A0A5K4FA43_SCHMA Loading...

Actin-binding LIM protein 1

AlphaFold DB (A0A5K4F807), UniProt , Accession A0A5K4FA43, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 928 aa.

						>A0A5K4FA43_SCHMA|A0A5K4FA43
MGKIYCDKCRRKCRGDVLKVSNKYFHKDCFKCTECNKSLEHGGFFVKDGGFYCQDDYRRYFVAKCKICSEDLTGEVVTALNFSFHRGCFKCNKCSITFRPGDRVTVWQEKFYCPHCINQVCCSATVGSVPSKNLLQTPLSVTDDEGCVSASDMASSQYIHEQPIEMNQPQNDFSCIPSAGLPQKSKSILRKPVTEQNGLHVSKERGYLSTDSGLGDRLCESANLDDSNYRDLYDGSSGQDKTNLRQEKSHTLSFHLSRHSLCGRVPSSNYGRYLNQSYMQLNNQIPIPNNDRYKRNLSTTTLNTSSQPRQFHLPDGGKSRFLPPGTKFYATLFGRSASSAISPLYNNNNTSTPRSTNTASTGTNNFHPDIITSRSLNKPFALSAFNLHDKLKTDKLSLSTTTSTKKIARILSDTTDDNNNYNDNINSEHTSQLTSKSHRTYMDDISQSGPILLNDRNITVETRKLACLPAGQERDKSTPRPIERYDWPAPPASGVVLAELMRERRQRRREQARLSGTQFSGDIDDLESQEALSIDYSFDGIPDTIDHSVEHIGIGQAILREEAESKRRSRSQTYLDPVSASRTPNASVEPSFKPRYATHQFASASRHRSSSPARYKHPIGYSMEFIHLGNRNWTLGRSQTLTNRGTISPGTTTVTMNIPTDHHHHHQNNASRYNTNPPTLTLGSSIKPGYTGGQLSCNNQLKSKTLSMNYSTSSLSVGNGGIRQQSTNRISSNKSKGVTLNGYSHLSHQLDVNGTKLLNGNLQLSKSDNTQSNTSDSVRIYSPTSDHRNLSMHTASTLHEVKHSSTTTSILNGHSSQYLQQHNLMDSINGKDFDADRRLIGSSPSHPTIQLSSSPSAISHKKPSLPQLIPYEKLKEYRGIYPKGIDRTAVETHLSDEEFQQVFALSRTAFYRLPEWKRNDLKRRAQLF
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	52.2	Low	84.1	Confident	241 Å²	241	114.2 Å²	114.2	100%	1.187	54%	0.542	S	S	*	.				0	119.8	0	-66.2	-51.8	-173	0	0	109.7
2	G	72.7	Confident	84.6	Confident	70 Å²	70	114.6 Å²	114.6	72%	0.722	54%	0.54	S	S	*	.			trans	-70.5	147.3	174.3	0	0	0	0	0	111.7	I4	G2-I4 PolarHBondContact O-N 3.29Å
3	K	80.3	Confident	84.9	Confident	154 Å²	154	106.5 Å²	106.5	67%	0.67	50%	0.504	S	S	*	.			trans	-74.4	111.6	172.4	-65.5	175	-173.1	172.4	0	108.1	Y5	K3-Y5 HydrophobicContact CB-CD2 4.34Å; K3-Y5 HydrophobicContact CB-CE2 3.48Å; K3-Y5 VanDerWaalsContact CB-CE2 3.48Å; K3-Y5 WeakPolarHBondContact CD-OH 3.08Å; K3-Y5 WeakPolarHBondContact O-CD2 3.47Å; K3-Y5 VanDerWaalsContact O-CE2 3.29Å; K3-Y5 WeakPolarHBondContact O-CE2 3.48Å
4	I	88.1	Confident	84.8	Confident	62 Å²	62	114.5 Å²	114.5	32%	0.318	53%	0.526	S	S	.	.			trans	-81.9	133.9	177.2	-60.6	175.3	0	0	0	109.4	G2 K12 C13 V17 Y24	G2-I4 PolarHBondContact O-N 3.29Å; I4-K12 WeakPolarHBondContact O-CA 3.41Å; I4-K12 WeakPolarHBondContact O-CG 3.27Å; I4-C13 HydrophobicContact CG2-CB 4.13Å; I4-C13 PolarHBondContact O-N 2.99Å; I4-V17 HydrophobicContact CG2-CG1 4.09Å; I4-Y24 HydrophobicContact CD1-CD1 4.35Å; I4-Y24 HydrophobicContact CD1-CE1 4.02Å; I4-Y24 HydrophobicContact CG2-CD1 3.62Å; I4-Y24 HydrophobicContact CG2-CD2 3.97Å; I4-Y24 HydrophobicContact CG2-CE1 4.25Å; I4-Y24 HydrophobicContact CG2-CG 3.45Å; I4-Y24 VanDerWaalsContact CG2-CG 3.45Å
5	Y	91.5	Very high	84.8	Confident	117 Å²	117	111.7 Å²	111.7	46%	0.459	54%	0.541	S	S	.	.	B	Isolated β-bridge	trans	-125.9	142.5	178.7	-64.3	-92.7	0	0	0	110.2	K3 D7 R11 K12	K3-Y5 HydrophobicContact CB-CD2 4.34Å; K3-Y5 HydrophobicContact CB-CE2 3.48Å; K3-Y5 VanDerWaalsContact CB-CE2 3.48Å; K3-Y5 WeakPolarHBondContact CD-OH 3.08Å; K3-Y5 WeakPolarHBondContact O-CD2 3.47Å; K3-Y5 VanDerWaalsContact O-CE2 3.29Å; K3-Y5 WeakPolarHBondContact O-CE2 3.48Å; Y5-D7 PolarHBondContact O-N 3.48Å; Y5-R11 WeakPolarHBondContact CA-O 3.24Å; Y5-K12 HydrophobicContact CD1-CB 4.06Å; Y5-K12 HydrophobicContact CE1-CB 3.95Å
6	C	92.6	Very high	84.8	Confident	1 Å²	1	111.6 Å²	111.6	1%	0.007	54%	0.544	C	S	.	.			trans	-73.7	122.5	176.2	174.6	0	0	0	0	110.1	K8 C9 R10 R11 C13 Y24 H26 C29	C6-K8 VanDerWaalsContact C-N 3.26Å; C6-K8 PolarHBondContact O-N 2.98Å; C6-C9 VanDerWaalsContact CB-SG 3.59Å; C6-R10 WeakPolarHBondContact O-CA 3.35Å; C6-R10 PolarHBondContact O-N 3.11Å; C6-R11 PolarHBondContact N-O 2.79Å; C6-C13 PolarHBondContact N-SG 3.09Å; C6-C13 VanDerWaalsContact N-SG 3.39Å; C6-Y24 CarbonylContact C-O 3.53Å; C6-Y24 VanDerWaalsContact CA-O 3.3Å; C6-Y24 WeakPolarHBondContact CA-O 3.36Å; C6-H26 WeakPolarHBondContact CB-CE1 3.41Å; C6-H26 WeakPolarHBondContact CB-ND1 3.17Å; C6-H26 VanDerWaalsContact CB-NE2 3.29Å; C6-H26 WeakPolarHBondContact CB-NE2 3.39Å; C6-H26 PolarHBondContact SG-CE1 2.99Å; C6-C29 VanDerWaalsContact SG-SG 3.64Å
7	D	88.1	Confident	85	Confident	71 Å²	71	107.6 Å²	107.6	38%	0.38	53%	0.528	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-32.4	-177	-171.7	81.8	0	0	0	112.5	Y5 K23 Y24 F25	Y5-D7 PolarHBondContact O-N 3.48Å; D7-K23 HydrophobicContact CB-CB 4.15Å; D7-K23 HydrophobicContact CB-CD 4.49Å; D7-K23 HydrophobicContact CB-CG 4.24Å; D7-K23 IonicContact OD1-NZ 2.78Å; D7-K23 PolarHBondContact OD1-NZ 3.12Å; D7-K23 WeakPolarHBondContact OD2-CD 3.5Å; D7-K23 IonicContact OD2-NZ 3.16Å; D7-K23 PolarHBondContact OD2-NZ 3.15Å; D7-Y24 PolarHBondContact N-O 3.39Å; D7-F25 HydrophobicContact CB-CD1 4.39Å; D7-F25 HydrophobicContact CB-CE1 3.7Å; D7-F25 HydrophobicContact CB-CZ 3.83Å
8	K	88.1	Confident	85.2	Confident	97 Å²	97	103.7 Å²	103.7	42%	0.422	51%	0.509	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-41.6	-179	-163	173.8	-167.7	163.7	0	114.3	C6 F25 C29 K31	C6-K8 VanDerWaalsContact C-N 3.26Å; C6-K8 PolarHBondContact O-N 2.98Å; K8-F25 HydrophobicContact CB-CD1 3.97Å; K8-F25 HydrophobicContact CB-CE1 4.01Å; K8-C29 HydrophobicContact CB-CB 4.3Å; K8-C29 HydrophobicContact CD-CB 4.3Å; K8-C29 WeakPolarHBondContact CD-O 3.48Å; K8-C29 PolarHBondContact NZ-O 3.15Å; K8-K31 PolarHBondContact NZ-O 3.39Å
9	C	91.3	Very high	85.4	Confident	43 Å²	43	105.2 Å²	105.2	29%	0.291	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113	-1.8	-175.7	75.1	0	0	0	0	114.6	C6 R11 H26	C6-C9 VanDerWaalsContact CB-SG 3.59Å; C9-R11 PolarHBondContact O-N 3.09Å; C9-H26 PolarHBondContact SG-CE1 3.02Å; C9-H26 PolarHBondContact SG-ND1 3.23Å; C9-H26 VanDerWaalsContact SG-ND1 3.45Å; C9-H26 PolarHBondContact SG-NE2 2.91Å
10	R	89.6	Confident	85.4	Confident	215 Å²	215	100.5 Å²	100.5	81%	0.811	49%	0.49	S	S	*	.			trans	58.4	1.7	178.2	-54.3	-173	-177.5	-149.9	0.9	116.5	C6	C6-R10 WeakPolarHBondContact O-CA 3.35Å; C6-R10 PolarHBondContact O-N 3.11Å
11	R	90.3	Very high	85.3	Confident	185 Å²	185	100.4 Å²	100.4	70%	0.698	50%	0.5	S	S	*	.	P	Polyproline II helix	trans	-73.5	149	172.9	-58.1	176.6	-169.4	171.4	1.9	110.8	Y5 C6 C9 H26	Y5-R11 WeakPolarHBondContact CA-O 3.24Å; C6-R11 PolarHBondContact N-O 2.79Å; C9-R11 PolarHBondContact O-N 3.09Å; R11-H26 WeakPolarHBondContact CB-NE2 3.4Å; R11-H26 PolarHBondContact O-NE2 2.83Å
12	K	90.9	Very high	86.8	Confident	119 Å²	119	96 Å²	96	52%	0.517	48%	0.481	S	S	.	.	B	Isolated β-bridge	trans	-64.9	130.6	173.4	-174.1	-164.9	173.3	-170.6	0	109.8	I4 Y5	I4-K12 WeakPolarHBondContact O-CA 3.41Å; I4-K12 WeakPolarHBondContact O-CG 3.27Å; Y5-K12 HydrophobicContact CD1-CB 4.06Å; Y5-K12 HydrophobicContact CE1-CB 3.95Å
13	C	88	Confident	87.6	Confident	10 Å²	10	97 Å²	97	7%	0.068	47%	0.465	C	S	.	.	P	Polyproline II helix	trans	-72.5	145.8	175.9	-58.4	0	0	0	0	112.1	I4 C6 V17	I4-C13 HydrophobicContact CG2-CB 4.13Å; I4-C13 PolarHBondContact O-N 2.99Å; C6-C13 PolarHBondContact N-SG 3.09Å; C6-C13 VanDerWaalsContact N-SG 3.39Å; C13-V17 HydrophobicContact CB-CB 4.43Å; C13-V17 HydrophobicContact CB-CG1 3.95Å; C13-V17 HydrophobicContact CB-CG2 3.55Å
14	R	84.1	Confident	88.1	Confident	218 Å²	218	93.3 Å²	93.3	82%	0.823	45%	0.448	S	S	*	.			trans	-138.9	144.5	172.5	-61.1	-173.1	-176.3	-158.3	3.3	107.9
15	G	84.2	Confident	88.3	Confident	72 Å²	72	90.5 Å²	90.5	74%	0.742	43%	0.434	S	S	*	.	S	Bend	trans	68.1	-151.8	-170.7	0	0	0	0	0	112	V17	G15-V17 WeakPolarHBondContact O-CG2 3.23Å
