydrophobicContact CG2-CB 4Å; T500-I679 HydrophobicContact CG2-CG2 3.32Å
501	E	94.5	Very high	94.1	Very high	97 Å²	97	76.6 Å²	76.6	45%	0.453	35%	0.354	S	S	.	.	H	α-helix	trans	-60.7	-44.7	178.6	-74.7	172.8	174	0	0	112	K497 Y498 Q504 K505	K497-E501 WeakPolarHBondContact CE-OE1 3.5Å; K497-E501 HydrophobicContact CG-CG 4.42Å; K497-E501 WeakPolarHBondContact CG-OE1 3.37Å; K497-E501 IonicContact NZ-OE1 2.72Å; K497-E501 WeakPolarHBondContact O-CB 3.43Å; K497-E501 WeakPolarHBondContact O-CG 3.45Å; K497-E501 PolarHBondContact O-N 2.87Å; Y498-E501 PolarHBondContact O-N 2.85Å; E501-Q504 PolarHBondContact O-N 3.16Å; E501-K505 WeakPolarHBondContact O-CB 3.47Å; E501-K505 PolarHBondContact O-N 2.77Å
502	I	95.4	Very high	94	Very high	39 Å²	39	73.5 Å²	73.5	20%	0.2	35%	0.352	C	S	.	.	H	α-helix	trans	-62.3	-45.7	175.8	-74.8	-175.9	0	0	0	111.2	Y498 T500 Q504 K505 K506	Y498-I502 HydrophobicContact CD1-CD1 4.11Å; Y498-I502 HydrophobicContact CD2-CD1 3.99Å; Y498-I502 HydrophobicContact CD2-CG1 4.48Å; Y498-I502 HydrophobicContact CE1-CD1 3.48Å; Y498-I502 VanDerWaalsContact CE1-CD1 3.48Å; Y498-I502 HydrophobicContact CE2-CD1 3.36Å; Y498-I502 HydrophobicContact CE2-CG1 4.2Å; Y498-I502 HydrophobicContact CG-CD1 4.34Å; Y498-I502 WeakPolarHBondContact O-CB 3.39Å; Y498-I502 WeakPolarHBondContact O-CG1 3.17Å; Y498-I502 PolarHBondContact O-N 3.36Å; Y498-I502 WeakPolarHBondContact OH-CD1 3.29Å; T500-I502 PolarHBondContact O-N 3.13Å; I502-Q504 VanDerWaalsContact C-N 3.33Å; I502-Q504 PolarHBondContact O-N 2.92Å; I502-K505 PolarHBondContact O-N 3.47Å; I502-K506 HydrophobicContact CG2-CD 4.08Å; I502-K506 HydrophobicContact CG2-CG 4.43Å; I502-K506 WeakPolarHBondContact O-CG 3.48Å; I502-K506 PolarHBondContact O-N 3.26Å
503	S	94.5	Very high	94.1	Very high	6 Å²	6	74.4 Å²	74.4	4%	0.042	36%	0.357	C	S	.	.	H	α-helix	trans	-61.4	-43.8	179	-176	0	0	0	0	111.2	C499 T500 K506 L507 V675	C499-S503 WeakPolarHBondContact O-CB 3.31Å; C499-S503 PolarHBondContact O-N 2.85Å; T500-S503 PolarHBondContact O-N 3.49Å; S503-K506 PolarHBondContact O-N 3.07Å; S503-L507 VanDerWaalsContact O-CB 3.27Å; S503-L507 WeakPolarHBondContact O-CB 3.36Å; S503-L507 PolarHBondContact O-N 3.43Å; S503-V675 PolarHBondContact OG-N 2.88Å
504	Q	94	Very high	94.2	Very high	91 Å²	91	71.7 Å²	71.7	43%	0.425	34%	0.336	S	S	.	.	H	α-helix	trans	-62	-43	176.5	-74.5	179.6	-48.9	0	0	111.9	T500 E501 I502 L507 K508 I679	T500-Q504 WeakPolarHBondContact O-CG 3.37Å; T500-Q504 PolarHBondContact O-N 3.21Å; E501-Q504 PolarHBondContact O-N 3.16Å; I502-Q504 VanDerWaalsContact C-N 3.33Å; I502-Q504 PolarHBondContact O-N 2.92Å; Q504-L507 PolarHBondContact O-N 3.33Å; Q504-K508 WeakPolarHBondContact O-CB 3.46Å; Q504-K508 PolarHBondContact O-N 2.68Å; Q504-I679 HydrophobicContact CG-CG2 3.88Å; Q504-I679 VanDerWaalsContact NE2-CG2 3.26Å
505	K	95	Very high	94	Very high	137 Å²	137	72.8 Å²	72.8	60%	0.596	34%	0.338	S	S	*	.	H	α-helix	trans	-59.5	-51.3	176	-177.3	179	174.7	-178.4	0	111.2	E501 I502 L507 K508 E509	E501-K505 WeakPolarHBondContact O-CB 3.47Å; E501-K505 PolarHBondContact O-N 2.77Å; I502-K505 PolarHBondContact O-N 3.47Å; K505-L507 VanDerWaalsContact C-N 3.32Å; K505-L507 PolarHBondContact O-N 3.46Å; K505-K508 PolarHBondContact O-N 3.36Å; K505-E509 WeakPolarHBondContact CE-OE1 3.49Å; K505-E509 WeakPolarHBondContact O-CG 3.44Å; K505-E509 PolarHBondContact O-N 2.91Å
506	K	95.5	Very high	94	Very high	56 Å²	56	78.9 Å²	78.9	24%	0.243	36%	0.355	C	S	.	.	H	α-helix	trans	-60.5	-40.1	177.5	-71.5	-177.8	175.5	-172.2	0	112.3	I502 S503 E509 L510 E672 P674	I502-K506 HydrophobicContact CG2-CD 4.08Å; I502-K506 HydrophobicContact CG2-CG 4.43Å; I502-K506 WeakPolarHBondContact O-CG 3.48Å; I502-K506 PolarHBondContact O-N 3.26Å; S503-K506 PolarHBondContact O-N 3.07Å; K506-E509 PolarHBondContact O-N 3.38Å; K506-L510 WeakPolarHBondContact O-CB 3.11Å; K506-L510 PolarHBondContact O-N 3.45Å; K506-E672 PolarHBondContact NZ-O 2.8Å; K506-P674 HydrophobicContact CB-CB 3.88Å; K506-P674 HydrophobicContact CB-CG 4.47Å
507	L	95.5	Very high	94	Very high	15 Å²	15	73.9 Å²	73.9	8%	0.079	34%	0.337	C	S	.	.	H	α-helix	trans	-67.1	-38.8	179.1	-172	66.6	0	0	0	111.6	S503 Q504 K505 L510 G511 P674 V675 P909 V962	S503-L507 VanDerWaalsContact O-CB 3.27Å; S503-L507 WeakPolarHBondContact O-CB 3.36Å; S503-L507 PolarHBondContact O-N 3.43Å; Q504-L507 PolarHBondContact O-N 3.33Å; K505-L507 VanDerWaalsContact C-N 3.32Å; K505-L507 PolarHBondContact O-N 3.46Å; L507-L510 PolarHBondContact O-N 3.35Å; L507-G511 PolarHBondContact O-N 3.02Å; L507-P674 HydrophobicContact CB-CB 4.16Å; L507-P674 HydrophobicContact CD1-CB 4.21Å; L507-V675 WeakPolarHBondContact CD1-O 3.44Å; L507-V675 WeakPolarHBondContact CD2-O 3.39Å; L507-P909 HydrophobicContact CD1-CB 4.13Å; L507-P909 HydrophobicContact CD1-CG 3.59Å; L507-P909 HydrophobicContact CG-CB 4Å; L507-P909 HydrophobicContact CG-CG 4Å; L507-P909 WeakPolarHBondContact O-CB 3.48Å; L507-V962 HydrophobicContact CD2-CG1 3.77Å; L507-V962 HydrophobicContact CD2-CG2 4.23Å
508	K	93.7	Very high	93.9	Very high	148 Å²	148	71.4 Å²	71.4	64%	0.643	33%	0.328	S	S	*	.	H	α-helix	trans	-64.8	-44.6	174.4	-174	-179.5	179.4	-177.8	0	111.7	Q504 K505 L510 G511 N512	Q504-K508 WeakPolarHBondContact O-CB 3.46Å; Q504-K508 PolarHBondContact O-N 2.68Å; K505-K508 PolarHBondContact O-N 3.36Å; K508-L510 VanDerWaalsContact C-N 3.31Å; K508-L510 PolarHBondContact O-N 3.3Å; K508-G511 PolarHBondContact O-N 2.85Å; K508-N512 PolarHBondContact O-N 2.84Å; K508-N512 VanDerWaalsContact O-N 3.13Å
509	E	93.6	Very high	93.7	Very high	94 Å²	94	71.8 Å²	71.8	44%	0.439	33%	0.334	S	S	.	.	H	α-helix	trans	-60.1	-41.7	175	-72.3	168.7	-174.3	0	0	111.8	K505 K506 N513	K505-E509 WeakPolarHBondContact CE-OE1 3.49Å; K505-E509 WeakPolarHBondContact O-CG 3.44Å; K505-E509 PolarHBondContact O-N 2.91Å; K506-E509 PolarHBondContact O-N 3.38Å; E509-N513 PolarHBondContact O-ND2 2.88Å
510	L	93	Very high	93.7	Very high	28 Å²	28	75.3 Å²	75.3	15%	0.147	35%	0.353	C	S	.	.	H	α-helix	trans	-64.2	-41.9	173.6	-174.3	67.9	0	0	0	111.6	K506 L507 K508 N512 N513 W514 F517 I653 P674	K506-L510 WeakPolarHBondContact O-CB 3.11Å; K506-L510 PolarHBondContact O-N 3.45Å; L507-L510 PolarHBondContact O-N 3.35Å; K508-L510 VanDerWaalsContact C-N 3.31Å; K508-L510 PolarHBondContact O-N 3.3Å; L510-N512 VanDerWaalsContact C-N 3.31Å; L510-N512 PolarHBondContact O-N 3.25Å; L510-N513 CarbonylContact O-C 3.42Å; L510-N513 WeakPolarHBondContact O-CA 3.39Å; L510-N513 PolarHBondContact O-N 3.32Å; L510-W514 HydrophobicContact CD2-CE3 4.18Å; L510-W514 HydrophobicContact CD2-CZ3 3.86Å; L510-W514 HydrophobicContact CG-CE3 4.14Å; L510-W514 HydrophobicContact CG-CZ3 4.33Å; L510-W514 WeakPolarHBondContact O-CA 3.38Å; L510-W514 PolarHBondContact O-N 2.83Å; L510-F517 HydrophobicContact CD1-CB 3.84Å; L510-F517 HydrophobicContact CD1-CD1 4.44Å; L510-F517 HydrophobicContact CD1-CD2 3.65Å; L510-F517 HydrophobicContact CD1-CE2 4.28Å; L510-F517 HydrophobicContact CD1-CG 3.72Å; L510-I653 HydrophobicContact CD2-CD1 3.52Å; L510-I653 HydrophobicContact CD2-CG1 4.25Å; L510-P674 HydrophobicContact CD2-CG 3.91Å
511	G	92.1	Very high	93.8	Very high	3 Å²	3	79.8 Å²	79.8	3%	0.031	38%	0.376	C	S	.	.	H	α-helix	trans	-57.7	-40.9	178.3	0	0	0	0	0	113.8	L507 K508 N513 W514	L507-G511 PolarHBondContact O-N 3.02Å; K508-G511 PolarHBondContact O-N 2.85Å; G511-N513 PolarHBondContact O-N 3.34Å; G511-W514 PolarHBondContact O-N 3.37Å
512	N	93	Very high	94	Very high	124 Å²	124	75.7 Å²	75.7	66%	0.663	36%	0.357	S	S	*	.	H	α-helix	trans	-61.6	-24.5	175.6	-64.9	-16.9	0	0	0	112.8	K508 L510	K508-N512 PolarHBondContact O-N 2.84Å; K508-N512 VanDerWaalsContact O-N 3.13Å; L510-N512 VanDerWaalsContact C-N 3.31Å; L510-N512 PolarHBondContact O-N 3.25Å
513	N	92.8	Very high	94.1	Very high	96 Å²	96	73.9 Å²	73.9	51%	0.513	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.4	25.6	-177.4	-62.8	-55.1	0	0	0	112.4	E509 L510 G511 E515 R516 F517	E509-N513 PolarHBondContact O-ND2 2.88Å; L510-N513 CarbonylContact O-C 3.42Å; L510-N513 WeakPolarHBondContact O-CA 3.39Å; L510-N513 PolarHBondContact O-N 3.32Å; G511-N513 PolarHBondContact O-N 3.34Å; N513-E515 PolarHBondContact O-N 3.08Å; N513-R516 PolarHBondContact O-N 3.02Å; N513-F517 PolarHBondContact O-N 2.92Å
514	W	93.9	Very high	94.3	Very high	13 Å²	13	74.3 Å²	74.3	5%	0.049	35%	0.349	C	S	.	.	H	α-helix	trans	-60.5	-45.3	-169.5	-176.3	-89.7	0	0	0	113	L510 G511 R516 F517 E518 I653 W676 L908 P909	L510-W514 HydrophobicContact CD2-CE3 4.18Å; L510-W514 HydrophobicContact CD2-CZ3 3.86Å; L510-W514 HydrophobicContact CG-CE3 4.14Å; L510-W514 HydrophobicContact CG-CZ3 4.33Å; L510-W514 WeakPolarHBondContact O-CA 3.38Å; L510-W514 PolarHBondContact O-N 2.83Å; G511-W514 PolarHBondContact O-N 3.37Å; W514-R516 VanDerWaalsContact C-N 3.29Å; W514-R516 PolarHBondContact O-N 3.46Å; W514-F517 WeakPolarHBondContact O-CB 3.35Å; W514-F517 PolarHBondContact O-N 2.89Å; W514-E518 PolarHBondContact NE1-OE2 3.33Å; W514-E518 PolarHBondContact O-N 2.94Å; W514-I653 HydrophobicContact CH2-CD1 4.08Å; W514-I653 HydrophobicContact CZ3-CD1 3.88Å; W514-W676 AromaticContact CH2-CD2 3.83Å; W514-W676 HydrophobicContact CH2-CD2 3.83Å; W514-W676 AromaticContact CH2-CE2 3.83Å; W514-W676 AromaticContact CH2-CE3 3.86Å; W514-W676 HydrophobicContact CH2-CE3 3.86Å; W514-W676 AromaticContact CH2-CH2 3.98Å; W514-W676 HydrophobicContact CH2-CH2 3.98Å; W514-W676 AromaticContact CH2-CZ2 3.95Å; W514-W676 HydrophobicContact CH2-CZ2 3.95Å; W514-W676 AromaticContact CH2-CZ3 3.92Å; W514-W676 HydrophobicContact CH2-CZ3 3.92Å; W514-W676 AromaticContact CZ2-CH2 3.86Å; W514-W676 HydrophobicContact CZ2-CH2 3.86Å; W514-W676 HydrophobicContact CZ2-CZ2 4.02Å; W514-W676 HydrophobicContact CZ2-CZ3 4.12Å; W514-L908 HydrophobicContact CG-CD1 4.46Å; W514-L908 HydrophobicContact CZ2-CD2 3.85Å; W514-P909 VanDerWaalsContact CE3-CD 3.46Å; W514-P909 HydrophobicContact CE3-CG 3.69Å; W514-P909 HydrophobicContact CH2-CG 4.46Å; W514-P909 HydrophobicContact CZ3-CG 3.59Å
515	E	92	Very high	94.5	Very high	130 Å²	130	70 Å²	70	61%	0.607	33%	0.329	S	S	*	.	H	α-helix	trans	-59.7	-42	179	-64.9	178	-179.3	0	0	111.6	N513 F517 E518 Q519	N513-E515 PolarHBondContact O-N 3.08Å; E515-F517 VanDerWaalsContact C-N 3.32Å; E515-F517 PolarHBondContact O-N 3.28Å; E515-E518 PolarHBondContact O-N 3.46Å; E515-Q519 WeakPolarHBondContact O-CB 3.41Å; E515-Q519 VanDerWaalsContact O-CG 3.25Å; E515-Q519 WeakPolarHBondContact O-CG 3.3Å; E515-Q519 PolarHBondContact O-N 2.76Å
516	R	93.5	Very high	94.7	Very high	176 Å²	176	63.5 Å²	63.5	66%	0.664	30%	0.301	S	S	*	.	H	α-helix	trans	-64.8	-37.3	175.3	-176.6	178.3	178.1	-179.9	2	111.6	N513 W514 N520	N513-R516 PolarHBondContact O-N 3.02Å; W514-R516 VanDerWaalsContact C-N 3.29Å; W514-R516 PolarHBondContact O-N 3.46Å; R516-N520 VanDerWaalsContact CG-ND2 3.28Å; R516-N520 WeakPolarHBondContact CG-ND2 3.49Å; R516-N520 WeakPolarHBondContact O-CB 3.31Å; R516-N520 PolarHBondContact O-N 2.9Å; R516-N520 PolarHBondContact O-ND2 3.05Å
517	F	94.1	Very high	94.8	Very high	19 Å²	19	60.8 Å²	60.8	8%	0.083	29%	0.289	C	S	.	.	H	α-helix	trans	-64.8	-46.3	175.4	171.7	-97.1	0	0	0	111.4	L510 N513 W514 E515 Q519 N520 H522 P651 I653	L510-F517 HydrophobicContact CD1-CB 3.84Å; L510-F517 HydrophobicContact CD1-CD1 4.44Å; L510-F517 HydrophobicContact CD1-CD2 3.65Å; L510-F517 HydrophobicContact CD1-CE2 4.28Å; L510-F517 HydrophobicContact CD1-CG 3.72Å; N513-F517 PolarHBondContact O-N 2.92Å; W514-F517 WeakPolarHBondContact O-CB 3.35Å; W514-F517 PolarHBondContact O-N 2.89Å; E515-F517 VanDerWaalsContact C-N 3.32Å; E515-F517 PolarHBondContact O-N 3.28Å; F517-Q519 VanDerWaalsContact C-N 3.35Å; F517-Q519 PolarHBondContact O-N 3.18Å; F517-N520 PolarHBondContact O-N 3.39Å; F517-N520 VanDerWaalsContact O-O 3.11Å; F517-H522 HydrophobicContact CD2-CB 4.01Å; F517-H522 HydrophobicContact CE1-CB 4.39Å; F517-H522 AromaticContact CE1-CD2 3.72Å; F517-H522 AromaticContact CE1-CG 3.95Å; F517-H522 HydrophobicContact CE2-CB 3.44Å; F517-H522 VanDerWaalsContact CE2-CB 3.44Å; F517-H522 AromaticContact CE2-CG 3.92Å; F517-H522 HydrophobicContact CZ-CB 3.66Å; F517-H522 AromaticContact CZ-CD2 3.53Å; F517-H522 AromaticContact CZ-CG 3.64Å; F517-H522 PolarHBondContact O-ND1 3.19Å; F517-H522 VanDerWaalsContact O-ND1 3.08Å; F517-P651 HydrophobicContact CD2-CB 3.86Å; F517-P651 HydrophobicContact CE2-CB 3.85Å; F517-I653 HydrophobicContact CE1-CG2 4.24Å; F517-I653 HydrophobicContact CZ-CB 4.06Å; F517-I653 HydrophobicContact CZ-CG2 3.79Å
518	E	90.7	Very high	94.8	Very high	77 Å²	77	60.3 Å²	60.3	36%	0.36	29%	0.287	S	S	.	.	H	α-helix	trans	-65.9	-35.3	-178.1	-168.5	168.3	-161.5	0	0	112.5	W514 E515 R914	W514-E518 PolarHBondContact NE1-OE2 3.33Å; W514-E518 PolarHBondContact O-N 2.94Å; E515-E518 PolarHBondContact O-N 3.46Å; E518-R914 IonicContact OE1-NH1 2.94Å; E518-R914 PolarHBondContact OE1-NH1 3.43Å; E518-R914 IonicContact OE2-CZ 3.31Å; E518-R914 IonicContact OE2-NH1 3.69Å; E518-R914 PolarHBondContact OE2-NH1 3.46Å; E518-R914 IonicContact OE2-NH2 3.63Å; E518-R914 PolarHBondContact OE2-NH2 2.71Å
519	Q	92.5	Very high	94.8	Very high	136 Å²	136	53.4 Å²	53.4	64%	0.636	26%	0.257	S	S	*	.	H	α-helix	trans	-77.6	-25.4	178.2	-71.9	172.2	0.8	0	0	114.4	E515 F517 N564	E515-Q519 WeakPolarHBondContact O-CB 3.41Å; E515-Q519 VanDerWaalsContact O-CG 3.25Å; E515-Q519 WeakPolarHBondContact O-CG 3.3Å; E515-Q519 PolarHBondContact O-N 2.76Å; F517-Q519 VanDerWaalsContact C-N 3.35Å; F517-Q519 PolarHBondContact O-N 3.18Å; Q519-N564 PolarHBondContact O-ND2 3.38Å
520	N	95.1	Very high	94.6	Very high	78 Å²	78	49.2 Å²	49.2	42%	0.417	24%	0.239	S	C	.	.	S	Bend	trans	-97	162.3	-177.7	-73.7	-54.1	0	0	0	111.6	R516 F517 H522	R516-N520 VanDerWaalsContact CG-ND2 3.28Å; R516-N520 WeakPolarHBondContact CG-ND2 3.49Å; R516-N520 WeakPolarHBondContact O-CB 3.31Å; R516-N520 PolarHBondContact O-N 2.9Å; R516-N520 PolarHBondContact O-ND2 3.05Å; F517-N520 PolarHBondContact O-N 3.39Å; F517-N520 VanDerWaalsContact O-O 3.11Å; N520-H522 PolarHBondContact O-N 3.31Å; N520-H522 PolarHBondContact O-ND1 2.63Å
521	N	96.3	Very high	94.2	Very high	112 Å²	112	48 Å²	48	60%	0.599	23%	0.232	S	C	*	.			trans	-60.1	123.1	173.6	-68.9	-12	0	0	0	111.1	N564	N521-N564 CarbonylContact C-O 3.05Å; N521-N564 VanDerWaalsContact CA-O 3.26Å; N521-N564 WeakPolarHBondContact CA-O 3.34Å; N521-N564 WeakPolarHBondContact OD1-CA 3.23Å; N521-N564 PolarHBondContact OD1-OD1 2.99Å
522	H	97.4	Very high	94	Very high	12 Å²	12	49.5 Å²	49.5	6%	0.056	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	165.2	-178.9	60.7	-87.5	0	0	0	111.7	F517 N520 N564 T565 D566 P651	F517-H522 HydrophobicContact CD2-CB 4.01Å; F517-H522 HydrophobicContact CE1-CB 4.39Å; F517-H522 AromaticContact CE1-CD2 3.72Å; F517-H522 AromaticContact CE1-CG 3.95Å; F517-H522 HydrophobicContact CE2-CB 3.44Å; F517-H522 VanDerWaalsContact CE2-CB 3.44Å; F517-H522 AromaticContact CE2-CG 3.92Å; F517-H522 HydrophobicContact CZ-CB 3.66Å; F517-H522 AromaticContact CZ-CD2 3.53Å; F517-H522 AromaticContact CZ-CG 3.64Å; F517-H522 PolarHBondContact O-ND1 3.19Å; F517-H522 VanDerWaalsContact O-ND1 3.08Å; N520-H522 PolarHBondContact O-N 3.31Å; N520-H522 PolarHBondContact O-ND1 2.63Å; H522-N564 PolarHBondContact N-O 3.44Å; H522-N564 PolarHBondContact ND1-O 2.93Å; H522-T565 PolarHBondContact CE1-OG1 3.29Å; H522-T565 VanDerWaalsContact CE1-OG1 3.29Å; H522-T565 PolarHBondContact NE2-OG1 3Å; H522-D566 PolarHBondContact O-N 3.17Å; H522-P651 CarbonylContact C-O 3.49Å; H522-P651 VanDerWaalsContact CA-O 3.29Å; H522-P651 WeakPolarHBondContact CA-O 3.31Å; H522-P651 HydrophobicContact CB-CB 4.24Å
523	V	98.3	Very high	93.7	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	130.8	178	-170.5	0	0	0	0	111	D566 V568 F646 I647 R650 P651 A652 I653	V523-D566 CarbonylContact C-O 3.55Å; V523-D566 WeakPolarHBondContact CA-O 3.39Å; V523-D566 HydrophobicContact CG1-CB 4.43Å; V523-D566 HydrophobicContact CG2-CB 4.15Å; V523-V568 HydrophobicContact CG1-CG2 3.99Å; V523-F646 HydrophobicContact CG1-CD1 4.03Å; V523-F646 HydrophobicContact CG1-CE1 3.8Å; V523-F646 HydrophobicContact CG2-CE1 4.42Å; V523-I647 HydrophobicContact CB-CG2 4.07Å; V523-I647 HydrophobicContact CG1-CG2 3.87Å; V523-I647 HydrophobicContact CG2-CG2 4.32Å; V523-R650 HydrophobicContact CG2-CB 4.2Å; V523-P651 PolarHBondContact N-O 2.94Å; V523-A652 HydrophobicContact CB-CB 3.97Å; V523-A652 CarbonylContact O-C 3.57Å; V523-A652 WeakPolarHBondContact O-CA 3.35Å; V523-I653 PolarHBondContact O-N 2.94Å
524	I	98.2	Very high	93.4	Very high	16 Å²	16	45.5 Å²	45.5	8%	0.082	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	121.7	170.2	-61.7	179.9	0	0	0	109.1	H526 E559 T565 D566 V567 V568 I653 I655	I524-H526 WeakPolarHBondContact CG2-NE2 3.44Å; I524-E559 WeakPolarHBondContact CD1-OE2 3.37Å; I524-T565 HydrophobicContact CB-CG2 4.42Å; I524-T565 HydrophobicContact CD1-CG2 3.61Å; I524-T565 HydrophobicContact CG1-CG2 3.86Å; I524-D566 PolarHBondContact N-O 3.46Å; I524-V567 WeakPolarHBondContact O-CA 3.36Å; I524-V568 PolarHBondContact O-N 3.41Å; I524-I653 HydrophobicContact CG1-CG2 4.11Å; I524-I655 HydrophobicContact CD1-CD1 4.4Å; I524-I655 HydrophobicContact CG2-CB 4.46Å; I524-I655 HydrophobicContact CG2-CD1 3.47Å; I524-I655 VanDerWaalsContact CG2-CD1 3.47Å; I524-I655 HydrophobicContact CG2-CG1 3.89Å
525	V	98.6	Very high	93.1	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	98.5	172.8	-175.2	0	0	0	0	108.5	V568 I643 I647 I653 L654 I655 I673	V525-V568 CarbonylContact C-O 3.44Å; V525-V568 WeakPolarHBondContact CA-O 3.49Å; V525-V568 HydrophobicContact CB-CB 4.48Å; V525-V568 HydrophobicContact CG1-CB 4.31Å; V525-V568 HydrophobicContact CG1-CG1 4.31Å; V525-V568 HydrophobicContact CG2-CB 4.21Å; V525-V568 HydrophobicContact CG2-CG2 4.46Å; V525-I643 HydrophobicContact CG1-CG2 4.4Å; V525-I643 HydrophobicContact CG2-CG2 4.2Å; V525-I647 HydrophobicContact CG2-CG2 4.25Å; V525-I653 PolarHBondContact N-O 3.26Å; V525-L654 HydrophobicContact CG1-CD1 4.48Å; V525-L654 WeakPolarHBondContact O-CA 3.37Å; V525-I655 PolarHBondContact O-N 3.39Å; V525-I673 HydrophobicContact CB-CD1 4.38Å; V525-I673 HydrophobicContact CG2-CD1 3.98Å
526	H	98.2	Very high	92.8	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	119.8	173.6	-78.5	-63.7	0	0	0	110.5	I524 P528 R556 E559 V568 L569 V570 Y991	I524-H526 WeakPolarHBondContact CG2-NE2 3.44Å; H526-P528 WeakPolarHBondContact O-CD 3.31Å; H526-R556 HydrophobicContact CB-CB 4.42Å; H526-R556 PolarHBondContact ND1-NH1 2.9Å; H526-E559 IonicContact CE1-OE1 3.57Å; H526-E559 PolarHBondContact CE1-OE1 3.38Å; H526-E559 VanDerWaalsContact CE1-OE1 3.28Å; H526-E559 IonicContact CE1-OE2 2.66Å; H526-E559 PolarHBondContact CE1-OE2 3Å; H526-E559 IonicContact NE2-OE1 3.2Å; H526-E559 PolarHBondContact NE2-OE1 3.49Å; H526-E559 IonicContact NE2-OE2 2.7Å; H526-E559 PolarHBondContact NE2-OE2 2.93Å; H526-V568 PolarHBondContact N-O 3.27Å; H526-L569 HydrophobicContact CB-CD1 3.77Å; H526-V570 PolarHBondContact O-N 3.32Å; H526-Y991 AromaticContact CE1-CE2 3.82Å
527	L	97.4	Very high	92.7	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	80.8	175.7	-177.8	61.6	0	0	0	109	S529 V570 L629 A630 L633 L654 I655 P656 G657	L527-S529 PolarHBondContact O-N 3.49Å; L527-V570 HydrophobicContact CD1-CB 3.79Å; L527-V570 HydrophobicContact CD1-CG1 3.81Å; L527-V570 HydrophobicContact CD1-CG2 4.17Å; L527-L629 HydrophobicContact CD1-CD2 4.03Å; L527-L629 HydrophobicContact CD1-CG 3.9Å; L527-A630 HydrophobicContact CD2-CB 3.97Å; L527-L633 HydrophobicContact CD1-CD2 4.05Å; L527-L654 HydrophobicContact CB-CD2 4.25Å; L527-L654 HydrophobicContact CB-CG 4.48Å; L527-L654 HydrophobicContact CD2-CD1 4.27Å; L527-L654 HydrophobicContact CD2-CD2 4.26Å; L527-I655 PolarHBondContact N-O 2.68Å; L527-P656 CarbonylContact O-C 3.53Å; L527-P656 VanDerWaalsContact O-CA 3.23Å; L527-P656 WeakPolarHBondContact O-CA 3.39Å; L527-G657 PolarHBondContact O-N 3.34Å
528	P	95.4	Very high	92.4	Very high	5 Å²	5	36.8 Å²	36.8	3%	0.032	19%	0.189	C	C	.	.			trans	-71.7	55	-179.1	33.3	-37.8	0	0	0	111.9	H526 E550 Q553 L569 V570 L629	H526-P528 WeakPolarHBondContact O-CD 3.31Å; P528-E550 WeakPolarHBondContact O-CB 3.2Å; P528-E550 WeakPolarHBondContact O-CG 3.3Å; P528-Q553 HydrophobicContact CB-CB 4.12Å; P528-L569 HydrophobicContact CG-CD1 4.14Å; P528-V570 VanDerWaalsContact CD-O 3.23Å; P528-V570 WeakPolarHBondContact CD-O 3.06Å; P528-V570 WeakPolarHBondContact CG-O 3.49Å; P528-L629 HydrophobicContact CG-CD2 4.28Å
529	S	94	Very high	92.1	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.014	18%	0.184	C	C	.	.			trans	-79	127.2	-178.6	177	0	0	0	0	111	L527 S531 L629 A630 F658	L527-S529 PolarHBondContact O-N 3.49Å; S529-S531 WeakPolarHBondContact CB-OG 3.43Å; S529-S531 PolarHBondContact O-N 2.89Å; S529-S531 PolarHBondContact O-OG 2.57Å; S529-S531 PolarHBondContact OG-OG 2.86Å; S529-L629 PolarHBondContact OG-N 2.89Å; S529-A630 PolarHBondContact OG-N 3.13Å; S529-F658 PolarHBondContact O-N 3.48Å
530	A	89.7	Confident	91.8	Very high	7 Å²	7	29.3 Å²	29.3	6%	0.058	15%	0.154	C	C	.	.			trans	-73.8	72.8	166.6	0	0	0	0	0	109.8	Y532 R537 L546 E550	A530-Y532 HydrophobicContact CB-CD2 3.96Å; A530-Y532 HydrophobicContact CB-CE2 3.93Å; A530-Y532 PolarHBondContact O-N 2.85Å; A530-R537 WeakPolarHBondContact O-CD 3.38Å; A530-L546 HydrophobicContact CB-CD1 3.62Å; A530-E550 HydrophobicContact CB-CG 3.88Å; A530-E550 WeakPolarHBondContact CB-OE1 3.34Å; A530-E550 PolarHBondContact N-OE1 3.22Å
531	S	85.7	Confident	91.4	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.007	14%	0.14	C	C	.	.			trans	-78.6	27.2	-169.3	-56.2	0	0	0	0	114.7	S529 F658 I664	S529-S531 WeakPolarHBondContact CB-OG 3.43Å; S529-S531 PolarHBondContact O-N 2.89Å; S529-S531 PolarHBondContact O-OG 2.57Å; S529-S531 PolarHBondContact OG-OG 2.86Å; S531-F658 WeakPolarHBondContact CB-O 3.44Å; S531-F658 PolarHBondContact OG-O 3.14Å; S531-I664 WeakPolarHBondContact OG-CD1 3.34Å
532	Y	87.1	Confident	90.7	Very high	36 Å²	36	25.2 Å²	25.2	14%	0.141	14%	0.142	C	C	.	.			trans	-67	173	178.5	-53.8	-68.5	0	0	0	112.2	A530 I536 R537 L540 M549 F658 I808	A530-Y532 HydrophobicContact CB-CD2 3.96Å; A530-Y532 HydrophobicContact CB-CE2 3.93Å; A530-Y532 PolarHBondContact O-N 2.85Å; Y532-I536 HydrophobicContact CD2-CG2 4.25Å; Y532-I536 HydrophobicContact CG-CG2 3.91Å; Y532-R537 PolarHBondContact O-NH1 2.95Å; Y532-L540 HydrophobicContact CD2-CD1 3.95Å; Y532-L540 HydrophobicContact CE2-CD1 4.21Å; Y532-M549 HydrophobicContact CE2-CE 4.19Å; Y532-F658 AromaticContact CD1-CD1 3.68Å; Y532-F658 HydrophobicContact CD1-CD1 3.68Å; Y532-F658 AromaticContact CD1-CE1 3.51Å; Y532-F658 HydrophobicContact CD1-CE1 3.51Å; Y532-F658 HydrophobicContact CD1-CZ 4.35Å; Y532-F658 AromaticContact CE1-CD1 3.56Å; Y532-F658 HydrophobicContact CE1-CD1 3.56Å; Y532-F658 AromaticContact CE1-CE1 3.55Å; Y532-F658 HydrophobicContact CE1-CE1 3.55Å; Y532-F658 HydrophobicContact CE1-CG 4.07Å; Y532-F658 HydrophobicContact CE1-CZ 4.07Å; Y532-F658 HydrophobicContact CG-CD1 4.48Å; Y532-I808 HydrophobicContact CD1-CD1 3.7Å; Y532-I808 HydrophobicContact CD1-CG1 4.28Å; Y532-I808 HydrophobicContact CD2-CD1 3.66Å; Y532-I808 HydrophobicContact CE1-CD1 3.51Å; Y532-I808 HydrophobicContact CE1-CG1 3.72Å; Y532-I808 HydrophobicContact CE2-CD1 3.48Å; Y532-I808 VanDerWaalsContact CE2-CD1 3.48Å; Y532-I808 HydrophobicContact CE2-CG1 4.3Å; Y532-I808 HydrophobicContact CG-CD1 3.77Å
533	S	86.2	Confident	89.9	Confident	36 Å²	36	26.9 Å²	26.9	25%	0.252	15%	0.15	S	C	.	.			trans	-58.7	158	171.4	64.5	0	0	0	0	111.8	S535 I536 R537	S533-S535 VanDerWaalsContact C-N 3.27Å; S533-S535 PolarHBondContact O-N 3.4Å; S533-S535 PolarHBondContact OG-OG 3.48Å; S533-I536 PolarHBondContact O-N 3.15Å; S533-I536 WeakPolarHBondContact OG-CD1 3.42Å; S533-I536 WeakPolarHBondContact OG-CG1 3.46Å; S533-I536 PolarHBondContact OG-N 2.61Å; S533-R537 WeakPolarHBondContact O-CG 3.4Å; S533-R537 PolarHBondContact O-N 2.89Å
534	E	88	Confident	89	Confident	99 Å²	99	31.6 Å²	31.6	46%	0.463	17%	0.173	S	C	.	.	H	α-helix	trans	-55.6	-42.5	177.6	-175.8	176.8	174.2	0	0	112.3	I536 R537 Q538 S625	E534-I536 PolarHBondContact O-N 3.44Å; E534-R537 PolarHBondContact O-N 3.29Å; E534-Q538 HydrophobicContact CG-CG 4.49Å; E534-Q538 VanDerWaalsContact O-CG 3.3Å; E534-Q538 WeakPolarHBondContact O-CG 3.49Å; E534-Q538 PolarHBondContact O-N 2.88Å; E534-S625 WeakPolarHBondContact OE1-CB 3.08Å
535	S	86.1	Confident	88.4	Confident	57 Å²	57	31.9 Å²	31.9	40%	0.399	17%	0.173	S	C	.	.	H	α-helix	trans	-59	-45.2	178.3	57.2	0	0	0	0	112.8	S533 Q538 Q539	S533-S535 VanDerWaalsContact C-N 3.27Å; S533-S535 PolarHBondContact O-N 3.4Å; S533-S535 PolarHBondContact OG-OG 3.48Å; S535-Q538 WeakPolarHBondContact O-CB 3.42Å; S535-Q538 PolarHBondContact O-N 2.89Å; S535-Q539 WeakPolarHBondContact O-CG 3.35Å; S535-Q539 PolarHBondContact O-N 2.92Å; S535-Q539 VanDerWaalsContact O-N 3.07Å
536	I	86.5	Confident	87.9	Confident	3 Å²	3	32 Å²	32	2%	0.015	17%	0.174	C	C	.	.	H	α-helix	trans	-66.4	-41.4	178.1	-68.1	172.4	0	0	0	110.2	Y532 S533 E534 Q538 Q539 L540 N806 I808	Y532-I536 HydrophobicContact CD2-CG2 4.25Å; Y532-I536 HydrophobicContact CG-CG2 3.91Å; S533-I536 PolarHBondContact O-N 3.15Å; S533-I536 WeakPolarHBondContact OG-CD1 3.42Å; S533-I536 WeakPolarHBondContact OG-CG1 3.46Å; S533-I536 PolarHBondContact OG-N 2.61Å; E534-I536 PolarHBondContact O-N 3.44Å; I536-Q538 VanDerWaalsContact C-N 3.31Å; I536-Q538 PolarHBondContact O-N 3.39Å; I536-Q539 PolarHBondContact O-N 2.9Å; I536-L540 HydrophobicContact CG2-CD1 4Å; I536-L540 HydrophobicContact CG2-CG 4.35Å; I536-L540 WeakPolarHBondContact O-CG 3.34Å; I536-L540 PolarHBondContact O-N 2.95Å; I536-N806 HydrophobicContact CD1-CB 3.81Å; I536-N806 HydrophobicContact CG1-CB 4.1Å; I536-N806 WeakPolarHBondContact CG2-OD1 3.43Å; I536-I808 HydrophobicContact CG2-CD1 3.41Å; I536-I808 VanDerWaalsContact CG2-CD1 3.41Å
537	R	90.6	Very high	87.3	Confident	17 Å²	17	33.6 Å²	33.6	6%	0.064	18%	0.182	C	C	.	.	H	α-helix	trans	-65.2	-35.3	177.5	-63.2	-170.7	-50.3	-106.3	0	112.1	A530 Y532 S533 E534 L540 G541 L546 P626	A530-R537 WeakPolarHBondContact O-CD 3.38Å; Y532-R537 PolarHBondContact O-NH1 2.95Å; S533-R537 WeakPolarHBondContact O-CG 3.4Å; S533-R537 PolarHBondContact O-N 2.89Å; E534-R537 PolarHBondContact O-N 3.29Å; R537-L540 PolarHBondContact O-N 3.43Å; R537-G541 PolarHBondContact O-N 2.9Å; R537-L546 HydrophobicContact CB-CD1 4.41Å; R537-L546 HydrophobicContact CB-CD2 4.32Å; R537-L546 HydrophobicContact CG-CD1 4.27Å; R537-P626 HydrophobicContact CB-CG 3.94Å; R537-P626 PolarHBondContact NE-O 2.96Å; R537-P626 PolarHBondContact NH2-O 3.22Å; R537-P626 WeakPolarHBondContact O-CG 3.25Å
538	Q	88	Confident	86.8	Confident	79 Å²	79	34 Å²	34	37%	0.369	18%	0.183	S	C	.	.	H	α-helix	trans	-61.3	-47.8	172.7	-73.8	173.1	-25	0	0	111.2	E534 S535 I536 G541 S542 P624	E534-Q538 HydrophobicContact CG-CG 4.49Å; E534-Q538 VanDerWaalsContact O-CG 3.3Å; E534-Q538 WeakPolarHBondContact O-CG 3.49Å; E534-Q538 PolarHBondContact O-N 2.88Å; S535-Q538 WeakPolarHBondContact O-CB 3.42Å; S535-Q538 PolarHBondContact O-N 2.89Å; I536-Q538 VanDerWaalsContact C-N 3.31Å; I536-Q538 PolarHBondContact O-N 3.39Å; Q538-G541 PolarHBondContact O-N 3.46Å; Q538-S542 PolarHBondContact O-N 3.4Å; Q538-S542 PolarHBondContact O-OG 3.5Å; Q538-P624 VanDerWaalsContact CG-O 3.23Å; Q538-P624 WeakPolarHBondContact CG-O 3.4Å; Q538-P624 PolarHBondContact NE2-O 2.95Å
539	Q	85.1	Confident	86.4	Confident	56 Å²	56	34.6 Å²	34.6	26%	0.262	19%	0.186	S	C	.	.	H	α-helix	trans	-62.6	-42.9	177.4	-69.7	178.4	-35.6	0	0	112.2	S535 I536 G541 S542 I543 N806 F871	S535-Q539 WeakPolarHBondContact O-CG 3.35Å; S535-Q539 PolarHBondContact O-N 2.92Å; S535-Q539 VanDerWaalsContact O-N 3.07Å; I536-Q539 PolarHBondContact O-N 2.9Å; Q539-G541 VanDerWaalsContact C-N 3.31Å; Q539-G541 PolarHBondContact O-N 3.01Å; Q539-S542 WeakPolarHBondContact CA-OG 3.47Å; Q539-S542 PolarHBondContact O-N 3.14Å; Q539-S542 PolarHBondContact O-OG 2.85Å; Q539-I543 WeakPolarHBondContact O-CG1 3.45Å; Q539-I543 PolarHBondContact O-N 3.26Å; Q539-N806 PolarHBondContact OE1-ND2 2.97Å; Q539-F871 HydrophobicContact CB-CD1 3.67Å; Q539-F871 HydrophobicContact CB-CE1 3.49Å; Q539-F871 VanDerWaalsContact CB-CE1 3.49Å; Q539-F871 HydrophobicContact CB-CG 4.3Å; Q539-F871 HydrophobicContact CB-CZ 3.97Å; Q539-F871 HydrophobicContact CG-CD1 4.43Å
540	L	87	Confident	86.2	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-64.4	-35.8	174.2	-72.5	171.5	0	0	0	112.3	Y532 I536 R537 I543 E544 E545 L546 M549 I808 F871	Y532-L540 HydrophobicContact CD2-CD1 3.95Å; Y532-L540 HydrophobicContact CE2-CD1 4.21Å; I536-L540 HydrophobicContact CG2-CD1 4Å; I536-L540 HydrophobicContact CG2-CG 4.35Å; I536-L540 WeakPolarHBondContact O-CG 3.34Å; I536-L540 PolarHBondContact O-N 2.95Å; R537-L540 PolarHBondContact O-N 3.43Å; L540-I543 WeakPolarHBondContact O-CG1 3.25Å; L540-E544 PolarHBondContact O-N 3.48Å; L540-E545 HydrophobicContact CD2-CB 4.1Å; L540-E545 PolarHBondContact O-N 3.41Å; L540-L546 HydrophobicContact CB-CB 3.87Å; L540-L546 HydrophobicContact CB-CD1 4.19Å; L540-L546 HydrophobicContact CD1-CD1 3.99Å; L540-L546 PolarHBondContact O-N 2.92Å; L540-M549 HydrophobicContact CD1-SD 3.95Å; L540-M549 HydrophobicContact CD2-SD 3.69Å; L540-M549 HydrophobicContact CG-SD 4.47Å; L540-I808 HydrophobicContact CD1-CD1 4Å; L540-F871 HydrophobicContact CD2-CE1 4.31Å; L540-F871 HydrophobicContact CD2-CZ 3.7Å; L540-F871 HydrophobicContact CG-CZ 3.97Å
541	G	85.2	Confident	86.2	Confident	12 Å²	12	35.4 Å²	35.4	12%	0.124	19%	0.19	C	C	.	.	H	α-helix	trans	-66.6	-42.4	175.4	0	0	0	0	0	112.2	R537 Q538 Q539 I543 E544	R537-G541 PolarHBondContact O-N 2.9Å; Q538-G541 PolarHBondContact O-N 3.46Å; Q539-G541 VanDerWaalsContact C-N 3.31Å; Q539-G541 PolarHBondContact O-N 3.01Å; G541-I543 PolarHBondContact O-N 3.34Å; G541-E544 PolarHBondContact O-N 3.45Å
542	S	82	Confident	86.4	Confident	91 Å²	91	35.7 Å²	35.7	64%	0.636	19%	0.191	S	C	*	.	H	α-helix	trans	-65	-22.2	179.5	55.7	0	0	0	0	114	Q538 Q539	Q538-S542 PolarHBondContact O-N 3.4Å; Q538-S542 PolarHBondContact O-OG 3.5Å; Q539-S542 WeakPolarHBondContact CA-OG 3.47Å; Q539-S542 PolarHBondContact O-N 3.14Å; Q539-S542 PolarHBondContact O-OG 2.85Å
543	I	81.1	Confident	86.7	Confident	47 Å²	47	35 Å²	35	24%	0.241	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.3	11.1	175.1	67.6	172.2	0	0	0	112.8	Q539 L540 G541 E545 R811 F871	Q539-I543 WeakPolarHBondContact O-CG1 3.45Å; Q539-I543 PolarHBondContact O-N 3.26Å; L540-I543 WeakPolarHBondContact O-CG1 3.25Å; G541-I543 PolarHBondContact O-N 3.34Å; I543-E545 HydrophobicContact CD1-CB 4.05Å; I543-E545 HydrophobicContact CD1-CG 3.68Å; I543-E545 HydrophobicContact CG1-CB 3.91Å; I543-E545 HydrophobicContact CG1-CG 3.73Å; I543-E545 PolarHBondContact O-N 2.93Å; I543-E545 VanDerWaalsContact O-N 3.13Å; I543-R811 VanDerWaalsContact CD1-CZ 3.44Å; I543-F871 HydrophobicContact CD1-CD1 4.27Å; I543-F871 HydrophobicContact CD1-CE1 3.62Å; I543-F871 HydrophobicContact CD1-CZ 4.42Å; I543-F871 HydrophobicContact CG1-CE1 4.37Å
544	E	79.8	Confident	87	Confident	100 Å²	100	33.7 Å²	33.7	47%	0.467	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.2	19.5	177.5	-54.2	-179.9	168.6	0	0	115.6	L540 G541 R1095	L540-E544 PolarHBondContact O-N 3.48Å; G541-E544 PolarHBondContact O-N 3.45Å; E544-R1095 WeakPolarHBondContact OE2-CD 3.39Å; E544-R1095 IonicContact OE2-CZ 2.62Å; E544-R1095 IonicContact OE2-NE 2.79Å; E544-R1095 IonicContact OE2-NH1 3.71Å; E544-R1095 PolarHBondContact OE2-NH1 3.19Å
545	E	84.8	Confident	87.3	Confident	21 Å²	21	29 Å²	29	10%	0.098	16%	0.158	C	C	.	.	H	α-helix	trans	-89.6	-20.7	-177.1	-74.6	-81.3	150.4	0	0	112.8	L540 I543 E547 Y548 M549 R811 R1098	L540-E545 HydrophobicContact CD2-CB 4.1Å; L540-E545 PolarHBondContact O-N 3.41Å; I543-E545 HydrophobicContact CD1-CB 4.05Å; I543-E545 HydrophobicContact CD1-CG 3.68Å; I543-E545 HydrophobicContact CG1-CB 3.91Å; I543-E545 HydrophobicContact CG1-CG 3.73Å; I543-E545 PolarHBondContact O-N 2.93Å; I543-E545 VanDerWaalsContact O-N 3.13Å; E545-E547 PolarHBondContact O-N 2.93Å; E545-Y548 PolarHBondContact O-N 3.21Å; E545-Y548 WeakPolarHBondContact OE2-CD1 3.4Å; E545-M549 WeakPolarHBondContact O-CB 3.45Å; E545-M549 VanDerWaalsContact O-CG 3.28Å; E545-M549 WeakPolarHBondContact O-CG 3.44Å; E545-M549 PolarHBondContact O-N 3.16Å; E545-R811 IonicContact OE1-NH2 3.28Å; E545-R811 IonicContact OE2-NH2 3.33Å; E545-R1098 IonicContact OE1-NH2 3.32Å
546	L	87.3	Confident	87.8	Confident	2 Å²	2	26.3 Å²	26.3	1%	0.01	14%	0.139	C	C	.	.	H	α-helix	trans	-59.4	-43	-172.2	-176.3	62.3	0	0	0	113.6	A530 R537 L540 R572 P626	A530-L546 HydrophobicContact CB-CD1 3.62Å; R537-L546 HydrophobicContact CB-CD1 4.41Å; R537-L546 HydrophobicContact CB-CD2 4.32Å; R537-L546 HydrophobicContact CG-CD1 4.27Å; L540-L546 HydrophobicContact CB-CB 3.87Å; L540-L546 HydrophobicContact CB-CD1 4.19Å; L540-L546 HydrophobicContact CD1-CD1 3.99Å; L540-L546 PolarHBondContact O-N 2.92Å; L546-R572 PolarHBondContact O-NH1 2.85Å; L546-P626 HydrophobicContact CD2-CB 3.69Å; L546-P626 HydrophobicContact CD2-CG 3.91Å
547	E	86.5	Confident	88.2	Confident	34 Å²	34	26.2 Å²	26.2	16%	0.159	14%	0.138	C	C	.	.	H	α-helix	trans	-75.9	-40.2	179.6	-176.6	175.7	153	0	0	112.3	E545 E550 S551 S621	E545-E547 PolarHBondContact O-N 2.93Å; E547-E550 PolarHBondContact O-N 2.99Å; E547-S551 WeakPolarHBondContact O-CB 3.43Å; E547-S551 PolarHBondContact O-N 3.03Å; E547-S551 VanDerWaalsContact O-N 3.15Å; E547-S551 PolarHBondContact O-OG 2.95Å; E547-S621 PolarHBondContact OE2-OG 3.22Å
548	Y	86.2	Confident	88.4	Confident	10 Å²	10	25.4 Å²	25.4	4%	0.039	14%	0.135	C	C	.	.	H	α-helix	trans	-60.8	-48.1	176.7	171.6	-125.1	0	0	0	111.2	E545 E550 S551 R552 T1052 R1053 M1091 R1098	E545-Y548 PolarHBondContact O-N 3.21Å; E545-Y548 WeakPolarHBondContact OE2-CD1 3.4Å; Y548-E550 VanDerWaalsContact C-N 3.31Å; Y548-E550 PolarHBondContact O-N 3.16Å; Y548-S551 PolarHBondContact O-N 3.33Å; Y548-R552 HydrophobicContact CD2-CG 3.99Å; Y548-R552 HydrophobicContact CE1-CG 4.3Å; Y548-R552 HydrophobicContact CE2-CG 3.63Å; Y548-R552 HydrophobicContact CG-CG 4.45Å; Y548-R552 WeakPolarHBondContact O-CG 3.22Å; Y548-R552 PolarHBondContact O-N 2.92Å; Y548-T1052 PolarHBondContact OH-O 2.85Å; Y548-R1053 WeakPolarHBondContact OH-CA 3.47Å; Y548-M1091 HydrophobicContact CD2-SD 4.04Å; Y548-M1091 HydrophobicContact CE2-SD 3.61Å; Y548-R1098 HydrophobicContact CD2-CB 4.2Å; Y548-R1098 HydrophobicContact CD2-CG 4.03Å; Y548-R1098 HydrophobicContact CE1-CG 4.35Å; Y548-R1098 HydrophobicContact CE2-CB 3.5Å; Y548-R1098 HydrophobicContact CE2-CG 3.58Å
549	M	87.3	Confident	88.8	Confident	16 Å²	16	22.6 Å²	22.6	8%	0.079	12%	0.122	C	C	.	.	H	α-helix	trans	-53.5	-43.2	178.3	-78.8	-171.7	74.6	0	0	113.5	Y532 L540 E545 I808	Y532-M549 HydrophobicContact CE2-CE 4.19Å; L540-M549 HydrophobicContact CD1-SD 3.95Å; L540-M549 HydrophobicContact CD2-SD 3.69Å; L540-M549 HydrophobicContact CG-SD 4.47Å; E545-M549 WeakPolarHBondContact O-CB 3.45Å; E545-M549 VanDerWaalsContact O-CG 3.28Å; E545-M549 WeakPolarHBondContact O-CG 3.44Å; E545-M549 PolarHBondContact O-N 3.16Å; M549-I808 HydrophobicContact CE-CG2 3.46Å; M549-I808 VanDerWaalsContact CE-CG2 3.46Å; M549-I808 HydrophobicContact SD-CG2 3.95Å
550	E	90.7	Very high	89.2	Confident	8 Å²	8	19.9 Å²	19.9	4%	0.037	11%	0.11	C	C	.	.	H	α-helix	trans	-70.4	-34.7	178.2	-62.4	-171.7	167.5	0	0	111.7	P528 A530 E547 Y548 R572	P528-E550 WeakPolarHBondContact O-CB 3.2Å; P528-E550 WeakPolarHBondContact O-CG 3.3Å; A530-E550 HydrophobicContact CB-CG 3.88Å; A530-E550 WeakPolarHBondContact CB-OE1 3.34Å; A530-E550 PolarHBondContact N-OE1 3.22Å; E547-E550 PolarHBondContact O-N 2.99Å; Y548-E550 VanDerWaalsContact C-N 3.31Å; Y548-E550 PolarHBondContact O-N 3.16Å; E550-R572 IonicContact OE1-CZ 3.38Å; E550-R572 VanDerWaalsContact OE1-CZ 3.31Å; E550-R572 IonicContact OE1-NH1 2.69Å; E550-R572 PolarHBondContact OE1-NH1 3.47Å; E550-R572 IonicContact OE1-NH2 2.81Å; E550-R572 PolarHBondContact OE1-NH2 3.16Å; E550-R572 WeakPolarHBondContact OE2-CB 3.45Å; E550-R572 IonicContact OE2-CZ 3.45Å; E550-R572 IonicContact OE2-NE 3.59Å; E550-R572 PolarHBondContact OE2-NE 3.2Å; E550-R572 IonicContact OE2-NH1 3.55Å; E550-R572 PolarHBondContact OE2-NH1 2.89Å; E550-R572 IonicContact OE2-NH2 3.22Å; E550-R572 PolarHBondContact OE2-NH2 3.43Å
551	S	89.9	Confident	89.4	Confident	19 Å²	19	22 Å²	22	13%	0.133	12%	0.117	C	C	.	.	H	α-helix	trans	-76.4	-25.9	-177.6	-54.8	0	0	0	0	113.3	E547 Y548 Q553 I554	E547-S551 WeakPolarHBondContact O-CB 3.43Å; E547-S551 PolarHBondContact O-N 3.03Å; E547-S551 VanDerWaalsContact O-N 3.15Å; E547-S551 PolarHBondContact O-OG 2.95Å; Y548-S551 PolarHBondContact O-N 3.33Å; S551-Q553 PolarHBondContact O-N 3Å; S551-I554 WeakPolarHBondContact O-CB 3.39Å; S551-I554 WeakPolarHBondContact O-CG2 3.4Å; S551-I554 PolarHBondContact O-N 3.32Å; S551-I554 VanDerWaalsContact O-N 3.15Å
552	R	89.4	Confident	89.7	Confident	6 Å²	6	23.7 Å²	23.7	2%	0.023	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-22.1	173.7	-69.4	-169.8	-50.6	-153.4	7.1	113.5	Y548 D809 D993 M1091	Y548-R552 HydrophobicContact CD2-CG 3.99Å; Y548-R552 HydrophobicContact CE1-CG 4.3Å; Y548-R552 HydrophobicContact CE2-CG 3.63Å; Y548-R552 HydrophobicContact CG-CG 4.45Å; Y548-R552 WeakPolarHBondContact O-CG 3.22Å; Y548-R552 PolarHBondContact O-N 2.92Å; R552-D809 IonicContact CZ-OD2 3.24Å; R552-D809 IonicContact NH1-OD2 2.7Å; R552-D809 PolarHBondContact NH1-OD2 3.3Å; R552-D809 IonicContact NH2-OD1 2.77Å; R552-D809 IonicContact NH2-OD2 3.23Å; R552-D809 PolarHBondContact NH2-OD2 2.86Å; R552-D993 IonicContact CZ-OD2 2.75Å; R552-D993 VanDerWaalsContact CZ-OD2 3.25Å; R552-D993 IonicContact NE-OD2 2.93Å; R552-D993 PolarHBondContact NE-OD2 2.93Å; R552-D993 IonicContact NH2-OD2 3.95Å; R552-D993 PolarHBondContact NH2-OD2 3.34Å; R552-M1091 WeakPolarHBondContact CA-SD 3.34Å; R552-M1091 HydrophobicContact CB-CE 4.2Å; R552-M1091 HydrophobicContact CB-SD 4.08Å; R552-M1091 HydrophobicContact CG-CE 3.93Å; R552-M1091 HydrophobicContact CG-SD 3.61Å
553	Q	91.9	Very high	90.1	Very high	21 Å²	21	23.7 Å²	23.7	10%	0.098	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	13.7	-175.4	-56.4	-170.5	-6.9	0	0	113.9	P528 S551 A555 R556 Y991 D993 A996	P528-Q553 HydrophobicContact CB-CB 4.12Å; S551-Q553 PolarHBondContact O-N 3Å; Q553-A555 PolarHBondContact O-N 2.99Å; Q553-A555 VanDerWaalsContact O-N 3.12Å; Q553-R556 HydrophobicContact CB-CG 4.45Å; Q553-R556 VanDerWaalsContact O-CB 3.32Å; Q553-R556 WeakPolarHBondContact O-CB 3.4Å; Q553-R556 VanDerWaalsContact O-CD 3.31Å; Q553-R556 WeakPolarHBondContact O-CD 3.2Å; Q553-R556 WeakPolarHBondContact O-CG 3.24Å; Q553-R556 PolarHBondContact O-N 2.99Å; Q553-R556 VanDerWaalsContact O-N 3.09Å; Q553-R556 VanDerWaalsContact OE1-CZ 3.25Å; Q553-R556 VanDerWaalsContact OE1-NE 3.14Å; Q553-Y991 PolarHBondContact NE2-O 3.34Å; Q553-Y991 PolarHBondContact OE1-O 2.94Å; Q553-D993 VanDerWaalsContact CG-OD1 3.29Å; Q553-D993 WeakPolarHBondContact CG-OD1 3.22Å; Q553-D993 PolarHBondContact NE2-OD1 3.18Å; Q553-D993 VanDerWaalsContact NE2-OD1 3.07Å; Q553-A996 HydrophobicContact CB-CB 4.42Å
554	I	92.7	Very high	90.8	Very high	10 Å²	10	23.9 Å²	23.9	5%	0.051	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-55.6	-29	176.8	-171.1	158.9	0	0	0	113	S551 R556 I557 L569 I575 Y583 S1089 M1091	S551-I554 WeakPolarHBondContact O-CB 3.39Å; S551-I554 WeakPolarHBondContact O-CG2 3.4Å; S551-I554 PolarHBondContact O-N 3.32Å; S551-I554 VanDerWaalsContact O-N 3.15Å; I554-R556 PolarHBondContact O-N 3.15Å; I554-I557 WeakPolarHBondContact O-CB 3.36Å; I554-I557 WeakPolarHBondContact O-CG2 3.3Å; I554-I557 PolarHBondContact O-N 3.03Å; I554-L569 HydrophobicContact CB-CD2 4.5Å; I554-L569 HydrophobicContact CG1-CD2 3.89Å; I554-I575 HydrophobicContact CD1-CD1 3.79Å; I554-Y583 HydrophobicContact CD1-CD2 4.05Å; I554-Y583 HydrophobicContact CD1-CE1 4.42Å; I554-Y583 HydrophobicContact CD1-CE2 3.36Å; I554-Y583 HydrophobicContact CG1-CE1 4.23Å; I554-Y583 HydrophobicContact CG1-CE2 4.06Å; I554-Y583 WeakPolarHBondContact CG2-OH 3.36Å; I554-S1089 VanDerWaalsContact CG2-OG 3.31Å; I554-S1089 WeakPolarHBondContact CG2-OG 3.39Å; I554-M1091 HydrophobicContact CG2-CG 4.42Å
555	A	94.9	Very high	91.5	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.008	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-61.1	-15.3	178.2	0	0	0	0	0	114.3	Q553 I557 C558 A996 M997 L1000	Q553-A555 PolarHBondContact O-N 2.99Å; Q553-A555 VanDerWaalsContact O-N 3.12Å; A555-I557 PolarHBondContact O-N 2.86Å; A555-C558 WeakPolarHBondContact O-CB 3.45Å; A555-C558 PolarHBondContact O-N 3.18Å; A555-C558 PolarHBondContact O-SG 2.77Å; A555-C558 VanDerWaalsContact O-SG 3.32Å; A555-A996 HydrophobicContact CB-CB 4.22Å; A555-A996 WeakPolarHBondContact CB-O 3.42Å; A555-M997 HydrophobicContact CB-SD 4.1Å; A555-L1000 HydrophobicContact CB-CB 4.16Å
556	R	95.9	Very high	92.1	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-49.5	-30	166.8	-73.8	170.3	179.1	-119	3.5	113.5	H526 Q553 I554 C558 E559 L569 P656 G657 Y991 A996	H526-R556 HydrophobicContact CB-CB 4.42Å; H526-R556 PolarHBondContact ND1-NH1 2.9Å; Q553-R556 HydrophobicContact CB-CG 4.45Å; Q553-R556 VanDerWaalsContact O-CB 3.32Å; Q553-R556 WeakPolarHBondContact O-CB 3.4Å; Q553-R556 VanDerWaalsContact O-CD 3.31Å; Q553-R556 WeakPolarHBondContact O-CD 3.2Å; Q553-R556 WeakPolarHBondContact O-CG 3.24Å; Q553-R556 PolarHBondContact O-N 2.99Å; Q553-R556 VanDerWaalsContact O-N 3.09Å; Q553-R556 VanDerWaalsContact OE1-CZ 3.25Å; Q553-R556 VanDerWaalsContact OE1-NE 3.14Å; I554-R556 PolarHBondContact O-N 3.15Å; R556-C558 PolarHBondContact O-N 2.95Å; R556-C558 VanDerWaalsContact O-N 3.12Å; R556-E559 PolarHBondContact O-N 3.2Å; R556-L569 HydrophobicContact CB-CD1 4.48Å; R556-P656 PolarHBondContact NH1-O 2.98Å; R556-P656 PolarHBondContact NH2-O 2.83Å; R556-G657 VanDerWaalsContact NH2-CA 3.29Å; R556-Y991 HydrophobicContact CG-CD1 4.23Å; R556-Y991 HydrophobicContact CG-CE1 3.51Å; R556-Y991 HydrophobicContact CG-CE2 4.37Å; R556-Y991 VanDerWaalsContact NH2-CD1 3.25Å; R556-Y991 PolarHBondContact NH2-O 2.87Å; R556-A996 HydrophobicContact CG-CB 4.34Å
557	I	95.1	Very high	92.6	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-60.4	-21.6	178.5	-156.2	169.1	0	0	0	112.9	I554 A555 E559 I560 V567 L569 Y583 L587 Y608 I610	I554-I557 WeakPolarHBondContact O-CB 3.36Å; I554-I557 WeakPolarHBondContact O-CG2 3.3Å; I554-I557 PolarHBondContact O-N 3.03Å; A555-I557 PolarHBondContact O-N 2.86Å; I557-E559 PolarHBondContact O-N 3.41Å; I557-I560 WeakPolarHBondContact O-CB 3.44Å; I557-I560 WeakPolarHBondContact O-CG2 3.49Å; I557-I560 PolarHBondContact O-N 2.87Å; I557-V567 HydrophobicContact CG1-CG1 4.38Å; I557-L569 HydrophobicContact CB-CD2 4.44Å; I557-Y583 HydrophobicContact CG2-CD1 4.31Å; I557-L587 HydrophobicContact CD1-CD1 3.78Å; I557-L587 HydrophobicContact CG1-CD1 3.78Å; I557-L587 HydrophobicContact CG2-CD1 4.24Å; I557-L587 HydrophobicContact CG2-CD2 4.33Å; I557-Y608 HydrophobicContact CD1-CD2 3.64Å; I557-Y608 HydrophobicContact CD1-CE2 3.91Å; I557-Y608 HydrophobicContact CD1-CG 4.36Å; I557-Y608 HydrophobicContact CG1-CD2 4.35Å; I557-I610 HydrophobicContact CD1-CD1 3.79Å; I557-I610 HydrophobicContact CD1-CG1 3.82Å
558	C	95.7	Very high	93.2	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.007	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-71.1	-9.6	179.2	-60.5	0	0	0	0	113.7	A555 R556 I560 R561 Q999 F1003	A555-C558 WeakPolarHBondContact O-CB 3.45Å; A555-C558 PolarHBondContact O-N 3.18Å; A555-C558 PolarHBondContact O-SG 2.77Å; A555-C558 VanDerWaalsContact O-SG 3.32Å; R556-C558 PolarHBondContact O-N 2.95Å; R556-C558 VanDerWaalsContact O-N 3.12Å; C558-I560 PolarHBondContact O-N 3.26Å; C558-I560 VanDerWaalsContact O-N 3.11Å; C558-R561 WeakPolarHBondContact O-CB 3.41Å; C558-R561 PolarHBondContact O-N 2.93Å; C558-Q999 HydrophobicContact CB-CB 4.08Å; C558-Q999 WeakPolarHBondContact CB-O 3.42Å; C558-F1003 HydrophobicContact CB-CB 3.78Å; C558-F1003 HydrophobicContact CB-CD2 4.39Å; C558-F1003 HydrophobicContact CB-CG 4.17Å
559	E	95.1	Very high	93.7	Very high	19 Å²	19	17.1 Å²	17.1	9%	0.089	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-61	-17.4	170.7	-72.4	178.8	-158.9	0	0	112.8	I524 H526 R556 I557 R561 N562 V567 Y991 Q999	I524-E559 WeakPolarHBondContact CD1-OE2 3.37Å; H526-E559 IonicContact CE1-OE1 3.57Å; H526-E559 PolarHBondContact CE1-OE1 3.38Å; H526-E559 VanDerWaalsContact CE1-OE1 3.28Å; H526-E559 IonicContact CE1-OE2 2.66Å; H526-E559 PolarHBondContact CE1-OE2 3Å; H526-E559 IonicContact NE2-OE1 3.2Å; H526-E559 PolarHBondContact NE2-OE1 3.49Å; H526-E559 IonicContact NE2-OE2 2.7Å; H526-E559 PolarHBondContact NE2-OE2 2.93Å; R556-E559 PolarHBondContact O-N 3.2Å; I557-E559 PolarHBondContact O-N 3.41Å; E559-R561 PolarHBondContact O-N 3.28Å; E559-N562 PolarHBondContact O-N 3.43Å; E559-N562 VanDerWaalsContact O-N 3.1Å; E559-V567 HydrophobicContact CB-CG2 4.27Å; E559-Y991 WeakPolarHBondContact OE1-CE2 3.33Å; E559-Y991 PolarHBondContact OE1-OH 2.79Å; E559-Q999 HydrophobicContact CG-CB 4.45Å; E559-Q999 HydrophobicContact CG-CG 3.81Å
560	I	94.3	Very high	94.2	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-58.6	-7.8	167.2	-163.5	163.6	0	0	0	113.3	I557 C558 N562 V567 L587 I604 R607 Y608	I557-I560 WeakPolarHBondContact O-CB 3.44Å; I557-I560 WeakPolarHBondContact O-CG2 3.49Å; I557-I560 PolarHBondContact O-N 2.87Å; C558-I560 PolarHBondContact O-N 3.26Å; C558-I560 VanDerWaalsContact O-N 3.11Å; I560-N562 PolarHBondContact O-N 3.35Å; I560-V567 HydrophobicContact CB-CG2 4.08Å; I560-L587 HydrophobicContact CG2-CD1 4.44Å; I560-L587 HydrophobicContact CG2-CD2 3.72Å; I560-L587 HydrophobicContact CG2-CG 4.49Å; I560-I604 HydrophobicContact CD1-CD1 4.36Å; I560-I604 HydrophobicContact CD1-CG1 4.3Å; I560-I604 HydrophobicContact CD1-CG2 4.07Å; I560-I604 HydrophobicContact CG1-CD1 4.33Å; I560-R607 HydrophobicContact CD1-CB 3.5Å; I560-R607 HydrophobicContact CG1-CB 4.2Å; I560-R607 PolarHBondContact O-NH2 2.96Å; I560-Y608 HydrophobicContact CD1-CD1 4.14Å; I560-Y608 HydrophobicContact CD1-CG 4.37Å
561	R	91.7	Very high	94.3	Very high	44 Å²	44	16.8 Å²	16.8	17%	0.166	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-53.8	-35.7	167.9	-167.3	-170.5	73.8	72.5	-2.4	111.9	C558 E559 P563 L1002 F1003 N1006 T1007	C558-R561 WeakPolarHBondContact O-CB 3.41Å; C558-R561 PolarHBondContact O-N 2.93Å; E559-R561 PolarHBondContact O-N 3.28Å; R561-P563 WeakPolarHBondContact O-CD 3.27Å; R561-L1002 WeakPolarHBondContact CD-O 3.38Å; R561-F1003 HydrophobicContact CB-CD2 3.97Å; R561-F1003 HydrophobicContact CG-CD2 4.34Å; R561-N1006 PolarHBondContact NH1-OD1 2.97Å; R561-T1007 PolarHBondContact NE-O 3.46Å; R561-T1007 VanDerWaalsContact NE-O 3.08Å; R561-T1007 PolarHBondContact NH2-O 2.98Å
562	N	91.5	Very high	94.3	Very high	48 Å²	48	16.3 Å²	16.3	26%	0.257	9%	0.087	S	C	.	.	S	Bend	trans	-71.7	122.6	177.1	-177.8	-9.6	0	0	0	109.4	E559 I560 N564 T565 R607	E559-N562 PolarHBondContact O-N 3.43Å; E559-N562 VanDerWaalsContact O-N 3.1Å; I560-N562 PolarHBondContact O-N 3.35Å; N562-N564 PolarHBondContact O-N 2.8Å; N562-N564 VanDerWaalsContact O-N 3.15Å; N562-N564 PolarHBondContact OD1-N 3.49Å; N562-T565 WeakPolarHBondContact CB-OG1 3.43Å; N562-T565 PolarHBondContact ND2-OG1 2.98Å; N562-T565 PolarHBondContact O-N 2.9Å; N562-R607 PolarHBondContact O-NH2 3.12Å
563	P	90.6	Very high	94	Very high	90 Å²	90	16.8 Å²	16.8	58%	0.584	9%	0.093	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-27.2	179.2	24.2	-34.9	0	0	0	112.5	R561 T565 R607	R561-P563 WeakPolarHBondContact O-CD 3.27Å; P563-T565 VanDerWaalsContact C-N 3.32Å; P563-T565 PolarHBondContact O-N 2.95Å; P563-R607 PolarHBondContact O-NH1 2.64Å
564	N	94.5	Very high	93.5	Very high	51 Å²	51	20.1 Å²	20.1	27%	0.273	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	2	179.7	-59	-20.7	0	0	0	113.4	Q519 N521 H522 N562	Q519-N564 PolarHBondContact O-ND2 3.38Å; N521-N564 CarbonylContact C-O 3.05Å; N521-N564 VanDerWaalsContact CA-O 3.26Å; N521-N564 WeakPolarHBondContact CA-O 3.34Å; N521-N564 WeakPolarHBondContact OD1-CA 3.23Å; N521-N564 PolarHBondContact OD1-OD1 2.99Å; H522-N564 PolarHBondContact N-O 3.44Å; H522-N564 PolarHBondContact ND1-O 2.93Å; N562-N564 PolarHBondContact O-N 2.8Å; N562-N564 VanDerWaalsContact O-N 3.15Å; N562-N564 PolarHBondContact OD1-N 3.49Å
565	T	95.9	Very high	93.1	Very high	4 Å²	4	20.9 Å²	20.9	3%	0.025	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	123	-176.6	-56.5	0	0	0	0	111.2	H522 I524 N562 P563 V567 R607	H522-T565 PolarHBondContact CE1-OG1 3.29Å; H522-T565 VanDerWaalsContact CE1-OG1 3.29Å; H522-T565 PolarHBondContact NE2-OG1 3Å; I524-T565 HydrophobicContact CB-CG2 4.42Å; I524-T565 HydrophobicContact CD1-CG2 3.61Å; I524-T565 HydrophobicContact CG1-CG2 3.86Å; N562-T565 WeakPolarHBondContact CB-OG1 3.43Å; N562-T565 PolarHBondContact ND2-OG1 2.98Å; N562-T565 PolarHBondContact O-N 2.9Å; P563-T565 VanDerWaalsContact C-N 3.32Å; P563-T565 PolarHBondContact O-N 2.95Å; T565-V567 HydrophobicContact CG2-CG2 4.17Å; T565-R607 PolarHBondContact O-NH1 3.06Å; T565-R607 PolarHBondContact O-NH2 3.49Å
566	D	97.5	Very high	92.6	Very high	20 Å²	20	22.7 Å²	22.7	11%	0.107	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	149.7	165.9	-81.2	14.5	0	0	0	109.8	H522 V523 I524 R607 F646 R650	H522-D566 PolarHBondContact O-N 3.17Å; V523-D566 CarbonylContact C-O 3.55Å; V523-D566 WeakPolarHBondContact CA-O 3.39Å; V523-D566 HydrophobicContact CG1-CB 4.43Å; V523-D566 HydrophobicContact CG2-CB 4.15Å; I524-D566 PolarHBondContact N-O 3.46Å; D566-R607 CarbonylContact C-O 3.58Å; D566-R607 VanDerWaalsContact CA-O 3.25Å; D566-R607 WeakPolarHBondContact CA-O 3.44Å; D566-R607 VanDerWaalsContact CB-O 3.23Å; D566-R607 WeakPolarHBondContact CB-O 3.3Å; D566-R607 WeakPolarHBondContact OD1-CB 3.34Å; D566-R607 WeakPolarHBondContact OD1-CG 3.31Å; D566-R607 IonicContact OD1-CZ 3.66Å; D566-R607 IonicContact OD1-NH1 2.58Å; D566-R607 PolarHBondContact OD1-NH1 3.46Å; D566-F646 HydrophobicContact CB-CE1 4.27Å; D566-F646 HydrophobicContact CB-CZ 4.3Å; D566-R650 IonicContact OD2-CZ 3.05Å; D566-R650 IonicContact OD2-NH1 3.46Å; D566-R650 PolarHBondContact OD2-NH1 3.06Å; D566-R650 IonicContact OD2-NH2 2.74Å
567	V	98	Very high	92	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	129.2	-170.3	-179.5	0	0	0	0	112.7	I524 I557 E559 I560 T565 R607 Y608 R609	I524-V567 WeakPolarHBondContact O-CA 3.36Å; I557-V567 HydrophobicContact CG1-CG1 4.38Å; E559-V567 HydrophobicContact CB-CG2 4.27Å; I560-V567 HydrophobicContact CB-CG2 4.08Å; T565-V567 HydrophobicContact CG2-CG2 4.17Å; V567-R607 PolarHBondContact N-O 3.29Å; V567-Y608 CarbonylContact O-C 3.51Å; V567-Y608 WeakPolarHBondContact O-CA 3.03Å; V567-Y608 WeakPolarHBondContact O-CB 3.46Å; V567-R609 PolarHBondContact O-N 3.06Å
568	V	98.3	Very high	91.5	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.006	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	119.2	164.1	-179.7	0	0	0	0	108.1	V523 I524 V525 H526 R609 I611 I643 F646	V523-V568 HydrophobicContact CG1-CG2 3.99Å; I524-V568 PolarHBondContact O-N 3.41Å; V525-V568 CarbonylContact C-O 3.44Å; V525-V568 WeakPolarHBondContact CA-O 3.49Å; V525-V568 HydrophobicContact CB-CB 4.48Å; V525-V568 HydrophobicContact CG1-CB 4.31Å; V525-V568 HydrophobicContact CG1-CG1 4.31Å; V525-V568 HydrophobicContact CG2-CB 4.21Å; V525-V568 HydrophobicContact CG2-CG2 4.46Å; H526-V568 PolarHBondContact N-O 3.27Å; V568-R609 CarbonylContact C-O 3.39Å; V568-R609 WeakPolarHBondContact CA-O 3.47Å; V568-R609 HydrophobicContact CG2-CB 4.41Å; V568-I611 HydrophobicContact CG1-CG1 3.97Å; V568-I643 HydrophobicContact CG1-CD1 4.43Å; V568-I643 HydrophobicContact CG1-CG1 4.08Å; V568-I643 HydrophobicContact CG1-CG2 4.47Å; V568-F646 HydrophobicContact CG2-CD1 3.32Å; V568-F646 HydrophobicContact CG2-CE1 3.6Å; V568-F646 HydrophobicContact CG2-CG 4.25Å
569	L	97.3	Very high	91	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	123	172.7	-178.4	66.7	0	0	0	109.4	H526 P528 I554 R556 I557 T571 R609 I610 I611	H526-L569 HydrophobicContact CB-CD1 3.77Å; P528-L569 HydrophobicContact CG-CD1 4.14Å; I554-L569 HydrophobicContact CB-CD2 4.5Å; I554-L569 HydrophobicContact CG1-CD2 3.89Å; R556-L569 HydrophobicContact CB-CD1 4.48Å; I557-L569 HydrophobicContact CB-CD2 4.44Å; L569-T571 HydrophobicContact CD2-CG2 3.98Å; L569-T571 HydrophobicContact CG-CG2 3.99Å; L569-R609 PolarHBondContact N-O 3.06Å; L569-I610 CarbonylContact O-C 3.59Å; L569-I610 WeakPolarHBondContact O-CA 3.16Å; L569-I611 PolarHBondContact O-N 3.23Å
570	V	96.9	Very high	90.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	127.5	172.4	-175.3	0	0	0	0	108.9	H526 L527 P528 I611 P613 L629 L633 I643	H526-V570 PolarHBondContact O-N 3.32Å; L527-V570 HydrophobicContact CD1-CB 3.79Å; L527-V570 HydrophobicContact CD1-CG1 3.81Å; L527-V570 HydrophobicContact CD1-CG2 4.17Å; P528-V570 VanDerWaalsContact CD-O 3.23Å; P528-V570 WeakPolarHBondContact CD-O 3.06Å; P528-V570 WeakPolarHBondContact CG-O 3.49Å; V570-I611 WeakPolarHBondContact CA-O 3.39Å; V570-P613 HydrophobicContact CG1-CG 3.9Å; V570-L629 HydrophobicContact CG1-CD1 4.16Å; V570-L629 HydrophobicContact CG1-CD2 4.18Å; V570-L629 HydrophobicContact CG1-CG 4.13Å; V570-L633 HydrophobicContact CG1-CD2 4.22Å; V570-L633 HydrophobicContact CG2-CD2 4.05Å; V570-I643 HydrophobicContact CG2-CD1 4.04Å
571	T	93.7	Very high	90.4	Very high	17 Å²	17	39 Å²	39	10%	0.104	22%	0.217	C	C	.	.			trans	-121.1	150.8	179.3	62.7	0	0	0	0	111.1	L569 A573 I575 I610 I611 P613	L569-T571 HydrophobicContact CD2-CG2 3.98Å; L569-T571 HydrophobicContact CG-CG2 3.99Å; T571-A573 PolarHBondContact OG1-O 3.33Å; T571-I575 HydrophobicContact CG2-CD1 4.4Å; T571-I610 HydrophobicContact CG2-CG2 3.88Å; T571-I611 PolarHBondContact N-O 3.37Å; T571-P613 WeakPolarHBondContact O-CD 3.41Å
572	R	90.1	Very high	90.3	Very high	8 Å²	8	38.9 Å²	38.9	3%	0.03	22%	0.217	C	C	.	.	S	Bend	trans	-73.2	-38.9	175.8	179.7	178.1	-78.7	125.6	-0	112.3	L546 E550 I616 M627 L629 L632	L546-R572 PolarHBondContact O-NH1 2.85Å; E550-R572 IonicContact OE1-CZ 3.38Å; E550-R572 VanDerWaalsContact OE1-CZ 3.31Å; E550-R572 IonicContact OE1-NH1 2.69Å; E550-R572 PolarHBondContact OE1-NH1 3.47Å; E550-R572 IonicContact OE1-NH2 2.81Å; E550-R572 PolarHBondContact OE1-NH2 3.16Å; E550-R572 WeakPolarHBondContact OE2-CB 3.45Å; E550-R572 IonicContact OE2-CZ 3.45Å; E550-R572 IonicContact OE2-NE 3.59Å; E550-R572 PolarHBondContact OE2-NE 3.2Å; E550-R572 IonicContact OE2-NH1 3.55Å; E550-R572 PolarHBondContact OE2-NH1 2.89Å; E550-R572 IonicContact OE2-NH2 3.22Å; E550-R572 PolarHBondContact OE2-NH2 3.43Å; R572-I616 HydrophobicContact CG-CG1 4.46Å; R572-I616 WeakPolarHBondContact O-CD1 3.16Å; R572-I616 WeakPolarHBondContact O-CG1 3.39Å; R572-M627 PolarHBondContact NH2-O 3.19Å; R572-L629 HydrophobicContact CB-CD1 4.07Å; R572-L632 HydrophobicContact CG-CD1 4.35Å
573	A	82.9	Confident	90.3	Very high	17 Å²	17	36.7 Å²	36.7	14%	0.14	21%	0.205	C	C	.	.	S	Bend	trans	-109.8	150.3	-178	0	0	0	0	0	111	T571 I575	T571-A573 PolarHBondContact OG1-O 3.33Å; A573-I575 PolarHBondContact O-N 2.96Å
574	P	81.3	Confident	90.3	Very high	90 Å²	90	35 Å²	35	58%	0.584	19%	0.191	S	C	*	.	P	Polyproline II helix	trans	-61.5	133.1	165.1	28.8	-32.7	0	0	0	109.8	V612	P574-V612 HydrophobicContact CB-CG2 4.37Å
575	I	84.2	Confident	90.1	Very high	27 Å²	27	37.7 Å²	37.7	14%	0.138	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-81.1	130	172	-55.6	-176.6	0	0	0	107.4	I554 T571 A573 L579 I610 D1092	I554-I575 HydrophobicContact CD1-CD1 3.79Å; T571-I575 HydrophobicContact CG2-CD1 4.4Å; A573-I575 PolarHBondContact O-N 2.96Å; I575-L579 HydrophobicContact CG2-CB 3.32Å; I575-L579 HydrophobicContact CG2-CD1 4.25Å; I575-L579 HydrophobicContact CG2-CG 4.42Å; I575-I610 HydrophobicContact CD1-CD1 3.73Å; I575-I610 HydrophobicContact CD1-CG2 3.76Å; I575-I610 HydrophobicContact CG1-CG2 4.41Å; I575-D1092 WeakPolarHBondContact CA-OD2 3.48Å; I575-D1092 HydrophobicContact CG2-CB 4.5Å
576	S	83.7	Confident	89.9	Confident	39 Å²	39	38 Å²	38	27%	0.273	20%	0.202	S	C	.	.	P	Polyproline II helix	trans	-54.7	148.1	172.6	50.3	0	0	0	0	111.2	D578 L579 L580 D1092	S576-D578 PolarHBondContact O-N 3.26Å; S576-L579 PolarHBondContact O-N 3.13Å; S576-L579 WeakPolarHBondContact OG-CG 3.32Å; S576-L580 PolarHBondContact O-N 3.18Å; S576-D1092 VanDerWaalsContact CB-OD2 3.29Å; S576-D1092 WeakPolarHBondContact CB-OD2 3.48Å; S576-D1092 PolarHBondContact N-OD2 3.3Å; S576-D1092 PolarHBondContact OG-OD2 3.01Å
577	D	84	Confident	89.8	Confident	132 Å²	132	37.1 Å²	37.1	71%	0.706	20%	0.197	S	C	*	.	H	α-helix	trans	-58.4	-36.4	-176.5	-67.3	-35.9	0	0	0	111.9	L579 L580 E581	D577-L579 PolarHBondContact O-N 2.84Å; D577-L580 PolarHBondContact O-N 3.4Å; D577-E581 WeakPolarHBondContact O-CB 3.38Å; D577-E581 PolarHBondContact O-N 3.01Å
578	D	83.5	Confident	89.5	Confident	70 Å²	70	37.1 Å²	37.1	37%	0.374	20%	0.197	S	C	.	.	H	α-helix	trans	-59	-44.2	175.1	-69.3	-5.9	0	0	0	112.3	S576 E581 Y582	S576-D578 PolarHBondContact O-N 3.26Å; D578-E581 PolarHBondContact O-N 2.98Å; D578-Y582 PolarHBondContact O-N 2.78Å
579	L	85.9	Confident	89.1	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-75.2	-36.5	178.9	-74	-169.1	0	0	0	112	I575 S576 D577 E581 Y582 Y583 Y1064 P1090 D1092	I575-L579 HydrophobicContact CG2-CB 3.32Å; I575-L579 HydrophobicContact CG2-CD1 4.25Å; I575-L579 HydrophobicContact CG2-CG 4.42Å; S576-L579 PolarHBondContact O-N 3.13Å; S576-L579 WeakPolarHBondContact OG-CG 3.32Å; D577-L579 PolarHBondContact O-N 2.84Å; L579-E581 VanDerWaalsContact C-N 3.28Å; L579-E581 PolarHBondContact O-N 3.29Å; L579-Y582 WeakPolarHBondContact O-CB 3.48Å; L579-Y582 PolarHBondContact O-N 3.28Å; L579-Y583 VanDerWaalsContact O-CD2 3.27Å; L579-Y583 WeakPolarHBondContact O-CD2 3.47Å; L579-Y583 PolarHBondContact O-N 3.08Å; L579-Y1064 HydrophobicContact CD1-CD2 4.23Å; L579-Y1064 HydrophobicContact CD1-CE2 3.61Å; L579-Y1064 HydrophobicContact CD2-CD1 4.23Å; L579-Y1064 HydrophobicContact CD2-CD2 3.42Å; L579-Y1064 VanDerWaalsContact CD2-CD2 3.42Å; L579-Y1064 HydrophobicContact CD2-CE1 4.31Å; L579-Y1064 HydrophobicContact CD2-CE2 3.51Å; L579-Y1064 HydrophobicContact CD2-CG 3.81Å; L579-Y1064 HydrophobicContact CG-CD2 3.71Å; L579-Y1064 HydrophobicContact CG-CE2 3.63Å; L579-P1090 HydrophobicContact CD2-CB 3.54Å; L579-P1090 HydrophobicContact CD2-CG 3.47Å; L579-P1090 VanDerWaalsContact CD2-CG 3.47Å; L579-D1092 HydrophobicContact CD1-CB 3.71Å
580	L	88.6	Confident	88.7	Confident	59 Å²	59	39.5 Å²	39.5	31%	0.309	21%	0.21	S	C	.	.	H	α-helix	trans	-61.9	-40.5	172.7	-173.5	65.4	0	0	0	110.6	S576 D577 N584 I610	S576-L580 PolarHBondContact O-N 3.18Å; D577-L580 PolarHBondContact O-N 3.4Å; L580-N584 VanDerWaalsContact O-CB 3.3Å; L580-N584 WeakPolarHBondContact O-CB 3.18Å; L580-N584 PolarHBondContact O-N 2.76Å; L580-N584 PolarHBondContact O-ND2 3.34Å; L580-I610 HydrophobicContact CD1-CD1 4.22Å
581	E	88.1	Confident	88.3	Confident	99 Å²	99	41.5 Å²	41.5	46%	0.463	22%	0.222	S	C	.	.	H	α-helix	trans	-64.1	-43	173.1	-169	-175.6	159.5	0	0	111.5	D577 D578 L579 N584 K585	D577-E581 WeakPolarHBondContact O-CB 3.38Å; D577-E581 PolarHBondContact O-N 3.01Å; D578-E581 PolarHBondContact O-N 2.98Å; L579-E581 VanDerWaalsContact C-N 3.28Å; L579-E581 PolarHBondContact O-N 3.29Å; E581-N584 PolarHBondContact O-N 3.01Å; E581-K585 HydrophobicContact CG-CD 4.25Å; E581-K585 WeakPolarHBondContact O-CB 3.09Å; E581-K585 WeakPolarHBondContact O-CG 3.43Å; E581-K585 PolarHBondContact O-N 3.22Å; E581-K585 VanDerWaalsContact OE1-CE 3.22Å; E581-K585 WeakPolarHBondContact OE1-CE 3.26Å; E581-K585 IonicContact OE1-NZ 3.73Å; E581-K585 PolarHBondContact OE1-NZ 2.92Å
582	Y	90	Very high	88.1	Confident	42 Å²	42	40.7 Å²	40.7	17%	0.165	22%	0.217	C	C	.	.	H	α-helix	trans	-56.8	-51.8	175.1	176	-95.1	0	0	0	112	D578 L579 K585 L586 F1068 F1088 P1090	D578-Y582 PolarHBondContact O-N 2.78Å; L579-Y582 WeakPolarHBondContact O-CB 3.48Å; L579-Y582 PolarHBondContact O-N 3.28Å; Y582-K585 PolarHBondContact O-N 3.19Å; Y582-L586 HydrophobicContact CE1-CD2 4.11Å; Y582-L586 WeakPolarHBondContact O-CB 3.39Å; Y582-L586 PolarHBondContact O-N 3.41Å; Y582-F1068 HydrophobicContact CD2-CE1 4.3Å; Y582-F1068 AromaticContact CD2-CE2 3.71Å; Y582-F1068 HydrophobicContact CD2-CE2 3.71Å; Y582-F1068 AromaticContact CD2-CZ 3.57Å; Y582-F1068 HydrophobicContact CD2-CZ 3.57Å; Y582-F1068 AromaticContact CE2-CE1 3.79Å; Y582-F1068 HydrophobicContact CE2-CE1 3.79Å; Y582-F1068 HydrophobicContact CE2-CE2 4.04Å; Y582-F1068 AromaticContact CE2-CZ 3.41Å; Y582-F1068 HydrophobicContact CE2-CZ 3.41Å; Y582-F1068 VanDerWaalsContact CE2-CZ 3.41Å; Y582-F1068 HydrophobicContact CG-CE2 4.4Å; Y582-F1068 HydrophobicContact CG-CZ 4.35Å; Y582-F1088 PolarHBondContact OH-O 3.18Å; Y582-P1090 HydrophobicContact CD1-CG 3.75Å; Y582-P1090 VanDerWaalsContact CE1-CD 3.5Å; Y582-P1090 HydrophobicContact CE1-CG 3.79Å; Y582-P1090 HydrophobicContact CG-CG 4.34Å
583	Y	91.5	Very high	88	Confident	2 Å²	2	40.5 Å²	40.5	1%	0.008	22%	0.217	C	C	.	.	H	α-helix	trans	-68.6	-36.5	179.9	-78.7	-70.5	0	0	0	112.4	I554 I557 L579 K585 L586 L587 S1089 P1090	I554-Y583 HydrophobicContact CD1-CD2 4.05Å; I554-Y583 HydrophobicContact CD1-CE1 4.42Å; I554-Y583 HydrophobicContact CD1-CE2 3.36Å; I554-Y583 HydrophobicContact CG1-CE1 4.23Å; I554-Y583 HydrophobicContact CG1-CE2 4.06Å; I554-Y583 WeakPolarHBondContact CG2-OH 3.36Å; I557-Y583 HydrophobicContact CG2-CD1 4.31Å; L579-Y583 VanDerWaalsContact O-CD2 3.27Å; L579-Y583 WeakPolarHBondContact O-CD2 3.47Å; L579-Y583 PolarHBondContact O-N 3.08Å; Y583-K585 VanDerWaalsContact C-N 3.29Å; Y583-K585 PolarHBondContact O-N 3Å; Y583-L586 HydrophobicContact CD1-CD2 4.15Å; Y583-L586 HydrophobicContact CE1-CD2 4.26Å; Y583-L586 PolarHBondContact O-N 3.08Å; Y583-L587 VanDerWaalsContact O-CB 3.31Å; Y583-L587 WeakPolarHBondContact O-CB 3.28Å; Y583-L587 VanDerWaalsContact O-CG 3.24Å; Y583-L587 WeakPolarHBondContact O-CG 3.4Å; Y583-L587 PolarHBondContact O-N 3.47Å; Y583-S1089 PolarHBondContact OH-OG 3.22Å; Y583-S1089 VanDerWaalsContact OH-OG 3.06Å; Y583-P1090 HydrophobicContact CE2-CG 4.46Å; Y583-P1090 PolarHBondContact OH-O 2.82Å
584	N	91.4	Very high	88.2	Confident	54 Å²	54	43.3 Å²	43.3	29%	0.289	23%	0.227	S	C	.	.	H	α-helix	trans	-57.2	-44.7	170.4	-87.9	-56.4	0	0	0	111.6	L580 E581 G588 Y608	L580-N584 VanDerWaalsContact O-CB 3.3Å; L580-N584 WeakPolarHBondContact O-CB 3.18Å; L580-N584 PolarHBondContact O-N 2.76Å; L580-N584 PolarHBondContact O-ND2 3.34Å; E581-N584 PolarHBondContact O-N 3.01Å; N584-G588 PolarHBondContact O-N 3.02Å; N584-Y608 PolarHBondContact ND2-OH 3.37Å; N584-Y608 PolarHBondContact OD1-OH 3.21Å
585	K	90.1	Very high	88.6	Confident	108 Å²	108	40.6 Å²	40.6	47%	0.47	21%	0.209	S	C	.	.	H	α-helix	trans	-66.1	-52.1	177.9	-78	173	171	169.7	0	111.1	E581 Y582 Y583 L587 G588 L589 Q601	E581-K585 HydrophobicContact CG-CD 4.25Å; E581-K585 WeakPolarHBondContact O-CB 3.09Å; E581-K585 WeakPolarHBondContact O-CG 3.43Å; E581-K585 PolarHBondContact O-N 3.22Å; E581-K585 VanDerWaalsContact OE1-CE 3.22Å; E581-K585 WeakPolarHBondContact OE1-CE 3.26Å; E581-K585 IonicContact OE1-NZ 3.73Å; E581-K585 PolarHBondContact OE1-NZ 2.92Å; Y582-K585 PolarHBondContact O-N 3.19Å; Y583-K585 VanDerWaalsContact C-N 3.29Å; Y583-K585 PolarHBondContact O-N 3Å; K585-L587 PolarHBondContact O-N 2.92Å; K585-G588 PolarHBondContact O-N 3.45Å; K585-G588 VanDerWaalsContact O-N 3.15Å; K585-L589 WeakPolarHBondContact O-CG 3.44Å; K585-L589 PolarHBondContact O-N 3.41Å; K585-Q601 PolarHBondContact O-NE2 3.42Å
586	L	92	Very high	88.6	Confident	12 Å²	12	39.6 Å²	39.6	6%	0.063	21%	0.205	C	C	.	.	H	α-helix	trans	-54.5	-51.8	180	177	64.9	0	0	0	111.2	Y582 Y583 G588 L589 L1000 F1003 L1087	Y582-L586 HydrophobicContact CE1-CD2 4.11Å; Y582-L586 WeakPolarHBondContact O-CB 3.39Å; Y582-L586 PolarHBondContact O-N 3.41Å; Y583-L586 HydrophobicContact CD1-CD2 4.15Å; Y583-L586 HydrophobicContact CE1-CD2 4.26Å; Y583-L586 PolarHBondContact O-N 3.08Å; L586-G588 VanDerWaalsContact C-N 3.33Å; L586-G588 PolarHBondContact O-N 3.08Å; L586-L589 VanDerWaalsContact O-CB 3.27Å; L586-L589 WeakPolarHBondContact O-CB 3.29Å; L586-L589 PolarHBondContact O-N 3.04Å; L586-L589 VanDerWaalsContact O-N 3.15Å; L586-L1000 HydrophobicContact CD2-CD1 4.16Å; L586-F1003 HydrophobicContact CD1-CE1 4.1Å; L586-F1003 HydrophobicContact CG-CE1 4.22Å; L586-F1003 WeakPolarHBondContact O-CE1 3.38Å; L586-F1003 VanDerWaalsContact O-CZ 3.25Å; L586-F1003 WeakPolarHBondContact O-CZ 3.32Å; L586-L1087 HydrophobicContact CD1-CD2 4.5Å
587	L	93.6	Very high	88.8	Confident	0 Å²	0	41 Å²	41	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-70.2	-30.6	-179.7	-61.8	-179.8	0	0	0	112.2	I557 I560 Y583 K585 L589 T590 I604 Y608 F1003	I557-L587 HydrophobicContact CD1-CD1 3.78Å; I557-L587 HydrophobicContact CG1-CD1 3.78Å; I557-L587 HydrophobicContact CG2-CD1 4.24Å; I557-L587 HydrophobicContact CG2-CD2 4.33Å; I560-L587 HydrophobicContact CG2-CD1 4.44Å; I560-L587 HydrophobicContact CG2-CD2 3.72Å; I560-L587 HydrophobicContact CG2-CG 4.49Å; Y583-L587 VanDerWaalsContact O-CB 3.31Å; Y583-L587 WeakPolarHBondContact O-CB 3.28Å; Y583-L587 VanDerWaalsContact O-CG 3.24Å; Y583-L587 WeakPolarHBondContact O-CG 3.4Å; Y583-L587 PolarHBondContact O-N 3.47Å; K585-L587 PolarHBondContact O-N 2.92Å; L587-L589 PolarHBondContact O-N 3.25Å; L587-T590 PolarHBondContact O-N 3.13Å; L587-T590 PolarHBondContact O-OG1 3.45Å; L587-I604 HydrophobicContact CB-CG2 3.76Å; L587-Y608 HydrophobicContact CD1-CD1 3.97Å; L587-Y608 HydrophobicContact CD1-CD2 4.4Å; L587-Y608 HydrophobicContact CD1-CE1 3.93Å; L587-Y608 HydrophobicContact CD1-CE2 4.34Å; L587-Y608 HydrophobicContact CD1-CG 4.2Å; L587-F1003 HydrophobicContact CD2-CE2 4.09Å; L587-F1003 HydrophobicContact CD2-CZ 4.23Å
588	G	91.9	Very high	88.8	Confident	1 Å²	1	37.9 Å²	37.9	1%	0.01	20%	0.2	C	C	.	.	H	α-helix	trans	-66.9	-12.8	173	0	0	0	0	0	114.1	N584 K585 L586 T590 Q601 C602	N584-G588 PolarHBondContact O-N 3.02Å; K585-G588 PolarHBondContact O-N 3.45Å; K585-G588 VanDerWaalsContact O-N 3.15Å; L586-G588 VanDerWaalsContact C-N 3.33Å; L586-G588 PolarHBondContact O-N 3.08Å; G588-T590 PolarHBondContact O-N 3.33Å; G588-Q601 WeakPolarHBondContact O-CG 3.46Å; G588-C602 CarbonylContact C-O 3.43Å; G588-C602 WeakPolarHBondContact CA-O 3.43Å; G588-C602 PolarHBondContact O-N 2.9Å; G588-C602 VanDerWaalsContact O-N 3.11Å; G588-C602 VanDerWaalsContact O-O 3.13Å
589	L	90.8	Very high	88.9	Confident	38 Å²	38	41.5 Å²	41.5	20%	0.199	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-1	174.7	-62.9	172.8	0	0	0	113.2	K585 L586 L587 T591 A592 I593 Q601 L1080	K585-L589 WeakPolarHBondContact O-CG 3.44Å; K585-L589 PolarHBondContact O-N 3.41Å; L586-L589 VanDerWaalsContact O-CB 3.27Å; L586-L589 WeakPolarHBondContact O-CB 3.29Å; L586-L589 PolarHBondContact O-N 3.04Å; L586-L589 VanDerWaalsContact O-N 3.15Å; L587-L589 PolarHBondContact O-N 3.25Å; L589-T591 PolarHBondContact O-N 2.97Å; L589-A592 HydrophobicContact CB-CB 4.43Å; L589-A592 HydrophobicContact CD2-CB 4.03Å; L589-A592 CarbonylContact O-C 3.56Å; L589-A592 PolarHBondContact O-N 2.86Å; L589-A592 VanDerWaalsContact O-N 3.09Å; L589-I593 HydrophobicContact CB-CD1 4.02Å; L589-I593 HydrophobicContact CB-CG1 4.08Å; L589-I593 VanDerWaalsContact O-CB 3.29Å; L589-I593 WeakPolarHBondContact O-CB 3.42Å; L589-I593 WeakPolarHBondContact O-CG1 3.46Å; L589-I593 PolarHBondContact O-N 3.09Å; L589-Q601 HydrophobicContact CD2-CB 4.46Å; L589-Q601 HydrophobicContact CD2-CG 4.15Å; L589-L1080 HydrophobicContact CD1-CD2 4.48Å; L589-L1080 HydrophobicContact CD2-CD1 4.38Å
590	T	88.5	Confident	88.9	Confident	14 Å²	14	44.3 Å²	44.3	9%	0.086	23%	0.23	C	C	.	.	H	α-helix	trans	-50.8	-50.5	-176.8	-54.6	0	0	0	0	113.5	L587 G588 I593 E594	L587-T590 PolarHBondContact O-N 3.13Å; L587-T590 PolarHBondContact O-OG1 3.45Å; G588-T590 PolarHBondContact O-N 3.33Å; T590-I593 WeakPolarHBondContact O-CB 3.4Å; T590-I593 PolarHBondContact O-N 3.05Å; T590-E594 WeakPolarHBondContact O-CG 3.49Å; T590-E594 PolarHBondContact O-N 3.28Å
591	T	88.3	Confident	88.8	Confident	41 Å²	41	45.7 Å²	45.7	25%	0.252	24%	0.235	S	C	.	.	H	α-helix	trans	-71.4	-36.5	177.5	44	0	0	0	0	112.9	L589 I593 E594 T595 N600 C602	L589-T591 PolarHBondContact O-N 2.97Å; T591-I593 VanDerWaalsContact C-N 3.29Å; T591-E594 PolarHBondContact O-N 3.03Å; T591-T595 WeakPolarHBondContact O-CG2 3.44Å; T591-T595 PolarHBondContact O-N 2.66Å; T591-T595 PolarHBondContact O-OG1 2.78Å; T591-N600 WeakPolarHBondContact CB-O 3.05Å; T591-N600 PolarHBondContact OG1-O 3.43Å; T591-C602 PolarHBondContact OG1-SG 2.76Å; T591-C602 VanDerWaalsContact OG1-SG 3.37Å
592	A	89.7	Confident	88.7	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-66.7	-34.1	174.6	0	0	0	0	0	112.1	L589 G596 Q597	L589-A592 HydrophobicContact CB-CB 4.43Å; L589-A592 HydrophobicContact CD2-CB 4.03Å; L589-A592 CarbonylContact O-C 3.56Å; L589-A592 PolarHBondContact O-N 2.86Å; L589-A592 VanDerWaalsContact O-N 3.09Å; A592-G596 CarbonylContact O-C 3.58Å; A592-G596 VanDerWaalsContact O-CA 3.29Å; A592-G596 WeakPolarHBondContact O-CA 3.45Å; A592-G596 PolarHBondContact O-N 2.9Å; A592-Q597 VanDerWaalsContact CA-O 3.28Å; A592-Q597 WeakPolarHBondContact CA-O 3.41Å; A592-Q597 WeakPolarHBondContact CB-O 3.29Å; A592-Q597 PolarHBondContact O-N 2.83Å
593	I	88.6	Confident	88.5	Confident	5 Å²	5	46.1 Å²	46.1	3%	0.026	25%	0.254	C	S	.	.	H	α-helix	trans	-62.9	-68.6	170.3	-71.4	166.5	0	0	0	104.9	L589 T590 T591 T595 G596 F1003 N1006 L1080 R1083	L589-I593 HydrophobicContact CB-CD1 4.02Å; L589-I593 HydrophobicContact CB-CG1 4.08Å; L589-I593 VanDerWaalsContact O-CB 3.29Å; L589-I593 WeakPolarHBondContact O-CB 3.42Å; L589-I593 WeakPolarHBondContact O-CG1 3.46Å; L589-I593 PolarHBondContact O-N 3.09Å; T590-I593 WeakPolarHBondContact O-CB 3.4Å; T590-I593 PolarHBondContact O-N 3.05Å; T591-I593 VanDerWaalsContact C-N 3.29Å; I593-T595 VanDerWaalsContact C-N 3.28Å; I593-T595 PolarHBondContact O-N 2.95Å; I593-G596 PolarHBondContact O-N 2.99Å; I593-F1003 HydrophobicContact CD1-CD1 4Å; I593-F1003 HydrophobicContact CD1-CE1 3.48Å; I593-F1003 VanDerWaalsContact CD1-CE1 3.48Å; I593-F1003 HydrophobicContact CD1-CZ 3.89Å; I593-N1006 HydrophobicContact CG2-CB 3.67Å; I593-L1080 HydrophobicContact CG1-CD2 3.57Å; I593-R1083 VanDerWaalsContact C-NH2 3.34Å; I593-R1083 VanDerWaalsContact CG2-NH1 3.29Å; I593-R1083 PolarHBondContact O-NH1 3.35Å; I593-R1083 PolarHBondContact O-NH2 3.3Å
594	E	87.6	Confident	88.3	Confident	76 Å²	76	46.8 Å²	46.8	36%	0.355	26%	0.258	S	S	.	.	H	α-helix	trans	-40.4	-50.3	-179.6	-74.2	169.4	177.9	0	0	114.9	T590 T591 N1006 P1025 T1026	T590-E594 WeakPolarHBondContact O-CG 3.49Å; T590-E594 PolarHBondContact O-N 3.28Å; T591-E594 PolarHBondContact O-N 3.03Å; E594-N1006 VanDerWaalsContact CG-ND2 3.29Å; E594-N1006 WeakPolarHBondContact CG-ND2 3.39Å; E594-P1025 VanDerWaalsContact O-CA 3.29Å; E594-P1025 WeakPolarHBondContact O-CA 3.05Å; E594-T1026 PolarHBondContact O-N 3.38Å; E594-T1026 PolarHBondContact O-OG1 2.96Å
595	T	88.5	Confident	88.1	Confident	33 Å²	33	46.7 Å²	46.7	20%	0.202	26%	0.261	C	S	.	.	H	α-helix	trans	-79.7	-26.9	-177.5	57.8	0	0	0	0	114.5	T591 I593 Q597 N600 P1025 I1027	T591-T595 WeakPolarHBondContact O-CG2 3.44Å; T591-T595 PolarHBondContact O-N 2.66Å; T591-T595 PolarHBondContact O-OG1 2.78Å; I593-T595 VanDerWaalsContact C-N 3.28Å; I593-T595 PolarHBondContact O-N 2.95Å; T595-Q597 VanDerWaalsContact C-N 3.32Å; T595-Q597 PolarHBondContact OG1-N 3.07Å; T595-N600 VanDerWaalsContact CB-ND2 3.32Å; T595-N600 WeakPolarHBondContact CB-ND2 3.09Å; T595-N600 HydrophobicContact CG2-CB 4.48Å; T595-N600 PolarHBondContact OG1-ND2 2.82Å; T595-P1025 WeakPolarHBondContact O-CB 3.29Å; T595-I1027 VanDerWaalsContact O-CD1 3.31Å; T595-I1027 WeakPolarHBondContact O-CD1 3.36Å; T595-I1027 WeakPolarHBondContact O-CG1 3.25Å
596	G	85.4	Confident	88.2	Confident	6 Å²	6	45.4 Å²	45.4	6%	0.062	27%	0.266	C	S	.	.	S	Bend	trans	81.4	10.7	-172.1	0	0	0	0	0	114.1	A592 I593 K1081	A592-G596 CarbonylContact O-C 3.58Å; A592-G596 VanDerWaalsContact O-CA 3.29Å; A592-G596 WeakPolarHBondContact O-CA 3.45Å; A592-G596 PolarHBondContact O-N 2.9Å; I593-G596 PolarHBondContact O-N 2.99Å; G596-K1081 WeakPolarHBondContact O-CG 3.5Å
597	Q	86	Confident	88.3	Confident	68 Å²	68	46.9 Å²	46.9	32%	0.318	27%	0.271	S	S	.	.			trans	-117.2	117.8	-176.3	-100.8	-179.9	-25.3	0	0	109.9	A592 T595 E599 N600 I1027	A592-Q597 VanDerWaalsContact CA-O 3.28Å; A592-Q597 WeakPolarHBondContact CA-O 3.41Å; A592-Q597 WeakPolarHBondContact CB-O 3.29Å; A592-Q597 PolarHBondContact O-N 2.83Å; T595-Q597 VanDerWaalsContact C-N 3.32Å; T595-Q597 PolarHBondContact OG1-N 3.07Å; Q597-E599 HydrophobicContact CB-CG 4.09Å; Q597-E599 HydrophobicContact CG-CG 4.4Å; Q597-E599 PolarHBondContact NE2-OE1 3.47Å; Q597-E599 PolarHBondContact O-N 3.25Å; Q597-N600 VanDerWaalsContact CB-ND2 3.35Å; Q597-N600 WeakPolarHBondContact CB-ND2 3.25Å; Q597-N600 PolarHBondContact O-N 3.42Å; Q597-N600 VanDerWaalsContact O-N 3.13Å; Q597-N600 PolarHBondContact OE1-ND2 3.43Å; Q597-N600 VanDerWaalsContact OE1-ND2 3.13Å; Q597-I1027 HydrophobicContact CB-CD1 4.21Å; Q597-I1027 HydrophobicContact CG-CD1 3.54Å
598	A	84	Confident	88.3	Confident	67 Å²	67	47.4 Å²	47.4	55%	0.554	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-61.6	-27.7	-178.7	0	0	0	0	0	113.3	N600 Q601 L1080	A598-N600 PolarHBondContact O-N 2.99Å; A598-Q601 PolarHBondContact O-N 3.21Å; A598-L1080 HydrophobicContact CB-CD1 4Å
599	E	86.3	Confident	88.5	Confident	145 Å²	145	51.1 Å²	51.1	68%	0.678	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-66.5	-22.3	177.8	62.5	-164	154.6	0	0	113.6	Q597 Q601	Q597-E599 HydrophobicContact CB-CG 4.09Å; Q597-E599 HydrophobicContact CG-CG 4.4Å; Q597-E599 PolarHBondContact NE2-OE1 3.47Å; Q597-E599 PolarHBondContact O-N 3.25Å; E599-Q601 PolarHBondContact O-N 3.01Å; E599-Q601 VanDerWaalsContact O-N 3.13Å
600	N	86.8	Confident	88.7	Confident	60 Å²	60	51 Å²	51	32%	0.321	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-81.2	16	178.9	-65	-28.6	0	0	0	112.8	T591 T595 Q597 A598 C602	T591-N600 WeakPolarHBondContact CB-O 3.05Å; T591-N600 PolarHBondContact OG1-O 3.43Å; T595-N600 VanDerWaalsContact CB-ND2 3.32Å; T595-N600 WeakPolarHBondContact CB-ND2 3.09Å; T595-N600 HydrophobicContact CG2-CB 4.48Å; T595-N600 PolarHBondContact OG1-ND2 2.82Å; Q597-N600 VanDerWaalsContact CB-ND2 3.35Å; Q597-N600 WeakPolarHBondContact CB-ND2 3.25Å; Q597-N600 PolarHBondContact O-N 3.42Å; Q597-N600 VanDerWaalsContact O-N 3.13Å; Q597-N600 PolarHBondContact OE1-ND2 3.43Å; Q597-N600 VanDerWaalsContact OE1-ND2 3.13Å; A598-N600 PolarHBondContact O-N 2.99Å; N600-C602 PolarHBondContact O-N 2.91Å
601	Q	85.6	Confident	89.1	Confident	89 Å²	89	50.7 Å²	50.7	42%	0.416	28%	0.283	S	S	.	.			trans	-63.1	129.4	175.7	-172	-178.8	14.6	0	0	110.2	K585 G588 L589 A598 E599	K585-Q601 PolarHBondContact O-NE2 3.42Å; G588-Q601 WeakPolarHBondContact O-CG 3.46Å; L589-Q601 HydrophobicContact CD2-CB 4.46Å; L589-Q601 HydrophobicContact CD2-CG 4.15Å; A598-Q601 PolarHBondContact O-N 3.21Å; E599-Q601 PolarHBondContact O-N 3.01Å; E599-Q601 VanDerWaalsContact O-N 3.13Å
602	C	86.1	Confident	89.4	Confident	55 Å²	55	51.2 Å²	51.2	37%	0.372	29%	0.286	S	S	.	.			trans	-125	150.5	177.3	74.8	0	0	0	0	110.7	G588 T591 N600 I604	G588-C602 CarbonylContact C-O 3.43Å; G588-C602 WeakPolarHBondContact CA-O 3.43Å; G588-C602 PolarHBondContact O-N 2.9Å; G588-C602 VanDerWaalsContact O-N 3.11Å; G588-C602 VanDerWaalsContact O-O 3.13Å; T591-C602 PolarHBondContact OG1-SG 2.76Å; T591-C602 VanDerWaalsContact OG1-SG 3.37Å; N600-C602 PolarHBondContact O-N 2.91Å; C602-I604 PolarHBondContact O-N 2.88Å
603	S	85.9	Confident	89.7	Confident	94 Å²	94	51.3 Å²	51.3	66%	0.657	29%	0.287	S	S	*	.			trans	-71.8	119.6	173.6	-179.4	0	0	0	0	109.9	S605	S603-S605 PolarHBondContact OG-OG 3.27Å; S603-S605 VanDerWaalsContact OG-OG 3.05Å
604	I	87.5	Confident	90	Very high	17 Å²	17	53 Å²	53	9%	0.087	30%	0.295	C	S	.	.			trans	-102.2	15.3	175	-145.3	165.8	0	0	0	112.3	I560 L587 C602 S606 R607 Y608	I560-I604 HydrophobicContact CD1-CD1 4.36Å; I560-I604 HydrophobicContact CD1-CG1 4.3Å; I560-I604 HydrophobicContact CD1-CG2 4.07Å; I560-I604 HydrophobicContact CG1-CD1 4.33Å; L587-I604 HydrophobicContact CB-CG2 3.76Å; C602-I604 PolarHBondContact O-N 2.88Å; I604-S606 PolarHBondContact O-N 2.92Å; I604-R607 VanDerWaalsContact CD1-NE 3.29Å; I604-R607 HydrophobicContact CG1-CB 4.15Å; I604-R607 VanDerWaalsContact CG1-CD 3.45Å; I604-R607 HydrophobicContact CG1-CG 4.19Å; I604-R607 PolarHBondContact O-N 2.89Å; I604-Y608 HydrophobicContact CG2-CD1 4.26Å; I604-Y608 HydrophobicContact CG2-CE1 4.41Å
605	S	86.8	Confident	90.2	Very high	52 Å²	52	49.5 Å²	49.5	36%	0.364	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-14.7	-174.3	66	0	0	0	0	113.7	S603 R609	S603-S605 PolarHBondContact OG-OG 3.27Å; S603-S605 VanDerWaalsContact OG-OG 3.05Å; S605-R609 PolarHBondContact O-NH1 3.09Å
606	S	91.7	Very high	90.2	Very high	80 Å²	80	49.6 Å²	49.6	56%	0.559	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-27.7	171.8	55	0	0	0	0	113.6	I604	I604-S606 PolarHBondContact O-N 2.92Å
607	R	94.1	Very high	90.3	Very high	44 Å²	44	57.1 Å²	57.1	17%	0.166	31%	0.309	C	S	.	.	S	Bend	trans	-93.8	-9.1	-171.4	-71.7	171.5	32.1	95.8	-15.3	114.7	I560 N562 P563 T565 D566 V567 I604	I560-R607 HydrophobicContact CD1-CB 3.5Å; I560-R607 HydrophobicContact CG1-CB 4.2Å; I560-R607 PolarHBondContact O-NH2 2.96Å; N562-R607 PolarHBondContact O-NH2 3.12Å; P563-R607 PolarHBondContact O-NH1 2.64Å; T565-R607 PolarHBondContact O-NH1 3.06Å; T565-R607 PolarHBondContact O-NH2 3.49Å; D566-R607 CarbonylContact C-O 3.58Å; D566-R607 VanDerWaalsContact CA-O 3.25Å; D566-R607 WeakPolarHBondContact CA-O 3.44Å; D566-R607 VanDerWaalsContact CB-O 3.23Å; D566-R607 WeakPolarHBondContact CB-O 3.3Å; D566-R607 WeakPolarHBondContact OD1-CB 3.34Å; D566-R607 WeakPolarHBondContact OD1-CG 3.31Å; D566-R607 IonicContact OD1-CZ 3.66Å; D566-R607 IonicContact OD1-NH1 2.58Å; D566-R607 PolarHBondContact OD1-NH1 3.46Å; V567-R607 PolarHBondContact N-O 3.29Å; I604-R607 VanDerWaalsContact CD1-NE 3.29Å; I604-R607 HydrophobicContact CG1-CB 4.15Å; I604-R607 VanDerWaalsContact CG1-CD 3.45Å; I604-R607 HydrophobicContact CG1-CG 4.19Å; I604-R607 PolarHBondContact O-N 2.89Å
608	Y	95.4	Very high	90.4	Very high	11 Å²	11	62 Å²	62	4%	0.043	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	155.5	176.7	82.6	-86	0	0	0	114.6	I557 I560 V567 N584 L587 I604 I610	I557-Y608 HydrophobicContact CD1-CD2 3.64Å; I557-Y608 HydrophobicContact CD1-CE2 3.91Å; I557-Y608 HydrophobicContact CD1-CG 4.36Å; I557-Y608 HydrophobicContact CG1-CD2 4.35Å; I560-Y608 HydrophobicContact CD1-CD1 4.14Å; I560-Y608 HydrophobicContact CD1-CG 4.37Å; V567-Y608 CarbonylContact O-C 3.51Å; V567-Y608 WeakPolarHBondContact O-CA 3.03Å; V567-Y608 WeakPolarHBondContact O-CB 3.46Å; N584-Y608 PolarHBondContact ND2-OH 3.37Å; N584-Y608 PolarHBondContact OD1-OH 3.21Å; L587-Y608 HydrophobicContact CD1-CD1 3.97Å; L587-Y608 HydrophobicContact CD1-CD2 4.4Å; L587-Y608 HydrophobicContact CD1-CE1 3.93Å; L587-Y608 HydrophobicContact CD1-CE2 4.34Å; L587-Y608 HydrophobicContact CD1-CG 4.2Å; I604-Y608 HydrophobicContact CG2-CD1 4.26Å; I604-Y608 HydrophobicContact CG2-CE1 4.41Å; Y608-I610 HydrophobicContact CD2-CG1 4.15Å; Y608-I610 HydrophobicContact CE2-CD1 4.12Å; Y608-I610 HydrophobicContact CE2-CG1 3.97Å
609	R	95.6	Very high	90.5	Very high	79 Å²	79	62.8 Å²	62.8	30%	0.298	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	132	172.3	-65.2	-70.4	178.1	-91	2.8	110.1	V567 V568 L569 S605 I611 F646	V567-R609 PolarHBondContact O-N 3.06Å; V568-R609 CarbonylContact C-O 3.39Å; V568-R609 WeakPolarHBondContact CA-O 3.47Å; V568-R609 HydrophobicContact CG2-CB 4.41Å; L569-R609 PolarHBondContact N-O 3.06Å; S605-R609 PolarHBondContact O-NH1 3.09Å; R609-I611 HydrophobicContact CB-CD1 4.33Å; R609-I611 HydrophobicContact CB-CG1 4.25Å; R609-F646 HydrophobicContact CG-CD1 4.44Å; R609-F646 HydrophobicContact CG-CD2 3.56Å; R609-F646 HydrophobicContact CG-CE2 3.67Å; R609-F646 HydrophobicContact CG-CG 3.98Å; R609-F646 HydrophobicContact CG-CZ 4.15Å
610	I	94.8	Very high	90	Very high	35 Å²	35	61.6 Å²	61.6	18%	0.179	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	122.1	165.4	-57.3	178.6	0	0	0	107.3	I557 L569 T571 I575 L580 Y608	I557-I610 HydrophobicContact CD1-CD1 3.79Å; I557-I610 HydrophobicContact CD1-CG1 3.82Å; L569-I610 CarbonylContact O-C 3.59Å; L569-I610 WeakPolarHBondContact O-CA 3.16Å; T571-I610 HydrophobicContact CG2-CG2 3.88Å; I575-I610 HydrophobicContact CD1-CD1 3.73Å; I575-I610 HydrophobicContact CD1-CG2 3.76Å; I575-I610 HydrophobicContact CG1-CG2 4.41Å; L580-I610 HydrophobicContact CD1-CD1 4.22Å; Y608-I610 HydrophobicContact CD2-CG1 4.15Å; Y608-I610 HydrophobicContact CE2-CD1 4.12Å; Y608-I610 HydrophobicContact CE2-CG1 3.97Å
611	I	95.7	Very high	89.3	Confident	7 Å²	7	60 Å²	60	4%	0.036	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	125.9	-173	-60.8	-72.2	0	0	0	109.5	V568 L569 V570 T571 R609 A639 H642 I643	V568-I611 HydrophobicContact CG1-CG1 3.97Å; L569-I611 PolarHBondContact O-N 3.23Å; V570-I611 WeakPolarHBondContact CA-O 3.39Å; T571-I611 PolarHBondContact N-O 3.37Å; R609-I611 HydrophobicContact CB-CD1 4.33Å; R609-I611 HydrophobicContact CB-CG1 4.25Å; I611-A639 HydrophobicContact CG2-CB 3.75Å; I611-H642 HydrophobicContact CD1-CB 4.11Å; I611-H642 WeakPolarHBondContact CD1-ND1 3.49Å; I611-I643 HydrophobicContact CG1-CG1 4.07Å; I611-I643 HydrophobicContact CG2-CD1 4.28Å; I611-I643 HydrophobicContact CG2-CG1 4.29Å
612	V	94.7	Very high	88.6	Confident	53 Å²	53	61.4 Å²	61.4	32%	0.321	31%	0.314	S	S	.	.			trans	-104.5	121.3	172.6	-174	0	0	0	0	108.3	P574 E614 I616	P574-V612 HydrophobicContact CB-CG2 4.37Å; V612-E614 PolarHBondContact O-N 2.8Å; V612-I616 HydrophobicContact CG1-CD1 3.78Å
613	P	96.1	Very high	88.2	Confident	1 Å²	1	60.2 Å²	60.2	1%	0.006	31%	0.308	C	S	.	.			trans	-58.9	126.5	173.9	-19.7	28.3	0	0	0	111.8	V570 T571 A615 I616 L629 L632 L633 S636	V570-P613 HydrophobicContact CG1-CG 3.9Å; T571-P613 WeakPolarHBondContact O-CD 3.41Å; P613-A615 PolarHBondContact O-N 3.32Å; P613-A615 VanDerWaalsContact O-N 3.1Å; P613-I616 HydrophobicContact CB-CD1 3.87Å; P613-I616 HydrophobicContact CG-CD1 3.94Å; P613-I616 WeakPolarHBondContact O-CD1 3.44Å; P613-I616 PolarHBondContact O-N 2.91Å; P613-L629 HydrophobicContact CG-CD1 4Å; P613-L632 HydrophobicContact CB-CB 4.22Å; P613-L632 HydrophobicContact CG-CB 4.41Å; P613-L633 HydrophobicContact CG-CB 4.18Å; P613-L633 HydrophobicContact CG-CD1 4.4Å; P613-S636 WeakPolarHBondContact CA-OG 3.34Å; P613-S636 WeakPolarHBondContact CB-OG 3.48Å
614	E	94.8	Very high	87.7	Confident	41 Å²	41	61.3 Å²	61.3	19%	0.192	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-66.4	-16.3	-178.4	69	-89.5	-159.7	0	0	114.2	V612 I616 K617 S636 P637 R638 A639	V612-E614 PolarHBondContact O-N 2.8Å; E614-I616 PolarHBondContact O-N 2.72Å; E614-K617 PolarHBondContact O-N 2.86Å; E614-S636 VanDerWaalsContact CD-CA 3.47Å; E614-S636 PolarHBondContact N-OG 3.47Å; E614-S636 WeakPolarHBondContact OE1-CA 3.42Å; E614-S636 VanDerWaalsContact OE2-CB 3.31Å; E614-S636 WeakPolarHBondContact OE2-CB 3.34Å; E614-P637 WeakPolarHBondContact OE1-CD 2.82Å; E614-R638 WeakPolarHBondContact OE1-CA 3.17Å; E614-R638 VanDerWaalsContact OE1-CB 3.24Å; E614-R638 WeakPolarHBondContact OE1-CB 3.21Å; E614-R638 WeakPolarHBondContact OE1-CG 3.48Å; E614-R638 PolarHBondContact OE1-N 2.92Å; E614-A639 WeakPolarHBondContact OE2-CB 3.22Å; E614-A639 PolarHBondContact OE2-N 3.44Å
615	A	93.6	Very high	87.4	Confident	3 Å²	3	63.5 Å²	63.5	3%	0.025	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-65.8	-20.1	179	0	0	0	0	0	113.7	P613 K617 Y618 F619 L632 S636	P613-A615 PolarHBondContact O-N 3.32Å; P613-A615 VanDerWaalsContact O-N 3.1Å; A615-K617 PolarHBondContact O-N 3.44Å; A615-K617 VanDerWaalsContact O-N 3.1Å; A615-Y618 PolarHBondContact O-N 2.98Å; A615-F619 HydrophobicContact CB-CD2 4.14Å; A615-F619 HydrophobicContact CB-CE2 4.5Å; A615-F619 WeakPolarHBondContact O-CD2 3.42Å; A615-F619 PolarHBondContact O-N 3.37Å; A615-F619 VanDerWaalsContact O-N 3.13Å; A615-L632 WeakPolarHBondContact CB-O 3.5Å; A615-S636 WeakPolarHBondContact CB-OG 3.36Å; A615-S636 PolarHBondContact N-OG 3.14Å
616	I	88.4	Confident	87.4	Confident	35 Å²	35	61 Å²	61	18%	0.179	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-55.7	-28.6	177.2	-75.5	138.7	0	0	0	112.3	R572 V612 P613 E614 Y618 F619 L632	R572-I616 HydrophobicContact CG-CG1 4.46Å; R572-I616 WeakPolarHBondContact O-CD1 3.16Å; R572-I616 WeakPolarHBondContact O-CG1 3.39Å; V612-I616 HydrophobicContact CG1-CD1 3.78Å; P613-I616 HydrophobicContact CB-CD1 3.87Å; P613-I616 HydrophobicContact CG-CD1 3.94Å; P613-I616 WeakPolarHBondContact O-CD1 3.44Å; P613-I616 PolarHBondContact O-N 2.91Å; E614-I616 PolarHBondContact O-N 2.72Å; I616-Y618 PolarHBondContact O-N 3.5Å; I616-F619 CarbonylContact O-C 3.18Å; I616-F619 PolarHBondContact O-N 3.23Å; I616-L632 HydrophobicContact CD1-CD1 4.41Å; I616-L632 HydrophobicContact CG1-CD1 3.8Å; I616-L632 HydrophobicContact CG1-CD2 4.23Å; I616-L632 HydrophobicContact CG1-CG 4.4Å
617	K	86.4	Confident	87.4	Confident	164 Å²	164	59.5 Å²	59.5	71%	0.713	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-63.7	-19	175.5	-61.7	-174.2	179.3	-169.1	0	114.2	E614 A615	E614-K617 PolarHBondContact O-N 2.86Å; A615-K617 PolarHBondContact O-N 3.44Å; A615-K617 VanDerWaalsContact O-N 3.1Å
618	Y	88.4	Confident	87.4	Confident	169 Å²	169	57.4 Å²	57.4	66%	0.663	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.6	-20.7	-178.5	-48.4	-71.4	0	0	0	112.2	A615 I616	A615-Y618 PolarHBondContact O-N 2.98Å; I616-Y618 PolarHBondContact O-N 3.5Å
619	F	87	Confident	87.4	Confident	85 Å²	85	56.9 Å²	56.9	37%	0.373	29%	0.288	S	S	.	.	S	Bend	trans	-128.3	90.7	-175.7	-57.3	-72.2	0	0	0	110.1	A615 I616 M627 L632	A615-F619 HydrophobicContact CB-CD2 4.14Å; A615-F619 HydrophobicContact CB-CE2 4.5Å; A615-F619 WeakPolarHBondContact O-CD2 3.42Å; A615-F619 PolarHBondContact O-N 3.37Å; A615-F619 VanDerWaalsContact O-N 3.13Å; I616-F619 CarbonylContact O-C 3.18Å; I616-F619 PolarHBondContact O-N 3.23Å; F619-M627 HydrophobicContact CB-SD 4.32Å; F619-M627 HydrophobicContact CD1-CE 3.62Å; F619-M627 HydrophobicContact CD1-SD 4.07Å; F619-M627 HydrophobicContact CD2-CE 4.38Å; F619-M627 HydrophobicContact CD2-SD 4.1Å; F619-M627 HydrophobicContact CE1-CE 3.53Å; F619-M627 HydrophobicContact CE1-SD 4.42Å; F619-M627 HydrophobicContact CE2-CE 4.3Å; F619-M627 HydrophobicContact CE2-SD 4.44Å; F619-M627 HydrophobicContact CG-CE 4.06Å; F619-M627 HydrophobicContact CG-SD 3.9Å; F619-M627 HydrophobicContact CZ-CE 3.89Å; F619-L632 HydrophobicContact CB-CD2 3.69Å; F619-L632 HydrophobicContact CD2-CD2 4.38Å; F619-L632 HydrophobicContact CG-CD2 4.43Å
620	H	75.6	Confident	87.4	Confident	120 Å²	120	53.1 Å²	53.1	56%	0.556	27%	0.273	S	S	*	.			trans	-72.5	149.7	-178.3	-38.9	93	0	0	0	111.7	N622 A623	H620-N622 PolarHBondContact O-N 3.02Å; H620-A623 WeakPolarHBondContact O-CB 2.99Å; H620-A623 PolarHBondContact O-N 3.41Å
621	S	71.8	Confident	87.4	Confident	25 Å²	25	51.9 Å²	51.9	18%	0.175	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-30	174.7	36.8	0	0	0	0	113.1	E547 A623 P626	E547-S621 PolarHBondContact OE2-OG 3.22Å; S621-A623 VanDerWaalsContact C-N 3.26Å; S621-A623 PolarHBondContact O-N 3.5Å; S621-P626 WeakPolarHBondContact O-CB 3.46Å
622	N	71	Confident	87.4	Confident	119 Å²	119	51.7 Å²	51.7	64%	0.636	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	9.1	-179.2	-57.5	0.2	0	0	0	112.4	H620	H620-N622 PolarHBondContact O-N 3.02Å
623	A	77	Confident	87.5	Confident	30 Å²	30	49.2 Å²	49.2	25%	0.248	25%	0.252	C	S	.	.	S	Bend	trans	-64	151.4	174	0	0	0	0	0	110.5	H620 S621 S625 P626	H620-A623 WeakPolarHBondContact O-CB 2.99Å; H620-A623 PolarHBondContact O-N 3.41Å; S621-A623 VanDerWaalsContact C-N 3.26Å; S621-A623 PolarHBondContact O-N 3.5Å; A623-S625 PolarHBondContact O-N 3.07Å; A623-P626 WeakPolarHBondContact O-CD 3.46Å
624	P	75	Confident	87.5	Confident	118 Å²	118	51.2 Å²	51.2	77%	0.766	26%	0.26	S	S	*	.	S	Bend	trans	-62	-15.6	178.3	24.7	-34.9	0	0	0	113.5	Q538	Q538-P624 VanDerWaalsContact CG-O 3.23Å; Q538-P624 WeakPolarHBondContact CG-O 3.4Å; Q538-P624 PolarHBondContact NE2-O 2.95Å
625	S	82.1	Confident	87.6	Confident	62 Å²	62	54.9 Å²	54.9	43%	0.434	27%	0.273	S	S	.	.	S	Bend	trans	-135.8	79.1	173.4	47.7	0	0	0	0	109.9	E534 A623 M627	E534-S625 WeakPolarHBondContact OE1-CB 3.08Å; A623-S625 PolarHBondContact O-N 3.07Å; S625-M627 PolarHBondContact O-N 2.87Å
626	P	87.2	Confident	87.8	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-69.4	133.2	-173.6	26.1	-29.3	0	0	0	111.1	R537 L546 S621 A623	R537-P626 HydrophobicContact CB-CG 3.94Å; R537-P626 PolarHBondContact NE-O 2.96Å; R537-P626 PolarHBondContact NH2-O 3.22Å; R537-P626 WeakPolarHBondContact O-CG 3.25Å; L546-P626 HydrophobicContact CD2-CB 3.69Å; L546-P626 HydrophobicContact CD2-CG 3.91Å; S621-P626 WeakPolarHBondContact O-CB 3.46Å; A623-P626 WeakPolarHBondContact O-CD 3.46Å
627	M	91.7	Very high	88.2	Confident	49 Å²	49	57.5 Å²	57.5	24%	0.241	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-76	141.7	174.7	-71.5	-167.8	-178.7	0	0	110.7	R572 F619 S625 L632 Y635	R572-M627 PolarHBondContact NH2-O 3.19Å; F619-M627 HydrophobicContact CB-SD 4.32Å; F619-M627 HydrophobicContact CD1-CE 3.62Å; F619-M627 HydrophobicContact CD1-SD 4.07Å; F619-M627 HydrophobicContact CD2-CE 4.38Å; F619-M627 HydrophobicContact CD2-SD 4.1Å; F619-M627 HydrophobicContact CE1-CE 3.53Å; F619-M627 HydrophobicContact CE1-SD 4.42Å; F619-M627 HydrophobicContact CE2-CE 4.3Å; F619-M627 HydrophobicContact CE2-SD 4.44Å; F619-M627 HydrophobicContact CG-CE 4.06Å; F619-M627 HydrophobicContact CG-SD 3.9Å; F619-M627 HydrophobicContact CZ-CE 3.89Å; S625-M627 PolarHBondContact O-N 2.87Å; M627-L632 HydrophobicContact CB-CD2 4.01Å; M627-L632 HydrophobicContact CB-CG 4Å; M627-L632 HydrophobicContact SD-CD2 4.36Å; M627-Y635 HydrophobicContact CE-CD2 4.27Å; M627-Y635 HydrophobicContact CE-CE2 4.04Å; M627-Y635 HydrophobicContact SD-CD2 3.89Å; M627-Y635 HydrophobicContact SD-CE2 4.02Å
628	C	93	Very high	88.7	Confident	0 Å²	0	59 Å²	59	0%	0	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-68.6	157	167.7	67.2	0	0	0	0	110.5	A630 S631 L632	C628-A630 PolarHBondContact O-N 3.15Å; C628-S631 WeakPolarHBondContact O-CA 3.49Å; C628-S631 WeakPolarHBondContact O-CB 3.45Å; C628-S631 PolarHBondContact O-N 3.42Å; C628-S631 PolarHBondContact SG-OG 2.91Å; C628-L632 PolarHBondContact O-N 3.11Å
629	L	94.7	Very high	89.2	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-58.6	-34.2	-178.4	-175.1	60.7	0	0	0	113.2	L527 P528 S529 V570 R572 P613 S631 L632 L633	L527-L629 HydrophobicContact CD1-CD2 4.03Å; L527-L629 HydrophobicContact CD1-CG 3.9Å; P528-L629 HydrophobicContact CG-CD2 4.28Å; S529-L629 PolarHBondContact OG-N 2.89Å; V570-L629 HydrophobicContact CG1-CD1 4.16Å; V570-L629 HydrophobicContact CG1-CD2 4.18Å; V570-L629 HydrophobicContact CG1-CG 4.13Å; R572-L629 HydrophobicContact CB-CD1 4.07Å; P613-L629 HydrophobicContact CG-CD1 4Å; L629-S631 VanDerWaalsContact C-N 3.34Å; L629-S631 PolarHBondContact O-N 3.48Å; L629-L632 HydrophobicContact CD1-CD1 4.43Å; L629-L632 PolarHBondContact O-N 2.85Å; L629-L633 WeakPolarHBondContact O-CB 3.41Å; L629-L633 PolarHBondContact O-N 3.48Å
630	A	96.1	Very high	89.7	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-61.1	-40.3	173	0	0	0	0	0	112.8	L527 S529 C628 L633 K634 D663 I664 V667	L527-A630 HydrophobicContact CD2-CB 3.97Å; S529-A630 PolarHBondContact OG-N 3.13Å; C628-A630 PolarHBondContact O-N 3.15Å; A630-L633 PolarHBondContact O-N 2.58Å; A630-K634 WeakPolarHBondContact O-CB 3.24Å; A630-K634 PolarHBondContact O-N 3.26Å; A630-D663 HydrophobicContact CB-CB 4.33Å; A630-I664 HydrophobicContact CB-CG1 3.82Å; A630-V667 WeakPolarHBondContact O-CG2 3.12Å
631	S	95.5	Very high	90.8	Very high	8 Å²	8	48.2 Å²	48.2	6%	0.056	25%	0.25	C	C	.	.	H	α-helix	trans	-67.8	-41.1	176.1	-61	0	0	0	0	111.3	C628 L629 L633 K634 Y635 H661 D663	C628-S631 WeakPolarHBondContact O-CA 3.49Å; C628-S631 WeakPolarHBondContact O-CB 3.45Å; C628-S631 PolarHBondContact O-N 3.42Å; C628-S631 PolarHBondContact SG-OG 2.91Å; L629-S631 VanDerWaalsContact C-N 3.34Å; L629-S631 PolarHBondContact O-N 3.48Å; S631-L633 VanDerWaalsContact C-N 3.32Å; S631-L633 PolarHBondContact O-N 2.84Å; S631-K634 WeakPolarHBondContact O-CB 3.31Å; S631-K634 PolarHBondContact O-N 3.21Å; S631-Y635 WeakPolarHBondContact O-CD2 3.44Å; S631-Y635 PolarHBondContact O-N 2.96Å; S631-Y635 VanDerWaalsContact O-N 3.11Å; S631-H661 PolarHBondContact OG-CE1 3.17Å; S631-H661 VanDerWaalsContact OG-CE1 3.32Å; S631-D663 PolarHBondContact OG-OD2 2.84Å; S631-D663 VanDerWaalsContact OG-OD2 3.08Å
632	L	95.6	Very high	92	Very high	4 Å²	4	51 Å²	51	2%	0.021	26%	0.26	C	S	.	.	H	α-helix	trans	-60.1	-43.8	175	-67.4	168.8	0	0	0	111.1	R572 P613 A615 I616 F619 M627 C628 L629 Y635 S636	R572-L632 HydrophobicContact CG-CD1 4.35Å; P613-L632 HydrophobicContact CB-CB 4.22Å; P613-L632 HydrophobicContact CG-CB 4.41Å; A615-L632 WeakPolarHBondContact CB-O 3.5Å; I616-L632 HydrophobicContact CD1-CD1 4.41Å; I616-L632 HydrophobicContact CG1-CD1 3.8Å; I616-L632 HydrophobicContact CG1-CD2 4.23Å; I616-L632 HydrophobicContact CG1-CG 4.4Å; F619-L632 HydrophobicContact CB-CD2 3.69Å; F619-L632 HydrophobicContact CD2-CD2 4.38Å; F619-L632 HydrophobicContact CG-CD2 4.43Å; M627-L632 HydrophobicContact CB-CD2 4.01Å; M627-L632 HydrophobicContact CB-CG 4Å; M627-L632 HydrophobicContact SD-CD2 4.36Å; C628-L632 PolarHBondContact O-N 3.11Å; L629-L632 HydrophobicContact CD1-CD1 4.43Å; L629-L632 PolarHBondContact O-N 2.85Å; L632-Y635 PolarHBondContact O-N 3.22Å; L632-S636 WeakPolarHBondContact O-CB 3.42Å; L632-S636 PolarHBondContact O-N 2.92Å; L632-S636 PolarHBondContact O-OG 3.46Å
633	L	97.3	Very high	93.3	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-66	-40.7	176.5	-177.5	55.1	0	0	0	112.5	L527 V570 P613 L629 A630 S631 Y635 S636 A639 L640 I643 V667	L527-L633 HydrophobicContact CD1-CD2 4.05Å; V570-L633 HydrophobicContact CG1-CD2 4.22Å; V570-L633 HydrophobicContact CG2-CD2 4.05Å; P613-L633 HydrophobicContact CG-CB 4.18Å; P613-L633 HydrophobicContact CG-CD1 4.4Å; L629-L633 WeakPolarHBondContact O-CB 3.41Å; L629-L633 PolarHBondContact O-N 3.48Å; A630-L633 PolarHBondContact O-N 2.58Å; S631-L633 VanDerWaalsContact C-N 3.32Å; S631-L633 PolarHBondContact O-N 2.84Å; L633-Y635 PolarHBondContact O-N 2.79Å; L633-S636 WeakPolarHBondContact O-CB 3.45Å; L633-S636 PolarHBondContact O-N 3.47Å; L633-A639 HydrophobicContact CD1-CB 3.82Å; L633-L640 HydrophobicContact CD1-CD2 3.94Å; L633-L640 HydrophobicContact CD1-CG 4.07Å; L633-L640 HydrophobicContact CD2-CD2 4.46Å; L633-L640 HydrophobicContact CG-CD2 3.88Å; L633-L640 HydrophobicContact CG-CG 4.38Å; L633-L640 WeakPolarHBondContact O-CD1 3.31Å; L633-I643 HydrophobicContact CD1-CD1 4.03Å; L633-I643 HydrophobicContact CD2-CD1 4.09Å; L633-V667 HydrophobicContact CB-CG2 4.28Å; L633-V667 HydrophobicContact CD2-CG1 3.61Å; L633-V667 HydrophobicContact CD2-CG2 4.47Å; L633-V667 HydrophobicContact CG-CG1 4.04Å; L633-V667 HydrophobicContact CG-CG2 4.2Å
634	K	96.4	Very high	94.3	Very high	44 Å²	44	50 Å²	50	19%	0.191	24%	0.241	C	C	.	.	H	α-helix	trans	-55	-40.2	173.4	166.7	178.4	177.4	-170.5	0	112.5	A630 S631 S636 D663 Y666 V667	A630-K634 WeakPolarHBondContact O-CB 3.24Å; A630-K634 PolarHBondContact O-N 3.26Å; S631-K634 WeakPolarHBondContact O-CB 3.31Å; S631-K634 PolarHBondContact O-N 3.21Å; K634-S636 VanDerWaalsContact C-N 3.27Å; K634-S636 PolarHBondContact O-N 3.11Å; K634-D663 HydrophobicContact CD-CB 4.07Å; K634-D663 WeakPolarHBondContact CD-OD1 3.42Å; K634-D663 WeakPolarHBondContact CD-OD2 3.47Å; K634-D663 VanDerWaalsContact NZ-CG 3.29Å; K634-D663 IonicContact NZ-OD1 2.66Å; K634-D663 PolarHBondContact NZ-OD1 3.42Å; K634-D663 IonicContact NZ-OD2 3.89Å; K634-D663 PolarHBondContact NZ-OD2 3.18Å; K634-Y666 HydrophobicContact CB-CD1 4.23Å; K634-Y666 HydrophobicContact CD-CD1 3.68Å; K634-Y666 HydrophobicContact CD-CE1 4.07Å; K634-Y666 HydrophobicContact CD-CG 4.17Å; K634-Y666 HydrophobicContact CG-CD1 3.59Å; K634-Y666 HydrophobicContact CG-CE1 3.69Å; K634-V667 HydrophobicContact CB-CG2 3.95Å
635	Y	96	Very high	95.4	Very high	118 Å²	118	52.6 Å²	52.6	46%	0.463	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	12.5	178	-60.6	-57.7	0	0	0	114	M627 S631 L632 L633 P637	M627-Y635 HydrophobicContact CE-CD2 4.27Å; M627-Y635 HydrophobicContact CE-CE2 4.04Å; M627-Y635 HydrophobicContact SD-CD2 3.89Å; M627-Y635 HydrophobicContact SD-CE2 4.02Å; S631-Y635 WeakPolarHBondContact O-CD2 3.44Å; S631-Y635 PolarHBondContact O-N 2.96Å; S631-Y635 VanDerWaalsContact O-N 3.11Å; L632-Y635 PolarHBondContact O-N 3.22Å; L633-Y635 PolarHBondContact O-N 2.79Å; Y635-P637 VanDerWaalsContact O-CD 3.26Å; Y635-P637 WeakPolarHBondContact O-CD 3.4Å
636	S	97.5	Very high	96.1	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	22%	0.22	C	C	.	.			trans	-118	76.7	-177.1	-66.4	0	0	0	0	111.8	P613 E614 A615 L632 L633 K634 R638 A639 L640	P613-S636 WeakPolarHBondContact CA-OG 3.34Å; P613-S636 WeakPolarHBondContact CB-OG 3.48Å; E614-S636 VanDerWaalsContact CD-CA 3.47Å; E614-S636 PolarHBondContact N-OG 3.47Å; E614-S636 WeakPolarHBondContact OE1-CA 3.42Å; E614-S636 VanDerWaalsContact OE2-CB 3.31Å; E614-S636 WeakPolarHBondContact OE2-CB 3.34Å; A615-S636 WeakPolarHBondContact CB-OG 3.36Å; A615-S636 PolarHBondContact N-OG 3.14Å; L632-S636 WeakPolarHBondContact O-CB 3.42Å; L632-S636 PolarHBondContact O-N 2.92Å; L632-S636 PolarHBondContact O-OG 3.46Å; L633-S636 WeakPolarHBondContact O-CB 3.45Å; L633-S636 PolarHBondContact O-N 3.47Å; K634-S636 VanDerWaalsContact C-N 3.27Å; K634-S636 PolarHBondContact O-N 3.11Å; S636-R638 VanDerWaalsContact C-N 3.29Å; S636-R638 PolarHBondContact O-N 3.13Å; S636-A639 PolarHBondContact O-N 3.36Å; S636-L640 PolarHBondContact O-N 2.93Å
637	P	97.2	Very high	96.6	Very high	93 Å²	93	51.2 Å²	51.2	60%	0.604	22%	0.222	S	C	*	.	H	α-helix	trans	-61.7	-29.7	-175.5	24.9	-35.5	0	0	0	114.5	E614 Y635 K641	E614-P637 WeakPolarHBondContact OE1-CD 2.82Å; Y635-P637 VanDerWaalsContact O-CD 3.26Å; Y635-P637 WeakPolarHBondContact O-CD 3.4Å; P637-K641 WeakPolarHBondContact O-CB 3.34Å; P637-K641 PolarHBondContact O-N 3.27Å
638	R	97.7	Very high	96.7	Very high	195 Å²	195	52 Å²	52	74%	0.736	24%	0.237	S	C	*	.	H	α-helix	trans	-73.1	-44.9	177	-57.5	176.9	176.3	175.5	-0.4	110.5	E614 S636 K641 H642	E614-R638 WeakPolarHBondContact OE1-CA 3.17Å; E614-R638 VanDerWaalsContact OE1-CB 3.24Å; E614-R638 WeakPolarHBondContact OE1-CB 3.21Å; E614-R638 WeakPolarHBondContact OE1-CG 3.48Å; E614-R638 PolarHBondContact OE1-N 2.92Å; S636-R638 VanDerWaalsContact C-N 3.29Å; S636-R638 PolarHBondContact O-N 3.13Å; R638-K641 PolarHBondContact O-N 2.68Å; R638-H642 WeakPolarHBondContact O-CB 3.23Å; R638-H642 PolarHBondContact O-N 2.86Å
639	A	97.9	Very high	96.7	Very high	5 Å²	5	56.3 Å²	56.3	4%	0.041	28%	0.281	C	S	.	.	H	α-helix	trans	-57.9	-49.6	172.4	0	0	0	0	0	111.2	I611 E614 L633 S636 K641 H642 I643	I611-A639 HydrophobicContact CG2-CB 3.75Å; E614-A639 WeakPolarHBondContact OE2-CB 3.22Å; E614-A639 PolarHBondContact OE2-N 3.44Å; L633-A639 HydrophobicContact CD1-CB 3.82Å; S636-A639 PolarHBondContact O-N 3.36Å; A639-K641 VanDerWaalsContact C-N 3.33Å; A639-K641 PolarHBondContact O-N 2.79Å; A639-H642 WeakPolarHBondContact O-CB 3.19Å; A639-H642 PolarHBondContact O-N 3.46Å; A639-H642 VanDerWaalsContact O-N 3.08Å; A639-I643 WeakPolarHBondContact O-CG1 3.13Å; A639-I643 PolarHBondContact O-N 3.25Å
640	L	98.3	Very high	96.7	Very high	22 Å²	22	60.4 Å²	60.4	12%	0.115	30%	0.297	C	S	.	.	H	α-helix	trans	-58	-43	175.5	-73.8	172.5	0	0	0	112.5	L633 S636 H642 I643 R644 V667 L671	L633-L640 HydrophobicContact CD1-CD2 3.94Å; L633-L640 HydrophobicContact CD1-CG 4.07Å; L633-L640 HydrophobicContact CD2-CD2 4.46Å; L633-L640 HydrophobicContact CG-CD2 3.88Å; L633-L640 HydrophobicContact CG-CG 4.38Å; L633-L640 WeakPolarHBondContact O-CD1 3.31Å; S636-L640 PolarHBondContact O-N 2.93Å; L640-H642 VanDerWaalsContact C-N 3.31Å; L640-H642 PolarHBondContact O-N 3.28Å; L640-I643 PolarHBondContact O-N 3.42Å; L640-R644 VanDerWaalsContact O-CB 3.3Å; L640-R644 WeakPolarHBondContact O-CB 3.32Å; L640-R644 PolarHBondContact O-N 3.2Å; L640-V667 HydrophobicContact CD2-CG1 4.03Å; L640-L671 HydrophobicContact CD2-CD2 4.01Å; L640-L671 HydrophobicContact CD2-CG 4.12Å
641	K	97.8	Very high	96.7	Very high	120 Å²	120	63.6 Å²	63.6	52%	0.522	32%	0.318	S	S	.	.	H	α-helix	trans	-63.7	-36.9	176.2	-173.4	177.3	-173.5	179.2	0	112.1	P637 R638 A639 R645	P637-K641 WeakPolarHBondContact O-CB 3.34Å; P637-K641 PolarHBondContact O-N 3.27Å; R638-K641 PolarHBondContact O-N 2.68Å; A639-K641 VanDerWaalsContact C-N 3.33Å; A639-K641 PolarHBondContact O-N 2.79Å; K641-R645 VanDerWaalsContact CE-NH2 3.35Å; K641-R645 WeakPolarHBondContact O-CB 3.42Å; K641-R645 VanDerWaalsContact O-CG 3.27Å; K641-R645 WeakPolarHBondContact O-CG 3.43Å; K641-R645 PolarHBondContact O-N 3.4Å
642	H	97.9	Very high	96.8	Very high	85 Å²	85	63.7 Å²	63.7	39%	0.394	32%	0.319	S	S	.	.	H	α-helix	trans	-65.4	-50.9	175.8	-167.5	167.8	0	0	0	110.3	I611 R638 A639 L640 R644 R645 F646	I611-H642 HydrophobicContact CD1-CB 4.11Å; I611-H642 WeakPolarHBondContact CD1-ND1 3.49Å; R638-H642 WeakPolarHBondContact O-CB 3.23Å; R638-H642 PolarHBondContact O-N 2.86Å; A639-H642 WeakPolarHBondContact O-CB 3.19Å; A639-H642 PolarHBondContact O-N 3.46Å; A639-H642 VanDerWaalsContact O-N 3.08Å; L640-H642 VanDerWaalsContact C-N 3.31Å; L640-H642 PolarHBondContact O-N 3.28Å; H642-R644 VanDerWaalsContact C-N 3.33Å; H642-R644 PolarHBondContact O-N 2.97Å; H642-R645 PolarHBondContact O-N 3.42Å; H642-F646 PolarHBondContact O-N 3.44Å
643	I	98.4	Very high	96.9	Very high	1 Å²	1	63.6 Å²	63.6	1%	0.005	32%	0.318	C	S	.	.	H	α-helix	trans	-57.7	-48.1	177.4	-59.9	172.8	0	0	0	110.1	V525 V568 V570 I611 L633 A639 L640 R645 F646 I647 L671	V525-I643 HydrophobicContact CG1-CG2 4.4Å; V525-I643 HydrophobicContact CG2-CG2 4.2Å; V568-I643 HydrophobicContact CG1-CD1 4.43Å; V568-I643 HydrophobicContact CG1-CG1 4.08Å; V568-I643 HydrophobicContact CG1-CG2 4.47Å; V570-I643 HydrophobicContact CG2-CD1 4.04Å; I611-I643 HydrophobicContact CG1-CG1 4.07Å; I611-I643 HydrophobicContact CG2-CD1 4.28Å; I611-I643 HydrophobicContact CG2-CG1 4.29Å; L633-I643 HydrophobicContact CD1-CD1 4.03Å; L633-I643 HydrophobicContact CD2-CD1 4.09Å; A639-I643 WeakPolarHBondContact O-CG1 3.13Å; A639-I643 PolarHBondContact O-N 3.25Å; L640-I643 PolarHBondContact O-N 3.42Å; I643-R645 VanDerWaalsContact C-N 3.31Å; I643-R645 PolarHBondContact O-N 3.03Å; I643-F646 WeakPolarHBondContact O-CB 3.43Å; I643-F646 PolarHBondContact O-N 2.83Å; I643-I647 HydrophobicContact CG2-CG2 4.44Å; I643-I647 WeakPolarHBondContact O-CG1 3.42Å; I643-I647 PolarHBondContact O-N 3.48Å; I643-L671 HydrophobicContact CB-CD2 3.9Å; I643-L671 HydrophobicContact CG2-CD1 3.81Å; I643-L671 HydrophobicContact CG2-CD2 3.75Å; I643-L671 HydrophobicContact CG2-CG 4.42Å
644	R	97.8	Very high	96.9	Very high	125 Å²	125	63.6 Å²	63.6	47%	0.472	32%	0.318	S	S	.	.	H	α-helix	trans	-56.9	-42.2	178.3	-170.2	-174.1	-75.8	-170.4	-7.2	112.5	L640 H642 I647 A648 C670 L671	L640-R644 VanDerWaalsContact O-CB 3.3Å; L640-R644 WeakPolarHBondContact O-CB 3.32Å; L640-R644 PolarHBondContact O-N 3.2Å; H642-R644 VanDerWaalsContact C-N 3.33Å; H642-R644 PolarHBondContact O-N 2.97Å; R644-I647 PolarHBondContact O-N 2.97Å; R644-A648 WeakPolarHBondContact O-CB 3.34Å; R644-A648 PolarHBondContact O-N 2.84Å; R644-C670 PolarHBondContact NE-O 2.98Å; R644-C670 PolarHBondContact NH2-O 2.99Å; R644-L671 HydrophobicContact CB-CD2 4.32Å
645	R	96.8	Very high	97	Very high	173 Å²	173	61.5 Å²	61.5	65%	0.653	31%	0.309	S	S	*	.	H	α-helix	trans	-65.3	-39.4	176.2	-77.6	170.1	171.6	-177.9	-8.4	112.2	K641 H642 I643	K641-R645 VanDerWaalsContact CE-NH2 3.35Å; K641-R645 WeakPolarHBondContact O-CB 3.42Å; K641-R645 VanDerWaalsContact O-CG 3.27Å; K641-R645 WeakPolarHBondContact O-CG 3.43Å; K641-R645 PolarHBondContact O-N 3.4Å; H642-R645 PolarHBondContact O-N 3.42Å; I643-R645 VanDerWaalsContact C-N 3.31Å; I643-R645 PolarHBondContact O-N 3.03Å
646	F	97.4	Very high	97	Very high	23 Å²	23	56.2 Å²	56.2	10%	0.101	29%	0.289	C	S	.	.	H	α-helix	trans	-65.1	-46.2	177.5	-171.8	-102.6	0	0	0	110.5	V523 D566 V568 R609 H642 I643 A648 R650	V523-F646 HydrophobicContact CG1-CD1 4.03Å; V523-F646 HydrophobicContact CG1-CE1 3.8Å; V523-F646 HydrophobicContact CG2-CE1 4.42Å; D566-F646 HydrophobicContact CB-CE1 4.27Å; D566-F646 HydrophobicContact CB-CZ 4.3Å; V568-F646 HydrophobicContact CG2-CD1 3.32Å; V568-F646 HydrophobicContact CG2-CE1 3.6Å; V568-F646 HydrophobicContact CG2-CG 4.25Å; R609-F646 HydrophobicContact CG-CD1 4.44Å; R609-F646 HydrophobicContact CG-CD2 3.56Å; R609-F646 HydrophobicContact CG-CE2 3.67Å; R609-F646 HydrophobicContact CG-CG 3.98Å; R609-F646 HydrophobicContact CG-CZ 4.15Å; H642-F646 PolarHBondContact O-N 3.44Å; I643-F646 WeakPolarHBondContact O-CB 3.43Å; I643-F646 PolarHBondContact O-N 2.83Å; F646-A648 VanDerWaalsContact C-N 3.32Å; F646-A648 PolarHBondContact O-N 3.34Å; F646-R650 VanDerWaalsContact CD1-NH2 3.27Å; F646-R650 VanDerWaalsContact CZ-NH2 3.32Å; F646-R650 VanDerWaalsContact O-CZ 3.24Å; F646-R650 PolarHBondContact O-NE 3.35Å; F646-R650 VanDerWaalsContact O-NE 3.08Å; F646-R650 PolarHBondContact O-NH2 2.96Å
647	I	97.3	Very high	96.7	Very high	10 Å²	10	56.6 Å²	56.6	5%	0.051	29%	0.293	C	S	.	.	H	α-helix	trans	-81.6	-4.9	-178	68.9	-177.2	0	0	0	114.5	V523 V525 I643 R644 G649 R650 A652 L671 I673	V523-I647 HydrophobicContact CB-CG2 4.07Å; V523-I647 HydrophobicContact CG1-CG2 3.87Å; V523-I647 HydrophobicContact CG2-CG2 4.32Å; V525-I647 HydrophobicContact CG2-CG2 4.25Å; I643-I647 HydrophobicContact CG2-CG2 4.44Å; I643-I647 WeakPolarHBondContact O-CG1 3.42Å; I643-I647 PolarHBondContact O-N 3.48Å; R644-I647 PolarHBondContact O-N 2.97Å; I647-G649 PolarHBondContact O-N 3.13Å; I647-R650 PolarHBondContact O-N 3.31Å; I647-A652 HydrophobicContact CB-CB 4.04Å; I647-A652 HydrophobicContact CG2-CB 4.02Å; I647-L671 HydrophobicContact CD1-CB 4.21Å; I647-I673 HydrophobicContact CD1-CD1 4.43Å; I647-I673 HydrophobicContact CD1-CG2 3.89Å
648	A	95	Very high	96.1	Very high	66 Å²	66	53.3 Å²	53.3	55%	0.545	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	126.4	-173.3	0	0	0	0	0	112.1	R644 F646 R650	R644-A648 WeakPolarHBondContact O-CB 3.34Å; R644-A648 PolarHBondContact O-N 2.84Å; F646-A648 VanDerWaalsContact C-N 3.32Å; F646-A648 PolarHBondContact O-N 3.34Å; A648-R650 PolarHBondContact O-N 3.49Å
649	G	92.6	Very high	95.2	Very high	91 Å²	91	44.1 Å²	44.1	94%	0.938	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.9	4.9	-179.5	0	0	0	0	0	115.1	I647	I647-G649 PolarHBondContact O-N 3.13Å
650	R	94.9	Very high	94.5	Very high	85 Å²	85	46.3 Å²	46.3	32%	0.321	25%	0.245	S	C	.	.	S	Bend	trans	-117.9	140	-177.4	-57.1	-168.9	-71.5	165.7	1.3	110.8	V523 D566 F646 I647 A648 A652	V523-R650 HydrophobicContact CG2-CB 4.2Å; D566-R650 IonicContact OD2-CZ 3.05Å; D566-R650 IonicContact OD2-NH1 3.46Å; D566-R650 PolarHBondContact OD2-NH1 3.06Å; D566-R650 IonicContact OD2-NH2 2.74Å; F646-R650 VanDerWaalsContact CD1-NH2 3.27Å; F646-R650 VanDerWaalsContact CZ-NH2 3.32Å; F646-R650 VanDerWaalsContact O-CZ 3.24Å; F646-R650 PolarHBondContact O-NE 3.35Å; F646-R650 VanDerWaalsContact O-NE 3.08Å; F646-R650 PolarHBondContact O-NH2 2.96Å; I647-R650 PolarHBondContact O-N 3.31Å; A648-R650 PolarHBondContact O-N 3.49Å; R650-A652 PolarHBondContact O-N 3.1Å
651	P	95.8	Very high	94.1	Very high	68 Å²	68	47.4 Å²	47.4	44%	0.442	25%	0.249	S	C	.	.			trans	-57	133.9	169.3	-21	32.2	0	0	0	109.9	F517 H522 V523	F517-P651 HydrophobicContact CD2-CB 3.86Å; F517-P651 HydrophobicContact CE2-CB 3.85Å; H522-P651 CarbonylContact C-O 3.49Å; H522-P651 VanDerWaalsContact CA-O 3.29Å; H522-P651 WeakPolarHBondContact CA-O 3.31Å; H522-P651 HydrophobicContact CB-CB 4.24Å; V523-P651 PolarHBondContact N-O 2.94Å
652	A	97.5	Very high	93.9	Very high	9 Å²	9	43.8 Å²	43.8	7%	0.074	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	153.3	-177.6	0	0	0	0	0	112.1	V523 I647 R650 I673 P674	V523-A652 HydrophobicContact CB-CB 3.97Å; V523-A652 CarbonylContact O-C 3.57Å; V523-A652 WeakPolarHBondContact O-CA 3.35Å; I647-A652 HydrophobicContact CB-CB 4.04Å; I647-A652 HydrophobicContact CG2-CB 4.02Å; R650-A652 PolarHBondContact O-N 3.1Å; A652-I673 HydrophobicContact CB-CG2 3.76Å; A652-P674 WeakPolarHBondContact O-CD 3.29Å
653	I	97.3	Very high	93.8	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.01	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	144.5	-179.3	-164.9	169.3	0	0	0	110.3	L510 W514 F517 V523 I524 V525 I655 P674 W676	L510-I653 HydrophobicContact CD2-CD1 3.52Å; L510-I653 HydrophobicContact CD2-CG1 4.25Å; W514-I653 HydrophobicContact CH2-CD1 4.08Å; W514-I653 HydrophobicContact CZ3-CD1 3.88Å; F517-I653 HydrophobicContact CE1-CG2 4.24Å; F517-I653 HydrophobicContact CZ-CB 4.06Å; F517-I653 HydrophobicContact CZ-CG2 3.79Å; V523-I653 PolarHBondContact O-N 2.94Å; I524-I653 HydrophobicContact CG1-CG2 4.11Å; V525-I653 PolarHBondContact N-O 3.26Å; I653-I655 HydrophobicContact CG2-CG1 4.45Å; I653-P674 HydrophobicContact CG1-CG 4.29Å; I653-W676 HydrophobicContact CD1-CB 3.57Å; I653-W676 HydrophobicContact CD1-CD2 4.35Å; I653-W676 HydrophobicContact CD1-CE3 4.41Å; I653-W676 HydrophobicContact CD1-CG 4.02Å; I653-W676 HydrophobicContact CG1-CB 3.98Å
654	L	98.2	Very high	93.7	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	126.3	175.2	-170.4	148.7	0	0	0	110.5	V525 L527 P656 I664 V667 A668 L671 I673 P674 V675 W676	V525-L654 HydrophobicContact CG1-CD1 4.48Å; V525-L654 WeakPolarHBondContact O-CA 3.37Å; L527-L654 HydrophobicContact CB-CD2 4.25Å; L527-L654 HydrophobicContact CB-CG 4.48Å; L527-L654 HydrophobicContact CD2-CD1 4.27Å; L527-L654 HydrophobicContact CD2-CD2 4.26Å; L654-P656 HydrophobicContact CD2-CB 4.47Å; L654-I664 HydrophobicContact CD2-CG2 3.72Å; L654-V667 HydrophobicContact CD1-CG1 4.07Å; L654-A668 HydrophobicContact CD1-CB 4.25Å; L654-L671 HydrophobicContact CD1-CD1 4.42Å; L654-I673 HydrophobicContact CB-CD1 3.9Å; L654-I673 HydrophobicContact CB-CG1 4.3Å; L654-P674 PolarHBondContact N-O 2.88Å; L654-V675 HydrophobicContact CD2-CG1 4.14Å; L654-V675 HydrophobicContact CD2-CG2 4.4Å; L654-V675 WeakPolarHBondContact O-CA 3.41Å; L654-W676 PolarHBondContact O-N 2.84Å
655	I	97.4	Very high	93.6	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	109	177.3	-57.2	-176.1	0	0	0	108.8	I524 V525 L527 I653 W676 Y964 Y991	I524-I655 HydrophobicContact CD1-CD1 4.4Å; I524-I655 HydrophobicContact CG2-CB 4.46Å; I524-I655 HydrophobicContact CG2-CD1 3.47Å; I524-I655 VanDerWaalsContact CG2-CD1 3.47Å; I524-I655 HydrophobicContact CG2-CG1 3.89Å; V525-I655 PolarHBondContact O-N 3.39Å; L527-I655 PolarHBondContact N-O 2.68Å; I653-I655 HydrophobicContact CG2-CG1 4.45Å; I655-W676 HydrophobicContact CD1-CE3 3.74Å; I655-W676 HydrophobicContact CD1-CZ3 4.11Å; I655-W676 HydrophobicContact CG1-CB 4.44Å; I655-W676 HydrophobicContact CG1-CE3 4.1Å; I655-Y964 HydrophobicContact CD1-CE2 4.32Å; I655-Y964 HydrophobicContact CG2-CD2 4.28Å; I655-Y964 HydrophobicContact CG2-CE2 3.88Å; I655-Y991 HydrophobicContact CG2-CD2 3.77Å; I655-Y991 HydrophobicContact CG2-CE2 4.38Å
656	P	96.1	Very high	93.6	Very high	6 Å²	6	30.2 Å²	30.2	4%	0.039	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	166.4	178.6	31.1	-32.6	0	0	0	112.6	L527 R556 L654 I664 V675 C677	L527-P656 CarbonylContact O-C 3.53Å; L527-P656 VanDerWaalsContact O-CA 3.23Å; L527-P656 WeakPolarHBondContact O-CA 3.39Å; R556-P656 PolarHBondContact NH1-O 2.98Å; R556-P656 PolarHBondContact NH2-O 2.83Å; L654-P656 HydrophobicContact CD2-CB 4.47Å; P656-I664 HydrophobicContact CB-CD1 4Å; P656-I664 HydrophobicContact CB-CG2 4.15Å; P656-I664 HydrophobicContact CG-CG2 4.45Å; P656-V675 HydrophobicContact CG-CG1 4.21Å; P656-C677 HydrophobicContact CG-CB 3.63Å
657	G	91.4	Very high	93.6	Very high	9 Å²	9	29.1 Å²	29.1	9%	0.093	18%	0.178	C	C	.	.	S	Bend	trans	-66.4	-66.8	161.3	0	0	0	0	0	110.6	L527 R556 G990 Y991	L527-G657 PolarHBondContact O-N 3.34Å; R556-G657 VanDerWaalsContact NH2-CA 3.29Å; G657-G990 WeakPolarHBondContact O-CA 3.4Å; G657-Y991 PolarHBondContact O-N 2.93Å
658	F	84.4	Confident	93.6	Very high	23 Å²	23	28.7 Å²	28.7	10%	0.101	18%	0.176	C	C	.	.			trans	-133.2	140.8	178.7	-172.5	-116.4	0	0	0	110.1	S529 S531 Y532 Q660 I664 T687 P989	S529-F658 PolarHBondContact O-N 3.48Å; S531-F658 WeakPolarHBondContact CB-O 3.44Å; S531-F658 PolarHBondContact OG-O 3.14Å; Y532-F658 AromaticContact CD1-CD1 3.68Å; Y532-F658 HydrophobicContact CD1-CD1 3.68Å; Y532-F658 AromaticContact CD1-CE1 3.51Å; Y532-F658 HydrophobicContact CD1-CE1 3.51Å; Y532-F658 HydrophobicContact CD1-CZ 4.35Å; Y532-F658 AromaticContact CE1-CD1 3.56Å; Y532-F658 HydrophobicContact CE1-CD1 3.56Å; Y532-F658 AromaticContact CE1-CE1 3.55Å; Y532-F658 HydrophobicContact CE1-CE1 3.55Å; Y532-F658 HydrophobicContact CE1-CG 4.07Å; Y532-F658 HydrophobicContact CE1-CZ 4.07Å; Y532-F658 HydrophobicContact CG-CD1 4.48Å; F658-Q660 HydrophobicContact CD1-CB 3.85Å; F658-Q660 HydrophobicContact CE1-CB 3.48Å; F658-Q660 VanDerWaalsContact CE1-CB 3.48Å; F658-Q660 HydrophobicContact CE1-CG 4.3Å; F658-Q660 HydrophobicContact CZ-CB 4.29Å; F658-I664 WeakPolarHBondContact O-CD1 3.44Å; F658-T687 HydrophobicContact CE2-CG2 3.54Å; F658-T687 HydrophobicContact CZ-CG2 3.36Å; F658-P989 WeakPolarHBondContact CD2-O 3.1Å; F658-P989 WeakPolarHBondContact CE2-O 3.35Å