16	D	84.9	Confident	88.3	Confident	110 Å²	110	86.7 Å²	86.7	59%	0.588	42%	0.42	S	S	*	.			trans	-58.7	141.1	-179.9	-65.7	-7.1	0	0	0	113	K27	D16-K27 WeakPolarHBondContact OD2-CE 3.3Å; D16-K27 IonicContact OD2-NZ 2.88Å; D16-K27 PolarHBondContact OD2-NZ 2.88Å
17	V	88.7	Confident	88.1	Confident	45 Å²	45	90 Å²	90	27%	0.273	43%	0.434	S	S	.	.			trans	-137.5	126.3	-179.7	-161.1	0	0	0	0	110.4	I4 C13 G15 K19 Y24 F25	I4-V17 HydrophobicContact CG2-CG1 4.09Å; C13-V17 HydrophobicContact CB-CB 4.43Å; C13-V17 HydrophobicContact CB-CG1 3.95Å; C13-V17 HydrophobicContact CB-CG2 3.55Å; G15-V17 WeakPolarHBondContact O-CG2 3.23Å; V17-K19 PolarHBondContact O-N 3Å; V17-Y24 HydrophobicContact CG1-CD1 4.03Å; V17-Y24 HydrophobicContact CG1-CG 4.45Å; V17-F25 VanDerWaalsContact CG1-O 3.29Å; V17-F25 WeakPolarHBondContact CG1-O 3.24Å
18	L	88.4	Confident	88.1	Confident	36 Å²	36	93 Å²	93	19%	0.188	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	116.4	174.3	-60.5	176.9	0	0	0	109.1	Y24 F25 K27 F30 E40	L18-Y24 CarbonylContact O-C 3.59Å; L18-Y24 WeakPolarHBondContact O-CA 3.32Å; L18-F25 HydrophobicContact CB-CB 4.5Å; L18-F25 PolarHBondContact N-O 2.67Å; L18-F25 PolarHBondContact O-N 2.89Å; L18-K27 HydrophobicContact CD1-CG 4.41Å; L18-K27 HydrophobicContact CG-CG 4.37Å; L18-F30 HydrophobicContact CD1-CB 3.63Å; L18-F30 HydrophobicContact CD1-CD1 3.84Å; L18-F30 HydrophobicContact CD1-CG 4.03Å; L18-E40 HydrophobicContact CD1-CB 4.02Å; L18-E40 HydrophobicContact CD1-CG 3.93Å; L18-E40 HydrophobicContact CD2-CG 3.99Å
19	K	88.8	Confident	88.1	Confident	133 Å²	133	89.5 Å²	89.5	58%	0.578	44%	0.437	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.9	119.2	174.3	-175.7	-171.8	176	-169.6	0	109.4	V17 S21 Y24	V17-K19 PolarHBondContact O-N 3Å; K19-S21 WeakPolarHBondContact CE-O 3.41Å; K19-Y24 HydrophobicContact CB-CD1 4.03Å; K19-Y24 HydrophobicContact CB-CE1 3.93Å; K19-Y24 HydrophobicContact CD-CE1 4.02Å; K19-Y24 HydrophobicContact CG-CD1 4.14Å; K19-Y24 HydrophobicContact CG-CE1 3.76Å
20	V	85.9	Confident	88.1	Confident	11 Å²	11	87.7 Å²	87.7	7%	0.067	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	109.2	179.5	179.5	0	0	0	0	108.8	N22 K23 F25 F30 F44 F51	V20-N22 PolarHBondContact O-N 3.4Å; V20-K23 PolarHBondContact N-O 3.37Å; V20-K23 PolarHBondContact O-N 2.87Å; V20-F25 HydrophobicContact CB-CD2 4.41Å; V20-F25 HydrophobicContact CB-CE2 4.17Å; V20-F25 HydrophobicContact CG2-CD2 4.34Å; V20-F30 HydrophobicContact CB-CE2 4.47Å; V20-F30 HydrophobicContact CG1-CZ 4.49Å; V20-F30 HydrophobicContact CG2-CD2 4.38Å; V20-F30 HydrophobicContact CG2-CE1 4.22Å; V20-F30 HydrophobicContact CG2-CE2 3.76Å; V20-F30 HydrophobicContact CG2-CZ 3.68Å; V20-F44 HydrophobicContact CB-CZ 4.45Å; V20-F44 HydrophobicContact CG1-CE2 3.49Å; V20-F44 VanDerWaalsContact CG1-CE2 3.49Å; V20-F44 HydrophobicContact CG1-CZ 3.6Å; V20-F44 HydrophobicContact CG2-CE1 4.49Å; V20-F44 HydrophobicContact CG2-CZ 4.06Å; V20-F51 HydrophobicContact CB-CE1 4.5Å; V20-F51 HydrophobicContact CG1-CD1 4.48Å; V20-F51 HydrophobicContact CG1-CE1 3.72Å
21	S	83	Confident	88.1	Confident	98 Å²	98	80.9 Å²	80.9	69%	0.685	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	-106.3	-166.5	-53.5	0	0	0	0	111.2	K19	K19-S21 WeakPolarHBondContact CE-O 3.41Å
22	N	84.1	Confident	88.2	Confident	149 Å²	149	72 Å²	72	80%	0.797	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.9	6.5	179.7	-66.4	-13.5	0	0	0	113.4	V20	V20-N22 PolarHBondContact O-N 3.4Å
23	K	88.6	Confident	88.2	Confident	90 Å²	90	69.1 Å²	69.1	39%	0.391	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	155	178.7	-71.6	168.2	173.6	-80.3	0	110.5	D7 V20 F25 F51	D7-K23 HydrophobicContact CB-CB 4.15Å; D7-K23 HydrophobicContact CB-CD 4.49Å; D7-K23 HydrophobicContact CB-CG 4.24Å; D7-K23 IonicContact OD1-NZ 2.78Å; D7-K23 PolarHBondContact OD1-NZ 3.12Å; D7-K23 WeakPolarHBondContact OD2-CD 3.5Å; D7-K23 IonicContact OD2-NZ 3.16Å; D7-K23 PolarHBondContact OD2-NZ 3.15Å; V20-K23 PolarHBondContact N-O 3.37Å; V20-K23 PolarHBondContact O-N 2.87Å; K23-F25 HydrophobicContact CB-CE2 3.66Å; K23-F25 HydrophobicContact CB-CZ 3.9Å; K23-F25 HydrophobicContact CD-CZ 4.37Å; K23-F51 HydrophobicContact CD-CZ 4.47Å
24	Y	91.4	Very high	88.2	Confident	77 Å²	77	72.5 Å²	72.5	30%	0.302	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	145.8	-179.2	-66.9	-90	0	0	0	110.2	I4 C6 D7 V17 L18 K19	I4-Y24 HydrophobicContact CD1-CD1 4.35Å; I4-Y24 HydrophobicContact CD1-CE1 4.02Å; I4-Y24 HydrophobicContact CG2-CD1 3.62Å; I4-Y24 HydrophobicContact CG2-CD2 3.97Å; I4-Y24 HydrophobicContact CG2-CE1 4.25Å; I4-Y24 HydrophobicContact CG2-CG 3.45Å; I4-Y24 VanDerWaalsContact CG2-CG 3.45Å; C6-Y24 CarbonylContact C-O 3.53Å; C6-Y24 VanDerWaalsContact CA-O 3.3Å; C6-Y24 WeakPolarHBondContact CA-O 3.36Å; D7-Y24 PolarHBondContact N-O 3.39Å; V17-Y24 HydrophobicContact CG1-CD1 4.03Å; V17-Y24 HydrophobicContact CG1-CG 4.45Å; L18-Y24 CarbonylContact O-C 3.59Å; L18-Y24 WeakPolarHBondContact O-CA 3.32Å; K19-Y24 HydrophobicContact CB-CD1 4.03Å; K19-Y24 HydrophobicContact CB-CE1 3.93Å; K19-Y24 HydrophobicContact CD-CE1 4.02Å; K19-Y24 HydrophobicContact CG-CD1 4.14Å; K19-Y24 HydrophobicContact CG-CE1 3.76Å
25	F	91	Very high	88.5	Confident	4 Å²	4	64.6 Å²	64.6	2%	0.018	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	146.2	-178.2	-58.2	-85.9	0	0	0	111.4	D7 K8 V17 L18 V20 K23 C29 F30 F51	D7-F25 HydrophobicContact CB-CD1 4.39Å; D7-F25 HydrophobicContact CB-CE1 3.7Å; D7-F25 HydrophobicContact CB-CZ 3.83Å; K8-F25 HydrophobicContact CB-CD1 3.97Å; K8-F25 HydrophobicContact CB-CE1 4.01Å; V17-F25 VanDerWaalsContact CG1-O 3.29Å; V17-F25 WeakPolarHBondContact CG1-O 3.24Å; L18-F25 HydrophobicContact CB-CB 4.5Å; L18-F25 PolarHBondContact N-O 2.67Å; L18-F25 PolarHBondContact O-N 2.89Å; V20-F25 HydrophobicContact CB-CD2 4.41Å; V20-F25 HydrophobicContact CB-CE2 4.17Å; V20-F25 HydrophobicContact CG2-CD2 4.34Å; K23-F25 HydrophobicContact CB-CE2 3.66Å; K23-F25 HydrophobicContact CB-CZ 3.9Å; K23-F25 HydrophobicContact CD-CZ 4.37Å; F25-C29 HydrophobicContact CB-CB 4.49Å; F25-F30 HydrophobicContact CB-CB 4.04Å; F25-F30 HydrophobicContact CB-CD2 4.34Å; F25-F30 HydrophobicContact CD1-CD2 4.49Å; F25-F30 AromaticContact CD2-CD2 3.85Å; F25-F30 HydrophobicContact CD2-CD2 3.85Å; F25-F30 HydrophobicContact CD2-CE2 4.32Å; F25-F30 HydrophobicContact CE2-CD2 4.31Å; F25-F30 HydrophobicContact CE2-CE2 4.43Å; F25-F30 AromaticContact CG-CD2 3.97Å; F25-F30 HydrophobicContact CG-CD2 3.97Å; F25-F51 HydrophobicContact CE1-CE2 4.08Å; F25-F51 HydrophobicContact CE2-CE1 4.47Å; F25-F51 HydrophobicContact CE2-CE2 4.12Å; F25-F51 AromaticContact CE2-CZ 3.8Å; F25-F51 HydrophobicContact CE2-CZ 3.8Å; F25-F51 HydrophobicContact CZ-CD2 4.39Å; F25-F51 AromaticContact CZ-CE2 3.43Å; F25-F51 HydrophobicContact CZ-CE2 3.43Å; F25-F51 VanDerWaalsContact CZ-CE2 3.43Å; F25-F51 AromaticContact CZ-CZ 3.53Å; F25-F51 HydrophobicContact CZ-CZ 3.53Å