659	G	80	Confident	93.7	Very high	2 Å²	2	27.4 Å²	27.4	2%	0.021	16%	0.16	C	C	.	.			trans	-102.2	29.1	-164.6	0	0	0	0	0	116.8	N683	G659-N683 WeakPolarHBondContact CA-ND2 3.32Å; G659-N683 PolarHBondContact O-ND2 3.37Å
660	Q	82.6	Confident	93.9	Very high	52 Å²	52	24.5 Å²	24.5	24%	0.243	13%	0.125	C	C	.	.			trans	-92.7	-6.3	-173.7	-162.3	-176.9	18.3	0	0	114.6	F658	F658-Q660 HydrophobicContact CD1-CB 3.85Å; F658-Q660 HydrophobicContact CE1-CB 3.48Å; F658-Q660 VanDerWaalsContact CE1-CB 3.48Å; F658-Q660 HydrophobicContact CE1-CG 4.3Å; F658-Q660 HydrophobicContact CZ-CB 4.29Å
661	H	90.8	Very high	94	Very high	44 Å²	44	20.8 Å²	20.8	20%	0.204	11%	0.111	C	C	.	.			trans	-112.3	131.6	-174.6	-160.8	-88.4	0	0	0	113.3	S631 D663 I664	S631-H661 PolarHBondContact OG-CE1 3.17Å; S631-H661 VanDerWaalsContact OG-CE1 3.32Å; H661-D663 IonicContact CE1-OD2 3.2Å; H661-D663 PolarHBondContact CE1-OD2 2.95Å; H661-D663 WeakPolarHBondContact ND1-CB 3.49Å; H661-D663 PolarHBondContact ND1-N 3.38Å; H661-D663 IonicContact ND1-OD2 3.95Å; H661-D663 PolarHBondContact O-N 3.41Å; H661-D663 VanDerWaalsContact O-N 3.16Å; H661-I664 WeakPolarHBondContact O-CG1 3.48Å; H661-I664 PolarHBondContact O-N 3.37Å
662	D	92.1	Very high	94.1	Very high	45 Å²	45	23.6 Å²	23.6	24%	0.241	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-30.3	-177.9	-65	-43.3	0	0	0	113.6	R496 I664 F665 Y666	R496-D662 WeakPolarHBondContact CD-OD2 3.43Å; R496-D662 HydrophobicContact CG-CB 3.98Å; R496-D662 IonicContact CZ-OD2 3.57Å; R496-D662 IonicContact NE-OD2 2.96Å; R496-D662 PolarHBondContact NE-OD2 3.04Å; R496-D662 IonicContact NH1-OD2 3.25Å; D662-I664 PolarHBondContact O-N 2.91Å; D662-I664 VanDerWaalsContact O-N 3.16Å; D662-F665 WeakPolarHBondContact O-CB 3.48Å; D662-F665 PolarHBondContact O-N 3.28Å; D662-Y666 PolarHBondContact O-N 3.42Å; D662-Y666 VanDerWaalsContact O-N 3.14Å
663	D	95.3	Very high	94	Very high	13 Å²	13	23.9 Å²	23.9	7%	0.07	12%	0.118	C	C	.	.	H	α-helix	trans	-66.8	-16.9	-176.8	-72.4	-14.7	0	0	0	113.5	A630 S631 K634 H661 F665 Y666 V667	A630-D663 HydrophobicContact CB-CB 4.33Å; S631-D663 PolarHBondContact OG-OD2 2.84Å; S631-D663 VanDerWaalsContact OG-OD2 3.08Å; K634-D663 HydrophobicContact CD-CB 4.07Å; K634-D663 WeakPolarHBondContact CD-OD1 3.42Å; K634-D663 WeakPolarHBondContact CD-OD2 3.47Å; K634-D663 VanDerWaalsContact NZ-CG 3.29Å; K634-D663 IonicContact NZ-OD1 2.66Å; K634-D663 PolarHBondContact NZ-OD1 3.42Å; K634-D663 IonicContact NZ-OD2 3.89Å; K634-D663 PolarHBondContact NZ-OD2 3.18Å; H661-D663 IonicContact CE1-OD2 3.2Å; H661-D663 PolarHBondContact CE1-OD2 2.95Å; H661-D663 WeakPolarHBondContact ND1-CB 3.49Å; H661-D663 PolarHBondContact ND1-N 3.38Å; H661-D663 IonicContact ND1-OD2 3.95Å; H661-D663 PolarHBondContact O-N 3.41Å; H661-D663 VanDerWaalsContact O-N 3.16Å; D663-F665 VanDerWaalsContact C-N 3.32Å; D663-Y666 PolarHBondContact O-N 2.92Å; D663-V667 WeakPolarHBondContact O-CB 3.08Å; D663-V667 VanDerWaalsContact O-CG2 3.3Å; D663-V667 WeakPolarHBondContact O-CG2 3.49Å; D663-V667 PolarHBondContact O-N 2.91Å
664	I	96.7	Very high	94	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.005	12%	0.122	C	C	.	.	H	α-helix	trans	-59.8	-47.1	168.8	-60.9	167.4	0	0	0	109.8	S531 A630 L654 P656 F658 H661 D662 V667 A668 V675	S531-I664 WeakPolarHBondContact OG-CD1 3.34Å; A630-I664 HydrophobicContact CB-CG1 3.82Å; L654-I664 HydrophobicContact CD2-CG2 3.72Å; P656-I664 HydrophobicContact CB-CD1 4Å; P656-I664 HydrophobicContact CB-CG2 4.15Å; P656-I664 HydrophobicContact CG-CG2 4.45Å; F658-I664 WeakPolarHBondContact O-CD1 3.44Å; H661-I664 WeakPolarHBondContact O-CG1 3.48Å; H661-I664 PolarHBondContact O-N 3.37Å; D662-I664 PolarHBondContact O-N 2.91Å; D662-I664 VanDerWaalsContact O-N 3.16Å; I664-V667 PolarHBondContact O-N 3.24Å; I664-A668 WeakPolarHBondContact O-CB 3.37Å; I664-A668 PolarHBondContact O-N 3.01Å; I664-V675 HydrophobicContact CG2-CG1 3.8Å; I664-V675 HydrophobicContact CG2-CG2 4.16Å
665	F	97	Very high	93.9	Very high	3 Å²	3	24.4 Å²	24.4	1%	0.013	12%	0.122	C	C	.	.	H	α-helix	trans	-71.1	-34.6	179.7	-62.4	-89.1	0	0	0	111.5	C499 D662 D663 N669 V675 P680	C499-F665 HydrophobicContact CB-CB 4.24Å; D662-F665 WeakPolarHBondContact O-CB 3.48Å; D662-F665 PolarHBondContact O-N 3.28Å; D663-F665 VanDerWaalsContact C-N 3.32Å; F665-N669 VanDerWaalsContact O-CB 3.24Å; F665-N669 WeakPolarHBondContact O-CB 3.48Å; F665-N669 PolarHBondContact O-N 3.36Å; F665-V675 HydrophobicContact CD1-CB 4.39Å; F665-V675 HydrophobicContact CD1-CG2 4.04Å; F665-V675 HydrophobicContact CE1-CB 4.13Å; F665-V675 HydrophobicContact CE1-CG1 4.41Å; F665-V675 HydrophobicContact CE1-CG2 4.27Å; F665-P680 HydrophobicContact CD2-CG 4.08Å; F665-P680 VanDerWaalsContact CE2-CD 3.44Å; F665-P680 HydrophobicContact CE2-CG 3.61Å; F665-P680 HydrophobicContact CZ-CG 4.49Å
666	Y	96.6	Very high	93.9	Very high	82 Å²	82	25.1 Å²	25.1	32%	0.322	13%	0.125	S	C	.	.	H	α-helix	trans	-61.9	-49.8	172.7	-173.3	-87.4	0	0	0	111.5	T495 K634 D662 D663 A668 N669 C670	T495-Y666 HydrophobicContact CG2-CD2 4.17Å; T495-Y666 HydrophobicContact CG2-CE2 4.12Å; K634-Y666 HydrophobicContact CB-CD1 4.23Å; K634-Y666 HydrophobicContact CD-CD1 3.68Å; K634-Y666 HydrophobicContact CD-CE1 4.07Å; K634-Y666 HydrophobicContact CD-CG 4.17Å; K634-Y666 HydrophobicContact CG-CD1 3.59Å; K634-Y666 HydrophobicContact CG-CE1 3.69Å; D662-Y666 PolarHBondContact O-N 3.42Å; D662-Y666 VanDerWaalsContact O-N 3.14Å; D663-Y666 PolarHBondContact O-N 2.92Å; Y666-A668 PolarHBondContact O-N 2.88Å; Y666-N669 PolarHBondContact O-N 3.48Å; Y666-C670 WeakPolarHBondContact CE1-SG 3.37Å; Y666-C670 PolarHBondContact O-N 2.95Å; Y666-C670 PolarHBondContact O-SG 3.26Å; Y666-C670 VanDerWaalsContact O-SG 3.4Å
667	V	97.5	Very high	93.8	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-59.8	-46.4	177.3	164.7	0	0	0	0	110.8	A630 L633 K634 L640 L654 D663 I664 N669 C670 L671	A630-V667 WeakPolarHBondContact O-CG2 3.12Å; L633-V667 HydrophobicContact CB-CG2 4.28Å; L633-V667 HydrophobicContact CD2-CG1 3.61Å; L633-V667 HydrophobicContact CD2-CG2 4.47Å; L633-V667 HydrophobicContact CG-CG1 4.04Å; L633-V667 HydrophobicContact CG-CG2 4.2Å; K634-V667 HydrophobicContact CB-CG2 3.95Å; L640-V667 HydrophobicContact CD2-CG1 4.03Å; L654-V667 HydrophobicContact CD1-CG1 4.07Å; D663-V667 WeakPolarHBondContact O-CB 3.08Å; D663-V667 VanDerWaalsContact O-CG2 3.3Å; D663-V667 WeakPolarHBondContact O-CG2 3.49Å; D663-V667 PolarHBondContact O-N 2.91Å; I664-V667 PolarHBondContact O-N 3.24Å; V667-N669 VanDerWaalsContact C-N 3.33Å; V667-N669 PolarHBondContact O-N 3.2Å; V667-C670 CarbonylContact O-C 3.52Å; V667-C670 WeakPolarHBondContact O-CB 3.28Å; V667-C670 PolarHBondContact O-N 3.45Å; V667-C670 VanDerWaalsContact O-N 3.15Å; V667-L671 HydrophobicContact CG1-CD1 4Å; V667-L671 HydrophobicContact CG1-CG 4.5Å; V667-L671 WeakPolarHBondContact O-CG 3.15Å; V667-L671 PolarHBondContact O-N 2.96Å
668	A	97.3	Very high	93.9	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-62.3	-40.6	178.3	0	0	0	0	0	112.3	L654 I664 Y666 L671 E672 I673 V675	L654-A668 HydrophobicContact CD1-CB 4.25Å; I664-A668 WeakPolarHBondContact O-CB 3.37Å; I664-A668 PolarHBondContact O-N 3.01Å; Y666-A668 PolarHBondContact O-N 2.88Å; A668-L671 CarbonylContact O-C 3.51Å; A668-L671 PolarHBondContact O-N 3.4Å; A668-L671 VanDerWaalsContact O-N 3.14Å; A668-E672 PolarHBondContact O-N 2.92Å; A668-I673 PolarHBondContact O-N 3.3Å; A668-I673 VanDerWaalsContact O-N 3.07Å; A668-V675 HydrophobicContact CB-CG2 3.18Å
669	N	97	Very high	94.2	Very high	40 Å²	40	25.5 Å²	25.5	21%	0.214	13%	0.126	C	C	.	.	H	α-helix	trans	-62.6	-41.9	172.8	-176.7	66.9	0	0	0	111.8	C499 F665 Y666 V667 L671 E672	C499-N669 HydrophobicContact CB-CB 4.22Å; F665-N669 VanDerWaalsContact O-CB 3.24Å; F665-N669 WeakPolarHBondContact O-CB 3.48Å; F665-N669 PolarHBondContact O-N 3.36Å; Y666-N669 PolarHBondContact O-N 3.48Å; V667-N669 VanDerWaalsContact C-N 3.33Å; V667-N669 PolarHBondContact O-N 3.2Å; N669-L671 VanDerWaalsContact C-N 3.27Å; N669-L671 PolarHBondContact O-N 3.45Å; N669-E672 PolarHBondContact O-N 2.81Å; N669-E672 VanDerWaalsContact O-N 3.09Å
670	C	96.4	Very high	94.7	Very high	30 Å²	30	26.2 Å²	26.2	20%	0.203	13%	0.13	C	C	.	.	H	α-helix	trans	-63.3	-31	172.7	-72.4	0	0	0	0	113.1	R644 Y666 V667 E672	R644-C670 PolarHBondContact NE-O 2.98Å; R644-C670 PolarHBondContact NH2-O 2.99Å; Y666-C670 WeakPolarHBondContact CE1-SG 3.37Å; Y666-C670 PolarHBondContact O-N 2.95Å; Y666-C670 PolarHBondContact O-SG 3.26Å; Y666-C670 VanDerWaalsContact O-SG 3.4Å; V667-C670 CarbonylContact O-C 3.52Å; V667-C670 WeakPolarHBondContact O-CB 3.28Å; V667-C670 PolarHBondContact O-N 3.45Å; V667-C670 VanDerWaalsContact O-N 3.15Å; C670-E672 VanDerWaalsContact C-N 3.31Å
671	L	97.6	Very high	95	Very high	6 Å²	6	27 Å²	27	3%	0.031	14%	0.142	C	C	.	.	H	α-helix	trans	-86.4	-6.3	174.9	-66.7	176.4	0	0	0	112.8	L640 I643 R644 I647 L654 V667 A668 N669 I673	L640-L671 HydrophobicContact CD2-CD2 4.01Å; L640-L671 HydrophobicContact CD2-CG 4.12Å; I643-L671 HydrophobicContact CB-CD2 3.9Å; I643-L671 HydrophobicContact CG2-CD1 3.81Å; I643-L671 HydrophobicContact CG2-CD2 3.75Å; I643-L671 HydrophobicContact CG2-CG 4.42Å; R644-L671 HydrophobicContact CB-CD2 4.32Å; I647-L671 HydrophobicContact CD1-CB 4.21Å; L654-L671 HydrophobicContact CD1-CD1 4.42Å; V667-L671 HydrophobicContact CG1-CD1 4Å; V667-L671 HydrophobicContact CG1-CG 4.5Å; V667-L671 WeakPolarHBondContact O-CG 3.15Å; V667-L671 PolarHBondContact O-N 2.96Å; A668-L671 CarbonylContact O-C 3.51Å; A668-L671 PolarHBondContact O-N 3.4Å; A668-L671 VanDerWaalsContact O-N 3.14Å; N669-L671 VanDerWaalsContact C-N 3.27Å; N669-L671 PolarHBondContact O-N 3.45Å; L671-I673 VanDerWaalsContact C-N 3.25Å; L671-I673 HydrophobicContact CB-CD1 3.93Å; L671-I673 HydrophobicContact CB-CG1 3.82Å; L671-I673 HydrophobicContact CD1-CD1 4.04Å; L671-I673 PolarHBondContact O-N 3.43Å
672	E	96.3	Very high	95	Very high	128 Å²	128	26.6 Å²	26.6	60%	0.598	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.7	26.4	-176.8	-62	172.5	-154.6	0	0	114.8	K506 A668 N669 C670	K506-E672 PolarHBondContact NZ-O 2.8Å; A668-E672 PolarHBondContact O-N 2.92Å; N669-E672 PolarHBondContact O-N 2.81Å; N669-E672 VanDerWaalsContact O-N 3.09Å; C670-E672 VanDerWaalsContact C-N 3.31Å
673	I	96.8	Very high	94.7	Very high	14 Å²	14	24.5 Å²	24.5	7%	0.072	13%	0.129	C	C	.	.			trans	-115.6	155.2	-178.8	60.4	-177.7	0	0	0	112	V525 I647 A652 L654 A668 L671	V525-I673 HydrophobicContact CB-CD1 4.38Å; V525-I673 HydrophobicContact CG2-CD1 3.98Å; I647-I673 HydrophobicContact CD1-CD1 4.43Å; I647-I673 HydrophobicContact CD1-CG2 3.89Å; A652-I673 HydrophobicContact CB-CG2 3.76Å; L654-I673 HydrophobicContact CB-CD1 3.9Å; L654-I673 HydrophobicContact CB-CG1 4.3Å; A668-I673 PolarHBondContact O-N 3.3Å; A668-I673 VanDerWaalsContact O-N 3.07Å; L671-I673 VanDerWaalsContact C-N 3.25Å; L671-I673 HydrophobicContact CB-CD1 3.93Å; L671-I673 HydrophobicContact CB-CG1 3.82Å; L671-I673 HydrophobicContact CD1-CD1 4.04Å; L671-I673 PolarHBondContact O-N 3.43Å
674	P	96.8	Very high	94.3	Very high	13 Å²	13	25.7 Å²	25.7	8%	0.084	14%	0.138	C	C	.	.			trans	-71.6	152.8	172.2	27.3	-31.9	0	0	0	112.5	K506 L507 L510 A652 I653 L654	K506-P674 HydrophobicContact CB-CB 3.88Å; K506-P674 HydrophobicContact CB-CG 4.47Å; L507-P674 HydrophobicContact CB-CB 4.16Å; L507-P674 HydrophobicContact CD1-CB 4.21Å; L510-P674 HydrophobicContact CD2-CG 3.91Å; A652-P674 WeakPolarHBondContact O-CD 3.29Å; I653-P674 HydrophobicContact CG1-CG 4.29Å; L654-P674 PolarHBondContact N-O 2.88Å
675	V	97	Very high	93.9	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.162	C	C	.	.	B	Isolated β-bridge	trans	-96.6	126.2	168.5	-174.9	0	0	0	0	109.3	S503 L507 L654 P656 I664 F665 A668 C677	S503-V675 PolarHBondContact OG-N 2.88Å; L507-V675 WeakPolarHBondContact CD1-O 3.44Å; L507-V675 WeakPolarHBondContact CD2-O 3.39Å; L654-V675 HydrophobicContact CD2-CG1 4.14Å; L654-V675 HydrophobicContact CD2-CG2 4.4Å; L654-V675 WeakPolarHBondContact O-CA 3.41Å; P656-V675 HydrophobicContact CG-CG1 4.21Å; I664-V675 HydrophobicContact CG2-CG1 3.8Å; I664-V675 HydrophobicContact CG2-CG2 4.16Å; F665-V675 HydrophobicContact CD1-CB 4.39Å; F665-V675 HydrophobicContact CD1-CG2 4.04Å; F665-V675 HydrophobicContact CE1-CB 4.13Å; F665-V675 HydrophobicContact CE1-CG1 4.41Å; F665-V675 HydrophobicContact CE1-CG2 4.27Å; A668-V675 HydrophobicContact CB-CG2 3.18Å; V675-C677 VanDerWaalsContact C-N 3.27Å; V675-C677 HydrophobicContact CG1-CB 3.79Å; V675-C677 PolarHBondContact O-N 2.82Å; V675-C677 VanDerWaalsContact O-N 3.08Å
676	W	96.2	Very high	93.5	Very high	17 Å²	17	30.6 Å²	30.6	6%	0.064	16%	0.164	C	C	.	.	S	Bend	trans	-85.9	70	172.9	-165	12.5	0	0	0	111.7	W514 I653 L654 I655 A906 I907 L908 Y964	W514-W676 AromaticContact CH2-CD2 3.83Å; W514-W676 HydrophobicContact CH2-CD2 3.83Å; W514-W676 AromaticContact CH2-CE2 3.83Å; W514-W676 AromaticContact CH2-CE3 3.86Å; W514-W676 HydrophobicContact CH2-CE3 3.86Å; W514-W676 AromaticContact CH2-CH2 3.98Å; W514-W676 HydrophobicContact CH2-CH2 3.98Å; W514-W676 AromaticContact CH2-CZ2 3.95Å; W514-W676 HydrophobicContact CH2-CZ2 3.95Å; W514-W676 AromaticContact CH2-CZ3 3.92Å; W514-W676 HydrophobicContact CH2-CZ3 3.92Å; W514-W676 AromaticContact CZ2-CH2 3.86Å; W514-W676 HydrophobicContact CZ2-CH2 3.86Å; W514-W676 HydrophobicContact CZ2-CZ2 4.02Å; W514-W676 HydrophobicContact CZ2-CZ3 4.12Å; I653-W676 HydrophobicContact CD1-CB 3.57Å; I653-W676 HydrophobicContact CD1-CD2 4.35Å; I653-W676 HydrophobicContact CD1-CE3 4.41Å; I653-W676 HydrophobicContact CD1-CG 4.02Å; I653-W676 HydrophobicContact CG1-CB 3.98Å; L654-W676 PolarHBondContact O-N 2.84Å; I655-W676 HydrophobicContact CD1-CE3 3.74Å; I655-W676 HydrophobicContact CD1-CZ3 4.11Å; I655-W676 HydrophobicContact CG1-CB 4.44Å; I655-W676 HydrophobicContact CG1-CE3 4.1Å; W676-A906 HydrophobicContact CH2-CB 4.31Å; W676-A906 HydrophobicContact CZ2-CB 4.28Å; W676-I907 PolarHBondContact NE1-O 3.2Å; W676-I907 VanDerWaalsContact NE1-O 3.13Å; W676-L908 HydrophobicContact CH2-CD2 3.99Å; W676-L908 HydrophobicContact CZ2-CD2 3.54Å; W676-Y964 HydrophobicContact CE3-CE2 4.12Å; W676-Y964 HydrophobicContact CH2-CE1 4.24Å; W676-Y964 HydrophobicContact CH2-CE2 4.25Å; W676-Y964 AromaticContact CH2-CZ 3.79Å; W676-Y964 AromaticContact CZ3-CE2 3.84Å; W676-Y964 HydrophobicContact CZ3-CE2 3.84Å; W676-Y964 AromaticContact CZ3-CZ 3.61Å; W676-Y964 WeakPolarHBondContact CZ3-OH 3.21Å
677	C	94.4	Very high	92.8	Very high	13 Å²	13	28 Å²	28	9%	0.088	16%	0.156	C	C	.	.	S	Bend	trans	-161.5	151.6	179.3	-166.1	0	0	0	0	109.9	P656 V675 N683 V962	P656-C677 HydrophobicContact CG-CB 3.63Å; V675-C677 VanDerWaalsContact C-N 3.27Å; V675-C677 HydrophobicContact CG1-CB 3.79Å; V675-C677 PolarHBondContact O-N 2.82Å; V675-C677 VanDerWaalsContact O-N 3.08Å; C677-N683 PolarHBondContact SG-ND2 3.15Å; C677-V962 CarbonylContact C-O 3.44Å; C677-V962 WeakPolarHBondContact CA-O 3.38Å
678	S	92.7	Very high	92.4	Very high	3 Å²	3	30.2 Å²	30.2	2%	0.021	17%	0.168	C	C	.	.			trans	-62.6	161.5	169.9	-20.2	0	0	0	0	110.9	N683 V961 V962	S678-N683 WeakPolarHBondContact CB-OD1 3.47Å; S678-N683 PolarHBondContact O-ND2 3.43Å; S678-N683 PolarHBondContact OG-OD1 3.18Å; S678-N683 VanDerWaalsContact OG-OD1 3.07Å; S678-V961 WeakPolarHBondContact OG-CA 3.3Å; S678-V962 PolarHBondContact N-O 2.98Å; S678-V962 PolarHBondContact OG-N 3.41Å; S678-V962 PolarHBondContact OG-O 2.73Å
679	I	91.9	Very high	92.1	Very high	30 Å²	30	30.4 Å²	30.4	15%	0.154	17%	0.169	C	C	.	.			trans	-67.4	155.8	176.3	61.5	175.4	0	0	0	111.2	T500 Q504 S681 I682 N683	T500-I679 HydrophobicContact CG2-CB 4Å; T500-I679 HydrophobicContact CG2-CG2 3.32Å; Q504-I679 HydrophobicContact CG-CG2 3.88Å; Q504-I679 VanDerWaalsContact NE2-CG2 3.26Å; I679-S681 VanDerWaalsContact C-N 3.26Å; I679-S681 WeakPolarHBondContact CD1-OG 3.36Å; I679-S681 PolarHBondContact O-N 3.39Å; I679-S681 VanDerWaalsContact O-N 3.15Å; I679-I682 HydrophobicContact CD1-CD1 4.1Å; I679-I682 HydrophobicContact CD1-CG1 4.12Å; I679-I682 HydrophobicContact CG1-CB 4.1Å; I679-I682 HydrophobicContact CG1-CD1 3.75Å; I679-I682 HydrophobicContact CG1-CG1 3.66Å; I679-I682 PolarHBondContact O-N 3.42Å; I679-N683 PolarHBondContact O-N 2.85Å
680	P	89.6	Confident	91.8	Very high	17 Å²	17	28.6 Å²	28.6	11%	0.11	16%	0.16	C	C	.	.	H	α-helix	trans	-55.5	-37.9	-173.4	-30.5	39.3	0	0	0	114.4	F665 I682 N683 S684	F665-P680 HydrophobicContact CD2-CG 4.08Å; F665-P680 VanDerWaalsContact CE2-CD 3.44Å; F665-P680 HydrophobicContact CE2-CG 3.61Å; F665-P680 HydrophobicContact CZ-CG 4.49Å; P680-I682 VanDerWaalsContact C-N 3.35Å; P680-I682 PolarHBondContact O-N 3.22Å; P680-N683 PolarHBondContact O-N 3.01Å; P680-S684 WeakPolarHBondContact O-CB 3.39Å; P680-S684 PolarHBondContact O-N 3.48Å; P680-S684 PolarHBondContact O-OG 2.95Å; P680-S684 VanDerWaalsContact O-OG 3.13Å
681	S	88.4	Confident	91.6	Very high	69 Å²	69	28.3 Å²	28.3	48%	0.483	16%	0.157	S	C	.	.	H	α-helix	trans	-66	-33.6	178.5	52.2	0	0	0	0	113.5	I679 S684 L685	I679-S681 VanDerWaalsContact C-N 3.26Å; I679-S681 WeakPolarHBondContact CD1-OG 3.36Å; I679-S681 PolarHBondContact O-N 3.39Å; I679-S681 VanDerWaalsContact O-N 3.15Å; S681-S684 PolarHBondContact O-OG 3.14Å; S681-L685 WeakPolarHBondContact O-CG 3.23Å
682	I	90.7	Very high	91.2	Very high	34 Å²	34	28.3 Å²	28.3	17%	0.174	16%	0.157	C	C	.	.	H	α-helix	trans	-73.9	-52.1	174	-65.7	179.2	0	0	0	108.6	I679 P680 S684 L685 F686 V961	I679-I682 HydrophobicContact CD1-CD1 4.1Å; I679-I682 HydrophobicContact CD1-CG1 4.12Å; I679-I682 HydrophobicContact CG1-CB 4.1Å; I679-I682 HydrophobicContact CG1-CD1 3.75Å; I679-I682 HydrophobicContact CG1-CG1 3.66Å; I679-I682 PolarHBondContact O-N 3.42Å; P680-I682 VanDerWaalsContact C-N 3.35Å; P680-I682 PolarHBondContact O-N 3.22Å; I682-S684 VanDerWaalsContact C-N 3.26Å; I682-S684 PolarHBondContact O-N 2.95Å; I682-L685 WeakPolarHBondContact O-CB 3.4Å; I682-L685 PolarHBondContact O-N 2.98Å; I682-F686 HydrophobicContact CG2-CD2 3.77Å; I682-F686 HydrophobicContact CG2-CE2 3.79Å; I682-F686 WeakPolarHBondContact O-CD2 3.41Å; I682-F686 PolarHBondContact O-N 3.37Å; I682-V961 HydrophobicContact CG2-CG2 4.15Å
683	N	87.5	Confident	91	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.011	13%	0.131	C	C	.	.	H	α-helix	trans	-56.8	-39.9	-178.5	-72	-26.1	0	0	0	112.4	G659 C677 S678 I679 P680 L685 F686 T687	G659-N683 WeakPolarHBondContact CA-ND2 3.32Å; G659-N683 PolarHBondContact O-ND2 3.37Å; C677-N683 PolarHBondContact SG-ND2 3.15Å; S678-N683 WeakPolarHBondContact CB-OD1 3.47Å; S678-N683 PolarHBondContact O-ND2 3.43Å; S678-N683 PolarHBondContact OG-OD1 3.18Å; S678-N683 VanDerWaalsContact OG-OD1 3.07Å; I679-N683 PolarHBondContact O-N 2.85Å; P680-N683 PolarHBondContact O-N 3.01Å; N683-L685 PolarHBondContact O-N 3.13Å; N683-F686 PolarHBondContact O-N 2.66Å; N683-T687 WeakPolarHBondContact O-CG2 3.44Å; N683-T687 PolarHBondContact O-N 2.94Å; N683-T687 PolarHBondContact O-OG1 3.35Å
684	S	85.7	Confident	90.8	Very high	37 Å²	37	26.7 Å²	26.7	26%	0.259	14%	0.144	S	C	.	.	H	α-helix	trans	-62	-30.4	177.7	58.1	0	0	0	0	113.7	P680 S681 I682 T687 L688	P680-S684 WeakPolarHBondContact O-CB 3.39Å; P680-S684 PolarHBondContact O-N 3.48Å; P680-S684 PolarHBondContact O-OG 2.95Å; P680-S684 VanDerWaalsContact O-OG 3.13Å; S681-S684 PolarHBondContact O-OG 3.14Å; I682-S684 VanDerWaalsContact C-N 3.26Å; I682-S684 PolarHBondContact O-N 2.95Å; S684-T687 PolarHBondContact O-OG1 2.86Å; S684-L688 WeakPolarHBondContact O-CG 3.5Å
685	L	88.2	Confident	90.6	Very high	95 Å²	95	26.3 Å²	26.3	50%	0.497	14%	0.142	S	C	.	.	H	α-helix	trans	-75.7	-43.3	177.7	-68.7	169.6	0	0	0	111	S681 I682 N683 T687 L688 T691	S681-L685 WeakPolarHBondContact O-CG 3.23Å; I682-L685 WeakPolarHBondContact O-CB 3.4Å; I682-L685 PolarHBondContact O-N 2.98Å; N683-L685 PolarHBondContact O-N 3.13Å; L685-T687 PolarHBondContact O-N 3.25Å; L685-L688 HydrophobicContact CD2-CD1 4.37Å; L685-L688 WeakPolarHBondContact O-CB 3.31Å; L685-L688 WeakPolarHBondContact O-CG 3.49Å; L685-L688 PolarHBondContact O-N 2.94Å; L685-T691 WeakPolarHBondContact O-CB 3.45Å; L685-T691 WeakPolarHBondContact O-CG2 3.44Å; L685-T691 PolarHBondContact O-OG1 3.15Å
686	F	88.4	Confident	90.3	Very high	13 Å²	13	26.3 Å²	26.3	6%	0.057	14%	0.142	C	C	.	.	H	α-helix	trans	-72.6	-5.7	-179.3	-79.8	-93.4	0	0	0	114.2	I682 N683 L695 M956 K959 V961 P989	I682-F686 HydrophobicContact CG2-CD2 3.77Å; I682-F686 HydrophobicContact CG2-CE2 3.79Å; I682-F686 WeakPolarHBondContact O-CD2 3.41Å; I682-F686 PolarHBondContact O-N 3.37Å; N683-F686 PolarHBondContact O-N 2.66Å; F686-L695 HydrophobicContact CD1-CD1 4.16Å; F686-L695 HydrophobicContact CE1-CD1 3.35Å; F686-L695 HydrophobicContact CZ-CD1 4.14Å; F686-M956 HydrophobicContact CD1-CG 4.46Å; F686-M956 HydrophobicContact CD1-SD 4.31Å; F686-M956 HydrophobicContact CE1-CB 4.41Å; F686-M956 HydrophobicContact CE1-CG 3.85Å; F686-M956 HydrophobicContact CE1-SD 4.28Å; F686-K959 HydrophobicContact CE2-CB 4.46Å; F686-K959 HydrophobicContact CZ-CB 3.89Å; F686-K959 HydrophobicContact CZ-CD 3.98Å; F686-V961 HydrophobicContact CD1-CG2 3.88Å; F686-V961 HydrophobicContact CD2-CG2 3.72Å; F686-V961 HydrophobicContact CE1-CG2 3.54Å; F686-V961 HydrophobicContact CE2-CG2 3.39Å; F686-V961 HydrophobicContact CG-CG2 3.96Å; F686-V961 HydrophobicContact CZ-CG2 3.29Å; F686-P989 HydrophobicContact CB-CG 3.53Å
687	T	82.9	Confident	90.1	Very high	27 Å²	27	31.3 Å²	31.3	17%	0.166	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-9.5	174	55.9	0	0	0	0	113.6	F658 N683 S684 L685 P989	F658-T687 HydrophobicContact CE2-CG2 3.54Å; F658-T687 HydrophobicContact CZ-CG2 3.36Å; N683-T687 WeakPolarHBondContact O-CG2 3.44Å; N683-T687 PolarHBondContact O-N 2.94Å; N683-T687 PolarHBondContact O-OG1 3.35Å; S684-T687 PolarHBondContact O-OG1 2.86Å; L685-T687 PolarHBondContact O-N 3.25Å; T687-P989 HydrophobicContact CG2-CG 4.43Å
688	L	89	Confident	90	Very high	47 Å²	47	34.2 Å²	34.2	25%	0.246	18%	0.176	C	C	.	.	S	Bend	trans	-78.1	135.9	177	-50.4	174.3	0	0	0	109.3	S684 L685 S690 T691 T692 D804	S684-L688 WeakPolarHBondContact O-CG 3.5Å; L685-L688 HydrophobicContact CD2-CD1 4.37Å; L685-L688 WeakPolarHBondContact O-CB 3.31Å; L685-L688 WeakPolarHBondContact O-CG 3.49Å; L685-L688 PolarHBondContact O-N 2.94Å; L688-S690 VanDerWaalsContact C-N 3.29Å; L688-S690 PolarHBondContact O-N 3.4Å; L688-T691 WeakPolarHBondContact O-CB 3.39Å; L688-T691 PolarHBondContact O-N 3.39Å; L688-T691 VanDerWaalsContact O-N 3.1Å; L688-T692 PolarHBondContact O-N 3.36Å; L688-D804 HydrophobicContact CD2-CB 4.5Å; L688-D804 WeakPolarHBondContact CD2-O 3.18Å
689	Q	90.2	Very high	89.9	Confident	4 Å²	4	34.4 Å²	34.4	2%	0.019	18%	0.177	C	C	.	.	H	α-helix	trans	-65.3	-36	179.6	-68.3	-72.5	-1.5	0	0	111	T691 T692 R693 K802 D804 N807 V888 D986	Q689-T691 VanDerWaalsContact C-N 3.29Å; Q689-T691 PolarHBondContact O-N 3.15Å; Q689-T692 WeakPolarHBondContact O-CB 3.38Å; Q689-T692 PolarHBondContact O-N 2.9Å; Q689-R693 PolarHBondContact O-N 3.33Å; Q689-K802 HydrophobicContact CG-CB 4.12Å; Q689-K802 HydrophobicContact CG-CD 4.18Å; Q689-D804 WeakPolarHBondContact CA-OD1 3.33Å; Q689-D804 VanDerWaalsContact CB-OD1 3.27Å; Q689-D804 WeakPolarHBondContact CB-OD1 2.98Å; Q689-D804 PolarHBondContact N-OD1 2.88Å; Q689-N807 PolarHBondContact NE2-ND2 3.45Å; Q689-N807 PolarHBondContact NE2-OD1 3.32Å; Q689-V888 HydrophobicContact CB-CB 4.16Å; Q689-V888 HydrophobicContact CB-CG2 3.67Å; Q689-D986 PolarHBondContact NE2-OD1 3.1Å; Q689-D986 PolarHBondContact NE2-OD2 3.41Å; Q689-D986 PolarHBondContact OE1-OD1 3.45Å
690	S	91.7	Very high	89.7	Confident	2 Å²	2	34.8 Å²	34.8	1%	0.014	18%	0.179	C	C	.	.	H	α-helix	trans	-63.9	-33.3	173.5	59.7	0	0	0	0	112.6	L688 R693 R694 D804	L688-S690 VanDerWaalsContact C-N 3.29Å; L688-S690 PolarHBondContact O-N 3.4Å; S690-R693 PolarHBondContact O-N 2.85Å; S690-R694 WeakPolarHBondContact O-CG 3.36Å; S690-R694 PolarHBondContact O-N 3.11Å; S690-R694 PolarHBondContact O-NH1 3.41Å; S690-R694 PolarHBondContact OG-NH1 3.22Å; S690-D804 WeakPolarHBondContact CB-OD2 3.49Å; S690-D804 PolarHBondContact N-OD1 3.21Å; S690-D804 PolarHBondContact OG-OD1 3Å; S690-D804 PolarHBondContact OG-OD2 3.45Å
691	T	90.9	Very high	89.5	Confident	23 Å²	23	37.8 Å²	37.8	14%	0.141	19%	0.194	C	C	.	.	H	α-helix	trans	-66.3	-40.3	174.5	-61.1	0	0	0	0	111	L685 L688 Q689 R693 R694 L695	L685-T691 WeakPolarHBondContact O-CB 3.45Å; L685-T691 WeakPolarHBondContact O-CG2 3.44Å; L685-T691 PolarHBondContact O-OG1 3.15Å; L688-T691 WeakPolarHBondContact O-CB 3.39Å; L688-T691 PolarHBondContact O-N 3.39Å; L688-T691 VanDerWaalsContact O-N 3.1Å; Q689-T691 VanDerWaalsContact C-N 3.29Å; Q689-T691 PolarHBondContact O-N 3.15Å; T691-R693 VanDerWaalsContact C-N 3.33Å; T691-R693 PolarHBondContact O-N 3.21Å; T691-R694 PolarHBondContact O-N 3.31Å; T691-L695 VanDerWaalsContact O-CB 3.23Å; T691-L695 WeakPolarHBondContact O-CB 3.44Å; T691-L695 PolarHBondContact O-N 3.48Å
692	T	89.6	Confident	89.3	Confident	6 Å²	6	36.4 Å²	36.4	4%	0.037	18%	0.183	C	C	.	.	H	α-helix	trans	-56.1	-49.4	171.3	-61.4	0	0	0	0	110.6	L688 Q689 R694 L695 V696 I987	L688-T692 PolarHBondContact O-N 3.36Å; Q689-T692 WeakPolarHBondContact O-CB 3.38Å; Q689-T692 PolarHBondContact O-N 2.9Å; T692-R694 PolarHBondContact O-N 3.4Å; T692-L695 PolarHBondContact O-N 2.94Å; T692-V696 HydrophobicContact CG2-CG2 4.26Å; T692-V696 WeakPolarHBondContact O-CB 3.46Å; T692-V696 WeakPolarHBondContact O-CG2 3.14Å; T692-V696 PolarHBondContact O-N 2.93Å; T692-I987 HydrophobicContact CG2-CB 4.34Å; T692-I987 HydrophobicContact CG2-CD1 3.94Å; T692-I987 HydrophobicContact CG2-CG1 3.81Å; T692-I987 PolarHBondContact OG1-N 3.04Å
693	R	92.1	Very high	88.7	Confident	14 Å²	14	37 Å²	37	5%	0.053	19%	0.186	C	C	.	.	H	α-helix	trans	-59.1	-47.4	179.3	-70	-162.5	69.6	115.9	14.4	112.6	Q689 S690 T691 L695 K697 Q769 P770 G772 F774 V888 I889	Q689-R693 PolarHBondContact O-N 3.33Å; S690-R693 PolarHBondContact O-N 2.85Å; T691-R693 VanDerWaalsContact C-N 3.33Å; T691-R693 PolarHBondContact O-N 3.21Å; R693-L695 VanDerWaalsContact C-N 3.33Å; R693-L695 PolarHBondContact O-N 3.4Å; R693-K697 WeakPolarHBondContact O-CB 3.39Å; R693-K697 PolarHBondContact O-N 3.44Å; R693-Q769 VanDerWaalsContact CA-NE2 3.3Å; R693-Q769 PolarHBondContact O-NE2 2.97Å; R693-P770 PolarHBondContact NH1-O 3.26Å; R693-P770 PolarHBondContact NH2-O 3.3Å; R693-G772 PolarHBondContact NH2-O 2.84Å; R693-F774 HydrophobicContact CB-CD1 3.89Å; R693-F774 HydrophobicContact CB-CE1 4.2Å; R693-F774 HydrophobicContact CG-CD1 4.47Å; R693-V888 HydrophobicContact CG-CG1 4.3Å; R693-I889 PolarHBondContact NH1-O 3.02Å
694	R	93.7	Very high	88	Confident	94 Å²	94	39.6 Å²	39.6	36%	0.355	21%	0.205	S	C	.	.	H	α-helix	trans	-61.6	-41	177.7	-69.9	-179.5	-160.8	96.8	-5.4	112.1	S690 T691 T692 Q698 F774 D775	S690-R694 WeakPolarHBondContact O-CG 3.36Å; S690-R694 PolarHBondContact O-N 3.11Å; S690-R694 PolarHBondContact O-NH1 3.41Å; S690-R694 PolarHBondContact OG-NH1 3.22Å; T691-R694 PolarHBondContact O-N 3.31Å; T692-R694 PolarHBondContact O-N 3.4Å; R694-Q698 WeakPolarHBondContact O-CB 3.13Å; R694-Q698 PolarHBondContact O-N 3.36Å; R694-F774 HydrophobicContact CG-CE2 3.83Å; R694-F774 HydrophobicContact CG-CZ 3.75Å; R694-D775 IonicContact CZ-OD1 2.89Å; R694-D775 IonicContact CZ-OD2 2.75Å; R694-D775 IonicContact NH2-OD1 3.26Å; R694-D775 PolarHBondContact NH2-OD1 3.15Å; R694-D775 IonicContact NH2-OD2 3.2Å; R694-D775 PolarHBondContact NH2-OD2 2.86Å
695	L	92	Very high	87.2	Confident	5 Å²	5	44.6 Å²	44.6	3%	0.026	22%	0.224	C	C	.	.	H	α-helix	trans	-71.5	-42.5	-176.9	-166.9	148.4	0	0	0	111.7	F686 T691 T692 R693 Q698 F699 L952 L955 M956 K959 I987	F686-L695 HydrophobicContact CD1-CD1 4.16Å; F686-L695 HydrophobicContact CE1-CD1 3.35Å; F686-L695 HydrophobicContact CZ-CD1 4.14Å; T691-L695 VanDerWaalsContact O-CB 3.23Å; T691-L695 WeakPolarHBondContact O-CB 3.44Å; T691-L695 PolarHBondContact O-N 3.48Å; T692-L695 PolarHBondContact O-N 2.94Å; R693-L695 VanDerWaalsContact C-N 3.33Å; R693-L695 PolarHBondContact O-N 3.4Å; L695-Q698 PolarHBondContact O-N 3.47Å; L695-F699 WeakPolarHBondContact O-CB 3.44Å; L695-F699 PolarHBondContact O-N 3.29Å; L695-L952 HydrophobicContact CD2-CD1 3.15Å; L695-L952 HydrophobicContact CD2-CD2 4.48Å; L695-L952 HydrophobicContact CD2-CG 3.66Å; L695-L955 HydrophobicContact CD2-CD2 3.83Å; L695-L955 HydrophobicContact CG-CD2 3.88Å; L695-L955 HydrophobicContact CG-CG 4.45Å; L695-M956 HydrophobicContact CD1-CG 3.81Å; L695-M956 HydrophobicContact CD2-CG 4.36Å; L695-K959 HydrophobicContact CD1-CD 4.38Å; L695-I987 HydrophobicContact CD2-CD1 3.98Å
696	V	91.4	Very high	85.8	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.006	23%	0.23	C	C	.	.	H	α-helix	trans	-63.3	-44.8	174.4	171.7	0	0	0	0	110.3	T692 Q698 F699 L700 Q769 I984	T692-V696 HydrophobicContact CG2-CG2 4.26Å; T692-V696 WeakPolarHBondContact O-CB 3.46Å; T692-V696 WeakPolarHBondContact O-CG2 3.14Å; T692-V696 PolarHBondContact O-N 2.93Å; V696-Q698 PolarHBondContact O-N 3.39Å; V696-F699 WeakPolarHBondContact O-CB 3.48Å; V696-F699 PolarHBondContact O-N 3.12Å; V696-F699 VanDerWaalsContact O-N 3.14Å; V696-L700 HydrophobicContact CG1-CD1 4.04Å; V696-L700 HydrophobicContact CG1-CG 4.34Å; V696-L700 WeakPolarHBondContact O-CG 3.38Å; V696-L700 PolarHBondContact O-N 3.33Å; V696-Q769 HydrophobicContact CG1-CB 4.47Å; V696-Q769 HydrophobicContact CG1-CG 4.48Å; V696-I984 HydrophobicContact CG1-CB 4.29Å; V696-I984 HydrophobicContact CG1-CD1 4.31Å; V696-I984 HydrophobicContact CG2-CB 3.76Å; V696-I984 HydrophobicContact CG2-CD1 4.1Å; V696-I984 HydrophobicContact CG2-CG2 3.59Å
697	K	91.6	Very high	84	Confident	121 Å²	121	52.6 Å²	52.6	53%	0.526	26%	0.255	S	S	.	.	H	α-helix	trans	-57.1	-51.4	175.1	-177.4	176.8	179.8	176.9	0	111.4	R693 F699 L700 D701	R693-K697 WeakPolarHBondContact O-CB 3.39Å; R693-K697 PolarHBondContact O-N 3.44Å; K697-F699 PolarHBondContact O-N 3.27Å; K697-L700 PolarHBondContact O-N 3.32Å; K697-L700 VanDerWaalsContact O-N 3.16Å; K697-D701 PolarHBondContact O-N 3.33Å
698	Q	91.9	Very high	81.8	Confident	75 Å²	75	58.1 Å²	58.1	35%	0.35	28%	0.282	S	S	.	.	H	α-helix	trans	-55.6	-42.3	176	-179.9	177.2	12.1	0	0	111.6	R694 L695 V696 D701 T702 L955	R694-Q698 WeakPolarHBondContact O-CB 3.13Å; R694-Q698 PolarHBondContact O-N 3.36Å; L695-Q698 PolarHBondContact O-N 3.47Å; V696-Q698 PolarHBondContact O-N 3.39Å; Q698-D701 PolarHBondContact O-N 3.11Å; Q698-T702 VanDerWaalsContact O-CG2 3.27Å; Q698-T702 WeakPolarHBondContact O-CG2 3.39Å; Q698-T702 PolarHBondContact O-N 2.95Å; Q698-L955 HydrophobicContact CG-CD2 4.33Å
699	F	90.3	Very high	79.3	Confident	7 Å²	7	60.8 Å²	60.8	3%	0.031	31%	0.305	C	S	.	.	H	α-helix	trans	-64.8	-45	179	178.7	-118.9	0	0	0	112	L695 V696 K697 D701 T702 L703 L948 L952 L955	L695-F699 WeakPolarHBondContact O-CB 3.44Å; L695-F699 PolarHBondContact O-N 3.29Å; V696-F699 WeakPolarHBondContact O-CB 3.48Å; V696-F699 PolarHBondContact O-N 3.12Å; V696-F699 VanDerWaalsContact O-N 3.14Å; K697-F699 PolarHBondContact O-N 3.27Å; F699-D701 PolarHBondContact O-N 3.17Å; F699-T702 PolarHBondContact O-N 2.81Å; F699-T702 VanDerWaalsContact O-N 3.16Å; F699-T702 PolarHBondContact O-OG1 3.06Å; F699-L703 HydrophobicContact CD1-CD1 4.19Å; F699-L703 HydrophobicContact CE1-CD1 3.69Å; F699-L703 HydrophobicContact CE1-CG 4.43Å; F699-L703 HydrophobicContact CE2-CD1 4.38Å; F699-L703 HydrophobicContact CE2-CD2 4.31Å; F699-L703 HydrophobicContact CE2-CG 4.27Å; F699-L703 HydrophobicContact CZ-CD1 3.8Å; F699-L703 HydrophobicContact CZ-CD2 4.2Å; F699-L703 HydrophobicContact CZ-CG 4.15Å; F699-L703 PolarHBondContact O-N 2.69Å; F699-L703 VanDerWaalsContact O-N 3.1Å; F699-L948 HydrophobicContact CE1-CD2 3.7Å; F699-L948 HydrophobicContact CZ-CD2 4.31Å; F699-L952 HydrophobicContact CB-CD1 4.07Å; F699-L952 HydrophobicContact CD1-CD1 4.07Å; F699-L952 HydrophobicContact CG-CD1 4.07Å; F699-L955 HydrophobicContact CB-CD2 3.97Å
700	L	87.3	Confident	76.5	Confident	37 Å²	37	63.5 Å²	63.5	19%	0.194	32%	0.322	C	S	.	.	H	α-helix	trans	-61.5	-42	176.1	-67.3	174.4	0	0	0	112	V696 K697 T702 L703 S704 I767 Q769	V696-L700 HydrophobicContact CG1-CD1 4.04Å; V696-L700 HydrophobicContact CG1-CG 4.34Å; V696-L700 WeakPolarHBondContact O-CG 3.38Å; V696-L700 PolarHBondContact O-N 3.33Å; K697-L700 PolarHBondContact O-N 3.32Å; K697-L700 VanDerWaalsContact O-N 3.16Å; L700-T702 VanDerWaalsContact C-N 3.28Å; L700-T702 PolarHBondContact O-N 3.32Å; L700-L703 HydrophobicContact CD2-CD1 4.49Å; L700-L703 PolarHBondContact O-N 3.28Å; L700-L703 VanDerWaalsContact O-N 3.09Å; L700-S704 PolarHBondContact O-N 2.87Å; L700-I767 HydrophobicContact CD2-CB 3.89Å; L700-I767 HydrophobicContact CD2-CG2 3.68Å; L700-Q769 HydrophobicContact CD1-CB 4.34Å
701	D	87.1	Confident	73.4	Confident	80 Å²	80	70.5 Å²	70.5	43%	0.428	36%	0.359	S	S	.	.	H	α-helix	trans	-60.1	-39.9	174.8	-62.6	-24	0	0	0	111	K697 Q698 F699 L703 S704 E705	K697-D701 PolarHBondContact O-N 3.33Å; Q698-D701 PolarHBondContact O-N 3.11Å; F699-D701 PolarHBondContact O-N 3.17Å; D701-L703 VanDerWaalsContact C-N 3.3Å; D701-L703 PolarHBondContact O-N 3.15Å; D701-S704 PolarHBondContact O-N 2.94Å; D701-S704 PolarHBondContact O-OG 2.87Å; D701-E705 WeakPolarHBondContact O-CG 3.46Å; D701-E705 PolarHBondContact O-N 3.08Å
702	T	83.8	Confident	70.4	Confident	41 Å²	41	76.7 Å²	76.7	25%	0.252	39%	0.39	S	S	.	.	H	α-helix	trans	-71.8	-20	176.3	65.3	0	0	0	0	114.8	Q698 F699 L700 R706	Q698-T702 VanDerWaalsContact O-CG2 3.27Å; Q698-T702 WeakPolarHBondContact O-CG2 3.39Å; Q698-T702 PolarHBondContact O-N 2.95Å; F699-T702 PolarHBondContact O-N 2.81Å; F699-T702 VanDerWaalsContact O-N 3.16Å; F699-T702 PolarHBondContact O-OG1 3.06Å; L700-T702 VanDerWaalsContact C-N 3.28Å; L700-T702 PolarHBondContact O-N 3.32Å; T702-R706 WeakPolarHBondContact O-CG 3.5Å
703	L	78.3	Confident	67.5	Low	45 Å²	45	84.8 Å²	84.8	24%	0.236	43%	0.425	C	S	.	.	H	α-helix	trans	-79.5	-44.9	174.3	-71.3	175	0	0	0	110.2	F699 L700 D701 E705 R706 D707 I767	F699-L703 HydrophobicContact CD1-CD1 4.19Å; F699-L703 HydrophobicContact CE1-CD1 3.69Å; F699-L703 HydrophobicContact CE1-CG 4.43Å; F699-L703 HydrophobicContact CE2-CD1 4.38Å; F699-L703 HydrophobicContact CE2-CD2 4.31Å; F699-L703 HydrophobicContact CE2-CG 4.27Å; F699-L703 HydrophobicContact CZ-CD1 3.8Å; F699-L703 HydrophobicContact CZ-CD2 4.2Å; F699-L703 HydrophobicContact CZ-CG 4.15Å; F699-L703 PolarHBondContact O-N 2.69Å; F699-L703 VanDerWaalsContact O-N 3.1Å; L700-L703 HydrophobicContact CD2-CD1 4.49Å; L700-L703 PolarHBondContact O-N 3.28Å; L700-L703 VanDerWaalsContact O-N 3.09Å; D701-L703 VanDerWaalsContact C-N 3.3Å; D701-L703 PolarHBondContact O-N 3.15Å; L703-E705 VanDerWaalsContact C-N 3.31Å; L703-E705 PolarHBondContact O-N 2.83Å; L703-R706 WeakPolarHBondContact O-CB 3.38Å; L703-R706 PolarHBondContact O-N 3.06Å; L703-D707 PolarHBondContact O-N 3.21Å; L703-I767 HydrophobicContact CD1-CD1 4.39Å
704	S	73	Confident	64.3	Low	58 Å²	58	92.5 Å²	92.5	41%	0.406	46%	0.462	S	S	.	.	H	α-helix	trans	-63	-36.3	179.5	63.9	0	0	0	0	112.7	L700 D701 R706 D707 I708	L700-S704 PolarHBondContact O-N 2.87Å; D701-S704 PolarHBondContact O-N 2.94Å; D701-S704 PolarHBondContact O-OG 2.87Å; S704-R706 VanDerWaalsContact C-N 3.25Å; S704-R706 PolarHBondContact O-N 3.48Å; S704-D707 PolarHBondContact O-N 3.15Å; S704-I708 WeakPolarHBondContact O-CG1 3.39Å; S704-I708 PolarHBondContact O-N 2.84Å
705	E	68.3	Low	61	Low	142 Å²	142	96.8 Å²	96.8	66%	0.664	49%	0.486	S	S	*	.	H	α-helix	trans	-62	-29.8	173.1	-74.8	178.6	-178.6	0	0	113.3	D701 L703	D701-E705 WeakPolarHBondContact O-CG 3.46Å; D701-E705 PolarHBondContact O-N 3.08Å; L703-E705 VanDerWaalsContact C-N 3.31Å; L703-E705 PolarHBondContact O-N 2.83Å
706	R	59.2	Low	57.8	Low	164 Å²	164	104.8 Å²	104.8	62%	0.619	53%	0.529	S	S	*	.	H	α-helix	trans	-79	-36.9	178.4	-67.8	179.1	-160.8	-173.4	5.7	112.3	T702 L703 S704 I708 S709	T702-R706 WeakPolarHBondContact O-CG 3.5Å; L703-R706 WeakPolarHBondContact O-CB 3.38Å; L703-R706 PolarHBondContact O-N 3.06Å; S704-R706 VanDerWaalsContact C-N 3.25Å; S704-R706 PolarHBondContact O-N 3.48Å; R706-I708 VanDerWaalsContact C-N 3.3Å; R706-I708 PolarHBondContact O-N 3.44Å; R706-S709 WeakPolarHBondContact O-CB 3.38Å; R706-S709 PolarHBondContact O-N 2.87Å; R706-S709 VanDerWaalsContact O-N 3.11Å
707	D	50.3	Low	54.7	Low	111 Å²	111	110.3 Å²	110.3	59%	0.594	56%	0.557	S	S	*	*	H	α-helix	trans	-68.2	-31.3	-178.6	-68.7	-23.1	0	0	0	112	L703 S704 S709 T710	L703-D707 PolarHBondContact O-N 3.21Å; S704-D707 PolarHBondContact O-N 3.15Å; D707-S709 PolarHBondContact O-N 3.5Å; D707-T710 PolarHBondContact O-N 3.18Å; D707-T710 VanDerWaalsContact O-N 3.1Å; D707-T710 PolarHBondContact O-OG1 3.29Å; D707-T710 VanDerWaalsContact O-OG1 3.14Å
708	I	36.4	Very low	51.5	Low	144 Å²	144	109.7 Å²	109.7	74%	0.738	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.3	-21	174.6	-61.7	164.9	0	0	0	111.8	S704 R706 T710	S704-I708 WeakPolarHBondContact O-CG1 3.39Å; S704-I708 PolarHBondContact O-N 2.84Å; R706-I708 VanDerWaalsContact C-N 3.3Å; R706-I708 PolarHBondContact O-N 3.44Å; I708-T710 VanDerWaalsContact C-N 3.29Å; I708-T710 PolarHBondContact O-N 3.11Å
709	S	36	Very low	48.4	Very low	102 Å²	102	115.8 Å²	115.8	71%	0.713	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	-6.8	175.8	161.4	0	0	0	0	113.6	R706 D707	R706-S709 WeakPolarHBondContact O-CB 3.38Å; R706-S709 PolarHBondContact O-N 2.87Å; R706-S709 VanDerWaalsContact O-N 3.11Å; D707-S709 PolarHBondContact O-N 3.5Å
710	T	32.4	Very low	45.2	Very low	61 Å²	61	120.4 Å²	120.4	37%	0.374	63%	0.633	S	S	.	*			trans	-122.9	87.2	-177.1	45.6	0	0	0	0	111.6	D707 I708 L712 I760	D707-T710 PolarHBondContact O-N 3.18Å; D707-T710 VanDerWaalsContact O-N 3.1Å; D707-T710 PolarHBondContact O-OG1 3.29Å; D707-T710 VanDerWaalsContact O-OG1 3.14Å; I708-T710 VanDerWaalsContact C-N 3.29Å; I708-T710 PolarHBondContact O-N 3.11Å; T710-L712 PolarHBondContact O-N 2.84Å; T710-I760 HydrophobicContact CG2-CD1 4.49Å
711	D	25.5	Very low	42.3	Very low	149 Å²	149	122.7 Å²	122.7	80%	0.797	65%	0.652	S	S	*	*			trans	-62	93.7	168.9	-107	-27.6	0	0	0	110.6
712	L	28.9	Very low	39.3	Very low	153 Å²	153	122.2 Å²	122.2	80%	0.801	66%	0.659	S	S	*	*			trans	-131.4	81.5	165.9	-85.9	162.1	0	0	0	109.2	T710	T710-L712 PolarHBondContact O-N 2.84Å
713	K	27	Very low	36.4	Very low	176 Å²	176	126.3 Å²	126.3	77%	0.765	68%	0.679	S	S	*	*			trans	-66.1	135.1	166.9	-78.1	177.7	178	172.4	0	110.7
714	Q	25.6	Very low	33.9	Very low	177 Å²	177	130.1 Å²	130.1	83%	0.827	69%	0.694	S	S	*	*			trans	63.8	93.5	149.7	-66.6	175	-18.2	0	0	117.3
715	Q	25.4	Very low	31.7	Very low	184 Å²	184	131.7 Å²	131.7	86%	0.86	70%	0.701	S	S	*	*			trans	-126.3	124.5	141.3	-77.3	-169.9	-12.4	0	0	109.7	I717	Q715-I717 PolarHBondContact O-N 3.07Å
716	N	24	Very low	30	Very low	172 Å²	172	126.1 Å²	126.1	92%	0.92	68%	0.678	S	S	*	*			trans	-64.5	111.2	-179.7	-73.1	-37.9	0	0	0	110.1
717	I	26.7	Very low	28.9	Very low	117 Å²	117	119.5 Å²	119.5	60%	0.6	66%	0.656	S	S	*	*			trans	-92.2	120.1	177.9	-65.2	159.6	0	0	0	108.9	Q715 N763	Q715-I717 PolarHBondContact O-N 3.07Å; I717-N763 WeakPolarHBondContact CD1-ND2 3.49Å
718	S	25.2	Very low	28.2	Very low	108 Å²	108	115.7 Å²	115.7	76%	0.755	64%	0.635	S	S	*	*			trans	-66.2	128.6	174.6	46.5	0	0	0	0	110.8	A720	S718-A720 PolarHBondContact O-N 3.02Å
719	K	24.9	Very low	28	Very low	203 Å²	203	110.1 Å²	110.1	88%	0.883	61%	0.607	S	S	*	*			trans	-71.3	89.2	178.4	-67.7	176.7	176	-179.6	0	110.7	S721	K719-S721 VanDerWaalsContact C-N 3.32Å; K719-S721 PolarHBondContact O-N 3Å
720	A	24.1	Very low	27.5	Very low	105 Å²	105	107.2 Å²	107.2	87%	0.868	59%	0.587	S	S	*	*			trans	-87.3	80.3	158.9	0	0	0	0	0	108.5	S718	S718-A720 PolarHBondContact O-N 3.02Å
721	S	25.4	Very low	27.3	Very low	84 Å²	84	110.4 Å²	110.4	59%	0.587	59%	0.592	S	S	*	*			trans	-104.1	121.3	175.5	150.9	0	0	0	0	108.2	K719	K719-S721 VanDerWaalsContact C-N 3.32Å; K719-S721 PolarHBondContact O-N 3Å
722	A	23.9	Very low	27.3	Very low	71 Å²	71	111.3 Å²	111.3	59%	0.587	59%	0.585	S	S	*	*			trans	171.9	134.9	137.6	0	0	0	0	0	112
723	L	23.6	Very low	27.1	Very low	127 Å²	127	113.4 Å²	113.4	67%	0.665	59%	0.587	S	S	*	*			trans	74.1	93.4	157.9	-58.8	165.1	0	0	0	117.7
724	F	27	Very low	27.1	Very low	124 Å²	124	111.5 Å²	111.5	54%	0.544	59%	0.59	S	S	.	*			trans	-143.7	111.1	163.5	-76.8	-68.6	0	0	0	111.3	S730 I973	F724-S730 VanDerWaalsContact CD1-CB 3.49Å; F724-S730 WeakPolarHBondContact CD1-OG 3.33Å; F724-S730 WeakPolarHBondContact CE1-OG 3.4Å; F724-I973 HydrophobicContact CB-CD1 4.39Å
725	T	25.6	Very low	27	Very low	91 Å²	91	109.7 Å²	109.7	56%	0.558	59%	0.585	S	S	*	*			trans	-106.9	127.5	172.1	-30	0	0	0	0	108.8	N1154	T725-N1154 PolarHBondContact O-ND2 2.98Å; T725-N1154 PolarHBondContact O-OD1 3.48Å
726	S	32.3	Very low	27	Very low	26 Å²	26	108.6 Å²	108.6	18%	0.182	58%	0.58	C	S	.	*			trans	60.1	117.8	-175.5	89.5	0	0	0	0	116.4	I728 N1154	S726-I728 PolarHBondContact O-N 2.98Å; S726-I728 VanDerWaalsContact O-N 3.16Å; S726-N1154 PolarHBondContact O-ND2 3.12Å; S726-N1154 PolarHBondContact OG-ND2 2.94Å
727	V	37.3	Very low	27.1	Very low	25 Å²	25	107.3 Å²	107.3	15%	0.152	57%	0.573	C	S	.	*	T	Hydrogen-bonded Turn	trans	-73.1	-5.3	-168.8	169.5	0	0	0	0	113.6	T729 S939 T971 I973	V727-T729 VanDerWaalsContact C-N 3.35Å; V727-T729 PolarHBondContact O-N 3.3Å; V727-S939 WeakPolarHBondContact CG1-O 3.3Å; V727-T971 HydrophobicContact CG1-CG2 4.03Å; V727-I973 HydrophobicContact CG2-CG1 4.49Å
728	I	34.3	Very low	27	Very low	30 Å²	30	106.7 Å²	106.7	15%	0.154	58%	0.575	C	S	.	*	T	Hydrogen-bonded Turn	trans	-76.5	-15.7	-172.2	-64.6	179.5	0	0	0	113	S726 T899 L1108	S726-I728 PolarHBondContact O-N 2.98Å; S726-I728 VanDerWaalsContact O-N 3.16Å; I728-T899 HydrophobicContact CD1-CG2 4.4Å; I728-T899 HydrophobicContact CG1-CG2 4.23Å; I728-L1108 HydrophobicContact CG2-CD2 4.39Å
729	T	32.1	Very low	27.1	Very low	27 Å²	27	112.5 Å²	112.5	17%	0.166	58%	0.58	C	S	.	*	S	Bend	trans	-142.5	23.9	-165.6	61.9	0	0	0	0	119.5	V727 I1151 N1154 Q1158	V727-T729 VanDerWaalsContact C-N 3.35Å; V727-T729 PolarHBondContact O-N 3.3Å; T729-I1151 HydrophobicContact CG2-CB 3.77Å; T729-I1151 HydrophobicContact CG2-CD1 3.52Å; T729-I1151 HydrophobicContact CG2-CG1 3.38Å; T729-I1151 HydrophobicContact CG2-CG2 3.81Å; T729-N1154 VanDerWaalsContact OG1-CB 3.25Å; T729-N1154 WeakPolarHBondContact OG1-CB 3.47Å; T729-N1154 PolarHBondContact OG1-ND2 3.3Å; T729-Q1158 PolarHBondContact O-NE2 3.21Å
730	S	26.4	Very low	27.2	Very low	42 Å²	42	108.7 Å²	108.7	29%	0.294	57%	0.574	S	S	.	*			trans	-118.4	85.9	175.6	59.8	0	0	0	0	114.5	F724	F724-S730 VanDerWaalsContact CD1-CB 3.49Å; F724-S730 WeakPolarHBondContact CD1-OG 3.33Å; F724-S730 WeakPolarHBondContact CE1-OG 3.4Å
731	R	28.9	Very low	27.3	Very low	127 Å²	127	110.7 Å²	110.7	48%	0.479	57%	0.57	S	S	.	*			trans	-108.6	108.7	152.1	-84.3	-175	171.7	-158.5	-14.2	109.3	K733 E1017	R731-K733 PolarHBondContact O-N 2.98Å; R731-E1017 IonicContact NH1-OE1 2.77Å; R731-E1017 PolarHBondContact NH1-OE1 2.59Å
732	R	24.9	Very low	27.4	Very low	169 Å²	169	116 Å²	116	64%	0.638	58%	0.583	S	S	*	*			trans	-47.5	128.9	153.9	-94.9	178	165.7	167.9	-8.9	107.1	V734 E1165	R732-V734 PolarHBondContact O-N 3.4Å; R732-E1165 IonicContact NH2-OE1 3.52Å; R732-E1165 PolarHBondContact NH2-OE1 3.22Å; R732-E1165 VanDerWaalsContact NH2-OE1 3.13Å
733	K	25.1	Very low	27.5	Very low	196 Å²	196	120.3 Å²	120.3	85%	0.852	60%	0.595	S	S	*	*			trans	-52	111.7	157.4	-81.6	-177.8	174.8	179.3	0	105.3	R731 I735	R731-K733 PolarHBondContact O-N 2.98Å; K733-I735 VanDerWaalsContact C-N 3.25Å; K733-I735 PolarHBondContact O-N 3.06Å
734	V	26.5	Very low	27.7	Very low	136 Å²	136	119.8 Å²	119.8	82%	0.824	60%	0.596	S	S	*	*			trans	-58.2	102.9	165.9	176.1	0	0	0	0	103.9	R732 E736	R732-V734 PolarHBondContact O-N 3.4Å; V734-E736 PolarHBondContact O-N 2.68Å
735	I	24.5	Very low	27.6	Very low	139 Å²	139	123.1 Å²	123.1	71%	0.713	61%	0.614	S	S	*	*			trans	-56.5	116.2	170.9	-67.6	172	0	0	0	103.8	K733 D737	K733-I735 VanDerWaalsContact C-N 3.25Å; K733-I735 PolarHBondContact O-N 3.06Å; I735-D737 VanDerWaalsContact C-N 3.3Å; I735-D737 PolarHBondContact O-N 3.35Å
736	E	25.1	Very low	27.7	Very low	161 Å²	161	121.9 Å²	121.9	75%	0.752	62%	0.619	S	S	*	*			trans	-54	101.5	171.2	-72.4	179	149.2	0	0	106.5	V734 T738	V734-E736 PolarHBondContact O-N 2.68Å; E736-T738 HydrophobicContact CB-CG2 4.1Å; E736-T738 PolarHBondContact O-N 3.35Å
737	D	25.3	Very low	27.5	Very low	145 Å²	145	129.3 Å²	129.3	78%	0.775	65%	0.648	S	S	*	*			trans	-65.7	83.1	161.9	-104.6	-21.6	0	0	0	105.8	I735 R739	I735-D737 VanDerWaalsContact C-N 3.3Å; I735-D737 PolarHBondContact O-N 3.35Å; D737-R739 PolarHBondContact O-N 3.07Å
738	T	25.5	Very low	27	Very low	104 Å²	104	130.9 Å²	130.9	64%	0.638	67%	0.669	S	S	*	*			trans	-68.4	66.3	169.7	48.2	0	0	0	0	108.7	E736	E736-T738 HydrophobicContact CB-CG2 4.1Å; E736-T738 PolarHBondContact O-N 3.35Å
739	R	27.1	Very low	26.7	Very low	231 Å²	231	139.2 Å²	139.2	87%	0.872	71%	0.705	S	S	*	*			trans	-138.6	39.9	166.4	-79.2	-164.5	176.5	-179.3	1.4	111.7	D737	D737-R739 PolarHBondContact O-N 3.07Å
740	T	26.1	Very low	26.6	Very low	123 Å²	123	145.5 Å²	145.5	76%	0.755	73%	0.73	S	S	*	*			trans	-142.4	36.4	163.9	49.1	0	0	0	0	112.8	K742	T740-K742 VanDerWaalsContact C-N 3.3Å; T740-K742 PolarHBondContact O-N 3.46Å
741	N	26.4	Very low	26.8	Very low	146 Å²	146	151.8 Å²	151.8	78%	0.781	75%	0.752	S	S	*	*			trans	-88.8	26.5	173.1	-92.3	-5.9	0	0	0	114.9
742	K	27.9	Very low	27	Very low	197 Å²	197	154.6 Å²	154.6	86%	0.857	77%	0.767	S	S	*	*	S	Bend	trans	-137.1	76.5	167.7	-75.5	-170.6	178.2	-178.6	0	109.9	T740	T740-K742 VanDerWaalsContact C-N 3.3Å; T740-K742 PolarHBondContact O-N 3.46Å
743	L	26.6	Very low	27.4	Very low	161 Å²	161	154.6 Å²	154.6	84%	0.843	77%	0.772	S	S	*	*			trans	-171.4	37.2	156.5	-99.2	161.1	0	0	0	110.9
744	V	27	Very low	27.5	Very low	115 Å²	115	148.6 Å²	148.6	70%	0.697	75%	0.75	S	S	*	*			trans	-101.3	75.1	170.8	-174.1	0	0	0	0	108.1
745	E	25.1	Very low	27.7	Very low	195 Å²	195	148.3 Å²	148.3	91%	0.911	74%	0.743	S	S	*	*	S	Bend	trans	-168.7	90.3	159.6	-110	172.8	-155.1	0	0	107.6
746	G	27.3	Very low	28.1	Very low	64 Å²	64	146.4 Å²	146.4	66%	0.66	73%	0.734	S	S	*	*			trans	155.1	26.7	-179.4	0	0	0	0	0	116.4	G748	G746-G748 PolarHBondContact O-N 2.95Å
747	F	27.8	Very low	28.2	Very low	182 Å²	182	146.2 Å²	146.2	80%	0.798	73%	0.731	S	S	*	*			trans	-80.9	70.1	175.4	-83.1	-83.9	0	0	0	111.3
748	G	26.4	Very low	28.3	Very low	58 Å²	58	145 Å²	145	60%	0.598	73%	0.728	S	S	*	*			trans	-125.9	107.7	171.5	0	0	0	0	0	111	G746	G746-G748 PolarHBondContact O-N 2.95Å
749	K	29.9	Very low	28.7	Very low	206 Å²	206	143.2 Å²	143.2	90%	0.896	72%	0.717	S	S	*	*			trans	70.9	63.9	164.8	-55.9	178	178.7	174.5	0	117.4
750	F	28.3	Very low	28.8	Very low	158 Å²	158	136.5 Å²	136.5	69%	0.693	70%	0.697	S	S	*	*			trans	-79.4	119.9	157.5	-88.3	-81.1	0	0	0	110.7	D754	F750-D754 HydrophobicContact CD1-CB 3.77Å; F750-D754 WeakPolarHBondContact CD1-OD2 3.23Å; F750-D754 HydrophobicContact CE1-CB 4.31Å
751	K	30.8	Very low	29	Very low	175 Å²	175	133.7 Å²	133.7	76%	0.761	69%	0.693	S	S	*	*			trans	-71.5	141.4	174.3	-75.5	178.3	177.8	174.2	0	108.8	K753 D754	K751-K753 PolarHBondContact O-N 3.3Å; K751-D754 PolarHBondContact O-N 2.59Å
752	K	34.6	Very low	29.6	Very low	185 Å²	185	132.4 Å²	132.4	80%	0.804	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-39.5	-26.7	-176.3	-150.9	175.5	-177	-178.4	0	116.6	D754	K752-D754 PolarHBondContact O-N 2.86Å
753	K	31.6	Very low	30.4	Very low	170 Å²	170	128.7 Å²	128.7	74%	0.739	67%	0.672	S	S	*	*	H	α-helix	trans	-68.9	-25.9	178.5	-78.2	-171.2	171.6	-173.2	0	115.1	K751	K751-K753 PolarHBondContact O-N 3.3Å
754	D	28.5	Very low	31.6	Very low	70 Å²	70	125 Å²	125	37%	0.374	65%	0.647	S	S	.	*	H	α-helix	trans	-83.6	-24	-178.5	-65.5	-38.9	0	0	0	112.4	F750 K751 K752 K757 V758	F750-D754 HydrophobicContact CD1-CB 3.77Å; F750-D754 WeakPolarHBondContact CD1-OD2 3.23Å; F750-D754 HydrophobicContact CE1-CB 4.31Å; K751-D754 PolarHBondContact O-N 2.59Å; K752-D754 PolarHBondContact O-N 2.86Å; D754-K757 PolarHBondContact O-N 2.72Å; D754-V758 PolarHBondContact O-N 2.93Å
755	L	31	Very low	33.1	Very low	130 Å²	130	124.4 Å²	124.4	68%	0.681	63%	0.632	S	S	*	*	H	α-helix	trans	-69.4	-36.9	173.5	-150.6	78.2	0	0	0	111.3	K757 V758 V759	L755-K757 VanDerWaalsContact C-N 3.27Å; L755-K757 PolarHBondContact O-N 3.08Å; L755-V758 PolarHBondContact O-N 2.87Å; L755-V759 VanDerWaalsContact O-CG2 3.31Å; L755-V759 WeakPolarHBondContact O-CG2 3.29Å; L755-V759 PolarHBondContact O-N 2.86Å
756	D	32.5	Very low	35	Very low	98 Å²	98	117.3 Å²	117.3	52%	0.524	60%	0.603	S	S	.	*	H	α-helix	trans	-64.1	-34.3	175.3	-65.7	-25.1	0	0	0	111.1	I760	D756-I760 WeakPolarHBondContact O-CD1 3.34Å; D756-I760 WeakPolarHBondContact O-CG1 3.09Å; D756-I760 PolarHBondContact O-N 2.68Å
757	K	27	Very low	37.3	Very low	158 Å²	158	116.2 Å²	116.2	69%	0.687	58%	0.582	S	S	*	*	H	α-helix	trans	-73.6	-34.8	-179.3	-74.3	-175	175.8	-176	0	114.3	D754 L755 V759	D754-K757 PolarHBondContact O-N 2.72Å; L755-K757 VanDerWaalsContact C-N 3.27Å; L755-K757 PolarHBondContact O-N 3.08Å; K757-V759 VanDerWaalsContact C-N 3.35Å
758	V	28	Very low	39.8	Very low	118 Å²	118	110.6 Å²	110.6	72%	0.715	56%	0.558	S	S	*	*	H	α-helix	trans	-76.3	-25.9	179.9	178.2	0	0	0	0	111.6	D754 L755	D754-V758 PolarHBondContact O-N 2.93Å; L755-V758 PolarHBondContact O-N 2.87Å
759	V	32.3	Very low	42.8	Very low	68 Å²	68	109.8 Å²	109.8	41%	0.412	54%	0.539	S	S	.	.	H	α-helix	trans	-82.7	-24.8	-178.6	177.2	0	0	0	0	113.1	L755 K757 G761 Y764	L755-V759 VanDerWaalsContact O-CG2 3.31Å; L755-V759 WeakPolarHBondContact O-CG2 3.29Å; L755-V759 PolarHBondContact O-N 2.86Å; K757-V759 VanDerWaalsContact C-N 3.35Å; V759-G761 VanDerWaalsContact C-N 3.33Å; V759-G761 PolarHBondContact O-N 3.27Å; V759-Y764 WeakPolarHBondContact CG1-OH 2.98Å
760	I	30.5	Very low	45.8	Very low	89 Å²	89	100 Å²	100	46%	0.456	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-18.9	-178.1	-64	163.1	0	0	0	112.6	T710 D756 Q762	T710-I760 HydrophobicContact CG2-CD1 4.49Å; D756-I760 WeakPolarHBondContact O-CD1 3.34Å; D756-I760 WeakPolarHBondContact O-CG1 3.09Å; D756-I760 PolarHBondContact O-N 2.68Å; I760-Q762 VanDerWaalsContact C-N 3.31Å; I760-Q762 PolarHBondContact O-N 3.1Å
761	G	29.8	Very low	49	Very low	64 Å²	64	94.1 Å²	94.1	66%	0.66	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-10.5	-179.6	0	0	0	0	0	115.6	V759	V759-G761 VanDerWaalsContact C-N 3.33Å; V759-G761 PolarHBondContact O-N 3.27Å
762	Q	39.7	Very low	52	Low	119 Å²	119	86.7 Å²	86.7	56%	0.556	45%	0.447	S	S	*	.	S	Bend	trans	-90.4	107.8	174.2	-71.7	-170.3	-10	0	0	109	I760 Y764	I760-Q762 VanDerWaalsContact C-N 3.31Å; I760-Q762 PolarHBondContact O-N 3.1Å; Q762-Y764 VanDerWaalsContact O-CD2 3.23Å; Q762-Y764 WeakPolarHBondContact O-CD2 3.33Å; Q762-Y764 PolarHBondContact O-N 3.42Å
763	N	43	Very low	55	Low	120 Å²	120	80.5 Å²	80.5	64%	0.642	42%	0.423	S	S	*	.			trans	-42.1	94.6	175	-63.1	-29.4	0	0	0	111.8	I717 W765	I717-N763 WeakPolarHBondContact CD1-ND2 3.49Å; N763-W765 PolarHBondContact O-N 3.22Å
764	Y	51.8	Low	58	Low	84 Å²	84	74.6 Å²	74.6	33%	0.329	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-73	128.1	170.2	-70.3	-78.5	0	0	0	108.2	V759 Q762 N947	V759-Y764 WeakPolarHBondContact CG1-OH 2.98Å; Q762-Y764 VanDerWaalsContact O-CD2 3.23Å; Q762-Y764 WeakPolarHBondContact O-CD2 3.33Å; Q762-Y764 PolarHBondContact O-N 3.42Å; Y764-N947 WeakPolarHBondContact CE1-ND2 3.19Å; Y764-N947 PolarHBondContact OH-ND2 3.36Å
765	W	59.9	Low	61.1	Low	101 Å²	101	73.7 Å²	73.7	38%	0.383	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-60.9	147.6	175	-60.8	106	0	0	0	111	N763 I767 W944 E979 Q980	N763-W765 PolarHBondContact O-N 3.22Å; W765-I767 PolarHBondContact O-N 3.21Å; W765-W944 HydrophobicContact CB-CD2 4.3Å; W765-W944 HydrophobicContact CB-CE3 4.18Å; W765-W944 HydrophobicContact CB-CH2 3.26Å; W765-W944 HydrophobicContact CB-CZ2 3.45Å; W765-W944 VanDerWaalsContact CB-CZ2 3.45Å; W765-W944 HydrophobicContact CB-CZ3 3.68Å; W765-W944 AromaticContact CD1-CE3 3.88Å; W765-W944 AromaticContact CD1-CZ3 3.84Å; W765-W944 HydrophobicContact CG-CE3 4.38Å; W765-W944 HydrophobicContact CG-CH2 4.05Å; W765-W944 AromaticContact CG-CZ3 3.99Å; W765-W944 HydrophobicContact CG-CZ3 3.99Å; W765-W944 WeakPolarHBondContact O-CZ2 2.94Å; W765-E979 HydrophobicContact CE3-CB 4.25Å; W765-E979 HydrophobicContact CZ3-CB 4.18Å; W765-E979 HydrophobicContact CZ3-CG 4.2Å; W765-Q980 WeakPolarHBondContact CB-O 3.16Å; W765-Q980 HydrophobicContact CD2-CB 4.49Å
766	P	64.2	Low	64.2	Low	46 Å²	46	67.5 Å²	67.5	30%	0.299	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-60.3	127.2	-177.7	22.2	-30.9	0	0	0	111
767	I	74.8	Confident	67.3	Low	41 Å²	41	68.4 Å²	68.4	21%	0.21	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	124.8	171.5	-53.4	120.4	0	0	0	107.7	L700 L703 W765 W944 L948	L700-I767 HydrophobicContact CD2-CB 3.89Å; L700-I767 HydrophobicContact CD2-CG2 3.68Å; L703-I767 HydrophobicContact CD1-CD1 4.39Å; W765-I767 PolarHBondContact O-N 3.21Å; I767-W944 HydrophobicContact CG1-CZ2 4.08Å; I767-W944 VanDerWaalsContact CG1-NE1 3.26Å; I767-L948 HydrophobicContact CD1-CD2 3.53Å; I767-L948 HydrophobicContact CD1-CG 4.5Å; I767-L948 HydrophobicContact CG1-CD1 4.02Å; I767-L948 HydrophobicContact CG1-CD2 3.77Å; I767-L948 HydrophobicContact CG1-CG 4.46Å; I767-L948 HydrophobicContact CG2-CD1 4.43Å; I767-L948 HydrophobicContact CG2-CD2 4.34Å
768	E	82	Confident	70.6	Confident	64 Å²	64	64.5 Å²	64.5	30%	0.299	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	157.7	179.2	-65.9	179.1	-179.8	0	0	109.5	K977 I981	E768-K977 IonicContact OE1-NZ 2.77Å; E768-K977 PolarHBondContact OE1-NZ 2.75Å; E768-K977 IonicContact OE2-NZ 3.66Å; E768-K977 PolarHBondContact OE2-NZ 3.45Å; E768-I981 HydrophobicContact CB-CG2 4.41Å
769	Q	88.3	Confident	73.9	Confident	42 Å²	42	61.9 Å²	61.9	20%	0.196	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-93.3	140.2	166.1	-172.5	171.5	75.1	0	0	108.2	R693 V696 L700	R693-Q769 VanDerWaalsContact CA-NE2 3.3Å; R693-Q769 PolarHBondContact O-NE2 2.97Å; V696-Q769 HydrophobicContact CG1-CB 4.47Å; V696-Q769 HydrophobicContact CG1-CG 4.48Å; L700-Q769 HydrophobicContact CD1-CB 4.34Å
770	P	93.2	Very high	77	Confident	1 Å²	1	64 Å²	64	1%	0.006	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-53	132	171.5	19.1	-32.4	0	0	0	110.1	R693 G772 E890 A891 W983	R693-P770 PolarHBondContact NH1-O 3.26Å; R693-P770 PolarHBondContact NH2-O 3.3Å; P770-G772 PolarHBondContact O-N 2.63Å; P770-E890 HydrophobicContact CB-CG 3.7Å; P770-E890 HydrophobicContact CG-CG 3.61Å; P770-A891 HydrophobicContact CB-CB 4.48Å; P770-W983 HydrophobicContact CB-CD2 3.98Å; P770-W983 HydrophobicContact CB-CE3 3.61Å; P770-W983 HydrophobicContact CB-CH2 4.24Å; P770-W983 HydrophobicContact CB-CZ3 3.74Å; P770-W983 HydrophobicContact CG-CE3 4.31Å
771	P	95	Very high	80.2	Confident	33 Å²	33	62.9 Å²	62.9	21%	0.214	33%	0.329	C	S	.	.	S	Bend	trans	-48.7	144.4	171.9	-29.2	34.9	0	0	0	111.4	I796 W799 A891	P771-I796 HydrophobicContact CB-CD1 4.35Å; P771-I796 HydrophobicContact CG-CD1 3.81Å; P771-W799 HydrophobicContact CB-CH2 4.1Å; P771-W799 HydrophobicContact CB-CZ3 4.43Å; P771-A891 HydrophobicContact CB-CB 3.89Å; P771-A891 HydrophobicContact CG-CB 4.17Å; P771-A891 VanDerWaalsContact O-CB 3.24Å; P771-A891 WeakPolarHBondContact O-CB 3.35Å; P771-A891 PolarHBondContact O-N 2.87Å
772	G	95.5	Very high	83.4	Confident	20 Å²	20	59.9 Å²	59.9	21%	0.206	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	150.8	-174	-178.8	0	0	0	0	0	112.6	R693 P770 I889	R693-G772 PolarHBondContact NH2-O 2.84Å; P770-G772 PolarHBondContact O-N 2.63Å; G772-I889 VanDerWaalsContact CA-O 3.3Å; G772-I889 WeakPolarHBondContact CA-O 3.4Å
773	D	96	Very high	86.2	Confident	55 Å²	55	56.7 Å²	56.7	29%	0.294	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	168.1	-171.7	-157.8	5	0	0	0	110.4	T785 L789 V888 I889	D773-T785 HydrophobicContact CB-CG2 3.49Å; D773-T785 VanDerWaalsContact CB-CG2 3.49Å; D773-T785 VanDerWaalsContact OD2-CG2 3.32Å; D773-T785 WeakPolarHBondContact OD2-CG2 3.48Å; D773-L789 HydrophobicContact CB-CD1 4.28Å; D773-V888 WeakPolarHBondContact O-CA 3.47Å; D773-I889 PolarHBondContact N-O 3.34Å; D773-I889 VanDerWaalsContact N-O 3.16Å; D773-I889 PolarHBondContact O-N 3.03Å
774	F	95	Very high	88.8	Confident	46 Å²	46	55.8 Å²	55.8	20%	0.202	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	176.1	-177.5	58.5	-91.3	0	0	0	111.8	R693 R694 G887 V888	R693-F774 HydrophobicContact CB-CD1 3.89Å; R693-F774 HydrophobicContact CB-CE1 4.2Å; R693-F774 HydrophobicContact CG-CD1 4.47Å; R694-F774 HydrophobicContact CG-CE2 3.83Å; R694-F774 HydrophobicContact CG-CZ 3.75Å; F774-G887 CarbonylContact C-O 3.34Å; F774-G887 WeakPolarHBondContact CA-O 3.4Å; F774-V888 HydrophobicContact CB-CB 4.48Å; F774-V888 HydrophobicContact CB-CG1 4.41Å; F774-V888 HydrophobicContact CB-CG2 3.8Å
775	D	94.2	Very high	91	Very high	51 Å²	51	52.4 Å²	52.4	27%	0.273	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	63.7	38.5	-176.4	-69.8	-28.9	0	0	0	114	R694 Y777 G887	R694-D775 IonicContact CZ-OD1 2.89Å; R694-D775 IonicContact CZ-OD2 2.75Å; R694-D775 IonicContact NH2-OD1 3.26Å; R694-D775 PolarHBondContact NH2-OD1 3.15Å; R694-D775 IonicContact NH2-OD2 3.2Å; R694-D775 PolarHBondContact NH2-OD2 2.86Å; D775-Y777 VanDerWaalsContact C-CE2 3.44Å; D775-Y777 HydrophobicContact CB-CE2 3.74Å; D775-Y777 WeakPolarHBondContact O-CD2 3.4Å; D775-Y777 WeakPolarHBondContact O-CE2 3.45Å; D775-Y777 PolarHBondContact OD1-OH 3.41Å; D775-G887 PolarHBondContact N-O 3.07Å
776	I	96.6	Very high	92.8	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	116.7	-180	-54.6	172.3	0	0	0	110.4	L782 T785 F882 L883 G886 G887 I889	I776-L782 HydrophobicContact CG2-CB 3.73Å; I776-L782 HydrophobicContact CG2-CD1 4.28Å; I776-T785 HydrophobicContact CD1-CG2 4.01Å; I776-F882 HydrophobicContact CB-CE1 4.05Å; I776-F882 HydrophobicContact CD1-CZ 4.47Å; I776-F882 HydrophobicContact CG2-CE1 4.02Å; I776-L883 HydrophobicContact CG2-CD2 4.26Å; I776-G886 WeakPolarHBondContact O-CA 3.48Å; I776-G887 PolarHBondContact N-O 3.06Å; I776-G887 PolarHBondContact O-N 3.24Å; I776-I889 HydrophobicContact CD1-CD1 3.28Å; I776-I889 HydrophobicContact CD1-CG1 3.67Å
777	Y	96.7	Very high	94.4	Very high	117 Å²	117	45.4 Å²	45.4	46%	0.459	23%	0.228	S	C	.	.			trans	-124.9	-8.4	-174.1	-60.7	-81.9	0	0	0	115.1	D775	D775-Y777 VanDerWaalsContact C-CE2 3.44Å; D775-Y777 HydrophobicContact CB-CE2 3.74Å; D775-Y777 WeakPolarHBondContact O-CD2 3.4Å; D775-Y777 WeakPolarHBondContact O-CE2 3.45Å; D775-Y777 PolarHBondContact OD1-OH 3.41Å
778	T	97.3	Very high	95.5	Very high	75 Å²	75	45.4 Å²	45.4	46%	0.46	23%	0.232	S	C	.	.	S	Bend	trans	-126.1	153.4	178.1	67.2	0	0	0	0	111.3	H781 L782 L883	T778-H781 WeakPolarHBondContact OG1-CB 3.44Å; T778-H781 PolarHBondContact OG1-N 3.06Å; T778-L782 WeakPolarHBondContact O-CB 3.16Å; T778-L782 PolarHBondContact O-N 2.61Å; T778-L883 WeakPolarHBondContact O-CD2 3.48Å
779	M	97	Very high	96.2	Very high	64 Å²	64	43 Å²	43	32%	0.315	22%	0.221	S	C	.	.	H	α-helix	trans	-62.3	-43.8	177.8	-75.9	-59.5	-59.2	0	0	111.8	H781 L782 Y783 I879 L883	M779-H781 PolarHBondContact O-N 3.49Å; M779-L782 WeakPolarHBondContact O-CB 3.32Å; M779-L782 PolarHBondContact O-N 2.8Å; M779-Y783 HydrophobicContact CE-CD1 4.45Å; M779-Y783 HydrophobicContact CE-CE1 3.42Å; M779-Y783 VanDerWaalsContact CE-CE1 3.42Å; M779-Y783 HydrophobicContact CE-CE2 4.2Å; M779-Y783 WeakPolarHBondContact CE-OH 3.25Å; M779-Y783 WeakPolarHBondContact O-CD2 3.27Å; M779-Y783 VanDerWaalsContact O-CG 3.29Å; M779-Y783 PolarHBondContact O-N 3.5Å; M779-I879 HydrophobicContact CE-CG2 4.2Å; M779-I879 HydrophobicContact SD-CG2 3.42Å; M779-I879 WeakPolarHBondContact SD-CG2 3.44Å; M779-L883 HydrophobicContact CB-CD1 4.32Å; M779-L883 HydrophobicContact CG-CD1 3.5Å; M779-L883 VanDerWaalsContact CG-CD1 3.5Å; M779-L883 HydrophobicContact SD-CD1 3.34Å; M779-L883 WeakPolarHBondContact SD-CD1 3.32Å; M779-L883 HydrophobicContact SD-CG 4.36Å
780	D	97.1	Very high	96.6	Very high	113 Å²	113	41 Å²	41	60%	0.604	21%	0.212	S	C	*	.	H	α-helix	trans	-63	-44.6	-179.2	-57.8	-34.9	0	0	0	111.1	L782 Y783 E784	D780-L782 VanDerWaalsContact C-N 3.33Å; D780-L782 PolarHBondContact O-N 2.86Å; D780-Y783 PolarHBondContact O-N 2.75Å; D780-Y783 VanDerWaalsContact O-N 3.15Å; D780-E784 WeakPolarHBondContact O-CG 3.42Å; D780-E784 PolarHBondContact O-N 2.77Å
781	H	97.2	Very high	96.8	Very high	65 Å²	65	41 Å²	41	30%	0.301	21%	0.212	S	C	.	.	H	α-helix	trans	-63.3	-39.9	176.2	-174.4	38.8	0	0	0	111.7	T778 M779 Y783 E784 T785	T778-H781 WeakPolarHBondContact OG1-CB 3.44Å; T778-H781 PolarHBondContact OG1-N 3.06Å; M779-H781 PolarHBondContact O-N 3.49Å; H781-Y783 VanDerWaalsContact C-N 3.33Å; H781-Y783 PolarHBondContact O-N 2.61Å; H781-E784 PolarHBondContact O-N 3.01Å; H781-T785 PolarHBondContact CE1-OG1 2.91Å; H781-T785 PolarHBondContact ND1-OG1 3.05Å; H781-T785 VanDerWaalsContact O-CB 3.23Å; H781-T785 WeakPolarHBondContact O-CB 3.5Å; H781-T785 PolarHBondContact O-N 2.78Å; H781-T785 PolarHBondContact O-OG1 2.8Å
782	L	97.8	Very high	96.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-58.1	-44.9	173.3	174.1	59.8	0	0	0	111.7	I776 T778 M779 D780 L786 L801 L860 I879 F882 L883 I889	I776-L782 HydrophobicContact CG2-CB 3.73Å; I776-L782 HydrophobicContact CG2-CD1 4.28Å; T778-L782 WeakPolarHBondContact O-CB 3.16Å; T778-L782 PolarHBondContact O-N 2.61Å; M779-L782 WeakPolarHBondContact O-CB 3.32Å; M779-L782 PolarHBondContact O-N 2.8Å; D780-L782 VanDerWaalsContact C-N 3.33Å; D780-L782 PolarHBondContact O-N 2.86Å; L782-L786 HydrophobicContact CD1-CD1 3.68Å; L782-L786 HydrophobicContact CD1-CG 3.97Å; L782-L786 HydrophobicContact CG-CD1 4Å; L782-L786 WeakPolarHBondContact O-CB 3.49Å; L782-L786 VanDerWaalsContact O-CG 3.29Å; L782-L786 WeakPolarHBondContact O-CG 3.38Å; L782-L786 PolarHBondContact O-N 3.4Å; L782-L801 HydrophobicContact CD1-CD2 4.42Å; L782-L860 HydrophobicContact CD2-CD1 4.11Å; L782-L860 HydrophobicContact CG-CD1 4.33Å; L782-I879 HydrophobicContact CD2-CD1 4.06Å; L782-F882 HydrophobicContact CD1-CE1 3.85Å; L782-F882 HydrophobicContact CD1-CZ 4.25Å; L782-F882 HydrophobicContact CD2-CE1 4.35Å; L782-L883 HydrophobicContact CB-CD2 4.46Å; L782-L883 HydrophobicContact CD2-CD2 4.5Å; L782-I889 HydrophobicContact CD1-CD1 3.97Å
783	Y	98.2	Very high	96.7	Very high	53 Å²	53	44 Å²	44	21%	0.208	22%	0.219	C	C	.	.	H	α-helix	trans	-65.9	-47.8	-179.8	-62.9	-24.1	0	0	0	112.5	M779 D780 H781 L786 A787 V856 P857 L860	M779-Y783 HydrophobicContact CE-CD1 4.45Å; M779-Y783 HydrophobicContact CE-CE1 3.42Å; M779-Y783 VanDerWaalsContact CE-CE1 3.42Å; M779-Y783 HydrophobicContact CE-CE2 4.2Å; M779-Y783 WeakPolarHBondContact CE-OH 3.25Å; M779-Y783 WeakPolarHBondContact O-CD2 3.27Å; M779-Y783 VanDerWaalsContact O-CG 3.29Å; M779-Y783 PolarHBondContact O-N 3.5Å; D780-Y783 PolarHBondContact O-N 2.75Å; D780-Y783 VanDerWaalsContact O-N 3.15Å; H781-Y783 VanDerWaalsContact C-N 3.33Å; H781-Y783 PolarHBondContact O-N 2.61Å; Y783-L786 PolarHBondContact O-N 3.36Å; Y783-A787 WeakPolarHBondContact O-CB 3.37Å; Y783-A787 PolarHBondContact O-N 2.9Å; Y783-V856 HydrophobicContact CD1-CG1 3.74Å; Y783-V856 HydrophobicContact CE1-CG1 4.5Å; Y783-V856 HydrophobicContact CG-CG1 4.35Å; Y783-P857 HydrophobicContact CD1-CG 4.37Å; Y783-P857 HydrophobicContact CD2-CG 4.01Å; Y783-P857 HydrophobicContact CE1-CB 4.17Å; Y783-P857 HydrophobicContact CE1-CG 4.15Å; Y783-P857 HydrophobicContact CE2-CB 4.16Å; Y783-P857 HydrophobicContact CE2-CG 3.77Å; Y783-P857 HydrophobicContact CG-CG 4.28Å; Y783-L860 HydrophobicContact CD1-CD1 3.78Å; Y783-L860 HydrophobicContact CE1-CD1 3.56Å
784	E	98	Very high	96.5	Very high	101 Å²	101	41.5 Å²	41.5	47%	0.472	21%	0.205	S	C	.	.	H	α-helix	trans	-60.1	-47	177.6	-70.9	174.4	177.1	0	0	111.3	D780 H781 A787 S788 L853	D780-E784 WeakPolarHBondContact O-CG 3.42Å; D780-E784 PolarHBondContact O-N 2.77Å; H781-E784 PolarHBondContact O-N 3.01Å; E784-A787 PolarHBondContact O-N 3.3Å; E784-S788 WeakPolarHBondContact O-CB 3.19Å; E784-S788 PolarHBondContact O-N 2.96Å; E784-L853 HydrophobicContact CG-CD1 4.41Å
785	T	97.9	Very high	96.2	Very high	12 Å²	12	41.2 Å²	41.2	7%	0.074	21%	0.208	C	C	.	.	H	α-helix	trans	-64.5	-44.5	179.7	-64.1	0	0	0	0	111.5	D773 I776 H781 S788 L789 I889	D773-T785 HydrophobicContact CB-CG2 3.49Å; D773-T785 VanDerWaalsContact CB-CG2 3.49Å; D773-T785 VanDerWaalsContact OD2-CG2 3.32Å; D773-T785 WeakPolarHBondContact OD2-CG2 3.48Å; I776-T785 HydrophobicContact CD1-CG2 4.01Å; H781-T785 PolarHBondContact CE1-OG1 2.91Å; H781-T785 PolarHBondContact ND1-OG1 3.05Å; H781-T785 VanDerWaalsContact O-CB 3.23Å; H781-T785 WeakPolarHBondContact O-CB 3.5Å; H781-T785 PolarHBondContact O-N 2.78Å; H781-T785 PolarHBondContact O-OG1 2.8Å; T785-S788 PolarHBondContact O-N 3.15Å; T785-L789 HydrophobicContact CG2-CD1 3.73Å; T785-L789 HydrophobicContact CG2-CG 4.23Å; T785-L789 VanDerWaalsContact O-CB 3.28Å; T785-L789 WeakPolarHBondContact O-CB 3.47Å; T785-L789 WeakPolarHBondContact O-CG 3.3Å; T785-L789 PolarHBondContact O-N 3.25Å; T785-I889 HydrophobicContact CG2-CD1 3.74Å
786	L	97.9	Very high	96.2	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-62.3	-45.2	175.6	-74.7	169.8	0	0	0	111.5	L782 Y783 S788 L789 F790 L801 V856 L860 I889	L782-L786 HydrophobicContact CD1-CD1 3.68Å; L782-L786 HydrophobicContact CD1-CG 3.97Å; L782-L786 HydrophobicContact CG-CD1 4Å; L782-L786 WeakPolarHBondContact O-CB 3.49Å; L782-L786 VanDerWaalsContact O-CG 3.29Å; L782-L786 WeakPolarHBondContact O-CG 3.38Å; L782-L786 PolarHBondContact O-N 3.4Å; Y783-L786 PolarHBondContact O-N 3.36Å; L786-S788 PolarHBondContact O-N 3Å; L786-L789 PolarHBondContact O-N 2.79Å; L786-F790 HydrophobicContact CB-CE1 4.48Å; L786-F790 HydrophobicContact CB-CE2 4.05Å; L786-F790 HydrophobicContact CB-CZ 4.05Å; L786-F790 HydrophobicContact CD2-CE1 3.78Å; L786-F790 HydrophobicContact CD2-CE2 4.41Å; L786-F790 HydrophobicContact CD2-CZ 3.58Å; L786-F790 HydrophobicContact CG-CZ 4.3Å; L786-F790 VanDerWaalsContact O-CB 3.3Å; L786-F790 WeakPolarHBondContact O-CB 3.4Å; L786-F790 WeakPolarHBondContact O-CD1 3.32Å; L786-F790 WeakPolarHBondContact O-CD2 3.48Å; L786-F790 WeakPolarHBondContact O-CG 3.36Å; L786-F790 PolarHBondContact O-N 3.04Å; L786-L801 HydrophobicContact CD2-CD1 4.46Å; L786-V856 HydrophobicContact CB-CG1 4.06Å; L786-V856 HydrophobicContact CB-CG2 4.33Å; L786-V856 HydrophobicContact CD1-CG1 3.88Å; L786-L860 HydrophobicContact CD1-CD1 3.74Å; L786-L860 HydrophobicContact CD1-CD2 4.02Å; L786-L860 HydrophobicContact CD1-CG 4.13Å; L786-I889 HydrophobicContact CD2-CD1 3.58Å; L786-I889 HydrophobicContact CD2-CG1 4.13Å; L786-I889 HydrophobicContact CD2-CG2 4.12Å; L786-I889 HydrophobicContact CG-CD1 3.79Å
787	A	97.6	Very high	96	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-62	-43.2	179.7	0	0	0	0	0	112.1	Y783 E784 T791 Y849 I852 L853 V856	Y783-A787 WeakPolarHBondContact O-CB 3.37Å; Y783-A787 PolarHBondContact O-N 2.9Å; E784-A787 PolarHBondContact O-N 3.3Å; A787-T791 WeakPolarHBondContact O-CB 3.27Å; A787-T791 PolarHBondContact O-N 3.37Å; A787-T791 VanDerWaalsContact O-N 3.08Å; A787-T791 PolarHBondContact O-OG1 3.15Å; A787-Y849 HydrophobicContact CB-CD2 3.88Å; A787-Y849 HydrophobicContact CB-CE2 3.58Å; A787-I852 HydrophobicContact CB-CG2 4.15Å; A787-L853 HydrophobicContact CB-CB 3.77Å; A787-L853 HydrophobicContact CB-CD1 3.81Å; A787-L853 HydrophobicContact CB-CG 4.4Å; A787-V856 HydrophobicContact CB-CG2 4.25Å
788	S	97.2	Very high	95.9	Very high	41 Å²	41	38.3 Å²	38.3	29%	0.287	20%	0.197	S	C	.	.	H	α-helix	trans	-62.6	-51.7	175.3	167.3	0	0	0	0	110.9	E784 T785 L786 F790 T791 E792	E784-S788 WeakPolarHBondContact O-CB 3.19Å; E784-S788 PolarHBondContact O-N 2.96Å; T785-S788 PolarHBondContact O-N 3.15Å; L786-S788 PolarHBondContact O-N 3Å; S788-F790 PolarHBondContact O-N 2.71Å; S788-T791 PolarHBondContact O-N 2.79Å; S788-E792 WeakPolarHBondContact O-CB 3.35Å; S788-E792 WeakPolarHBondContact O-CG 3.18Å; S788-E792 PolarHBondContact O-N 3.24Å; S788-E792 PolarHBondContact OG-OE1 3.18Å
789	L	97.2	Very high	95.9	Very high	14 Å²	14	34.7 Å²	34.7	7%	0.073	18%	0.175	C	C	.	.	H	α-helix	trans	-59.4	-44.1	-179.4	-74.8	173.4	0	0	0	112.6	D773 T785 L786 N793 W799 I889	D773-L789 HydrophobicContact CB-CD1 4.28Å; T785-L789 HydrophobicContact CG2-CD1 3.73Å; T785-L789 HydrophobicContact CG2-CG 4.23Å; T785-L789 VanDerWaalsContact O-CB 3.28Å; T785-L789 WeakPolarHBondContact O-CB 3.47Å; T785-L789 WeakPolarHBondContact O-CG 3.3Å; T785-L789 PolarHBondContact O-N 3.25Å; L786-L789 PolarHBondContact O-N 2.79Å; L789-N793 WeakPolarHBondContact O-CB 3.45Å; L789-N793 PolarHBondContact O-N 3.38Å; L789-N793 VanDerWaalsContact O-N 3.07Å; L789-N793 PolarHBondContact O-ND2 3.31Å; L789-W799 HydrophobicContact CB-CH2 3.77Å; L789-W799 HydrophobicContact CB-CZ2 4.38Å; L789-W799 HydrophobicContact CB-CZ3 3.96Å; L789-W799 HydrophobicContact CD1-CZ3 4.03Å; L789-W799 HydrophobicContact CD2-CH2 4.3Å; L789-W799 HydrophobicContact CD2-CZ3 4.28Å; L789-W799 HydrophobicContact CG-CH2 4.46Å; L789-W799 HydrophobicContact CG-CZ3 4.34Å; L789-I889 HydrophobicContact CD1-CB 3.96Å; L789-I889 HydrophobicContact CD1-CD1 4.07Å; L789-I889 HydrophobicContact CD1-CG2 3.56Å
790	F	97.1	Very high	95.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-65.2	-42.1	179.1	-63.9	-11.1	0	0	0	111.8	L786 S788 N793 L794 W799 I816 I818 L821 I852 V856 L859	L786-F790 HydrophobicContact CB-CE1 4.48Å; L786-F790 HydrophobicContact CB-CE2 4.05Å; L786-F790 HydrophobicContact CB-CZ 4.05Å; L786-F790 HydrophobicContact CD2-CE1 3.78Å; L786-F790 HydrophobicContact CD2-CE2 4.41Å; L786-F790 HydrophobicContact CD2-CZ 3.58Å; L786-F790 HydrophobicContact CG-CZ 4.3Å; L786-F790 VanDerWaalsContact O-CB 3.3Å; L786-F790 WeakPolarHBondContact O-CB 3.4Å; L786-F790 WeakPolarHBondContact O-CD1 3.32Å; L786-F790 WeakPolarHBondContact O-CD2 3.48Å; L786-F790 WeakPolarHBondContact O-CG 3.36Å; L786-F790 PolarHBondContact O-N 3.04Å; S788-F790 PolarHBondContact O-N 2.71Å; F790-N793 CarbonylContact O-C 3.58Å; F790-N793 PolarHBondContact O-N 3.04Å; F790-L794 PolarHBondContact O-N 3.39Å; F790-W799 AromaticContact CD1-CD1 3.89Å; F790-W799 HydrophobicContact CD1-CD2 4.1Å; F790-W799 AromaticContact CD1-CE2 3.71Å; F790-W799 HydrophobicContact CD1-CG 4.21Å; F790-W799 HydrophobicContact CD1-CZ2 4.18Å; F790-W799 AromaticContact CD1-NE1 3.6Å; F790-W799 HydrophobicContact CE1-CB 4.2Å; F790-W799 AromaticContact CE1-CD1 3.52Å; F790-W799 AromaticContact CE1-CD2 3.83Å; F790-W799 HydrophobicContact CE1-CD2 3.83Å; F790-W799 AromaticContact CE1-CE2 3.91Å; F790-W799 AromaticContact CE1-CG 3.59Å; F790-W799 HydrophobicContact CE1-CG 3.59Å; F790-W799 AromaticContact CE1-NE1 3.73Å; F790-I816 HydrophobicContact CZ-CG2 4.35Å; F790-I818 HydrophobicContact CB-CG2 4.37Å; F790-I818 HydrophobicContact CD1-CG2 3.59Å; F790-I818 HydrophobicContact CD2-CG2 3.64Å; F790-I818 HydrophobicContact CE1-CG2 3.61Å; F790-I818 HydrophobicContact CE2-CG2 3.66Å; F790-I818 HydrophobicContact CG-CG2 3.6Å; F790-I818 HydrophobicContact CZ-CG2 3.62Å; F790-L821 HydrophobicContact CD2-CD1 4.09Å; F790-I852 HydrophobicContact CB-CG2 4.19Å; F790-I852 HydrophobicContact CD2-CG2 3.99Å; F790-V856 HydrophobicContact CD2-CG2 4.32Å; F790-V856 HydrophobicContact CE2-CG2 4.23Å; F790-L859 HydrophobicContact CE2-CD2 3.79Å; F790-L859 HydrophobicContact CZ-CD2 4.38Å
791	T	96	Very high	95.7	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.006	13%	0.134	C	C	.	.	H	α-helix	trans	-67.6	-41.9	-179.1	-53.8	0	0	0	0	111.6	A787 S788 N793 W839 Q845 T848 Y849	A787-T791 WeakPolarHBondContact O-CB 3.27Å; A787-T791 PolarHBondContact O-N 3.37Å; A787-T791 VanDerWaalsContact O-N 3.08Å; A787-T791 PolarHBondContact O-OG1 3.15Å; S788-T791 PolarHBondContact O-N 2.79Å; T791-N793 VanDerWaalsContact C-N 3.33Å; T791-W839 HydrophobicContact CG2-CZ2 3.95Å; T791-W839 PolarHBondContact O-NE1 2.81Å; T791-Q845 HydrophobicContact CG2-CB 3.67Å; T791-Q845 HydrophobicContact CG2-CG 4.08Å; T791-T848 HydrophobicContact CG2-CG2 3.98Å; T791-Y849 WeakPolarHBondContact OG1-CA 3.18Å
792	E	94	Very high	95.5	Very high	77 Å²	77	24.3 Å²	24.3	36%	0.36	12%	0.122	S	C	.	.	H	α-helix	trans	-69.3	-32.5	179.2	-72.1	175.6	-166	0	0	112.2	S788	S788-E792 WeakPolarHBondContact O-CB 3.35Å; S788-E792 WeakPolarHBondContact O-CG 3.18Å; S788-E792 PolarHBondContact O-N 3.24Å; S788-E792 PolarHBondContact OG-OE1 3.18Å
793	N	93.7	Very high	95.3	Very high	40 Å²	40	24.4 Å²	24.4	21%	0.214	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.6	41	-169.2	-58.9	-83.6	0	0	0	113.3	L789 F790 T791 P795 I796 W799	L789-N793 WeakPolarHBondContact O-CB 3.45Å; L789-N793 PolarHBondContact O-N 3.38Å; L789-N793 VanDerWaalsContact O-N 3.07Å; L789-N793 PolarHBondContact O-ND2 3.31Å; F790-N793 CarbonylContact O-C 3.58Å; F790-N793 PolarHBondContact O-N 3.04Å; T791-N793 VanDerWaalsContact C-N 3.33Å; N793-P795 VanDerWaalsContact C-N 3.28Å; N793-P795 WeakPolarHBondContact O-CD 3.37Å; N793-I796 HydrophobicContact CB-CD1 3.94Å; N793-I796 WeakPolarHBondContact O-CB 3.44Å; N793-I796 PolarHBondContact O-N 3.01Å; N793-W799 HydrophobicContact CB-CH2 4.09Å; N793-W799 HydrophobicContact CB-CZ2 3.85Å
794	L	92.3	Very high	94.9	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.005	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.7	-32.7	-177	-75.3	168.8	0	0	0	117	F790 I796 F824 A827 L828 R831 W839 I852	F790-L794 PolarHBondContact O-N 3.39Å; L794-I796 PolarHBondContact O-N 2.82Å; L794-F824 HydrophobicContact CD2-CD2 4.31Å; L794-F824 HydrophobicContact CD2-CE2 4.23Å; L794-A827 HydrophobicContact CD1-CB 4.14Å; L794-A827 WeakPolarHBondContact CD1-O 3.39Å; L794-A827 HydrophobicContact CD2-CB 3.78Å; L794-L828 HydrophobicContact CB-CD2 4.13Å; L794-R831 HydrophobicContact CD1-CB 3.82Å; L794-W839 HydrophobicContact CD1-CH2 4.24Å; L794-W839 HydrophobicContact CD1-CZ2 3.48Å; L794-W839 VanDerWaalsContact CD1-CZ2 3.48Å; L794-I852 HydrophobicContact CD2-CD1 4.41Å
795	P	90	Very high	94.2	Very high	40 Å²	40	19.6 Å²	19.6	26%	0.26	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-23.7	173.3	-27.9	38.5	0	0	0	114.8	N793 K797 P894	N793-P795 VanDerWaalsContact C-N 3.28Å; N793-P795 WeakPolarHBondContact O-CD 3.37Å; P795-K797 PolarHBondContact O-N 3.38Å; P795-P894 HydrophobicContact CB-CB 4.35Å
796	I	93.3	Very high	92.9	Very high	12 Å²	12	19.4 Å²	19.4	6%	0.062	10%	0.101	C	C	.	.			trans	-84.4	102.5	-179.8	-65.4	166.2	0	0	0	108.8	P771 N793 L794 N798 W799 I818 A891 C892 P894	P771-I796 HydrophobicContact CB-CD1 4.35Å; P771-I796 HydrophobicContact CG-CD1 3.81Å; N793-I796 HydrophobicContact CB-CD1 3.94Å; N793-I796 WeakPolarHBondContact O-CB 3.44Å; N793-I796 PolarHBondContact O-N 3.01Å; L794-I796 PolarHBondContact O-N 2.82Å; I796-N798 WeakPolarHBondContact CG2-O 3.36Å; I796-W799 HydrophobicContact CB-CZ2 4.16Å; I796-W799 HydrophobicContact CG2-CD2 4.42Å; I796-W799 HydrophobicContact CG2-CZ2 4Å; I796-W799 PolarHBondContact O-NE1 3.41Å; I796-I818 WeakPolarHBondContact O-CD1 3.27Å; I796-A891 HydrophobicContact CD1-CB 3.81Å; I796-A891 HydrophobicContact CG2-CB 3.89Å; I796-C892 VanDerWaalsContact CG2-O 3.25Å; I796-C892 WeakPolarHBondContact CG2-O 3.43Å; I796-P894 HydrophobicContact CG1-CB 4.11Å
797	K	92.8	Very high	91.7	Very high	81 Å²	81	20.7 Å²	20.7	35%	0.352	11%	0.107	S	C	.	.			trans	-72.2	-30.1	-178.6	-64.6	177.7	176	-177.5	0	113.6	P795 S817 I818	P795-K797 PolarHBondContact O-N 3.38Å; K797-S817 CarbonylContact O-C 3.5Å; K797-S817 VanDerWaalsContact O-CA 3.25Å; K797-S817 WeakPolarHBondContact O-CA 3.25Å; K797-S817 PolarHBondContact O-OG 3.36Å; K797-I818 WeakPolarHBondContact O-CG1 3.17Å; K797-I818 PolarHBondContact O-N 2.93Å
798	N	94.5	Very high	90.7	Very high	14 Å²	14	21 Å²	21	8%	0.075	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	136.2	-162.9	-61.4	-33	0	0	0	111.1	I796 Y815 S817 C892	I796-N798 WeakPolarHBondContact CG2-O 3.36Å; N798-Y815 HydrophobicContact CB-CE2 3.68Å; N798-Y815 PolarHBondContact ND2-OH 2.84Å; N798-Y815 PolarHBondContact OD1-OH 3.41Å; N798-S817 WeakPolarHBondContact OD1-CB 3.48Å; N798-S817 PolarHBondContact OD1-OG 2.96Å; N798-C892 HydrophobicContact CB-CB 3.79Å; N798-C892 VanDerWaalsContact O-CB 3.25Å; N798-C892 WeakPolarHBondContact O-CB 3.35Å; N798-C892 PolarHBondContact O-N 2.79Å
799	W	96.5	Very high	89.5	Confident	0 Å²	0	21 Å²	21	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	141.8	-174	-65.9	81.1	0	0	0	110.6	P771 L789 F790 N793 I796 Y815 I816 I889 A891	P771-W799 HydrophobicContact CB-CH2 4.1Å; P771-W799 HydrophobicContact CB-CZ3 4.43Å; L789-W799 HydrophobicContact CB-CH2 3.77Å; L789-W799 HydrophobicContact CB-CZ2 4.38Å; L789-W799 HydrophobicContact CB-CZ3 3.96Å; L789-W799 HydrophobicContact CD1-CZ3 4.03Å; L789-W799 HydrophobicContact CD2-CH2 4.3Å; L789-W799 HydrophobicContact CD2-CZ3 4.28Å; L789-W799 HydrophobicContact CG-CH2 4.46Å; L789-W799 HydrophobicContact CG-CZ3 4.34Å; F790-W799 AromaticContact CD1-CD1 3.89Å; F790-W799 HydrophobicContact CD1-CD2 4.1Å; F790-W799 AromaticContact CD1-CE2 3.71Å; F790-W799 HydrophobicContact CD1-CG 4.21Å; F790-W799 HydrophobicContact CD1-CZ2 4.18Å; F790-W799 AromaticContact CD1-NE1 3.6Å; F790-W799 HydrophobicContact CE1-CB 4.2Å; F790-W799 AromaticContact CE1-CD1 3.52Å; F790-W799 AromaticContact CE1-CD2 3.83Å; F790-W799 HydrophobicContact CE1-CD2 3.83Å; F790-W799 AromaticContact CE1-CE2 3.91Å; F790-W799 AromaticContact CE1-CG 3.59Å; F790-W799 HydrophobicContact CE1-CG 3.59Å; F790-W799 AromaticContact CE1-NE1 3.73Å; N793-W799 HydrophobicContact CB-CH2 4.09Å; N793-W799 HydrophobicContact CB-CZ2 3.85Å; I796-W799 HydrophobicContact CB-CZ2 4.16Å; I796-W799 HydrophobicContact CG2-CD2 4.42Å; I796-W799 HydrophobicContact CG2-CZ2 4Å; I796-W799 PolarHBondContact O-NE1 3.41Å; W799-Y815 WeakPolarHBondContact O-CA 3.31Å; W799-I816 HydrophobicContact CB-CG2 3.88Å; W799-I816 PolarHBondContact N-O 3.44Å; W799-I816 PolarHBondContact O-N 3.22Å; W799-I889 HydrophobicContact CE3-CG2 3.64Å; W799-I889 HydrophobicContact CZ3-CG2 4.14Å; W799-A891 HydrophobicContact CD2-CB 4.46Å; W799-A891 HydrophobicContact CE3-CB 3.98Å; W799-A891 HydrophobicContact CH2-CB 3.96Å; W799-A891 HydrophobicContact CZ2-CB 4.42Å; W799-A891 HydrophobicContact CZ3-CB 3.72Å
800	L	94.9	Very high	88.4	Confident	11 Å²	11	22.3 Å²	22.3	6%	0.058	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	134.1	176.7	-60.7	179.5	0	0	0	109.9	T813 A814 Y815 F867 I889 E890 F928	L800-T813 HydrophobicContact CB-CG2 4.21Å; L800-T813 HydrophobicContact CD2-CG2 4.21Å; L800-A814 CarbonylContact C-O 3.53Å; L800-A814 WeakPolarHBondContact CA-O 3.37Å; L800-Y815 HydrophobicContact CD2-CD2 4.19Å; L800-F867 HydrophobicContact CD2-CE2 4.03Å; L800-F867 HydrophobicContact CD2-CZ 4.15Å; L800-I889 CarbonylContact O-C 3.52Å; L800-I889 WeakPolarHBondContact O-CA 3.13Å; L800-E890 HydrophobicContact CB-CB 4.34Å; L800-E890 PolarHBondContact N-O 3.36Å; L800-E890 PolarHBondContact O-N 2.77Å; L800-F928 HydrophobicContact CD1-CD1 4.15Å; L800-F928 HydrophobicContact CD1-CE1 3.83Å; L800-F928 HydrophobicContact CD2-CD1 4.06Å; L800-F928 HydrophobicContact CD2-CE1 3.62Å; L800-F928 HydrophobicContact CD2-CZ 3.85Å; L800-F928 HydrophobicContact CG-CE1 4.14Å
801	L	95.7	Very high	87.5	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	114.4	167.1	-79.5	70.3	0	0	0	107	L782 L786 T813 A814 I816 L860 L864 F878 I879 F882 I889	L782-L801 HydrophobicContact CD1-CD2 4.42Å; L786-L801 HydrophobicContact CD2-CD1 4.46Å; L801-T813 CarbonylContact O-C 3.54Å; L801-T813 VanDerWaalsContact O-CA 3.31Å; L801-T813 WeakPolarHBondContact O-CA 3.38Å; L801-A814 HydrophobicContact CB-CB 4.41Å; L801-A814 PolarHBondContact N-O 3Å; L801-A814 PolarHBondContact O-N 3.36Å; L801-I816 HydrophobicContact CD1-CG2 3.81Å; L801-L860 HydrophobicContact CD2-CD2 3.98Å; L801-L864 HydrophobicContact CD1-CD1 4.44Å; L801-L864 HydrophobicContact CD2-CD1 4.17Å; L801-F878 HydrophobicContact CB-CE1 4.13Å; L801-F878 HydrophobicContact CB-CZ 4.47Å; L801-F878 WeakPolarHBondContact O-CZ 3.29Å; L801-I879 HydrophobicContact CD2-CD1 4.12Å; L801-F882 HydrophobicContact CB-CD2 4.27Å; L801-F882 HydrophobicContact CB-CE2 3.77Å; L801-F882 HydrophobicContact CB-CZ 4.42Å; L801-F882 HydrophobicContact CD2-CE2 4.42Å; L801-F882 HydrophobicContact CD2-CZ 4.43Å; L801-F882 HydrophobicContact CG-CE2 4.16Å; L801-F882 HydrophobicContact CG-CZ 4.33Å; L801-I889 HydrophobicContact CG-CG1 4.48Å
802	K	93.9	Very high	86.9	Confident	13 Å²	13	23.8 Å²	23.8	6%	0.057	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	136.4	179.4	-58.5	175	-179.5	179.4	0	109.5	Q689 T813 F882 V888 E890 T985	Q689-K802 HydrophobicContact CG-CB 4.12Å; Q689-K802 HydrophobicContact CG-CD 4.18Å; K802-T813 HydrophobicContact CG-CG2 3.77Å; K802-F882 VanDerWaalsContact O-CE2 3.27Å; K802-F882 WeakPolarHBondContact O-CE2 3.36Å; K802-V888 HydrophobicContact CB-CB 4.28Å; K802-V888 PolarHBondContact N-O 3.34Å; K802-V888 PolarHBondContact O-N 2.8Å; K802-E890 WeakPolarHBondContact CE-OE1 3.47Å; K802-E890 IonicContact NZ-OE1 2.58Å; K802-E890 PolarHBondContact NZ-OE1 2.93Å; K802-E890 IonicContact NZ-OE2 2.86Å; K802-E890 PolarHBondContact NZ-OE2 2.86Å; K802-T985 PolarHBondContact NZ-O 2.86Å
803	I	92.9	Very high	86.8	Confident	2 Å²	2	20.3 Å²	20.3	1%	0.01	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	137	174.3	-52.2	178.8	0	0	0	108.6	H805 A812 Y872 F878 A881 F882 H885	I803-H805 HydrophobicContact CG2-CB 4.02Å; I803-H805 PolarHBondContact O-N 2.76Å; I803-A812 HydrophobicContact CB-CB 4.07Å; I803-A812 HydrophobicContact CD1-CB 4.37Å; I803-A812 HydrophobicContact CG1-CB 4.38Å; I803-A812 PolarHBondContact N-O 3.49Å; I803-Y872 HydrophobicContact CD1-CE1 4.37Å; I803-Y872 HydrophobicContact CD1-CE2 3.76Å; I803-Y872 WeakPolarHBondContact CD1-OH 3.49Å; I803-F878 HydrophobicContact CD1-CD2 3.96Å; I803-F878 HydrophobicContact CD1-CE2 3.67Å; I803-F878 HydrophobicContact CD1-CZ 4.06Å; I803-F878 HydrophobicContact CG1-CE2 3.92Å; I803-F878 HydrophobicContact CG1-CZ 3.84Å; I803-A881 HydrophobicContact CD1-CB 3.91Å; I803-F882 HydrophobicContact CG1-CB 4.08Å; I803-F882 HydrophobicContact CG1-CD2 4.1Å; I803-H885 HydrophobicContact CG2-CB 3.72Å
804	D	90.1	Very high	86.7	Confident	7 Å²	7	18.4 Å²	18.4	4%	0.037	9%	0.09	C	C	.	.	S	Bend	trans	-73	38.3	171.2	-89.7	-19.9	0	0	0	112.6	L688 Q689 S690 G886 V888	L688-D804 HydrophobicContact CD2-CB 4.5Å; L688-D804 WeakPolarHBondContact CD2-O 3.18Å; Q689-D804 WeakPolarHBondContact CA-OD1 3.33Å; Q689-D804 VanDerWaalsContact CB-OD1 3.27Å; Q689-D804 WeakPolarHBondContact CB-OD1 2.98Å; Q689-D804 PolarHBondContact N-OD1 2.88Å; S690-D804 WeakPolarHBondContact CB-OD2 3.49Å; S690-D804 PolarHBondContact N-OD1 3.21Å; S690-D804 PolarHBondContact OG-OD1 3Å; S690-D804 PolarHBondContact OG-OD2 3.45Å; D804-G886 WeakPolarHBondContact CB-O 3.37Å; D804-G886 PolarHBondContact N-O 2.88Å; D804-V888 WeakPolarHBondContact OD1-CG2 3.27Å
805	H	82.9	Confident	86.7	Confident	46 Å²	46	20.4 Å²	20.4	21%	0.213	10%	0.098	C	C	.	.	S	Bend	trans	-156.3	152	175.4	-167.5	54.4	0	0	0	108.3	I803 N807 A812 H885	I803-H805 HydrophobicContact CG2-CB 4.02Å; I803-H805 PolarHBondContact O-N 2.76Å; H805-N807 PolarHBondContact O-N 3.5Å; H805-A812 WeakPolarHBondContact O-CB 3.5Å; H805-H885 HydrophobicContact CB-CB 3.76Å; H805-H885 AromaticContact CD2-CE1 3.75Å; H805-H885 AromaticContact CD2-ND1 3.99Å; H805-H885 AromaticContact CD2-NE2 3.88Å; H805-H885 AromaticContact CG-ND1 3.89Å
806	N	71.5	Confident	86.9	Confident	8 Å²	8	18.5 Å²	18.5	4%	0.043	9%	0.086	C	C	.	.			trans	58.7	47.2	168.5	-164.3	15.2	0	0	0	114.4	I536 Q539 I808 A812 F871	I536-N806 HydrophobicContact CD1-CB 3.81Å; I536-N806 HydrophobicContact CG1-CB 4.1Å; I536-N806 WeakPolarHBondContact CG2-OD1 3.43Å; Q539-N806 PolarHBondContact OE1-ND2 2.97Å; N806-I808 PolarHBondContact O-N 2.79Å; N806-I808 WeakPolarHBondContact OD1-CD1 3.37Å; N806-A812 HydrophobicContact CB-CB 4.32Å; N806-A812 WeakPolarHBondContact O-CB 3.48Å; N806-F871 WeakPolarHBondContact ND2-CD2 3.46Å; N806-F871 WeakPolarHBondContact ND2-CE2 3.46Å
807	N	72.1	Confident	87	Confident	27 Å²	27	18.5 Å²	18.5	14%	0.144	9%	0.087	C	C	.	.			trans	-72.5	41.2	179.6	-171	25.2	0	0	0	114.2	Q689 H805 D986	Q689-N807 PolarHBondContact NE2-ND2 3.45Å; Q689-N807 PolarHBondContact NE2-OD1 3.32Å; H805-N807 PolarHBondContact O-N 3.5Å; N807-D986 PolarHBondContact ND2-OD1 3.24Å; N807-D986 VanDerWaalsContact ND2-OD1 3.08Å; N807-D986 PolarHBondContact ND2-OD2 3.02Å; N807-D986 PolarHBondContact OD1-OD2 3.24Å
808	I	75.8	Confident	87.1	Confident	7 Å²	7	14.7 Å²	14.7	4%	0.036	7%	0.07	C	C	.	.	S	Bend	trans	-92.8	123.2	-177.2	-56.6	177.4	0	0	0	108.8	Y532 I536 L540 M549 N806 K810 R811	Y532-I808 HydrophobicContact CD1-CD1 3.7Å; Y532-I808 HydrophobicContact CD1-CG1 4.28Å; Y532-I808 HydrophobicContact CD2-CD1 3.66Å; Y532-I808 HydrophobicContact CE1-CD1 3.51Å; Y532-I808 HydrophobicContact CE1-CG1 3.72Å; Y532-I808 HydrophobicContact CE2-CD1 3.48Å; Y532-I808 VanDerWaalsContact CE2-CD1 3.48Å; Y532-I808 HydrophobicContact CE2-CG1 4.3Å; Y532-I808 HydrophobicContact CG-CD1 3.77Å; I536-I808 HydrophobicContact CG2-CD1 3.41Å; I536-I808 VanDerWaalsContact CG2-CD1 3.41Å; L540-I808 HydrophobicContact CD1-CD1 4Å; M549-I808 HydrophobicContact CE-CG2 3.46Å; M549-I808 VanDerWaalsContact CE-CG2 3.46Å; M549-I808 HydrophobicContact SD-CG2 3.95Å; N806-I808 PolarHBondContact O-N 2.79Å; N806-I808 WeakPolarHBondContact OD1-CD1 3.37Å; I808-K810 PolarHBondContact O-N 2.98Å; I808-R811 VanDerWaalsContact O-CB 3.25Å; I808-R811 WeakPolarHBondContact O-CB 3.45Å; I808-R811 VanDerWaalsContact O-CG 3.29Å; I808-R811 WeakPolarHBondContact O-CG 3.41Å; I808-R811 PolarHBondContact O-N 2.96Å
809	D	72.1	Confident	87	Confident	40 Å²	40	17.6 Å²	17.6	21%	0.214	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.8	34.2	172.3	-66.3	-16.6	0	0	0	114.1	R552 R811 R1053	R552-D809 IonicContact CZ-OD2 3.24Å; R552-D809 IonicContact NH1-OD2 2.7Å; R552-D809 PolarHBondContact NH1-OD2 3.3Å; R552-D809 IonicContact NH2-OD1 2.77Å; R552-D809 IonicContact NH2-OD2 3.23Å; R552-D809 PolarHBondContact NH2-OD2 2.86Å; D809-R811 HydrophobicContact CB-CG 4.44Å; D809-R811 PolarHBondContact O-N 3.37Å; D809-R811 VanDerWaalsContact O-N 3.1Å; D809-R1053 VanDerWaalsContact CG-NH2 3.25Å; D809-R1053 IonicContact OD1-CZ 3.98Å; D809-R1053 IonicContact OD1-NH1 2.8Å; D809-R1053 IonicContact OD1-NH2 3.96Å; D809-R1053 PolarHBondContact OD1-NH2 3.26Å; D809-R1053 IonicContact OD2-NH2 3.41Å
810	K	73.8	Confident	86.9	Confident	42 Å²	42	21 Å²	21	18%	0.183	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	55	19.9	-175.3	-54.5	-170.2	-166.3	165.8	0	115	I808 A812 T813 F928	I808-K810 PolarHBondContact O-N 2.98Å; K810-A812 PolarHBondContact O-N 2.9Å; K810-T813 WeakPolarHBondContact O-CB 3.06Å; K810-T813 PolarHBondContact O-N 2.93Å; K810-F928 HydrophobicContact CD-CB 4.3Å; K810-F928 WeakPolarHBondContact CD-O 3.08Å; K810-F928 VanDerWaalsContact CE-O 3.25Å; K810-F928 WeakPolarHBondContact CE-O 2.96Å; K810-F928 PolarHBondContact NZ-O 3.44Å
811	R	77.9	Confident	86.9	Confident	31 Å²	31	21 Å²	21	12%	0.117	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-27.6	178.1	-68.7	-177.8	-177.3	-87.4	-1.7	112.9	I543 E545 I808 D809 T813 N869 F871	I543-R811 VanDerWaalsContact CD1-CZ 3.44Å; E545-R811 IonicContact OE1-NH2 3.28Å; E545-R811 IonicContact OE2-NH2 3.33Å; I808-R811 VanDerWaalsContact O-CB 3.25Å; I808-R811 WeakPolarHBondContact O-CB 3.45Å; I808-R811 VanDerWaalsContact O-CG 3.29Å; I808-R811 WeakPolarHBondContact O-CG 3.41Å; I808-R811 PolarHBondContact O-N 2.96Å; D809-R811 HydrophobicContact CB-CG 4.44Å; D809-R811 PolarHBondContact O-N 3.37Å; D809-R811 VanDerWaalsContact O-N 3.1Å; R811-T813 VanDerWaalsContact C-N 3.31Å; R811-T813 PolarHBondContact O-N 3.36Å; R811-N869 HydrophobicContact CB-CB 3.7Å; R811-N869 HydrophobicContact CG-CB 4.08Å; R811-N869 PolarHBondContact NH1-O 3.03Å; R811-N869 WeakPolarHBondContact O-CB 3.28Å; R811-N869 PolarHBondContact O-ND2 2.87Å; R811-N869 VanDerWaalsContact O-ND2 3.08Å; R811-F871 HydrophobicContact CB-CD2 3.84Å; R811-F871 HydrophobicContact CB-CE2 3.9Å; R811-F871 HydrophobicContact CG-CE2 4.38Å
812	A	85.3	Confident	86.8	Confident	1 Å²	1	28.4 Å²	28.4	1%	0.008	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	35.3	177.8	0	0	0	0	0	112.6	I803 H805 N806 K810	I803-A812 HydrophobicContact CB-CB 4.07Å; I803-A812 HydrophobicContact CD1-CB 4.37Å; I803-A812 HydrophobicContact CG1-CB 4.38Å; I803-A812 PolarHBondContact N-O 3.49Å; H805-A812 WeakPolarHBondContact O-CB 3.5Å; N806-A812 HydrophobicContact CB-CB 4.32Å; N806-A812 WeakPolarHBondContact O-CB 3.48Å; K810-A812 PolarHBondContact O-N 2.9Å
813	T	90.6	Very high	86.7	Confident	4 Å²	4	27.8 Å²	27.8	3%	0.025	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	142.8	178.4	-50.2	0	0	0	0	110.2	L800 L801 K802 K810 R811 F867	L800-T813 HydrophobicContact CB-CG2 4.21Å; L800-T813 HydrophobicContact CD2-CG2 4.21Å; L801-T813 CarbonylContact O-C 3.54Å; L801-T813 VanDerWaalsContact O-CA 3.31Å; L801-T813 WeakPolarHBondContact O-CA 3.38Å; K802-T813 HydrophobicContact CG-CG2 3.77Å; K810-T813 WeakPolarHBondContact O-CB 3.06Å; K810-T813 PolarHBondContact O-N 2.93Å; R811-T813 VanDerWaalsContact C-N 3.31Å; R811-T813 PolarHBondContact O-N 3.36Å; T813-F867 HydrophobicContact CG2-CD2 3.94Å; T813-F867 HydrophobicContact CG2-CE2 3.69Å; T813-F867 VanDerWaalsContact O-CD2 3.23Å; T813-F867 WeakPolarHBondContact O-CD2 3.2Å; T813-F867 PolarHBondContact O-N 3.02Å
814	A	92.5	Very high	86.8	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	161.6	170.5	0	0	0	0	0	109.7	L800 L801 L864 K865 L866 F878	L800-A814 CarbonylContact C-O 3.53Å; L800-A814 WeakPolarHBondContact CA-O 3.37Å; L801-A814 HydrophobicContact CB-CB 4.41Å; L801-A814 PolarHBondContact N-O 3Å; L801-A814 PolarHBondContact O-N 3.36Å; A814-L864 HydrophobicContact CB-CD1 3.71Å; A814-L864 HydrophobicContact CB-CD2 4.39Å; A814-L864 HydrophobicContact CB-CG 4.03Å; A814-K865 CarbonylContact C-O 3.16Å; A814-K865 WeakPolarHBondContact CA-O 3.4Å; A814-L866 HydrophobicContact CB-CD2 3.77Å; A814-F878 HydrophobicContact CB-CD1 3.99Å; A814-F878 HydrophobicContact CB-CD2 4.4Å; A814-F878 HydrophobicContact CB-CE1 3.47Å; A814-F878 VanDerWaalsContact CB-CE1 3.47Å; A814-F878 HydrophobicContact CB-CE2 3.92Å; A814-F878 HydrophobicContact CB-CG 4.44Å; A814-F878 HydrophobicContact CB-CZ 3.44Å; A814-F878 VanDerWaalsContact CB-CZ 3.44Å
815	Y	91.2	Very high	87	Confident	43 Å²	43	35.5 Å²	35.5	17%	0.169	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	138.1	-175.5	168.2	-85.1	0	0	0	109.8	N798 W799 L800 K865 F928	N798-Y815 HydrophobicContact CB-CE2 3.68Å; N798-Y815 PolarHBondContact ND2-OH 2.84Å; N798-Y815 PolarHBondContact OD1-OH 3.41Å; W799-Y815 WeakPolarHBondContact O-CA 3.31Å; L800-Y815 HydrophobicContact CD2-CD2 4.19Å; Y815-K865 HydrophobicContact CD1-CB 4.24Å; Y815-K865 HydrophobicContact CD1-CD 4.18Å; Y815-K865 HydrophobicContact CE1-CD 4.49Å; Y815-K865 PolarHBondContact N-O 2.88Å; Y815-K865 PolarHBondContact O-N 2.89Å; Y815-F928 AromaticContact CD2-CE2 3.72Å; Y815-F928 HydrophobicContact CD2-CE2 3.72Å; Y815-F928 AromaticContact CD2-CZ 3.87Å; Y815-F928 HydrophobicContact CD2-CZ 3.87Å; Y815-F928 AromaticContact CE2-CE2 3.99Å; Y815-F928 HydrophobicContact CE2-CE2 3.99Å; Y815-F928 HydrophobicContact CE2-CZ 4.1Å
816	I	95.1	Very high	87.6	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	143.6	173.2	-161.1	166.1	0	0	0	110.2	F790 W799 L801 L859 L860 L864	F790-I816 HydrophobicContact CZ-CG2 4.35Å; W799-I816 HydrophobicContact CB-CG2 3.88Å; W799-I816 PolarHBondContact N-O 3.44Å; W799-I816 PolarHBondContact O-N 3.22Å; L801-I816 HydrophobicContact CD1-CG2 3.81Å; I816-L859 HydrophobicContact CD1-CD2 3.67Å; I816-L859 HydrophobicContact CD1-CG 3.72Å; I816-L859 HydrophobicContact CG1-CD2 4.06Å; I816-L859 HydrophobicContact CG1-CG 4.14Å; I816-L860 HydrophobicContact CD1-CD2 3.74Å; I816-L860 HydrophobicContact CD1-CG 4.17Å; I816-L864 HydrophobicContact CB-CD1 4.14Å; I816-L864 HydrophobicContact CD1-CD1 4.45Å
817	S	94.7	Very high	88.6	Confident	12 Å²	12	36.3 Å²	36.3	8%	0.084	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	128.1	178	-178.7	0	0	0	0	110.4	K797 N798 D819 N820	K797-S817 CarbonylContact O-C 3.5Å; K797-S817 VanDerWaalsContact O-CA 3.25Å; K797-S817 WeakPolarHBondContact O-CA 3.25Å; K797-S817 PolarHBondContact O-OG 3.36Å; N798-S817 WeakPolarHBondContact OD1-CB 3.48Å; N798-S817 PolarHBondContact OD1-OG 2.96Å; S817-D819 PolarHBondContact O-N 2.94Å; S817-N820 PolarHBondContact O-N 3.14Å; S817-N820 PolarHBondContact O-ND2 2.96Å
818	I	94.7	Very high	89.6	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.005	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-75.5	-10.9	-179.5	65.6	168.4	0	0	0	112.8	F790 I796 K797 N820 L821 F824	F790-I818 HydrophobicContact CB-CG2 4.37Å; F790-I818 HydrophobicContact CD1-CG2 3.59Å; F790-I818 HydrophobicContact CD2-CG2 3.64Å; F790-I818 HydrophobicContact CE1-CG2 3.61Å; F790-I818 HydrophobicContact CE2-CG2 3.66Å; F790-I818 HydrophobicContact CG-CG2 3.6Å; F790-I818 HydrophobicContact CZ-CG2 3.62Å; I796-I818 WeakPolarHBondContact O-CD1 3.27Å; K797-I818 WeakPolarHBondContact O-CG1 3.17Å; K797-I818 PolarHBondContact O-N 2.93Å; I818-N820 PolarHBondContact O-N 3.05Å; I818-L821 HydrophobicContact CB-CD1 3.94Å; I818-L821 HydrophobicContact CG2-CD1 4.28Å; I818-L821 WeakPolarHBondContact O-CB 3.34Å; I818-L821 PolarHBondContact O-N 3.38Å; I818-F824 HydrophobicContact CD1-CD2 3.89Å; I818-F824 HydrophobicContact CD1-CE2 3.36Å; I818-F824 HydrophobicContact CD1-CZ 4.16Å; I818-F824 HydrophobicContact CG1-CD2 4.07Å; I818-F824 HydrophobicContact CG1-CE2 3.74Å; I818-F824 HydrophobicContact CG1-CZ 4.25Å
819	D	92.4	Very high	90.4	Very high	75 Å²	75	41.6 Å²	41.6	40%	0.401	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-57.7	-20.4	170.8	-75.1	-18.1	0	0	0	112	S817 F824	S817-D819 PolarHBondContact O-N 2.94Å; D819-F824 WeakPolarHBondContact OD1-CE1 2.99Å
820	N	94.2	Very high	91.4	Very high	72 Å²	72	41.8 Å²	41.8	39%	0.385	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-85.1	-3.1	176.8	-55.3	-74	0	0	0	113.9	S817 I818 L859 H863	S817-N820 PolarHBondContact O-N 3.14Å; S817-N820 PolarHBondContact O-ND2 2.96Å; I818-N820 PolarHBondContact O-N 3.05Å; N820-L859 HydrophobicContact CB-CD1 3.67Å; N820-H863 HydrophobicContact CB-CB 4.24Å; N820-H863 PolarHBondContact OD1-ND1 2.88Å
821	L	94.8	Very high	92.2	Very high	9 Å²	9	42.4 Å²	42.4	5%	0.047	20%	0.195	C	C	.	.			trans	-72.9	132.3	171.8	-71.1	169.5	0	0	0	109.6	F790 I818 S823 F824 I852 E855 L859	F790-L821 HydrophobicContact CD2-CD1 4.09Å; I818-L821 HydrophobicContact CB-CD1 3.94Å; I818-L821 HydrophobicContact CG2-CD1 4.28Å; I818-L821 WeakPolarHBondContact O-CB 3.34Å; I818-L821 PolarHBondContact O-N 3.38Å; L821-S823 PolarHBondContact O-N 2.89Å; L821-F824 HydrophobicContact CB-CB 4.04Å; L821-F824 WeakPolarHBondContact O-CB 3.35Å; L821-F824 PolarHBondContact O-N 3.39Å; L821-F824 VanDerWaalsContact O-N 3.14Å; L821-I852 HydrophobicContact CD1-CG1 4.35Å; L821-I852 HydrophobicContact CD1-CG2 4.07Å; L821-E855 HydrophobicContact CD2-CB 3.6Å; L821-L859 HydrophobicContact CD2-CB 4.21Å; L821-L859 HydrophobicContact CD2-CD1 4.1Å; L821-L859 HydrophobicContact CD2-CD2 3.88Å; L821-L859 HydrophobicContact CD2-CG 4.27Å; L821-L859 HydrophobicContact CG-CD1 4.11Å; L821-L859 HydrophobicContact CG-CD2 4.03Å
822	Q	93.5	Very high	92.8	Very high	157 Å²	157	48.1 Å²	48.1	73%	0.734	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-33.9	177.6	-64	178.9	13.6	0	0	110.8	F824 E855	Q822-F824 VanDerWaalsContact C-N 3.3Å; Q822-F824 PolarHBondContact O-N 3.22Å; Q822-E855 PolarHBondContact N-OE2 2.9Å
823	S	93.5	Very high	93.1	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-10	176.4	55.6	0	0	0	0	114.7	L821 K825 W826 A827 E855	L821-S823 PolarHBondContact O-N 2.89Å; S823-K825 PolarHBondContact O-N 3.01Å; S823-W826 PolarHBondContact O-N 3.25Å; S823-A827 WeakPolarHBondContact O-CB 3.04Å; S823-A827 PolarHBondContact O-N 3.19Å; S823-E855 WeakPolarHBondContact CB-OE1 3.38Å; S823-E855 WeakPolarHBondContact CB-OE2 3.34Å; S823-E855 PolarHBondContact N-OE1 3.03Å; S823-E855 PolarHBondContact N-OE2 2.78Å; S823-E855 PolarHBondContact OG-OE1 2.81Å; S823-E855 PolarHBondContact OG-OE2 3.15Å
824	F	94.2	Very high	93.1	Very high	20 Å²	20	58.2 Å²	58.2	9%	0.088	26%	0.262	C	S	.	.	H	α-helix	trans	-59	-49.4	-167.9	-176.4	-122.2	0	0	0	113.9	L794 I818 D819 L821 Q822 W826 A827 L828	L794-F824 HydrophobicContact CD2-CD2 4.31Å; L794-F824 HydrophobicContact CD2-CE2 4.23Å; I818-F824 HydrophobicContact CD1-CD2 3.89Å; I818-F824 HydrophobicContact CD1-CE2 3.36Å; I818-F824 HydrophobicContact CD1-CZ 4.16Å; I818-F824 HydrophobicContact CG1-CD2 4.07Å; I818-F824 HydrophobicContact CG1-CE2 3.74Å; I818-F824 HydrophobicContact CG1-CZ 4.25Å; D819-F824 WeakPolarHBondContact OD1-CE1 2.99Å; L821-F824 HydrophobicContact CB-CB 4.04Å; L821-F824 WeakPolarHBondContact O-CB 3.35Å; L821-F824 PolarHBondContact O-N 3.39Å; L821-F824 VanDerWaalsContact O-N 3.14Å; Q822-F824 VanDerWaalsContact C-N 3.3Å; Q822-F824 PolarHBondContact O-N 3.22Å; F824-W826 VanDerWaalsContact C-N 3.31Å; F824-W826 PolarHBondContact O-N 3.48Å; F824-A827 WeakPolarHBondContact O-CB 3.47Å; F824-A827 PolarHBondContact O-N 2.81Å; F824-A827 VanDerWaalsContact O-N 3.15Å; F824-L828 HydrophobicContact CD1-CD1 4.09Å; F824-L828 HydrophobicContact CE1-CD1 3.56Å; F824-L828 HydrophobicContact CE1-CG 4.39Å; F824-L828 HydrophobicContact CE2-CD1 4.16Å; F824-L828 HydrophobicContact CE2-CD2 4.43Å; F824-L828 HydrophobicContact CE2-CG 4.11Å; F824-L828 HydrophobicContact CZ-CD1 3.61Å; F824-L828 HydrophobicContact CZ-CD2 4.33Å; F824-L828 HydrophobicContact CZ-CG 4.04Å; F824-L828 PolarHBondContact O-N 2.97Å
825	K	93.5	Very high	92.8	Very high	150 Å²	150	59.6 Å²	59.6	65%	0.652	28%	0.276	S	S	*	.	H	α-helix	trans	-59.6	-44.4	179.3	-174.5	-179.7	176.5	-176.5	0	111.4	S823 L828 E829	S823-K825 PolarHBondContact O-N 3.01Å; K825-L828 PolarHBondContact O-N 2.72Å; K825-E829 WeakPolarHBondContact O-CG 3.38Å; K825-E829 PolarHBondContact O-N 3.23Å; K825-E829 VanDerWaalsContact O-N 3.13Å
826	W	95.1	Very high	92.4	Very high	72 Å²	72	60.2 Å²	60.2	27%	0.273	29%	0.29	S	S	.	.	H	α-helix	trans	-64.6	-40.2	176.3	168.1	81.3	0	0	0	111.9	S823 F824 L828 E829 Q830 T848 K851	S823-W826 PolarHBondContact O-N 3.25Å; F824-W826 VanDerWaalsContact C-N 3.31Å; F824-W826 PolarHBondContact O-N 3.48Å; W826-L828 VanDerWaalsContact C-N 3.35Å; W826-L828 PolarHBondContact O-N 2.79Å; W826-E829 WeakPolarHBondContact O-CB 3.47Å; W826-E829 PolarHBondContact O-N 3.38Å; W826-Q830 HydrophobicContact CD2-CG 4.12Å; W826-Q830 HydrophobicContact CH2-CG 4.18Å; W826-Q830 HydrophobicContact CZ2-CG 3.72Å; W826-Q830 WeakPolarHBondContact O-CG 3.4Å; W826-Q830 PolarHBondContact O-N 3.24Å; W826-T848 HydrophobicContact CZ3-CG2 4.15Å; W826-K851 HydrophobicContact CD2-CD 4.44Å; W826-K851 HydrophobicContact CE3-CD 3.74Å; W826-K851 HydrophobicContact CH2-CD 4.1Å; W826-K851 HydrophobicContact CZ3-CB 4.09Å; W826-K851 HydrophobicContact CZ3-CD 3.53Å; W826-K851 HydrophobicContact CZ3-CG 4.41Å
827	A	94.2	Very high	92	Very high	0 Å²	0	66 Å²	66	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-63.1	-39.9	177.3	0	0	0	0	0	112	L794 S823 F824 Q830 R831 T848 I852	L794-A827 HydrophobicContact CD1-CB 4.14Å; L794-A827 WeakPolarHBondContact CD1-O 3.39Å; L794-A827 HydrophobicContact CD2-CB 3.78Å; S823-A827 WeakPolarHBondContact O-CB 3.04Å; S823-A827 PolarHBondContact O-N 3.19Å; F824-A827 WeakPolarHBondContact O-CB 3.47Å; F824-A827 PolarHBondContact O-N 2.81Å; F824-A827 VanDerWaalsContact O-N 3.15Å; A827-Q830 PolarHBondContact O-N 2.68Å; A827-R831 PolarHBondContact O-N 3.39Å; A827-T848 HydrophobicContact CB-CG2 3.5Å; A827-I852 HydrophobicContact CB-CD1 4.47Å
828	L	91.8	Very high	91.7	Very high	51 Å²	51	72.9 Å²	72.9	27%	0.267	35%	0.349	S	S	.	.	H	α-helix	trans	-61.8	-42.8	172.6	-75.8	171.7	0	0	0	112	L794 F824 K825 W826 Q830 R831 Q832	L794-L828 HydrophobicContact CB-CD2 4.13Å; F824-L828 HydrophobicContact CD1-CD1 4.09Å; F824-L828 HydrophobicContact CE1-CD1 3.56Å; F824-L828 HydrophobicContact CE1-CG 4.39Å; F824-L828 HydrophobicContact CE2-CD1 4.16Å; F824-L828 HydrophobicContact CE2-CD2 4.43Å; F824-L828 HydrophobicContact CE2-CG 4.11Å; F824-L828 HydrophobicContact CZ-CD1 3.61Å; F824-L828 HydrophobicContact CZ-CD2 4.33Å; F824-L828 HydrophobicContact CZ-CG 4.04Å; F824-L828 PolarHBondContact O-N 2.97Å; K825-L828 PolarHBondContact O-N 2.72Å; W826-L828 VanDerWaalsContact C-N 3.35Å; W826-L828 PolarHBondContact O-N 2.79Å; L828-Q830 VanDerWaalsContact C-N 3.33Å; L828-Q830 PolarHBondContact O-N 2.96Å; L828-R831 PolarHBondContact O-N 3.24Å; L828-Q832 WeakPolarHBondContact O-CG 3.35Å; L828-Q832 PolarHBondContact O-N 3.13Å
829	E	93.1	Very high	91.6	Very high	93 Å²	93	72.9 Å²	72.9	44%	0.435	35%	0.349	S	S	.	.	H	α-helix	trans	-62	-39.5	174.8	-69.7	167.5	-171.4	0	0	111.4	K825 W826 Q832 W833	K825-E829 WeakPolarHBondContact O-CG 3.38Å; K825-E829 PolarHBondContact O-N 3.23Å; K825-E829 VanDerWaalsContact O-N 3.13Å; W826-E829 WeakPolarHBondContact O-CB 3.47Å; W826-E829 PolarHBondContact O-N 3.38Å; E829-Q832 PolarHBondContact O-N 2.56Å; E829-W833 WeakPolarHBondContact O-CB 3.34Å; E829-W833 PolarHBondContact O-N 2.87Å
830	Q	92.6	Very high	91.3	Very high	45 Å²	45	75.4 Å²	75.4	21%	0.21	36%	0.363	C	S	.	.	H	α-helix	trans	-63.2	-45.2	174	-65.2	-51.9	-60.5	0	0	112.1	W826 A827 L828 Q832 W833 H834 W839	W826-Q830 HydrophobicContact CD2-CG 4.12Å; W826-Q830 HydrophobicContact CH2-CG 4.18Å; W826-Q830 HydrophobicContact CZ2-CG 3.72Å; W826-Q830 WeakPolarHBondContact O-CG 3.4Å; W826-Q830 PolarHBondContact O-N 3.24Å; A827-Q830 PolarHBondContact O-N 2.68Å; L828-Q830 VanDerWaalsContact C-N 3.33Å; L828-Q830 PolarHBondContact O-N 2.96Å; Q830-Q832 VanDerWaalsContact C-N 3.31Å; Q830-Q832 PolarHBondContact O-N 3.09Å; Q830-W833 PolarHBondContact O-N 3.15Å; Q830-H834 PolarHBondContact O-CD2 3.27Å; Q830-H834 VanDerWaalsContact O-CD2 3.29Å; Q830-H834 PolarHBondContact O-N 3.5Å; Q830-W839 HydrophobicContact CB-CH2 4.12Å; Q830-W839 HydrophobicContact CB-CZ3 3.95Å
831	R	92	Very high	91.2	Very high	54 Å²	54	77.5 Å²	77.5	20%	0.204	37%	0.368	C	S	.	.	H	α-helix	trans	-59.3	-42.6	175.1	179.7	179	-179.4	-111.3	4.6	111.5	L794 A827 L828 G835 W839 E976	L794-R831 HydrophobicContact CD1-CB 3.82Å; A827-R831 PolarHBondContact O-N 3.39Å; L828-R831 PolarHBondContact O-N 3.24Å; R831-G835 WeakPolarHBondContact O-CA 3.27Å; R831-G835 PolarHBondContact O-N 2.8Å; R831-W839 HydrophobicContact CB-CD2 3.94Å; R831-W839 HydrophobicContact CB-CE3 4.2Å; R831-W839 HydrophobicContact CB-CG 4.35Å; R831-W839 HydrophobicContact CB-CZ2 4.32Å; R831-W839 HydrophobicContact CB-CZ3 4.48Å; R831-W839 HydrophobicContact CG-CB 4.42Å; R831-W839 HydrophobicContact CG-CD2 4.02Å; R831-W839 HydrophobicContact CG-CG 3.88Å; R831-E976 IonicContact CZ-OE1 3.96Å; R831-E976 IonicContact NH1-OE1 3.46Å; R831-E976 PolarHBondContact NH1-OE1 2.79Å; R831-E976 IonicContact NH2-OE1 2.61Å; R831-E976 PolarHBondContact NH2-OE1 3.21Å; R831-E976 IonicContact NH2-OE2 3.36Å
832	Q	90.4	Very high	91	Very high	152 Å²	152	84.8 Å²	84.8	71%	0.71	40%	0.399	S	S	*	.	H	α-helix	trans	-64.5	-42.6	176.6	-73	176.1	1.8	0	0	111.7	L828 E829 Q830 G835	L828-Q832 WeakPolarHBondContact O-CG 3.35Å; L828-Q832 PolarHBondContact O-N 3.13Å; E829-Q832 PolarHBondContact O-N 2.56Å; Q830-Q832 VanDerWaalsContact C-N 3.31Å; Q830-Q832 PolarHBondContact O-N 3.09Å; Q832-G835 PolarHBondContact O-N 2.97Å
833	W	90.9	Very high	90.9	Very high	193 Å²	193	84.8 Å²	84.8	73%	0.731	39%	0.393	S	S	*	.	H	α-helix	trans	-64.7	-44.2	-180	-175.6	80.2	0	0	0	112.9	E829 Q830	E829-W833 WeakPolarHBondContact O-CB 3.34Å; E829-W833 PolarHBondContact O-N 2.87Å; Q830-W833 PolarHBondContact O-N 3.15Å
834	H	89.9	Confident	90.8	Very high	24 Å²	24	84.8 Å²	84.8	11%	0.111	39%	0.393	C	S	.	.	H	α-helix	trans	-72.2	-32.3	175.7	-77.8	-77	0	0	0	112.7	Q830 R838 W839 W843	Q830-H834 PolarHBondContact O-CD2 3.27Å; Q830-H834 VanDerWaalsContact O-CD2 3.29Å; Q830-H834 PolarHBondContact O-N 3.5Å; H834-R838 HydrophobicContact CB-CB 4.27Å; H834-R838 WeakPolarHBondContact O-CB 3.43Å; H834-R838 WeakPolarHBondContact O-CD 3.4Å; H834-W839 HydrophobicContact CB-CE3 4.07Å; H834-W839 AromaticContact CD2-CE3 3.95Å; H834-W839 AromaticContact CD2-CZ3 3.86Å; H834-W843 AromaticContact CE1-CZ3 3.83Å
835	G	87.1	Confident	90.9	Very high	28 Å²	28	84.7 Å²	84.7	29%	0.289	39%	0.393	S	S	.	.			trans	75.8	154.9	-170.1	0	0	0	0	0	112.6	R831 Q832 V837 R838 W839	R831-G835 WeakPolarHBondContact O-CA 3.27Å; R831-G835 PolarHBondContact O-N 2.8Å; Q832-G835 PolarHBondContact O-N 2.97Å; G835-V837 VanDerWaalsContact C-N 3.34Å; G835-V837 PolarHBondContact O-N 3.25Å; G835-R838 PolarHBondContact O-N 3Å; G835-W839 WeakPolarHBondContact O-CB 3.4Å; G835-W839 PolarHBondContact O-N 3.42Å
836	A	82.8	Confident	90.9	Very high	56 Å²	56	82.6 Å²	82.6	46%	0.463	39%	0.386	S	S	.	.	H	α-helix	trans	-54.1	-43.8	-170.2	0	0	0	0	0	114.1	R838 W839 N840	A836-R838 PolarHBondContact O-N 3.42Å; A836-W839 PolarHBondContact O-N 2.83Å; A836-N840 PolarHBondContact O-N 2.87Å; A836-N840 PolarHBondContact O-OD1 3.1Å
837	V	85.7	Confident	90.9	Very high	122 Å²	122	83.4 Å²	83.4	74%	0.739	40%	0.398	S	S	*	.	H	α-helix	trans	-65.6	-40.6	-177.3	-180	0	0	0	0	112.3	G835	G835-V837 VanDerWaalsContact C-N 3.34Å; G835-V837 PolarHBondContact O-N 3.25Å
838	R	89.1	Confident	90.9	Very high	156 Å²	156	83.4 Å²	83.4	59%	0.589	40%	0.398	S	S	*	.	H	α-helix	trans	-78.4	-33.7	178.1	-63.9	-178.6	176.1	172.9	-2	111.2	H834 G835 A836 N840 K841 A844	H834-R838 HydrophobicContact CB-CB 4.27Å; H834-R838 WeakPolarHBondContact O-CB 3.43Å; H834-R838 WeakPolarHBondContact O-CD 3.4Å; G835-R838 PolarHBondContact O-N 3Å; A836-R838 PolarHBondContact O-N 3.42Å; R838-N840 PolarHBondContact O-N 3.28Å; R838-K841 WeakPolarHBondContact O-CB 3.38Å; R838-K841 PolarHBondContact O-N 3.24Å; R838-A844 WeakPolarHBondContact O-CB 3.49Å
839	W	91.7	Very high	91.2	Very high	2 Å²	2	83.7 Å²	83.7	1%	0.008	40%	0.396	C	S	.	.	H	α-helix	trans	-58.7	-31.7	176.7	-167.8	-103.4	0	0	0	112.5	T791 L794 Q830 R831 H834 G835 A836 K841 A844 Q845 T848	T791-W839 HydrophobicContact CG2-CZ2 3.95Å; T791-W839 PolarHBondContact O-NE1 2.81Å; L794-W839 HydrophobicContact CD1-CH2 4.24Å; L794-W839 HydrophobicContact CD1-CZ2 3.48Å; L794-W839 VanDerWaalsContact CD1-CZ2 3.48Å; Q830-W839 HydrophobicContact CB-CH2 4.12Å; Q830-W839 HydrophobicContact CB-CZ3 3.95Å; R831-W839 HydrophobicContact CB-CD2 3.94Å; R831-W839 HydrophobicContact CB-CE3 4.2Å; R831-W839 HydrophobicContact CB-CG 4.35Å; R831-W839 HydrophobicContact CB-CZ2 4.32Å; R831-W839 HydrophobicContact CB-CZ3 4.48Å; R831-W839 HydrophobicContact CG-CB 4.42Å; R831-W839 HydrophobicContact CG-CD2 4.02Å; R831-W839 HydrophobicContact CG-CG 3.88Å; H834-W839 HydrophobicContact CB-CE3 4.07Å; H834-W839 AromaticContact CD2-CE3 3.95Å; H834-W839 AromaticContact CD2-CZ3 3.86Å; G835-W839 WeakPolarHBondContact O-CB 3.4Å; G835-W839 PolarHBondContact O-N 3.42Å; A836-W839 PolarHBondContact O-N 2.83Å; W839-K841 PolarHBondContact O-N 2.64Å; W839-A844 HydrophobicContact CE3-CB 4.45Å; W839-A844 VanDerWaalsContact CZ3-O 3.27Å; W839-A844 WeakPolarHBondContact CZ3-O 3.29Å; W839-Q845 HydrophobicContact CD2-CG 4.15Å; W839-Q845 HydrophobicContact CZ2-CG 4.11Å; W839-Q845 WeakPolarHBondContact O-CG 3.46Å; W839-Q845 PolarHBondContact O-NE2 3.42Å; W839-T848 HydrophobicContact CH2-CG2 4.05Å; W839-T848 WeakPolarHBondContact CH2-OG1 3.43Å; W839-T848 HydrophobicContact CZ2-CG2 4.32Å
840	N	87.6	Confident	91.4	Very high	127 Å²	127	83.1 Å²	83.1	68%	0.679	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-8.6	174.6	-69.3	-9.3	0	0	0	114	A836 R838	A836-N840 PolarHBondContact O-N 2.87Å; A836-N840 PolarHBondContact O-OD1 3.1Å; R838-N840 PolarHBondContact O-N 3.28Å
841	K	91.8	Very high	91.5	Very high	117 Å²	117	84.8 Å²	84.8	51%	0.509	41%	0.406	S	S	.	.	S	Bend	trans	-94	127.5	175.4	-56.9	-171.9	177.6	-173.4	0	110.2	R838 W839 W843 A844	R838-K841 WeakPolarHBondContact O-CB 3.38Å; R838-K841 PolarHBondContact O-N 3.24Å; W839-K841 PolarHBondContact O-N 2.64Å; K841-W843 VanDerWaalsContact C-N 3.29Å; K841-W843 HydrophobicContact CD-CZ2 4.38Å; K841-W843 PolarHBondContact O-N 3.06Å; K841-W843 VanDerWaalsContact O-N 3.11Å; K841-A844 WeakPolarHBondContact O-CB 3.35Å; K841-A844 PolarHBondContact O-N 3.29Å
842	K	90.8	Very high	91.8	Very high	161 Å²	161	82.2 Å²	82.2	70%	0.7	40%	0.396	S	S	*	.	H	α-helix	trans	-50.6	-39.5	-175.9	-70.9	-164.6	172	-168.1	0	115.1	A844 Q845 E846	K842-A844 PolarHBondContact O-N 3.01Å; K842-Q845 WeakPolarHBondContact O-CA 3.38Å; K842-Q845 WeakPolarHBondContact O-CB 3.36Å; K842-Q845 PolarHBondContact O-N 3.41Å; K842-E846 PolarHBondContact O-N 3Å; K842-E846 VanDerWaalsContact O-N 3.12Å
843	W	91.5	Very high	92.1	Very high	157 Å²	157	77.4 Å²	77.4	60%	0.595	38%	0.375	S	S	*	.	H	α-helix	trans	-62	-27.3	179.5	65.9	-98.7	0	0	0	113.7	H834 K841 Q845	H834-W843 AromaticContact CE1-CZ3 3.83Å; K841-W843 VanDerWaalsContact C-N 3.29Å; K841-W843 HydrophobicContact CD-CZ2 4.38Å; K841-W843 PolarHBondContact O-N 3.06Å; K841-W843 VanDerWaalsContact O-N 3.11Å; W843-Q845 VanDerWaalsContact C-N 3.26Å
844	A	91.8	Very high	92.4	Very high	1 Å²	1	72.4 Å²	72.4	1%	0.008	37%	0.369	C	S	.	.	H	α-helix	trans	-75.7	-20.9	176.3	0	0	0	0	0	111.9	R838 W839 K841 K842	R838-A844 WeakPolarHBondContact O-CB 3.49Å; W839-A844 HydrophobicContact CE3-CB 4.45Å; W839-A844 VanDerWaalsContact CZ3-O 3.27Å; W839-A844 WeakPolarHBondContact CZ3-O 3.29Å; K841-A844 WeakPolarHBondContact O-CB 3.35Å; K841-A844 PolarHBondContact O-N 3.29Å; K842-A844 PolarHBondContact O-N 3.01Å
845	Q	95	Very high	92.8	Very high	18 Å²	18	72.4 Å²	72.4	8%	0.084	37%	0.369	C	S	.	.	H	α-helix	trans	-93.7	-23.4	-177.7	-65.3	-179.4	-1.9	0	0	112.7	T791 W839 K842 W843 T847 T848 Y849	T791-Q845 HydrophobicContact CG2-CB 3.67Å; T791-Q845 HydrophobicContact CG2-CG 4.08Å; W839-Q845 HydrophobicContact CD2-CG 4.15Å; W839-Q845 HydrophobicContact CZ2-CG 4.11Å; W839-Q845 WeakPolarHBondContact O-CG 3.46Å; W839-Q845 PolarHBondContact O-NE2 3.42Å; K842-Q845 WeakPolarHBondContact O-CA 3.38Å; K842-Q845 WeakPolarHBondContact O-CB 3.36Å; K842-Q845 PolarHBondContact O-N 3.41Å; W843-Q845 VanDerWaalsContact C-N 3.26Å; Q845-T847 PolarHBondContact O-N 2.92Å; Q845-T848 CarbonylContact O-C 3.59Å; Q845-T848 WeakPolarHBondContact O-CA 3.41Å; Q845-T848 WeakPolarHBondContact O-CB 3.29Å; Q845-T848 PolarHBondContact O-N 3.47Å; Q845-Y849 PolarHBondContact O-N 2.66Å
846	E	94.1	Very high	93.3	Very high	106 Å²	106	71 Å²	71	50%	0.495	36%	0.355	S	S	.	.	H	α-helix	trans	-50	-50.6	-168.6	-169.2	63.9	-154.4	0	0	114.1	K842 T848 Y849 V850	K842-E846 PolarHBondContact O-N 3Å; K842-E846 VanDerWaalsContact O-N 3.12Å; E846-T848 PolarHBondContact O-N 3.25Å; E846-Y849 PolarHBondContact O-N 3.24Å; E846-V850 WeakPolarHBondContact O-CG2 3.37Å; E846-V850 PolarHBondContact O-N 2.94Å
847	T	94.2	Very high	93.9	Very high	88 Å²	88	70.5 Å²	70.5	54%	0.54	35%	0.347	S	S	.	.	H	α-helix	trans	-63.6	-34.6	-179.9	54.8	0	0	0	0	112.2	Q845 K851	Q845-T847 PolarHBondContact O-N 2.92Å; T847-K851 PolarHBondContact O-N 2.98Å
848	T	95.4	Very high	94.3	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-75.6	-43.1	179.3	-58.7	0	0	0	0	110.7	T791 W826 A827 W839 Q845 E846 V850 K851 I852	T791-T848 HydrophobicContact CG2-CG2 3.98Å; W826-T848 HydrophobicContact CZ3-CG2 4.15Å; A827-T848 HydrophobicContact CB-CG2 3.5Å; W839-T848 HydrophobicContact CH2-CG2 4.05Å; W839-T848 WeakPolarHBondContact CH2-OG1 3.43Å; W839-T848 HydrophobicContact CZ2-CG2 4.32Å; Q845-T848 CarbonylContact O-C 3.59Å; Q845-T848 WeakPolarHBondContact O-CA 3.41Å; Q845-T848 WeakPolarHBondContact O-CB 3.29Å; Q845-T848 PolarHBondContact O-N 3.47Å; E846-T848 PolarHBondContact O-N 3.25Å; T848-V850 PolarHBondContact O-N 2.94Å; T848-K851 PolarHBondContact O-N 2.86Å; T848-I852 HydrophobicContact CG2-CD1 3.79Å; T848-I852 HydrophobicContact CG2-CG1 4.38Å; T848-I852 WeakPolarHBondContact O-CG1 3.4Å; T848-I852 PolarHBondContact O-N 2.95Å
849	Y	97.2	Very high	94.7	Very high	57 Å²	57	61.4 Å²	61.4	22%	0.224	30%	0.303	C	S	.	.	H	α-helix	trans	-55.8	-51.4	175	169.3	-100.9	0	0	0	111.8	A787 T791 Q845 E846 K851 I852 L853	A787-Y849 HydrophobicContact CB-CD2 3.88Å; A787-Y849 HydrophobicContact CB-CE2 3.58Å; T791-Y849 WeakPolarHBondContact OG1-CA 3.18Å; Q845-Y849 PolarHBondContact O-N 2.66Å; E846-Y849 PolarHBondContact O-N 3.24Å; Y849-K851 VanDerWaalsContact C-N 3.28Å; Y849-K851 PolarHBondContact O-N 3.36Å; Y849-I852 PolarHBondContact O-N 3.33Å; Y849-L853 HydrophobicContact CE1-CD2 4.05Å; Y849-L853 VanDerWaalsContact O-CB 3.26Å; Y849-L853 WeakPolarHBondContact O-CB 3.23Å; Y849-L853 PolarHBondContact O-N 3.37Å
850	V	97	Very high	94.8	Very high	81 Å²	81	61.7 Å²	61.7	49%	0.491	31%	0.305	S	S	.	.	H	α-helix	trans	-59.9	-40.5	-179.3	172.3	0	0	0	0	111.5	E846 T848 S854	E846-V850 WeakPolarHBondContact O-CG2 3.37Å; E846-V850 PolarHBondContact O-N 2.94Å; T848-V850 PolarHBondContact O-N 2.94Å; V850-S854 PolarHBondContact O-N 3.5Å
851	K	96.2	Very high	95	Very high	80 Å²	80	62.7 Å²	62.7	35%	0.348	31%	0.306	S	S	.	.	H	α-helix	trans	-68.8	-46.6	179	-165	175.1	-176.9	179.4	0	111.6	W826 T847 T848 Y849 L853 S854 E855	W826-K851 HydrophobicContact CD2-CD 4.44Å; W826-K851 HydrophobicContact CE3-CD 3.74Å; W826-K851 HydrophobicContact CH2-CD 4.1Å; W826-K851 HydrophobicContact CZ3-CB 4.09Å; W826-K851 HydrophobicContact CZ3-CD 3.53Å; W826-K851 HydrophobicContact CZ3-CG 4.41Å; T847-K851 PolarHBondContact O-N 2.98Å; T848-K851 PolarHBondContact O-N 2.86Å; Y849-K851 VanDerWaalsContact C-N 3.28Å; Y849-K851 PolarHBondContact O-N 3.36Å; K851-L853 VanDerWaalsContact C-N 3.35Å; K851-L853 PolarHBondContact O-N 2.89Å; K851-S854 PolarHBondContact O-N 2.85Å; K851-S854 PolarHBondContact O-OG 3.15Å; K851-E855 PolarHBondContact O-N 3.38Å