26	H	91.8	Very high	88.8	Confident	36 Å²	36	65 Å²	65	17%	0.167	34%	0.337	C	S	.	.			trans	-66.7	153.6	158.2	-51.8	108.4	0	0	0	109.4	C6 C9 R11 D28 C29 F30	C6-H26 WeakPolarHBondContact CB-CE1 3.41Å; C6-H26 WeakPolarHBondContact CB-ND1 3.17Å; C6-H26 VanDerWaalsContact CB-NE2 3.29Å; C6-H26 WeakPolarHBondContact CB-NE2 3.39Å; C6-H26 PolarHBondContact SG-CE1 2.99Å; C9-H26 PolarHBondContact SG-CE1 3.02Å; C9-H26 PolarHBondContact SG-ND1 3.23Å; C9-H26 VanDerWaalsContact SG-ND1 3.45Å; C9-H26 PolarHBondContact SG-NE2 2.91Å; R11-H26 WeakPolarHBondContact CB-NE2 3.4Å; R11-H26 PolarHBondContact O-NE2 2.83Å; H26-D28 VanDerWaalsContact C-N 3.34Å; H26-D28 PolarHBondContact O-N 2.8Å; H26-C29 HydrophobicContact CB-CB 4.15Å; H26-C29 PolarHBondContact CE1-SG 2.94Å; H26-C29 WeakPolarHBondContact O-CB 3.4Å; H26-C29 PolarHBondContact O-N 3.4Å; H26-F30 PolarHBondContact O-N 3.32Å; H26-F30 VanDerWaalsContact O-N 3.15Å
27	K	88.6	Confident	88.9	Confident	72 Å²	72	65.2 Å²	65.2	31%	0.313	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-47.7	-54.3	174.2	-67.2	-174.7	175.6	-176.8	0	111.8	D16 L18 C29 F30 E40	D16-K27 WeakPolarHBondContact OD2-CE 3.3Å; D16-K27 IonicContact OD2-NZ 2.88Å; D16-K27 PolarHBondContact OD2-NZ 2.88Å; L18-K27 HydrophobicContact CD1-CG 4.41Å; L18-K27 HydrophobicContact CG-CG 4.37Å; K27-C29 PolarHBondContact O-N 3.17Å; K27-F30 PolarHBondContact O-N 2.88Å; K27-E40 VanDerWaalsContact CB-OE2 3.25Å; K27-E40 WeakPolarHBondContact CB-OE2 3.45Å; K27-E40 WeakPolarHBondContact CD-OE1 3.23Å; K27-E40 WeakPolarHBondContact CD-OE2 3.39Å; K27-E40 WeakPolarHBondContact CE-OE1 3.4Å; K27-E40 VanDerWaalsContact CG-OE2 3.24Å; K27-E40 WeakPolarHBondContact CG-OE2 3.38Å; K27-E40 IonicContact NZ-OE1 3.24Å
28	D	87.8	Confident	88.9	Confident	134 Å²	134	67 Å²	67	72%	0.717	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-66.4	-20.8	-179.6	-27	-77.5	0	0	0	114	H26	H26-D28 VanDerWaalsContact C-N 3.34Å; H26-D28 PolarHBondContact O-N 2.8Å
29	C	89.2	Confident	88.9	Confident	22 Å²	22	65.6 Å²	65.6	15%	0.149	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-81	-30.6	176.2	-69.8	0	0	0	0	111.6	C6 K8 F25 H26 K27 K31	C6-C29 VanDerWaalsContact SG-SG 3.64Å; K8-C29 HydrophobicContact CB-CB 4.3Å; K8-C29 HydrophobicContact CD-CB 4.3Å; K8-C29 WeakPolarHBondContact CD-O 3.48Å; K8-C29 PolarHBondContact NZ-O 3.15Å; F25-C29 HydrophobicContact CB-CB 4.49Å; H26-C29 HydrophobicContact CB-CB 4.15Å; H26-C29 PolarHBondContact CE1-SG 2.94Å; H26-C29 WeakPolarHBondContact O-CB 3.4Å; H26-C29 PolarHBondContact O-N 3.4Å; K27-C29 PolarHBondContact O-N 3.17Å; C29-K31 VanDerWaalsContact C-N 3.26Å; C29-K31 PolarHBondContact O-N 3.48Å
30	F	90.1	Very high	88.5	Confident	5 Å²	5	62.2 Å²	62.2	2%	0.022	33%	0.326	C	S	.	.			trans	-82.2	71.8	-174.5	-162.8	-118.4	0	0	0	111.7	L18 V20 F25 H26 K27 L39 F44 F51	L18-F30 HydrophobicContact CD1-CB 3.63Å; L18-F30 HydrophobicContact CD1-CD1 3.84Å; L18-F30 HydrophobicContact CD1-CG 4.03Å; V20-F30 HydrophobicContact CB-CE2 4.47Å; V20-F30 HydrophobicContact CG1-CZ 4.49Å; V20-F30 HydrophobicContact CG2-CD2 4.38Å; V20-F30 HydrophobicContact CG2-CE1 4.22Å; V20-F30 HydrophobicContact CG2-CE2 3.76Å; V20-F30 HydrophobicContact CG2-CZ 3.68Å; F25-F30 HydrophobicContact CB-CB 4.04Å; F25-F30 HydrophobicContact CB-CD2 4.34Å; F25-F30 HydrophobicContact CD1-CD2 4.49Å; F25-F30 AromaticContact CD2-CD2 3.85Å; F25-F30 HydrophobicContact CD2-CD2 3.85Å; F25-F30 HydrophobicContact CD2-CE2 4.32Å; F25-F30 HydrophobicContact CE2-CD2 4.31Å; F25-F30 HydrophobicContact CE2-CE2 4.43Å; F25-F30 AromaticContact CG-CD2 3.97Å; F25-F30 HydrophobicContact CG-CD2 3.97Å; H26-F30 PolarHBondContact O-N 3.32Å; H26-F30 VanDerWaalsContact O-N 3.15Å; K27-F30 PolarHBondContact O-N 2.88Å; F30-L39 HydrophobicContact CD1-CB 3.52Å; F30-L39 HydrophobicContact CE1-CB 3.38Å; F30-L39 HydrophobicContact CE1-CD1 4.39Å; F30-L39 HydrophobicContact CG-CB 4.31Å; F30-L39 HydrophobicContact CZ-CB 4.07Å; F30-L39 HydrophobicContact CZ-CD1 4.26Å; F30-L39 WeakPolarHBondContact O-CB 3.42Å; F30-L39 PolarHBondContact O-N 3.14Å; F30-F44 AromaticContact CE1-CD1 3.68Å; F30-F44 HydrophobicContact CE1-CD1 3.68Å; F30-F44 HydrophobicContact CE1-CE1 4.02Å; F30-F44 HydrophobicContact CE1-CG 4.06Å; F30-F44 HydrophobicContact CZ-CB 4.28Å; F30-F44 AromaticContact CZ-CD1 3.7Å; F30-F44 HydrophobicContact CZ-CD1 3.7Å; F30-F44 AromaticContact CZ-CD2 3.92Å; F30-F44 HydrophobicContact CZ-CD2 3.92Å; F30-F44 AromaticContact CZ-CE1 3.96Å; F30-F44 HydrophobicContact CZ-CE1 3.96Å; F30-F44 HydrophobicContact CZ-CE2 4.17Å; F30-F44 AromaticContact CZ-CG 3.69Å; F30-F44 HydrophobicContact CZ-CG 3.69Å; F30-F44 HydrophobicContact CZ-CZ 4.19Å; F30-F51 HydrophobicContact CE2-CB 4.32Å; F30-F51 AromaticContact CE2-CD1 3.59Å; F30-F51 HydrophobicContact CE2-CD1 3.59Å; F30-F51 HydrophobicContact CE2-CD2 4.46Å; F30-F51 AromaticContact CE2-CE1 3.98Å; F30-F51 HydrophobicContact CE2-CE1 3.98Å; F30-F51 AromaticContact CE2-CG 3.87Å; F30-F51 HydrophobicContact CE2-CG 3.87Å; F30-F51 HydrophobicContact CZ-CD1 4.1Å
31	K	91.2	Very high	87.9	Confident	72 Å²	72	70.1 Å²	70.1	31%	0.313	36%	0.362	S	S	.	.	B	Isolated β-bridge	trans	-125.5	150.7	178.4	61.6	173.4	177.5	161.6	0	112.1	K8 C29 N36 K37	K8-K31 PolarHBondContact NZ-O 3.39Å; C29-K31 VanDerWaalsContact C-N 3.26Å; C29-K31 PolarHBondContact O-N 3.48Å; K31-N36 WeakPolarHBondContact CB-O 3.48Å; K31-N36 HydrophobicContact CD-CB 4.16Å; K31-N36 WeakPolarHBondContact CD-O 3.17Å; K31-N36 WeakPolarHBondContact CD-OD1 3.47Å; K31-N36 WeakPolarHBondContact CE-OD1 3.44Å; K31-N36 PolarHBondContact NZ-OD1 2.88Å; K31-K37 WeakPolarHBondContact CA-O 3.4Å
32	C	92.4	Very high	87.4	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	35%	0.351	C	S	.	.			trans	-49.5	144.1	178.5	-169.6	0	0	0	0	111.8	N36 K37 L39 F51 C53 D56	C32-N36 WeakPolarHBondContact O-CA 3.27Å; C32-N36 PolarHBondContact O-N 3.01Å; C32-K37 PolarHBondContact N-O 3.25Å; C32-L39 HydrophobicContact CB-CD2 4.38Å; C32-F51 WeakPolarHBondContact CA-O 3.38Å; C32-C53 HydrophobicContact CB-CB 4.35Å; C32-C53 PolarHBondContact SG-N 3.14Å; C32-C53 VanDerWaalsContact SG-N 3.37Å; C32-D56 PolarHBondContact SG-OD2 2.9Å
33	T	89.7	Confident	87.3	Confident	57 Å²	57	62.6 Å²	62.6	35%	0.35	34%	0.336	S	S	.	.	S	Bend	trans	-65.8	-39.7	173.7	51	0	0	0	0	112	F51 Y52	T33-F51 PolarHBondContact N-O 2.97Å; T33-Y52 WeakPolarHBondContact OG1-CE1 3.32Å
34	E	88.5	Confident	87.3	Confident	81 Å²	81	62 Å²	62	38%	0.379	33%	0.333	S	S	.	.	S	Bend	trans	-86.1	-81.5	-177.8	-37.9	-51.9	121.5	0	0	110.8	N36 Y52 D56 Y60	E34-N36 PolarHBondContact O-N 3.34Å; E34-N36 PolarHBondContact O-ND2 3.14Å; E34-Y52 HydrophobicContact CG-CD1 3.99Å; E34-Y52 HydrophobicContact CG-CE1 3.75Å; E34-Y52 VanDerWaalsContact OE1-CE1 3.25Å; E34-Y52 WeakPolarHBondContact OE1-CE1 3.46Å; E34-D56 HydrophobicContact CB-CB 4.34Å; E34-D56 HydrophobicContact CG-CB 4.29Å; E34-Y60 HydrophobicContact CB-CE2 4.22Å; E34-Y60 HydrophobicContact CG-CD2 4.12Å; E34-Y60 HydrophobicContact CG-CE2 3.88Å
35	C	91	Very high	87.2	Confident	53 Å²	53	61.4 Å²	61.4	36%	0.358	33%	0.332	S	S	.	.	S	Bend	trans	-70.2	-1.3	-174.3	71.1	0	0	0	0	116	K37 D56	C35-K37 PolarHBondContact O-N 3.39Å; C35-K37 WeakPolarHBondContact SG-CB 3.33Å; C35-D56 WeakPolarHBondContact CB-OD2 3.33Å; C35-D56 PolarHBondContact N-OD2 2.98Å; C35-D56 PolarHBondContact SG-OD2 3.12Å
36	N	89.2	Confident	87.1	Confident	81 Å²	81	65 Å²	65	43%	0.433	35%	0.354	S	S	.	.			trans	54.9	11	-178.5	-81.7	-99.3	0	0	0	116.1	K31 C32 E34	K31-N36 WeakPolarHBondContact CB-O 3.48Å; K31-N36 HydrophobicContact CD-CB 4.16Å; K31-N36 WeakPolarHBondContact CD-O 3.17Å; K31-N36 WeakPolarHBondContact CD-OD1 3.47Å; K31-N36 WeakPolarHBondContact CE-OD1 3.44Å; K31-N36 PolarHBondContact NZ-OD1 2.88Å; C32-N36 WeakPolarHBondContact O-CA 3.27Å; C32-N36 PolarHBondContact O-N 3.01Å; E34-N36 PolarHBondContact O-N 3.34Å; E34-N36 PolarHBondContact O-ND2 3.14Å