852	I	97	Very high	95	Very high	1 Å²	1	64.8 Å²	64.8	1%	0.005	31%	0.31	C	S	.	.	H	α-helix	trans	-60.6	-45.8	176.3	-69.8	176.3	0	0	0	110.1	A787 F790 L794 L821 A827 T848 Y849 S854 E855 V856	A787-I852 HydrophobicContact CB-CG2 4.15Å; F790-I852 HydrophobicContact CB-CG2 4.19Å; F790-I852 HydrophobicContact CD2-CG2 3.99Å; L794-I852 HydrophobicContact CD2-CD1 4.41Å; L821-I852 HydrophobicContact CD1-CG1 4.35Å; L821-I852 HydrophobicContact CD1-CG2 4.07Å; A827-I852 HydrophobicContact CB-CD1 4.47Å; T848-I852 HydrophobicContact CG2-CD1 3.79Å; T848-I852 HydrophobicContact CG2-CG1 4.38Å; T848-I852 WeakPolarHBondContact O-CG1 3.4Å; T848-I852 PolarHBondContact O-N 2.95Å; Y849-I852 PolarHBondContact O-N 3.33Å; I852-S854 PolarHBondContact O-N 3.31Å; I852-E855 WeakPolarHBondContact O-CA 3.25Å; I852-E855 PolarHBondContact O-N 2.88Å; I852-V856 HydrophobicContact CG2-CG2 3.99Å; I852-V856 WeakPolarHBondContact O-CG2 3.33Å; I852-V856 PolarHBondContact O-N 3.02Å
853	L	97.8	Very high	95.2	Very high	51 Å²	51	60.3 Å²	60.3	27%	0.267	29%	0.292	S	S	.	.	H	α-helix	trans	-54.4	-39.9	178	-178.2	63.5	0	0	0	112.2	E784 A787 Y849 K851 E855 P857	E784-L853 HydrophobicContact CG-CD1 4.41Å; A787-L853 HydrophobicContact CB-CB 3.77Å; A787-L853 HydrophobicContact CB-CD1 3.81Å; A787-L853 HydrophobicContact CB-CG 4.4Å; Y849-L853 HydrophobicContact CE1-CD2 4.05Å; Y849-L853 VanDerWaalsContact O-CB 3.26Å; Y849-L853 WeakPolarHBondContact O-CB 3.23Å; Y849-L853 PolarHBondContact O-N 3.37Å; K851-L853 VanDerWaalsContact C-N 3.35Å; K851-L853 PolarHBondContact O-N 2.89Å; L853-E855 VanDerWaalsContact C-N 3.27Å; L853-E855 PolarHBondContact O-N 3.29Å; L853-P857 WeakPolarHBondContact O-CD 3.32Å
854	S	97.3	Very high	95.3	Very high	87 Å²	87	53.7 Å²	53.7	61%	0.608	27%	0.268	S	S	*	.	H	α-helix	trans	-67.1	-24.8	176.4	77.9	0	0	0	0	114	V850 K851 I852	V850-S854 PolarHBondContact O-N 3.5Å; K851-S854 PolarHBondContact O-N 2.85Å; K851-S854 PolarHBondContact O-OG 3.15Å; I852-S854 PolarHBondContact O-N 3.31Å
855	E	97.7	Very high	95.2	Very high	24 Å²	24	60.3 Å²	60.3	11%	0.112	30%	0.297	C	S	.	.	H	α-helix	trans	-94.8	-26	-177.7	-68.3	176.6	-163.7	0	0	113.1	L821 Q822 S823 K851 I852 L853 Q858 L859	L821-E855 HydrophobicContact CD2-CB 3.6Å; Q822-E855 PolarHBondContact N-OE2 2.9Å; S823-E855 WeakPolarHBondContact CB-OE1 3.38Å; S823-E855 WeakPolarHBondContact CB-OE2 3.34Å; S823-E855 PolarHBondContact N-OE1 3.03Å; S823-E855 PolarHBondContact N-OE2 2.78Å; S823-E855 PolarHBondContact OG-OE1 2.81Å; S823-E855 PolarHBondContact OG-OE2 3.15Å; K851-E855 PolarHBondContact O-N 3.38Å; I852-E855 WeakPolarHBondContact O-CA 3.25Å; I852-E855 PolarHBondContact O-N 2.88Å; L853-E855 VanDerWaalsContact C-N 3.27Å; L853-E855 PolarHBondContact O-N 3.29Å; E855-Q858 PolarHBondContact O-N 3.13Å; E855-Q858 VanDerWaalsContact O-N 3.14Å; E855-L859 PolarHBondContact O-N 3.25Å
856	V	97.2	Very high	94.9	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-52.3	-45.4	-176.7	167.7	0	0	0	0	114	Y783 L786 A787 F790 I852 Q858 L859 L860	Y783-V856 HydrophobicContact CD1-CG1 3.74Å; Y783-V856 HydrophobicContact CE1-CG1 4.5Å; Y783-V856 HydrophobicContact CG-CG1 4.35Å; L786-V856 HydrophobicContact CB-CG1 4.06Å; L786-V856 HydrophobicContact CB-CG2 4.33Å; L786-V856 HydrophobicContact CD1-CG1 3.88Å; A787-V856 HydrophobicContact CB-CG2 4.25Å; F790-V856 HydrophobicContact CD2-CG2 4.32Å; F790-V856 HydrophobicContact CE2-CG2 4.23Å; I852-V856 HydrophobicContact CG2-CG2 3.99Å; I852-V856 WeakPolarHBondContact O-CG2 3.33Å; I852-V856 PolarHBondContact O-N 3.02Å; V856-Q858 VanDerWaalsContact C-N 3.31Å; V856-Q858 PolarHBondContact O-N 3.43Å; V856-L859 WeakPolarHBondContact O-CB 3.26Å; V856-L859 PolarHBondContact O-N 3.03Å; V856-L860 HydrophobicContact CG1-CD1 3.94Å; V856-L860 HydrophobicContact CG1-CG 4.44Å; V856-L860 PolarHBondContact O-N 2.84Å
857	P	96.2	Very high	94.2	Very high	45 Å²	45	57.6 Å²	57.6	29%	0.292	29%	0.285	S	S	.	.	H	α-helix	trans	-58.8	-42.8	179.5	-25.9	35	0	0	0	112.6	Y783 L853 Q861	Y783-P857 HydrophobicContact CD1-CG 4.37Å; Y783-P857 HydrophobicContact CD2-CG 4.01Å; Y783-P857 HydrophobicContact CE1-CB 4.17Å; Y783-P857 HydrophobicContact CE1-CG 4.15Å; Y783-P857 HydrophobicContact CE2-CB 4.16Å; Y783-P857 HydrophobicContact CE2-CG 3.77Å; Y783-P857 HydrophobicContact CG-CG 4.28Å; L853-P857 WeakPolarHBondContact O-CD 3.32Å; P857-Q861 PolarHBondContact O-N 2.69Å; P857-Q861 VanDerWaalsContact O-N 3.13Å
858	Q	94.8	Very high	93	Very high	81 Å²	81	58.5 Å²	58.5	38%	0.379	29%	0.292	S	S	.	.	H	α-helix	trans	-71.8	-34.7	178.7	-172.8	169.5	57.3	0	0	111.6	E855 V856 Q861 R862	E855-Q858 PolarHBondContact O-N 3.13Å; E855-Q858 VanDerWaalsContact O-N 3.14Å; V856-Q858 VanDerWaalsContact C-N 3.31Å; V856-Q858 PolarHBondContact O-N 3.43Å; Q858-Q861 PolarHBondContact O-N 3.38Å; Q858-R862 WeakPolarHBondContact O-CB 3.45Å; Q858-R862 PolarHBondContact O-N 3.04Å; Q858-R862 VanDerWaalsContact O-N 3.08Å
859	L	95.5	Very high	91.4	Very high	5 Å²	5	58.7 Å²	58.7	3%	0.026	29%	0.293	C	S	.	.	H	α-helix	trans	-60.1	-50	173.9	-172.5	77.7	0	0	0	111	F790 I816 N820 L821 E855 V856 Q861 R862 H863	F790-L859 HydrophobicContact CE2-CD2 3.79Å; F790-L859 HydrophobicContact CZ-CD2 4.38Å; I816-L859 HydrophobicContact CD1-CD2 3.67Å; I816-L859 HydrophobicContact CD1-CG 3.72Å; I816-L859 HydrophobicContact CG1-CD2 4.06Å; I816-L859 HydrophobicContact CG1-CG 4.14Å; N820-L859 HydrophobicContact CB-CD1 3.67Å; L821-L859 HydrophobicContact CD2-CB 4.21Å; L821-L859 HydrophobicContact CD2-CD1 4.1Å; L821-L859 HydrophobicContact CD2-CD2 3.88Å; L821-L859 HydrophobicContact CD2-CG 4.27Å; L821-L859 HydrophobicContact CG-CD1 4.11Å; L821-L859 HydrophobicContact CG-CD2 4.03Å; E855-L859 PolarHBondContact O-N 3.25Å; V856-L859 WeakPolarHBondContact O-CB 3.26Å; V856-L859 PolarHBondContact O-N 3.03Å; L859-Q861 VanDerWaalsContact C-N 3.34Å; L859-Q861 PolarHBondContact O-N 2.88Å; L859-R862 PolarHBondContact O-N 2.91Å; L859-H863 HydrophobicContact CD1-CB 4.29Å; L859-H863 WeakPolarHBondContact O-CA 3.18Å; L859-H863 WeakPolarHBondContact O-CB 3.26Å; L859-H863 PolarHBondContact O-N 2.75Å
860	L	94.8	Very high	90	Very high	9 Å²	9	58.7 Å²	58.7	5%	0.047	31%	0.31	C	S	.	.	H	α-helix	trans	-62	-41.2	178.5	-77.9	166.8	0	0	0	112.1	L782 Y783 L786 L801 I816 V856 L864 I879	L782-L860 HydrophobicContact CD2-CD1 4.11Å; L782-L860 HydrophobicContact CG-CD1 4.33Å; Y783-L860 HydrophobicContact CD1-CD1 3.78Å; Y783-L860 HydrophobicContact CE1-CD1 3.56Å; L786-L860 HydrophobicContact CD1-CD1 3.74Å; L786-L860 HydrophobicContact CD1-CD2 4.02Å; L786-L860 HydrophobicContact CD1-CG 4.13Å; L801-L860 HydrophobicContact CD2-CD2 3.98Å; I816-L860 HydrophobicContact CD1-CD2 3.74Å; I816-L860 HydrophobicContact CD1-CG 4.17Å; V856-L860 HydrophobicContact CG1-CD1 3.94Å; V856-L860 HydrophobicContact CG1-CG 4.44Å; V856-L860 PolarHBondContact O-N 2.84Å; L860-L864 HydrophobicContact CD2-CD1 4.28Å; L860-L864 HydrophobicContact CD2-CD2 4.49Å; L860-L864 WeakPolarHBondContact O-CB 3.39Å; L860-I879 HydrophobicContact CD2-CD1 4.47Å
861	Q	91.8	Very high	89.2	Confident	147 Å²	147	55.8 Å²	55.8	69%	0.687	29%	0.291	S	S	*	.	H	α-helix	trans	-66.3	-39.9	-179.3	-169.8	-178.6	19.8	0	0	112.6	P857 Q858 L859	P857-Q861 PolarHBondContact O-N 2.69Å; P857-Q861 VanDerWaalsContact O-N 3.13Å; Q858-Q861 PolarHBondContact O-N 3.38Å; L859-Q861 VanDerWaalsContact C-N 3.34Å; L859-Q861 PolarHBondContact O-N 2.88Å
862	R	92.3	Very high	88.7	Confident	161 Å²	161	53.1 Å²	53.1	61%	0.608	28%	0.279	S	S	*	.	H	α-helix	trans	-99.1	-28.4	-170.8	-68.4	-176	176	169.8	-0.6	114.9	Q858 L859	Q858-R862 WeakPolarHBondContact O-CB 3.45Å; Q858-R862 PolarHBondContact O-N 3.04Å; Q858-R862 VanDerWaalsContact O-N 3.08Å; L859-R862 PolarHBondContact O-N 2.91Å
863	H	94.2	Very high	88	Confident	68 Å²	68	59 Å²	59	32%	0.315	32%	0.315	S	S	.	.	H	α-helix	trans	-123.6	-0.1	-166.4	-61.1	-79.3	0	0	0	114.5	N820 L859 K865	N820-H863 HydrophobicContact CB-CB 4.24Å; N820-H863 PolarHBondContact OD1-ND1 2.88Å; L859-H863 HydrophobicContact CD1-CB 4.29Å; L859-H863 WeakPolarHBondContact O-CA 3.18Å; L859-H863 WeakPolarHBondContact O-CB 3.26Å; L859-H863 PolarHBondContact O-N 2.75Å; H863-K865 PolarHBondContact O-N 2.84Å
864	L	94.1	Very high	87.5	Confident	17 Å²	17	60 Å²	60	9%	0.089	32%	0.321	C	S	.	.			trans	-69.8	112.2	172.2	-172.9	69.2	0	0	0	110	L801 A814 I816 L860 L866 F878 I879	L801-L864 HydrophobicContact CD1-CD1 4.44Å; L801-L864 HydrophobicContact CD2-CD1 4.17Å; A814-L864 HydrophobicContact CB-CD1 3.71Å; A814-L864 HydrophobicContact CB-CD2 4.39Å; A814-L864 HydrophobicContact CB-CG 4.03Å; I816-L864 HydrophobicContact CB-CD1 4.14Å; I816-L864 HydrophobicContact CD1-CD1 4.45Å; L860-L864 HydrophobicContact CD2-CD1 4.28Å; L860-L864 HydrophobicContact CD2-CD2 4.49Å; L860-L864 WeakPolarHBondContact O-CB 3.39Å; L864-L866 HydrophobicContact CD2-CD2 4.48Å; L864-F878 HydrophobicContact CD2-CD1 4.09Å; L864-I879 HydrophobicContact CD2-CD1 3.86Å; L864-I879 HydrophobicContact CD2-CG1 3.95Å
865	K	90.3	Very high	87.1	Confident	141 Å²	141	57.3 Å²	57.3	61%	0.613	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.1	122.9	177.5	-64.2	-176	179.5	-179.1	0	109.6	A814 Y815 H863	A814-K865 CarbonylContact C-O 3.16Å; A814-K865 WeakPolarHBondContact CA-O 3.4Å; Y815-K865 HydrophobicContact CD1-CB 4.24Å; Y815-K865 HydrophobicContact CD1-CD 4.18Å; Y815-K865 HydrophobicContact CE1-CD 4.49Å; Y815-K865 PolarHBondContact N-O 2.88Å; Y815-K865 PolarHBondContact O-N 2.89Å; H863-K865 PolarHBondContact O-N 2.84Å
866	L	87.6	Confident	86.8	Confident	44 Å²	44	60.3 Å²	60.3	23%	0.23	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	135.4	173.3	-55.2	-174.9	0	0	0	109.4	A814 L864 D874 F878	A814-L866 HydrophobicContact CB-CD2 3.77Å; L864-L866 HydrophobicContact CD2-CD2 4.48Å; L866-D874 WeakPolarHBondContact CD1-O 3.47Å; L866-F878 HydrophobicContact CD1-CB 4.29Å; L866-F878 HydrophobicContact CD2-CB 3.61Å; L866-F878 HydrophobicContact CD2-CD1 4.09Å; L866-F878 HydrophobicContact CD2-CD2 3.76Å; L866-F878 HydrophobicContact CD2-CE2 4.49Å; L866-F878 HydrophobicContact CD2-CG 3.53Å
867	F	80.4	Confident	86.5	Confident	22 Å²	22	61.8 Å²	61.8	10%	0.096	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-64.9	147.8	167.2	-69.6	-59.3	0	0	0	109.9	L800 T813 N869 F928	L800-F867 HydrophobicContact CD2-CE2 4.03Å; L800-F867 HydrophobicContact CD2-CZ 4.15Å; T813-F867 HydrophobicContact CG2-CD2 3.94Å; T813-F867 HydrophobicContact CG2-CE2 3.69Å; T813-F867 VanDerWaalsContact O-CD2 3.23Å; T813-F867 WeakPolarHBondContact O-CD2 3.2Å; T813-F867 PolarHBondContact O-N 3.02Å; F867-N869 VanDerWaalsContact O-CB 3.31Å; F867-N869 WeakPolarHBondContact O-CB 3.33Å; F867-N869 VanDerWaalsContact O-CG 3.29Å; F867-N869 PolarHBondContact O-N 2.8Å; F867-N869 PolarHBondContact O-ND2 2.82Å; F867-F928 HydrophobicContact CD1-CB 4.28Å; F867-F928 HydrophobicContact CE1-CB 3.66Å; F867-F928 AromaticContact CE1-CD2 3.28Å; F867-F928 HydrophobicContact CE1-CD2 3.28Å; F867-F928 HydrophobicContact CE1-CE2 4.12Å; F867-F928 AromaticContact CE1-CG 3.69Å; F867-F928 HydrophobicContact CE1-CG 3.69Å; F867-F928 HydrophobicContact CE2-CB 4.13Å; F867-F928 HydrophobicContact CE2-CD2 4.29Å; F867-F928 HydrophobicContact CE2-CG 4.08Å; F867-F928 HydrophobicContact CZ-CB 3.58Å; F867-F928 HydrophobicContact CZ-CD1 4.07Å; F867-F928 AromaticContact CZ-CD2 3.13Å; F867-F928 HydrophobicContact CZ-CD2 3.13Å; F867-F928 AromaticContact CZ-CE2 3.73Å; F867-F928 HydrophobicContact CZ-CE2 3.73Å; F867-F928 AromaticContact CZ-CG 3.29Å; F867-F928 HydrophobicContact CZ-CG 3.29Å; F867-F928 HydrophobicContact CZ-CZ 4.43Å
868	P	67.7	Low	86.4	Confident	107 Å²	107	59.6 Å²	59.6	70%	0.695	32%	0.318	S	S	*	.	S	Bend	trans	-56	99.5	176.3	-22.6	32.2	0	0	0	110.2
869	N	62.3	Low	86.4	Confident	5 Å²	5	56.6 Å²	56.6	3%	0.027	31%	0.305	C	S	.	.			trans	-121.5	-20.8	-169.4	62.7	31.5	0	0	0	113.4	R811 F867 F871 Y872	R811-N869 HydrophobicContact CB-CB 3.7Å; R811-N869 HydrophobicContact CG-CB 4.08Å; R811-N869 PolarHBondContact NH1-O 3.03Å; R811-N869 WeakPolarHBondContact O-CB 3.28Å; R811-N869 PolarHBondContact O-ND2 2.87Å; R811-N869 VanDerWaalsContact O-ND2 3.08Å; F867-N869 VanDerWaalsContact O-CB 3.31Å; F867-N869 WeakPolarHBondContact O-CB 3.33Å; F867-N869 VanDerWaalsContact O-CG 3.29Å; F867-N869 PolarHBondContact O-N 2.8Å; F867-N869 PolarHBondContact O-ND2 2.82Å; N869-F871 WeakPolarHBondContact O-CD1 3.4Å; N869-F871 PolarHBondContact O-N 2.74Å; N869-F871 PolarHBondContact OD1-N 2.96Å; N869-Y872 PolarHBondContact OD1-N 2.88Å; N869-Y872 PolarHBondContact OD1-O 3.35Å
870	G	68.6	Low	86.3	Confident	56 Å²	56	62.7 Å²	62.7	58%	0.577	33%	0.333	S	S	*	.	S	Bend	trans	59.6	1.5	-173.1	0	0	0	0	0	114.7
871	F	78.8	Confident	86.2	Confident	20 Å²	20	62.8 Å²	62.8	9%	0.088	34%	0.335	C	S	.	.	S	Bend	trans	-102.5	-36.4	-174.6	-70.4	-3.3	0	0	0	112	Q539 L540 I543 N806 R811 N869	Q539-F871 HydrophobicContact CB-CD1 3.67Å; Q539-F871 HydrophobicContact CB-CE1 3.49Å; Q539-F871 VanDerWaalsContact CB-CE1 3.49Å; Q539-F871 HydrophobicContact CB-CG 4.3Å; Q539-F871 HydrophobicContact CB-CZ 3.97Å; Q539-F871 HydrophobicContact CG-CD1 4.43Å; L540-F871 HydrophobicContact CD2-CE1 4.31Å; L540-F871 HydrophobicContact CD2-CZ 3.7Å; L540-F871 HydrophobicContact CG-CZ 3.97Å; I543-F871 HydrophobicContact CD1-CD1 4.27Å; I543-F871 HydrophobicContact CD1-CE1 3.62Å; I543-F871 HydrophobicContact CD1-CZ 4.42Å; I543-F871 HydrophobicContact CG1-CE1 4.37Å; N806-F871 WeakPolarHBondContact ND2-CD2 3.46Å; N806-F871 WeakPolarHBondContact ND2-CE2 3.46Å; R811-F871 HydrophobicContact CB-CD2 3.84Å; R811-F871 HydrophobicContact CB-CE2 3.9Å; R811-F871 HydrophobicContact CG-CE2 4.38Å; N869-F871 WeakPolarHBondContact O-CD1 3.4Å; N869-F871 PolarHBondContact O-N 2.74Å; N869-F871 PolarHBondContact OD1-N 2.96Å
872	Y	85.6	Confident	86.4	Confident	24 Å²	24	55.8 Å²	55.8	9%	0.094	30%	0.303	C	S	.	.			trans	-123.2	118.9	-179.3	-54.2	-71.2	0	0	0	107.9	I803 N869 F878 A881	I803-Y872 HydrophobicContact CD1-CE1 4.37Å; I803-Y872 HydrophobicContact CD1-CE2 3.76Å; I803-Y872 WeakPolarHBondContact CD1-OH 3.49Å; N869-Y872 PolarHBondContact OD1-N 2.88Å; N869-Y872 PolarHBondContact OD1-O 3.35Å; Y872-F878 AromaticContact CD2-CD2 3.75Å; Y872-F878 HydrophobicContact CD2-CD2 3.75Å; Y872-F878 HydrophobicContact CD2-CE2 4.42Å; Y872-F878 HydrophobicContact CE2-CD2 4.23Å; Y872-F878 HydrophobicContact CG-CB 4.23Å; Y872-F878 HydrophobicContact CG-CD2 4.04Å; Y872-A881 HydrophobicContact CD1-CB 4.28Å; Y872-A881 HydrophobicContact CE1-CB 3.38Å
873	T	82.6	Confident	86.6	Confident	126 Å²	126	49.4 Å²	49.4	77%	0.773	28%	0.28	S	S	*	.	S	Bend	trans	-82.6	-25.4	-174.3	46.6	0	0	0	0	112.7
874	D	87.3	Confident	86.6	Confident	71 Å²	71	53.8 Å²	53.8	38%	0.38	30%	0.298	S	S	.	.	S	Bend	trans	-151.1	164	-172.8	50.9	51.9	0	0	0	111.3	L866 T876 S877 F878	L866-D874 WeakPolarHBondContact CD1-O 3.47Å; D874-T876 PolarHBondContact O-N 3.24Å; D874-T876 PolarHBondContact OD1-N 2.6Å; D874-S877 PolarHBondContact N-OG 2.95Å; D874-S877 PolarHBondContact O-N 2.88Å; D874-S877 PolarHBondContact O-OG 2.82Å; D874-S877 VanDerWaalsContact OD1-CB 3.22Å; D874-S877 WeakPolarHBondContact OD1-CB 3.43Å; D874-S877 PolarHBondContact OD1-N 2.92Å; D874-S877 PolarHBondContact OD1-OG 3.48Å; D874-F878 PolarHBondContact O-N 2.74Å
875	S	89.3	Confident	86.5	Confident	31 Å²	31	56 Å²	56	22%	0.217	31%	0.308	C	S	.	.	H	α-helix	trans	-60.1	-32.3	-179.8	52.2	0	0	0	0	112.4	F878 I879	S875-F878 PolarHBondContact O-N 3.46Å; S875-I879 WeakPolarHBondContact O-CB 3.19Å; S875-I879 WeakPolarHBondContact O-CG1 3.21Å; S875-I879 PolarHBondContact O-N 3.19Å
876	T	92.3	Very high	86.7	Confident	87 Å²	87	49.3 Å²	49.3	53%	0.534	28%	0.279	S	S	.	.	H	α-helix	trans	-64.1	-54.1	179.6	-53.4	0	0	0	0	111.7	D874 F878 I879 E880	D874-T876 PolarHBondContact O-N 3.24Å; D874-T876 PolarHBondContact OD1-N 2.6Å; T876-F878 VanDerWaalsContact C-N 3.26Å; T876-F878 PolarHBondContact O-N 3.46Å; T876-I879 PolarHBondContact O-N 3.47Å; T876-E880 WeakPolarHBondContact O-CG 3.4Å; T876-E880 PolarHBondContact O-N 2.78Å
877	S	90.8	Very high	87	Confident	30 Å²	30	47.2 Å²	47.2	21%	0.21	27%	0.268	C	S	.	.	H	α-helix	trans	-61.3	-35.2	177.6	57	0	0	0	0	112.4	D874 A881	D874-S877 PolarHBondContact N-OG 2.95Å; D874-S877 PolarHBondContact O-N 2.88Å; D874-S877 PolarHBondContact O-OG 2.82Å; D874-S877 VanDerWaalsContact OD1-CB 3.22Å; D874-S877 WeakPolarHBondContact OD1-CB 3.43Å; D874-S877 PolarHBondContact OD1-N 2.92Å; D874-S877 PolarHBondContact OD1-OG 3.48Å; S877-A881 WeakPolarHBondContact O-CB 3.42Å; S877-A881 PolarHBondContact O-N 3.38Å
878	F	93.2	Very high	87.8	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-64.1	-50	173	-179.3	-89.3	0	0	0	111.9	L801 I803 A814 L864 L866 Y872 D874 S875 T876 A881 F882	L801-F878 HydrophobicContact CB-CE1 4.13Å; L801-F878 HydrophobicContact CB-CZ 4.47Å; L801-F878 WeakPolarHBondContact O-CZ 3.29Å; I803-F878 HydrophobicContact CD1-CD2 3.96Å; I803-F878 HydrophobicContact CD1-CE2 3.67Å; I803-F878 HydrophobicContact CD1-CZ 4.06Å; I803-F878 HydrophobicContact CG1-CE2 3.92Å; I803-F878 HydrophobicContact CG1-CZ 3.84Å; A814-F878 HydrophobicContact CB-CD1 3.99Å; A814-F878 HydrophobicContact CB-CD2 4.4Å; A814-F878 HydrophobicContact CB-CE1 3.47Å; A814-F878 VanDerWaalsContact CB-CE1 3.47Å; A814-F878 HydrophobicContact CB-CE2 3.92Å; A814-F878 HydrophobicContact CB-CG 4.44Å; A814-F878 HydrophobicContact CB-CZ 3.44Å; A814-F878 VanDerWaalsContact CB-CZ 3.44Å; L864-F878 HydrophobicContact CD2-CD1 4.09Å; L866-F878 HydrophobicContact CD1-CB 4.29Å; L866-F878 HydrophobicContact CD2-CB 3.61Å; L866-F878 HydrophobicContact CD2-CD1 4.09Å; L866-F878 HydrophobicContact CD2-CD2 3.76Å; L866-F878 HydrophobicContact CD2-CE2 4.49Å; L866-F878 HydrophobicContact CD2-CG 3.53Å; Y872-F878 AromaticContact CD2-CD2 3.75Å; Y872-F878 HydrophobicContact CD2-CD2 3.75Å; Y872-F878 HydrophobicContact CD2-CE2 4.42Å; Y872-F878 HydrophobicContact CE2-CD2 4.23Å; Y872-F878 HydrophobicContact CG-CB 4.23Å; Y872-F878 HydrophobicContact CG-CD2 4.04Å; D874-F878 PolarHBondContact O-N 2.74Å; S875-F878 PolarHBondContact O-N 3.46Å; T876-F878 VanDerWaalsContact C-N 3.26Å; T876-F878 PolarHBondContact O-N 3.46Å; F878-A881 PolarHBondContact O-N 3.48Å; F878-F882 HydrophobicContact CE1-CB 4.38Å; F878-F882 HydrophobicContact CE1-CD2 4.17Å; F878-F882 HydrophobicContact CZ-CD2 4.49Å; F878-F882 WeakPolarHBondContact O-CB 3.49Å; F878-F882 PolarHBondContact O-N 3.28Å
879	I	95	Very high	89.2	Confident	18 Å²	18	41 Å²	41	9%	0.092	23%	0.23	C	C	.	.	H	α-helix	trans	-66.9	-39.2	-178	-68.8	-67.3	0	0	0	111.5	M779 L782 L801 L860 L864 S875 T876 A881 F882 L883	M779-I879 HydrophobicContact CE-CG2 4.2Å; M779-I879 HydrophobicContact SD-CG2 3.42Å; M779-I879 WeakPolarHBondContact SD-CG2 3.44Å; L782-I879 HydrophobicContact CD2-CD1 4.06Å; L801-I879 HydrophobicContact CD2-CD1 4.12Å; L860-I879 HydrophobicContact CD2-CD1 4.47Å; L864-I879 HydrophobicContact CD2-CD1 3.86Å; L864-I879 HydrophobicContact CD2-CG1 3.95Å; S875-I879 WeakPolarHBondContact O-CB 3.19Å; S875-I879 WeakPolarHBondContact O-CG1 3.21Å; S875-I879 PolarHBondContact O-N 3.19Å; T876-I879 PolarHBondContact O-N 3.47Å; I879-A881 VanDerWaalsContact C-N 3.28Å; I879-A881 PolarHBondContact O-N 3.3Å; I879-F882 WeakPolarHBondContact O-CB 3.29Å; I879-F882 PolarHBondContact O-N 3.29Å; I879-L883 HydrophobicContact CG2-CD1 4.32Å; I879-L883 HydrophobicContact CG2-CG 4.37Å; I879-L883 WeakPolarHBondContact O-CG 3.35Å; I879-L883 PolarHBondContact O-N 3.39Å
880	E	94.4	Very high	90.8	Very high	132 Å²	132	41.4 Å²	41.4	62%	0.617	23%	0.232	S	C	*	.	H	α-helix	trans	-57.2	-43.1	172.4	-75.2	-180	-177.9	0	0	111.6	T876 K884	T876-E880 WeakPolarHBondContact O-CG 3.4Å; T876-E880 PolarHBondContact O-N 2.78Å; E880-K884 WeakPolarHBondContact O-CB 3.26Å; E880-K884 PolarHBondContact O-N 2.88Å
881	A	92.3	Very high	92.1	Very high	12 Å²	12	38.8 Å²	38.8	10%	0.099	21%	0.205	C	C	.	.	H	α-helix	trans	-69.8	-40.2	176.4	0	0	0	0	0	112.6	I803 Y872 S877 F878 I879 K884 H885	I803-A881 HydrophobicContact CD1-CB 3.91Å; Y872-A881 HydrophobicContact CD1-CB 4.28Å; Y872-A881 HydrophobicContact CE1-CB 3.38Å; S877-A881 WeakPolarHBondContact O-CB 3.42Å; S877-A881 PolarHBondContact O-N 3.38Å; F878-A881 PolarHBondContact O-N 3.48Å; I879-A881 VanDerWaalsContact C-N 3.28Å; I879-A881 PolarHBondContact O-N 3.3Å; A881-K884 PolarHBondContact O-N 3.38Å; A881-H885 WeakPolarHBondContact O-CB 3.47Å; A881-H885 PolarHBondContact O-CD2 2.94Å; A881-H885 VanDerWaalsContact O-CD2 3.29Å; A881-H885 PolarHBondContact O-N 3.06Å
882	F	95.1	Very high	92.9	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-55.9	-50.2	175.2	-177.6	-87.6	0	0	0	110.9	I776 L782 L801 K802 I803 F878 I879 G886 G887 I889	I776-F882 HydrophobicContact CB-CE1 4.05Å; I776-F882 HydrophobicContact CD1-CZ 4.47Å; I776-F882 HydrophobicContact CG2-CE1 4.02Å; L782-F882 HydrophobicContact CD1-CE1 3.85Å; L782-F882 HydrophobicContact CD1-CZ 4.25Å; L782-F882 HydrophobicContact CD2-CE1 4.35Å; L801-F882 HydrophobicContact CB-CD2 4.27Å; L801-F882 HydrophobicContact CB-CE2 3.77Å; L801-F882 HydrophobicContact CB-CZ 4.42Å; L801-F882 HydrophobicContact CD2-CE2 4.42Å; L801-F882 HydrophobicContact CD2-CZ 4.43Å; L801-F882 HydrophobicContact CG-CE2 4.16Å; L801-F882 HydrophobicContact CG-CZ 4.33Å; K802-F882 VanDerWaalsContact O-CE2 3.27Å; K802-F882 WeakPolarHBondContact O-CE2 3.36Å; I803-F882 HydrophobicContact CG1-CB 4.08Å; I803-F882 HydrophobicContact CG1-CD2 4.1Å; F878-F882 HydrophobicContact CE1-CB 4.38Å; F878-F882 HydrophobicContact CE1-CD2 4.17Å; F878-F882 HydrophobicContact CZ-CD2 4.49Å; F878-F882 WeakPolarHBondContact O-CB 3.49Å; F878-F882 PolarHBondContact O-N 3.28Å; I879-F882 WeakPolarHBondContact O-CB 3.29Å; I879-F882 PolarHBondContact O-N 3.29Å; F882-G886 CarbonylContact O-C 3.59Å; F882-G886 WeakPolarHBondContact O-CA 3.38Å; F882-G886 PolarHBondContact O-N 3.05Å; F882-G887 PolarHBondContact O-N 2.58Å; F882-I889 HydrophobicContact CZ-CG1 4.4Å
883	L	96.5	Very high	93.3	Very high	26 Å²	26	37 Å²	37	14%	0.136	20%	0.198	C	C	.	.	H	α-helix	trans	-71.8	-34.2	179.1	-63.9	-174.6	0	0	0	113.5	I776 T778 M779 L782 I879	I776-L883 HydrophobicContact CG2-CD2 4.26Å; T778-L883 WeakPolarHBondContact O-CD2 3.48Å; M779-L883 HydrophobicContact CB-CD1 4.32Å; M779-L883 HydrophobicContact CG-CD1 3.5Å; M779-L883 VanDerWaalsContact CG-CD1 3.5Å; M779-L883 HydrophobicContact SD-CD1 3.34Å; M779-L883 WeakPolarHBondContact SD-CD1 3.32Å; M779-L883 HydrophobicContact SD-CG 4.36Å; L782-L883 HydrophobicContact CB-CD2 4.46Å; L782-L883 HydrophobicContact CD2-CD2 4.5Å; I879-L883 HydrophobicContact CG2-CD1 4.32Å; I879-L883 HydrophobicContact CG2-CG 4.37Å; I879-L883 WeakPolarHBondContact O-CG 3.35Å; I879-L883 PolarHBondContact O-N 3.39Å
884	K	94.9	Very high	93.7	Very high	161 Å²	161	32.3 Å²	32.3	70%	0.7	17%	0.17	S	C	*	.	H	α-helix	trans	-65.6	-39.6	178.6	177.4	-178.7	177.8	-176.5	0	112.6	E880 A881	E880-K884 WeakPolarHBondContact O-CB 3.26Å; E880-K884 PolarHBondContact O-N 2.88Å; A881-K884 PolarHBondContact O-N 3.38Å
885	H	91.8	Very high	93.8	Very high	63 Å²	63	31 Å²	31	29%	0.292	16%	0.163	S	C	.	.	H	α-helix	trans	-99.1	-12.3	-173.5	-70.3	-65.7	0	0	0	113.7	I803 H805 A881	I803-H885 HydrophobicContact CG2-CB 3.72Å; H805-H885 HydrophobicContact CB-CB 3.76Å; H805-H885 AromaticContact CD2-CE1 3.75Å; H805-H885 AromaticContact CD2-ND1 3.99Å; H805-H885 AromaticContact CD2-NE2 3.88Å; H805-H885 AromaticContact CG-ND1 3.89Å; A881-H885 WeakPolarHBondContact O-CB 3.47Å; A881-H885 PolarHBondContact O-CD2 2.94Å; A881-H885 VanDerWaalsContact O-CD2 3.29Å; A881-H885 PolarHBondContact O-N 3.06Å
886	G	94.3	Very high	93.5	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.176	C	C	.	.			trans	94.6	138.9	-167.6	0	0	0	0	0	110	I776 D804 F882	I776-G886 WeakPolarHBondContact O-CA 3.48Å; D804-G886 WeakPolarHBondContact CB-O 3.37Å; D804-G886 PolarHBondContact N-O 2.88Å; F882-G886 CarbonylContact O-C 3.59Å; F882-G886 WeakPolarHBondContact O-CA 3.38Å; F882-G886 PolarHBondContact O-N 3.05Å
887	G	94.8	Very high	93.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	148.1	-177.3	0	0	0	0	0	113.1	F774 D775 I776 F882	F774-G887 CarbonylContact C-O 3.34Å; F774-G887 WeakPolarHBondContact CA-O 3.4Å; D775-G887 PolarHBondContact N-O 3.07Å; I776-G887 PolarHBondContact N-O 3.06Å; I776-G887 PolarHBondContact O-N 3.24Å; F882-G887 PolarHBondContact O-N 2.58Å
888	V	96	Very high	93.1	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	128.5	171.3	179.6	0	0	0	0	108.9	Q689 R693 D773 F774 K802 D804	Q689-V888 HydrophobicContact CB-CB 4.16Å; Q689-V888 HydrophobicContact CB-CG2 3.67Å; R693-V888 HydrophobicContact CG-CG1 4.3Å; D773-V888 WeakPolarHBondContact O-CA 3.47Å; F774-V888 HydrophobicContact CB-CB 4.48Å; F774-V888 HydrophobicContact CB-CG1 4.41Å; F774-V888 HydrophobicContact CB-CG2 3.8Å; K802-V888 HydrophobicContact CB-CB 4.28Å; K802-V888 PolarHBondContact N-O 3.34Å; K802-V888 PolarHBondContact O-N 2.8Å; D804-V888 WeakPolarHBondContact OD1-CG2 3.27Å
889	I	97.3	Very high	92.9	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	134.9	169.3	-62	163.9	0	0	0	107.7	R693 G772 D773 I776 L782 T785 L786 L789 W799 L800 L801 F882	R693-I889 PolarHBondContact NH1-O 3.02Å; G772-I889 VanDerWaalsContact CA-O 3.3Å; G772-I889 WeakPolarHBondContact CA-O 3.4Å; D773-I889 PolarHBondContact N-O 3.34Å; D773-I889 VanDerWaalsContact N-O 3.16Å; D773-I889 PolarHBondContact O-N 3.03Å; I776-I889 HydrophobicContact CD1-CD1 3.28Å; I776-I889 HydrophobicContact CD1-CG1 3.67Å; L782-I889 HydrophobicContact CD1-CD1 3.97Å; T785-I889 HydrophobicContact CG2-CD1 3.74Å; L786-I889 HydrophobicContact CD2-CD1 3.58Å; L786-I889 HydrophobicContact CD2-CG1 4.13Å; L786-I889 HydrophobicContact CD2-CG2 4.12Å; L786-I889 HydrophobicContact CG-CD1 3.79Å; L789-I889 HydrophobicContact CD1-CB 3.96Å; L789-I889 HydrophobicContact CD1-CD1 4.07Å; L789-I889 HydrophobicContact CD1-CG2 3.56Å; W799-I889 HydrophobicContact CE3-CG2 3.64Å; W799-I889 HydrophobicContact CZ3-CG2 4.14Å; L800-I889 CarbonylContact O-C 3.52Å; L800-I889 WeakPolarHBondContact O-CA 3.13Å; L801-I889 HydrophobicContact CG-CG1 4.48Å; F882-I889 HydrophobicContact CZ-CG1 4.4Å
890	E	95.9	Very high	92.8	Very high	12 Å²	12	35.5 Å²	35.5	6%	0.056	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	127.3	-179.7	-175.5	177.3	106.7	0	0	110.9	P770 L800 K802	P770-E890 HydrophobicContact CB-CG 3.7Å; P770-E890 HydrophobicContact CG-CG 3.61Å; L800-E890 HydrophobicContact CB-CB 4.34Å; L800-E890 PolarHBondContact N-O 3.36Å; L800-E890 PolarHBondContact O-N 2.77Å; K802-E890 WeakPolarHBondContact CE-OE1 3.47Å; K802-E890 IonicContact NZ-OE1 2.58Å; K802-E890 PolarHBondContact NZ-OE1 2.93Å; K802-E890 IonicContact NZ-OE2 2.86Å; K802-E890 PolarHBondContact NZ-OE2 2.86Å
891	A	95.9	Very high	92.8	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.008	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	137.9	172.9	0	0	0	0	0	111.6	P770 P771 I796 W799 W983	P770-A891 HydrophobicContact CB-CB 4.48Å; P771-A891 HydrophobicContact CB-CB 3.89Å; P771-A891 HydrophobicContact CG-CB 4.17Å; P771-A891 VanDerWaalsContact O-CB 3.24Å; P771-A891 WeakPolarHBondContact O-CB 3.35Å; P771-A891 PolarHBondContact O-N 2.87Å; I796-A891 HydrophobicContact CD1-CB 3.81Å; I796-A891 HydrophobicContact CG2-CB 3.89Å; W799-A891 HydrophobicContact CD2-CB 4.46Å; W799-A891 HydrophobicContact CE3-CB 3.98Å; W799-A891 HydrophobicContact CH2-CB 3.96Å; W799-A891 HydrophobicContact CZ2-CB 4.42Å; W799-A891 HydrophobicContact CZ3-CB 3.72Å; A891-W983 WeakPolarHBondContact O-CZ3 3.45Å
892	C	94.9	Very high	93	Very high	4 Å²	4	28.7 Å²	28.7	3%	0.027	14%	0.14	C	C	.	.	P	Polyproline II helix	trans	-78.5	165.9	158.6	-61.1	0	0	0	0	109.8	I796 N798 W898	I796-C892 VanDerWaalsContact CG2-O 3.25Å; I796-C892 WeakPolarHBondContact CG2-O 3.43Å; N798-C892 HydrophobicContact CB-CB 3.79Å; N798-C892 VanDerWaalsContact O-CB 3.25Å; N798-C892 WeakPolarHBondContact O-CB 3.35Å; N798-C892 PolarHBondContact O-N 2.79Å; C892-W898 HydrophobicContact CB-CH2 4.36Å
893	P	93.9	Very high	93.1	Very high	3 Å²	3	28.7 Å²	28.7	2%	0.019	14%	0.14	C	C	.	.	P	Polyproline II helix	trans	-55.6	149.6	171.6	-28.5	38.7	0	0	0	112.5	I895 W898 L970 F972 W983	P893-I895 HydrophobicContact CB-CG1 4.16Å; P893-I895 PolarHBondContact O-N 3.44Å; P893-W898 HydrophobicContact CB-CB 4.48Å; P893-W898 HydrophobicContact CB-CD2 4.43Å; P893-W898 HydrophobicContact CB-CE3 4.02Å; P893-W898 HydrophobicContact CG-CB 3.94Å; P893-W898 HydrophobicContact CG-CD2 3.74Å; P893-W898 HydrophobicContact CG-CE3 3.79Å; P893-W898 HydrophobicContact CG-CG 3.82Å; P893-L970 HydrophobicContact CG-CD1 3.9Å; P893-L970 HydrophobicContact CG-CD2 3.33Å; P893-L970 HydrophobicContact CG-CG 4.22Å; P893-F972 HydrophobicContact CB-CB 4.31Å; P893-F972 HydrophobicContact CB-CD1 3.91Å; P893-F972 HydrophobicContact CB-CD2 4.04Å; P893-F972 HydrophobicContact CB-CE1 4.18Å; P893-F972 HydrophobicContact CB-CE2 4.32Å; P893-F972 HydrophobicContact CB-CG 3.83Å; P893-F972 HydrophobicContact CB-CZ 4.37Å; P893-F972 HydrophobicContact CG-CD1 3.86Å; P893-F972 HydrophobicContact CG-CE1 4.2Å; P893-F972 HydrophobicContact CG-CG 4.2Å; P893-W983 HydrophobicContact CG-CZ3 4.11Å
894	P	91.6	Very high	93.2	Very high	28 Å²	28	27.5 Å²	27.5	18%	0.182	13%	0.133	C	C	.	.	S	Bend	trans	-73.1	10.9	175.2	33.3	-37.5	0	0	0	113.4	P795 I796 F972 P975	P795-P894 HydrophobicContact CB-CB 4.35Å; I796-P894 HydrophobicContact CG1-CB 4.11Å; P894-F972 HydrophobicContact CG-CE2 3.99Å; P894-P975 HydrophobicContact CB-CG 4.35Å; P894-P975 HydrophobicContact CG-CG 4.09Å
895	I	90	Very high	93.3	Very high	44 Å²	44	19.8 Å²	19.8	23%	0.226	10%	0.1	C	C	.	.	S	Bend	trans	-126.1	158.4	177.6	65	170.9	0	0	0	109.7	P893 E897 W898 F972 P975	P893-I895 HydrophobicContact CB-CG1 4.16Å; P893-I895 PolarHBondContact O-N 3.44Å; I895-E897 WeakPolarHBondContact CD1-O 3.39Å; I895-E897 WeakPolarHBondContact CG1-O 3.38Å; I895-W898 WeakPolarHBondContact O-CZ3 3.44Å; I895-F972 HydrophobicContact CD1-CB 3.72Å; I895-F972 HydrophobicContact CD1-CD2 4.28Å; I895-F972 HydrophobicContact CD1-CG 4.47Å; I895-F972 HydrophobicContact CG1-CB 4.09Å; I895-F972 HydrophobicContact CG1-CD2 4.25Å; I895-P975 HydrophobicContact CG2-CB 4.2Å; I895-P975 HydrophobicContact CG2-CG 3.9Å
896	D	83.6	Confident	93.6	Very high	92 Å²	92	16.9 Å²	16.9	49%	0.492	9%	0.087	S	C	.	.	S	Bend	trans	-76	-33.8	-178	-66.2	-45.6	0	0	0	111.9	W898 K927	D896-W898 WeakPolarHBondContact O-CZ3 3.37Å; D896-K927 VanDerWaalsContact O-CE 3.23Å; D896-K927 WeakPolarHBondContact O-CE 3.4Å; D896-K927 PolarHBondContact O-NZ 2.89Å
897	E	82.4	Confident	93.8	Very high	111 Å²	111	17 Å²	17	52%	0.519	9%	0.087	S	C	.	.			trans	-108.9	125	-176.7	-63.5	-170.3	172.7	0	0	112.2	I895	I895-E897 WeakPolarHBondContact CD1-O 3.39Å; I895-E897 WeakPolarHBondContact CG1-O 3.38Å
898	W	90.6	Very high	93.9	Very high	32 Å²	32	17.1 Å²	17.1	12%	0.121	9%	0.088	C	C	.	.			trans	-142.4	168	174.5	63.9	79.1	0	0	0	110.1	C892 P893 I895 D896 N900 K927 F928 L970 T971 F972	C892-W898 HydrophobicContact CB-CH2 4.36Å; P893-W898 HydrophobicContact CB-CB 4.48Å; P893-W898 HydrophobicContact CB-CD2 4.43Å; P893-W898 HydrophobicContact CB-CE3 4.02Å; P893-W898 HydrophobicContact CG-CB 3.94Å; P893-W898 HydrophobicContact CG-CD2 3.74Å; P893-W898 HydrophobicContact CG-CE3 3.79Å; P893-W898 HydrophobicContact CG-CG 3.82Å; I895-W898 WeakPolarHBondContact O-CZ3 3.44Å; D896-W898 WeakPolarHBondContact O-CZ3 3.37Å; W898-N900 PolarHBondContact NE1-OD1 2.84Å; W898-K927 HydrophobicContact CH2-CB 4.29Å; W898-K927 HydrophobicContact CH2-CD 3.65Å; W898-K927 HydrophobicContact CZ2-CB 3.8Å; W898-K927 HydrophobicContact CZ2-CD 3.9Å; W898-K927 HydrophobicContact CZ2-CG 4.46Å; W898-K927 HydrophobicContact CZ3-CD 4.01Å; W898-F928 HydrophobicContact CH2-CZ 4.11Å; W898-F928 AromaticContact CZ2-CE1 3.95Å; W898-F928 HydrophobicContact CZ2-CE1 3.95Å; W898-F928 AromaticContact CZ2-CZ 3.94Å; W898-F928 HydrophobicContact CZ2-CZ 3.94Å; W898-L970 HydrophobicContact CB-CD2 4.2Å; W898-L970 HydrophobicContact CB-CG 4.36Å; W898-L970 HydrophobicContact CD2-CD1 4.31Å; W898-L970 HydrophobicContact CG-CD1 3.85Å; W898-L970 HydrophobicContact CG-CD2 4.25Å; W898-L970 HydrophobicContact CG-CG 4.04Å; W898-T971 WeakPolarHBondContact CB-O 3.31Å; W898-F972 HydrophobicContact CB-CB 3.96Å
899	T	90.3	Very high	93.7	Very high	16 Å²	16	18.3 Å²	18.3	10%	0.098	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	128.5	179.2	-53.5	0	0	0	0	110.3	I728 L970 T971	I728-T899 HydrophobicContact CD1-CG2 4.4Å; I728-T899 HydrophobicContact CG1-CG2 4.23Å; T899-L970 CarbonylContact O-C 3.56Å; T899-L970 WeakPolarHBondContact O-CA 3.37Å; T899-T971 PolarHBondContact N-O 2.7Å; T899-T971 PolarHBondContact O-N 2.66Å
900	N	93.4	Very high	93.5	Very high	9 Å²	9	21.3 Å²	21.3	5%	0.048	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	147.4	170.7	-70.6	67.5	0	0	0	109.7	W898 Q921 H923 F969	W898-N900 PolarHBondContact NE1-OD1 2.84Å; N900-Q921 HydrophobicContact CB-CB 3.84Å; N900-Q921 HydrophobicContact CB-CG 4.11Å; N900-Q921 PolarHBondContact O-N 2.67Å; N900-H923 VanDerWaalsContact CB-NE2 3.3Å; N900-H923 WeakPolarHBondContact CB-NE2 3.35Å; N900-H923 PolarHBondContact OD1-NE2 3.45Å; N900-F969 WeakPolarHBondContact CA-O 3.32Å
901	L	94.4	Very high	93.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	156.9	178.5	56.1	142.1	0	0	0	109.7	G919 M937 V940 V945 F969 T971 L982	L901-G919 CarbonylContact C-O 3.49Å; L901-G919 VanDerWaalsContact CA-O 3.27Å; L901-G919 WeakPolarHBondContact CA-O 3.3Å; L901-G919 WeakPolarHBondContact CB-O 3.34Å; L901-M937 HydrophobicContact CB-CG 4.13Å; L901-M937 HydrophobicContact CD1-CE 3.56Å; L901-M937 HydrophobicContact CD1-CG 4Å; L901-M937 HydrophobicContact CD1-SD 3.4Å; L901-M937 WeakPolarHBondContact CD1-SD 3.25Å; L901-V940 HydrophobicContact CD1-CG2 4.37Å; L901-V940 HydrophobicContact CD2-CG2 4.02Å; L901-V945 HydrophobicContact CD1-CG2 4.1Å; L901-F969 HydrophobicContact CD1-CB 4.08Å; L901-F969 HydrophobicContact CD1-CD2 4.26Å; L901-F969 HydrophobicContact CD1-CG 4.4Å; L901-F969 HydrophobicContact CD2-CB 4.07Å; L901-F969 HydrophobicContact CG-CB 3.83Å; L901-F969 PolarHBondContact N-O 2.99Å; L901-F969 PolarHBondContact O-N 2.94Å; L901-T971 HydrophobicContact CD2-CG2 4.11Å; L901-L982 HydrophobicContact CD2-CD1 4.24Å
902	S	95.6	Very high	93.4	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.007	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	141.7	179.5	-64.6	0	0	0	0	110.5	S918 G919 Q921 I967 D968	S902-S918 CarbonylContact O-C 3.52Å; S902-S918 VanDerWaalsContact O-CA 3.23Å; S902-S918 WeakPolarHBondContact O-CA 3.23Å; S902-G919 PolarHBondContact N-O 2.84Å; S902-G919 PolarHBondContact O-N 3.46Å; S902-Q921 PolarHBondContact OG-NE2 3.36Å; S902-I967 WeakPolarHBondContact CA-O 3.02Å; S902-D968 PolarHBondContact OG-OD1 3.4Å
903	V	97.3	Very high	93.5	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	127.4	170.5	179.8	0	0	0	0	109.3	I905 I915 M937 V945 I967 F969	V903-I905 HydrophobicContact CG1-CG2 4.37Å; V903-I915 HydrophobicContact CG1-CB 4.49Å; V903-I915 HydrophobicContact CG1-CD1 4.48Å; V903-I915 HydrophobicContact CG1-CG1 4.13Å; V903-I915 HydrophobicContact CG1-CG2 3.65Å; V903-M937 HydrophobicContact CG2-CE 3.34Å; V903-V945 HydrophobicContact CB-CG1 4.45Å; V903-V945 HydrophobicContact CG2-CG1 3.47Å; V903-V945 VanDerWaalsContact CG2-CG1 3.47Å; V903-I967 PolarHBondContact N-O 3.16Å; V903-I967 PolarHBondContact O-N 3.39Å; V903-F969 HydrophobicContact CB-CE2 4.12Å; V903-F969 HydrophobicContact CG2-CE2 4.06Å
904	V	98.1	Very high	93.6	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	121.4	175	-169.5	0	0	0	0	108.6	V916 A917 V965 N966 L994 L995	V904-V916 HydrophobicContact CB-CG2 4.08Å; V904-V916 HydrophobicContact CG1-CG2 3.85Å; V904-V916 WeakPolarHBondContact O-CG2 3.21Å; V904-V916 PolarHBondContact O-N 3.01Å; V904-A917 HydrophobicContact CB-CB 4.03Å; V904-A917 HydrophobicContact CG2-CB 4.04Å; V904-A917 PolarHBondContact N-O 2.9Å; V904-A917 PolarHBondContact O-N 3.04Å; V904-V965 WeakPolarHBondContact CA-O 3.42Å; V904-N966 HydrophobicContact CG2-CB 4.46Å; V904-N966 WeakPolarHBondContact CG2-OD1 3.28Å; V904-L994 HydrophobicContact CG2-CB 4.38Å; V904-L994 HydrophobicContact CG2-CD2 3.87Å; V904-L994 HydrophobicContact CG2-CG 4.12Å; V904-L995 HydrophobicContact CG1-CB 4.29Å; V904-L995 HydrophobicContact CG1-CD1 4.49Å; V904-L995 HydrophobicContact CG1-CD2 4.14Å; V904-L995 HydrophobicContact CG2-CB 4.46Å
905	I	98.2	Very high	93.9	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	149.6	170.4	63.1	167.9	0	0	0	110.7	V903 I907 V913 R914 I915 M956 Y964 V965 I967	V903-I905 HydrophobicContact CG1-CG2 4.37Å; I905-I907 HydrophobicContact CD1-CD1 4.2Å; I905-I907 HydrophobicContact CD1-CG1 4.1Å; I905-V913 HydrophobicContact CB-CG1 4.13Å; I905-V913 HydrophobicContact CD1-CG1 4.07Å; I905-V913 HydrophobicContact CG2-CG1 4.36Å; I905-R914 CarbonylContact C-O 3.56Å; I905-R914 VanDerWaalsContact CA-O 3.23Å; I905-R914 WeakPolarHBondContact CA-O 3.31Å; I905-I915 HydrophobicContact CG2-CG1 3.85Å; I905-M956 HydrophobicContact CD1-CE 3.61Å; I905-Y964 CarbonylContact O-C 3.2Å; I905-Y964 WeakPolarHBondContact O-CA 3.37Å; I905-V965 HydrophobicContact CD1-CB 4.28Å; I905-V965 HydrophobicContact CG1-CB 3.86Å; I905-V965 WeakPolarHBondContact CG1-O 3.48Å; I905-V965 PolarHBondContact N-O 2.86Å; I905-V965 PolarHBondContact O-N 3.19Å; I905-I967 HydrophobicContact CD1-CD1 4.07Å; I905-I967 HydrophobicContact CG1-CD1 4.36Å; I905-I967 HydrophobicContact CG2-CD1 4.36Å
906	A	97.9	Very high	94.2	Very high	2 Å²	2	32.6 Å²	32.6	2%	0.017	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	118.9	167.3	0	0	0	0	0	108.6	W676 V913 R914 V916 Y964	W676-A906 HydrophobicContact CH2-CB 4.31Å; W676-A906 HydrophobicContact CZ2-CB 4.28Å; A906-V913 WeakPolarHBondContact O-CA 3.31Å; A906-R914 PolarHBondContact N-O 2.9Å; A906-R914 PolarHBondContact O-N 2.88Å; A906-V916 HydrophobicContact CB-CG1 3.78Å; A906-V916 HydrophobicContact CB-CG2 4.38Å; A906-Y964 HydrophobicContact CB-CD1 3.83Å; A906-Y964 HydrophobicContact CB-CE1 3.76Å
907	I	97.7	Very high	94.9	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	107.1	171	-55.5	177.1	0	0	0	107.4	W676 I905 V913 M956 A957 V961 V962 G963 V965	W676-I907 PolarHBondContact NE1-O 3.2Å; W676-I907 VanDerWaalsContact NE1-O 3.13Å; I905-I907 HydrophobicContact CD1-CD1 4.2Å; I905-I907 HydrophobicContact CD1-CG1 4.1Å; I907-V913 HydrophobicContact CG1-CG2 4.44Å; I907-M956 HydrophobicContact CD1-CB 3.81Å; I907-A957 HydrophobicContact CG2-CB 3.65Å; I907-V961 HydrophobicContact CD1-CB 4.2Å; I907-V961 HydrophobicContact CD1-CG1 3.97Å; I907-V961 WeakPolarHBondContact CG2-O 3.17Å; I907-V962 VanDerWaalsContact O-CG2 3.32Å; I907-V962 WeakPolarHBondContact O-CG2 3Å; I907-G963 PolarHBondContact N-O 2.81Å; I907-G963 PolarHBondContact O-N 2.93Å; I907-V965 HydrophobicContact CD1-CG2 4.16Å
908	L	96.1	Very high	95.6	Very high	3 Å²	3	23 Å²	23	2%	0.016	11%	0.114	C	C	.	.			trans	-72.2	160.1	-179	-55.8	-172.3	0	0	0	111	W514 W676 N910 K911 T912	W514-L908 HydrophobicContact CG-CD1 4.46Å; W514-L908 HydrophobicContact CZ2-CD2 3.85Å; W676-L908 HydrophobicContact CH2-CD2 3.99Å; W676-L908 HydrophobicContact CZ2-CD2 3.54Å; L908-N910 WeakPolarHBondContact CB-OD1 3.45Å; L908-N910 PolarHBondContact O-N 2.86Å; L908-K911 WeakPolarHBondContact O-CA 3.48Å; L908-K911 PolarHBondContact O-N 3.16Å; L908-T912 WeakPolarHBondContact CB-O 3.45Å; L908-T912 HydrophobicContact CD1-CG2 4.16Å; L908-T912 WeakPolarHBondContact CG-O 3.43Å; L908-T912 PolarHBondContact N-O 3.37Å
909	P	93.2	Very high	95.9	Very high	26 Å²	26	21.4 Å²	21.4	17%	0.169	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-22.9	179.1	-25.6	37.8	0	0	0	115	L507 W514 K911 V962	L507-P909 HydrophobicContact CD1-CB 4.13Å; L507-P909 HydrophobicContact CD1-CG 3.59Å; L507-P909 HydrophobicContact CG-CB 4Å; L507-P909 HydrophobicContact CG-CG 4Å; L507-P909 WeakPolarHBondContact O-CB 3.48Å; W514-P909 VanDerWaalsContact CE3-CD 3.46Å; W514-P909 HydrophobicContact CE3-CG 3.69Å; W514-P909 HydrophobicContact CH2-CG 4.46Å; W514-P909 HydrophobicContact CZ3-CG 3.59Å; P909-K911 PolarHBondContact O-N 2.81Å; P909-V962 HydrophobicContact CB-CG2 4.5Å; P909-V962 HydrophobicContact CG-CG2 4.33Å
910	N	92.8	Very high	96.1	Very high	62 Å²	62	20.7 Å²	20.7	33%	0.332	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	10.9	171.4	67.9	-7.2	0	0	0	113.2	L908 T912	L908-N910 WeakPolarHBondContact CB-OD1 3.45Å; L908-N910 PolarHBondContact O-N 2.86Å; N910-T912 PolarHBondContact ND2-OG1 2.89Å; N910-T912 PolarHBondContact O-N 3.08Å; N910-T912 VanDerWaalsContact OD1-CB 3.28Å; N910-T912 WeakPolarHBondContact OD1-CB 3.33Å; N910-T912 PolarHBondContact OD1-N 3.27Å; N910-T912 VanDerWaalsContact OD1-N 3.09Å; N910-T912 PolarHBondContact OD1-OG1 3.1Å; N910-T912 VanDerWaalsContact OD1-OG1 3.04Å
911	K	93.7	Very high	96.2	Very high	121 Å²	121	20.9 Å²	20.9	53%	0.526	10%	0.104	S	C	.	.	S	Bend	trans	68	5.6	-176.6	-54.6	-178.1	174.4	-173.8	0	115.7	L908 P909 V913 A957	L908-K911 WeakPolarHBondContact O-CA 3.48Å; L908-K911 PolarHBondContact O-N 3.16Å; P909-K911 PolarHBondContact O-N 2.81Å; K911-V913 PolarHBondContact O-N 3.39Å; K911-A957 HydrophobicContact CB-CB 4.1Å; K911-A957 HydrophobicContact CG-CB 4.44Å
912	T	95.4	Very high	96	Very high	61 Å²	61	21.1 Å²	21.1	37%	0.374	11%	0.105	S	C	.	.			trans	-64.7	134.7	170.3	-56.3	0	0	0	0	109.6	L908 N910 R914	L908-T912 WeakPolarHBondContact CB-O 3.45Å; L908-T912 HydrophobicContact CD1-CG2 4.16Å; L908-T912 WeakPolarHBondContact CG-O 3.43Å; L908-T912 PolarHBondContact N-O 3.37Å; N910-T912 PolarHBondContact ND2-OG1 2.89Å; N910-T912 PolarHBondContact O-N 3.08Å; N910-T912 VanDerWaalsContact OD1-CB 3.28Å; N910-T912 WeakPolarHBondContact OD1-CB 3.33Å; N910-T912 PolarHBondContact OD1-N 3.27Å; N910-T912 VanDerWaalsContact OD1-N 3.09Å; N910-T912 PolarHBondContact OD1-OG1 3.1Å; N910-T912 VanDerWaalsContact OD1-OG1 3.04Å; T912-R914 HydrophobicContact CG2-CG 4.4Å
913	V	97.2	Very high	95.6	Very high	11 Å²	11	22.3 Å²	22.3	7%	0.067	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	136.7	175.3	-175.6	0	0	0	0	108.4	I905 A906 I907 K911 M950 G953	I905-V913 HydrophobicContact CB-CG1 4.13Å; I905-V913 HydrophobicContact CD1-CG1 4.07Å; I905-V913 HydrophobicContact CG2-CG1 4.36Å; A906-V913 WeakPolarHBondContact O-CA 3.31Å; I907-V913 HydrophobicContact CG1-CG2 4.44Å; K911-V913 PolarHBondContact O-N 3.39Å; V913-M950 HydrophobicContact CB-CE 3.98Å; V913-M950 HydrophobicContact CB-SD 4.1Å; V913-M950 HydrophobicContact CG1-CE 4.36Å; V913-M950 HydrophobicContact CG1-SD 3.81Å; V913-M950 WeakPolarHBondContact O-CE 3.25Å; V913-G953 VanDerWaalsContact CG2-C 3.49Å
914	R	96.1	Very high	94.4	Very high	87 Å²	87	23.6 Å²	23.6	33%	0.328	12%	0.12	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	136.5	173.5	-61.4	-179.7	-180	167.5	3.6	109.1	E518 I905 A906 T912 V916	E518-R914 IonicContact OE1-NH1 2.94Å; E518-R914 PolarHBondContact OE1-NH1 3.43Å; E518-R914 IonicContact OE2-CZ 3.31Å; E518-R914 IonicContact OE2-NH1 3.69Å; E518-R914 PolarHBondContact OE2-NH1 3.46Å; E518-R914 IonicContact OE2-NH2 3.63Å; E518-R914 PolarHBondContact OE2-NH2 2.71Å; I905-R914 CarbonylContact C-O 3.56Å; I905-R914 VanDerWaalsContact CA-O 3.23Å; I905-R914 WeakPolarHBondContact CA-O 3.31Å; A906-R914 PolarHBondContact N-O 2.9Å; A906-R914 PolarHBondContact O-N 2.88Å; T912-R914 HydrophobicContact CG2-CG 4.4Å; R914-V916 HydrophobicContact CB-CG1 4.37Å
915	I	97.7	Very high	92.8	Very high	16 Å²	16	30.7 Å²	30.7	8%	0.082	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	130	166.7	-65.1	163.5	0	0	0	107.5	V903 I905 N946 M950 F1009 I1011	V903-I915 HydrophobicContact CG1-CB 4.49Å; V903-I915 HydrophobicContact CG1-CD1 4.48Å; V903-I915 HydrophobicContact CG1-CG1 4.13Å; V903-I915 HydrophobicContact CG1-CG2 3.65Å; I905-I915 HydrophobicContact CG2-CG1 3.85Å; I915-N946 HydrophobicContact CD1-CB 4.33Å; I915-N946 WeakPolarHBondContact CD1-OD1 3.17Å; I915-M950 HydrophobicContact CD1-CG 4.43Å; I915-M950 HydrophobicContact CD1-SD 4.5Å; I915-M950 HydrophobicContact CG1-SD 4.39Å; I915-F1009 HydrophobicContact CG2-CE1 3.83Å; I915-F1009 HydrophobicContact CG2-CZ 4.46Å; I915-I1011 HydrophobicContact CB-CD1 3.73Å; I915-I1011 HydrophobicContact CD1-CD1 3.75Å; I915-I1011 HydrophobicContact CG1-CD1 4.28Å; I915-I1011 HydrophobicContact CG2-CD1 4.13Å
916	V	96.9	Very high	91.4	Very high	34 Å²	34	34.3 Å²	34.3	21%	0.206	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	-16.8	-172.1	-65.7	0	0	0	0	113.7	V904 A906 R914 Y964 L995 F1009	V904-V916 HydrophobicContact CB-CG2 4.08Å; V904-V916 HydrophobicContact CG1-CG2 3.85Å; V904-V916 WeakPolarHBondContact O-CG2 3.21Å; V904-V916 PolarHBondContact O-N 3.01Å; A906-V916 HydrophobicContact CB-CG1 3.78Å; A906-V916 HydrophobicContact CB-CG2 4.38Å; R914-V916 HydrophobicContact CB-CG1 4.37Å; V916-Y964 HydrophobicContact CG2-CD1 4.19Å; V916-Y964 HydrophobicContact CG2-CE1 4.23Å; V916-L995 HydrophobicContact CB-CD1 4.35Å; V916-L995 HydrophobicContact CG2-CD1 3.79Å; V916-F1009 WeakPolarHBondContact O-CB 3.47Å; V916-F1009 WeakPolarHBondContact O-CG 3.36Å
917	A	97.7	Very high	90.1	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	155.3	172.5	0	0	0	0	0	110.1	V904 L994 L995 T998	V904-A917 HydrophobicContact CB-CB 4.03Å; V904-A917 HydrophobicContact CG2-CB 4.04Å; V904-A917 PolarHBondContact N-O 2.9Å; V904-A917 PolarHBondContact O-N 3.04Å; A917-L994 HydrophobicContact CB-CG 4.38Å; A917-L995 HydrophobicContact CB-CD1 4.26Å; A917-T998 HydrophobicContact CB-CG2 3.93Å; A917-T998 WeakPolarHBondContact CB-OG1 3.11Å
918	S	97.7	Very high	89	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	156.6	166.1	71.1	0	0	0	0	110.9	S902 P936 M937 H1018	S902-S918 CarbonylContact O-C 3.52Å; S902-S918 VanDerWaalsContact O-CA 3.23Å; S902-S918 WeakPolarHBondContact O-CA 3.23Å; S918-P936 WeakPolarHBondContact O-CA 3.47Å; S918-M937 PolarHBondContact O-N 3.37Å; S918-M937 WeakPolarHBondContact OG-CB 3.23Å; S918-M937 PolarHBondContact OG-N 3.42Å; S918-M937 VanDerWaalsContact OG-N 3.11Å; S918-H1018 WeakPolarHBondContact CB-ND1 2.98Å; S918-H1018 PolarHBondContact OG-ND1 3.05Å
919	G	96.3	Very high	88.2	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	153	176.9	0	0	0	0	0	113.9	L901 S902 T934	L901-G919 CarbonylContact C-O 3.49Å; L901-G919 VanDerWaalsContact CA-O 3.27Å; L901-G919 WeakPolarHBondContact CA-O 3.3Å; L901-G919 WeakPolarHBondContact CB-O 3.34Å; S902-G919 PolarHBondContact N-O 2.84Å; S902-G919 PolarHBondContact O-N 3.46Å; G919-T934 WeakPolarHBondContact CA-O 3.23Å
920	D	95.3	Very high	88	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	132.5	167.9	-50.4	-58.4	0	0	0	108.3	E933 T934 M937 S938 S939	D920-E933 CarbonylContact O-C 3.45Å; D920-E933 WeakPolarHBondContact O-CA 3.33Å; D920-T934 HydrophobicContact CB-CG2 4.23Å; D920-T934 VanDerWaalsContact CB-OG1 3.22Å; D920-T934 WeakPolarHBondContact CB-OG1 3.49Å; D920-T934 PolarHBondContact N-OG1 2.81Å; D920-T934 PolarHBondContact O-N 3.46Å; D920-T934 PolarHBondContact OD2-OG1 3.19Å; D920-M937 WeakPolarHBondContact OD1-CG 3.43Å; D920-S938 PolarHBondContact OD1-N 2.75Å; D920-S938 PolarHBondContact OD2-N 2.88Å; D920-S938 PolarHBondContact OD2-OG 3.37Å; D920-S939 WeakPolarHBondContact OD1-CB 3.32Å; D920-S939 PolarHBondContact OD1-N 3.3Å; D920-S939 PolarHBondContact OD1-OG 2.88Å; D920-S939 PolarHBondContact OD2-N 3.08Å
921	Q	93.9	Very high	87.9	Confident	13 Å²	13	39.7 Å²	39.7	6%	0.061	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	137	-179.9	-62.4	-179.9	21	0	0	110.5	N900 S902 H923 T930 E933 D968	N900-Q921 HydrophobicContact CB-CB 3.84Å; N900-Q921 HydrophobicContact CB-CG 4.11Å; N900-Q921 PolarHBondContact O-N 2.67Å; S902-Q921 PolarHBondContact OG-NE2 3.36Å; Q921-H923 PolarHBondContact OE1-CE1 3.34Å; Q921-H923 VanDerWaalsContact OE1-CE1 3.3Å; Q921-T930 HydrophobicContact CB-CG2 3.77Å; Q921-T930 HydrophobicContact CG-CG2 4.08Å; Q921-T930 PolarHBondContact OE1-OG1 3.49Å; Q921-T930 VanDerWaalsContact OE1-OG1 3.06Å; Q921-E933 HydrophobicContact CG-CG 4.46Å; Q921-D968 PolarHBondContact NE2-OD1 2.83Å
922	L	92.1	Very high	87.9	Confident	4 Å²	4	34.2 Å²	34.2	2%	0.021	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	130	176.6	-53.8	172.6	0	0	0	109.3	T930 W931 G932 T934 V1049 I1147	L922-T930 VanDerWaalsContact O-CA 3.31Å; L922-T930 WeakPolarHBondContact O-CA 3.31Å; L922-W931 HydrophobicContact CB-CD2 4.32Å; L922-W931 HydrophobicContact CB-CH2 4.17Å; L922-W931 HydrophobicContact CB-CZ2 3.48Å; L922-W931 VanDerWaalsContact CB-CZ2 3.48Å; L922-W931 HydrophobicContact CD1-CH2 3.54Å; L922-W931 HydrophobicContact CD1-CZ2 3.65Å; L922-W931 HydrophobicContact CD1-CZ3 4.29Å; L922-W931 HydrophobicContact CG-CH2 4.5Å; L922-W931 HydrophobicContact CG-CZ2 4.16Å; L922-W931 PolarHBondContact O-N 3.32Å; L922-G932 WeakPolarHBondContact CB-O 3.37Å; L922-G932 PolarHBondContact N-O 3.38Å; L922-T934 HydrophobicContact CD1-CG2 4.44Å; L922-T934 HydrophobicContact CD2-CG2 4.25Å; L922-V1049 HydrophobicContact CD1-CG1 3.85Å; L922-I1147 HydrophobicContact CD2-CD1 3.82Å
923	H	85.8	Confident	87.9	Confident	27 Å²	27	32.8 Å²	32.8	13%	0.125	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	125.7	-165.7	-61.8	-56.5	0	0	0	112.7	N900 Q921 Y929 T930 E1143	N900-H923 VanDerWaalsContact CB-NE2 3.3Å; N900-H923 WeakPolarHBondContact CB-NE2 3.35Å; N900-H923 PolarHBondContact OD1-NE2 3.45Å; Q921-H923 PolarHBondContact OE1-CE1 3.34Å; Q921-H923 VanDerWaalsContact OE1-CE1 3.3Å; H923-Y929 WeakPolarHBondContact CA-O 3.38Å; H923-Y929 PolarHBondContact ND1-O 3.28Å; H923-T930 PolarHBondContact CE1-OG1 3.32Å; H923-T930 PolarHBondContact ND1-OG1 3.01Å; H923-E1143 PolarHBondContact N-OE1 3.15Å
924	S	71.8	Confident	87.9	Confident	27 Å²	27	32.4 Å²	32.4	19%	0.189	15%	0.154	C	C	.	.			trans	-70.3	-166.4	175.5	57.8	0	0	0	0	111.9	D926 S1139 E1143	S924-D926 CarbonylContact O-C 3.54Å; S924-D926 PolarHBondContact O-N 2.91Å; S924-D926 VanDerWaalsContact O-O 3.12Å; S924-S1139 WeakPolarHBondContact CB-OG 3.47Å; S924-E1143 WeakPolarHBondContact CA-OE2 3.44Å; S924-E1143 PolarHBondContact N-OE2 3.4Å
925	E	65.7	Low	87.9	Confident	149 Å²	149	28.3 Å²	28.3	70%	0.696	14%	0.139	S	C	*	.	S	Bend	trans	-42.2	-32.3	-175.5	-60.1	-173.5	158.3	0	0	115.2
926	D	68.1	Low	87.9	Confident	75 Å²	75	27.7 Å²	27.7	40%	0.401	14%	0.135	S	C	.	.	S	Bend	trans	-93.4	114.7	166.5	-62.3	-29.2	0	0	0	111.4	S924 F928 Y929	S924-D926 CarbonylContact O-C 3.54Å; S924-D926 PolarHBondContact O-N 2.91Å; S924-D926 VanDerWaalsContact O-O 3.12Å; D926-F928 PolarHBondContact O-N 2.92Å; D926-Y929 PolarHBondContact O-N 3.28Å
927	K	70.8	Confident	87.7	Confident	85 Å²	85	26.3 Å²	26.3	37%	0.37	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	2	177.7	-66.8	176.2	-179	158.6	0	116.1	D896 W898	D896-K927 VanDerWaalsContact O-CE 3.23Å; D896-K927 WeakPolarHBondContact O-CE 3.4Å; D896-K927 PolarHBondContact O-NZ 2.89Å; W898-K927 HydrophobicContact CH2-CB 4.29Å; W898-K927 HydrophobicContact CH2-CD 3.65Å; W898-K927 HydrophobicContact CZ2-CB 3.8Å; W898-K927 HydrophobicContact CZ2-CD 3.9Å; W898-K927 HydrophobicContact CZ2-CG 4.46Å; W898-K927 HydrophobicContact CZ3-CD 4.01Å
928	F	75.2	Confident	87.3	Confident	21 Å²	21	28 Å²	28	9%	0.092	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.9	-22.9	-175.6	-54.8	-79.5	0	0	0	112	L800 K810 Y815 F867 W898 D926	L800-F928 HydrophobicContact CD1-CD1 4.15Å; L800-F928 HydrophobicContact CD1-CE1 3.83Å; L800-F928 HydrophobicContact CD2-CD1 4.06Å; L800-F928 HydrophobicContact CD2-CE1 3.62Å; L800-F928 HydrophobicContact CD2-CZ 3.85Å; L800-F928 HydrophobicContact CG-CE1 4.14Å; K810-F928 HydrophobicContact CD-CB 4.3Å; K810-F928 WeakPolarHBondContact CD-O 3.08Å; K810-F928 VanDerWaalsContact CE-O 3.25Å; K810-F928 WeakPolarHBondContact CE-O 2.96Å; K810-F928 PolarHBondContact NZ-O 3.44Å; Y815-F928 AromaticContact CD2-CE2 3.72Å; Y815-F928 HydrophobicContact CD2-CE2 3.72Å; Y815-F928 AromaticContact CD2-CZ 3.87Å; Y815-F928 HydrophobicContact CD2-CZ 3.87Å; Y815-F928 AromaticContact CE2-CE2 3.99Å; Y815-F928 HydrophobicContact CE2-CE2 3.99Å; Y815-F928 HydrophobicContact CE2-CZ 4.1Å; F867-F928 HydrophobicContact CD1-CB 4.28Å; F867-F928 HydrophobicContact CE1-CB 3.66Å; F867-F928 AromaticContact CE1-CD2 3.28Å; F867-F928 HydrophobicContact CE1-CD2 3.28Å; F867-F928 HydrophobicContact CE1-CE2 4.12Å; F867-F928 AromaticContact CE1-CG 3.69Å; F867-F928 HydrophobicContact CE1-CG 3.69Å; F867-F928 HydrophobicContact CE2-CB 4.13Å; F867-F928 HydrophobicContact CE2-CD2 4.29Å; F867-F928 HydrophobicContact CE2-CG 4.08Å; F867-F928 HydrophobicContact CZ-CB 3.58Å; F867-F928 HydrophobicContact CZ-CD1 4.07Å; F867-F928 AromaticContact CZ-CD2 3.13Å; F867-F928 HydrophobicContact CZ-CD2 3.13Å; F867-F928 AromaticContact CZ-CE2 3.73Å; F867-F928 HydrophobicContact CZ-CE2 3.73Å; F867-F928 AromaticContact CZ-CG 3.29Å; F867-F928 HydrophobicContact CZ-CG 3.29Å; F867-F928 HydrophobicContact CZ-CZ 4.43Å; W898-F928 HydrophobicContact CH2-CZ 4.11Å; W898-F928 AromaticContact CZ2-CE1 3.95Å; W898-F928 HydrophobicContact CZ2-CE1 3.95Å; W898-F928 AromaticContact CZ2-CZ 3.94Å; W898-F928 HydrophobicContact CZ2-CZ 3.94Å; D926-F928 PolarHBondContact O-N 2.92Å
929	Y	79.5	Confident	86.6	Confident	81 Å²	81	28.4 Å²	28.4	32%	0.318	14%	0.142	S	C	.	.			trans	-91.5	112.5	179.6	-177.9	-96.7	0	0	0	111.1	H923 D926 W931	H923-Y929 WeakPolarHBondContact CA-O 3.38Å; H923-Y929 PolarHBondContact ND1-O 3.28Å; D926-Y929 PolarHBondContact O-N 3.28Å; Y929-W931 HydrophobicContact CE1-CB 4.22Å
930	T	88	Confident	86.1	Confident	18 Å²	18	28.6 Å²	28.6	11%	0.11	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	120.4	175.8	-44.9	0	0	0	0	110.1	Q921 L922 H923 G932 E933 R1053	Q921-T930 HydrophobicContact CB-CG2 3.77Å; Q921-T930 HydrophobicContact CG-CG2 4.08Å; Q921-T930 PolarHBondContact OE1-OG1 3.49Å; Q921-T930 VanDerWaalsContact OE1-OG1 3.06Å; L922-T930 VanDerWaalsContact O-CA 3.31Å; L922-T930 WeakPolarHBondContact O-CA 3.31Å; H923-T930 PolarHBondContact CE1-OG1 3.32Å; H923-T930 PolarHBondContact ND1-OG1 3.01Å; T930-G932 WeakPolarHBondContact CG2-O 3.5Å; T930-E933 HydrophobicContact CG2-CG 4.11Å; T930-R1053 WeakPolarHBondContact O-CD 3.25Å; T930-R1053 PolarHBondContact O-NH1 3.38Å
931	W	90.2	Very high	85.5	Confident	3 Å²	3	31.4 Å²	31.4	1%	0.011	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	-25.3	172.9	64	-95.8	0	0	0	112.3	L922 Y929 V1049 S1051 L1054 F1115 V1140 E1143 M1144	L922-W931 HydrophobicContact CB-CD2 4.32Å; L922-W931 HydrophobicContact CB-CH2 4.17Å; L922-W931 HydrophobicContact CB-CZ2 3.48Å; L922-W931 VanDerWaalsContact CB-CZ2 3.48Å; L922-W931 HydrophobicContact CD1-CH2 3.54Å; L922-W931 HydrophobicContact CD1-CZ2 3.65Å; L922-W931 HydrophobicContact CD1-CZ3 4.29Å; L922-W931 HydrophobicContact CG-CH2 4.5Å; L922-W931 HydrophobicContact CG-CZ2 4.16Å; L922-W931 PolarHBondContact O-N 3.32Å; Y929-W931 HydrophobicContact CE1-CB 4.22Å; W931-V1049 HydrophobicContact CH2-CG1 4.49Å; W931-S1051 WeakPolarHBondContact O-CB 3.49Å; W931-S1051 PolarHBondContact O-OG 2.82Å; W931-L1054 HydrophobicContact CE3-CD2 4.31Å; W931-F1115 HydrophobicContact CH2-CE1 4.02Å; W931-F1115 HydrophobicContact CH2-CZ 4.42Å; W931-F1115 AromaticContact CZ3-CE1 3.59Å; W931-F1115 HydrophobicContact CZ3-CE1 3.59Å; W931-F1115 AromaticContact CZ3-CZ 3.64Å; W931-F1115 HydrophobicContact CZ3-CZ 3.64Å; W931-V1140 HydrophobicContact CB-CG2 4.22Å; W931-V1140 HydrophobicContact CD2-CB 4.34Å; W931-V1140 HydrophobicContact CD2-CG1 3.85Å; W931-V1140 HydrophobicContact CD2-CG2 3.63Å; W931-V1140 HydrophobicContact CE3-CG1 3.7Å; W931-V1140 HydrophobicContact CE3-CG2 3.98Å; W931-V1140 HydrophobicContact CG-CG2 3.71Å; W931-V1140 HydrophobicContact CH2-CG1 3.51Å; W931-V1140 HydrophobicContact CZ2-CG1 3.63Å; W931-V1140 HydrophobicContact CZ3-CG1 3.55Å; W931-E1143 VanDerWaalsContact NE1-CD 3.29Å; W931-E1143 PolarHBondContact NE1-OE1 2.8Å; W931-E1143 PolarHBondContact NE1-OE2 3.32Å; W931-M1144 HydrophobicContact CH2-CG 4.02Å; W931-M1144 HydrophobicContact CH2-SD 4.01Å; W931-M1144 HydrophobicContact CZ2-CG 4.03Å
932	G	93.8	Very high	85.1	Confident	5 Å²	5	31 Å²	31	5%	0.052	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	173.6	-177.1	0	0	0	0	0	111.9	L922 T930 V1050	L922-G932 WeakPolarHBondContact CB-O 3.37Å; L922-G932 PolarHBondContact N-O 3.38Å; T930-G932 WeakPolarHBondContact CG2-O 3.5Å; G932-V1050 CarbonylContact C-O 3.45Å; G932-V1050 WeakPolarHBondContact CA-O 2.97Å
933	E	96.1	Very high	84.9	Confident	31 Å²	31	33 Å²	33	15%	0.145	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	150.6	-177	-67.7	166.4	151.9	0	0	110.3	D920 Q921 T930 L994 V1050	D920-E933 CarbonylContact O-C 3.45Å; D920-E933 WeakPolarHBondContact O-CA 3.33Å; Q921-E933 HydrophobicContact CG-CG 4.46Å; T930-E933 HydrophobicContact CG2-CG 4.11Å; E933-L994 HydrophobicContact CB-CD1 4.38Å; E933-L994 WeakPolarHBondContact OE2-CB 3.1Å; E933-L994 VanDerWaalsContact OE2-CD1 3.31Å; E933-L994 WeakPolarHBondContact OE2-CD1 3.43Å; E933-V1050 HydrophobicContact CB-CG2 4.2Å; E933-V1050 PolarHBondContact N-O 3.48Å; E933-V1050 WeakPolarHBondContact O-CG2 3.35Å; E933-V1050 PolarHBondContact O-N 3.03Å
934	T	96.4	Very high	84.8	Confident	4 Å²	4	31.9 Å²	31.9	3%	0.025	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	157.2	166.4	69.2	0	0	0	0	110	G919 D920 L922 A1048 L1108	G919-T934 WeakPolarHBondContact CA-O 3.23Å; D920-T934 HydrophobicContact CB-CG2 4.23Å; D920-T934 VanDerWaalsContact CB-OG1 3.22Å; D920-T934 WeakPolarHBondContact CB-OG1 3.49Å; D920-T934 PolarHBondContact N-OG1 2.81Å; D920-T934 PolarHBondContact O-N 3.46Å; D920-T934 PolarHBondContact OD2-OG1 3.19Å; L922-T934 HydrophobicContact CD1-CG2 4.44Å; L922-T934 HydrophobicContact CD2-CG2 4.25Å; T934-A1048 CarbonylContact C-O 3.58Å; T934-A1048 VanDerWaalsContact CA-O 3.28Å; T934-A1048 WeakPolarHBondContact CA-O 3.46Å; T934-L1108 HydrophobicContact CG2-CD1 3.72Å
935	I	97.3	Very high	85.8	Confident	1 Å²	1	30.6 Å²	30.6	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	128.4	171.5	-53.9	175.6	0	0	0	109	L994 T998 V1001 I1020 Y1047 A1048 V1050	I935-L994 HydrophobicContact CD1-CD1 4.01Å; I935-L994 HydrophobicContact CG1-CD1 3.93Å; I935-T998 WeakPolarHBondContact CD1-OG1 3.32Å; I935-V1001 HydrophobicContact CD1-CG2 4.2Å; I935-I1020 HydrophobicContact CG2-CD1 3.58Å; I935-Y1047 CarbonylContact O-C 3.52Å; I935-Y1047 WeakPolarHBondContact O-CA 3.37Å; I935-A1048 HydrophobicContact CB-CB 4.31Å; I935-A1048 PolarHBondContact N-O 3.37Å; I935-A1048 PolarHBondContact O-N 2.9Å; I935-V1050 HydrophobicContact CD1-CB 4.41Å; I935-V1050 HydrophobicContact CD1-CG1 3.71Å; I935-V1050 HydrophobicContact CD1-CG2 3.77Å; I935-V1050 HydrophobicContact CG1-CG1 4.4Å; I935-V1050 HydrophobicContact CG1-CG2 4.18Å
936	P	96.4	Very high	87.1	Confident	2 Å²	2	24.2 Å²	24.2	1%	0.013	13%	0.125	C	C	.	.	S	Bend	cis	-71.5	171.3	-13.8	32	-33.7	0	0	0	111.4	S918 F1009 H1018 Y1047	S918-P936 WeakPolarHBondContact O-CA 3.47Å; P936-F1009 HydrophobicContact CB-CE2 4.01Å; P936-F1009 HydrophobicContact CB-CZ 4.49Å; P936-H1018 HydrophobicContact CB-CB 3.72Å; P936-H1018 HydrophobicContact CG-CB 4.36Å; P936-H1018 VanDerWaalsContact CG-O 3.27Å; P936-H1018 WeakPolarHBondContact CG-O 3.3Å; P936-Y1047 HydrophobicContact CG-CE1 4.49Å
937	M	94	Very high	88	Confident	6 Å²	6	24.1 Å²	24.1	3%	0.03	13%	0.125	C	C	.	.			trans	-53	139.4	165.5	-179.6	-141.9	-46.8	0	0	111.8	L901 V903 S918 D920 V940 V945	L901-M937 HydrophobicContact CB-CG 4.13Å; L901-M937 HydrophobicContact CD1-CE 3.56Å; L901-M937 HydrophobicContact CD1-CG 4Å; L901-M937 HydrophobicContact CD1-SD 3.4Å; L901-M937 WeakPolarHBondContact CD1-SD 3.25Å; V903-M937 HydrophobicContact CG2-CE 3.34Å; S918-M937 PolarHBondContact O-N 3.37Å; S918-M937 WeakPolarHBondContact OG-CB 3.23Å; S918-M937 PolarHBondContact OG-N 3.42Å; S918-M937 VanDerWaalsContact OG-N 3.11Å; D920-M937 WeakPolarHBondContact OD1-CG 3.43Å; M937-V940 HydrophobicContact SD-CB 4.38Å; M937-V945 HydrophobicContact CE-CB 4.16Å; M937-V945 HydrophobicContact CE-CG1 3.87Å; M937-V945 HydrophobicContact CE-CG2 4.13Å; M937-V945 HydrophobicContact SD-CG2 4.06Å
938	S	88.3	Confident	89	Confident	36 Å²	36	20.3 Å²	20.3	25%	0.252	11%	0.108	S	C	.	.			trans	-133.1	-9.9	-178.8	59.6	0	0	0	0	114.2	D920 L1108	D920-S938 PolarHBondContact OD1-N 2.75Å; D920-S938 PolarHBondContact OD2-N 2.88Å; D920-S938 PolarHBondContact OD2-OG 3.37Å; S938-L1108 VanDerWaalsContact OG-CD2 3.3Å; S938-L1108 WeakPolarHBondContact OG-CD2 3.42Å
939	S	84.5	Confident	90	Very high	8 Å²	8	19.3 Å²	19.3	6%	0.056	10%	0.104	C	C	.	.	S	Bend	trans	-72.9	-31.2	-174.5	59.6	0	0	0	0	114.6	V727 D920	V727-S939 WeakPolarHBondContact CG1-O 3.3Å; D920-S939 WeakPolarHBondContact OD1-CB 3.32Å; D920-S939 PolarHBondContact OD1-N 3.3Å; D920-S939 PolarHBondContact OD1-OG 2.88Å; D920-S939 PolarHBondContact OD2-N 3.08Å
940	V	85.4	Confident	90.7	Very high	4 Å²	4	18.9 Å²	18.9	2%	0.024	11%	0.106	C	C	.	.	S	Bend	trans	-123.7	152.1	-173.7	-176.7	0	0	0	0	110.7	L901 M937 P942 W944 V945 T971 L982	L901-V940 HydrophobicContact CD1-CG2 4.37Å; L901-V940 HydrophobicContact CD2-CG2 4.02Å; M937-V940 HydrophobicContact SD-CB 4.38Å; V940-P942 WeakPolarHBondContact O-CD 3.32Å; V940-P942 VanDerWaalsContact O-N 3.08Å; V940-W944 HydrophobicContact CG1-CD2 4.49Å; V940-W944 HydrophobicContact CG1-CE3 3.54Å; V940-W944 HydrophobicContact CG1-CZ3 4.14Å; V940-V945 HydrophobicContact CB-CG2 4.18Å; V940-V945 HydrophobicContact CG1-CG2 3.96Å; V940-T971 HydrophobicContact CG2-CG2 3.47Å; V940-T971 VanDerWaalsContact CG2-CG2 3.47Å; V940-L982 HydrophobicContact CG2-CD1 4.3Å
941	T	82.9	Confident	90.9	Very high	59 Å²	59	19 Å²	19	36%	0.362	11%	0.111	S	C	.	.			trans	-52.2	114.2	169.4	-62.3	0	0	0	0	110.7	L943 W944	T941-L943 VanDerWaalsContact C-N 3.31Å; T941-L943 HydrophobicContact CG2-CB 4.28Å; T941-L943 PolarHBondContact O-N 2.92Å; T941-W944 WeakPolarHBondContact O-CB 3.42Å; T941-W944 PolarHBondContact O-N 3.36Å; T941-W944 VanDerWaalsContact O-N 3.09Å
942	P	85.4	Confident	91.1	Very high	5 Å²	5	18.9 Å²	18.9	3%	0.032	11%	0.111	C	C	.	.	H	α-helix	trans	-62.2	-33.1	-172	-31.3	41.1	0	0	0	114.2	V940 W944 V945 N946 G1016	V940-P942 WeakPolarHBondContact O-CD 3.32Å; V940-P942 VanDerWaalsContact O-N 3.08Å; P942-W944 PolarHBondContact O-N 2.92Å; P942-V945 PolarHBondContact O-N 3.13Å; P942-N946 VanDerWaalsContact O-CB 3.32Å; P942-N946 WeakPolarHBondContact O-CB 3.42Å; P942-N946 PolarHBondContact O-N 3.45Å; P942-N946 PolarHBondContact O-ND2 3.47Å; P942-G1016 WeakPolarHBondContact CB-O 3.39Å
943	L	86.7	Confident	91.2	Very high	45 Å²	45	18.7 Å²	18.7	24%	0.236	11%	0.108	C	C	.	.	H	α-helix	trans	-54.6	-39.9	175.4	-74.8	164.2	0	0	0	112.3	T941 N947 T1015	T941-L943 VanDerWaalsContact C-N 3.31Å; T941-L943 HydrophobicContact CG2-CB 4.28Å; T941-L943 PolarHBondContact O-N 2.92Å; L943-N947 PolarHBondContact O-N 3.05Å; L943-N947 VanDerWaalsContact O-N 3.14Å; L943-N947 PolarHBondContact O-ND2 3.21Å; L943-T1015 WeakPolarHBondContact CG-O 3.37Å
944	W	85.3	Confident	91.2	Very high	5 Å²	5	19.8 Å²	19.8	2%	0.019	12%	0.119	C	C	.	.	H	α-helix	trans	-64.2	-51	179.2	-171.4	18.3	0	0	0	110.8	W765 I767 V940 T941 P942 N946 N947 L948 Q980 L982	W765-W944 HydrophobicContact CB-CD2 4.3Å; W765-W944 HydrophobicContact CB-CE3 4.18Å; W765-W944 HydrophobicContact CB-CH2 3.26Å; W765-W944 HydrophobicContact CB-CZ2 3.45Å; W765-W944 VanDerWaalsContact CB-CZ2 3.45Å; W765-W944 HydrophobicContact CB-CZ3 3.68Å; W765-W944 AromaticContact CD1-CE3 3.88Å; W765-W944 AromaticContact CD1-CZ3 3.84Å; W765-W944 HydrophobicContact CG-CE3 4.38Å; W765-W944 HydrophobicContact CG-CH2 4.05Å; W765-W944 AromaticContact CG-CZ3 3.99Å; W765-W944 HydrophobicContact CG-CZ3 3.99Å; W765-W944 WeakPolarHBondContact O-CZ2 2.94Å; I767-W944 HydrophobicContact CG1-CZ2 4.08Å; I767-W944 VanDerWaalsContact CG1-NE1 3.26Å; V940-W944 HydrophobicContact CG1-CD2 4.49Å; V940-W944 HydrophobicContact CG1-CE3 3.54Å; V940-W944 HydrophobicContact CG1-CZ3 4.14Å; T941-W944 WeakPolarHBondContact O-CB 3.42Å; T941-W944 PolarHBondContact O-N 3.36Å; T941-W944 VanDerWaalsContact O-N 3.09Å; P942-W944 PolarHBondContact O-N 2.92Å; W944-N946 VanDerWaalsContact C-N 3.32Å; W944-N946 PolarHBondContact O-N 3Å; W944-N947 PolarHBondContact O-N 2.99Å; W944-L948 WeakPolarHBondContact O-CG 3.47Å; W944-L948 PolarHBondContact O-N 3.43Å; W944-Q980 HydrophobicContact CZ3-CG 4.38Å; W944-L982 HydrophobicContact CD2-CB 4.19Å; W944-L982 HydrophobicContact CD2-CD2 3.78Å; W944-L982 HydrophobicContact CE3-CB 4.03Å; W944-L982 HydrophobicContact CE3-CD2 4.02Å; W944-L982 HydrophobicContact CG-CD2 4.27Å; W944-L982 HydrophobicContact CH2-CB 3.14Å; W944-L982 HydrophobicContact CH2-CD2 4.5Å; W944-L982 HydrophobicContact CH2-CG 4.4Å; W944-L982 HydrophobicContact CZ2-CB 3.26Å; W944-L982 HydrophobicContact CZ2-CD2 4.25Å; W944-L982 HydrophobicContact CZ2-CG 4.4Å; W944-L982 HydrophobicContact CZ3-CB 3.54Å; W944-L982 HydrophobicContact CZ3-CD2 4.37Å; W944-L982 HydrophobicContact CZ3-CG 4.48Å
945	V	91.2	Very high	91.2	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-68.1	-33.8	-178.8	-169.6	0	0	0	0	111.8	L901 V903 M937 V940 P942 L948 S949 F969 L982	L901-V945 HydrophobicContact CD1-CG2 4.1Å; V903-V945 HydrophobicContact CB-CG1 4.45Å; V903-V945 HydrophobicContact CG2-CG1 3.47Å; V903-V945 VanDerWaalsContact CG2-CG1 3.47Å; M937-V945 HydrophobicContact CE-CB 4.16Å; M937-V945 HydrophobicContact CE-CG1 3.87Å; M937-V945 HydrophobicContact CE-CG2 4.13Å; M937-V945 HydrophobicContact SD-CG2 4.06Å; V940-V945 HydrophobicContact CB-CG2 4.18Å; V940-V945 HydrophobicContact CG1-CG2 3.96Å; P942-V945 PolarHBondContact O-N 3.13Å; V945-L948 PolarHBondContact O-N 3.25Å; V945-S949 WeakPolarHBondContact O-CB 3.33Å; V945-S949 PolarHBondContact O-N 3.39Å; V945-S949 PolarHBondContact O-OG 3.23Å; V945-F969 HydrophobicContact CG1-CD2 4.18Å; V945-F969 HydrophobicContact CG1-CE1 4.34Å; V945-F969 HydrophobicContact CG1-CE2 3.67Å; V945-F969 HydrophobicContact CG1-CZ 3.77Å; V945-L982 HydrophobicContact CG2-CD2 4.13Å
946	N	92.7	Very high	91.1	Very high	14 Å²	14	20.7 Å²	20.7	8%	0.075	12%	0.124	C	C	.	.	H	α-helix	trans	-58.6	-53	174.9	-76.9	-27.4	0	0	0	111.6	I915 P942 W944 L948 S949 M950 G1016 H1018	I915-N946 HydrophobicContact CD1-CB 4.33Å; I915-N946 WeakPolarHBondContact CD1-OD1 3.17Å; P942-N946 VanDerWaalsContact O-CB 3.32Å; P942-N946 WeakPolarHBondContact O-CB 3.42Å; P942-N946 PolarHBondContact O-N 3.45Å; P942-N946 PolarHBondContact O-ND2 3.47Å; W944-N946 VanDerWaalsContact C-N 3.32Å; W944-N946 PolarHBondContact O-N 3Å; N946-L948 VanDerWaalsContact C-N 3.31Å; N946-L948 PolarHBondContact O-N 3.08Å; N946-S949 PolarHBondContact O-N 3.43Å; N946-M950 VanDerWaalsContact O-CB 3.28Å; N946-M950 WeakPolarHBondContact O-CB 3.37Å; N946-M950 WeakPolarHBondContact O-CG 3.28Å; N946-M950 PolarHBondContact O-N 2.89Å; N946-G1016 PolarHBondContact ND2-O 2.82Å; N946-H1018 PolarHBondContact OD1-NE2 3.01Å
947	N	88.8	Confident	91.1	Very high	74 Å²	74	20.8 Å²	20.8	40%	0.396	13%	0.125	S	C	.	.	H	α-helix	trans	-61.1	-42.2	-177.9	-71.4	-17.3	0	0	0	111.7	Y764 L943 W944 G951	Y764-N947 WeakPolarHBondContact CE1-ND2 3.19Å; Y764-N947 PolarHBondContact OH-ND2 3.36Å; L943-N947 PolarHBondContact O-N 3.05Å; L943-N947 VanDerWaalsContact O-N 3.14Å; L943-N947 PolarHBondContact O-ND2 3.21Å; W944-N947 PolarHBondContact O-N 2.99Å; N947-G951 PolarHBondContact O-N 3Å
948	L	91.6	Very high	91.2	Very high	4 Å²	4	26 Å²	26	2%	0.021	15%	0.153	C	C	.	.	H	α-helix	trans	-65.4	-49.6	176.7	-61.5	176.1	0	0	0	111.8	F699 I767 W944 V945 N946 M950 G951 L952 F969 L982	F699-L948 HydrophobicContact CE1-CD2 3.7Å; F699-L948 HydrophobicContact CZ-CD2 4.31Å; I767-L948 HydrophobicContact CD1-CD2 3.53Å; I767-L948 HydrophobicContact CD1-CG 4.5Å; I767-L948 HydrophobicContact CG1-CD1 4.02Å; I767-L948 HydrophobicContact CG1-CD2 3.77Å; I767-L948 HydrophobicContact CG1-CG 4.46Å; I767-L948 HydrophobicContact CG2-CD1 4.43Å; I767-L948 HydrophobicContact CG2-CD2 4.34Å; W944-L948 WeakPolarHBondContact O-CG 3.47Å; W944-L948 PolarHBondContact O-N 3.43Å; V945-L948 PolarHBondContact O-N 3.25Å; N946-L948 VanDerWaalsContact C-N 3.31Å; N946-L948 PolarHBondContact O-N 3.08Å; L948-M950 VanDerWaalsContact C-N 3.29Å; L948-M950 PolarHBondContact O-N 2.93Å; L948-G951 PolarHBondContact O-N 3.26Å; L948-L952 WeakPolarHBondContact O-CB 3.26Å; L948-L952 PolarHBondContact O-N 2.99Å; L948-F969 HydrophobicContact CB-CE1 4.08Å; L948-F969 HydrophobicContact CB-CZ 4.42Å; L948-F969 HydrophobicContact CD1-CE1 3.96Å; L948-L982 HydrophobicContact CD1-CD2 3.52Å
949	S	94.6	Very high	91.5	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-61.4	-40.1	-178.5	-58.9	0	0	0	0	111.4	V945 N946 G953	V945-S949 WeakPolarHBondContact O-CB 3.33Å; V945-S949 PolarHBondContact O-N 3.39Å; V945-S949 PolarHBondContact O-OG 3.23Å; N946-S949 PolarHBondContact O-N 3.43Å; S949-G953 WeakPolarHBondContact O-CA 3.35Å; S949-G953 PolarHBondContact O-N 3.33Å
950	M	94.6	Very high	91.9	Very high	72 Å²	72	30.2 Å²	30.2	36%	0.355	18%	0.176	S	C	.	.	H	α-helix	trans	-71.2	-42.2	177.6	-67.7	-60.9	-66.6	0	0	112.4	V913 I915 N946 L948 S954	V913-M950 HydrophobicContact CB-CE 3.98Å; V913-M950 HydrophobicContact CB-SD 4.1Å; V913-M950 HydrophobicContact CG1-CE 4.36Å; V913-M950 HydrophobicContact CG1-SD 3.81Å; V913-M950 WeakPolarHBondContact O-CE 3.25Å; I915-M950 HydrophobicContact CD1-CG 4.43Å; I915-M950 HydrophobicContact CD1-SD 4.5Å; I915-M950 HydrophobicContact CG1-SD 4.39Å; N946-M950 VanDerWaalsContact O-CB 3.28Å; N946-M950 WeakPolarHBondContact O-CB 3.37Å; N946-M950 WeakPolarHBondContact O-CG 3.28Å; N946-M950 PolarHBondContact O-N 2.89Å; L948-M950 VanDerWaalsContact C-N 3.29Å; L948-M950 PolarHBondContact O-N 2.93Å; M950-S954 WeakPolarHBondContact O-CB 3.2Å; M950-S954 PolarHBondContact O-N 2.97Å; M950-S954 PolarHBondContact O-OG 2.57Å
951	G	92.7	Very high	92.3	Very high	22 Å²	22	30.2 Å²	30.2	23%	0.227	18%	0.176	C	C	.	.	H	α-helix	trans	-64.1	-48.7	176.6	0	0	0	0	0	112.2	N947 L948 S954 L955	N947-G951 PolarHBondContact O-N 3Å; L948-G951 PolarHBondContact O-N 3.26Å; G951-S954 PolarHBondContact O-N 3.18Å; G951-L955 PolarHBondContact O-N 2.72Å
952	L	93.8	Very high	92.9	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-62.1	-45.1	175.7	-155.3	75.8	0	0	0	111.2	L695 F699 L948 S954 L955 M956 I967 I984 I987	L695-L952 HydrophobicContact CD2-CD1 3.15Å; L695-L952 HydrophobicContact CD2-CD2 4.48Å; L695-L952 HydrophobicContact CD2-CG 3.66Å; F699-L952 HydrophobicContact CB-CD1 4.07Å; F699-L952 HydrophobicContact CD1-CD1 4.07Å; F699-L952 HydrophobicContact CG-CD1 4.07Å; L948-L952 WeakPolarHBondContact O-CB 3.26Å; L948-L952 PolarHBondContact O-N 2.99Å; L952-S954 VanDerWaalsContact C-N 3.3Å; L952-S954 PolarHBondContact O-N 3.37Å; L952-L955 WeakPolarHBondContact O-CB 3.15Å; L952-L955 PolarHBondContact O-N 2.92Å; L952-M956 HydrophobicContact CB-CE 4.46Å; L952-M956 HydrophobicContact CD2-CE 4.26Å; L952-M956 HydrophobicContact CG-CE 4.13Å; L952-M956 VanDerWaalsContact O-CG 3.3Å; L952-M956 WeakPolarHBondContact O-CG 3.4Å; L952-M956 PolarHBondContact O-N 3.34Å; L952-I967 HydrophobicContact CB-CD1 4.38Å; L952-I967 HydrophobicContact CD2-CD1 3.69Å; L952-I967 HydrophobicContact CD2-CG1 4.01Å; L952-I967 HydrophobicContact CD2-CG2 3.93Å; L952-I984 HydrophobicContact CD1-CD1 4.47Å; L952-I984 HydrophobicContact CD2-CD1 4.47Å; L952-I987 HydrophobicContact CD2-CD1 3.68Å; L952-I987 HydrophobicContact CD2-CG1 4.09Å; L952-I987 HydrophobicContact CG-CD1 4.33Å
953	G	96.4	Very high	93.5	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-57.1	-42.7	175.4	0	0	0	0	0	112.6	V913 S949 M956 A957	V913-G953 VanDerWaalsContact CG2-C 3.49Å; S949-G953 WeakPolarHBondContact O-CA 3.35Å; S949-G953 PolarHBondContact O-N 3.33Å; G953-M956 PolarHBondContact O-N 2.96Å; G953-A957 WeakPolarHBondContact O-CB 3.32Å; G953-A957 PolarHBondContact O-N 3.19Å
954	S	96.6	Very high	94	Very high	54 Å²	54	27.4 Å²	27.4	38%	0.378	16%	0.158	S	C	.	.	H	α-helix	trans	-66.3	-41	178.1	-59.7	0	0	0	0	111.6	M950 G951 L952 A957 N958	M950-S954 WeakPolarHBondContact O-CB 3.2Å; M950-S954 PolarHBondContact O-N 2.97Å; M950-S954 PolarHBondContact O-OG 2.57Å; G951-S954 PolarHBondContact O-N 3.18Å; L952-S954 VanDerWaalsContact C-N 3.3Å; L952-S954 PolarHBondContact O-N 3.37Å; S954-A957 PolarHBondContact O-N 3.12Å; S954-N958 VanDerWaalsContact O-CG 3.29Å; S954-N958 PolarHBondContact O-N 3.08Å; S954-N958 PolarHBondContact O-ND2 3.13Å
955	L	95.3	Very high	94.5	Very high	25 Å²	25	27.2 Å²	27.2	13%	0.131	16%	0.157	C	C	.	.	H	α-helix	trans	-62.1	-43.9	174.7	-178.2	61	0	0	0	111.6	L695 Q698 F699 G951 L952 N958 K959	L695-L955 HydrophobicContact CD2-CD2 3.83Å; L695-L955 HydrophobicContact CG-CD2 3.88Å; L695-L955 HydrophobicContact CG-CG 4.45Å; Q698-L955 HydrophobicContact CG-CD2 4.33Å; F699-L955 HydrophobicContact CB-CD2 3.97Å; G951-L955 PolarHBondContact O-N 2.72Å; L952-L955 WeakPolarHBondContact O-CB 3.15Å; L952-L955 PolarHBondContact O-N 2.92Å; L955-N958 PolarHBondContact O-N 3.26Å; L955-K959 PolarHBondContact O-N 3.36Å
956	M	96.1	Very high	94.7	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-63.9	-44.5	175.9	-70.1	-167.8	-77.4	0	0	112.1	F686 L695 I905 I907 L952 G953 N958 K959 G960 V961 V965 I967 I987	F686-M956 HydrophobicContact CD1-CG 4.46Å; F686-M956 HydrophobicContact CD1-SD 4.31Å; F686-M956 HydrophobicContact CE1-CB 4.41Å; F686-M956 HydrophobicContact CE1-CG 3.85Å; F686-M956 HydrophobicContact CE1-SD 4.28Å; L695-M956 HydrophobicContact CD1-CG 3.81Å; L695-M956 HydrophobicContact CD2-CG 4.36Å; I905-M956 HydrophobicContact CD1-CE 3.61Å; I907-M956 HydrophobicContact CD1-CB 3.81Å; L952-M956 HydrophobicContact CB-CE 4.46Å; L952-M956 HydrophobicContact CD2-CE 4.26Å; L952-M956 HydrophobicContact CG-CE 4.13Å; L952-M956 VanDerWaalsContact O-CG 3.3Å; L952-M956 WeakPolarHBondContact O-CG 3.4Å; L952-M956 PolarHBondContact O-N 3.34Å; G953-M956 PolarHBondContact O-N 2.96Å; M956-N958 VanDerWaalsContact C-N 3.27Å; M956-N958 PolarHBondContact O-N 2.89Å; M956-K959 CarbonylContact O-C 3.48Å; M956-K959 WeakPolarHBondContact O-CA 2.99Å; M956-K959 PolarHBondContact O-N 2.84Å; M956-G960 PolarHBondContact O-N 3.36Å; M956-V961 HydrophobicContact CB-CB 3.96Å; M956-V961 HydrophobicContact CB-CG1 4.46Å; M956-V961 HydrophobicContact CB-CG2 3.97Å; M956-V961 WeakPolarHBondContact O-CB 3.36Å; M956-V961 WeakPolarHBondContact O-CG2 3.39Å; M956-V961 PolarHBondContact O-N 3.18Å; M956-V965 HydrophobicContact CE-CB 4.38Å; M956-V965 HydrophobicContact CE-CG1 3.9Å; M956-V965 HydrophobicContact SD-CG1 3.97Å; M956-I967 HydrophobicContact CE-CD1 4.35Å; M956-I987 HydrophobicContact SD-CG2 3.77Å
957	A	96.3	Very high	94.8	Very high	3 Å²	3	26.9 Å²	26.9	3%	0.025	16%	0.156	C	C	.	.	H	α-helix	trans	-59.9	-37.8	176.6	0	0	0	0	0	112.1	I907 K911 G953 S954 K959 G960	I907-A957 HydrophobicContact CG2-CB 3.65Å; K911-A957 HydrophobicContact CB-CB 4.1Å; K911-A957 HydrophobicContact CG-CB 4.44Å; G953-A957 WeakPolarHBondContact O-CB 3.32Å; G953-A957 PolarHBondContact O-N 3.19Å; S954-A957 PolarHBondContact O-N 3.12Å; A957-K959 VanDerWaalsContact C-N 3.29Å; A957-K959 PolarHBondContact O-N 3.38Å; A957-G960 PolarHBondContact O-N 3.03Å; A957-G960 VanDerWaalsContact O-N 3.1Å
958	N	95.3	Very high	95	Very high	116 Å²	116	23.8 Å²	23.8	62%	0.62	14%	0.139	S	C	*	.	H	α-helix	trans	-68.1	-28.4	175.5	-73.6	-24.4	0	0	0	113.2	S954 L955 M956 G960	S954-N958 VanDerWaalsContact O-CG 3.29Å; S954-N958 PolarHBondContact O-N 3.08Å; S954-N958 PolarHBondContact O-ND2 3.13Å; L955-N958 PolarHBondContact O-N 3.26Å; M956-N958 VanDerWaalsContact C-N 3.27Å; M956-N958 PolarHBondContact O-N 2.89Å; N958-G960 VanDerWaalsContact C-N 3.25Å; N958-G960 PolarHBondContact O-N 2.97Å
959	K	94.8	Very high	95.1	Very high	95 Å²	95	23.6 Å²	23.6	41%	0.413	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	5.4	172.1	-67.8	178.2	-173.2	-82.1	0	113.5	F686 L695 L955 M956 A957	F686-K959 HydrophobicContact CE2-CB 4.46Å; F686-K959 HydrophobicContact CZ-CB 3.89Å; F686-K959 HydrophobicContact CZ-CD 3.98Å; L695-K959 HydrophobicContact CD1-CD 4.38Å; L955-K959 PolarHBondContact O-N 3.36Å; M956-K959 CarbonylContact O-C 3.48Å; M956-K959 WeakPolarHBondContact O-CA 2.99Å; M956-K959 PolarHBondContact O-N 2.84Å; A957-K959 VanDerWaalsContact C-N 3.29Å; A957-K959 PolarHBondContact O-N 3.38Å
960	G	93	Very high	95.1	Very high	38 Å²	38	24.1 Å²	24.1	39%	0.392	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.6	13.5	175.2	0	0	0	0	0	115.1	M956 A957 N958	M956-G960 PolarHBondContact O-N 3.36Å; A957-G960 PolarHBondContact O-N 3.03Å; A957-G960 VanDerWaalsContact O-N 3.1Å; N958-G960 VanDerWaalsContact C-N 3.25Å; N958-G960 PolarHBondContact O-N 2.97Å
961	V	95.2	Very high	95	Very high	4 Å²	4	20.7 Å²	20.7	2%	0.024	12%	0.124	C	C	.	.			trans	-71.3	136.6	170.7	-175.5	0	0	0	0	109.5	S678 I682 F686 I907 M956 V965	S678-V961 WeakPolarHBondContact OG-CA 3.3Å; I682-V961 HydrophobicContact CG2-CG2 4.15Å; F686-V961 HydrophobicContact CD1-CG2 3.88Å; F686-V961 HydrophobicContact CD2-CG2 3.72Å; F686-V961 HydrophobicContact CE1-CG2 3.54Å; F686-V961 HydrophobicContact CE2-CG2 3.39Å; F686-V961 HydrophobicContact CG-CG2 3.96Å; F686-V961 HydrophobicContact CZ-CG2 3.29Å; I907-V961 HydrophobicContact CD1-CB 4.2Å; I907-V961 HydrophobicContact CD1-CG1 3.97Å; I907-V961 WeakPolarHBondContact CG2-O 3.17Å; M956-V961 HydrophobicContact CB-CB 3.96Å; M956-V961 HydrophobicContact CB-CG1 4.46Å; M956-V961 HydrophobicContact CB-CG2 3.97Å; M956-V961 WeakPolarHBondContact O-CB 3.36Å; M956-V961 WeakPolarHBondContact O-CG2 3.39Å; M956-V961 PolarHBondContact O-N 3.18Å; V961-V965 HydrophobicContact CG1-CG2 3.82Å
962	V	95.5	Very high	94.9	Very high	20 Å²	20	19.8 Å²	19.8	12%	0.121	11%	0.114	C	C	.	.			trans	-146.5	147.8	175.7	69.1	0	0	0	0	109.9	L507 C677 S678 I907 P909	L507-V962 HydrophobicContact CD2-CG1 3.77Å; L507-V962 HydrophobicContact CD2-CG2 4.23Å; C677-V962 CarbonylContact C-O 3.44Å; C677-V962 WeakPolarHBondContact CA-O 3.38Å; S678-V962 PolarHBondContact N-O 2.98Å; S678-V962 PolarHBondContact OG-N 3.41Å; S678-V962 PolarHBondContact OG-O 2.73Å; I907-V962 VanDerWaalsContact O-CG2 3.32Å; I907-V962 WeakPolarHBondContact O-CG2 3Å; P909-V962 HydrophobicContact CB-CG2 4.5Å; P909-V962 HydrophobicContact CG-CG2 4.33Å
963	G	96.1	Very high	94.7	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.01	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	101.8	-160.9	-173.4	0	0	0	0	0	111.9	I907	I907-G963 PolarHBondContact N-O 2.81Å; I907-G963 PolarHBondContact O-N 2.93Å
964	Y	97.1	Very high	94.3	Very high	28 Å²	28	23.5 Å²	23.5	11%	0.11	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	142.8	-178.4	-59.6	-79	0	0	0	111.9	I655 W676 I905 A906 V916 G990 Y991 L995	I655-Y964 HydrophobicContact CD1-CE2 4.32Å; I655-Y964 HydrophobicContact CG2-CD2 4.28Å; I655-Y964 HydrophobicContact CG2-CE2 3.88Å; W676-Y964 HydrophobicContact CE3-CE2 4.12Å; W676-Y964 HydrophobicContact CH2-CE1 4.24Å; W676-Y964 HydrophobicContact CH2-CE2 4.25Å; W676-Y964 AromaticContact CH2-CZ 3.79Å; W676-Y964 AromaticContact CZ3-CE2 3.84Å; W676-Y964 HydrophobicContact CZ3-CE2 3.84Å; W676-Y964 AromaticContact CZ3-CZ 3.61Å; W676-Y964 WeakPolarHBondContact CZ3-OH 3.21Å; I905-Y964 CarbonylContact O-C 3.2Å; I905-Y964 WeakPolarHBondContact O-CA 3.37Å; A906-Y964 HydrophobicContact CB-CD1 3.83Å; A906-Y964 HydrophobicContact CB-CE1 3.76Å; V916-Y964 HydrophobicContact CG2-CD1 4.19Å; V916-Y964 HydrophobicContact CG2-CE1 4.23Å; Y964-G990 CarbonylContact C-O 3.6Å; Y964-G990 WeakPolarHBondContact CB-O 3.28Å; Y964-G990 PolarHBondContact O-N 2.91Å; Y964-Y991 AromaticContact CD2-CD2 3.57Å; Y964-Y991 HydrophobicContact CD2-CD2 3.57Å; Y964-Y991 HydrophobicContact CD2-CE2 4.36Å; Y964-Y991 HydrophobicContact CD2-CG 4.26Å; Y964-Y991 AromaticContact CE2-CD2 3.52Å; Y964-Y991 HydrophobicContact CE2-CD2 3.52Å; Y964-Y991 AromaticContact CE2-CE2 3.91Å; Y964-Y991 HydrophobicContact CE2-CE2 3.91Å; Y964-Y991 HydrophobicContact CG-CD2 4.3Å; Y964-L995 HydrophobicContact CD1-CD2 3.38Å; Y964-L995 HydrophobicContact CD2-CD2 4.17Å; Y964-L995 HydrophobicContact CE1-CD2 3.56Å; Y964-L995 HydrophobicContact CE2-CD2 4.33Å; Y964-L995 HydrophobicContact CG-CD2 3.69Å
965	V	96.2	Very high	93.8	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.006	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	130.6	174.1	-176	0	0	0	0	108.6	V904 I905 I907 M956 V961 I987	V904-V965 WeakPolarHBondContact CA-O 3.42Å; I905-V965 HydrophobicContact CD1-CB 4.28Å; I905-V965 HydrophobicContact CG1-CB 3.86Å; I905-V965 WeakPolarHBondContact CG1-O 3.48Å; I905-V965 PolarHBondContact N-O 2.86Å; I905-V965 PolarHBondContact O-N 3.19Å; I907-V965 HydrophobicContact CD1-CG2 4.16Å; M956-V965 HydrophobicContact CE-CB 4.38Å; M956-V965 HydrophobicContact CE-CG1 3.9Å; M956-V965 HydrophobicContact SD-CG1 3.97Å; V961-V965 HydrophobicContact CG1-CG2 3.82Å; V965-I987 HydrophobicContact CG1-CG2 3.5Å
966	N	95.5	Very high	93.2	Very high	8 Å²	8	29.2 Å²	29.2	4%	0.043	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	129.8	172.7	-179.3	79.5	0	0	0	110.1	V904 D968 I987 K988 T992	V904-N966 HydrophobicContact CG2-CB 4.46Å; V904-N966 WeakPolarHBondContact CG2-OD1 3.28Å; N966-D968 PolarHBondContact ND2-OD1 3.24Å; N966-I987 CarbonylContact O-C 3.5Å; N966-I987 WeakPolarHBondContact O-CA 3.38Å; N966-K988 HydrophobicContact CB-CB 4.31Å; N966-K988 PolarHBondContact N-O 3.48Å; N966-K988 PolarHBondContact O-N 2.91Å; N966-T992 HydrophobicContact CB-CG2 3.55Å
967	I	95.3	Very high	92.6	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	120.4	178.5	-53.5	167.1	0	0	0	107.3	S902 V903 I905 L952 M956 F969 I984	S902-I967 WeakPolarHBondContact CA-O 3.02Å; V903-I967 PolarHBondContact N-O 3.16Å; V903-I967 PolarHBondContact O-N 3.39Å; I905-I967 HydrophobicContact CD1-CD1 4.07Å; I905-I967 HydrophobicContact CG1-CD1 4.36Å; I905-I967 HydrophobicContact CG2-CD1 4.36Å; L952-I967 HydrophobicContact CB-CD1 4.38Å; L952-I967 HydrophobicContact CD2-CD1 3.69Å; L952-I967 HydrophobicContact CD2-CG1 4.01Å; L952-I967 HydrophobicContact CD2-CG2 3.93Å; M956-I967 HydrophobicContact CE-CD1 4.35Å; I967-F969 HydrophobicContact CB-CE2 3.82Å; I967-F969 HydrophobicContact CB-CZ 4.18Å; I967-F969 HydrophobicContact CG2-CD2 4.12Å; I967-F969 HydrophobicContact CG2-CE1 4.16Å; I967-F969 HydrophobicContact CG2-CE2 3.45Å; I967-F969 VanDerWaalsContact CG2-CE2 3.45Å; I967-F969 HydrophobicContact CG2-CZ 3.48Å; I967-F969 VanDerWaalsContact CG2-CZ 3.48Å; I967-I984 HydrophobicContact CG2-CG2 3.94Å
968	D	93.6	Very high	92	Very high	8 Å²	8	38.4 Å²	38.4	4%	0.043	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	125.3	178.3	-64.8	-29.8	0	0	0	109.7	S902 Q921 N966 T985 D986 K988	S902-D968 PolarHBondContact OG-OD1 3.4Å; Q921-D968 PolarHBondContact NE2-OD1 2.83Å; N966-D968 PolarHBondContact ND2-OD1 3.24Å; D968-T985 PolarHBondContact O-N 3.34Å; D968-T985 PolarHBondContact O-OG1 3.34Å; D968-T985 VanDerWaalsContact O-OG1 3.06Å; D968-D986 HydrophobicContact CB-CB 3.87Å; D968-D986 PolarHBondContact N-O 3.37Å; D968-D986 PolarHBondContact O-N 3.02Å; D968-K988 IonicContact OD2-NZ 2.91Å; D968-K988 PolarHBondContact OD2-NZ 3.2Å
969	F	94	Very high	91.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	163	174.1	-48.7	-107.1	0	0	0	111.2	N900 L901 V903 V945 L948 I967 L982 W983 I984	N900-F969 WeakPolarHBondContact CA-O 3.32Å; L901-F969 HydrophobicContact CD1-CB 4.08Å; L901-F969 HydrophobicContact CD1-CD2 4.26Å; L901-F969 HydrophobicContact CD1-CG 4.4Å; L901-F969 HydrophobicContact CD2-CB 4.07Å; L901-F969 HydrophobicContact CG-CB 3.83Å; L901-F969 PolarHBondContact N-O 2.99Å; L901-F969 PolarHBondContact O-N 2.94Å; V903-F969 HydrophobicContact CB-CE2 4.12Å; V903-F969 HydrophobicContact CG2-CE2 4.06Å; V945-F969 HydrophobicContact CG1-CD2 4.18Å; V945-F969 HydrophobicContact CG1-CE1 4.34Å; V945-F969 HydrophobicContact CG1-CE2 3.67Å; V945-F969 HydrophobicContact CG1-CZ 3.77Å; L948-F969 HydrophobicContact CB-CE1 4.08Å; L948-F969 HydrophobicContact CB-CZ 4.42Å; L948-F969 HydrophobicContact CD1-CE1 3.96Å; I967-F969 HydrophobicContact CB-CE2 3.82Å; I967-F969 HydrophobicContact CB-CZ 4.18Å; I967-F969 HydrophobicContact CG2-CD2 4.12Å; I967-F969 HydrophobicContact CG2-CE1 4.16Å; I967-F969 HydrophobicContact CG2-CE2 3.45Å; I967-F969 VanDerWaalsContact CG2-CE2 3.45Å; I967-F969 HydrophobicContact CG2-CZ 3.48Å; I967-F969 VanDerWaalsContact CG2-CZ 3.48Å; F969-L982 HydrophobicContact CB-CD1 3.74Å; F969-L982 HydrophobicContact CB-CG 4.27Å; F969-L982 HydrophobicContact CD1-CD1 4.28Å; F969-L982 HydrophobicContact CD1-CD2 3.87Å; F969-L982 HydrophobicContact CD1-CG 3.95Å; F969-L982 HydrophobicContact CE1-CD2 4.35Å; F969-L982 HydrophobicContact CG-CD1 4.35Å; F969-W983 CarbonylContact C-O 3.54Å; F969-W983 WeakPolarHBondContact CA-O 3.38Å; F969-W983 WeakPolarHBondContact CB-O 3.35Å; F969-I984 HydrophobicContact CD1-CG1 3.74Å; F969-I984 HydrophobicContact CE1-CD1 4.18Å; F969-I984 HydrophobicContact CE1-CG1 3.64Å
970	L	93.3	Very high	91.1	Very high	12 Å²	12	33.9 Å²	33.9	6%	0.063	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	136.1	171.5	178.6	156.1	0	0	0	108.1	P893 W898 T899 F972 L982 W983 T985	P893-L970 HydrophobicContact CG-CD1 3.9Å; P893-L970 HydrophobicContact CG-CD2 3.33Å; P893-L970 HydrophobicContact CG-CG 4.22Å; W898-L970 HydrophobicContact CB-CD2 4.2Å; W898-L970 HydrophobicContact CB-CG 4.36Å; W898-L970 HydrophobicContact CD2-CD1 4.31Å; W898-L970 HydrophobicContact CG-CD1 3.85Å; W898-L970 HydrophobicContact CG-CD2 4.25Å; W898-L970 HydrophobicContact CG-CG 4.04Å; T899-L970 CarbonylContact O-C 3.56Å; T899-L970 WeakPolarHBondContact O-CA 3.37Å; L970-F972 HydrophobicContact CD2-CD1 3.53Å; L970-F972 HydrophobicContact CD2-CE1 4.09Å; L970-L982 WeakPolarHBondContact O-CA 3.48Å; L970-W983 HydrophobicContact CD2-CE3 4.05Å; L970-W983 PolarHBondContact N-O 2.71Å; L970-W983 PolarHBondContact O-N 3.46Å; L970-T985 HydrophobicContact CB-CG2 3.72Å
971	T	92.3	Very high	90.9	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	146	175.6	-169.9	0	0	0	0	112.2	V727 W898 T899 L901 V940 Q980 I981	V727-T971 HydrophobicContact CG1-CG2 4.03Å; W898-T971 WeakPolarHBondContact CB-O 3.31Å; T899-T971 PolarHBondContact N-O 2.7Å; T899-T971 PolarHBondContact O-N 2.66Å; L901-T971 HydrophobicContact CD2-CG2 4.11Å; V940-T971 HydrophobicContact CG2-CG2 3.47Å; V940-T971 VanDerWaalsContact CG2-CG2 3.47Å; T971-Q980 WeakPolarHBondContact OG1-CG 3.45Å; T971-Q980 PolarHBondContact OG1-NE2 3.25Å; T971-I981 VanDerWaalsContact CA-O 3.23Å; T971-I981 WeakPolarHBondContact CA-O 3.29Å; T971-I981 PolarHBondContact OG1-O 2.74Å
972	F	91.8	Very high	90.7	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.009	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	163.9	177.6	66.2	-80.8	0	0	0	110.8	P893 P894 I895 W898 L970 H974 Q980 I981 W983	P893-F972 HydrophobicContact CB-CB 4.31Å; P893-F972 HydrophobicContact CB-CD1 3.91Å; P893-F972 HydrophobicContact CB-CD2 4.04Å; P893-F972 HydrophobicContact CB-CE1 4.18Å; P893-F972 HydrophobicContact CB-CE2 4.32Å; P893-F972 HydrophobicContact CB-CG 3.83Å; P893-F972 HydrophobicContact CB-CZ 4.37Å; P893-F972 HydrophobicContact CG-CD1 3.86Å; P893-F972 HydrophobicContact CG-CE1 4.2Å; P893-F972 HydrophobicContact CG-CG 4.2Å; P894-F972 HydrophobicContact CG-CE2 3.99Å; I895-F972 HydrophobicContact CD1-CB 3.72Å; I895-F972 HydrophobicContact CD1-CD2 4.28Å; I895-F972 HydrophobicContact CD1-CG 4.47Å; I895-F972 HydrophobicContact CG1-CB 4.09Å; I895-F972 HydrophobicContact CG1-CD2 4.25Å; W898-F972 HydrophobicContact CB-CB 3.96Å; L970-F972 HydrophobicContact CD2-CD1 3.53Å; L970-F972 HydrophobicContact CD2-CE1 4.09Å; F972-H974 HydrophobicContact CE2-CB 4.18Å; F972-Q980 WeakPolarHBondContact O-CA 3.29Å; F972-I981 HydrophobicContact CE1-CB 4.13Å; F972-I981 HydrophobicContact CE1-CG2 4.16Å; F972-I981 HydrophobicContact CE2-CD1 4.48Å; F972-I981 HydrophobicContact CZ-CB 4.11Å; F972-I981 HydrophobicContact CZ-CD1 4.3Å; F972-I981 HydrophobicContact CZ-CG2 4.26Å; F972-I981 PolarHBondContact N-O 2.84Å; F972-I981 PolarHBondContact O-N 3.41Å; F972-W983 AromaticContact CE1-CD2 3.73Å; F972-W983 HydrophobicContact CE1-CD2 3.73Å; F972-W983 AromaticContact CE1-CE2 3.53Å; F972-W983 AromaticContact CE1-CE3 3.98Å; F972-W983 HydrophobicContact CE1-CE3 3.98Å; F972-W983 HydrophobicContact CE1-CG 4.35Å; F972-W983 AromaticContact CE1-CH2 3.94Å; F972-W983 HydrophobicContact CE1-CH2 3.94Å; F972-W983 AromaticContact CE1-CZ2 3.66Å; F972-W983 HydrophobicContact CE1-CZ2 3.66Å; F972-W983 HydrophobicContact CE1-CZ3 4.09Å; F972-W983 AromaticContact CE1-NE1 4Å; F972-W983 HydrophobicContact CZ-CD2 4.43Å; F972-W983 AromaticContact CZ-CE2 3.78Å; F972-W983 AromaticContact CZ-CH2 3.9Å; F972-W983 HydrophobicContact CZ-CH2 3.9Å; F972-W983 AromaticContact CZ-CZ2 3.51Å; F972-W983 HydrophobicContact CZ-CZ2 3.51Å; F972-W983 HydrophobicContact CZ-CZ3 4.49Å
973	I	88.8	Confident	90.6	Very high	49 Å²	49	31.2 Å²	31.2	25%	0.251	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	119.3	173.1	-58.7	173.2	0	0	0	108.3	F724 V727	F724-I973 HydrophobicContact CB-CD1 4.39Å; V727-I973 HydrophobicContact CG2-CG1 4.49Å
974	H	88	Confident	90.4	Very high	29 Å²	29	31.3 Å²	31.3	13%	0.134	16%	0.156	C	C	.	.			trans	-71.8	125.6	-176.7	-170.9	-72.5	0	0	0	110.9	F972 E976 K977 N978 E979 I981	F972-H974 HydrophobicContact CE2-CB 4.18Å; H974-E976 VanDerWaalsContact C-N 3.33Å; H974-E976 PolarHBondContact ND1-N 2.84Å; H974-E976 PolarHBondContact O-N 2.93Å; H974-K977 HydrophobicContact CB-CB 4.07Å; H974-K977 HydrophobicContact CB-CD 4.44Å; H974-K977 HydrophobicContact CB-CG 4.46Å; H974-K977 PolarHBondContact ND1-N 2.87Å; H974-K977 PolarHBondContact O-N 3Å; H974-N978 WeakPolarHBondContact O-CA 3.39Å; H974-N978 PolarHBondContact O-N 2.84Å; H974-E979 PolarHBondContact N-O 3.49Å; H974-I981 HydrophobicContact CB-CD1 3.58Å; H974-I981 HydrophobicContact CB-CG1 4.12Å
975	P	85.9	Confident	90.1	Very high	79 Å²	79	30.6 Å²	30.6	51%	0.513	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-34.3	-169.4	24.5	-33	0	0	0	112.9	P894 I895	P894-P975 HydrophobicContact CB-CG 4.35Å; P894-P975 HydrophobicContact CG-CG 4.09Å; I895-P975 HydrophobicContact CG2-CB 4.2Å; I895-P975 HydrophobicContact CG2-CG 3.9Å
976	E	83.6	Confident	89.9	Confident	121 Å²	121	30.9 Å²	30.9	57%	0.565	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-28.1	179.4	-55.4	179.3	166.5	0	0	113.4	R831 H974	R831-E976 IonicContact CZ-OE1 3.96Å; R831-E976 IonicContact NH1-OE1 3.46Å; R831-E976 PolarHBondContact NH1-OE1 2.79Å; R831-E976 IonicContact NH2-OE1 2.61Å; R831-E976 PolarHBondContact NH2-OE1 3.21Å; R831-E976 IonicContact NH2-OE2 3.36Å; H974-E976 VanDerWaalsContact C-N 3.33Å; H974-E976 PolarHBondContact ND1-N 2.84Å; H974-E976 PolarHBondContact O-N 2.93Å
977	K	82.3	Confident	89.7	Confident	87 Å²	87	30.6 Å²	30.6	38%	0.378	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-23.8	-176.1	-61.5	174.8	-176	168.8	0	111.6	E768 H974 E979 I981	E768-K977 IonicContact OE1-NZ 2.77Å; E768-K977 PolarHBondContact OE1-NZ 2.75Å; E768-K977 IonicContact OE2-NZ 3.66Å; E768-K977 PolarHBondContact OE2-NZ 3.45Å; H974-K977 HydrophobicContact CB-CB 4.07Å; H974-K977 HydrophobicContact CB-CD 4.44Å; H974-K977 HydrophobicContact CB-CG 4.46Å; H974-K977 PolarHBondContact ND1-N 2.87Å; H974-K977 PolarHBondContact O-N 3Å; K977-E979 HydrophobicContact CB-CB 4.25Å; K977-E979 HydrophobicContact CB-CG 4.31Å; K977-E979 PolarHBondContact O-N 3.29Å; K977-I981 HydrophobicContact CD-CD1 4.26Å
978	N	83.9	Confident	89.4	Confident	109 Å²	109	32.9 Å²	32.9	58%	0.583	16%	0.164	S	C	*	.			trans	53.7	37.7	-170.8	-162.1	39	0	0	0	112.8	H974	H974-N978 WeakPolarHBondContact O-CA 3.39Å; H974-N978 PolarHBondContact O-N 2.84Å
979	E	84.6	Confident	89.3	Confident	80 Å²	80	33 Å²	33	37%	0.374	17%	0.165	S	C	.	.	S	Bend	trans	-122.3	144.7	-180	-69.9	175.4	175.1	0	0	109.3	W765 H974 K977 I981	W765-E979 HydrophobicContact CE3-CB 4.25Å; W765-E979 HydrophobicContact CZ3-CB 4.18Å; W765-E979 HydrophobicContact CZ3-CG 4.2Å; H974-E979 PolarHBondContact N-O 3.49Å; K977-E979 HydrophobicContact CB-CB 4.25Å; K977-E979 HydrophobicContact CB-CG 4.31Å; K977-E979 PolarHBondContact O-N 3.29Å; E979-I981 PolarHBondContact O-N 2.89Å
980	Q	87.2	Confident	89.2	Confident	35 Å²	35	33.5 Å²	33.5	16%	0.164	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	123.4	171.9	-172.6	174	10.5	0	0	109.2	W765 W944 T971 F972	W765-Q980 WeakPolarHBondContact CB-O 3.16Å; W765-Q980 HydrophobicContact CD2-CB 4.49Å; W944-Q980 HydrophobicContact CZ3-CG 4.38Å; T971-Q980 WeakPolarHBondContact OG1-CG 3.45Å; T971-Q980 PolarHBondContact OG1-NE2 3.25Å; F972-Q980 WeakPolarHBondContact O-CA 3.29Å
981	I	89.2	Confident	89.2	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	148.6	177.7	-59.5	-175.1	0	0	0	109	E768 T971 F972 H974 K977 E979	E768-I981 HydrophobicContact CB-CG2 4.41Å; T971-I981 VanDerWaalsContact CA-O 3.23Å; T971-I981 WeakPolarHBondContact CA-O 3.29Å; T971-I981 PolarHBondContact OG1-O 2.74Å; F972-I981 HydrophobicContact CE1-CB 4.13Å; F972-I981 HydrophobicContact CE1-CG2 4.16Å; F972-I981 HydrophobicContact CE2-CD1 4.48Å; F972-I981 HydrophobicContact CZ-CB 4.11Å; F972-I981 HydrophobicContact CZ-CD1 4.3Å; F972-I981 HydrophobicContact CZ-CG2 4.26Å; F972-I981 PolarHBondContact N-O 2.84Å; F972-I981 PolarHBondContact O-N 3.41Å; H974-I981 HydrophobicContact CB-CD1 3.58Å; H974-I981 HydrophobicContact CB-CG1 4.12Å; K977-I981 HydrophobicContact CD-CD1 4.26Å; E979-I981 PolarHBondContact O-N 2.89Å
982	L	90.9	Very high	89.3	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	129.4	173	-172.3	72.6	0	0	0	109.3	L901 V940 W944 V945 L948 F969 L970	L901-L982 HydrophobicContact CD2-CD1 4.24Å; V940-L982 HydrophobicContact CG2-CD1 4.3Å; W944-L982 HydrophobicContact CD2-CB 4.19Å; W944-L982 HydrophobicContact CD2-CD2 3.78Å; W944-L982 HydrophobicContact CE3-CB 4.03Å; W944-L982 HydrophobicContact CE3-CD2 4.02Å; W944-L982 HydrophobicContact CG-CD2 4.27Å; W944-L982 HydrophobicContact CH2-CB 3.14Å; W944-L982 HydrophobicContact CH2-CD2 4.5Å; W944-L982 HydrophobicContact CH2-CG 4.4Å; W944-L982 HydrophobicContact CZ2-CB 3.26Å; W944-L982 HydrophobicContact CZ2-CD2 4.25Å; W944-L982 HydrophobicContact CZ2-CG 4.4Å; W944-L982 HydrophobicContact CZ3-CB 3.54Å; W944-L982 HydrophobicContact CZ3-CD2 4.37Å; W944-L982 HydrophobicContact CZ3-CG 4.48Å; V945-L982 HydrophobicContact CG2-CD2 4.13Å; L948-L982 HydrophobicContact CD1-CD2 3.52Å; F969-L982 HydrophobicContact CB-CD1 3.74Å; F969-L982 HydrophobicContact CB-CG 4.27Å; F969-L982 HydrophobicContact CD1-CD1 4.28Å; F969-L982 HydrophobicContact CD1-CD2 3.87Å; F969-L982 HydrophobicContact CD1-CG 3.95Å; F969-L982 HydrophobicContact CE1-CD2 4.35Å; F969-L982 HydrophobicContact CG-CD1 4.35Å; L970-L982 WeakPolarHBondContact O-CA 3.48Å
983	W	93	Very high	89.3	Confident	7 Å²	7	35.2 Å²	35.2	3%	0.027	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	142.6	177.6	-73.4	-6.4	0	0	0	110.1	P770 A891 P893 F969 L970 F972 T985	P770-W983 HydrophobicContact CB-CD2 3.98Å; P770-W983 HydrophobicContact CB-CE3 3.61Å; P770-W983 HydrophobicContact CB-CH2 4.24Å; P770-W983 HydrophobicContact CB-CZ3 3.74Å; P770-W983 HydrophobicContact CG-CE3 4.31Å; A891-W983 WeakPolarHBondContact O-CZ3 3.45Å; P893-W983 HydrophobicContact CG-CZ3 4.11Å; F969-W983 CarbonylContact C-O 3.54Å; F969-W983 WeakPolarHBondContact CA-O 3.38Å; F969-W983 WeakPolarHBondContact CB-O 3.35Å; L970-W983 HydrophobicContact CD2-CE3 4.05Å; L970-W983 PolarHBondContact N-O 2.71Å; L970-W983 PolarHBondContact O-N 3.46Å; F972-W983 AromaticContact CE1-CD2 3.73Å; F972-W983 HydrophobicContact CE1-CD2 3.73Å; F972-W983 AromaticContact CE1-CE2 3.53Å; F972-W983 AromaticContact CE1-CE3 3.98Å; F972-W983 HydrophobicContact CE1-CE3 3.98Å; F972-W983 HydrophobicContact CE1-CG 4.35Å; F972-W983 AromaticContact CE1-CH2 3.94Å; F972-W983 HydrophobicContact CE1-CH2 3.94Å; F972-W983 AromaticContact CE1-CZ2 3.66Å; F972-W983 HydrophobicContact CE1-CZ2 3.66Å; F972-W983 HydrophobicContact CE1-CZ3 4.09Å; F972-W983 AromaticContact CE1-NE1 4Å; F972-W983 HydrophobicContact CZ-CD2 4.43Å; F972-W983 AromaticContact CZ-CE2 3.78Å; F972-W983 AromaticContact CZ-CH2 3.9Å; F972-W983 HydrophobicContact CZ-CH2 3.9Å; F972-W983 AromaticContact CZ-CZ2 3.51Å; F972-W983 HydrophobicContact CZ-CZ2 3.51Å; F972-W983 HydrophobicContact CZ-CZ3 4.49Å; W983-T985 HydrophobicContact CB-CG2 4.35Å
984	I	92.6	Very high	89.7	Confident	3 Å²	3	33 Å²	33	2%	0.015	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	117	167.2	-56.4	173	0	0	0	107.3	V696 L952 I967 F969	V696-I984 HydrophobicContact CG1-CB 4.29Å; V696-I984 HydrophobicContact CG1-CD1 4.31Å; V696-I984 HydrophobicContact CG2-CB 3.76Å; V696-I984 HydrophobicContact CG2-CD1 4.1Å; V696-I984 HydrophobicContact CG2-CG2 3.59Å; L952-I984 HydrophobicContact CD1-CD1 4.47Å; L952-I984 HydrophobicContact CD2-CD1 4.47Å; I967-I984 HydrophobicContact CG2-CG2 3.94Å; F969-I984 HydrophobicContact CD1-CG1 3.74Å; F969-I984 HydrophobicContact CE1-CD1 4.18Å; F969-I984 HydrophobicContact CE1-CG1 3.64Å
985	T	90.8	Very high	90.1	Very high	12 Å²	12	31.7 Å²	31.7	7%	0.074	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	-24.9	-170.2	60.1	0	0	0	0	113.8	K802 D968 L970 W983	K802-T985 PolarHBondContact NZ-O 2.86Å; D968-T985 PolarHBondContact O-N 3.34Å; D968-T985 PolarHBondContact O-OG1 3.34Å; D968-T985 VanDerWaalsContact O-OG1 3.06Å; L970-T985 HydrophobicContact CB-CG2 3.72Å; W983-T985 HydrophobicContact CB-CG2 4.35Å
986	D	90.4	Very high	90.6	Very high	7 Å²	7	28 Å²	28	4%	0.037	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	154.8	179.8	-147.1	-22.8	0	0	0	112.6	Q689 N807 D968 K988	Q689-D986 PolarHBondContact NE2-OD1 3.1Å; Q689-D986 PolarHBondContact NE2-OD2 3.41Å; Q689-D986 PolarHBondContact OE1-OD1 3.45Å; N807-D986 PolarHBondContact ND2-OD1 3.24Å; N807-D986 VanDerWaalsContact ND2-OD1 3.08Å; N807-D986 PolarHBondContact ND2-OD2 3.02Å; N807-D986 PolarHBondContact OD1-OD2 3.24Å; D968-D986 HydrophobicContact CB-CB 3.87Å; D968-D986 PolarHBondContact N-O 3.37Å; D968-D986 PolarHBondContact O-N 3.02Å; D986-K988 WeakPolarHBondContact OD2-CE 3.34Å; D986-K988 IonicContact OD2-NZ 3.31Å; D986-K988 PolarHBondContact OD2-NZ 3.42Å
987	I	91.6	Very high	91.2	Very high	2 Å²	2	22.3 Å²	22.3	1%	0.01	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	120.2	173	-61.4	170.8	0	0	0	107.8	T692 L695 L952 M956 V965 N966	T692-I987 HydrophobicContact CG2-CB 4.34Å; T692-I987 HydrophobicContact CG2-CD1 3.94Å; T692-I987 HydrophobicContact CG2-CG1 3.81Å; T692-I987 PolarHBondContact OG1-N 3.04Å; L695-I987 HydrophobicContact CD2-CD1 3.98Å; L952-I987 HydrophobicContact CD2-CD1 3.68Å; L952-I987 HydrophobicContact CD2-CG1 4.09Å; L952-I987 HydrophobicContact CG-CD1 4.33Å; M956-I987 HydrophobicContact SD-CG2 3.77Å; V965-I987 HydrophobicContact CG1-CG2 3.5Å; N966-I987 CarbonylContact O-C 3.5Å; N966-I987 WeakPolarHBondContact O-CA 3.38Å
988	K	89.4	Confident	92	Very high	49 Å²	49	18.1 Å²	18.1	21%	0.213	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	99.8	-174.4	-68.8	171.9	179.2	130.7	0	110.6	N966 D968 D986	N966-K988 HydrophobicContact CB-CB 4.31Å; N966-K988 PolarHBondContact N-O 3.48Å; N966-K988 PolarHBondContact O-N 2.91Å; D968-K988 IonicContact OD2-NZ 2.91Å; D968-K988 PolarHBondContact OD2-NZ 3.2Å; D986-K988 WeakPolarHBondContact OD2-CE 3.34Å; D986-K988 IonicContact OD2-NZ 3.31Å; D986-K988 PolarHBondContact OD2-NZ 3.42Å
989	P	91.3	Very high	92.6	Very high	9 Å²	9	14.3 Å²	14.3	6%	0.058	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	143.3	170.9	-18.3	30.3	0	0	0	111.4	F658 F686 T687	F658-P989 WeakPolarHBondContact CD2-O 3.1Å; F658-P989 WeakPolarHBondContact CE2-O 3.35Å; F686-P989 HydrophobicContact CB-CG 3.53Å; T687-P989 HydrophobicContact CG2-CG 4.43Å
990	G	91.8	Very high	93.2	Very high	11 Å²	11	10.6 Å²	10.6	11%	0.113	6%	0.056	C	C	.	.	S	Bend	trans	118	176.4	-179.5	0	0	0	0	0	112.3	G657 Y964	G657-G990 WeakPolarHBondContact O-CA 3.4Å; Y964-G990 CarbonylContact C-O 3.6Å; Y964-G990 WeakPolarHBondContact CB-O 3.28Å; Y964-G990 PolarHBondContact O-N 2.91Å
991	Y	94.7	Very high	93.6	Very high	5 Å²	5	9 Å²	9	2%	0.02	5%	0.048	C	C	.	.			trans	-99.8	113.8	-175.7	-178.7	-44.8	0	0	0	108.3	H526 Q553 R556 E559 I655 G657 Y964 L995 A996 Q999	H526-Y991 AromaticContact CE1-CE2 3.82Å; Q553-Y991 PolarHBondContact NE2-O 3.34Å; Q553-Y991 PolarHBondContact OE1-O 2.94Å; R556-Y991 HydrophobicContact CG-CD1 4.23Å; R556-Y991 HydrophobicContact CG-CE1 3.51Å; R556-Y991 HydrophobicContact CG-CE2 4.37Å; R556-Y991 VanDerWaalsContact NH2-CD1 3.25Å; R556-Y991 PolarHBondContact NH2-O 2.87Å; E559-Y991 WeakPolarHBondContact OE1-CE2 3.33Å; E559-Y991 PolarHBondContact OE1-OH 2.79Å; I655-Y991 HydrophobicContact CG2-CD2 3.77Å; I655-Y991 HydrophobicContact CG2-CE2 4.38Å; G657-Y991 PolarHBondContact O-N 2.93Å; Y964-Y991 AromaticContact CD2-CD2 3.57Å; Y964-Y991 HydrophobicContact CD2-CD2 3.57Å; Y964-Y991 HydrophobicContact CD2-CE2 4.36Å; Y964-Y991 HydrophobicContact CD2-CG 4.26Å; Y964-Y991 AromaticContact CE2-CD2 3.52Å; Y964-Y991 HydrophobicContact CE2-CD2 3.52Å; Y964-Y991 AromaticContact CE2-CE2 3.91Å; Y964-Y991 HydrophobicContact CE2-CE2 3.91Å; Y964-Y991 HydrophobicContact CG-CD2 4.3Å; Y991-L995 HydrophobicContact CD1-CB 4.16Å; Y991-L995 HydrophobicContact CD1-CD2 3.9Å; Y991-L995 HydrophobicContact CD1-CG 4.19Å; Y991-L995 HydrophobicContact CD2-CD2 3.62Å; Y991-L995 HydrophobicContact CE1-CB 3.92Å; Y991-L995 HydrophobicContact CE1-CD2 3.82Å; Y991-L995 HydrophobicContact CE1-CG 3.71Å; Y991-L995 HydrophobicContact CE2-CD2 3.55Å; Y991-L995 HydrophobicContact CE2-CG 4.09Å; Y991-L995 HydrophobicContact CG-CD2 3.78Å; Y991-A996 HydrophobicContact CE1-CB 3.91Å; Y991-Q999 VanDerWaalsContact OH-CG 3.3Å; Y991-Q999 WeakPolarHBondContact OH-CG 3.42Å
992	T	92.8	Very high	94	Very high	27 Å²	27	9.5 Å²	9.5	17%	0.166	5%	0.051	C	C	.	.			trans	-89.3	167.5	-169.9	56.7	0	0	0	0	113.1	N966 L994 L995 A996	N966-T992 HydrophobicContact CB-CG2 3.55Å; T992-L994 VanDerWaalsContact C-N 3.33Å; T992-L995 PolarHBondContact O-N 2.75Å; T992-A996 PolarHBondContact O-N 3.21Å; T992-A996 VanDerWaalsContact O-N 3.11Å
993	D	93	Very high	94.2	Very high	19 Å²	19	9.6 Å²	9.6	10%	0.102	5%	0.052	C	C	.	.	H	α-helix	trans	-65.4	-37.4	175.8	-62.5	-4.1	0	0	0	111.1	R552 Q553 L995 A996 M997 T1052	R552-D993 IonicContact CZ-OD2 2.75Å; R552-D993 VanDerWaalsContact CZ-OD2 3.25Å; R552-D993 IonicContact NE-OD2 2.93Å; R552-D993 PolarHBondContact NE-OD2 2.93Å; R552-D993 IonicContact NH2-OD2 3.95Å; R552-D993 PolarHBondContact NH2-OD2 3.34Å; Q553-D993 VanDerWaalsContact CG-OD1 3.29Å; Q553-D993 WeakPolarHBondContact CG-OD1 3.22Å; Q553-D993 PolarHBondContact NE2-OD1 3.18Å; Q553-D993 VanDerWaalsContact NE2-OD1 3.07Å; D993-L995 VanDerWaalsContact C-N 3.31Å; D993-L995 PolarHBondContact O-N 2.86Å; D993-A996 PolarHBondContact O-N 2.9Å; D993-M997 WeakPolarHBondContact O-CB 3.13Å; D993-M997 WeakPolarHBondContact O-CG 3.43Å; D993-M997 PolarHBondContact O-N 3.49Å; D993-T1052 HydrophobicContact CB-CG2 4.43Å
994	L	95.6	Very high	94.3	Very high	3 Å²	3	9.4 Å²	9.4	2%	0.016	5%	0.051	C	C	.	.	H	α-helix	trans	-51.4	-50.4	171.1	178.2	50.1	0	0	0	111.2	V904 A917 E933 I935 T992 M997 T998	V904-L994 HydrophobicContact CG2-CB 4.38Å; V904-L994 HydrophobicContact CG2-CD2 3.87Å; V904-L994 HydrophobicContact CG2-CG 4.12Å; A917-L994 HydrophobicContact CB-CG 4.38Å; E933-L994 HydrophobicContact CB-CD1 4.38Å; E933-L994 WeakPolarHBondContact OE2-CB 3.1Å; E933-L994 VanDerWaalsContact OE2-CD1 3.31Å; E933-L994 WeakPolarHBondContact OE2-CD1 3.43Å; I935-L994 HydrophobicContact CD1-CD1 4.01Å; I935-L994 HydrophobicContact CG1-CD1 3.93Å; T992-L994 VanDerWaalsContact C-N 3.33Å; L994-M997 PolarHBondContact O-N 3.45Å; L994-T998 WeakPolarHBondContact O-CB 3.47Å; L994-T998 PolarHBondContact O-N 3.2Å; L994-T998 PolarHBondContact O-OG1 3.41Å
995	L	97.3	Very high	94.4	Very high	1 Å²	1	9.2 Å²	9.2	1%	0.005	5%	0.05	C	C	.	.	H	α-helix	trans	-64.4	-43.9	180	-177.6	59.3	0	0	0	111.5	V904 V916 A917 Y964 Y991 T992 D993 M997 T998 Q999	V904-L995 HydrophobicContact CG1-CB 4.29Å; V904-L995 HydrophobicContact CG1-CD1 4.49Å; V904-L995 HydrophobicContact CG1-CD2 4.14Å; V904-L995 HydrophobicContact CG2-CB 4.46Å; V916-L995 HydrophobicContact CB-CD1 4.35Å; V916-L995 HydrophobicContact CG2-CD1 3.79Å; A917-L995 HydrophobicContact CB-CD1 4.26Å; Y964-L995 HydrophobicContact CD1-CD2 3.38Å; Y964-L995 HydrophobicContact CD2-CD2 4.17Å; Y964-L995 HydrophobicContact CE1-CD2 3.56Å; Y964-L995 HydrophobicContact CE2-CD2 4.33Å; Y964-L995 HydrophobicContact CG-CD2 3.69Å; Y991-L995 HydrophobicContact CD1-CB 4.16Å; Y991-L995 HydrophobicContact CD1-CD2 3.9Å; Y991-L995 HydrophobicContact CD1-CG 4.19Å; Y991-L995 HydrophobicContact CD2-CD2 3.62Å; Y991-L995 HydrophobicContact CE1-CB 3.92Å; Y991-L995 HydrophobicContact CE1-CD2 3.82Å; Y991-L995 HydrophobicContact CE1-CG 3.71Å; Y991-L995 HydrophobicContact CE2-CD2 3.55Å; Y991-L995 HydrophobicContact CE2-CG 4.09Å; Y991-L995 HydrophobicContact CG-CD2 3.78Å; T992-L995 PolarHBondContact O-N 2.75Å; D993-L995 VanDerWaalsContact C-N 3.31Å; D993-L995 PolarHBondContact O-N 2.86Å; L995-M997 PolarHBondContact O-N 2.92Å; L995-T998 WeakPolarHBondContact O-CB 3.43Å; L995-T998 PolarHBondContact O-N 3.05Å; L995-Q999 WeakPolarHBondContact O-CG 3.39Å; L995-Q999 PolarHBondContact O-N 3.23Å
996	A	96.6	Very high	94.5	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-60.4	-46.6	178.6	0	0	0	0	0	111.4	Q553 A555 R556 Y991 T992 D993 T998 Q999 L1000	Q553-A996 HydrophobicContact CB-CB 4.42Å; A555-A996 HydrophobicContact CB-CB 4.22Å; A555-A996 WeakPolarHBondContact CB-O 3.42Å; R556-A996 HydrophobicContact CG-CB 4.34Å; Y991-A996 HydrophobicContact CE1-CB 3.91Å; T992-A996 PolarHBondContact O-N 3.21Å; T992-A996 VanDerWaalsContact O-N 3.11Å; D993-A996 PolarHBondContact O-N 2.9Å; A996-T998 VanDerWaalsContact C-N 3.32Å; A996-T998 PolarHBondContact O-N 3.36Å; A996-Q999 WeakPolarHBondContact O-CB 3.43Å; A996-Q999 PolarHBondContact O-N 2.89Å; A996-Q999 VanDerWaalsContact O-N 3.15Å; A996-L1000 PolarHBondContact O-N 2.93Å
997	M	97	Very high	94.6	Very high	2 Å²	2	9.4 Å²	9.4	1%	0.01	5%	0.051	C	C	.	.	H	α-helix	trans	-69.1	-32.3	178.3	-66.3	-52.6	-61.5	0	0	112.1	A555 D993 L994 L995 Q999 L1000 V1001 V1050 T1052 A1100 V1102	A555-M997 HydrophobicContact CB-SD 4.1Å; D993-M997 WeakPolarHBondContact O-CB 3.13Å; D993-M997 WeakPolarHBondContact O-CG 3.43Å; D993-M997 PolarHBondContact O-N 3.49Å; L994-M997 PolarHBondContact O-N 3.45Å; L995-M997 PolarHBondContact O-N 2.92Å; M997-Q999 VanDerWaalsContact C-N 3.29Å; M997-Q999 PolarHBondContact O-N 3.4Å; M997-L1000 HydrophobicContact CE-CD2 3.98Å; M997-L1000 WeakPolarHBondContact O-CB 3.47Å; M997-L1000 PolarHBondContact O-N 2.92Å; M997-L1000 VanDerWaalsContact O-N 3.15Å; M997-V1001 WeakPolarHBondContact O-CG2 3.47Å; M997-V1001 PolarHBondContact O-N 3.5Å; M997-V1050 HydrophobicContact CB-CB 4.06Å; M997-V1050 HydrophobicContact CB-CG1 4.25Å; M997-V1050 HydrophobicContact CB-CG2 4.02Å; M997-V1050 HydrophobicContact CE-CB 4.38Å; M997-V1050 HydrophobicContact CG-CB 4.46Å; M997-T1052 HydrophobicContact CG-CG2 3.54Å; M997-T1052 HydrophobicContact SD-CG2 3.59Å; M997-T1052 VanDerWaalsContact SD-CG2 3.59Å; M997-A1100 HydrophobicContact CE-CB 4.44Å; M997-V1102 HydrophobicContact CE-CG2 3.05Å
998	T	97.7	Very high	94.7	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-59.7	-40.7	170.3	-57.1	0	0	0	0	110.6	A917 I935 L994 L995 A996 L1000 V1001 L1002	A917-T998 HydrophobicContact CB-CG2 3.93Å; A917-T998 WeakPolarHBondContact CB-OG1 3.11Å; I935-T998 WeakPolarHBondContact CD1-OG1 3.32Å; L994-T998 WeakPolarHBondContact O-CB 3.47Å; L994-T998 PolarHBondContact O-N 3.2Å; L994-T998 PolarHBondContact O-OG1 3.41Å; L995-T998 WeakPolarHBondContact O-CB 3.43Å; L995-T998 PolarHBondContact O-N 3.05Å; A996-T998 VanDerWaalsContact C-N 3.32Å; A996-T998 PolarHBondContact O-N 3.36Å; T998-L1000 VanDerWaalsContact C-N 3.28Å; T998-L1000 PolarHBondContact O-N 2.91Å; T998-V1001 PolarHBondContact O-N 2.81Å; T998-V1001 VanDerWaalsContact O-N 3.15Å; T998-L1002 HydrophobicContact CG2-CD1 3.97Å; T998-L1002 HydrophobicContact CG2-CG 4.04Å; T998-L1002 WeakPolarHBondContact O-CB 3.24Å; T998-L1002 VanDerWaalsContact O-CG 3.24Å; T998-L1002 WeakPolarHBondContact O-CG 3.42Å; T998-L1002 PolarHBondContact O-N 2.91Å
999	Q	97.1	Very high	95	Very high	29 Å²	29	11 Å²	11	14%	0.136	6%	0.063	C	C	.	.	H	α-helix	trans	-59.7	-37.9	175.5	-59.2	-49.8	-39	0	0	112.6	C558 E559 Y991 L995 A996 M997 F1003	C558-Q999 HydrophobicContact CB-CB 4.08Å; C558-Q999 WeakPolarHBondContact CB-O 3.42Å; E559-Q999 HydrophobicContact CG-CB 4.45Å; E559-Q999 HydrophobicContact CG-CG 3.81Å; Y991-Q999 VanDerWaalsContact OH-CG 3.3Å; Y991-Q999 WeakPolarHBondContact OH-CG 3.42Å; L995-Q999 WeakPolarHBondContact O-CG 3.39Å; L995-Q999 PolarHBondContact O-N 3.23Å; A996-Q999 WeakPolarHBondContact O-CB 3.43Å; A996-Q999 PolarHBondContact O-N 2.89Å; A996-Q999 VanDerWaalsContact O-N 3.15Å; M997-Q999 VanDerWaalsContact C-N 3.29Å; M997-Q999 PolarHBondContact O-N 3.4Å; Q999-F1003 VanDerWaalsContact O-CB 3.26Å; Q999-F1003 WeakPolarHBondContact O-CB 3.48Å; Q999-F1003 PolarHBondContact O-N 2.79Å
1000	L	96.4	Very high	95.1	Very high	2 Å²	2	14.3 Å²	14.3	1%	0.01	8%	0.078	C	C	.	.	H	α-helix	trans	-67.3	-42.4	175	177.5	58.3	0	0	0	112.1	A555 L586 A996 M997 T998 F1003 A1004 V1102	A555-L1000 HydrophobicContact CB-CB 4.16Å; L586-L1000 HydrophobicContact CD2-CD1 4.16Å; A996-L1000 PolarHBondContact O-N 2.93Å; M997-L1000 HydrophobicContact CE-CD2 3.98Å; M997-L1000 WeakPolarHBondContact O-CB 3.47Å; M997-L1000 PolarHBondContact O-N 2.92Å; M997-L1000 VanDerWaalsContact O-N 3.15Å; T998-L1000 VanDerWaalsContact C-N 3.28Å; T998-L1000 PolarHBondContact O-N 2.91Å; L1000-F1003 PolarHBondContact O-N 2.81Å; L1000-A1004 WeakPolarHBondContact O-CB 3.23Å; L1000-A1004 PolarHBondContact O-N 3.45Å; L1000-V1102 HydrophobicContact CD2-CG2 3.82Å; L1000-V1102 HydrophobicContact CG-CG2 4.48Å
1001	V	97.2	Very high	95.1	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.006	9%	0.088	C	C	.	.	H	α-helix	trans	-61.9	-45.5	175.6	175.3	0	0	0	0	110.9	I935 M997 T998 F1003 A1004 T1005 I1020 A1048 V1050 V1102 I1104	I935-V1001 HydrophobicContact CD1-CG2 4.2Å; M997-V1001 WeakPolarHBondContact O-CG2 3.47Å; M997-V1001 PolarHBondContact O-N 3.5Å; T998-V1001 PolarHBondContact O-N 2.81Å; T998-V1001 VanDerWaalsContact O-N 3.15Å; V1001-F1003 PolarHBondContact O-N 2.92Å; V1001-A1004 PolarHBondContact O-N 3.22Å; V1001-T1005 WeakPolarHBondContact O-CB 3.25Å; V1001-T1005 WeakPolarHBondContact O-CG2 3.45Å; V1001-T1005 PolarHBondContact O-N 2.83Å; V1001-T1005 PolarHBondContact O-OG1 2.98Å; V1001-I1020 HydrophobicContact CG1-CD1 3.76Å; V1001-A1048 HydrophobicContact CG1-CB 4.02Å; V1001-A1048 HydrophobicContact CG2-CB 3.75Å; V1001-V1050 HydrophobicContact CG2-CG1 4.02Å; V1001-V1102 HydrophobicContact CG2-CG1 3.73Å; V1001-I1104 HydrophobicContact CB-CD1 4.48Å; V1001-I1104 HydrophobicContact CG1-CD1 4.18Å; V1001-I1104 HydrophobicContact CG2-CD1 4.38Å
1002	L	96.7	Very high	94.9	Very high	10 Å²	10	18.6 Å²	18.6	5%	0.052	10%	0.098	C	C	.	.	H	α-helix	trans	-65.1	-37.8	178	-67.7	-177.4	0	0	0	112.2	R561 T998 T1005 N1006 T1007 F1009 I1020	R561-L1002 WeakPolarHBondContact CD-O 3.38Å; T998-L1002 HydrophobicContact CG2-CD1 3.97Å; T998-L1002 HydrophobicContact CG2-CG 4.04Å; T998-L1002 WeakPolarHBondContact O-CB 3.24Å; T998-L1002 VanDerWaalsContact O-CG 3.24Å; T998-L1002 WeakPolarHBondContact O-CG 3.42Å; T998-L1002 PolarHBondContact O-N 2.91Å; L1002-T1005 PolarHBondContact O-OG1 2.84Å; L1002-N1006 WeakPolarHBondContact O-CA 3.23Å; L1002-N1006 PolarHBondContact O-N 2.9Å; L1002-T1007 WeakPolarHBondContact CB-O 3.48Å; L1002-T1007 HydrophobicContact CD2-CG2 4.01Å; L1002-T1007 PolarHBondContact O-N 3.42Å; L1002-T1007 VanDerWaalsContact O-N 3.12Å; L1002-F1009 HydrophobicContact CD1-CB 4.26Å; L1002-F1009 HydrophobicContact CD2-CB 4.43Å; L1002-I1020 HydrophobicContact CD2-CD1 4.18Å; L1002-I1020 HydrophobicContact CD2-CG1 4.24Å; L1002-I1020 HydrophobicContact CD2-CG2 4.36Å
1003	F	95.5	Very high	94.5	Very high	3 Å²	3	26.8 Å²	26.8	1%	0.013	13%	0.134	C	C	.	.	H	α-helix	trans	-60	-51.9	171.6	176.6	-88.7	0	0	0	111.7	C558 R561 L586 L587 I593 Q999 L1000 V1001 T1005 N1006	C558-F1003 HydrophobicContact CB-CB 3.78Å; C558-F1003 HydrophobicContact CB-CD2 4.39Å; C558-F1003 HydrophobicContact CB-CG 4.17Å; R561-F1003 HydrophobicContact CB-CD2 3.97Å; R561-F1003 HydrophobicContact CG-CD2 4.34Å; L586-F1003 HydrophobicContact CD1-CE1 4.1Å; L586-F1003 HydrophobicContact CG-CE1 4.22Å; L586-F1003 WeakPolarHBondContact O-CE1 3.38Å; L586-F1003 VanDerWaalsContact O-CZ 3.25Å; L586-F1003 WeakPolarHBondContact O-CZ 3.32Å; L587-F1003 HydrophobicContact CD2-CE2 4.09Å; L587-F1003 HydrophobicContact CD2-CZ 4.23Å; I593-F1003 HydrophobicContact CD1-CD1 4Å; I593-F1003 HydrophobicContact CD1-CE1 3.48Å; I593-F1003 VanDerWaalsContact CD1-CE1 3.48Å; I593-F1003 HydrophobicContact CD1-CZ 3.89Å; Q999-F1003 VanDerWaalsContact O-CB 3.26Å; Q999-F1003 WeakPolarHBondContact O-CB 3.48Å; Q999-F1003 PolarHBondContact O-N 2.79Å; L1000-F1003 PolarHBondContact O-N 2.81Å; V1001-F1003 PolarHBondContact O-N 2.92Å; F1003-T1005 VanDerWaalsContact C-N 3.31Å; F1003-T1005 PolarHBondContact O-N 2.89Å; F1003-N1006 PolarHBondContact O-N 3.43Å
1004	A	94.5	Very high	94	Very high	2 Å²	2	31 Å²	31	2%	0.017	17%	0.165	C	C	.	.	H	α-helix	trans	-60.4	-41.2	-179.4	0	0	0	0	0	112.5	L1000 V1001 N1006 Y1078 L1087 I1104	L1000-A1004 WeakPolarHBondContact O-CB 3.23Å; L1000-A1004 PolarHBondContact O-N 3.45Å; V1001-A1004 PolarHBondContact O-N 3.22Å; A1004-N1006 VanDerWaalsContact C-N 3.35Å; A1004-Y1078 VanDerWaalsContact C-OH 3.28Å; A1004-Y1078 HydrophobicContact CB-CE1 4.45Å; A1004-Y1078 HydrophobicContact CB-CE2 4.12Å; A1004-Y1078 PolarHBondContact O-OH 2.71Å; A1004-L1087 HydrophobicContact CB-CD1 3.42Å; A1004-L1087 VanDerWaalsContact CB-CD1 3.42Å; A1004-I1104 HydrophobicContact CB-CD1 3.75Å