37	K	87.4	Confident	86.8	Confident	114 Å²	114	64.6 Å²	64.6	50%	0.496	35%	0.352	S	S	.	.			trans	-68.2	137	175.1	-162.4	-172.8	-61.3	179	0	110.2	K31 C32 C35 D55	K31-K37 WeakPolarHBondContact CA-O 3.4Å; C32-K37 PolarHBondContact N-O 3.25Å; C35-K37 PolarHBondContact O-N 3.39Å; C35-K37 WeakPolarHBondContact SG-CB 3.33Å; K37-D55 IonicContact NZ-OD2 2.72Å; K37-D55 PolarHBondContact NZ-OD2 3.15Å
38	S	88.3	Confident	86.6	Confident	83 Å²	83	67.5 Å²	67.5	58%	0.58	37%	0.371	S	S	*	.	B	Isolated β-bridge	trans	-62.3	137.7	178.9	-54.8	0	0	0	0	111.6
39	L	88.5	Confident	86.3	Confident	6 Å²	6	64.1 Å²	64.1	3%	0.031	37%	0.368	C	S	.	.			trans	-105.6	7.8	-174.6	-62.9	176.3	0	0	0	113	F30 C32 H41 F44 F51 C53	F30-L39 HydrophobicContact CD1-CB 3.52Å; F30-L39 HydrophobicContact CE1-CB 3.38Å; F30-L39 HydrophobicContact CE1-CD1 4.39Å; F30-L39 HydrophobicContact CG-CB 4.31Å; F30-L39 HydrophobicContact CZ-CB 4.07Å; F30-L39 HydrophobicContact CZ-CD1 4.26Å; F30-L39 WeakPolarHBondContact O-CB 3.42Å; F30-L39 PolarHBondContact O-N 3.14Å; C32-L39 HydrophobicContact CB-CD2 4.38Å; L39-H41 PolarHBondContact O-N 3.29Å; L39-F44 HydrophobicContact CB-CB 4.24Å; L39-F44 HydrophobicContact CD1-CB 4.03Å; L39-F44 HydrophobicContact CD2-CB 4.27Å; L39-F44 HydrophobicContact CG-CB 4.42Å; L39-F51 HydrophobicContact CD1-CB 3.8Å; L39-C53 HydrophobicContact CD2-CB 3.62Å
40	E	80.3	Confident	86.2	Confident	61 Å²	61	63.6 Å²	63.6	29%	0.285	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-35.9	-176.9	-174.2	171.4	175.1	0	0	113.7	L18 K27	L18-E40 HydrophobicContact CD1-CB 4.02Å; L18-E40 HydrophobicContact CD1-CG 3.93Å; L18-E40 HydrophobicContact CD2-CG 3.99Å; K27-E40 VanDerWaalsContact CB-OE2 3.25Å; K27-E40 WeakPolarHBondContact CB-OE2 3.45Å; K27-E40 WeakPolarHBondContact CD-OE1 3.23Å; K27-E40 WeakPolarHBondContact CD-OE2 3.39Å; K27-E40 WeakPolarHBondContact CE-OE1 3.4Å; K27-E40 VanDerWaalsContact CG-OE2 3.24Å; K27-E40 WeakPolarHBondContact CG-OE2 3.38Å; K27-E40 IonicContact NZ-OE1 3.24Å
41	H	73.1	Confident	86.2	Confident	177 Å²	177	64.5 Å²	64.5	82%	0.819	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.1	14.4	-173.8	-52.2	-41.1	0	0	0	113.6	L39	L39-H41 PolarHBondContact O-N 3.29Å
42	G	72.7	Confident	86.2	Confident	43 Å²	43	62.5 Å²	62.5	44%	0.443	36%	0.361	S	S	.	.	S	Bend	trans	-138.4	156.8	-172.8	0	0	0	0	0	113.6	F44	G42-F44 PolarHBondContact O-N 2.57Å; G42-F44 VanDerWaalsContact O-N 3.12Å
43	G	83.4	Confident	86.2	Confident	47 Å²	47	62.9 Å²	62.9	49%	0.485	36%	0.364	S	S	.	.			trans	-61.1	113.4	171.8	0	0	0	0	0	110.9
44	F	88.3	Confident	86.1	Confident	77 Å²	77	64.1 Å²	64.1	34%	0.338	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	151	174.5	65.4	-93.8	0	0	0	111	V20 F30 L39 G42 V46 F51 Y52	V20-F44 HydrophobicContact CB-CZ 4.45Å; V20-F44 HydrophobicContact CG1-CE2 3.49Å; V20-F44 VanDerWaalsContact CG1-CE2 3.49Å; V20-F44 HydrophobicContact CG1-CZ 3.6Å; V20-F44 HydrophobicContact CG2-CE1 4.49Å; V20-F44 HydrophobicContact CG2-CZ 4.06Å; F30-F44 AromaticContact CE1-CD1 3.68Å; F30-F44 HydrophobicContact CE1-CD1 3.68Å; F30-F44 HydrophobicContact CE1-CE1 4.02Å; F30-F44 HydrophobicContact CE1-CG 4.06Å; F30-F44 HydrophobicContact CZ-CB 4.28Å; F30-F44 AromaticContact CZ-CD1 3.7Å; F30-F44 HydrophobicContact CZ-CD1 3.7Å; F30-F44 AromaticContact CZ-CD2 3.92Å; F30-F44 HydrophobicContact CZ-CD2 3.92Å; F30-F44 AromaticContact CZ-CE1 3.96Å; F30-F44 HydrophobicContact CZ-CE1 3.96Å; F30-F44 HydrophobicContact CZ-CE2 4.17Å; F30-F44 AromaticContact CZ-CG 3.69Å; F30-F44 HydrophobicContact CZ-CG 3.69Å; F30-F44 HydrophobicContact CZ-CZ 4.19Å; L39-F44 HydrophobicContact CB-CB 4.24Å; L39-F44 HydrophobicContact CD1-CB 4.03Å; L39-F44 HydrophobicContact CD2-CB 4.27Å; L39-F44 HydrophobicContact CG-CB 4.42Å; G42-F44 PolarHBondContact O-N 2.57Å; G42-F44 VanDerWaalsContact O-N 3.12Å; F44-V46 HydrophobicContact CD2-CG2 3.95Å; F44-V46 HydrophobicContact CE2-CG2 3.84Å; F44-F51 HydrophobicContact CD2-CD1 4.42Å; F44-Y52 WeakPolarHBondContact CA-O 3.41Å
45	F	89	Confident	86.1	Confident	65 Å²	65	63.7 Å²	63.7	29%	0.285	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	131.1	175.4	-65.7	-95.1	0	0	0	109.5	Y52 Q54 Y57	F45-Y52 PolarHBondContact N-O 3.49Å; F45-Y52 PolarHBondContact O-N 2.88Å; F45-Q54 HydrophobicContact CE2-CB 4.06Å; F45-Q54 HydrophobicContact CE2-CG 4.12Å; F45-Y57 HydrophobicContact CB-CD1 3.92Å; F45-Y57 HydrophobicContact CB-CD2 3.2Å; F45-Y57 HydrophobicContact CB-CE1 4.19Å; F45-Y57 HydrophobicContact CB-CE2 3.55Å; F45-Y57 HydrophobicContact CB-CG 3.41Å; F45-Y57 VanDerWaalsContact CB-CG 3.41Å; F45-Y57 AromaticContact CD1-CD1 3.52Å; F45-Y57 HydrophobicContact CD1-CD1 3.52Å; F45-Y57 HydrophobicContact CD1-CD2 4.26Å; F45-Y57 AromaticContact CD1-CE1 3.36Å; F45-Y57 HydrophobicContact CD1-CE1 3.36Å; F45-Y57 HydrophobicContact CD1-CE2 4.16Å; F45-Y57 AromaticContact CD1-CG 3.98Å; F45-Y57 HydrophobicContact CD1-CG 3.98Å; F45-Y57 AromaticContact CD1-CZ 3.72Å; F45-Y57 AromaticContact CD2-CD1 3.74Å; F45-Y57 HydrophobicContact CD2-CD1 3.74Å; F45-Y57 HydrophobicContact CD2-CD2 4.42Å; F45-Y57 HydrophobicContact CD2-CE1 4.44Å; F45-Y57 AromaticContact CD2-CG 3.72Å; F45-Y57 HydrophobicContact CD2-CG 3.72Å; F45-Y57 AromaticContact CE1-CD1 3.92Å; F45-Y57 HydrophobicContact CE1-CD1 3.92Å; F45-Y57 AromaticContact CE1-CE1 3.78Å; F45-Y57 HydrophobicContact CE1-CE1 3.78Å; F45-Y57 HydrophobicContact CE2-CD1 4.13Å; F45-Y57 AromaticContact CG-CD1 3.42Å; F45-Y57 HydrophobicContact CG-CD1 3.42Å; F45-Y57 VanDerWaalsContact CG-CD1 3.42Å; F45-Y57 AromaticContact CG-CD2 3.74Å; F45-Y57 HydrophobicContact CG-CD2 3.74Å; F45-Y57 AromaticContact CG-CE1 3.75Å; F45-Y57 HydrophobicContact CG-CE1 3.75Å; F45-Y57 HydrophobicContact CG-CE2 4.06Å; F45-Y57 AromaticContact CG-CG 3.42Å; F45-Y57 HydrophobicContact CG-CG 3.42Å; F45-Y57 VanDerWaalsContact CG-CG 3.42Å; F45-Y57 HydrophobicContact CZ-CD1 4.21Å; F45-Y57 HydrophobicContact CZ-CE1 4.49Å
46	V	89	Confident	86	Confident	78 Å²	78	61.3 Å²	61.3	47%	0.473	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	125.8	176.4	-171	0	0	0	0	108.4	F44 G50 F51	F44-V46 HydrophobicContact CD2-CG2 3.95Å; F44-V46 HydrophobicContact CE2-CG2 3.84Å; V46-G50 WeakPolarHBondContact CA-O 3.45Å; V46-F51 HydrophobicContact CG1-CE1 4.22Å; V46-F51 HydrophobicContact CG2-CD1 3.83Å; V46-F51 HydrophobicContact CG2-CE1 3.76Å
47	K	84.6	Confident	86	Confident	28 Å²	28	59 Å²	59	12%	0.122	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	136.2	176.4	-179.1	168.8	172.2	-173.3	0	111.2	G49 G50 Y52 Y57 F61 Y329	K47-G49 PolarHBondContact O-N 3.02Å; K47-G50 PolarHBondContact N-O 3.33Å; K47-G50 WeakPolarHBondContact O-CA 3.39Å; K47-G50 PolarHBondContact O-N 2.81Å; K47-Y52 HydrophobicContact CB-CD2 4.49Å; K47-Y52 HydrophobicContact CB-CE2 4.41Å; K47-Y57 HydrophobicContact CB-CE2 4.33Å; K47-Y57 HydrophobicContact CD-CE2 4.3Å; K47-F61 HydrophobicContact CB-CE2 4.44Å; K47-F61 HydrophobicContact CD-CB 4.4Å; K47-F61 HydrophobicContact CD-CD1 3.8Å; K47-F61 HydrophobicContact CD-CD2 3.96Å; K47-F61 HydrophobicContact CD-CE1 3.9Å; K47-F61 HydrophobicContact CD-CE2 4.06Å; K47-F61 HydrophobicContact CD-CG 3.79Å; K47-F61 HydrophobicContact CD-CZ 4.01Å; K47-F61 HydrophobicContact CG-CZ 4.47Å; K47-Y329 WeakPolarHBondContact CE-OH 3.35Å; K47-Y329 PolarHBondContact NZ-OH 2.9Å
48	D	84.4	Confident	86	Confident	133 Å²	133	59.3 Å²	59.3	71%	0.711	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	25.9	178.3	-49.9	-28.7	0	0	0	113.4	G50	D48-G50 VanDerWaalsContact C-N 3.34Å
49	G	83	Confident	85.8	Confident	63 Å²	63	63.3 Å²	63.3	65%	0.649	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.4	-13.6	-174.7	0	0	0	0	0	115.6	K47	K47-G49 PolarHBondContact O-N 3.02Å
50	G	85.9	Confident	85.6	Confident	12 Å²	12	68.8 Å²	68.8	12%	0.124	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	160.1	174.9	0	0	0	0	0	113.9	V46 K47 D48	V46-G50 WeakPolarHBondContact CA-O 3.45Å; K47-G50 PolarHBondContact N-O 3.33Å; K47-G50 WeakPolarHBondContact O-CA 3.39Å; K47-G50 PolarHBondContact O-N 2.81Å; D48-G50 VanDerWaalsContact C-N 3.34Å
51	F	90	Very high	85.8	Confident	24 Å²	24	66.9 Å²	66.9	11%	0.105	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	121.8	177	-60.9	-82.9	0	0	0	109.6	V20 K23 F25 F30 C32 T33 L39 F44 V46	V20-F51 HydrophobicContact CB-CE1 4.5Å; V20-F51 HydrophobicContact CG1-CD1 4.48Å; V20-F51 HydrophobicContact CG1-CE1 3.72Å; K23-F51 HydrophobicContact CD-CZ 4.47Å; F25-F51 HydrophobicContact CE1-CE2 4.08Å; F25-F51 HydrophobicContact CE2-CE1 4.47Å; F25-F51 HydrophobicContact CE2-CE2 4.12Å; F25-F51 AromaticContact CE2-CZ 3.8Å; F25-F51 HydrophobicContact CE2-CZ 3.8Å; F25-F51 HydrophobicContact CZ-CD2 4.39Å; F25-F51 AromaticContact CZ-CE2 3.43Å; F25-F51 HydrophobicContact CZ-CE2 3.43Å; F25-F51 VanDerWaalsContact CZ-CE2 3.43Å; F25-F51 AromaticContact CZ-CZ 3.53Å; F25-F51 HydrophobicContact CZ-CZ 3.53Å; F30-F51 HydrophobicContact CE2-CB 4.32Å; F30-F51 AromaticContact CE2-CD1 3.59Å; F30-F51 HydrophobicContact CE2-CD1 3.59Å; F30-F51 HydrophobicContact CE2-CD2 4.46Å; F30-F51 AromaticContact CE2-CE1 3.98Å; F30-F51 HydrophobicContact CE2-CE1 3.98Å; F30-F51 AromaticContact CE2-CG 3.87Å; F30-F51 HydrophobicContact CE2-CG 3.87Å; F30-F51 HydrophobicContact CZ-CD1 4.1Å; C32-F51 WeakPolarHBondContact CA-O 3.38Å; T33-F51 PolarHBondContact N-O 2.97Å; L39-F51 HydrophobicContact CD1-CB 3.8Å; F44-F51 HydrophobicContact CD2-CD1 4.42Å; V46-F51 HydrophobicContact CG1-CE1 4.22Å; V46-F51 HydrophobicContact CG2-CD1 3.83Å; V46-F51 HydrophobicContact CG2-CE1 3.76Å
52	Y	91.6	Very high	86.3	Confident	29 Å²	29	59.1 Å²	59.1	11%	0.114	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	141.5	-172.3	-63	-91.5	0	0	0	110.9	T33 E34 F44 F45 K47 F61	T33-Y52 WeakPolarHBondContact OG1-CE1 3.32Å; E34-Y52 HydrophobicContact CG-CD1 3.99Å; E34-Y52 HydrophobicContact CG-CE1 3.75Å; E34-Y52 VanDerWaalsContact OE1-CE1 3.25Å; E34-Y52 WeakPolarHBondContact OE1-CE1 3.46Å; F44-Y52 WeakPolarHBondContact CA-O 3.41Å; F45-Y52 PolarHBondContact N-O 3.49Å; F45-Y52 PolarHBondContact O-N 2.88Å; K47-Y52 HydrophobicContact CB-CD2 4.49Å; K47-Y52 HydrophobicContact CB-CE2 4.41Å; Y52-F61 AromaticContact CD1-CE2 3.74Å; Y52-F61 HydrophobicContact CD1-CE2 3.74Å; Y52-F61 AromaticContact CD2-CE2 3.73Å; Y52-F61 HydrophobicContact CD2-CE2 3.73Å; Y52-F61 AromaticContact CE1-CE2 3.59Å; Y52-F61 HydrophobicContact CE1-CE2 3.59Å; Y52-F61 AromaticContact CE1-CZ 3.96Å; Y52-F61 HydrophobicContact CE1-CZ 3.96Å; Y52-F61 AromaticContact CE2-CE2 3.6Å; Y52-F61 HydrophobicContact CE2-CE2 3.6Å; Y52-F61 AromaticContact CE2-CZ 3.97Å; Y52-F61 HydrophobicContact CE2-CZ 3.97Å; Y52-F61 AromaticContact CG-CE2 3.82Å; Y52-F61 HydrophobicContact CG-CE2 3.82Å; Y52-F61 AromaticContact CZ-CE2 3.55Å; Y52-F61 AromaticContact CZ-CZ 3.67Å
53	C	91.6	Very high	86.8	Confident	8 Å²	8	58 Å²	58	5%	0.054	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	162.8	166.2	72.5	0	0	0	0	110.2	C32 L39 D55 D56 Y57	C32-C53 HydrophobicContact CB-CB 4.35Å; C32-C53 PolarHBondContact SG-N 3.14Å; C32-C53 VanDerWaalsContact SG-N 3.37Å; L39-C53 HydrophobicContact CD2-CB 3.62Å; C53-D55 PolarHBondContact O-N 3.45Å; C53-D56 PolarHBondContact O-N 3.19Å; C53-D56 VanDerWaalsContact SG-CG 3.53Å; C53-D56 PolarHBondContact SG-N 3.31Å; C53-D56 VanDerWaalsContact SG-N 3.35Å; C53-D56 PolarHBondContact SG-OD2 3.36Å; C53-D56 VanDerWaalsContact SG-OD2 3.32Å; C53-Y57 WeakPolarHBondContact O-CB 3.46Å; C53-Y57 PolarHBondContact O-N 3.37Å
54	Q	87.6	Confident	87	Confident	84 Å²	84	60.5 Å²	60.5	39%	0.393	30%	0.296	S	S	.	.	H	α-helix	trans	-56.5	-33.8	177.9	-175.3	167.6	-44.6	0	0	113.7	F45 R58	F45-Q54 HydrophobicContact CE2-CB 4.06Å; F45-Q54 HydrophobicContact CE2-CG 4.12Å; Q54-R58 WeakPolarHBondContact O-CD 3.38Å; Q54-R58 VanDerWaalsContact O-CG 3.25Å; Q54-R58 WeakPolarHBondContact O-CG 3.14Å; Q54-R58 PolarHBondContact O-N 2.82Å
55	D	88.6	Confident	87	Confident	71 Å²	71	56.9 Å²	56.9	38%	0.38	28%	0.281	S	S	.	.	H	α-helix	trans	-68.2	-53.2	179.7	-50.4	-40.3	0	0	0	111.5	K37 C53 R58 R59	K37-D55 IonicContact NZ-OD2 2.72Å; K37-D55 PolarHBondContact NZ-OD2 3.15Å; C53-D55 PolarHBondContact O-N 3.45Å; D55-R58 PolarHBondContact O-N 3.5Å; D55-R59 WeakPolarHBondContact O-CD 3.49Å; D55-R59 VanDerWaalsContact O-CG 3.29Å; D55-R59 WeakPolarHBondContact O-CG 3.43Å; D55-R59 PolarHBondContact O-N 3.25Å
56	D	90.4	Very high	86.8	Confident	4 Å²	4	57.9 Å²	57.9	2%	0.021	29%	0.285	C	S	.	.	H	α-helix	trans	-72.1	-35.7	-177.9	-63	-26.4	0	0	0	111	C32 E34 C35 C53 R58 R59 Y60	C32-D56 PolarHBondContact SG-OD2 2.9Å; E34-D56 HydrophobicContact CB-CB 4.34Å; E34-D56 HydrophobicContact CG-CB 4.29Å; C35-D56 WeakPolarHBondContact CB-OD2 3.33Å; C35-D56 PolarHBondContact N-OD2 2.98Å; C35-D56 PolarHBondContact SG-OD2 3.12Å; C53-D56 PolarHBondContact O-N 3.19Å; C53-D56 VanDerWaalsContact SG-CG 3.53Å; C53-D56 PolarHBondContact SG-N 3.31Å; C53-D56 VanDerWaalsContact SG-N 3.35Å; C53-D56 PolarHBondContact SG-OD2 3.36Å; C53-D56 VanDerWaalsContact SG-OD2 3.32Å; D56-R58 VanDerWaalsContact C-N 3.28Å; D56-R58 PolarHBondContact O-N 3.14Å; D56-R59 PolarHBondContact O-N 2.94Å; D56-R59 IonicContact OD1-NH1 2.63Å; D56-R59 PolarHBondContact OD1-NH1 3.13Å; D56-R59 VanDerWaalsContact OD1-NH1 3.15Å; D56-Y60 HydrophobicContact CB-CD2 4.09Å; D56-Y60 HydrophobicContact CB-CE2 4.34Å; D56-Y60 WeakPolarHBondContact O-CB 3.45Å; D56-Y60 VanDerWaalsContact O-CD2 3.29Å; D56-Y60 WeakPolarHBondContact O-CD2 3.44Å; D56-Y60 PolarHBondContact O-N 3.04Å