1005	T	94.4	Very high	93.6	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-87.3	-2.3	-177.4	54.9	0	0	0	0	114.1	V1001 L1002 F1003 T1007 I1020 A1022 K1023 R1046 I1104	V1001-T1005 WeakPolarHBondContact O-CB 3.25Å; V1001-T1005 WeakPolarHBondContact O-CG2 3.45Å; V1001-T1005 PolarHBondContact O-N 2.83Å; V1001-T1005 PolarHBondContact O-OG1 2.98Å; L1002-T1005 PolarHBondContact O-OG1 2.84Å; F1003-T1005 VanDerWaalsContact C-N 3.31Å; F1003-T1005 PolarHBondContact O-N 2.89Å; T1005-T1007 VanDerWaalsContact C-N 3.32Å; T1005-T1007 PolarHBondContact O-N 2.93Å; T1005-T1007 VanDerWaalsContact OG1-CG2 3.32Å; T1005-T1007 WeakPolarHBondContact OG1-CG2 3.34Å; T1005-I1020 HydrophobicContact CG2-CG2 4.21Å; T1005-A1022 HydrophobicContact CG2-CB 4.36Å; T1005-A1022 WeakPolarHBondContact O-CA 3.42Å; T1005-K1023 PolarHBondContact O-N 2.93Å; T1005-R1046 HydrophobicContact CG2-CB 4.13Å; T1005-R1046 HydrophobicContact CG2-CG 3.98Å; T1005-I1104 HydrophobicContact CG2-CD1 4.43Å; T1005-I1104 HydrophobicContact CG2-CG2 4.11Å
1006	N	93	Very high	93.2	Very high	19 Å²	19	34 Å²	34	10%	0.102	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.3	48.2	-174.4	-165.9	21	0	0	0	114.4	R561 I593 E594 L1002 F1003 A1004 K1023	R561-N1006 PolarHBondContact NH1-OD1 2.97Å; I593-N1006 HydrophobicContact CG2-CB 3.67Å; E594-N1006 VanDerWaalsContact CG-ND2 3.29Å; E594-N1006 WeakPolarHBondContact CG-ND2 3.39Å; L1002-N1006 WeakPolarHBondContact O-CA 3.23Å; L1002-N1006 PolarHBondContact O-N 2.9Å; F1003-N1006 PolarHBondContact O-N 3.43Å; A1004-N1006 VanDerWaalsContact C-N 3.35Å; N1006-K1023 VanDerWaalsContact O-CD 3.28Å; N1006-K1023 WeakPolarHBondContact O-CD 3.36Å; N1006-K1023 WeakPolarHBondContact O-CG 3.39Å
1007	T	92.9	Very high	92.9	Very high	3 Å²	3	35.4 Å²	35.4	2%	0.018	19%	0.191	C	C	.	.			trans	-143.2	178.8	-174.9	-159.2	0	0	0	0	112.6	R561 L1002 T1005 I1020 I1021	R561-T1007 PolarHBondContact NE-O 3.46Å; R561-T1007 VanDerWaalsContact NE-O 3.08Å; R561-T1007 PolarHBondContact NH2-O 2.98Å; L1002-T1007 WeakPolarHBondContact CB-O 3.48Å; L1002-T1007 HydrophobicContact CD2-CG2 4.01Å; L1002-T1007 PolarHBondContact O-N 3.42Å; L1002-T1007 VanDerWaalsContact O-N 3.12Å; T1005-T1007 VanDerWaalsContact C-N 3.32Å; T1005-T1007 PolarHBondContact O-N 2.93Å; T1005-T1007 VanDerWaalsContact OG1-CG2 3.32Å; T1005-T1007 WeakPolarHBondContact OG1-CG2 3.34Å; T1007-I1020 HydrophobicContact CG2-CG2 3.51Å; T1007-I1021 WeakPolarHBondContact CB-O 3.35Å; T1007-I1021 WeakPolarHBondContact CG2-O 3.44Å; T1007-I1021 PolarHBondContact OG1-O 3.3Å
1008	T	93.2	Very high	92.8	Very high	62 Å²	62	35.5 Å²	35.5	38%	0.38	19%	0.191	S	C	.	.			trans	-107.9	156.8	173.3	39.8	0	0	0	0	110.3	E1010	T1008-E1010 PolarHBondContact O-N 3.12Å; T1008-E1010 PolarHBondContact OG1-OE1 3.01Å
1009	F	95.4	Very high	92.6	Very high	24 Å²	24	36.3 Å²	36.3	11%	0.105	20%	0.195	C	C	.	.			trans	-71.1	116.5	166.2	-172.5	-86.7	0	0	0	107.9	I915 V916 P936 L1002 I1011 H1018 I1020	I915-F1009 HydrophobicContact CG2-CE1 3.83Å; I915-F1009 HydrophobicContact CG2-CZ 4.46Å; V916-F1009 WeakPolarHBondContact O-CB 3.47Å; V916-F1009 WeakPolarHBondContact O-CG 3.36Å; P936-F1009 HydrophobicContact CB-CE2 4.01Å; P936-F1009 HydrophobicContact CB-CZ 4.49Å; L1002-F1009 HydrophobicContact CD1-CB 4.26Å; L1002-F1009 HydrophobicContact CD2-CB 4.43Å; F1009-I1011 HydrophobicContact CE1-CG1 4.31Å; F1009-H1018 HydrophobicContact CE1-CB 4.27Å; F1009-H1018 HydrophobicContact CE2-CB 4.36Å; F1009-H1018 HydrophobicContact CZ-CB 3.67Å; F1009-H1018 AromaticContact CZ-CG 3.72Å; F1009-H1018 AromaticContact CZ-ND1 3.58Å; F1009-I1020 HydrophobicContact CD2-CG1 4.46Å
1010	E	93.5	Very high	92.5	Very high	78 Å²	78	35 Å²	35	36%	0.364	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	144.7	-175.9	-70.3	-178.4	-173.6	0	0	110.8	T1008 Q1019	T1008-E1010 PolarHBondContact O-N 3.12Å; T1008-E1010 PolarHBondContact OG1-OE1 3.01Å; E1010-Q1019 PolarHBondContact N-O 2.86Å; E1010-Q1019 VanDerWaalsContact N-O 3.08Å; E1010-Q1019 PolarHBondContact O-N 3.07Å
1011	I	92.7	Very high	92.4	Very high	62 Å²	62	36 Å²	36	32%	0.318	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	118.4	167.3	-64	178.9	0	0	0	106.8	I915 F1009 Q1013 E1017	I915-I1011 HydrophobicContact CB-CD1 3.73Å; I915-I1011 HydrophobicContact CD1-CD1 3.75Å; I915-I1011 HydrophobicContact CG1-CD1 4.28Å; I915-I1011 HydrophobicContact CG2-CD1 4.13Å; F1009-I1011 HydrophobicContact CE1-CG1 4.31Å; I1011-Q1013 PolarHBondContact O-N 3.34Å; I1011-E1017 WeakPolarHBondContact CA-O 3.23Å
1012	N	90.1	Very high	92.2	Very high	43 Å²	43	36 Å²	36	23%	0.23	19%	0.194	C	C	.	.			trans	-63.3	119.9	176.7	-177.9	-61.2	0	0	0	109.4	S1014 T1015 G1016 E1017 Q1019	N1012-S1014 VanDerWaalsContact C-N 3.31Å; N1012-S1014 PolarHBondContact O-N 3.47Å; N1012-S1014 PolarHBondContact OD1-N 2.9Å; N1012-S1014 VanDerWaalsContact OD1-N 3.1Å; N1012-S1014 PolarHBondContact OD1-OG 3.06Å; N1012-T1015 WeakPolarHBondContact CB-OG1 3.35Å; N1012-T1015 PolarHBondContact OD1-N 2.96Å; N1012-T1015 PolarHBondContact OD1-OG1 3.36Å; N1012-G1016 WeakPolarHBondContact O-CA 3.28Å; N1012-G1016 PolarHBondContact O-N 3.2Å; N1012-E1017 HydrophobicContact CB-CB 4.26Å; N1012-E1017 WeakPolarHBondContact CB-O 3.48Å; N1012-E1017 PolarHBondContact N-O 3.45Å; N1012-Q1019 PolarHBondContact ND2-NE2 3.23Å
1013	Q	84.7	Confident	91.7	Very high	199 Å²	199	40.9 Å²	40.9	93%	0.93	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-28	-171.7	-67	-179.8	-6.1	0	0	113.8	I1011	I1011-Q1013 PolarHBondContact O-N 3.34Å
1014	S	83.3	Confident	91.2	Very high	107 Å²	107	41.9 Å²	41.9	75%	0.748	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-36	-179	56.5	0	0	0	0	112.7	N1012	N1012-S1014 VanDerWaalsContact C-N 3.31Å; N1012-S1014 PolarHBondContact O-N 3.47Å; N1012-S1014 PolarHBondContact OD1-N 2.9Å; N1012-S1014 VanDerWaalsContact OD1-N 3.1Å; N1012-S1014 PolarHBondContact OD1-OG 3.06Å
1015	T	85.5	Confident	90.9	Very high	63 Å²	63	42 Å²	42	39%	0.387	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	-12.7	-175.5	59.9	0	0	0	0	114	L943 N1012 E1017	L943-T1015 WeakPolarHBondContact CG-O 3.37Å; N1012-T1015 WeakPolarHBondContact CB-OG1 3.35Å; N1012-T1015 PolarHBondContact OD1-N 2.96Å; N1012-T1015 PolarHBondContact OD1-OG1 3.36Å; T1015-E1017 PolarHBondContact O-N 3.49Å; T1015-E1017 WeakPolarHBondContact OG1-CB 3.39Å; T1015-E1017 PolarHBondContact OG1-N 2.77Å
1016	G	88.9	Confident	90.4	Very high	4 Å²	4	45 Å²	45	4%	0.041	24%	0.241	C	C	.	.			trans	68	0.8	-168.2	0	0	0	0	0	114.3	P942 N946 N1012 H1018	P942-G1016 WeakPolarHBondContact CB-O 3.39Å; N946-G1016 PolarHBondContact ND2-O 2.82Å; N1012-G1016 WeakPolarHBondContact O-CA 3.28Å; N1012-G1016 PolarHBondContact O-N 3.2Å; G1016-H1018 PolarHBondContact O-CD2 3.31Å; G1016-H1018 PolarHBondContact O-N 3.17Å
1017	E	92	Very high	89.9	Confident	31 Å²	31	46.2 Å²	46.2	15%	0.145	25%	0.247	C	C	.	.			trans	-63.7	134.6	-173.9	-172.7	174.1	-131.3	0	0	111.9	R731 I1011 N1012 T1015 Q1019 K1045	R731-E1017 IonicContact NH1-OE1 2.77Å; R731-E1017 PolarHBondContact NH1-OE1 2.59Å; I1011-E1017 WeakPolarHBondContact CA-O 3.23Å; N1012-E1017 HydrophobicContact CB-CB 4.26Å; N1012-E1017 WeakPolarHBondContact CB-O 3.48Å; N1012-E1017 PolarHBondContact N-O 3.45Å; T1015-E1017 PolarHBondContact O-N 3.49Å; T1015-E1017 WeakPolarHBondContact OG1-CB 3.39Å; T1015-E1017 PolarHBondContact OG1-N 2.77Å; E1017-Q1019 HydrophobicContact CB-CG 4.2Å; E1017-Q1019 HydrophobicContact CG-CG 3.84Å; E1017-Q1019 PolarHBondContact OE2-NE2 2.67Å; E1017-K1045 IonicContact OE2-NZ 2.64Å; E1017-K1045 PolarHBondContact OE2-NZ 2.98Å
1018	H	94.5	Very high	89.3	Confident	4 Å²	4	49 Å²	49	2%	0.019	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	126	172.9	-63.2	-174.4	0	0	0	108.4	S918 P936 N946 F1009 G1016	S918-H1018 WeakPolarHBondContact CB-ND1 2.98Å; S918-H1018 PolarHBondContact OG-ND1 3.05Å; P936-H1018 HydrophobicContact CB-CB 3.72Å; P936-H1018 HydrophobicContact CG-CB 4.36Å; P936-H1018 VanDerWaalsContact CG-O 3.27Å; P936-H1018 WeakPolarHBondContact CG-O 3.3Å; N946-H1018 PolarHBondContact OD1-NE2 3.01Å; F1009-H1018 HydrophobicContact CE1-CB 4.27Å; F1009-H1018 HydrophobicContact CE2-CB 4.36Å; F1009-H1018 HydrophobicContact CZ-CB 3.67Å; F1009-H1018 AromaticContact CZ-CG 3.72Å; F1009-H1018 AromaticContact CZ-ND1 3.58Å; G1016-H1018 PolarHBondContact O-CD2 3.31Å; G1016-H1018 PolarHBondContact O-N 3.17Å
1019	Q	93.7	Very high	88.7	Confident	17 Å²	17	48.7 Å²	48.7	8%	0.079	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	139.9	-170.5	-62.4	177.5	-9.7	0	0	110.8	E1010 N1012 E1017 I1021	E1010-Q1019 PolarHBondContact N-O 2.86Å; E1010-Q1019 VanDerWaalsContact N-O 3.08Å; E1010-Q1019 PolarHBondContact O-N 3.07Å; N1012-Q1019 PolarHBondContact ND2-NE2 3.23Å; E1017-Q1019 HydrophobicContact CB-CG 4.2Å; E1017-Q1019 HydrophobicContact CG-CG 3.84Å; E1017-Q1019 PolarHBondContact OE2-NE2 2.67Å; Q1019-I1021 HydrophobicContact CB-CD1 4.4Å; Q1019-I1021 HydrophobicContact CB-CG1 4.16Å
1020	I	95.5	Very high	87.9	Confident	2 Å²	2	52.8 Å²	52.8	1%	0.01	28%	0.277	C	S	.	.			trans	-113	101.9	163.7	-63	-177.7	0	0	0	105.7	I935 V1001 L1002 T1005 T1007 F1009 K1045 R1046	I935-I1020 HydrophobicContact CG2-CD1 3.58Å; V1001-I1020 HydrophobicContact CG1-CD1 3.76Å; L1002-I1020 HydrophobicContact CD2-CD1 4.18Å; L1002-I1020 HydrophobicContact CD2-CG1 4.24Å; L1002-I1020 HydrophobicContact CD2-CG2 4.36Å; T1005-I1020 HydrophobicContact CG2-CG2 4.21Å; T1007-I1020 HydrophobicContact CG2-CG2 3.51Å; F1009-I1020 HydrophobicContact CD2-CG1 4.46Å; I1020-K1045 CarbonylContact O-C 3.49Å; I1020-K1045 WeakPolarHBondContact O-CA 3.28Å; I1020-R1046 HydrophobicContact CG2-CB 4.2Å; I1020-R1046 PolarHBondContact O-N 3.32Å
1021	I	93.4	Very high	87.4	Confident	22 Å²	22	54.9 Å²	54.9	11%	0.113	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-101.3	105.6	177.9	-59.6	168.6	0	0	0	107	T1007 Q1019 K1023 K1041 F1044 K1045	T1007-I1021 WeakPolarHBondContact CB-O 3.35Å; T1007-I1021 WeakPolarHBondContact CG2-O 3.44Å; T1007-I1021 PolarHBondContact OG1-O 3.3Å; Q1019-I1021 HydrophobicContact CB-CD1 4.4Å; Q1019-I1021 HydrophobicContact CB-CG1 4.16Å; I1021-K1023 PolarHBondContact O-N 2.85Å; I1021-K1041 HydrophobicContact CD1-CD 4.37Å; I1021-F1044 HydrophobicContact CG2-CB 4.03Å; I1021-K1045 HydrophobicContact CG1-CG 4.41Å
1022	A	92	Very high	86.7	Confident	1 Å²	1	53.5 Å²	53.5	1%	0.008	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-62.6	136.5	179.2	0	0	0	0	0	110.4	T1005 F1044 R1046 R1083	T1005-A1022 HydrophobicContact CG2-CB 4.36Å; T1005-A1022 WeakPolarHBondContact O-CA 3.42Å; A1022-F1044 PolarHBondContact N-O 3.29Å; A1022-F1044 WeakPolarHBondContact O-CB 3.43Å; A1022-R1046 HydrophobicContact CB-CG 3.84Å; A1022-R1083 HydrophobicContact CB-CB 4.04Å; A1022-R1083 HydrophobicContact CB-CG 4.15Å
1023	K	86.7	Confident	86.2	Confident	112 Å²	112	56.7 Å²	56.7	49%	0.487	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-73.4	129.1	173.9	-69.6	-173.8	-174.7	-178.8	0	109.4	T1005 N1006 I1021	T1005-K1023 PolarHBondContact O-N 2.93Å; N1006-K1023 VanDerWaalsContact O-CD 3.28Å; N1006-K1023 WeakPolarHBondContact O-CD 3.36Å; N1006-K1023 WeakPolarHBondContact O-CG 3.39Å; I1021-K1023 PolarHBondContact O-N 2.85Å
1024	P	86	Confident	85.8	Confident	25 Å²	25	53.7 Å²	53.7	16%	0.162	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-57.4	140.1	174	-14.6	24.9	0	0	0	109.1	L1029 I1039 F1044	P1024-L1029 HydrophobicContact CB-CD1 3.77Å; P1024-L1029 HydrophobicContact CG-CD1 3.7Å; P1024-I1039 HydrophobicContact CG-CG2 4.45Å; P1024-F1044 HydrophobicContact CB-CD1 4.47Å; P1024-F1044 HydrophobicContact CB-CE1 3.76Å; P1024-F1044 HydrophobicContact CB-CZ 3.84Å; P1024-F1044 HydrophobicContact CG-CD1 4.17Å; P1024-F1044 HydrophobicContact CG-CD2 4.34Å; P1024-F1044 HydrophobicContact CG-CE1 3.78Å; P1024-F1044 HydrophobicContact CG-CE2 3.96Å; P1024-F1044 HydrophobicContact CG-CG 4.43Å; P1024-F1044 HydrophobicContact CG-CZ 3.66Å
1025	P	86.9	Confident	85.7	Confident	3 Å²	3	55.6 Å²	55.6	2%	0.019	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-54.6	142	170.3	-16.8	23.5	0	0	0	111.8	E594 T595 I1027 L1028 L1029 K1081	E594-P1025 VanDerWaalsContact O-CA 3.29Å; E594-P1025 WeakPolarHBondContact O-CA 3.05Å; T595-P1025 WeakPolarHBondContact O-CB 3.29Å; P1025-I1027 PolarHBondContact O-N 2.99Å; P1025-I1027 VanDerWaalsContact O-N 3.13Å; P1025-L1028 HydrophobicContact CB-CG 4.4Å; P1025-L1028 HydrophobicContact CG-CD1 3.95Å; P1025-L1028 HydrophobicContact CG-CG 4.21Å; P1025-L1028 WeakPolarHBondContact O-CA 3.22Å; P1025-L1028 WeakPolarHBondContact O-CB 3.26Å; P1025-L1028 PolarHBondContact O-N 3.24Å; P1025-L1029 PolarHBondContact O-N 2.96Å; P1025-K1081 WeakPolarHBondContact CG-O 2.86Å
1026	T	85.5	Confident	85.1	Confident	65 Å²	65	58 Å²	58	40%	0.399	30%	0.298	S	S	.	.	H	α-helix	trans	-51.3	-41.6	-176.9	-47.8	0	0	0	0	112.7	E594 L1028 L1029 E1030	E594-T1026 PolarHBondContact O-N 3.38Å; E594-T1026 PolarHBondContact O-OG1 2.96Å; T1026-L1028 VanDerWaalsContact C-N 3.33Å; T1026-L1028 PolarHBondContact O-N 3.39Å; T1026-L1029 WeakPolarHBondContact O-CA 3.43Å; T1026-L1029 VanDerWaalsContact O-CB 3.28Å; T1026-L1029 WeakPolarHBondContact O-CB 3.27Å; T1026-L1029 PolarHBondContact O-N 3.2Å; T1026-L1029 VanDerWaalsContact O-N 3.12Å; T1026-E1030 WeakPolarHBondContact O-CG 3.14Å; T1026-E1030 PolarHBondContact O-N 3.45Å
1027	I	81	Confident	84.1	Confident	44 Å²	44	63 Å²	63	23%	0.226	32%	0.32	C	S	.	.	H	α-helix	trans	-65.1	-36	179.4	-60.8	168.4	0	0	0	112.2	T595 Q597 P1025 K1031	T595-I1027 VanDerWaalsContact O-CD1 3.31Å; T595-I1027 WeakPolarHBondContact O-CD1 3.36Å; T595-I1027 WeakPolarHBondContact O-CG1 3.25Å; Q597-I1027 HydrophobicContact CB-CD1 4.21Å; Q597-I1027 HydrophobicContact CG-CD1 3.54Å; P1025-I1027 PolarHBondContact O-N 2.99Å; P1025-I1027 VanDerWaalsContact O-N 3.13Å; I1027-K1031 WeakPolarHBondContact O-CG 3.38Å; I1027-K1031 PolarHBondContact O-N 3.01Å
1028	L	80.7	Confident	83	Confident	61 Å²	61	70.2 Å²	70.2	32%	0.319	35%	0.354	S	S	.	.	H	α-helix	trans	-71.6	-38.2	174.4	-69.1	-171.5	0	0	0	110.5	P1025 T1026 K1031 M1032	P1025-L1028 HydrophobicContact CB-CG 4.4Å; P1025-L1028 HydrophobicContact CG-CD1 3.95Å; P1025-L1028 HydrophobicContact CG-CG 4.21Å; P1025-L1028 WeakPolarHBondContact O-CA 3.22Å; P1025-L1028 WeakPolarHBondContact O-CB 3.26Å; P1025-L1028 PolarHBondContact O-N 3.24Å; T1026-L1028 VanDerWaalsContact C-N 3.33Å; T1026-L1028 PolarHBondContact O-N 3.39Å; L1028-K1031 PolarHBondContact O-N 3.13Å; L1028-M1032 WeakPolarHBondContact O-CG 3.24Å; L1028-M1032 PolarHBondContact O-N 3.2Å
1029	L	80.1	Confident	81.7	Confident	56 Å²	56	73.8 Å²	73.8	29%	0.293	37%	0.372	S	S	.	.	H	α-helix	trans	-60.2	-48.4	176.6	-146	97.7	0	0	0	111.3	P1024 P1025 T1026 K1031 M1032 I1033 I1039	P1024-L1029 HydrophobicContact CB-CD1 3.77Å; P1024-L1029 HydrophobicContact CG-CD1 3.7Å; P1025-L1029 PolarHBondContact O-N 2.96Å; T1026-L1029 WeakPolarHBondContact O-CA 3.43Å; T1026-L1029 VanDerWaalsContact O-CB 3.28Å; T1026-L1029 WeakPolarHBondContact O-CB 3.27Å; T1026-L1029 PolarHBondContact O-N 3.2Å; T1026-L1029 VanDerWaalsContact O-N 3.12Å; L1029-K1031 VanDerWaalsContact C-N 3.3Å; L1029-K1031 PolarHBondContact O-N 3.4Å; L1029-M1032 PolarHBondContact O-N 3.15Å; L1029-M1032 VanDerWaalsContact O-N 3.11Å; L1029-I1033 HydrophobicContact CD2-CD1 4.01Å; L1029-I1033 HydrophobicContact CG-CD1 4.32Å; L1029-I1033 VanDerWaalsContact O-CG1 3.27Å; L1029-I1033 WeakPolarHBondContact O-CG1 3.4Å; L1029-I1033 PolarHBondContact O-N 3.12Å; L1029-I1039 HydrophobicContact CD1-CD1 3.73Å; L1029-I1039 HydrophobicContact CG-CD1 4.38Å
1030	E	80	Confident	80.8	Confident	109 Å²	109	79.9 Å²	79.9	51%	0.509	40%	0.401	S	S	.	.	H	α-helix	trans	-56.8	-43.1	176.3	-72.7	169.5	-172.3	0	0	111.9	T1026 I1033 N1034	T1026-E1030 WeakPolarHBondContact O-CG 3.14Å; T1026-E1030 PolarHBondContact O-N 3.45Å; E1030-I1033 PolarHBondContact O-N 3.24Å; E1030-N1034 WeakPolarHBondContact O-CB 3.36Å; E1030-N1034 PolarHBondContact O-N 2.93Å; E1030-N1034 PolarHBondContact O-ND2 2.93Å
1031	K	81.8	Confident	79.9	Confident	123 Å²	123	86.5 Å²	86.5	54%	0.535	43%	0.429	S	S	.	.	H	α-helix	trans	-66.7	-35.8	176.6	-72.5	175.7	-177.3	-178.9	0	113	I1027 L1028 L1029 K1035	I1027-K1031 WeakPolarHBondContact O-CG 3.38Å; I1027-K1031 PolarHBondContact O-N 3.01Å; L1028-K1031 PolarHBondContact O-N 3.13Å; L1029-K1031 VanDerWaalsContact C-N 3.3Å; L1029-K1031 PolarHBondContact O-N 3.4Å; K1031-K1035 WeakPolarHBondContact O-CG 3.32Å; K1031-K1035 PolarHBondContact O-N 3.4Å
1032	M	78.4	Confident	79.1	Confident	33 Å²	33	90.9 Å²	90.9	16%	0.163	45%	0.453	C	S	.	.	H	α-helix	trans	-70.9	-42.4	177.4	-74.2	178.4	174.4	0	0	111.4	L1028 L1029 K1035 S1036 Q1037 I1039 F1044	L1028-M1032 WeakPolarHBondContact O-CG 3.24Å; L1028-M1032 PolarHBondContact O-N 3.2Å; L1029-M1032 PolarHBondContact O-N 3.15Å; L1029-M1032 VanDerWaalsContact O-N 3.11Å; M1032-K1035 CarbonylContact O-C 3.26Å; M1032-K1035 PolarHBondContact O-N 2.91Å; M1032-K1035 VanDerWaalsContact O-N 3.09Å; M1032-S1036 PolarHBondContact O-N 3.47Å; M1032-S1036 VanDerWaalsContact O-N 3.12Å; M1032-Q1037 PolarHBondContact O-N 2.97Å; M1032-Q1037 VanDerWaalsContact O-N 3.09Å; M1032-I1039 HydrophobicContact SD-CG1 4.46Å; M1032-F1044 HydrophobicContact CE-CZ 4.09Å
1033	I	79.2	Confident	78.6	Confident	109 Å²	109	96.6 Å²	96.6	56%	0.559	48%	0.478	S	S	*	.	H	α-helix	trans	-60.4	-46.8	175.9	-67.8	164.3	0	0	0	110.2	L1029 E1030 K1035 S1036	L1029-I1033 HydrophobicContact CD2-CD1 4.01Å; L1029-I1033 HydrophobicContact CG-CD1 4.32Å; L1029-I1033 VanDerWaalsContact O-CG1 3.27Å; L1029-I1033 WeakPolarHBondContact O-CG1 3.4Å; L1029-I1033 PolarHBondContact O-N 3.12Å; E1030-I1033 PolarHBondContact O-N 3.24Å; I1033-K1035 PolarHBondContact O-N 3.31Å; I1033-K1035 VanDerWaalsContact O-N 3.15Å; I1033-S1036 PolarHBondContact O-N 3.27Å
1034	N	77.8	Confident	78.7	Confident	137 Å²	137	92.3 Å²	92.3	73%	0.733	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-19.9	177.2	-71.2	-15.6	0	0	0	113.7	E1030	E1030-N1034 WeakPolarHBondContact O-CB 3.36Å; E1030-N1034 PolarHBondContact O-N 2.93Å; E1030-N1034 PolarHBondContact O-ND2 2.93Å
1035	K	80.4	Confident	79	Confident	146 Å²	146	92.7 Å²	92.7	64%	0.635	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.4	3	177.2	-71.5	-177.7	177.9	-171.8	0	113.5	K1031 M1032 I1033 Q1037	K1031-K1035 WeakPolarHBondContact O-CG 3.32Å; K1031-K1035 PolarHBondContact O-N 3.4Å; M1032-K1035 CarbonylContact O-C 3.26Å; M1032-K1035 PolarHBondContact O-N 2.91Å; M1032-K1035 VanDerWaalsContact O-N 3.09Å; I1033-K1035 PolarHBondContact O-N 3.31Å; I1033-K1035 VanDerWaalsContact O-N 3.15Å; K1035-Q1037 HydrophobicContact CB-CG 3.93Å; K1035-Q1037 PolarHBondContact O-N 3.13Å
1036	S	72	Confident	79.4	Confident	115 Å²	115	92.9 Å²	92.9	80%	0.804	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	35	-174.7	-50.3	0	0	0	0	113.3	M1032 I1033	M1032-S1036 PolarHBondContact O-N 3.47Å; M1032-S1036 VanDerWaalsContact O-N 3.12Å; I1033-S1036 PolarHBondContact O-N 3.27Å
1037	Q	68	Low	80	Confident	109 Å²	109	92.1 Å²	92.1	51%	0.509	45%	0.449	S	S	.	.			trans	-88.8	127.6	178.7	-71.7	-176.6	-21.5	0	0	110.5	M1032 K1035	M1032-Q1037 PolarHBondContact O-N 2.97Å; M1032-Q1037 VanDerWaalsContact O-N 3.09Å; K1035-Q1037 HydrophobicContact CB-CG 3.93Å; K1035-Q1037 PolarHBondContact O-N 3.13Å
1038	E	69.5	Low	80.8	Confident	182 Å²	182	90 Å²	90	85%	0.85	44%	0.438	S	S	*	.			trans	-67.5	137.9	170.9	-75.6	-171.4	162	0	0	111.5	Q1040	E1038-Q1040 PolarHBondContact O-N 2.91Å; E1038-Q1040 VanDerWaalsContact O-N 3.1Å
1039	I	68	Low	81.6	Confident	79 Å²	79	87.1 Å²	87.1	41%	0.405	42%	0.423	S	S	.	.			trans	-78.1	99.1	177.9	-58.6	175.1	0	0	0	108.4	P1024 L1029 M1032 K1041 F1044	P1024-I1039 HydrophobicContact CG-CG2 4.45Å; L1029-I1039 HydrophobicContact CD1-CD1 3.73Å; L1029-I1039 HydrophobicContact CG-CD1 4.38Å; M1032-I1039 HydrophobicContact SD-CG1 4.46Å; I1039-K1041 PolarHBondContact O-N 3.04Å; I1039-F1044 HydrophobicContact CG2-CD2 4.13Å; I1039-F1044 HydrophobicContact CG2-CE2 3.85Å
1040	Q	73.1	Confident	82.4	Confident	145 Å²	145	84.6 Å²	84.6	68%	0.678	41%	0.41	S	S	*	.			trans	-69	101.5	170	-66.2	179.9	-0.4	0	0	109.5	E1038 D1042 K1043	E1038-Q1040 PolarHBondContact O-N 2.91Å; E1038-Q1040 VanDerWaalsContact O-N 3.1Å; Q1040-D1042 PolarHBondContact O-N 3.12Å; Q1040-K1043 WeakPolarHBondContact O-CB 3.5Å; Q1040-K1043 PolarHBondContact O-N 3.28Å; Q1040-K1043 VanDerWaalsContact O-N 3.13Å
1041	K	77	Confident	83.2	Confident	140 Å²	140	79.5 Å²	79.5	61%	0.609	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-54.2	-35	-178.9	-72.7	-173.8	175.6	-174	0	113	I1021 I1039 K1043 F1044 K1045	I1021-K1041 HydrophobicContact CD1-CD 4.37Å; I1039-K1041 PolarHBondContact O-N 3.04Å; K1041-K1043 VanDerWaalsContact C-N 3.26Å; K1041-K1043 PolarHBondContact O-N 3.29Å; K1041-F1044 PolarHBondContact O-N 3.48Å; K1041-K1045 PolarHBondContact O-N 2.71Å
1042	D	76.5	Confident	83.7	Confident	114 Å²	114	74 Å²	74	61%	0.61	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-61.5	-32.2	-178.9	-76	-30.6	0	0	0	113.3	Q1040 F1044 K1045	Q1040-D1042 PolarHBondContact O-N 3.12Å; D1042-F1044 PolarHBondContact O-N 2.85Å; D1042-K1045 WeakPolarHBondContact O-CB 3.37Å; D1042-K1045 PolarHBondContact O-N 3.23Å; D1042-K1045 WeakPolarHBondContact OD1-CD 3.43Å; D1042-K1045 WeakPolarHBondContact OD1-CE 3.43Å; D1042-K1045 IonicContact OD1-NZ 3.13Å; D1042-K1045 PolarHBondContact OD1-NZ 3.09Å
1043	K	81	Confident	84.3	Confident	122 Å²	122	74 Å²	74	53%	0.53	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-63.5	-23.9	175.8	-171.2	174.3	179.9	175.7	0	112.8	Q1040 K1041 R1046	Q1040-K1043 WeakPolarHBondContact O-CB 3.5Å; Q1040-K1043 PolarHBondContact O-N 3.28Å; Q1040-K1043 VanDerWaalsContact O-N 3.13Å; K1041-K1043 VanDerWaalsContact C-N 3.26Å; K1041-K1043 PolarHBondContact O-N 3.29Å; K1043-R1046 PolarHBondContact O-NH1 3.47Å
1044	F	89.3	Confident	84.9	Confident	21 Å²	21	68.9 Å²	68.9	9%	0.092	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-102	4	-178.4	-63.6	-80.2	0	0	0	113.3	I1021 A1022 P1024 M1032 I1039 K1041 D1042 R1046	I1021-F1044 HydrophobicContact CG2-CB 4.03Å; A1022-F1044 PolarHBondContact N-O 3.29Å; A1022-F1044 WeakPolarHBondContact O-CB 3.43Å; P1024-F1044 HydrophobicContact CB-CD1 4.47Å; P1024-F1044 HydrophobicContact CB-CE1 3.76Å; P1024-F1044 HydrophobicContact CB-CZ 3.84Å; P1024-F1044 HydrophobicContact CG-CD1 4.17Å; P1024-F1044 HydrophobicContact CG-CD2 4.34Å; P1024-F1044 HydrophobicContact CG-CE1 3.78Å; P1024-F1044 HydrophobicContact CG-CE2 3.96Å; P1024-F1044 HydrophobicContact CG-CG 4.43Å; P1024-F1044 HydrophobicContact CG-CZ 3.66Å; M1032-F1044 HydrophobicContact CE-CZ 4.09Å; I1039-F1044 HydrophobicContact CG2-CD2 4.13Å; I1039-F1044 HydrophobicContact CG2-CE2 3.85Å; K1041-F1044 PolarHBondContact O-N 3.48Å; D1042-F1044 PolarHBondContact O-N 2.85Å; F1044-R1046 PolarHBondContact O-N 3.08Å
1045	K	92.5	Very high	85.4	Confident	33 Å²	33	63.5 Å²	63.5	14%	0.143	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-60.2	138	170.4	-78.6	178.2	168	170.3	0	109.6	E1017 I1020 I1021 K1041 D1042 Y1047 E1106	E1017-K1045 IonicContact OE2-NZ 2.64Å; E1017-K1045 PolarHBondContact OE2-NZ 2.98Å; I1020-K1045 CarbonylContact O-C 3.49Å; I1020-K1045 WeakPolarHBondContact O-CA 3.28Å; I1021-K1045 HydrophobicContact CG1-CG 4.41Å; K1041-K1045 PolarHBondContact O-N 2.71Å; D1042-K1045 WeakPolarHBondContact O-CB 3.37Å; D1042-K1045 PolarHBondContact O-N 3.23Å; D1042-K1045 WeakPolarHBondContact OD1-CD 3.43Å; D1042-K1045 WeakPolarHBondContact OD1-CE 3.43Å; D1042-K1045 IonicContact OD1-NZ 3.13Å; D1042-K1045 PolarHBondContact OD1-NZ 3.09Å; K1045-Y1047 HydrophobicContact CB-CE2 4.5Å; K1045-E1106 WeakPolarHBondContact O-CA 3.23Å
1046	R	96.2	Very high	85.9	Confident	8 Å²	8	56.5 Å²	56.5	3%	0.03	28%	0.275	C	S	.	.			trans	-128.2	137.8	177.9	-65.4	-63.3	176.5	-101.3	16.4	109.9	T1005 I1020 A1022 K1043 F1044 D1082 R1083 I1104 S1105 E1106	T1005-R1046 HydrophobicContact CG2-CB 4.13Å; T1005-R1046 HydrophobicContact CG2-CG 3.98Å; I1020-R1046 HydrophobicContact CG2-CB 4.2Å; I1020-R1046 PolarHBondContact O-N 3.32Å; A1022-R1046 HydrophobicContact CB-CG 3.84Å; K1043-R1046 PolarHBondContact O-NH1 3.47Å; F1044-R1046 PolarHBondContact O-N 3.08Å; R1046-D1082 PolarHBondContact NE-O 2.95Å; R1046-D1082 PolarHBondContact NH2-O 3.2Å; R1046-R1083 PolarHBondContact NE-O 3.41Å; R1046-I1104 HydrophobicContact CB-CG2 3.99Å; R1046-I1104 HydrophobicContact CG-CG2 4.22Å; R1046-S1105 WeakPolarHBondContact CA-O 3.47Å; R1046-E1106 IonicContact CZ-OE1 3.25Å; R1046-E1106 IonicContact NH1-OE1 3.4Å; R1046-E1106 PolarHBondContact NH1-OE1 3.42Å; R1046-E1106 IonicContact NH2-OE1 3.03Å; R1046-E1106 PolarHBondContact NH2-OE1 3.19Å
1047	Y	97	Very high	86.7	Confident	49 Å²	49	52.3 Å²	52.3	19%	0.192	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	147.1	170.1	-62.9	-93.6	0	0	0	107.8	I935 P936 K1045 I1104 S1105 E1106 L1108	I935-Y1047 CarbonylContact O-C 3.52Å; I935-Y1047 WeakPolarHBondContact O-CA 3.37Å; P936-Y1047 HydrophobicContact CG-CE1 4.49Å; K1045-Y1047 HydrophobicContact CB-CE2 4.5Å; Y1047-I1104 CarbonylContact O-C 3.55Å; Y1047-I1104 WeakPolarHBondContact O-CA 3.25Å; Y1047-S1105 PolarHBondContact N-O 3.17Å; Y1047-S1105 PolarHBondContact O-N 2.9Å; Y1047-E1106 WeakPolarHBondContact CD2-O 3.37Å; Y1047-L1108 HydrophobicContact CD1-CB 4.18Å; Y1047-L1108 HydrophobicContact CG-CB 4.19Å
1048	A	98	Very high	87.7	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	152.6	177.5	0	0	0	0	0	111.9	T934 I935 V1001 V1050 V1102 S1103 I1104	T934-A1048 CarbonylContact C-O 3.58Å; T934-A1048 VanDerWaalsContact CA-O 3.28Å; T934-A1048 WeakPolarHBondContact CA-O 3.46Å; I935-A1048 HydrophobicContact CB-CB 4.31Å; I935-A1048 PolarHBondContact N-O 3.37Å; I935-A1048 PolarHBondContact O-N 2.9Å; V1001-A1048 HydrophobicContact CG1-CB 4.02Å; V1001-A1048 HydrophobicContact CG2-CB 3.75Å; A1048-V1050 HydrophobicContact CB-CG1 4.38Å; A1048-V1102 HydrophobicContact CB-CG1 4.48Å; A1048-S1103 CarbonylContact C-O 3.54Å; A1048-S1103 WeakPolarHBondContact CA-O 3.34Å; A1048-S1103 WeakPolarHBondContact CB-O 3.39Å; A1048-I1104 HydrophobicContact CB-CG1 4.03Å
1049	V	97.8	Very high	88.5	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	124	166.2	179.7	0	0	0	0	106.5	L922 W931 V1102 S1103 L1108 A1111 L1112 F1115	L922-V1049 HydrophobicContact CD1-CG1 3.85Å; W931-V1049 HydrophobicContact CH2-CG1 4.49Å; V1049-V1102 WeakPolarHBondContact O-CA 3.27Å; V1049-S1103 PolarHBondContact N-O 3.49Å; V1049-S1103 PolarHBondContact O-N 3.03Å; V1049-L1108 HydrophobicContact CG2-CD1 4.32Å; V1049-A1111 HydrophobicContact CG2-CB 4.03Å; V1049-L1112 HydrophobicContact CG1-CD2 4.4Å; V1049-L1112 HydrophobicContact CG2-CD2 3.7Å; V1049-L1112 HydrophobicContact CG2-CG 3.86Å; V1049-F1115 HydrophobicContact CB-CB 4.33Å; V1049-F1115 HydrophobicContact CB-CD2 3.9Å; V1049-F1115 HydrophobicContact CB-CG 4.29Å; V1049-F1115 HydrophobicContact CG1-CB 4.35Å; V1049-F1115 HydrophobicContact CG1-CD1 4.46Å; V1049-F1115 HydrophobicContact CG1-CD2 3.65Å; V1049-F1115 HydrophobicContact CG1-CE2 3.97Å; V1049-F1115 HydrophobicContact CG1-CG 3.92Å; V1049-F1115 HydrophobicContact CG1-CZ 4.49Å
1050	V	97.3	Very high	89.3	Confident	3 Å²	3	37.9 Å²	37.9	2%	0.018	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	143.4	-174.8	-56	0	0	0	0	110.8	G932 E933 I935 M997 V1001 A1048 L1101 V1102	G932-V1050 CarbonylContact C-O 3.45Å; G932-V1050 WeakPolarHBondContact CA-O 2.97Å; E933-V1050 HydrophobicContact CB-CG2 4.2Å; E933-V1050 PolarHBondContact N-O 3.48Å; E933-V1050 WeakPolarHBondContact O-CG2 3.35Å; E933-V1050 PolarHBondContact O-N 3.03Å; I935-V1050 HydrophobicContact CD1-CB 4.41Å; I935-V1050 HydrophobicContact CD1-CG1 3.71Å; I935-V1050 HydrophobicContact CD1-CG2 3.77Å; I935-V1050 HydrophobicContact CG1-CG1 4.4Å; I935-V1050 HydrophobicContact CG1-CG2 4.18Å; M997-V1050 HydrophobicContact CB-CB 4.06Å; M997-V1050 HydrophobicContact CB-CG1 4.25Å; M997-V1050 HydrophobicContact CB-CG2 4.02Å; M997-V1050 HydrophobicContact CE-CB 4.38Å; M997-V1050 HydrophobicContact CG-CB 4.46Å; V1001-V1050 HydrophobicContact CG2-CG1 4.02Å; A1048-V1050 HydrophobicContact CB-CG1 4.38Å; V1050-L1101 WeakPolarHBondContact CA-O 3.46Å; V1050-V1102 HydrophobicContact CG1-CB 4.37Å; V1050-V1102 HydrophobicContact CG1-CG1 3.95Å; V1050-V1102 HydrophobicContact CG1-CG2 4Å
1051	S	95.6	Very high	89.8	Confident	2 Å²	2	33.5 Å²	33.5	1%	0.014	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	139.6	168.2	178.3	0	0	0	0	109.6	W931 R1053 L1054 A1100 L1101	W931-S1051 WeakPolarHBondContact O-CB 3.49Å; W931-S1051 PolarHBondContact O-OG 2.82Å; S1051-R1053 PolarHBondContact OG-N 2.78Å; S1051-R1053 VanDerWaalsContact OG-N 3.13Å; S1051-L1054 WeakPolarHBondContact OG-CG 3.24Å; S1051-A1100 CarbonylContact O-C 3.51Å; S1051-A1100 WeakPolarHBondContact O-CA 3.05Å; S1051-A1100 VanDerWaalsContact O-CB 3.32Å; S1051-A1100 WeakPolarHBondContact O-CB 3.18Å; S1051-L1101 PolarHBondContact N-O 3.25Å; S1051-L1101 PolarHBondContact O-N 3.23Å
1052	T	92.7	Very high	90.1	Very high	8 Å²	8	27.8 Å²	27.8	5%	0.049	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	0.1	167.9	53.7	0	0	0	0	112.3	Y548 D993 M997 M1091 A1100	Y548-T1052 PolarHBondContact OH-O 2.85Å; D993-T1052 HydrophobicContact CB-CG2 4.43Å; M997-T1052 HydrophobicContact CG-CG2 3.54Å; M997-T1052 HydrophobicContact SD-CG2 3.59Å; M997-T1052 VanDerWaalsContact SD-CG2 3.59Å; T1052-M1091 HydrophobicContact CG2-CE 4.15Å; T1052-A1100 HydrophobicContact CG2-CB 4.22Å
1053	R	90.6	Very high	90.4	Very high	33 Å²	33	24.4 Å²	24.4	13%	0.125	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	12.7	-165.4	-61.3	176.9	-178.2	-147.8	-5.9	114.1	Y548 D809 T930 S1051 H1055 N1136	Y548-R1053 WeakPolarHBondContact OH-CA 3.47Å; D809-R1053 VanDerWaalsContact CG-NH2 3.25Å; D809-R1053 IonicContact OD1-CZ 3.98Å; D809-R1053 IonicContact OD1-NH1 2.8Å; D809-R1053 IonicContact OD1-NH2 3.96Å; D809-R1053 PolarHBondContact OD1-NH2 3.26Å; D809-R1053 IonicContact OD2-NH2 3.41Å; T930-R1053 WeakPolarHBondContact O-CD 3.25Å; T930-R1053 PolarHBondContact O-NH1 3.38Å; S1051-R1053 PolarHBondContact OG-N 2.78Å; S1051-R1053 VanDerWaalsContact OG-N 3.13Å; R1053-H1055 PolarHBondContact O-N 3.29Å; R1053-N1136 PolarHBondContact O-ND2 2.93Å
1054	L	91.8	Very high	90.6	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	133.2	174.4	-54.6	177.7	0	0	0	109.3	W931 S1051 R1098 L1099 L1101 F1115 L1119 F1137 V1140	W931-L1054 HydrophobicContact CE3-CD2 4.31Å; S1051-L1054 WeakPolarHBondContact OG-CG 3.24Å; L1054-R1098 CarbonylContact O-C 3.59Å; L1054-R1098 VanDerWaalsContact O-CA 3.29Å; L1054-R1098 WeakPolarHBondContact O-CA 3.3Å; L1054-L1099 HydrophobicContact CB-CB 4.38Å; L1054-L1099 WeakPolarHBondContact CB-O 3.4Å; L1054-L1099 PolarHBondContact N-O 2.83Å; L1054-L1099 PolarHBondContact O-N 2.67Å; L1054-L1101 HydrophobicContact CD1-CB 3.6Å; L1054-L1101 HydrophobicContact CD1-CD2 3.98Å; L1054-L1101 HydrophobicContact CD1-CG 4.43Å; L1054-F1115 HydrophobicContact CD1-CZ 4.03Å; L1054-F1115 HydrophobicContact CD2-CZ 4.42Å; L1054-L1119 HydrophobicContact CD1-CD1 4Å; L1054-L1119 HydrophobicContact CD2-CD1 4.47Å; L1054-L1119 HydrophobicContact CD2-CD2 4.3Å; L1054-F1137 HydrophobicContact CB-CD1 4.33Å; L1054-F1137 HydrophobicContact CB-CE1 3.66Å; L1054-F1137 HydrophobicContact CB-CZ 4.41Å; L1054-V1140 HydrophobicContact CD2-CG1 4.47Å; L1054-V1140 HydrophobicContact CD2-CG2 4.34Å
1055	H	89.1	Confident	90.3	Very high	24 Å²	24	20.6 Å²	20.6	11%	0.111	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	134.5	-178.2	177.7	54.4	0	0	0	111.2	R1053 D1097 R1098 S1135 N1136 F1137	R1053-H1055 PolarHBondContact O-N 3.29Å; H1055-D1097 WeakPolarHBondContact CA-O 3.2Å; H1055-D1097 IonicContact CE1-OD2 3.89Å; H1055-D1097 PolarHBondContact CE1-OD2 3.49Å; H1055-D1097 PolarHBondContact ND1-O 3.46Å; H1055-D1097 IonicContact ND1-OD2 3.75Å; H1055-R1098 VanDerWaalsContact CB-NH1 3.3Å; H1055-R1098 WeakPolarHBondContact ND1-CD 3.34Å; H1055-R1098 PolarHBondContact ND1-NE 3.11Å; H1055-R1098 VanDerWaalsContact ND1-NE 3.16Å; H1055-S1135 VanDerWaalsContact O-CA 3.25Å; H1055-S1135 WeakPolarHBondContact O-CA 2.89Å; H1055-S1135 PolarHBondContact O-OG 3.13Å; H1055-N1136 PolarHBondContact N-OD1 2.88Å; H1055-N1136 PolarHBondContact O-N 2.77Å; H1055-N1136 VanDerWaalsContact O-N 3.13Å; H1055-N1136 PolarHBondContact O-OD1 2.81Å; H1055-F1137 WeakPolarHBondContact O-CD1 3.41Å; H1055-F1137 WeakPolarHBondContact O-CE1 3.17Å
1056	H	91.2	Very high	90.1	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.107	C	C	.	.	B	Isolated β-bridge	trans	-151.8	114.9	168.5	-167.2	-42.4	0	0	0	108.7	N1058 L1059 D1097 H1123 S1127 T1132 I1134 S1135 F1137	H1056-N1058 VanDerWaalsContact C-N 3.3Å; H1056-N1058 PolarHBondContact ND1-N 2.73Å; H1056-N1058 PolarHBondContact O-N 2.76Å; H1056-L1059 HydrophobicContact CB-CD1 3.88Å; H1056-L1059 HydrophobicContact CB-CG 3.98Å; H1056-L1059 VanDerWaalsContact O-CB 3.31Å; H1056-L1059 WeakPolarHBondContact O-CB 3.38Å; H1056-L1059 PolarHBondContact O-N 2.86Å; H1056-D1097 PolarHBondContact N-O 3.42Å; H1056-H1123 AromaticContact CD2-ND1 3.86Å; H1056-H1123 AromaticContact NE2-CE1 3.94Å; H1056-H1123 AromaticContact NE2-ND1 3.81Å; H1056-S1127 PolarHBondContact NE2-OG 2.91Å; H1056-T1132 PolarHBondContact CE1-O 2.89Å; H1056-I1134 WeakPolarHBondContact CA-O 3.42Å; H1056-S1135 PolarHBondContact CD2-OG 3.17Å; H1056-F1137 HydrophobicContact CB-CD1 4.43Å; H1056-F1137 HydrophobicContact CB-CE1 3.95Å; H1056-F1137 HydrophobicContact CB-CE2 4.2Å; H1056-F1137 HydrophobicContact CB-CZ 3.85Å
1057	S	88.5	Confident	89.8	Confident	26 Å²	26	19.9 Å²	19.9	18%	0.182	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-50	-43.1	-178.2	48.7	0	0	0	0	114.3	L1059 S1060 G1133 I1134	S1057-L1059 PolarHBondContact O-N 3.31Å; S1057-S1060 WeakPolarHBondContact O-CB 3.48Å; S1057-S1060 PolarHBondContact O-N 2.87Å; S1057-S1060 PolarHBondContact O-OG 3.29Å; S1057-G1133 VanDerWaalsContact OG-CA 3.25Å; S1057-G1133 WeakPolarHBondContact OG-CA 3.44Å; S1057-I1134 PolarHBondContact N-O 2.96Å; S1057-I1134 PolarHBondContact OG-N 3.36Å; S1057-I1134 PolarHBondContact OG-O 3.05Å; S1057-I1134 VanDerWaalsContact OG-O 3.08Å
1058	N	88.7	Confident	89.4	Confident	12 Å²	12	20.2 Å²	20.2	6%	0.064	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-63.6	-17.7	177.5	-61.9	1.8	0	0	0	115.1	H1056 S1060 M1061 V1126 M1131	H1056-N1058 VanDerWaalsContact C-N 3.3Å; H1056-N1058 PolarHBondContact ND1-N 2.73Å; H1056-N1058 PolarHBondContact O-N 2.76Å; N1058-S1060 PolarHBondContact O-N 2.83Å; N1058-M1061 WeakPolarHBondContact O-CB 3.46Å; N1058-M1061 PolarHBondContact O-N 2.92Å; N1058-V1126 HydrophobicContact CB-CG1 3.54Å; N1058-V1126 PolarHBondContact ND2-O 2.96Å; N1058-M1131 PolarHBondContact ND2-O 3.06Å
1059	L	87.5	Confident	89	Confident	13 Å²	13	22.7 Å²	22.7	7%	0.068	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-61.1	-27.2	174.9	-71.8	170.4	0	0	0	111.9	H1056 S1057 M1061 I1062 F1067 R1096 L1099 V1126 F1137	H1056-L1059 HydrophobicContact CB-CD1 3.88Å; H1056-L1059 HydrophobicContact CB-CG 3.98Å; H1056-L1059 VanDerWaalsContact O-CB 3.31Å; H1056-L1059 WeakPolarHBondContact O-CB 3.38Å; H1056-L1059 PolarHBondContact O-N 2.86Å; S1057-L1059 PolarHBondContact O-N 3.31Å; L1059-M1061 PolarHBondContact O-N 3.48Å; L1059-M1061 VanDerWaalsContact O-N 3.09Å; L1059-I1062 PolarHBondContact O-N 3.02Å; L1059-I1062 VanDerWaalsContact O-N 3.07Å; L1059-F1067 HydrophobicContact CD2-CD2 4.18Å; L1059-F1067 HydrophobicContact CD2-CE2 4.11Å; L1059-R1096 CarbonylContact C-O 3.58Å; L1059-R1096 WeakPolarHBondContact CB-O 3.03Å; L1059-L1099 HydrophobicContact CD1-CB 4.14Å; L1059-V1126 HydrophobicContact CD2-CG1 4.17Å; L1059-V1126 HydrophobicContact CD2-CG2 3.94Å; L1059-V1126 HydrophobicContact CG-CG1 4.29Å; L1059-F1137 HydrophobicContact CD1-CZ 4.13Å
1060	S	84.4	Confident	88.7	Confident	43 Å²	43	23.8 Å²	23.8	30%	0.301	13%	0.125	S	C	.	.	G	3₁₀ helix	trans	-55.9	-25.9	174.1	63.4	0	0	0	0	113.9	S1057 N1058 R1095 R1096	S1057-S1060 WeakPolarHBondContact O-CB 3.48Å; S1057-S1060 PolarHBondContact O-N 2.87Å; S1057-S1060 PolarHBondContact O-OG 3.29Å; N1058-S1060 PolarHBondContact O-N 2.83Å; S1060-R1095 VanDerWaalsContact CA-O 3.26Å; S1060-R1095 WeakPolarHBondContact CA-O 3.36Å; S1060-R1095 WeakPolarHBondContact CB-O 3.27Å; S1060-R1096 PolarHBondContact N-O 3.19Å
1061	M	82.6	Confident	88.5	Confident	53 Å²	53	23.8 Å²	23.8	26%	0.261	13%	0.125	S	C	.	.	G	3₁₀ helix	trans	-91.3	-10	-175.8	-54.9	177.8	-179.3	0	0	112.7	L117 L135 N1058 L1059 M1131	L117-M1061 HydrophobicContact CD2-CE 4.15Å; L135-M1061 HydrophobicContact CD2-CB 4.43Å; L135-M1061 HydrophobicContact CD2-CG 4.4Å; L135-M1061 HydrophobicContact CD2-SD 3.49Å; L135-M1061 WeakPolarHBondContact CD2-SD 3.15Å; N1058-M1061 WeakPolarHBondContact O-CB 3.46Å; N1058-M1061 PolarHBondContact O-N 2.92Å; L1059-M1061 PolarHBondContact O-N 3.48Å; L1059-M1061 VanDerWaalsContact O-N 3.09Å; M1061-M1131 HydrophobicContact CE-CE 3.9Å; M1061-M1131 HydrophobicContact SD-CE 3.5Å; M1061-M1131 VanDerWaalsContact SD-CE 3.5Å
1062	I	83.2	Confident	88.2	Confident	20 Å²	20	31.8 Å²	31.8	10%	0.103	16%	0.16	C	C	.	.	S	Bend	trans	-107.3	120.5	-173.8	-57	174.8	0	0	0	109.2	L1059 V1066 F1067 V1126	L1059-I1062 PolarHBondContact O-N 3.02Å; L1059-I1062 VanDerWaalsContact O-N 3.07Å; I1062-V1066 HydrophobicContact CG2-CB 4.15Å; I1062-V1066 HydrophobicContact CG2-CG1 4.24Å; I1062-F1067 HydrophobicContact CG2-CB 3.96Å; I1062-V1126 HydrophobicContact CD1-CB 4.28Å; I1062-V1126 HydrophobicContact CD1-CG1 3.99Å; I1062-V1126 HydrophobicContact CD1-CG2 3.71Å
1063	Q	83.4	Confident	88.2	Confident	42 Å²	42	34.6 Å²	34.6	20%	0.196	18%	0.184	C	C	.	.			trans	-66	144.5	171.2	-64.1	-169.5	-7.6	0	0	111	S139 S1065 V1066 F1067	S139-Q1063 PolarHBondContact O-NE2 2.93Å; Q1063-S1065 PolarHBondContact O-N 2.54Å; Q1063-S1065 VanDerWaalsContact O-N 3.17Å; Q1063-V1066 HydrophobicContact CB-CG2 4.42Å; Q1063-V1066 WeakPolarHBondContact O-CB 3.4Å; Q1063-V1066 PolarHBondContact O-N 3.24Å; Q1063-F1067 PolarHBondContact O-N 3.5Å
1064	Y	85.1	Confident	88.3	Confident	15 Å²	15	35.4 Å²	35.4	6%	0.059	19%	0.191	C	C	.	.	H	α-helix	trans	-57	-35.4	179.6	-74.1	-62.8	0	0	0	113.1	L579 V1066 F1067 F1068 P1090 M1091 R1096	L579-Y1064 HydrophobicContact CD1-CD2 4.23Å; L579-Y1064 HydrophobicContact CD1-CE2 3.61Å; L579-Y1064 HydrophobicContact CD2-CD1 4.23Å; L579-Y1064 HydrophobicContact CD2-CD2 3.42Å; L579-Y1064 VanDerWaalsContact CD2-CD2 3.42Å; L579-Y1064 HydrophobicContact CD2-CE1 4.31Å; L579-Y1064 HydrophobicContact CD2-CE2 3.51Å; L579-Y1064 HydrophobicContact CD2-CG 3.81Å; L579-Y1064 HydrophobicContact CG-CD2 3.71Å; L579-Y1064 HydrophobicContact CG-CE2 3.63Å; Y1064-V1066 VanDerWaalsContact C-N 3.27Å; Y1064-V1066 PolarHBondContact O-N 3.14Å; Y1064-F1067 PolarHBondContact O-N 3.07Å; Y1064-F1068 HydrophobicContact CD1-CE2 4.36Å; Y1064-F1068 WeakPolarHBondContact O-CD2 3.42Å; Y1064-F1068 PolarHBondContact O-N 3.35Å; Y1064-P1090 HydrophobicContact CD1-CB 4.11Å; Y1064-P1090 HydrophobicContact CE1-CB 3.51Å; Y1064-M1091 PolarHBondContact OH-O 3.45Å; Y1064-R1096 HydrophobicContact CE2-CG 4.36Å
1065	S	84.1	Confident	88.3	Confident	49 Å²	49	45.4 Å²	45.4	34%	0.343	23%	0.23	S	C	.	.	H	α-helix	trans	-59.2	-36.4	175.4	65.2	0	0	0	0	112.9	Q1063 K1069	Q1063-S1065 PolarHBondContact O-N 2.54Å; Q1063-S1065 VanDerWaalsContact O-N 3.17Å; S1065-K1069 VanDerWaalsContact O-CG 3.3Å; S1065-K1069 WeakPolarHBondContact O-CG 3.43Å
1066	V	88.2	Confident	88.6	Confident	20 Å²	20	45 Å²	45	12%	0.121	23%	0.228	C	C	.	.	H	α-helix	trans	-78	-46	175.2	-179.9	0	0	0	0	110.2	L138 P141 I1062 Q1063 Y1064 F1068 K1069 I1070	L138-V1066 HydrophobicContact CD2-CG1 4.38Å; P141-V1066 HydrophobicContact CG-CG2 4.17Å; I1062-V1066 HydrophobicContact CG2-CB 4.15Å; I1062-V1066 HydrophobicContact CG2-CG1 4.24Å; Q1063-V1066 HydrophobicContact CB-CG2 4.42Å; Q1063-V1066 WeakPolarHBondContact O-CB 3.4Å; Q1063-V1066 PolarHBondContact O-N 3.24Å; Y1064-V1066 VanDerWaalsContact C-N 3.27Å; Y1064-V1066 PolarHBondContact O-N 3.14Å; V1066-F1068 VanDerWaalsContact C-N 3.34Å; V1066-F1068 PolarHBondContact O-N 2.88Å; V1066-K1069 WeakPolarHBondContact O-CA 3.41Å; V1066-K1069 WeakPolarHBondContact O-CB 3.4Å; V1066-K1069 PolarHBondContact O-N 3.16Å; V1066-I1070 HydrophobicContact CG1-CD1 4.15Å; V1066-I1070 WeakPolarHBondContact O-CG1 3.39Å; V1066-I1070 PolarHBondContact O-N 3.26Å
1067	F	89	Confident	88.6	Confident	6 Å²	6	46.7 Å²	46.7	3%	0.026	25%	0.246	C	C	.	.	H	α-helix	trans	-52	-49.4	177.2	176.3	-98.4	0	0	0	112.2	L1059 I1062 Q1063 Y1064 K1069 I1070 C1071 F1088 L1099 L1122	L1059-F1067 HydrophobicContact CD2-CD2 4.18Å; L1059-F1067 HydrophobicContact CD2-CE2 4.11Å; I1062-F1067 HydrophobicContact CG2-CB 3.96Å; Q1063-F1067 PolarHBondContact O-N 3.5Å; Y1064-F1067 PolarHBondContact O-N 3.07Å; F1067-K1069 VanDerWaalsContact C-N 3.28Å; F1067-K1069 PolarHBondContact O-N 3.48Å; F1067-I1070 WeakPolarHBondContact O-CB 3.43Å; F1067-I1070 PolarHBondContact O-N 3.19Å; F1067-C1071 PolarHBondContact O-N 3.48Å; F1067-C1071 PolarHBondContact O-SG 2.58Å; F1067-C1071 VanDerWaalsContact O-SG 3.38Å; F1067-F1088 HydrophobicContact CE1-CD1 4.07Å; F1067-F1088 HydrophobicContact CE1-CD2 4.24Å; F1067-F1088 AromaticContact CE1-CE1 4Å; F1067-F1088 HydrophobicContact CE1-CE1 4Å; F1067-F1088 HydrophobicContact CE1-CE2 4.18Å; F1067-F1088 HydrophobicContact CE1-CG 4.17Å; F1067-F1088 HydrophobicContact CE1-CZ 4.06Å; F1067-F1088 HydrophobicContact CZ-CD1 4.09Å; F1067-F1088 AromaticContact CZ-CE1 3.67Å; F1067-F1088 HydrophobicContact CZ-CE1 3.67Å; F1067-F1088 HydrophobicContact CZ-CE2 4.47Å; F1067-F1088 AromaticContact CZ-CZ 3.89Å; F1067-F1088 HydrophobicContact CZ-CZ 3.89Å; F1067-L1099 HydrophobicContact CE1-CD1 4.27Å; F1067-L1099 HydrophobicContact CE2-CD2 4.25Å; F1067-L1099 HydrophobicContact CZ-CD1 4.03Å; F1067-L1099 HydrophobicContact CZ-CD2 3.79Å; F1067-L1122 HydrophobicContact CE2-CD1 4.33Å; F1067-L1122 HydrophobicContact CE2-CD2 3.8Å; F1067-L1122 HydrophobicContact CZ-CD1 4.2Å; F1067-L1122 HydrophobicContact CZ-CD2 4.16Å
1068	F	89.5	Confident	88.9	Confident	56 Å²	56	47.5 Å²	47.5	25%	0.246	25%	0.245	C	C	.	.	H	α-helix	trans	-68.7	-24.7	179.3	-71.1	-59.3	0	0	0	113.6	Y582 Y1064 V1066 K1072 F1088 P1090	Y582-F1068 HydrophobicContact CD2-CE1 4.3Å; Y582-F1068 AromaticContact CD2-CE2 3.71Å; Y582-F1068 HydrophobicContact CD2-CE2 3.71Å; Y582-F1068 AromaticContact CD2-CZ 3.57Å; Y582-F1068 HydrophobicContact CD2-CZ 3.57Å; Y582-F1068 AromaticContact CE2-CE1 3.79Å; Y582-F1068 HydrophobicContact CE2-CE1 3.79Å; Y582-F1068 HydrophobicContact CE2-CE2 4.04Å; Y582-F1068 AromaticContact CE2-CZ 3.41Å; Y582-F1068 HydrophobicContact CE2-CZ 3.41Å; Y582-F1068 VanDerWaalsContact CE2-CZ 3.41Å; Y582-F1068 HydrophobicContact CG-CE2 4.4Å; Y582-F1068 HydrophobicContact CG-CZ 4.35Å; Y1064-F1068 HydrophobicContact CD1-CE2 4.36Å; Y1064-F1068 WeakPolarHBondContact O-CD2 3.42Å; Y1064-F1068 PolarHBondContact O-N 3.35Å; V1066-F1068 VanDerWaalsContact C-N 3.34Å; V1066-F1068 PolarHBondContact O-N 2.88Å; F1068-K1072 WeakPolarHBondContact O-CB 3.25Å; F1068-K1072 PolarHBondContact O-N 3.05Å; F1068-F1088 HydrophobicContact CD1-CD2 4.48Å; F1068-F1088 HydrophobicContact CE1-CB 4.22Å; F1068-F1088 AromaticContact CE1-CD2 3.9Å; F1068-F1088 HydrophobicContact CE1-CD2 3.9Å; F1068-F1088 HydrophobicContact CE1-CG 4.32Å; F1068-P1090 HydrophobicContact CZ-CG 4.34Å
1069	K	89.4	Confident	89	Confident	51 Å²	51	50.1 Å²	50.1	22%	0.222	26%	0.259	C	S	.	.	H	α-helix	trans	-72.1	-40.2	171.7	-72.8	176.1	173.2	-156.8	0	111.8	I156 S1065 V1066 F1067 C1071 K1072 A1073	I156-K1069 HydrophobicContact CD1-CB 4.4Å; I156-K1069 HydrophobicContact CG2-CD 3.61Å; S1065-K1069 VanDerWaalsContact O-CG 3.3Å; S1065-K1069 WeakPolarHBondContact O-CG 3.43Å; V1066-K1069 WeakPolarHBondContact O-CA 3.41Å; V1066-K1069 WeakPolarHBondContact O-CB 3.4Å; V1066-K1069 PolarHBondContact O-N 3.16Å; F1067-K1069 VanDerWaalsContact C-N 3.28Å; F1067-K1069 PolarHBondContact O-N 3.48Å; K1069-C1071 VanDerWaalsContact C-N 3.31Å; K1069-C1071 PolarHBondContact O-N 2.93Å; K1069-K1072 PolarHBondContact O-N 3.44Å; K1069-A1073 WeakPolarHBondContact O-CB 3.5Å; K1069-A1073 PolarHBondContact O-N 3.16Å
1070	I	90.1	Very high	89	Confident	24 Å²	24	50.7 Å²	50.7	12%	0.123	26%	0.262	C	S	.	.	H	α-helix	trans	-58.6	-46.7	172.1	-64.6	168.6	0	0	0	109.6	V1066 F1067 K1072 A1073 N1074 E1125	V1066-I1070 HydrophobicContact CG1-CD1 4.15Å; V1066-I1070 WeakPolarHBondContact O-CG1 3.39Å; V1066-I1070 PolarHBondContact O-N 3.26Å; F1067-I1070 WeakPolarHBondContact O-CB 3.43Å; F1067-I1070 PolarHBondContact O-N 3.19Å; I1070-K1072 PolarHBondContact O-N 2.98Å; I1070-A1073 PolarHBondContact O-N 3.32Å; I1070-N1074 PolarHBondContact O-N 3.19Å; I1070-N1074 VanDerWaalsContact O-N 3.11Å; I1070-N1074 PolarHBondContact O-ND2 2.99Å; I1070-E1125 HydrophobicContact CG2-CB 3.85Å; I1070-E1125 HydrophobicContact CG2-CG 3.67Å
1071	C	92.8	Very high	89	Confident	3 Å²	3	54.9 Å²	54.9	2%	0.02	28%	0.275	C	S	.	.	H	α-helix	trans	-57.2	-48.6	175	-66.9	0	0	0	0	111.6	F1067 K1069 A1073 N1074 Y1075 I1076 F1088	F1067-C1071 PolarHBondContact O-N 3.48Å; F1067-C1071 PolarHBondContact O-SG 2.58Å; F1067-C1071 VanDerWaalsContact O-SG 3.38Å; K1069-C1071 VanDerWaalsContact C-N 3.31Å; K1069-C1071 PolarHBondContact O-N 2.93Å; C1071-A1073 PolarHBondContact O-N 3.49Å; C1071-N1074 CarbonylContact O-C 3.2Å; C1071-N1074 PolarHBondContact O-N 2.89Å; C1071-Y1075 PolarHBondContact O-N 3.39Å; C1071-I1076 CarbonylContact C-O 3.57Å; C1071-I1076 HydrophobicContact CB-CB 3.99Å; C1071-I1076 HydrophobicContact CB-CG2 4.21Å; C1071-I1076 WeakPolarHBondContact O-CB 3.4Å; C1071-I1076 PolarHBondContact O-N 2.74Å; C1071-F1088 HydrophobicContact CB-CE2 4.44Å
1072	K	91	Very high	89.3	Confident	170 Å²	170	55.8 Å²	55.8	74%	0.739	28%	0.281	S	S	*	.	H	α-helix	trans	-62.1	-41.3	179.5	-171.8	178.9	179.6	-177.6	0	112.7	F1068 K1069 I1070 N1074 Y1075	F1068-K1072 WeakPolarHBondContact O-CB 3.25Å; F1068-K1072 PolarHBondContact O-N 3.05Å; K1069-K1072 PolarHBondContact O-N 3.44Å; I1070-K1072 PolarHBondContact O-N 2.98Å; K1072-N1074 PolarHBondContact O-N 3.43Å; K1072-Y1075 PolarHBondContact O-N 2.85Å; K1072-Y1075 VanDerWaalsContact O-N 3.14Å
1073	A	92.5	Very high	89.7	Confident	66 Å²	66	55 Å²	55	55%	0.545	28%	0.276	S	S	.	.	H	α-helix	trans	-62.9	-31.8	177.5	0	0	0	0	0	112.1	K1069 I1070 C1071 Y1075	K1069-A1073 WeakPolarHBondContact O-CB 3.5Å; K1069-A1073 PolarHBondContact O-N 3.16Å; I1070-A1073 PolarHBondContact O-N 3.32Å; C1071-A1073 PolarHBondContact O-N 3.49Å; A1073-Y1075 VanDerWaalsContact C-N 3.35Å
1074	N	92.5	Very high	90.1	Very high	51 Å²	51	54.9 Å²	54.9	27%	0.273	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	13.3	177.2	-73.7	-76.3	0	0	0	113.7	I1070 C1071 K1072 I1076 I1121	I1070-N1074 PolarHBondContact O-N 3.19Å; I1070-N1074 VanDerWaalsContact O-N 3.11Å; I1070-N1074 PolarHBondContact O-ND2 2.99Å; C1071-N1074 CarbonylContact O-C 3.2Å; C1071-N1074 PolarHBondContact O-N 2.89Å; K1072-N1074 PolarHBondContact O-N 3.43Å; N1074-I1076 HydrophobicContact CB-CD1 3.83Å; N1074-I1076 HydrophobicContact CB-CG1 4.11Å; N1074-I1076 PolarHBondContact O-N 2.82Å; N1074-I1076 VanDerWaalsContact O-N 3.12Å; N1074-I1121 HydrophobicContact CB-CG2 3.83Å; N1074-I1121 VanDerWaalsContact CG-CG2 3.45Å; N1074-I1121 WeakPolarHBondContact OD1-CG2 3.48Å
1075	Y	92	Very high	90.7	Very high	210 Å²	210	54.4 Å²	54.4	82%	0.824	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	27.2	-177.6	-54.6	-86.1	0	0	0	114.1	C1071 K1072 A1073	C1071-Y1075 PolarHBondContact O-N 3.39Å; K1072-Y1075 PolarHBondContact O-N 2.85Å; K1072-Y1075 VanDerWaalsContact O-N 3.14Å; A1073-Y1075 VanDerWaalsContact C-N 3.35Å
1076	I	94.7	Very high	91.3	Very high	14 Å²	14	52.2 Å²	52.2	7%	0.072	26%	0.26	C	S	.	.			trans	-86.3	115.4	173.4	-61.2	162.5	0	0	0	107.6	C1071 N1074 I1086 F1088 T1118 I1121 L1122	C1071-I1076 CarbonylContact C-O 3.57Å; C1071-I1076 HydrophobicContact CB-CB 3.99Å; C1071-I1076 HydrophobicContact CB-CG2 4.21Å; C1071-I1076 WeakPolarHBondContact O-CB 3.4Å; C1071-I1076 PolarHBondContact O-N 2.74Å; N1074-I1076 HydrophobicContact CB-CD1 3.83Å; N1074-I1076 HydrophobicContact CB-CG1 4.11Å; N1074-I1076 PolarHBondContact O-N 2.82Å; N1074-I1076 VanDerWaalsContact O-N 3.12Å; I1076-I1086 HydrophobicContact CG2-CB 3.82Å; I1076-I1086 HydrophobicContact CG2-CG1 4.07Å; I1076-I1086 HydrophobicContact CG2-CG2 3.66Å; I1076-F1088 HydrophobicContact CG2-CE2 4.04Å; I1076-F1088 HydrophobicContact CG2-CZ 4.05Å; I1076-T1118 HydrophobicContact CD1-CG2 4.03Å; I1076-T1118 HydrophobicContact CG1-CG2 4.3Å; I1076-T1118 HydrophobicContact CG2-CG2 3.8Å; I1076-I1121 HydrophobicContact CD1-CB 4.3Å; I1076-I1121 HydrophobicContact CD1-CD1 4.42Å; I1076-I1121 HydrophobicContact CD1-CG2 3.96Å; I1076-L1122 HydrophobicContact CD1-CD2 4.5Å
1077	G	92.5	Very high	91.6	Very high	36 Å²	36	52 Å²	52	37%	0.371	26%	0.259	S	S	.	.	S	Bend	trans	179.5	-179.8	176.5	0	0	0	0	0	112.3	G1085 I1086	G1077-G1085 WeakPolarHBondContact O-CA 3.28Å; G1077-I1086 CarbonylContact C-O 3.59Å; G1077-I1086 VanDerWaalsContact C-O 3.26Å; G1077-I1086 PolarHBondContact O-N 2.96Å
1078	Y	93.1	Very high	91.8	Very high	44 Å²	44	52.2 Å²	52.2	17%	0.173	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	131.2	-179.9	-173.9	-102.6	0	0	0	110.9	A1004 L1080 R1083 I1086 L1087 I1104	A1004-Y1078 VanDerWaalsContact C-OH 3.28Å; A1004-Y1078 HydrophobicContact CB-CE1 4.45Å; A1004-Y1078 HydrophobicContact CB-CE2 4.12Å; A1004-Y1078 PolarHBondContact O-OH 2.71Å; Y1078-L1080 HydrophobicContact CD1-CD2 4.21Å; Y1078-L1080 HydrophobicContact CE1-CD2 4.17Å; Y1078-R1083 WeakPolarHBondContact OH-CA 3.28Å; Y1078-R1083 PolarHBondContact OH-O 3.21Å; Y1078-I1086 PolarHBondContact N-O 2.82Å; Y1078-L1087 HydrophobicContact CD1-CD2 4.39Å; Y1078-L1087 HydrophobicContact CD2-CD1 3.92Å; Y1078-L1087 HydrophobicContact CD2-CD2 4.2Å; Y1078-L1087 HydrophobicContact CD2-CG 3.8Å; Y1078-L1087 HydrophobicContact CE2-CD1 4.17Å; Y1078-L1087 HydrophobicContact CG-CD1 4.27Å; Y1078-L1087 HydrophobicContact CG-CD2 3.8Å; Y1078-L1087 HydrophobicContact CG-CG 3.95Å; Y1078-I1104 HydrophobicContact CE2-CD1 4.14Å
1079	N	91.2	Very high	91.9	Very high	66 Å²	66	49.6 Å²	49.6	35%	0.353	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	110.2	174.5	-176.8	-24.3	0	0	0	109.8	K1081 D1082 R1083 Q1084	N1079-K1081 VanDerWaalsContact C-N 3.32Å; N1079-K1081 PolarHBondContact O-N 2.94Å; N1079-K1081 WeakPolarHBondContact OD1-CB 3.35Å; N1079-K1081 PolarHBondContact OD1-N 2.76Å; N1079-D1082 HydrophobicContact CB-CB 4.44Å; N1079-D1082 PolarHBondContact ND2-OD2 3.31Å; N1079-D1082 PolarHBondContact OD1-N 3.06Å; N1079-R1083 WeakPolarHBondContact O-CA 3.42Å; N1079-R1083 PolarHBondContact O-N 3.11Å; N1079-Q1084 WeakPolarHBondContact CB-O 3.48Å; N1079-Q1084 PolarHBondContact N-O 3.22Å; N1079-Q1084 PolarHBondContact O-N 2.97Å
1080	L	86.9	Confident	91.8	Very high	26 Å²	26	47.1 Å²	47.1	14%	0.136	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-35.7	179.5	-72.8	167.8	0	0	0	113.4	L589 I593 A598 Y1078 R1083	L589-L1080 HydrophobicContact CD1-CD2 4.48Å; L589-L1080 HydrophobicContact CD2-CD1 4.38Å; I593-L1080 HydrophobicContact CG1-CD2 3.57Å; A598-L1080 HydrophobicContact CB-CD1 4Å; Y1078-L1080 HydrophobicContact CD1-CD2 4.21Å; Y1078-L1080 HydrophobicContact CE1-CD2 4.17Å; L1080-R1083 PolarHBondContact O-NH1 2.95Å
1081	K	86.5	Confident	91.3	Very high	131 Å²	131	46.1 Å²	46.1	57%	0.57	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-46.4	-176.9	-68.3	179.2	179.3	176.9	0	111.3	G596 P1025 N1079	G596-K1081 WeakPolarHBondContact O-CG 3.5Å; P1025-K1081 WeakPolarHBondContact CG-O 2.86Å; N1079-K1081 VanDerWaalsContact C-N 3.32Å; N1079-K1081 PolarHBondContact O-N 2.94Å; N1079-K1081 WeakPolarHBondContact OD1-CB 3.35Å; N1079-K1081 PolarHBondContact OD1-N 2.76Å
1082	D	87.9	Confident	90.2	Very high	71 Å²	71	47.2 Å²	47.2	38%	0.38	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-5.6	-175.4	-57.2	-27.3	0	0	0	112.6	R1046 N1079 Q1084	R1046-D1082 PolarHBondContact NE-O 2.95Å; R1046-D1082 PolarHBondContact NH2-O 3.2Å; N1079-D1082 HydrophobicContact CB-CB 4.44Å; N1079-D1082 PolarHBondContact ND2-OD2 3.31Å; N1079-D1082 PolarHBondContact OD1-N 3.06Å; D1082-Q1084 VanDerWaalsContact C-N 3.25Å; D1082-Q1084 HydrophobicContact CB-CG 3.65Å; D1082-Q1084 PolarHBondContact O-N 2.95Å
1083	R	91.1	Very high	88.9	Confident	3 Å²	3	39.6 Å²	39.6	1%	0.011	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	33.8	179.9	-57	-68.9	-165	-130.1	-14.2	114.5	I593 A1022 R1046 Y1078 N1079 L1080	I593-R1083 VanDerWaalsContact C-NH2 3.34Å; I593-R1083 VanDerWaalsContact CG2-NH1 3.29Å; I593-R1083 PolarHBondContact O-NH1 3.35Å; I593-R1083 PolarHBondContact O-NH2 3.3Å; A1022-R1083 HydrophobicContact CB-CB 4.04Å; A1022-R1083 HydrophobicContact CB-CG 4.15Å; R1046-R1083 PolarHBondContact NE-O 3.41Å; Y1078-R1083 WeakPolarHBondContact OH-CA 3.28Å; Y1078-R1083 PolarHBondContact OH-O 3.21Å; N1079-R1083 WeakPolarHBondContact O-CA 3.42Å; N1079-R1083 PolarHBondContact O-N 3.11Å; L1080-R1083 PolarHBondContact O-NH1 2.95Å
1084	Q	93.2	Very high	87.5	Confident	40 Å²	40	46.5 Å²	46.5	19%	0.187	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	161.9	-173.9	60.7	179.6	-1.8	0	0	111.6	N1079 D1082 I1104	N1079-Q1084 WeakPolarHBondContact CB-O 3.48Å; N1079-Q1084 PolarHBondContact N-O 3.22Å; N1079-Q1084 PolarHBondContact O-N 2.97Å; D1082-Q1084 VanDerWaalsContact C-N 3.25Å; D1082-Q1084 HydrophobicContact CB-CG 3.65Å; D1082-Q1084 PolarHBondContact O-N 2.95Å; Q1084-I1104 CarbonylContact C-O 3.5Å; Q1084-I1104 VanDerWaalsContact CA-O 3.25Å; Q1084-I1104 WeakPolarHBondContact CA-O 3.47Å; Q1084-I1104 VanDerWaalsContact CB-O 3.23Å; Q1084-I1104 WeakPolarHBondContact CB-O 3.42Å
1085	G	95.8	Very high	86.4	Confident	6 Å²	6	50.2 Å²	50.2	6%	0.062	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	121.1	-155.5	-178.7	0	0	0	0	0	112.4	G1077 I1104	G1077-G1085 WeakPolarHBondContact O-CA 3.28Å; G1085-I1104 PolarHBondContact N-O 2.97Å; G1085-I1104 PolarHBondContact O-N 3.2Å
1086	I	97.2	Very high	85.8	Confident	3 Å²	3	44.3 Å²	44.3	2%	0.015	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	132	-170.7	-62.2	-58.3	0	0	0	111.5	I1076 G1077 Y1078 F1088 L1101 V1102 K1114 T1118	I1076-I1086 HydrophobicContact CG2-CB 3.82Å; I1076-I1086 HydrophobicContact CG2-CG1 4.07Å; I1076-I1086 HydrophobicContact CG2-CG2 3.66Å; G1077-I1086 CarbonylContact C-O 3.59Å; G1077-I1086 VanDerWaalsContact C-O 3.26Å; G1077-I1086 PolarHBondContact O-N 2.96Å; Y1078-I1086 PolarHBondContact N-O 2.82Å; I1086-F1088 HydrophobicContact CG2-CD2 4.33Å; I1086-F1088 HydrophobicContact CG2-CE1 4.43Å; I1086-F1088 HydrophobicContact CG2-CE2 3.75Å; I1086-F1088 HydrophobicContact CG2-CZ 3.82Å; I1086-L1101 HydrophobicContact CD1-CD1 4.43Å; I1086-L1101 HydrophobicContact CG2-CD1 3.36Å; I1086-V1102 WeakPolarHBondContact CA-O 3.37Å; I1086-K1114 HydrophobicContact CD1-CB 4.49Å; I1086-K1114 HydrophobicContact CD1-CG 3.72Å; I1086-K1114 HydrophobicContact CG1-CG 4.03Å; I1086-T1118 HydrophobicContact CG1-CG2 4.37Å; I1086-T1118 WeakPolarHBondContact CG1-OG1 3.34Å; I1086-T1118 HydrophobicContact CG2-CG2 4.31Å
1087	L	94.8	Very high	85.4	Confident	16 Å²	16	44 Å²	44	8%	0.084	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	150	169.5	-67.7	166	0	0	0	110.1	L586 A1004 Y1078 V1102 I1104	L586-L1087 HydrophobicContact CD1-CD2 4.5Å; A1004-L1087 HydrophobicContact CB-CD1 3.42Å; A1004-L1087 VanDerWaalsContact CB-CD1 3.42Å; Y1078-L1087 HydrophobicContact CD1-CD2 4.39Å; Y1078-L1087 HydrophobicContact CD2-CD1 3.92Å; Y1078-L1087 HydrophobicContact CD2-CD2 4.2Å; Y1078-L1087 HydrophobicContact CD2-CG 3.8Å; Y1078-L1087 HydrophobicContact CE2-CD1 4.17Å; Y1078-L1087 HydrophobicContact CG-CD1 4.27Å; Y1078-L1087 HydrophobicContact CG-CD2 3.8Å; Y1078-L1087 HydrophobicContact CG-CG 3.95Å; L1087-V1102 HydrophobicContact CB-CB 4.21Å; L1087-V1102 PolarHBondContact N-O 3.29Å; L1087-V1102 PolarHBondContact O-N 3.48Å; L1087-I1104 HydrophobicContact CD1-CD1 4.16Å