57	Y	88.9	Confident	86.6	Confident	31 Å²	31	58.6 Å²	58.6	12%	0.122	29%	0.285	C	S	.	.	H	α-helix	trans	-60.8	-38.5	173.7	-173.3	-99.7	0	0	0	111.9	F45 K47 C53 F61 V62	F45-Y57 HydrophobicContact CB-CD1 3.92Å; F45-Y57 HydrophobicContact CB-CD2 3.2Å; F45-Y57 HydrophobicContact CB-CE1 4.19Å; F45-Y57 HydrophobicContact CB-CE2 3.55Å; F45-Y57 HydrophobicContact CB-CG 3.41Å; F45-Y57 VanDerWaalsContact CB-CG 3.41Å; F45-Y57 AromaticContact CD1-CD1 3.52Å; F45-Y57 HydrophobicContact CD1-CD1 3.52Å; F45-Y57 HydrophobicContact CD1-CD2 4.26Å; F45-Y57 AromaticContact CD1-CE1 3.36Å; F45-Y57 HydrophobicContact CD1-CE1 3.36Å; F45-Y57 HydrophobicContact CD1-CE2 4.16Å; F45-Y57 AromaticContact CD1-CG 3.98Å; F45-Y57 HydrophobicContact CD1-CG 3.98Å; F45-Y57 AromaticContact CD1-CZ 3.72Å; F45-Y57 AromaticContact CD2-CD1 3.74Å; F45-Y57 HydrophobicContact CD2-CD1 3.74Å; F45-Y57 HydrophobicContact CD2-CD2 4.42Å; F45-Y57 HydrophobicContact CD2-CE1 4.44Å; F45-Y57 AromaticContact CD2-CG 3.72Å; F45-Y57 HydrophobicContact CD2-CG 3.72Å; F45-Y57 AromaticContact CE1-CD1 3.92Å; F45-Y57 HydrophobicContact CE1-CD1 3.92Å; F45-Y57 AromaticContact CE1-CE1 3.78Å; F45-Y57 HydrophobicContact CE1-CE1 3.78Å; F45-Y57 HydrophobicContact CE2-CD1 4.13Å; F45-Y57 AromaticContact CG-CD1 3.42Å; F45-Y57 HydrophobicContact CG-CD1 3.42Å; F45-Y57 VanDerWaalsContact CG-CD1 3.42Å; F45-Y57 AromaticContact CG-CD2 3.74Å; F45-Y57 HydrophobicContact CG-CD2 3.74Å; F45-Y57 AromaticContact CG-CE1 3.75Å; F45-Y57 HydrophobicContact CG-CE1 3.75Å; F45-Y57 HydrophobicContact CG-CE2 4.06Å; F45-Y57 AromaticContact CG-CG 3.42Å; F45-Y57 HydrophobicContact CG-CG 3.42Å; F45-Y57 VanDerWaalsContact CG-CG 3.42Å; F45-Y57 HydrophobicContact CZ-CD1 4.21Å; F45-Y57 HydrophobicContact CZ-CE1 4.49Å; K47-Y57 HydrophobicContact CB-CE2 4.33Å; K47-Y57 HydrophobicContact CD-CE2 4.3Å; C53-Y57 WeakPolarHBondContact O-CB 3.46Å; C53-Y57 PolarHBondContact O-N 3.37Å; Y57-F61 HydrophobicContact CD2-CB 4.17Å; Y57-F61 AromaticContact CD2-CD2 3.43Å; Y57-F61 HydrophobicContact CD2-CD2 3.43Å; Y57-F61 VanDerWaalsContact CD2-CD2 3.43Å; Y57-F61 HydrophobicContact CD2-CE2 4.24Å; Y57-F61 HydrophobicContact CD2-CG 4.25Å; Y57-F61 HydrophobicContact CE2-CB 4.03Å; Y57-F61 AromaticContact CE2-CD2 3.79Å; Y57-F61 HydrophobicContact CE2-CD2 3.79Å; Y57-F61 HydrophobicContact CE2-CG 4.28Å; Y57-F61 HydrophobicContact CG-CD2 4.24Å; Y57-F61 CarbonylContact O-C 3.54Å; Y57-F61 WeakPolarHBondContact O-CA 3.49Å; Y57-F61 VanDerWaalsContact O-CB 3.31Å; Y57-F61 WeakPolarHBondContact O-CB 3.21Å; Y57-F61 PolarHBondContact O-N 2.67Å; Y57-V62 PolarHBondContact O-N 3.13Å
58	R	87	Confident	86.7	Confident	121 Å²	121	59.4 Å²	59.4	46%	0.457	29%	0.294	S	S	.	.	H	α-helix	trans	-63.7	-55	170.4	-73.7	170.6	-179.7	-164.5	-2.1	111.2	Q54 D55 D56 Y60 V62	Q54-R58 WeakPolarHBondContact O-CD 3.38Å; Q54-R58 VanDerWaalsContact O-CG 3.25Å; Q54-R58 WeakPolarHBondContact O-CG 3.14Å; Q54-R58 PolarHBondContact O-N 2.82Å; D55-R58 PolarHBondContact O-N 3.5Å; D56-R58 VanDerWaalsContact C-N 3.28Å; D56-R58 PolarHBondContact O-N 3.14Å; R58-Y60 PolarHBondContact O-N 3.4Å; R58-V62 HydrophobicContact CB-CG2 4.31Å; R58-V62 HydrophobicContact CG-CG2 4.11Å; R58-V62 WeakPolarHBondContact O-CB 3.47Å; R58-V62 PolarHBondContact O-N 3.45Å
59	R	84.7	Confident	86.7	Confident	167 Å²	167	57.1 Å²	57.1	63%	0.63	29%	0.289	S	S	*	.	H	α-helix	trans	-54.2	-48.1	-178.2	-70.8	162.2	172	179.3	-7.8	113.5	D55 D56	D55-R59 WeakPolarHBondContact O-CD 3.49Å; D55-R59 VanDerWaalsContact O-CG 3.29Å; D55-R59 WeakPolarHBondContact O-CG 3.43Å; D55-R59 PolarHBondContact O-N 3.25Å; D56-R59 PolarHBondContact O-N 2.94Å; D56-R59 IonicContact OD1-NH1 2.63Å; D56-R59 PolarHBondContact OD1-NH1 3.13Å; D56-R59 VanDerWaalsContact OD1-NH1 3.15Å
60	Y	83.6	Confident	86.8	Confident	122 Å²	122	59.8 Å²	59.8	48%	0.478	28%	0.284	S	S	.	.	H	α-helix	trans	-93.7	-23	-173.3	-67.6	-77.2	0	0	0	114	E34 D56 R58 K327	E34-Y60 HydrophobicContact CB-CE2 4.22Å; E34-Y60 HydrophobicContact CG-CD2 4.12Å; E34-Y60 HydrophobicContact CG-CE2 3.88Å; D56-Y60 HydrophobicContact CB-CD2 4.09Å; D56-Y60 HydrophobicContact CB-CE2 4.34Å; D56-Y60 WeakPolarHBondContact O-CB 3.45Å; D56-Y60 VanDerWaalsContact O-CD2 3.29Å; D56-Y60 WeakPolarHBondContact O-CD2 3.44Å; D56-Y60 PolarHBondContact O-N 3.04Å; R58-Y60 PolarHBondContact O-N 3.4Å; Y60-K327 WeakPolarHBondContact O-CE 3.28Å; Y60-K327 PolarHBondContact O-NZ 3.04Å
61	F	84.3	Confident	86.8	Confident	20 Å²	20	61.3 Å²	61.3	9%	0.088	29%	0.289	C	S	.	.	H	α-helix	trans	-130.4	-8.2	-171.8	-51.8	-57.1	0	0	0	117.1	K47 Y52 Y57 K327	K47-F61 HydrophobicContact CB-CE2 4.44Å; K47-F61 HydrophobicContact CD-CB 4.4Å; K47-F61 HydrophobicContact CD-CD1 3.8Å; K47-F61 HydrophobicContact CD-CD2 3.96Å; K47-F61 HydrophobicContact CD-CE1 3.9Å; K47-F61 HydrophobicContact CD-CE2 4.06Å; K47-F61 HydrophobicContact CD-CG 3.79Å; K47-F61 HydrophobicContact CD-CZ 4.01Å; K47-F61 HydrophobicContact CG-CZ 4.47Å; Y52-F61 AromaticContact CD1-CE2 3.74Å; Y52-F61 HydrophobicContact CD1-CE2 3.74Å; Y52-F61 AromaticContact CD2-CE2 3.73Å; Y52-F61 HydrophobicContact CD2-CE2 3.73Å; Y52-F61 AromaticContact CE1-CE2 3.59Å; Y52-F61 HydrophobicContact CE1-CE2 3.59Å; Y52-F61 AromaticContact CE1-CZ 3.96Å; Y52-F61 HydrophobicContact CE1-CZ 3.96Å; Y52-F61 AromaticContact CE2-CE2 3.6Å; Y52-F61 HydrophobicContact CE2-CE2 3.6Å; Y52-F61 AromaticContact CE2-CZ 3.97Å; Y52-F61 HydrophobicContact CE2-CZ 3.97Å; Y52-F61 AromaticContact CG-CE2 3.82Å; Y52-F61 HydrophobicContact CG-CE2 3.82Å; Y52-F61 AromaticContact CZ-CE2 3.55Å; Y52-F61 AromaticContact CZ-CZ 3.67Å; Y57-F61 HydrophobicContact CD2-CB 4.17Å; Y57-F61 AromaticContact CD2-CD2 3.43Å; Y57-F61 HydrophobicContact CD2-CD2 3.43Å; Y57-F61 VanDerWaalsContact CD2-CD2 3.43Å; Y57-F61 HydrophobicContact CD2-CE2 4.24Å; Y57-F61 HydrophobicContact CD2-CG 4.25Å; Y57-F61 HydrophobicContact CE2-CB 4.03Å; Y57-F61 AromaticContact CE2-CD2 3.79Å; Y57-F61 HydrophobicContact CE2-CD2 3.79Å; Y57-F61 HydrophobicContact CE2-CG 4.28Å; Y57-F61 HydrophobicContact CG-CD2 4.24Å; Y57-F61 CarbonylContact O-C 3.54Å; Y57-F61 WeakPolarHBondContact O-CA 3.49Å; Y57-F61 VanDerWaalsContact O-CB 3.31Å; Y57-F61 WeakPolarHBondContact O-CB 3.21Å; Y57-F61 PolarHBondContact O-N 2.67Å; F61-K327 WeakPolarHBondContact O-CG 3.44Å
62	V	84	Confident	86.5	Confident	14 Å²	14	60.7 Å²	60.7	9%	0.085	29%	0.287	C	S	.	.	S	Bend	trans	-75.8	144.8	163.5	171.6	0	0	0	0	109.5	Y57 R58 D71	Y57-V62 PolarHBondContact O-N 3.13Å; R58-V62 HydrophobicContact CB-CG2 4.31Å; R58-V62 HydrophobicContact CG-CG2 4.11Å; R58-V62 WeakPolarHBondContact O-CB 3.47Å; R58-V62 PolarHBondContact O-N 3.45Å; V62-D71 HydrophobicContact CG1-CB 3.76Å
63	A	83.1	Confident	85.9	Confident	20 Å²	20	64.1 Å²	64.1	17%	0.165	31%	0.311	C	S	.	.			trans	-79.5	136.3	171.9	0	0	0	0	0	109.4	L72	A63-L72 HydrophobicContact CB-CD1 3.88Å; A63-L72 VanDerWaalsContact O-CB 3.27Å; A63-L72 WeakPolarHBondContact O-CB 3.44Å; A63-L72 WeakPolarHBondContact O-CG 3.37Å; A63-L72 PolarHBondContact O-N 3.48Å
64	K	87.2	Confident	85.2	Confident	99 Å²	99	65.4 Å²	65.4	43%	0.43	33%	0.326	S	S	.	.	B	Isolated β-bridge	trans	-110.5	150.9	-177.4	-70.7	171.6	175.3	-78	0	111.3	E70 D71	K64-E70 VanDerWaalsContact CA-O 3.31Å; K64-E70 WeakPolarHBondContact CA-O 3.23Å; K64-D71 WeakPolarHBondContact CE-OD1 3.34Å; K64-D71 IonicContact NZ-OD1 2.66Å; K64-D71 PolarHBondContact NZ-OD1 2.69Å
65	C	89.4	Confident	84.8	Confident	2 Å²	2	64.3 Å²	64.3	1%	0.014	32%	0.321	C	S	.	.			trans	-74	130.4	178.2	-179	0	0	0	0	111.3	I67 C68 S69 E70 L72 S83 H85	C65-I67 PolarHBondContact O-N 2.93Å; C65-I67 VanDerWaalsContact O-N 3.11Å; C65-C68 VanDerWaalsContact CB-SG 3.54Å; C65-C68 VanDerWaalsContact SG-SG 3.7Å; C65-S69 VanDerWaalsContact O-CA 3.23Å; C65-S69 WeakPolarHBondContact O-CA 3.4Å; C65-S69 PolarHBondContact O-N 3.22Å; C65-E70 PolarHBondContact N-O 3.16Å; C65-L72 HydrophobicContact CB-CD2 3.8Å; C65-L72 HydrophobicContact CB-CG 4.39Å; C65-S83 WeakPolarHBondContact CA-O 3.27Å; C65-H85 VanDerWaalsContact CB-CE1 3.44Å; C65-H85 WeakPolarHBondContact CB-CE1 3.2Å; C65-H85 VanDerWaalsContact CB-ND1 3.26Å; C65-H85 WeakPolarHBondContact CB-ND1 3.35Å
66	K	84.4	Confident	84.7	Confident	86 Å²	86	61.5 Å²	61.5	37%	0.374	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-20.1	178	-175.1	174.5	-177.2	-179.8	0	113.5	F82 F84 E109	K66-F82 HydrophobicContact CB-CD1 4.45Å; K66-F82 HydrophobicContact CD-CB 4.4Å; K66-F82 HydrophobicContact CD-CD1 3.7Å; K66-F82 HydrophobicContact CD-CD2 3.86Å; K66-F82 HydrophobicContact CD-CE1 3.83Å; K66-F82 HydrophobicContact CD-CE2 3.99Å; K66-F82 HydrophobicContact CD-CG 3.71Å; K66-F82 HydrophobicContact CD-CZ 3.97Å; K66-F82 HydrophobicContact CG-CD1 4.5Å; K66-F82 VanDerWaalsContact NZ-CE2 3.29Å; K66-F84 HydrophobicContact CB-CD1 4.44Å; K66-F84 HydrophobicContact CB-CE1 3.82Å; K66-F84 HydrophobicContact CB-CZ 4.38Å; K66-E109 IonicContact NZ-OE1 2.71Å; K66-E109 PolarHBondContact NZ-OE1 2.81Å; K66-E109 IonicContact NZ-OE2 3.27Å; K66-E109 PolarHBondContact NZ-OE2 2.92Å
67	I	84.1	Confident	84.3	Confident	92 Å²	92	62.5 Å²	62.5	47%	0.472	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	-44.3	-172.3	-66	171.7	0	0	0	112.8	C65 F84 C88	C65-I67 PolarHBondContact O-N 2.93Å; C65-I67 VanDerWaalsContact O-N 3.11Å; I67-F84 HydrophobicContact CD1-CD1 3.64Å; I67-F84 HydrophobicContact CD1-CE1 3.79Å; I67-F84 HydrophobicContact CG1-CD1 3.92Å; I67-F84 HydrophobicContact CG1-CE1 3.91Å; I67-C88 HydrophobicContact CB-CB 4.19Å; I67-C88 HydrophobicContact CD1-CB 4.26Å; I67-C88 WeakPolarHBondContact CD1-O 3.34Å; I67-C88 HydrophobicContact CG2-CB 4.38Å
68	C	87.8	Confident	84.1	Confident	46 Å²	46	63 Å²	63	31%	0.311	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	-6.8	178.4	59.4	0	0	0	0	114.5	C65 E70 H85	C65-C68 VanDerWaalsContact CB-SG 3.54Å; C65-C68 VanDerWaalsContact SG-SG 3.7Å; C68-E70 HydrophobicContact CB-CG 4.13Å; C68-E70 PolarHBondContact O-N 3.09Å; C68-E70 PolarHBondContact SG-OE2 3.23Å; C68-H85 VanDerWaalsContact SG-CE1 3.53Å
69	S	83.6	Confident	83.7	Confident	85 Å²	85	57.6 Å²	57.6	59%	0.594	30%	0.3	S	S	*	.			trans	61.9	1.1	-174.2	-54.4	0	0	0	0	116.4	C65	C65-S69 VanDerWaalsContact O-CA 3.23Å; C65-S69 WeakPolarHBondContact O-CA 3.4Å; C65-S69 PolarHBondContact O-N 3.22Å
70	E	85.1	Confident	83.3	Confident	118 Å²	118	55.2 Å²	55.2	55%	0.551	30%	0.299	S	S	*	.			trans	-72.3	158.1	175.8	-60.1	169.6	151.4	0	0	112.3	K64 C65 C68	K64-E70 VanDerWaalsContact CA-O 3.31Å; K64-E70 WeakPolarHBondContact CA-O 3.23Å; C65-E70 PolarHBondContact N-O 3.16Å; C68-E70 HydrophobicContact CB-CG 4.13Å; C68-E70 PolarHBondContact O-N 3.09Å; C68-E70 PolarHBondContact SG-OE2 3.23Å
71	D	85.2	Confident	83	Confident	44 Å²	44	56.6 Å²	56.6	24%	0.235	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-63	133.6	174.4	-73.6	9.3	0	0	0	110.7	V62 K64 T73 H85	V62-D71 HydrophobicContact CG1-CB 3.76Å; K64-D71 WeakPolarHBondContact CE-OD1 3.34Å; K64-D71 IonicContact NZ-OD1 2.66Å; K64-D71 PolarHBondContact NZ-OD1 2.69Å; D71-T73 PolarHBondContact O-N 2.94Å; D71-H85 PolarHBondContact O-NE2 3.42Å
72	L	83.5	Confident	83	Confident	11 Å²	11	59.3 Å²	59.3	6%	0.058	33%	0.327	C	S	.	.			trans	-77.2	111.5	-179.1	-71.3	166.1	0	0	0	111.1	A63 C65 V76 F84	A63-L72 HydrophobicContact CB-CD1 3.88Å; A63-L72 VanDerWaalsContact O-CB 3.27Å; A63-L72 WeakPolarHBondContact O-CB 3.44Å; A63-L72 WeakPolarHBondContact O-CG 3.37Å; A63-L72 PolarHBondContact O-N 3.48Å; C65-L72 HydrophobicContact CB-CD2 3.8Å; C65-L72 HydrophobicContact CB-CG 4.39Å; L72-V76 HydrophobicContact CB-CG2 3.92Å; L72-V76 HydrophobicContact CD1-CG1 4.13Å; L72-V76 HydrophobicContact CD2-CG1 4.24Å; L72-V76 HydrophobicContact CD2-CG2 4.32Å; L72-F84 VanDerWaalsContact CD2-C 3.45Å
73	T	79.7	Confident	83	Confident	101 Å²	101	59.5 Å²	59.5	62%	0.62	33%	0.329	S	S	*	.			trans	-117.8	144.5	-178.7	53.1	0	0	0	0	111.1	D71	D71-T73 PolarHBondContact O-N 2.94Å
74	G	77	Confident	83.3	Confident	36 Å²	36	58.6 Å²	58.6	37%	0.371	32%	0.321	S	S	.	.	S	Bend	trans	71.4	-128.9	178	0	0	0	0	0	113.9
75	E	79.1	Confident	83.4	Confident	60 Å²	60	55.2 Å²	55.2	28%	0.28	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	118.8	-175.5	-64.1	-170.2	96.4	0	0	111.9	R86 S319 F321	E75-R86 VanDerWaalsContact CD-NH1 3.33Å; E75-R86 IonicContact OE1-CZ 2.68Å; E75-R86 IonicContact OE1-NH1 3.95Å; E75-R86 IonicContact OE1-NH2 2.71Å; E75-R86 PolarHBondContact OE1-NH2 3.24Å; E75-R86 IonicContact OE2-CZ 2.7Å; E75-R86 IonicContact OE2-NE 3.99Å; E75-R86 IonicContact OE2-NH1 2.68Å; E75-R86 PolarHBondContact OE2-NH1 3.4Å; E75-R86 IonicContact OE2-NH2 2.64Å; E75-R86 PolarHBondContact OE2-NH2 3.45Å; E75-S319 WeakPolarHBondContact OE1-CB 3.45Å; E75-S319 PolarHBondContact OE1-OG 2.82Å; E75-F321 HydrophobicContact CG-CD2 4.13Å; E75-F321 HydrophobicContact CG-CE2 3.61Å; E75-F321 HydrophobicContact CG-CZ 3.83Å
76	V	85.6	Confident	83.2	Confident	12 Å²	12	60.4 Å²	60.4	7%	0.073	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	134.4	-171.6	177.3	0	0	0	0	111.3	L72 T78 L322	L72-V76 HydrophobicContact CB-CG2 3.92Å; L72-V76 HydrophobicContact CD1-CG1 4.13Å; L72-V76 HydrophobicContact CD2-CG1 4.24Å; L72-V76 HydrophobicContact CD2-CG2 4.32Å; V76-T78 HydrophobicContact CG1-CG2 4.25Å; V76-L322 HydrophobicContact CB-CD1 4.14Å; V76-L322 HydrophobicContact CB-CG 4.31Å; V76-L322 HydrophobicContact CG1-CD1 4.15Å; V76-L322 HydrophobicContact CG2-CD1 3.98Å; V76-L322 HydrophobicContact CG2-CG 4.17Å
77	V	83.7	Confident	83.2	Confident	25 Å²	25	58.8 Å²	58.8	15%	0.152	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	125.7	168.7	-174.4	0	0	0	0	108.2	S83 F84 R86 F89 L313	V77-S83 CarbonylContact O-C 3.52Å; V77-S83 WeakPolarHBondContact O-CA 3.39Å; V77-F84 PolarHBondContact N-O 2.95Å; V77-F84 PolarHBondContact O-N 3.04Å; V77-R86 HydrophobicContact CG2-CG 3.91Å; V77-F89 HydrophobicContact CB-CB 4.22Å; V77-F89 HydrophobicContact CB-CD1 4.41Å; V77-F89 HydrophobicContact CB-CG 4.19Å; V77-F89 HydrophobicContact CG1-CB 4.4Å; V77-F89 HydrophobicContact CG1-CD1 3.72Å; V77-F89 HydrophobicContact CG1-CD2 4.23Å; V77-F89 HydrophobicContact CG1-CE1 4.06Å; V77-F89 HydrophobicContact CG1-CG 3.83Å; V77-F89 HydrophobicContact CG1-CZ 4.45Å; V77-F89 HydrophobicContact CG2-CB 4.31Å; V77-L313 HydrophobicContact CG1-CD2 4.35Å
78	T	84.3	Confident	83.3	Confident	42 Å²	42	55.3 Å²	55.3	26%	0.258	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	120.3	171.5	71.1	0	0	0	0	109.4	V76 F82 S83 R320 F328	V76-T78 HydrophobicContact CG1-CG2 4.25Å; T78-F82 CarbonylContact C-O 3.55Å; T78-F82 VanDerWaalsContact CA-O 3.29Å; T78-F82 WeakPolarHBondContact CA-O 3.43Å; T78-S83 WeakPolarHBondContact CG2-OG 3.27Å; T78-R320 PolarHBondContact OG1-NH1 2.92Å; T78-R320 PolarHBondContact OG1-NH2 2.94Å; T78-F328 HydrophobicContact CG2-CE2 4.48Å
79	A	77.8	Confident	83.3	Confident	7 Å²	7	53.2 Å²	53.2	6%	0.058	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	128.2	176.7	0	0	0	0	0	109.3	N81 F82 F84 F89 F111 F311	A79-N81 PolarHBondContact O-N 3.32Å; A79-F82 PolarHBondContact N-O 3.15Å; A79-F82 PolarHBondContact O-N 2.87Å; A79-F84 HydrophobicContact CB-CE2 4.13Å; A79-F89 HydrophobicContact CB-CE2 3.6Å; A79-F89 HydrophobicContact CB-CZ 3.89Å; A79-F111 HydrophobicContact CB-CE1 3.81Å; A79-F111 HydrophobicContact CB-CZ 4.24Å; A79-F311 HydrophobicContact CB-CE2 4.2Å; A79-F311 HydrophobicContact CB-CZ 4.41Å
80	L	77.2	Confident	83.7	Confident	117 Å²	117	53.8 Å²	53.8	61%	0.613	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	-121.6	-167.4	-52.4	175.2	0	0	0	109.8	V106	L80-V106 HydrophobicContact CD1-CB 4.38Å; L80-V106 HydrophobicContact CD1-CG1 4.1Å; L80-V106 HydrophobicContact CD1-CG2 4.14Å
81	N	77.6	Confident	83.9	Confident	152 Å²	152	48.3 Å²	48.3	81%	0.813	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	0.3	178.4	-64.7	-17.4	0	0	0	113.8	A79	A79-N81 PolarHBondContact O-N 3.32Å