1088	F	93.8	Very high	85.2	Confident	9 Å²	9	44.6 Å²	44.6	4%	0.039	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	148.2	173.4	-62.8	-82.5	0	0	0	110	Y582 F1067 F1068 C1071 I1076 I1086 P1090 L1099 A1100 L1101 L1122	Y582-F1088 PolarHBondContact OH-O 3.18Å; F1067-F1088 HydrophobicContact CE1-CD1 4.07Å; F1067-F1088 HydrophobicContact CE1-CD2 4.24Å; F1067-F1088 AromaticContact CE1-CE1 4Å; F1067-F1088 HydrophobicContact CE1-CE1 4Å; F1067-F1088 HydrophobicContact CE1-CE2 4.18Å; F1067-F1088 HydrophobicContact CE1-CG 4.17Å; F1067-F1088 HydrophobicContact CE1-CZ 4.06Å; F1067-F1088 HydrophobicContact CZ-CD1 4.09Å; F1067-F1088 AromaticContact CZ-CE1 3.67Å; F1067-F1088 HydrophobicContact CZ-CE1 3.67Å; F1067-F1088 HydrophobicContact CZ-CE2 4.47Å; F1067-F1088 AromaticContact CZ-CZ 3.89Å; F1067-F1088 HydrophobicContact CZ-CZ 3.89Å; F1068-F1088 HydrophobicContact CD1-CD2 4.48Å; F1068-F1088 HydrophobicContact CE1-CB 4.22Å; F1068-F1088 AromaticContact CE1-CD2 3.9Å; F1068-F1088 HydrophobicContact CE1-CD2 3.9Å; F1068-F1088 HydrophobicContact CE1-CG 4.32Å; C1071-F1088 HydrophobicContact CB-CE2 4.44Å; I1076-F1088 HydrophobicContact CG2-CE2 4.04Å; I1076-F1088 HydrophobicContact CG2-CZ 4.05Å; I1086-F1088 HydrophobicContact CG2-CD2 4.33Å; I1086-F1088 HydrophobicContact CG2-CE1 4.43Å; I1086-F1088 HydrophobicContact CG2-CE2 3.75Å; I1086-F1088 HydrophobicContact CG2-CZ 3.82Å; F1088-P1090 VanDerWaalsContact C-CD 3.46Å; F1088-P1090 WeakPolarHBondContact O-CD 3.5Å; F1088-L1099 HydrophobicContact CD1-CD1 3.73Å; F1088-L1099 HydrophobicContact CD1-CD2 3.99Å; F1088-L1099 HydrophobicContact CD1-CG 4.01Å; F1088-L1099 HydrophobicContact CE1-CD1 4.36Å; F1088-L1099 HydrophobicContact CE1-CD2 3.82Å; F1088-L1099 HydrophobicContact CE1-CG 4.36Å; F1088-A1100 WeakPolarHBondContact CA-O 3.46Å; F1088-L1101 HydrophobicContact CD1-CD1 3.9Å; F1088-L1101 HydrophobicContact CE1-CD1 3.49Å; F1088-L1101 VanDerWaalsContact CE1-CD1 3.49Å; F1088-L1101 HydrophobicContact CZ-CD1 3.99Å; F1088-L1122 HydrophobicContact CE1-CD1 4Å; F1088-L1122 HydrophobicContact CZ-CD1 4.15Å
1089	S	91	Very high	85	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.007	19%	0.188	C	C	.	.			trans	-119.8	73.1	167.8	-178.9	0	0	0	0	109.1	I554 Y583 M1091 A1100	I554-S1089 VanDerWaalsContact CG2-OG 3.31Å; I554-S1089 WeakPolarHBondContact CG2-OG 3.39Å; Y583-S1089 PolarHBondContact OH-OG 3.22Å; Y583-S1089 VanDerWaalsContact OH-OG 3.06Å; S1089-M1091 PolarHBondContact O-N 3.36Å; S1089-A1100 PolarHBondContact N-O 2.86Å; S1089-A1100 WeakPolarHBondContact O-CB 3.11Å
1090	P	87	Confident	85.1	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	17%	0.171	C	C	.	.			trans	-60.6	130.8	-177.8	28.4	-36.4	0	0	0	110.8	L579 Y582 Y583 Y1064 F1068 F1088	L579-P1090 HydrophobicContact CD2-CB 3.54Å; L579-P1090 HydrophobicContact CD2-CG 3.47Å; L579-P1090 VanDerWaalsContact CD2-CG 3.47Å; Y582-P1090 HydrophobicContact CD1-CG 3.75Å; Y582-P1090 VanDerWaalsContact CE1-CD 3.5Å; Y582-P1090 HydrophobicContact CE1-CG 3.79Å; Y582-P1090 HydrophobicContact CG-CG 4.34Å; Y583-P1090 HydrophobicContact CE2-CG 4.46Å; Y583-P1090 PolarHBondContact OH-O 2.82Å; Y1064-P1090 HydrophobicContact CD1-CB 4.11Å; Y1064-P1090 HydrophobicContact CE1-CB 3.51Å; F1068-P1090 HydrophobicContact CZ-CG 4.34Å; F1088-P1090 VanDerWaalsContact C-CD 3.46Å; F1088-P1090 WeakPolarHBondContact O-CD 3.5Å
1091	M	80.5	Confident	85.5	Confident	2 Å²	2	38.3 Å²	38.3	1%	0.01	17%	0.165	C	C	.	.			trans	-103.7	133.1	-179.4	-56.8	164.8	-153.7	0	0	107.7	Y548 R552 I554 T1052 Y1064 S1089 S1093 A1100	Y548-M1091 HydrophobicContact CD2-SD 4.04Å; Y548-M1091 HydrophobicContact CE2-SD 3.61Å; R552-M1091 WeakPolarHBondContact CA-SD 3.34Å; R552-M1091 HydrophobicContact CB-CE 4.2Å; R552-M1091 HydrophobicContact CB-SD 4.08Å; R552-M1091 HydrophobicContact CG-CE 3.93Å; R552-M1091 HydrophobicContact CG-SD 3.61Å; I554-M1091 HydrophobicContact CG2-CG 4.42Å; T1052-M1091 HydrophobicContact CG2-CE 4.15Å; Y1064-M1091 PolarHBondContact OH-O 3.45Å; S1089-M1091 PolarHBondContact O-N 3.36Å; M1091-S1093 VanDerWaalsContact C-N 3.28Å; M1091-S1093 PolarHBondContact O-N 3.49Å; M1091-A1100 HydrophobicContact CE-CB 3.41Å; M1091-A1100 VanDerWaalsContact CE-CB 3.41Å
1092	D	68.5	Low	86	Confident	27 Å²	27	32.1 Å²	32.1	14%	0.144	14%	0.138	C	C	.	.			trans	-78	89.1	169.7	-140.9	-32.3	0	0	0	108.8	I575 S576 L579	I575-D1092 WeakPolarHBondContact CA-OD2 3.48Å; I575-D1092 HydrophobicContact CG2-CB 4.5Å; S576-D1092 VanDerWaalsContact CB-OD2 3.29Å; S576-D1092 WeakPolarHBondContact CB-OD2 3.48Å; S576-D1092 PolarHBondContact N-OD2 3.3Å; S576-D1092 PolarHBondContact OG-OD2 3.01Å; L579-D1092 HydrophobicContact CD1-CB 3.71Å
1093	S	65.3	Low	86.5	Confident	10 Å²	10	28.7 Å²	28.7	7%	0.07	12%	0.12	C	C	.	.			trans	-100.9	144.7	163.1	69.5	0	0	0	0	108.1	M1091 R1095 R1096	M1091-S1093 VanDerWaalsContact C-N 3.28Å; M1091-S1093 PolarHBondContact O-N 3.49Å; S1093-R1095 PolarHBondContact O-N 2.9Å; S1093-R1096 WeakPolarHBondContact O-CG 3.21Å; S1093-R1096 PolarHBondContact O-N 3.01Å; S1093-R1096 PolarHBondContact OG-N 3.29Å
1094	Y	61.4	Low	86.8	Confident	211 Å²	211	28.6 Å²	28.6	83%	0.827	12%	0.119	S	C	*	.	T	Hydrogen-bonded Turn	trans	-45.8	-34.3	176	-179.6	-101.1	0	0	0	113.7
1095	R	70.5	Confident	87	Confident	128 Å²	128	26.8 Å²	26.8	48%	0.483	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-24.2	-178.3	-62.3	-175.6	71.4	145.4	6.7	114.8	E544 S1060 S1093 D1097	E544-R1095 WeakPolarHBondContact OE2-CD 3.39Å; E544-R1095 IonicContact OE2-CZ 2.62Å; E544-R1095 IonicContact OE2-NE 2.79Å; E544-R1095 IonicContact OE2-NH1 3.71Å; E544-R1095 PolarHBondContact OE2-NH1 3.19Å; S1060-R1095 VanDerWaalsContact CA-O 3.26Å; S1060-R1095 WeakPolarHBondContact CA-O 3.36Å; S1060-R1095 WeakPolarHBondContact CB-O 3.27Å; S1093-R1095 PolarHBondContact O-N 2.9Å; R1095-D1097 HydrophobicContact CB-CB 4.36Å; R1095-D1097 WeakPolarHBondContact CB-OD1 3.4Å; R1095-D1097 IonicContact CZ-OD2 2.87Å; R1095-D1097 IonicContact NE-OD2 3.78Å; R1095-D1097 PolarHBondContact NE-OD2 2.98Å; R1095-D1097 PolarHBondContact O-N 3.11Å
1096	R	78.9	Confident	86.8	Confident	86 Å²	86	30.3 Å²	30.3	33%	0.325	13%	0.126	S	C	.	.			trans	48.1	27.8	-174	-62.5	-176.9	-69.9	-178.8	-0.7	114.6	L1059 S1060 Y1064 S1093	L1059-R1096 CarbonylContact C-O 3.58Å; L1059-R1096 WeakPolarHBondContact CB-O 3.03Å; S1060-R1096 PolarHBondContact N-O 3.19Å; Y1064-R1096 HydrophobicContact CE2-CG 4.36Å; S1093-R1096 WeakPolarHBondContact O-CG 3.21Å; S1093-R1096 PolarHBondContact O-N 3.01Å; S1093-R1096 PolarHBondContact OG-N 3.29Å
1097	D	86.4	Confident	86.6	Confident	8 Å²	8	32.3 Å²	32.3	4%	0.043	14%	0.14	C	C	.	.			trans	-100.6	7.8	-178.6	60.6	-0.9	0	0	0	113.3	H1055 H1056 R1095	H1055-D1097 WeakPolarHBondContact CA-O 3.2Å; H1055-D1097 IonicContact CE1-OD2 3.89Å; H1055-D1097 PolarHBondContact CE1-OD2 3.49Å; H1055-D1097 PolarHBondContact ND1-O 3.46Å; H1055-D1097 IonicContact ND1-OD2 3.75Å; H1056-D1097 PolarHBondContact N-O 3.42Å; R1095-D1097 HydrophobicContact CB-CB 4.36Å; R1095-D1097 WeakPolarHBondContact CB-OD1 3.4Å; R1095-D1097 IonicContact CZ-OD2 2.87Å; R1095-D1097 IonicContact NE-OD2 3.78Å; R1095-D1097 PolarHBondContact NE-OD2 2.98Å; R1095-D1097 PolarHBondContact O-N 3.11Å
1098	R	88.2	Confident	86.4	Confident	49 Å²	49	32.4 Å²	32.4	19%	0.185	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	148.6	179.2	-58.4	-68.1	178.2	151.9	4.9	110.3	E545 Y548 L1054 H1055	E545-R1098 IonicContact OE1-NH2 3.32Å; Y548-R1098 HydrophobicContact CD2-CB 4.2Å; Y548-R1098 HydrophobicContact CD2-CG 4.03Å; Y548-R1098 HydrophobicContact CE1-CG 4.35Å; Y548-R1098 HydrophobicContact CE2-CB 3.5Å; Y548-R1098 HydrophobicContact CE2-CG 3.58Å; L1054-R1098 CarbonylContact O-C 3.59Å; L1054-R1098 VanDerWaalsContact O-CA 3.29Å; L1054-R1098 WeakPolarHBondContact O-CA 3.3Å; H1055-R1098 VanDerWaalsContact CB-NH1 3.3Å; H1055-R1098 WeakPolarHBondContact ND1-CD 3.34Å; H1055-R1098 PolarHBondContact ND1-NE 3.11Å; H1055-R1098 VanDerWaalsContact ND1-NE 3.16Å
1099	L	88.2	Confident	86.4	Confident	4 Å²	4	34.8 Å²	34.8	2%	0.021	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	136.1	-177.6	-174.1	64.8	0	0	0	110.4	L1054 L1059 F1067 F1088 L1122	L1054-L1099 HydrophobicContact CB-CB 4.38Å; L1054-L1099 WeakPolarHBondContact CB-O 3.4Å; L1054-L1099 PolarHBondContact N-O 2.83Å; L1054-L1099 PolarHBondContact O-N 2.67Å; L1059-L1099 HydrophobicContact CD1-CB 4.14Å; F1067-L1099 HydrophobicContact CE1-CD1 4.27Å; F1067-L1099 HydrophobicContact CE2-CD2 4.25Å; F1067-L1099 HydrophobicContact CZ-CD1 4.03Å; F1067-L1099 HydrophobicContact CZ-CD2 3.79Å; F1088-L1099 HydrophobicContact CD1-CD1 3.73Å; F1088-L1099 HydrophobicContact CD1-CD2 3.99Å; F1088-L1099 HydrophobicContact CD1-CG 4.01Å; F1088-L1099 HydrophobicContact CE1-CD1 4.36Å; F1088-L1099 HydrophobicContact CE1-CD2 3.82Å; F1088-L1099 HydrophobicContact CE1-CG 4.36Å; L1099-L1122 HydrophobicContact CD2-CD1 4.06Å
1100	A	93.3	Very high	86.5	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	133.8	161.5	0	0	0	0	0	110.8	M997 S1051 T1052 F1088 S1089 M1091	M997-A1100 HydrophobicContact CE-CB 4.44Å; S1051-A1100 CarbonylContact O-C 3.51Å; S1051-A1100 WeakPolarHBondContact O-CA 3.05Å; S1051-A1100 VanDerWaalsContact O-CB 3.32Å; S1051-A1100 WeakPolarHBondContact O-CB 3.18Å; T1052-A1100 HydrophobicContact CG2-CB 4.22Å; F1088-A1100 WeakPolarHBondContact CA-O 3.46Å; S1089-A1100 PolarHBondContact N-O 2.86Å; S1089-A1100 WeakPolarHBondContact O-CB 3.11Å; M1091-A1100 HydrophobicContact CE-CB 3.41Å; M1091-A1100 VanDerWaalsContact CE-CB 3.41Å
1101	L	95.8	Very high	86.9	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	137	-176.6	176.9	63	0	0	0	109.1	V1050 S1051 L1054 I1086 F1088 F1115 T1118	V1050-L1101 WeakPolarHBondContact CA-O 3.46Å; S1051-L1101 PolarHBondContact N-O 3.25Å; S1051-L1101 PolarHBondContact O-N 3.23Å; L1054-L1101 HydrophobicContact CD1-CB 3.6Å; L1054-L1101 HydrophobicContact CD1-CD2 3.98Å; L1054-L1101 HydrophobicContact CD1-CG 4.43Å; I1086-L1101 HydrophobicContact CD1-CD1 4.43Å; I1086-L1101 HydrophobicContact CG2-CD1 3.36Å; F1088-L1101 HydrophobicContact CD1-CD1 3.9Å; F1088-L1101 HydrophobicContact CE1-CD1 3.49Å; F1088-L1101 VanDerWaalsContact CE1-CD1 3.49Å; F1088-L1101 HydrophobicContact CZ-CD1 3.99Å; L1101-F1115 HydrophobicContact CB-CE2 3.85Å; L1101-F1115 HydrophobicContact CB-CZ 4.15Å; L1101-F1115 HydrophobicContact CD2-CD1 4.08Å; L1101-F1115 HydrophobicContact CD2-CD2 3.77Å; L1101-F1115 HydrophobicContact CD2-CE1 3.92Å; L1101-F1115 HydrophobicContact CD2-CE2 3.59Å; L1101-F1115 HydrophobicContact CD2-CG 4.02Å; L1101-F1115 HydrophobicContact CD2-CZ 3.67Å; L1101-F1115 HydrophobicContact CG-CD2 3.82Å; L1101-F1115 HydrophobicContact CG-CE2 3.53Å; L1101-F1115 HydrophobicContact CG-CZ 4.04Å; L1101-T1118 HydrophobicContact CD1-CG2 4.26Å; L1101-T1118 HydrophobicContact CD2-CG2 4.3Å
1102	V	97.4	Very high	87.5	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	127.6	172.8	-178.8	0	0	0	0	107.5	M997 L1000 V1001 A1048 V1049 V1050 I1086 L1087 I1104	M997-V1102 HydrophobicContact CE-CG2 3.05Å; L1000-V1102 HydrophobicContact CD2-CG2 3.82Å; L1000-V1102 HydrophobicContact CG-CG2 4.48Å; V1001-V1102 HydrophobicContact CG2-CG1 3.73Å; A1048-V1102 HydrophobicContact CB-CG1 4.48Å; V1049-V1102 WeakPolarHBondContact O-CA 3.27Å; V1050-V1102 HydrophobicContact CG1-CB 4.37Å; V1050-V1102 HydrophobicContact CG1-CG1 3.95Å; V1050-V1102 HydrophobicContact CG1-CG2 4Å; I1086-V1102 WeakPolarHBondContact CA-O 3.37Å; L1087-V1102 HydrophobicContact CB-CB 4.21Å; L1087-V1102 PolarHBondContact N-O 3.29Å; L1087-V1102 PolarHBondContact O-N 3.48Å; V1102-I1104 HydrophobicContact CG1-CD1 4Å; V1102-I1104 HydrophobicContact CG1-CG1 3.66Å
1103	S	98	Very high	88.8	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	130.8	166.5	178.7	0	0	0	0	108.6	A1048 V1049 A1111 K1114	A1048-S1103 CarbonylContact C-O 3.54Å; A1048-S1103 WeakPolarHBondContact CA-O 3.34Å; A1048-S1103 WeakPolarHBondContact CB-O 3.39Å; V1049-S1103 PolarHBondContact N-O 3.49Å; V1049-S1103 PolarHBondContact O-N 3.03Å; S1103-A1111 WeakPolarHBondContact CB-O 3.1Å; S1103-A1111 PolarHBondContact OG-O 3.27Å; S1103-K1114 WeakPolarHBondContact OG-CB 3.33Å
1104	I	97.8	Very high	90.2	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	128.4	178.9	-56	176.8	0	0	0	108.1	V1001 A1004 T1005 R1046 Y1047 A1048 Y1078 Q1084 G1085 L1087 V1102	V1001-I1104 HydrophobicContact CB-CD1 4.48Å; V1001-I1104 HydrophobicContact CG1-CD1 4.18Å; V1001-I1104 HydrophobicContact CG2-CD1 4.38Å; A1004-I1104 HydrophobicContact CB-CD1 3.75Å; T1005-I1104 HydrophobicContact CG2-CD1 4.43Å; T1005-I1104 HydrophobicContact CG2-CG2 4.11Å; R1046-I1104 HydrophobicContact CB-CG2 3.99Å; R1046-I1104 HydrophobicContact CG-CG2 4.22Å; Y1047-I1104 CarbonylContact O-C 3.55Å; Y1047-I1104 WeakPolarHBondContact O-CA 3.25Å; A1048-I1104 HydrophobicContact CB-CG1 4.03Å; Y1078-I1104 HydrophobicContact CE2-CD1 4.14Å; Q1084-I1104 CarbonylContact C-O 3.5Å; Q1084-I1104 VanDerWaalsContact CA-O 3.25Å; Q1084-I1104 WeakPolarHBondContact CA-O 3.47Å; Q1084-I1104 VanDerWaalsContact CB-O 3.23Å; Q1084-I1104 WeakPolarHBondContact CB-O 3.42Å; G1085-I1104 PolarHBondContact N-O 2.97Å; G1085-I1104 PolarHBondContact O-N 3.2Å; L1087-I1104 HydrophobicContact CD1-CD1 4.16Å; V1102-I1104 HydrophobicContact CG1-CD1 4Å; V1102-I1104 HydrophobicContact CG1-CG1 3.66Å
1105	S	96.7	Very high	91.8	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.014	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	174.7	178.1	-59.2	0	0	0	0	111.7	R1046 Y1047 S1107 A1111	R1046-S1105 WeakPolarHBondContact CA-O 3.47Å; Y1047-S1105 PolarHBondContact N-O 3.17Å; Y1047-S1105 PolarHBondContact O-N 2.9Å; S1105-S1107 VanDerWaalsContact C-N 3.3Å; S1105-A1111 WeakPolarHBondContact OG-CA 3.23Å; S1105-A1111 PolarHBondContact OG-N 2.82Å
1106	E	92.9	Very high	92.9	Very high	80 Å²	80	29.3 Å²	29.3	37%	0.374	14%	0.137	S	C	.	.	S	Bend	trans	-74.4	-22.4	-179.7	-40.6	-158.7	134.2	0	0	113	K1045 R1046 Y1047	K1045-E1106 WeakPolarHBondContact O-CA 3.23Å; R1046-E1106 IonicContact CZ-OE1 3.25Å; R1046-E1106 IonicContact NH1-OE1 3.4Å; R1046-E1106 PolarHBondContact NH1-OE1 3.42Å; R1046-E1106 IonicContact NH2-OE1 3.03Å; R1046-E1106 PolarHBondContact NH2-OE1 3.19Å; Y1047-E1106 WeakPolarHBondContact CD2-O 3.37Å
1107	S	92.1	Very high	93.6	Very high	45 Å²	45	27.8 Å²	27.8	32%	0.315	14%	0.139	S	C	.	.	S	Bend	trans	-129.5	154.2	175	68.7	0	0	0	0	111.3	S1105 E1109 E1110 A1111	S1105-S1107 VanDerWaalsContact C-N 3.3Å; S1107-E1109 VanDerWaalsContact C-N 3.33Å; S1107-E1109 PolarHBondContact O-N 3.24Å; S1107-E1110 PolarHBondContact O-N 3.39Å; S1107-E1110 VanDerWaalsContact OG-CB 3.28Å; S1107-E1110 WeakPolarHBondContact OG-CB 3.27Å; S1107-E1110 PolarHBondContact OG-N 3.14Å; S1107-A1111 PolarHBondContact O-N 3.09Å
1108	L	91.5	Very high	94.1	Very high	19 Å²	19	27.6 Å²	27.6	10%	0.099	14%	0.138	C	C	.	.	H	α-helix	trans	-62.1	-41.5	175.8	178.2	60.6	0	0	0	112	I728 T934 S938 Y1047 V1049 E1110 A1111 L1112	I728-L1108 HydrophobicContact CG2-CD2 4.39Å; T934-L1108 HydrophobicContact CG2-CD1 3.72Å; S938-L1108 VanDerWaalsContact OG-CD2 3.3Å; S938-L1108 WeakPolarHBondContact OG-CD2 3.42Å; Y1047-L1108 HydrophobicContact CD1-CB 4.18Å; Y1047-L1108 HydrophobicContact CG-CB 4.19Å; V1049-L1108 HydrophobicContact CG2-CD1 4.32Å; L1108-E1110 VanDerWaalsContact C-N 3.33Å; L1108-E1110 PolarHBondContact O-N 3.37Å; L1108-A1111 PolarHBondContact O-N 3.24Å; L1108-L1112 HydrophobicContact CD1-CD1 4.26Å; L1108-L1112 HydrophobicContact CD1-CG 4.28Å; L1108-L1112 HydrophobicContact CG-CD1 4.01Å; L1108-L1112 HydrophobicContact CG-CG 4.5Å; L1108-L1112 WeakPolarHBondContact O-CG 3.44Å; L1108-L1112 PolarHBondContact O-N 3.26Å
1109	E	92.4	Very high	94.3	Very high	58 Å²	58	25.3 Å²	25.3	27%	0.271	13%	0.129	S	C	.	.	H	α-helix	trans	-57.9	-45.5	177.8	-173.2	-168.1	155.2	0	0	111.5	S1107 L1112 K1113 L1148 I1151	S1107-E1109 VanDerWaalsContact C-N 3.33Å; S1107-E1109 PolarHBondContact O-N 3.24Å; E1109-L1112 PolarHBondContact O-N 3.1Å; E1109-K1113 HydrophobicContact CG-CD 4.29Å; E1109-K1113 WeakPolarHBondContact O-CB 3.47Å; E1109-K1113 WeakPolarHBondContact O-CG 3.33Å; E1109-K1113 PolarHBondContact O-N 3.39Å; E1109-K1113 VanDerWaalsContact OE1-CE 3.26Å; E1109-K1113 WeakPolarHBondContact OE1-CE 3.48Å; E1109-K1113 IonicContact OE1-NZ 3.41Å; E1109-K1113 PolarHBondContact OE1-NZ 3.16Å; E1109-L1148 HydrophobicContact CG-CD2 3.98Å; E1109-I1151 HydrophobicContact CB-CG2 4.21Å; E1109-I1151 HydrophobicContact CG-CG2 3.97Å
1110	E	93.4	Very high	94.5	Very high	82 Å²	82	29.6 Å²	29.6	38%	0.383	15%	0.148	S	C	.	.	H	α-helix	trans	-68.5	-38	177.9	-171.8	178	-170.8	0	0	111.9	S1107 L1108 L1112 K1113 K1114	S1107-E1110 PolarHBondContact O-N 3.39Å; S1107-E1110 VanDerWaalsContact OG-CB 3.28Å; S1107-E1110 WeakPolarHBondContact OG-CB 3.27Å; S1107-E1110 PolarHBondContact OG-N 3.14Å; L1108-E1110 VanDerWaalsContact C-N 3.33Å; L1108-E1110 PolarHBondContact O-N 3.37Å; E1110-L1112 VanDerWaalsContact C-N 3.34Å; E1110-L1112 PolarHBondContact O-N 3.09Å; E1110-K1113 PolarHBondContact O-N 2.69Å; E1110-K1114 VanDerWaalsContact O-CB 3.25Å; E1110-K1114 WeakPolarHBondContact O-CB 3.4Å; E1110-K1114 PolarHBondContact O-N 3.39Å
1111	A	95.4	Very high	94.5	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-61.9	-43.7	176.3	0	0	0	0	0	111.1	V1049 S1103 S1105 S1107 L1108 F1115	V1049-A1111 HydrophobicContact CG2-CB 4.03Å; S1103-A1111 WeakPolarHBondContact CB-O 3.1Å; S1103-A1111 PolarHBondContact OG-O 3.27Å; S1105-A1111 WeakPolarHBondContact OG-CA 3.23Å; S1105-A1111 PolarHBondContact OG-N 2.82Å; S1107-A1111 PolarHBondContact O-N 3.09Å; L1108-A1111 PolarHBondContact O-N 3.24Å; A1111-F1115 VanDerWaalsContact O-CB 3.31Å; A1111-F1115 WeakPolarHBondContact O-CB 3.39Å; A1111-F1115 PolarHBondContact O-N 3.29Å
1112	L	94.1	Very high	94.3	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-62.9	-49.5	173.5	-74.7	165.8	0	0	0	111.5	V1049 L1108 E1109 E1110 K1114 F1115 G1116 M1144 I1147 L1148 I1151	V1049-L1112 HydrophobicContact CG1-CD2 4.4Å; V1049-L1112 HydrophobicContact CG2-CD2 3.7Å; V1049-L1112 HydrophobicContact CG2-CG 3.86Å; L1108-L1112 HydrophobicContact CD1-CD1 4.26Å; L1108-L1112 HydrophobicContact CD1-CG 4.28Å; L1108-L1112 HydrophobicContact CG-CD1 4.01Å; L1108-L1112 HydrophobicContact CG-CG 4.5Å; L1108-L1112 WeakPolarHBondContact O-CG 3.44Å; L1108-L1112 PolarHBondContact O-N 3.26Å; E1109-L1112 PolarHBondContact O-N 3.1Å; E1110-L1112 VanDerWaalsContact C-N 3.34Å; E1110-L1112 PolarHBondContact O-N 3.09Å; L1112-K1114 VanDerWaalsContact C-N 3.32Å; L1112-K1114 PolarHBondContact O-N 3.17Å; L1112-F1115 PolarHBondContact O-N 3.05Å; L1112-G1116 PolarHBondContact O-N 2.92Å; L1112-M1144 HydrophobicContact CB-CE 4.28Å; L1112-M1144 HydrophobicContact CD2-CE 3.92Å; L1112-M1144 WeakPolarHBondContact O-CE 3.41Å; L1112-I1147 HydrophobicContact CD1-CG2 4.01Å; L1112-L1148 HydrophobicContact CB-CD1 4.49Å; L1112-L1148 HydrophobicContact CB-CD2 3.75Å; L1112-L1148 HydrophobicContact CB-CG 4.19Å; L1112-L1148 HydrophobicContact CD1-CD2 4.35Å; L1112-I1151 HydrophobicContact CD1-CD1 3.72Å
1113	K	94.5	Very high	94	Very high	93 Å²	93	33.3 Å²	33.3	40%	0.404	17%	0.167	S	C	.	.	H	α-helix	trans	-56.5	-45.5	176.9	-78.8	173.7	173.7	176.1	0	112.1	E1109 E1110 S1117 L1148	E1109-K1113 HydrophobicContact CG-CD 4.29Å; E1109-K1113 WeakPolarHBondContact O-CB 3.47Å; E1109-K1113 WeakPolarHBondContact O-CG 3.33Å; E1109-K1113 PolarHBondContact O-N 3.39Å; E1109-K1113 VanDerWaalsContact OE1-CE 3.26Å; E1109-K1113 WeakPolarHBondContact OE1-CE 3.48Å; E1109-K1113 IonicContact OE1-NZ 3.41Å; E1109-K1113 PolarHBondContact OE1-NZ 3.16Å; E1110-K1113 PolarHBondContact O-N 2.69Å; K1113-S1117 WeakPolarHBondContact O-CB 3.33Å; K1113-S1117 PolarHBondContact O-N 3.49Å; K1113-S1117 PolarHBondContact O-OG 3.05Å; K1113-L1148 HydrophobicContact CB-CD1 4.46Å; K1113-L1148 HydrophobicContact CG-CD1 3.7Å; K1113-L1148 HydrophobicContact CG-CD2 3.78Å; K1113-L1148 HydrophobicContact CG-CG 4.4Å
1114	K	94.7	Very high	93.5	Very high	82 Å²	82	41.1 Å²	41.1	36%	0.357	20%	0.2	S	C	.	.	H	α-helix	trans	-66.8	-40.8	179.9	-166.3	88.9	179.4	-174.1	0	111.5	I1086 S1103 E1110 L1112 S1117 T1118	I1086-K1114 HydrophobicContact CD1-CB 4.49Å; I1086-K1114 HydrophobicContact CD1-CG 3.72Å; I1086-K1114 HydrophobicContact CG1-CG 4.03Å; S1103-K1114 WeakPolarHBondContact OG-CB 3.33Å; E1110-K1114 VanDerWaalsContact O-CB 3.25Å; E1110-K1114 WeakPolarHBondContact O-CB 3.4Å; E1110-K1114 PolarHBondContact O-N 3.39Å; L1112-K1114 VanDerWaalsContact C-N 3.32Å; L1112-K1114 PolarHBondContact O-N 3.17Å; K1114-S1117 WeakPolarHBondContact CA-OG 3.42Å; K1114-S1117 PolarHBondContact O-OG 3.21Å; K1114-T1118 VanDerWaalsContact O-CB 3.27Å; K1114-T1118 WeakPolarHBondContact O-CB 3.43Å; K1114-T1118 PolarHBondContact O-N 3.27Å; K1114-T1118 PolarHBondContact O-OG1 3.46Å
1115	F	96	Very high	93	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-64.9	-47.6	176.4	-172.3	-68.6	0	0	0	111.1	W931 V1049 L1054 L1101 A1111 L1112 T1118 L1119 V1140 M1144	W931-F1115 HydrophobicContact CH2-CE1 4.02Å; W931-F1115 HydrophobicContact CH2-CZ 4.42Å; W931-F1115 AromaticContact CZ3-CE1 3.59Å; W931-F1115 HydrophobicContact CZ3-CE1 3.59Å; W931-F1115 AromaticContact CZ3-CZ 3.64Å; W931-F1115 HydrophobicContact CZ3-CZ 3.64Å; V1049-F1115 HydrophobicContact CB-CB 4.33Å; V1049-F1115 HydrophobicContact CB-CD2 3.9Å; V1049-F1115 HydrophobicContact CB-CG 4.29Å; V1049-F1115 HydrophobicContact CG1-CB 4.35Å; V1049-F1115 HydrophobicContact CG1-CD1 4.46Å; V1049-F1115 HydrophobicContact CG1-CD2 3.65Å; V1049-F1115 HydrophobicContact CG1-CE2 3.97Å; V1049-F1115 HydrophobicContact CG1-CG 3.92Å; V1049-F1115 HydrophobicContact CG1-CZ 4.49Å; L1054-F1115 HydrophobicContact CD1-CZ 4.03Å; L1054-F1115 HydrophobicContact CD2-CZ 4.42Å; L1101-F1115 HydrophobicContact CB-CE2 3.85Å; L1101-F1115 HydrophobicContact CB-CZ 4.15Å; L1101-F1115 HydrophobicContact CD2-CD1 4.08Å; L1101-F1115 HydrophobicContact CD2-CD2 3.77Å; L1101-F1115 HydrophobicContact CD2-CE1 3.92Å; L1101-F1115 HydrophobicContact CD2-CE2 3.59Å; L1101-F1115 HydrophobicContact CD2-CG 4.02Å; L1101-F1115 HydrophobicContact CD2-CZ 3.67Å; L1101-F1115 HydrophobicContact CG-CD2 3.82Å; L1101-F1115 HydrophobicContact CG-CE2 3.53Å; L1101-F1115 HydrophobicContact CG-CZ 4.04Å; A1111-F1115 VanDerWaalsContact O-CB 3.31Å; A1111-F1115 WeakPolarHBondContact O-CB 3.39Å; A1111-F1115 PolarHBondContact O-N 3.29Å; L1112-F1115 PolarHBondContact O-N 3.05Å; F1115-T1118 WeakPolarHBondContact O-CB 3.27Å; F1115-T1118 PolarHBondContact O-N 3.11Å; F1115-L1119 HydrophobicContact CE1-CD2 4.26Å; F1115-L1119 WeakPolarHBondContact O-CB 3.44Å; F1115-L1119 PolarHBondContact O-N 2.94Å; F1115-V1140 HydrophobicContact CE1-CG1 4.31Å; F1115-M1144 HydrophobicContact CB-CE 3.7Å; F1115-M1144 HydrophobicContact CD1-CE 3.56Å; F1115-M1144 HydrophobicContact CD1-SD 3.43Å; F1115-M1144 WeakPolarHBondContact CD1-SD 3.33Å; F1115-M1144 HydrophobicContact CE1-SD 3.98Å; F1115-M1144 HydrophobicContact CG-CE 3.95Å; F1115-M1144 HydrophobicContact CG-SD 4.4Å
1116	G	94.1	Very high	92.5	Very high	7 Å²	7	45 Å²	45	7%	0.072	22%	0.219	C	C	.	.	H	α-helix	trans	-67.5	-42.5	-177.6	0	0	0	0	0	112.7	L1112 L1119 K1120	L1112-G1116 PolarHBondContact O-N 2.92Å; G1116-L1119 PolarHBondContact O-N 3.26Å; G1116-K1120 WeakPolarHBondContact O-CG 3.34Å; G1116-K1120 PolarHBondContact O-N 2.87Å
1117	S	93.8	Very high	92.1	Very high	54 Å²	54	42 Å²	42	38%	0.378	21%	0.207	S	C	.	.	H	α-helix	trans	-62.4	-42.6	174	53.7	0	0	0	0	112.4	K1113 K1114 L1119 K1120 I1121	K1113-S1117 WeakPolarHBondContact O-CB 3.33Å; K1113-S1117 PolarHBondContact O-N 3.49Å; K1113-S1117 PolarHBondContact O-OG 3.05Å; K1114-S1117 WeakPolarHBondContact CA-OG 3.42Å; K1114-S1117 PolarHBondContact O-OG 3.21Å; S1117-L1119 VanDerWaalsContact C-N 3.33Å; S1117-L1119 PolarHBondContact O-N 3.21Å; S1117-K1120 PolarHBondContact O-N 3.48Å; S1117-I1121 WeakPolarHBondContact O-CG1 3.02Å; S1117-I1121 PolarHBondContact O-N 2.98Å
1118	T	95.3	Very high	91.3	Very high	4 Å²	4	43 Å²	43	3%	0.025	21%	0.211	C	C	.	.	H	α-helix	trans	-58.9	-46.6	174.4	-61.3	0	0	0	0	110.8	I1076 I1086 L1101 K1114 F1115 K1120 I1121 L1122	I1076-T1118 HydrophobicContact CD1-CG2 4.03Å; I1076-T1118 HydrophobicContact CG1-CG2 4.3Å; I1076-T1118 HydrophobicContact CG2-CG2 3.8Å; I1086-T1118 HydrophobicContact CG1-CG2 4.37Å; I1086-T1118 WeakPolarHBondContact CG1-OG1 3.34Å; I1086-T1118 HydrophobicContact CG2-CG2 4.31Å; L1101-T1118 HydrophobicContact CD1-CG2 4.26Å; L1101-T1118 HydrophobicContact CD2-CG2 4.3Å; K1114-T1118 VanDerWaalsContact O-CB 3.27Å; K1114-T1118 WeakPolarHBondContact O-CB 3.43Å; K1114-T1118 PolarHBondContact O-N 3.27Å; K1114-T1118 PolarHBondContact O-OG1 3.46Å; F1115-T1118 WeakPolarHBondContact O-CB 3.27Å; F1115-T1118 PolarHBondContact O-N 3.11Å; T1118-K1120 PolarHBondContact O-N 2.95Å; T1118-I1121 PolarHBondContact O-N 2.84Å; T1118-L1122 HydrophobicContact CG2-CD1 4.07Å; T1118-L1122 HydrophobicContact CG2-CG 4.37Å; T1118-L1122 WeakPolarHBondContact O-CG 3.46Å; T1118-L1122 PolarHBondContact O-N 3.2Å
1119	L	94	Very high	90.2	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-65.6	-37.9	-178.7	-163.1	61.2	0	0	0	112.3	L1054 F1115 G1116 S1117 L1122 H1123 F1137 V1140 I1141	L1054-L1119 HydrophobicContact CD1-CD1 4Å; L1054-L1119 HydrophobicContact CD2-CD1 4.47Å; L1054-L1119 HydrophobicContact CD2-CD2 4.3Å; F1115-L1119 HydrophobicContact CE1-CD2 4.26Å; F1115-L1119 WeakPolarHBondContact O-CB 3.44Å; F1115-L1119 PolarHBondContact O-N 2.94Å; G1116-L1119 PolarHBondContact O-N 3.26Å; S1117-L1119 VanDerWaalsContact C-N 3.33Å; S1117-L1119 PolarHBondContact O-N 3.21Å; L1119-L1122 PolarHBondContact O-N 2.8Å; L1119-H1123 VanDerWaalsContact O-CB 3.28Å; L1119-H1123 WeakPolarHBondContact O-CB 3.14Å; L1119-H1123 PolarHBondContact O-N 3.39Å; L1119-F1137 HydrophobicContact CD1-CB 4.14Å; L1119-F1137 HydrophobicContact CD1-CD1 3.82Å; L1119-F1137 HydrophobicContact CD1-CD2 3.43Å; L1119-F1137 VanDerWaalsContact CD1-CD2 3.43Å; L1119-F1137 HydrophobicContact CD1-CE1 4.02Å; L1119-F1137 HydrophobicContact CD1-CE2 3.62Å; L1119-F1137 HydrophobicContact CD1-CG 3.52Å; L1119-F1137 HydrophobicContact CD1-CZ 3.91Å; L1119-F1137 HydrophobicContact CD2-CB 4.3Å; L1119-F1137 HydrophobicContact CD2-CG 4.46Å; L1119-F1137 HydrophobicContact CG-CB 4.02Å; L1119-F1137 HydrophobicContact CG-CD2 4.04Å; L1119-F1137 HydrophobicContact CG-CG 3.97Å; L1119-V1140 HydrophobicContact CD2-CB 3.84Å; L1119-V1140 HydrophobicContact CD2-CG1 3.48Å; L1119-V1140 VanDerWaalsContact CD2-CG1 3.48Å; L1119-I1141 HydrophobicContact CB-CD1 4.35Å; L1119-I1141 HydrophobicContact CB-CG1 4.06Å; L1119-I1141 HydrophobicContact CD2-CD1 4.48Å; L1119-I1141 HydrophobicContact CD2-CG1 3.89Å; L1119-I1141 HydrophobicContact CG-CD1 4.12Å; L1119-I1141 HydrophobicContact CG-CG1 3.97Å
1120	K	92.6	Very high	89.2	Confident	94 Å²	94	50.1 Å²	50.1	41%	0.409	26%	0.258	S	S	.	.	H	α-helix	trans	-60.5	-45.7	172.7	-74.8	174.4	-178.9	-177	0	112.5	G1116 S1117 T1118 H1123 K1124 I1141 E1145	G1116-K1120 WeakPolarHBondContact O-CG 3.34Å; G1116-K1120 PolarHBondContact O-N 2.87Å; S1117-K1120 PolarHBondContact O-N 3.48Å; T1118-K1120 PolarHBondContact O-N 2.95Å; K1120-H1123 PolarHBondContact O-N 3.22Å; K1120-K1124 PolarHBondContact O-N 3.37Å; K1120-I1141 HydrophobicContact CB-CD1 4.39Å; K1120-I1141 HydrophobicContact CD-CG2 4.2Å; K1120-I1141 VanDerWaalsContact CE-CG2 3.4Å; K1120-I1141 HydrophobicContact CG-CD1 3.78Å; K1120-I1141 HydrophobicContact CG-CG1 4.03Å; K1120-I1141 HydrophobicContact CG-CG2 3.73Å; K1120-E1145 WeakPolarHBondContact CE-OE1 3.45Å; K1120-E1145 IonicContact NZ-OE1 3.37Å; K1120-E1145 PolarHBondContact NZ-OE1 3Å
1121	I	92.5	Very high	88.2	Confident	52 Å²	52	47.9 Å²	47.9	27%	0.267	25%	0.248	S	C	.	.	H	α-helix	trans	-63.1	-50.5	178.2	-67.1	165.4	0	0	0	109.6	N1074 I1076 S1117 T1118 H1123 K1124 E1125	N1074-I1121 HydrophobicContact CB-CG2 3.83Å; N1074-I1121 VanDerWaalsContact CG-CG2 3.45Å; N1074-I1121 WeakPolarHBondContact OD1-CG2 3.48Å; I1076-I1121 HydrophobicContact CD1-CB 4.3Å; I1076-I1121 HydrophobicContact CD1-CD1 4.42Å; I1076-I1121 HydrophobicContact CD1-CG2 3.96Å; S1117-I1121 WeakPolarHBondContact O-CG1 3.02Å; S1117-I1121 PolarHBondContact O-N 2.98Å; T1118-I1121 PolarHBondContact O-N 2.84Å; I1121-H1123 VanDerWaalsContact C-N 3.3Å; I1121-H1123 PolarHBondContact O-N 3.4Å; I1121-K1124 PolarHBondContact O-N 2.64Å; I1121-K1124 VanDerWaalsContact O-N 3.11Å; I1121-E1125 HydrophobicContact CG2-CG 4.25Å; I1121-E1125 WeakPolarHBondContact O-CG 3.28Å; I1121-E1125 PolarHBondContact O-N 3.28Å
1122	L	91.4	Very high	87.1	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-59.9	-41.7	178.4	-68.5	-179.7	0	0	0	111.8	F1067 I1076 F1088 L1099 T1118 L1119 K1124 E1125 V1126 F1137	F1067-L1122 HydrophobicContact CE2-CD1 4.33Å; F1067-L1122 HydrophobicContact CE2-CD2 3.8Å; F1067-L1122 HydrophobicContact CZ-CD1 4.2Å; F1067-L1122 HydrophobicContact CZ-CD2 4.16Å; I1076-L1122 HydrophobicContact CD1-CD2 4.5Å; F1088-L1122 HydrophobicContact CE1-CD1 4Å; F1088-L1122 HydrophobicContact CZ-CD1 4.15Å; L1099-L1122 HydrophobicContact CD2-CD1 4.06Å; T1118-L1122 HydrophobicContact CG2-CD1 4.07Å; T1118-L1122 HydrophobicContact CG2-CG 4.37Å; T1118-L1122 WeakPolarHBondContact O-CG 3.46Å; T1118-L1122 PolarHBondContact O-N 3.2Å; L1119-L1122 PolarHBondContact O-N 2.8Å; L1122-K1124 VanDerWaalsContact C-N 3.32Å; L1122-K1124 PolarHBondContact O-N 3.3Å; L1122-E1125 PolarHBondContact O-N 3.24Å; L1122-V1126 VanDerWaalsContact O-CB 3.26Å; L1122-V1126 WeakPolarHBondContact O-CB 3.34Å; L1122-V1126 WeakPolarHBondContact O-CG2 3.12Å; L1122-V1126 PolarHBondContact O-N 3.47Å; L1122-F1137 HydrophobicContact CB-CE2 4.22Å
1123	H	90.4	Very high	86.3	Confident	26 Å²	26	53.7 Å²	53.7	12%	0.12	29%	0.29	C	S	.	.	H	α-helix	trans	-57.9	-45.8	175.3	-170.3	69.1	0	0	0	111.2	H1056 L1119 K1120 I1121 S1127 F1137 Q1138 I1141	H1056-H1123 AromaticContact CD2-ND1 3.86Å; H1056-H1123 AromaticContact NE2-CE1 3.94Å; H1056-H1123 AromaticContact NE2-ND1 3.81Å; L1119-H1123 VanDerWaalsContact O-CB 3.28Å; L1119-H1123 WeakPolarHBondContact O-CB 3.14Å; L1119-H1123 PolarHBondContact O-N 3.39Å; K1120-H1123 PolarHBondContact O-N 3.22Å; I1121-H1123 VanDerWaalsContact C-N 3.3Å; I1121-H1123 PolarHBondContact O-N 3.4Å; H1123-S1127 PolarHBondContact CE1-OG 3.2Å; H1123-S1127 PolarHBondContact NE2-OG 3.35Å; H1123-S1127 WeakPolarHBondContact O-CA 3.32Å; H1123-S1127 WeakPolarHBondContact O-CB 3.12Å; H1123-S1127 PolarHBondContact O-N 2.94Å; H1123-S1127 PolarHBondContact O-OG 3.18Å; H1123-F1137 HydrophobicContact CB-CB 4.41Å; H1123-F1137 HydrophobicContact CB-CD2 4.05Å; H1123-Q1138 PolarHBondContact NE2-NE2 3.26Å; H1123-I1141 HydrophobicContact CB-CD1 4.41Å
1124	K	88.9	Confident	85.8	Confident	163 Å²	163	55.5 Å²	55.5	71%	0.709	30%	0.303	S	S	*	.	H	α-helix	trans	-67	-37.7	179.3	-174.1	-175.3	176.1	-171	0	113.4	K1120 I1121 L1122	K1120-K1124 PolarHBondContact O-N 3.37Å; I1121-K1124 PolarHBondContact O-N 2.64Å; I1121-K1124 VanDerWaalsContact O-N 3.11Å; L1122-K1124 VanDerWaalsContact C-N 3.32Å; L1122-K1124 PolarHBondContact O-N 3.3Å
1125	E	87.4	Confident	85.5	Confident	75 Å²	75	53 Å²	53	35%	0.35	30%	0.296	S	S	.	.	H	α-helix	trans	-74.6	-32.5	-179.5	-69	-64.5	144.8	0	0	112.2	I1070 I1121 L1122	I1070-E1125 HydrophobicContact CG2-CB 3.85Å; I1070-E1125 HydrophobicContact CG2-CG 3.67Å; I1121-E1125 HydrophobicContact CG2-CG 4.25Å; I1121-E1125 WeakPolarHBondContact O-CG 3.28Å; I1121-E1125 PolarHBondContact O-N 3.28Å; L1122-E1125 PolarHBondContact O-N 3.24Å
1126	V	85.4	Confident	85.2	Confident	9 Å²	9	54.7 Å²	54.7	6%	0.055	31%	0.305	C	S	.	.	H	α-helix	trans	-93.7	-23.9	-176	179.6	0	0	0	0	111.9	N1058 L1059 I1062 L1122	N1058-V1126 HydrophobicContact CB-CG1 3.54Å; N1058-V1126 PolarHBondContact ND2-O 2.96Å; L1059-V1126 HydrophobicContact CD2-CG1 4.17Å; L1059-V1126 HydrophobicContact CD2-CG2 3.94Å; L1059-V1126 HydrophobicContact CG-CG1 4.29Å; I1062-V1126 HydrophobicContact CD1-CB 4.28Å; I1062-V1126 HydrophobicContact CD1-CG1 3.99Å; I1062-V1126 HydrophobicContact CD1-CG2 3.71Å; L1122-V1126 VanDerWaalsContact O-CB 3.26Å; L1122-V1126 WeakPolarHBondContact O-CB 3.34Å; L1122-V1126 WeakPolarHBondContact O-CG2 3.12Å; L1122-V1126 PolarHBondContact O-N 3.47Å
1127	S	84.7	Confident	85.1	Confident	17 Å²	17	54.3 Å²	54.3	12%	0.119	30%	0.301	C	S	.	.			trans	-97.9	123.8	173.5	-65.8	0	0	0	0	111.4	H1056 H1123 M1131 T1132	H1056-S1127 PolarHBondContact NE2-OG 2.91Å; H1123-S1127 PolarHBondContact CE1-OG 3.2Å; H1123-S1127 PolarHBondContact NE2-OG 3.35Å; H1123-S1127 WeakPolarHBondContact O-CA 3.32Å; H1123-S1127 WeakPolarHBondContact O-CB 3.12Å; H1123-S1127 PolarHBondContact O-N 2.94Å; H1123-S1127 PolarHBondContact O-OG 3.18Å; S1127-M1131 WeakPolarHBondContact CA-O 3.36Å; S1127-T1132 PolarHBondContact OG-O 3.35Å
1128	T	75.1	Confident	84.9	Confident	65 Å²	65	57.5 Å²	57.5	40%	0.399	31%	0.31	S	S	.	.	B	Isolated β-bridge	trans	-101.3	160.9	165.1	63.6	0	0	0	0	109.7	N1130 M1131 T1132	T1128-N1130 PolarHBondContact O-N 3.15Å; T1128-M1131 PolarHBondContact N-O 3.12Å; T1128-M1131 CarbonylContact O-C 3.13Å; T1128-M1131 PolarHBondContact O-N 3.09Å; T1128-M1131 WeakPolarHBondContact OG1-CB 3.36Å; T1128-M1131 PolarHBondContact OG1-N 3.33Å; T1128-T1132 PolarHBondContact O-N 3.09Å
1129	P	69.5	Low	84.5	Confident	127 Å²	127	58.8 Å²	58.8	83%	0.825	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-29.8	178.2	-27.4	34.8	0	0	0	113.8
1130	N	71.1	Confident	84.4	Confident	100 Å²	100	58.8 Å²	58.8	54%	0.535	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-4.7	179.2	-63.1	-7.3	0	0	0	113.3	L123 T1128	L123-N1130 HydrophobicContact CD2-CB 4.42Å; T1128-N1130 PolarHBondContact O-N 3.15Å
1131	M	70.7	Confident	84.3	Confident	36 Å²	36	55.1 Å²	55.1	18%	0.177	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-141	71.1	179.7	-58.5	-178	68.6	0	0	110.7	L131 L135 N1058 M1061 S1127 T1128 G1133	L131-M1131 HydrophobicContact CD1-CG 4.22Å; L131-M1131 HydrophobicContact CD1-SD 3.61Å; L131-M1131 HydrophobicContact CD2-SD 4.44Å; L131-M1131 HydrophobicContact CG-SD 4.37Å; L135-M1131 HydrophobicContact CD2-CE 4.35Å; N1058-M1131 PolarHBondContact ND2-O 3.06Å; M1061-M1131 HydrophobicContact CE-CE 3.9Å; M1061-M1131 HydrophobicContact SD-CE 3.5Å; M1061-M1131 VanDerWaalsContact SD-CE 3.5Å; S1127-M1131 WeakPolarHBondContact CA-O 3.36Å; T1128-M1131 PolarHBondContact N-O 3.12Å; T1128-M1131 CarbonylContact O-C 3.13Å; T1128-M1131 PolarHBondContact O-N 3.09Å; T1128-M1131 WeakPolarHBondContact OG1-CB 3.36Å; T1128-M1131 PolarHBondContact OG1-N 3.33Å; M1131-G1133 VanDerWaalsContact C-N 3.27Å
1132	T	73.1	Confident	84.1	Confident	89 Å²	89	57.8 Å²	57.8	55%	0.546	31%	0.314	S	S	.	.			trans	-69.3	-29.5	173.6	51.5	0	0	0	0	112.1	H1056 S1127 T1128	H1056-T1132 PolarHBondContact CE1-O 2.89Å; S1127-T1132 PolarHBondContact OG-O 3.35Å; T1128-T1132 PolarHBondContact O-N 3.09Å
1133	G	78	Confident	83.9	Confident	33 Å²	33	58.7 Å²	58.7	34%	0.34	32%	0.318	S	S	.	.			trans	63.3	169.9	-177.7	0	0	0	0	0	113.3	S1057 M1131	S1057-G1133 VanDerWaalsContact OG-CA 3.25Å; S1057-G1133 WeakPolarHBondContact OG-CA 3.44Å; M1131-G1133 VanDerWaalsContact C-N 3.27Å
1134	I	84.1	Confident	83.7	Confident	131 Å²	131	57.5 Å²	57.5	67%	0.672	31%	0.313	S	S	*	.	S	Bend	trans	-79.6	126.5	165.5	-56.2	171.6	0	0	0	107.5	H1056 S1057	H1056-I1134 WeakPolarHBondContact CA-O 3.42Å; S1057-I1134 PolarHBondContact N-O 2.96Å; S1057-I1134 PolarHBondContact OG-N 3.36Å; S1057-I1134 PolarHBondContact OG-O 3.05Å; S1057-I1134 VanDerWaalsContact OG-O 3.08Å
1135	S	88.3	Confident	83.6	Confident	31 Å²	31	54.4 Å²	54.4	22%	0.217	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-153.2	143.6	-176.2	176.2	0	0	0	0	111.4	H1055 H1056 F1137	H1055-S1135 VanDerWaalsContact O-CA 3.25Å; H1055-S1135 WeakPolarHBondContact O-CA 2.89Å; H1055-S1135 PolarHBondContact O-OG 3.13Å; H1056-S1135 PolarHBondContact CD2-OG 3.17Å; S1135-F1137 VanDerWaalsContact OG-CB 3.29Å; S1135-F1137 WeakPolarHBondContact OG-CB 3.36Å; S1135-F1137 WeakPolarHBondContact OG-CG 3.48Å; S1135-F1137 PolarHBondContact OG-N 3.1Å
1136	N	90	Very high	83.6	Confident	34 Å²	34	56.1 Å²	56.1	18%	0.182	31%	0.309	C	S	.	.	S	Bend	trans	-96.6	2	167.8	68.7	-15.1	0	0	0	112.9	R1053 H1055 Q1138 S1139 V1140	R1053-N1136 PolarHBondContact O-ND2 2.93Å; H1055-N1136 PolarHBondContact N-OD1 2.88Å; H1055-N1136 PolarHBondContact O-N 2.77Å; H1055-N1136 VanDerWaalsContact O-N 3.13Å; H1055-N1136 PolarHBondContact O-OD1 2.81Å; N1136-Q1138 VanDerWaalsContact C-N 3.33Å; N1136-Q1138 PolarHBondContact O-N 3.03Å; N1136-S1139 PolarHBondContact O-N 3.1Å; N1136-V1140 WeakPolarHBondContact O-CG2 3.28Å; N1136-V1140 PolarHBondContact O-N 3.33Å; N1136-V1140 VanDerWaalsContact O-N 3.13Å
1137	F	91.3	Very high	83.6	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-60.7	-42.5	-174.8	-72.9	16.9	0	0	0	111.8	L1054 H1055 H1056 L1059 L1119 L1122 H1123 S1135 S1139 V1140 I1141	L1054-F1137 HydrophobicContact CB-CD1 4.33Å; L1054-F1137 HydrophobicContact CB-CE1 3.66Å; L1054-F1137 HydrophobicContact CB-CZ 4.41Å; H1055-F1137 WeakPolarHBondContact O-CD1 3.41Å; H1055-F1137 WeakPolarHBondContact O-CE1 3.17Å; H1056-F1137 HydrophobicContact CB-CD1 4.43Å; H1056-F1137 HydrophobicContact CB-CE1 3.95Å; H1056-F1137 HydrophobicContact CB-CE2 4.2Å; H1056-F1137 HydrophobicContact CB-CZ 3.85Å; L1059-F1137 HydrophobicContact CD1-CZ 4.13Å; L1119-F1137 HydrophobicContact CD1-CB 4.14Å; L1119-F1137 HydrophobicContact CD1-CD1 3.82Å; L1119-F1137 HydrophobicContact CD1-CD2 3.43Å; L1119-F1137 VanDerWaalsContact CD1-CD2 3.43Å; L1119-F1137 HydrophobicContact CD1-CE1 4.02Å; L1119-F1137 HydrophobicContact CD1-CE2 3.62Å; L1119-F1137 HydrophobicContact CD1-CG 3.52Å; L1119-F1137 HydrophobicContact CD1-CZ 3.91Å; L1119-F1137 HydrophobicContact CD2-CB 4.3Å; L1119-F1137 HydrophobicContact CD2-CG 4.46Å; L1119-F1137 HydrophobicContact CG-CB 4.02Å; L1119-F1137 HydrophobicContact CG-CD2 4.04Å; L1119-F1137 HydrophobicContact CG-CG 3.97Å; L1122-F1137 HydrophobicContact CB-CE2 4.22Å; H1123-F1137 HydrophobicContact CB-CB 4.41Å; H1123-F1137 HydrophobicContact CB-CD2 4.05Å; S1135-F1137 VanDerWaalsContact OG-CB 3.29Å; S1135-F1137 WeakPolarHBondContact OG-CB 3.36Å; S1135-F1137 WeakPolarHBondContact OG-CG 3.48Å; S1135-F1137 PolarHBondContact OG-N 3.1Å; F1137-S1139 PolarHBondContact O-N 2.86Å; F1137-V1140 PolarHBondContact O-N 2.97Å; F1137-I1141 HydrophobicContact CB-CD1 4.47Å; F1137-I1141 WeakPolarHBondContact O-CB 3.31Å; F1137-I1141 WeakPolarHBondContact O-CD1 3.47Å; F1137-I1141 WeakPolarHBondContact O-CG1 3.36Å; F1137-I1141 PolarHBondContact O-N 2.76Å
1138	Q	88.5	Confident	83.6	Confident	120 Å²	120	56.8 Å²	56.8	56%	0.561	31%	0.31	S	S	*	.	H	α-helix	trans	-64	-41.8	-178.7	-68.6	-179.6	-28.9	0	0	112.6	H1123 N1136 I1141 K1142	H1123-Q1138 PolarHBondContact NE2-NE2 3.26Å; N1136-Q1138 VanDerWaalsContact C-N 3.33Å; N1136-Q1138 PolarHBondContact O-N 3.03Å; Q1138-I1141 PolarHBondContact O-N 2.94Å; Q1138-K1142 WeakPolarHBondContact O-CB 3.46Å; Q1138-K1142 PolarHBondContact O-N 3.44Å
1139	S	88.3	Confident	84	Confident	31 Å²	31	55 Å²	55	22%	0.217	31%	0.305	C	S	.	.	H	α-helix	trans	-61.9	-46.4	176.7	-176.3	0	0	0	0	110.7	S924 N1136 F1137 K1142 E1143	S924-S1139 WeakPolarHBondContact CB-OG 3.47Å; N1136-S1139 PolarHBondContact O-N 3.1Å; F1137-S1139 PolarHBondContact O-N 2.86Å; S1139-K1142 PolarHBondContact O-N 3.33Å; S1139-E1143 PolarHBondContact O-N 3.46Å; S1139-E1143 VanDerWaalsContact O-N 3.15Å
1140	V	90.8	Very high	84.5	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.006	28%	0.278	C	S	.	.	H	α-helix	trans	-61.2	-46.4	175.7	172.4	0	0	0	0	111.6	W931 L1054 F1115 L1119 N1136 F1137 K1142 E1143 M1144	W931-V1140 HydrophobicContact CB-CG2 4.22Å; W931-V1140 HydrophobicContact CD2-CB 4.34Å; W931-V1140 HydrophobicContact CD2-CG1 3.85Å; W931-V1140 HydrophobicContact CD2-CG2 3.63Å; W931-V1140 HydrophobicContact CE3-CG1 3.7Å; W931-V1140 HydrophobicContact CE3-CG2 3.98Å; W931-V1140 HydrophobicContact CG-CG2 3.71Å; W931-V1140 HydrophobicContact CH2-CG1 3.51Å; W931-V1140 HydrophobicContact CZ2-CG1 3.63Å; W931-V1140 HydrophobicContact CZ3-CG1 3.55Å; L1054-V1140 HydrophobicContact CD2-CG1 4.47Å; L1054-V1140 HydrophobicContact CD2-CG2 4.34Å; F1115-V1140 HydrophobicContact CE1-CG1 4.31Å; L1119-V1140 HydrophobicContact CD2-CB 3.84Å; L1119-V1140 HydrophobicContact CD2-CG1 3.48Å; L1119-V1140 VanDerWaalsContact CD2-CG1 3.48Å; N1136-V1140 WeakPolarHBondContact O-CG2 3.28Å; N1136-V1140 PolarHBondContact O-N 3.33Å; N1136-V1140 VanDerWaalsContact O-N 3.13Å; F1137-V1140 PolarHBondContact O-N 2.97Å; V1140-K1142 VanDerWaalsContact C-N 3.33Å; V1140-K1142 PolarHBondContact O-N 3.31Å; V1140-E1143 PolarHBondContact O-N 3.39Å; V1140-M1144 HydrophobicContact CG1-CG 4.32Å; V1140-M1144 HydrophobicContact CG1-SD 4.01Å; V1140-M1144 WeakPolarHBondContact O-CB 3.42Å; V1140-M1144 VanDerWaalsContact O-CG 3.23Å; V1140-M1144 WeakPolarHBondContact O-CG 3.32Å; V1140-M1144 PolarHBondContact O-N 3.21Å
1141	I	90.4	Very high	84.8	Confident	17 Å²	17	47.3 Å²	47.3	9%	0.087	26%	0.255	C	S	.	.	H	α-helix	trans	-58.2	-46.4	179.1	-71.3	160.1	0	0	0	110.8	L1119 K1120 H1123 F1137 Q1138 M1144 E1145	L1119-I1141 HydrophobicContact CB-CD1 4.35Å; L1119-I1141 HydrophobicContact CB-CG1 4.06Å; L1119-I1141 HydrophobicContact CD2-CD1 4.48Å; L1119-I1141 HydrophobicContact CD2-CG1 3.89Å; L1119-I1141 HydrophobicContact CG-CD1 4.12Å; L1119-I1141 HydrophobicContact CG-CG1 3.97Å; K1120-I1141 HydrophobicContact CB-CD1 4.39Å; K1120-I1141 HydrophobicContact CD-CG2 4.2Å; K1120-I1141 VanDerWaalsContact CE-CG2 3.4Å; K1120-I1141 HydrophobicContact CG-CD1 3.78Å; K1120-I1141 HydrophobicContact CG-CG1 4.03Å; K1120-I1141 HydrophobicContact CG-CG2 3.73Å; H1123-I1141 HydrophobicContact CB-CD1 4.41Å; F1137-I1141 HydrophobicContact CB-CD1 4.47Å; F1137-I1141 WeakPolarHBondContact O-CB 3.31Å; F1137-I1141 WeakPolarHBondContact O-CD1 3.47Å; F1137-I1141 WeakPolarHBondContact O-CG1 3.36Å; F1137-I1141 PolarHBondContact O-N 2.76Å; Q1138-I1141 PolarHBondContact O-N 2.94Å; I1141-M1144 PolarHBondContact O-N 3.37Å; I1141-E1145 WeakPolarHBondContact O-CG 3.35Å; I1141-E1145 PolarHBondContact O-N 3.02Å
1142	K	89.4	Confident	85.2	Confident	108 Å²	108	49 Å²	49	47%	0.47	26%	0.264	S	S	.	.	H	α-helix	trans	-60.7	-46.5	-179	178.8	-176.4	173.6	-171.1	0	111.7	Q1138 S1139 V1140 E1145 Q1146	Q1138-K1142 WeakPolarHBondContact O-CB 3.46Å; Q1138-K1142 PolarHBondContact O-N 3.44Å; S1139-K1142 PolarHBondContact O-N 3.33Å; V1140-K1142 VanDerWaalsContact C-N 3.33Å; V1140-K1142 PolarHBondContact O-N 3.31Å; K1142-E1145 PolarHBondContact O-N 3.33Å; K1142-Q1146 WeakPolarHBondContact O-CG 3.36Å; K1142-Q1146 PolarHBondContact O-N 3.31Å; K1142-Q1146 VanDerWaalsContact O-N 3.07Å
1143	E	86.1	Confident	85.3	Confident	19 Å²	19	50.7 Å²	50.7	9%	0.089	27%	0.266	C	S	.	.	H	α-helix	trans	-63.9	-42.8	177.2	-177.3	-163.6	154.1	0	0	111.6	H923 S924 W931 S1139 V1140 E1145 Q1146 I1147	H923-E1143 PolarHBondContact N-OE1 3.15Å; S924-E1143 WeakPolarHBondContact CA-OE2 3.44Å; S924-E1143 PolarHBondContact N-OE2 3.4Å; W931-E1143 VanDerWaalsContact NE1-CD 3.29Å; W931-E1143 PolarHBondContact NE1-OE1 2.8Å; W931-E1143 PolarHBondContact NE1-OE2 3.32Å; S1139-E1143 PolarHBondContact O-N 3.46Å; S1139-E1143 VanDerWaalsContact O-N 3.15Å; V1140-E1143 PolarHBondContact O-N 3.39Å; E1143-E1145 VanDerWaalsContact C-N 3.28Å; E1143-E1145 PolarHBondContact O-N 2.97Å; E1143-Q1146 WeakPolarHBondContact O-CA 3.35Å; E1143-Q1146 WeakPolarHBondContact O-CB 3.42Å; E1143-Q1146 PolarHBondContact O-N 3.37Å; E1143-I1147 HydrophobicContact CG-CD1 4.05Å; E1143-I1147 HydrophobicContact CG-CG1 4.48Å; E1143-I1147 WeakPolarHBondContact O-CG1 3.34Å; E1143-I1147 PolarHBondContact O-N 3.25Å
1144	M	86.3	Confident	85.2	Confident	2 Å²	2	49.8 Å²	49.8	1%	0.01	25%	0.253	C	S	.	.	H	α-helix	trans	-60.7	-38.5	177	-73	-175	81.8	0	0	112.6	W931 L1112 F1115 V1140 I1141 Q1146 L1148	W931-M1144 HydrophobicContact CH2-CG 4.02Å; W931-M1144 HydrophobicContact CH2-SD 4.01Å; W931-M1144 HydrophobicContact CZ2-CG 4.03Å; L1112-M1144 HydrophobicContact CB-CE 4.28Å; L1112-M1144 HydrophobicContact CD2-CE 3.92Å; L1112-M1144 WeakPolarHBondContact O-CE 3.41Å; F1115-M1144 HydrophobicContact CB-CE 3.7Å; F1115-M1144 HydrophobicContact CD1-CE 3.56Å; F1115-M1144 HydrophobicContact CD1-SD 3.43Å; F1115-M1144 WeakPolarHBondContact CD1-SD 3.33Å; F1115-M1144 HydrophobicContact CE1-SD 3.98Å; F1115-M1144 HydrophobicContact CG-CE 3.95Å; F1115-M1144 HydrophobicContact CG-SD 4.4Å; V1140-M1144 HydrophobicContact CG1-CG 4.32Å; V1140-M1144 HydrophobicContact CG1-SD 4.01Å; V1140-M1144 WeakPolarHBondContact O-CB 3.42Å; V1140-M1144 VanDerWaalsContact O-CG 3.23Å; V1140-M1144 WeakPolarHBondContact O-CG 3.32Å; V1140-M1144 PolarHBondContact O-N 3.21Å; I1141-M1144 PolarHBondContact O-N 3.37Å; M1144-Q1146 VanDerWaalsContact C-N 3.34Å; M1144-L1148 VanDerWaalsContact O-CB 3.31Å; M1144-L1148 WeakPolarHBondContact O-CB 3.12Å; M1144-L1148 VanDerWaalsContact O-CG 3.24Å; M1144-L1148 WeakPolarHBondContact O-CG 3.45Å; M1144-L1148 PolarHBondContact O-N 3.23Å
1145	E	88	Confident	84.5	Confident	97 Å²	97	45.5 Å²	45.5	45%	0.453	24%	0.235	S	C	.	.	H	α-helix	trans	-64.5	-38.6	173.4	-71.8	175.9	155	0	0	112	K1120 I1141 K1142 E1143 G1149	K1120-E1145 WeakPolarHBondContact CE-OE1 3.45Å; K1120-E1145 IonicContact NZ-OE1 3.37Å; K1120-E1145 PolarHBondContact NZ-OE1 3Å; I1141-E1145 WeakPolarHBondContact O-CG 3.35Å; I1141-E1145 PolarHBondContact O-N 3.02Å; K1142-E1145 PolarHBondContact O-N 3.33Å; E1143-E1145 VanDerWaalsContact C-N 3.28Å; E1143-E1145 PolarHBondContact O-N 2.97Å; E1145-G1149 PolarHBondContact O-N 3.5Å
1146	Q	85.8	Confident	83.7	Confident	112 Å²	112	48 Å²	48	52%	0.523	25%	0.245	S	C	.	.	H	α-helix	trans	-63.7	-48.9	174.9	-70.7	173	-21	0	0	111.4	K1142 E1143 M1144 L1148 G1149 Q1150	K1142-Q1146 WeakPolarHBondContact O-CG 3.36Å; K1142-Q1146 PolarHBondContact O-N 3.31Å; K1142-Q1146 VanDerWaalsContact O-N 3.07Å; E1143-Q1146 WeakPolarHBondContact O-CA 3.35Å; E1143-Q1146 WeakPolarHBondContact O-CB 3.42Å; E1143-Q1146 PolarHBondContact O-N 3.37Å; M1144-Q1146 VanDerWaalsContact C-N 3.34Å; Q1146-L1148 PolarHBondContact O-N 3.5Å; Q1146-G1149 PolarHBondContact O-N 3.46Å; Q1146-Q1150 WeakPolarHBondContact O-CG 3.13Å; Q1146-Q1150 PolarHBondContact O-N 2.93Å
1147	I	85.3	Confident	82.4	Confident	17 Å²	17	50.9 Å²	50.9	9%	0.087	26%	0.257	C	S	.	.	H	α-helix	trans	-58.6	-50.6	177.2	-65.1	169.5	0	0	0	109.3	L922 L1112 E1143 G1149 Q1150 I1151	L922-I1147 HydrophobicContact CD2-CD1 3.82Å; L1112-I1147 HydrophobicContact CD1-CG2 4.01Å; E1143-I1147 HydrophobicContact CG-CD1 4.05Å; E1143-I1147 HydrophobicContact CG-CG1 4.48Å; E1143-I1147 WeakPolarHBondContact O-CG1 3.34Å; E1143-I1147 PolarHBondContact O-N 3.25Å; I1147-G1149 VanDerWaalsContact C-N 3.29Å; I1147-G1149 PolarHBondContact O-N 3.03Å; I1147-Q1150 WeakPolarHBondContact O-CB 3.23Å; I1147-Q1150 PolarHBondContact O-N 2.82Å; I1147-Q1150 VanDerWaalsContact O-N 3.12Å; I1147-I1151 HydrophobicContact CG2-CD1 4.24Å; I1147-I1151 HydrophobicContact CG2-CG1 4.2Å; I1147-I1151 WeakPolarHBondContact O-CG1 3.37Å; I1147-I1151 PolarHBondContact O-N 3.19Å
1148	L	85.6	Confident	80.8	Confident	22 Å²	22	54 Å²	54	12%	0.115	27%	0.272	C	S	.	.	H	α-helix	trans	-59.9	-37.5	178.3	-75.3	172.2	0	0	0	112.9	E1109 L1112 K1113 M1144 Q1146 I1151 I1152	E1109-L1148 HydrophobicContact CG-CD2 3.98Å; L1112-L1148 HydrophobicContact CB-CD1 4.49Å; L1112-L1148 HydrophobicContact CB-CD2 3.75Å; L1112-L1148 HydrophobicContact CB-CG 4.19Å; L1112-L1148 HydrophobicContact CD1-CD2 4.35Å; K1113-L1148 HydrophobicContact CB-CD1 4.46Å; K1113-L1148 HydrophobicContact CG-CD1 3.7Å; K1113-L1148 HydrophobicContact CG-CD2 3.78Å; K1113-L1148 HydrophobicContact CG-CG 4.4Å; M1144-L1148 VanDerWaalsContact O-CB 3.31Å; M1144-L1148 WeakPolarHBondContact O-CB 3.12Å; M1144-L1148 VanDerWaalsContact O-CG 3.24Å; M1144-L1148 WeakPolarHBondContact O-CG 3.45Å; M1144-L1148 PolarHBondContact O-N 3.23Å; Q1146-L1148 PolarHBondContact O-N 3.5Å; L1148-I1151 PolarHBondContact O-N 3.38Å; L1148-I1152 WeakPolarHBondContact O-CD1 3.45Å; L1148-I1152 VanDerWaalsContact O-CG1 3.23Å; L1148-I1152 WeakPolarHBondContact O-CG1 3.47Å; L1148-I1152 PolarHBondContact O-N 3.4Å
1149	G	83.8	Confident	79.4	Confident	29 Å²	29	55.2 Å²	55.2	30%	0.299	28%	0.275	S	S	.	.	H	α-helix	trans	-57.8	-50	172.4	0	0	0	0	0	111.6	E1145 Q1146 I1147 I1151 I1152 E1153	E1145-G1149 PolarHBondContact O-N 3.5Å; Q1146-G1149 PolarHBondContact O-N 3.46Å; I1147-G1149 VanDerWaalsContact C-N 3.29Å; I1147-G1149 PolarHBondContact O-N 3.03Å; G1149-I1151 PolarHBondContact O-N 3.14Å; G1149-I1152 PolarHBondContact O-N 3.11Å; G1149-E1153 WeakPolarHBondContact O-CG 3.39Å; G1149-E1153 PolarHBondContact O-N 3.09Å
1150	Q	80.5	Confident	77.8	Confident	56 Å²	56	59.1 Å²	59.1	26%	0.262	29%	0.29	S	S	.	.	H	α-helix	trans	-61.4	-40.6	176.4	-67.9	175.9	-11.6	0	0	112.3	Q1146 I1147 I1152 E1153 N1154	Q1146-Q1150 WeakPolarHBondContact O-CG 3.13Å; Q1146-Q1150 PolarHBondContact O-N 2.93Å; I1147-Q1150 WeakPolarHBondContact O-CB 3.23Å; I1147-Q1150 PolarHBondContact O-N 2.82Å; I1147-Q1150 VanDerWaalsContact O-N 3.12Å; Q1150-I1152 VanDerWaalsContact C-N 3.29Å; Q1150-I1152 PolarHBondContact O-N 3.22Å; Q1150-E1153 PolarHBondContact O-N 3.37Å; Q1150-N1154 WeakPolarHBondContact O-CB 3.39Å; Q1150-N1154 PolarHBondContact O-N 3.47Å
1151	I	77.4	Confident	75.8	Confident	8 Å²	8	63.7 Å²	63.7	4%	0.041	31%	0.311	C	S	.	.	H	α-helix	trans	-57.9	-45	175.7	-54.5	-147	0	0	0	110.8	T729 E1109 L1112 I1147 L1148 G1149 S1155	T729-I1151 HydrophobicContact CG2-CB 3.77Å; T729-I1151 HydrophobicContact CG2-CD1 3.52Å; T729-I1151 HydrophobicContact CG2-CG1 3.38Å; T729-I1151 HydrophobicContact CG2-CG2 3.81Å; E1109-I1151 HydrophobicContact CB-CG2 4.21Å; E1109-I1151 HydrophobicContact CG-CG2 3.97Å; L1112-I1151 HydrophobicContact CD1-CD1 3.72Å; I1147-I1151 HydrophobicContact CG2-CD1 4.24Å; I1147-I1151 HydrophobicContact CG2-CG1 4.2Å; I1147-I1151 WeakPolarHBondContact O-CG1 3.37Å; I1147-I1151 PolarHBondContact O-N 3.19Å; L1148-I1151 PolarHBondContact O-N 3.38Å; G1149-I1151 PolarHBondContact O-N 3.14Å; I1151-S1155 WeakPolarHBondContact O-CB 3.44Å; I1151-S1155 PolarHBondContact O-N 3.37Å; I1151-S1155 PolarHBondContact O-OG 3.43Å
1152	I	77.9	Confident	73.9	Confident	73 Å²	73	66 Å²	66	37%	0.374	33%	0.329	S	S	.	.	H	α-helix	trans	-69.4	-45.5	-177.2	-68.4	165	0	0	0	110.5	L1148 G1149 Q1150 S1155 I1156	L1148-I1152 WeakPolarHBondContact O-CD1 3.45Å; L1148-I1152 VanDerWaalsContact O-CG1 3.23Å; L1148-I1152 WeakPolarHBondContact O-CG1 3.47Å; L1148-I1152 PolarHBondContact O-N 3.4Å; G1149-I1152 PolarHBondContact O-N 3.11Å; Q1150-I1152 VanDerWaalsContact C-N 3.29Å; Q1150-I1152 PolarHBondContact O-N 3.22Å; I1152-S1155 WeakPolarHBondContact O-CB 3.17Å; I1152-S1155 PolarHBondContact O-N 3.27Å; I1152-I1156 HydrophobicContact CG2-CD1 3.82Å; I1152-I1156 VanDerWaalsContact O-CG1 3.31Å; I1152-I1156 WeakPolarHBondContact O-CG1 3.31Å; I1152-I1156 PolarHBondContact O-N 3.4Å
1153	E	76.5	Confident	71.9	Confident	124 Å²	124	67 Å²	67	58%	0.579	34%	0.339	S	S	*	.	H	α-helix	trans	-57.4	-50.6	176.2	-75.1	175.2	-177.9	0	0	111.3	G1149 Q1150 S1155 I1156 E1157	G1149-E1153 WeakPolarHBondContact O-CG 3.39Å; G1149-E1153 PolarHBondContact O-N 3.09Å; Q1150-E1153 PolarHBondContact O-N 3.37Å; E1153-S1155 VanDerWaalsContact C-N 3.26Å; E1153-S1155 PolarHBondContact O-N 2.99Å; E1153-I1156 WeakPolarHBondContact O-CB 3.32Å; E1153-I1156 PolarHBondContact O-N 3.13Å; E1153-E1157 PolarHBondContact O-N 3.33Å
1154	N	74.2	Confident	70	Confident	14 Å²	14	73.2 Å²	73.2	8%	0.075	37%	0.373	C	S	.	.	H	α-helix	trans	-60.4	-35.3	177.5	-77.9	-14	0	0	0	112.7	T725 S726 T729 Q1150 Q1158	T725-N1154 PolarHBondContact O-ND2 2.98Å; T725-N1154 PolarHBondContact O-OD1 3.48Å; S726-N1154 PolarHBondContact O-ND2 3.12Å; S726-N1154 PolarHBondContact OG-ND2 2.94Å; T729-N1154 VanDerWaalsContact OG1-CB 3.25Å; T729-N1154 WeakPolarHBondContact OG1-CB 3.47Å; T729-N1154 PolarHBondContact OG1-ND2 3.3Å; Q1150-N1154 WeakPolarHBondContact O-CB 3.39Å; Q1150-N1154 PolarHBondContact O-N 3.47Å; N1154-Q1158 VanDerWaalsContact O-CG 3.28Å; N1154-Q1158 WeakPolarHBondContact O-CG 3.17Å; N1154-Q1158 PolarHBondContact O-N 3.41Å; N1154-Q1158 VanDerWaalsContact O-N 3.11Å
1155	S	70.8	Confident	67.6	Low	41 Å²	41	81.7 Å²	81.7	29%	0.287	41%	0.413	S	S	.	.	H	α-helix	trans	-70.4	-33.5	176.2	-60.4	0	0	0	0	112.6	I1151 I1152 E1153 K1159	I1151-S1155 WeakPolarHBondContact O-CB 3.44Å; I1151-S1155 PolarHBondContact O-N 3.37Å; I1151-S1155 PolarHBondContact O-OG 3.43Å; I1152-S1155 WeakPolarHBondContact O-CB 3.17Å; I1152-S1155 PolarHBondContact O-N 3.27Å; E1153-S1155 VanDerWaalsContact C-N 3.26Å; E1153-S1155 PolarHBondContact O-N 2.99Å; S1155-K1159 WeakPolarHBondContact O-CG 3.44Å; S1155-K1159 PolarHBondContact O-N 3.01Å
1156	I	70	Confident	66.6	Low	84 Å²	84	81 Å²	81	43%	0.431	41%	0.411	S	S	.	.	H	α-helix	trans	-70.9	-45	175.8	-69.6	164.8	0	0	0	110	I1152 E1153 Q1158 K1159 H1160	I1152-I1156 HydrophobicContact CG2-CD1 3.82Å; I1152-I1156 VanDerWaalsContact O-CG1 3.31Å; I1152-I1156 WeakPolarHBondContact O-CG1 3.31Å; I1152-I1156 PolarHBondContact O-N 3.4Å; E1153-I1156 WeakPolarHBondContact O-CB 3.32Å; E1153-I1156 PolarHBondContact O-N 3.13Å; I1156-Q1158 VanDerWaalsContact C-N 3.32Å; I1156-Q1158 PolarHBondContact O-N 3.27Å; I1156-K1159 PolarHBondContact O-N 2.78Å; I1156-K1159 VanDerWaalsContact O-N 3.15Å; I1156-H1160 PolarHBondContact O-CD2 3.1Å; I1156-H1160 VanDerWaalsContact O-CD2 3.23Å; I1156-H1160 PolarHBondContact O-N 2.84Å
1157	E	63	Low	65.6	Low	93 Å²	93	79.3 Å²	79.3	44%	0.435	41%	0.405	S	S	.	.	H	α-helix	trans	-59.9	-40.9	176.6	-72	-173.2	171.1	0	0	112.5	E1153 H1160 H1161	E1153-E1157 PolarHBondContact O-N 3.33Å; E1157-H1160 PolarHBondContact O-N 2.82Å; E1157-H1161 PolarHBondContact O-N 3.05Å; E1157-H1161 PolarHBondContact O-ND1 3.21Å
1158	Q	57.6	Low	64.5	Low	67 Å²	67	82.8 Å²	82.8	31%	0.313	42%	0.422	S	S	.	.	H	α-helix	trans	-62	-41.6	174.6	-76.3	173.8	28.7	0	0	112.3	T729 N1154 I1156 H1161 S1162	T729-Q1158 PolarHBondContact O-NE2 3.21Å; N1154-Q1158 VanDerWaalsContact O-CG 3.28Å; N1154-Q1158 WeakPolarHBondContact O-CG 3.17Å; N1154-Q1158 PolarHBondContact O-N 3.41Å; N1154-Q1158 VanDerWaalsContact O-N 3.11Å; I1156-Q1158 VanDerWaalsContact C-N 3.32Å; I1156-Q1158 PolarHBondContact O-N 3.27Å; Q1158-H1161 PolarHBondContact O-N 3.31Å; Q1158-S1162 PolarHBondContact O-N 2.95Å; Q1158-S1162 PolarHBondContact O-OG 3.37Å
1159	K	58.8	Low	63.3	Low	144 Å²	144	86.4 Å²	86.4	63%	0.626	44%	0.44	S	S	*	.	H	α-helix	trans	-67.3	-36.7	176.9	-75.9	178.5	-178.4	177.1	0	112.6	S1155 I1156 S1162 N1163	S1155-K1159 WeakPolarHBondContact O-CG 3.44Å; S1155-K1159 PolarHBondContact O-N 3.01Å; I1156-K1159 PolarHBondContact O-N 2.78Å; I1156-K1159 VanDerWaalsContact O-N 3.15Å; K1159-S1162 WeakPolarHBondContact CA-OG 3.47Å; K1159-S1162 PolarHBondContact O-N 3.35Å; K1159-S1162 PolarHBondContact O-OG 3.34Å; K1159-N1163 WeakPolarHBondContact O-CB 3.48Å; K1159-N1163 PolarHBondContact O-N 2.75Å; K1159-N1163 VanDerWaalsContact O-N 3.09Å
1160	H	55.1	Low	62	Low	114 Å²	114	89.9 Å²	89.9	53%	0.528	45%	0.449	S	S	.	.	H	α-helix	trans	-66.3	-40.6	174.7	-81.6	-67.9	0	0	0	112	I1156 E1157 N1163 N1164	I1156-H1160 PolarHBondContact O-CD2 3.1Å; I1156-H1160 VanDerWaalsContact O-CD2 3.23Å; I1156-H1160 PolarHBondContact O-N 2.84Å; E1157-H1160 PolarHBondContact O-N 2.82Å; H1160-N1163 PolarHBondContact O-N 2.76Å; H1160-N1164 PolarHBondContact O-N 3.47Å
1161	H	49.2	Very low	60.7	Low	97 Å²	97	92.2 Å²	92.2	45%	0.449	46%	0.462	S	S	.	.	H	α-helix	trans	-64.2	-43.7	174.1	-87.7	68.6	0	0	0	111.9	E1157 Q1158 N1163 N1164 E1165	E1157-H1161 PolarHBondContact O-N 3.05Å; E1157-H1161 PolarHBondContact O-ND1 3.21Å; Q1158-H1161 PolarHBondContact O-N 3.31Å; H1161-N1163 VanDerWaalsContact C-N 3.27Å; H1161-N1163 PolarHBondContact O-N 3.25Å; H1161-N1164 PolarHBondContact O-N 2.97Å; H1161-E1165 PolarHBondContact O-N 3.03Å
1162	S	50.6	Low	59.6	Low	65 Å²	65	98.2 Å²	98.2	46%	0.455	49%	0.492	S	S	.	.	H	α-helix	trans	-70.4	-18	179	62.8	0	0	0	0	114.9	Q1158 K1159	Q1158-S1162 PolarHBondContact O-N 2.95Å; Q1158-S1162 PolarHBondContact O-OG 3.37Å; K1159-S1162 WeakPolarHBondContact CA-OG 3.47Å; K1159-S1162 PolarHBondContact O-N 3.35Å; K1159-S1162 PolarHBondContact O-OG 3.34Å
1163	N	48.1	Very low	58.2	Low	130 Å²	130	100.2 Å²	100.2	70%	0.695	50%	0.501	S	S	*	.	H	α-helix	trans	-88.5	-17.5	174.1	-79.7	-7.2	0	0	0	112.6	K1159 H1160 H1161	K1159-N1163 WeakPolarHBondContact O-CB 3.48Å; K1159-N1163 PolarHBondContact O-N 2.75Å; K1159-N1163 VanDerWaalsContact O-N 3.09Å; H1160-N1163 PolarHBondContact O-N 2.76Å; H1161-N1163 VanDerWaalsContact C-N 3.27Å; H1161-N1163 PolarHBondContact O-N 3.25Å
1164	N	45.8	Very low	56.6	Low	148 Å²	148	98.2 Å²	98.2	79%	0.791	49%	0.494	S	S	*	.	H	α-helix	trans	-93.3	-25.4	176.2	-78.1	-14.5	0	0	0	112.5	H1160 H1161	H1160-N1164 PolarHBondContact O-N 3.47Å; H1161-N1164 PolarHBondContact O-N 2.97Å
1165	E	36.2	Very low	55	Low	181 Å²	181	105.8 Å²	105.8	85%	0.846	53%	0.532	S	S	*	.			trans	-74.2	0	161.7	-73.1	179.5	179.8	0	0	110.4	R732 H1161	R732-E1165 IonicContact NH2-OE1 3.52Å; R732-E1165 PolarHBondContact NH2-OE1 3.22Å; R732-E1165 VanDerWaalsContact NH2-OE1 3.13Å; H1161-E1165 PolarHBondContact O-N 3.03Å

Retrieved 1,165 of 1,165 residues in 1834.3 ms (Link to these results)

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