82	F	83	Confident	84.1	Confident	76 Å²	76	50.6 Å²	50.6	33%	0.333	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	150.9	-174.2	-61.8	-63.3	0	0	0	112	K66 T78 A79 F84 E109	K66-F82 HydrophobicContact CB-CD1 4.45Å; K66-F82 HydrophobicContact CD-CB 4.4Å; K66-F82 HydrophobicContact CD-CD1 3.7Å; K66-F82 HydrophobicContact CD-CD2 3.86Å; K66-F82 HydrophobicContact CD-CE1 3.83Å; K66-F82 HydrophobicContact CD-CE2 3.99Å; K66-F82 HydrophobicContact CD-CG 3.71Å; K66-F82 HydrophobicContact CD-CZ 3.97Å; K66-F82 HydrophobicContact CG-CD1 4.5Å; K66-F82 VanDerWaalsContact NZ-CE2 3.29Å; T78-F82 CarbonylContact C-O 3.55Å; T78-F82 VanDerWaalsContact CA-O 3.29Å; T78-F82 WeakPolarHBondContact CA-O 3.43Å; A79-F82 PolarHBondContact N-O 3.15Å; A79-F82 PolarHBondContact O-N 2.87Å; F82-F84 HydrophobicContact CB-CE1 4.43Å; F82-F84 HydrophobicContact CB-CE2 3.54Å; F82-F84 HydrophobicContact CB-CZ 3.48Å; F82-F84 VanDerWaalsContact CB-CZ 3.48Å; F82-F84 HydrophobicContact CG-CZ 4.44Å; F82-E109 WeakPolarHBondContact CE2-OE1 3.3Å
83	S	85.5	Confident	84.2	Confident	19 Å²	19	55 Å²	55	13%	0.133	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	142.5	180	-59	0	0	0	0	110.1	C65 V77 T78	C65-S83 WeakPolarHBondContact CA-O 3.27Å; V77-S83 CarbonylContact O-C 3.52Å; V77-S83 WeakPolarHBondContact O-CA 3.39Å; T78-S83 WeakPolarHBondContact CG2-OG 3.27Å
84	F	87.6	Confident	84.7	Confident	1 Å²	1	52.2 Å²	52.2	0%	0.004	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	145.1	-169.2	-51.9	-92.5	0	0	0	110.5	K66 I67 L72 V77 A79 F82 F89 F111	K66-F84 HydrophobicContact CB-CD1 4.44Å; K66-F84 HydrophobicContact CB-CE1 3.82Å; K66-F84 HydrophobicContact CB-CZ 4.38Å; I67-F84 HydrophobicContact CD1-CD1 3.64Å; I67-F84 HydrophobicContact CD1-CE1 3.79Å; I67-F84 HydrophobicContact CG1-CD1 3.92Å; I67-F84 HydrophobicContact CG1-CE1 3.91Å; L72-F84 VanDerWaalsContact CD2-C 3.45Å; V77-F84 PolarHBondContact N-O 2.95Å; V77-F84 PolarHBondContact O-N 3.04Å; A79-F84 HydrophobicContact CB-CE2 4.13Å; F82-F84 HydrophobicContact CB-CE1 4.43Å; F82-F84 HydrophobicContact CB-CE2 3.54Å; F82-F84 HydrophobicContact CB-CZ 3.48Å; F82-F84 VanDerWaalsContact CB-CZ 3.48Å; F82-F84 HydrophobicContact CG-CZ 4.44Å; F84-F89 HydrophobicContact CB-CB 4.11Å; F84-F89 HydrophobicContact CB-CD2 4.33Å; F84-F89 AromaticContact CD2-CD2 3.76Å; F84-F89 HydrophobicContact CD2-CD2 3.76Å; F84-F89 HydrophobicContact CD2-CE2 4.28Å; F84-F89 HydrophobicContact CE2-CD2 4.18Å; F84-F89 HydrophobicContact CE2-CE2 4.32Å; F84-F89 AromaticContact CG-CD2 4Å; F84-F89 HydrophobicContact CG-CD2 4Å; F84-F111 AromaticContact CE1-CE2 3.96Å; F84-F111 HydrophobicContact CE1-CE2 3.96Å; F84-F111 HydrophobicContact CE1-CZ 4.45Å; F84-F111 HydrophobicContact CE2-CE2 4.17Å; F84-F111 AromaticContact CE2-CZ 3.87Å; F84-F111 HydrophobicContact CE2-CZ 3.87Å; F84-F111 AromaticContact CZ-CE2 3.47Å; F84-F111 HydrophobicContact CZ-CE2 3.47Å; F84-F111 VanDerWaalsContact CZ-CE2 3.47Å; F84-F111 AromaticContact CZ-CZ 3.54Å; F84-F111 HydrophobicContact CZ-CZ 3.54Å
85	H	89.3	Confident	85.2	Confident	27 Å²	27	54.4 Å²	54.4	13%	0.125	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	151.1	163.6	-48.8	82.2	0	0	0	109.7	C65 C68 D71 G87 C88 F89	C65-H85 VanDerWaalsContact CB-CE1 3.44Å; C65-H85 WeakPolarHBondContact CB-CE1 3.2Å; C65-H85 VanDerWaalsContact CB-ND1 3.26Å; C65-H85 WeakPolarHBondContact CB-ND1 3.35Å; C68-H85 VanDerWaalsContact SG-CE1 3.53Å; D71-H85 PolarHBondContact O-NE2 3.42Å; H85-G87 VanDerWaalsContact C-N 3.26Å; H85-G87 PolarHBondContact O-N 2.85Å; H85-C88 HydrophobicContact CB-CB 4.42Å; H85-C88 WeakPolarHBondContact O-CB 3.13Å; H85-C88 PolarHBondContact O-N 3.23Å; H85-F89 PolarHBondContact O-N 2.78Å; H85-F89 VanDerWaalsContact O-N 3.15Å
86	R	85.3	Confident	85.5	Confident	111 Å²	111	56.9 Å²	56.9	42%	0.419	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-38.7	178.1	-80.9	-175.2	168.6	173.5	10.9	114.3	E75 V77 C88	E75-R86 VanDerWaalsContact CD-NH1 3.33Å; E75-R86 IonicContact OE1-CZ 2.68Å; E75-R86 IonicContact OE1-NH1 3.95Å; E75-R86 IonicContact OE1-NH2 2.71Å; E75-R86 PolarHBondContact OE1-NH2 3.24Å; E75-R86 IonicContact OE2-CZ 2.7Å; E75-R86 IonicContact OE2-NE 3.99Å; E75-R86 IonicContact OE2-NH1 2.68Å; E75-R86 PolarHBondContact OE2-NH1 3.4Å; E75-R86 IonicContact OE2-NH2 2.64Å; E75-R86 PolarHBondContact OE2-NH2 3.45Å; V77-R86 HydrophobicContact CG2-CG 3.91Å; R86-C88 VanDerWaalsContact C-N 3.34Å
87	G	84.9	Confident	85.6	Confident	52 Å²	52	59.6 Å²	59.6	54%	0.536	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-23	176.7	0	0	0	0	0	114.5	H85	H85-G87 VanDerWaalsContact C-N 3.26Å; H85-G87 PolarHBondContact O-N 2.85Å
88	C	87.3	Confident	85.7	Confident	20 Å²	20	59.4 Å²	59.4	14%	0.135	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-29.9	176.7	-61.2	0	0	0	0	112.2	I67 H85 R86 K90	I67-C88 HydrophobicContact CB-CB 4.19Å; I67-C88 HydrophobicContact CD1-CB 4.26Å; I67-C88 WeakPolarHBondContact CD1-O 3.34Å; I67-C88 HydrophobicContact CG2-CB 4.38Å; H85-C88 HydrophobicContact CB-CB 4.42Å; H85-C88 WeakPolarHBondContact O-CB 3.13Å; H85-C88 PolarHBondContact O-N 3.23Å; R86-C88 VanDerWaalsContact C-N 3.34Å; C88-K90 VanDerWaalsContact C-N 3.35Å; C88-K90 PolarHBondContact O-N 3.17Å
89	F	87.7	Confident	85.5	Confident	1 Å²	1	66.4 Å²	66.4	0%	0.004	34%	0.344	C	S	.	.			trans	-79	82	-177.3	-165	-104.9	0	0	0	111.5	V77 A79 F84 H85 F98 V104 F111 F311 L313	V77-F89 HydrophobicContact CB-CB 4.22Å; V77-F89 HydrophobicContact CB-CD1 4.41Å; V77-F89 HydrophobicContact CB-CG 4.19Å; V77-F89 HydrophobicContact CG1-CB 4.4Å; V77-F89 HydrophobicContact CG1-CD1 3.72Å; V77-F89 HydrophobicContact CG1-CD2 4.23Å; V77-F89 HydrophobicContact CG1-CE1 4.06Å; V77-F89 HydrophobicContact CG1-CG 3.83Å; V77-F89 HydrophobicContact CG1-CZ 4.45Å; V77-F89 HydrophobicContact CG2-CB 4.31Å; A79-F89 HydrophobicContact CB-CE2 3.6Å; A79-F89 HydrophobicContact CB-CZ 3.89Å; F84-F89 HydrophobicContact CB-CB 4.11Å; F84-F89 HydrophobicContact CB-CD2 4.33Å; F84-F89 AromaticContact CD2-CD2 3.76Å; F84-F89 HydrophobicContact CD2-CD2 3.76Å; F84-F89 HydrophobicContact CD2-CE2 4.28Å; F84-F89 HydrophobicContact CE2-CD2 4.18Å; F84-F89 HydrophobicContact CE2-CE2 4.32Å; F84-F89 AromaticContact CG-CD2 4Å; F84-F89 HydrophobicContact CG-CD2 4Å; H85-F89 PolarHBondContact O-N 2.78Å; H85-F89 VanDerWaalsContact O-N 3.15Å; F89-F98 HydrophobicContact CD1-CB 3.85Å; F89-F98 AromaticContact CD1-CD2 3.49Å; F89-F98 HydrophobicContact CD1-CD2 3.49Å; F89-F98 VanDerWaalsContact CD1-CD2 3.49Å; F89-F98 HydrophobicContact CD1-CE2 4.47Å; F89-F98 HydrophobicContact CD1-CG 4.11Å; F89-F98 HydrophobicContact CE1-CB 3.82Å; F89-F98 AromaticContact CE1-CD2 3.36Å; F89-F98 HydrophobicContact CE1-CD2 3.36Å; F89-F98 HydrophobicContact CE1-CE2 4.16Å; F89-F98 AromaticContact CE1-CG 3.88Å; F89-F98 HydrophobicContact CE1-CG 3.88Å; F89-F98 HydrophobicContact CG-CD2 4.25Å; F89-F98 HydrophobicContact CZ-CD2 4.05Å; F89-F98 HydrophobicContact CZ-CE2 4.43Å; F89-F98 WeakPolarHBondContact O-CD2 3.45Å; F89-F98 PolarHBondContact O-N 2.88Å; F89-F98 VanDerWaalsContact O-N 3.15Å; F89-V104 HydrophobicContact CE1-CG2 4.26Å; F89-V104 HydrophobicContact CZ-CG1 4.25Å; F89-V104 HydrophobicContact CZ-CG2 4.48Å; F89-F111 AromaticContact CE2-CD1 3.6Å; F89-F111 HydrophobicContact CE2-CD1 3.6Å; F89-F111 HydrophobicContact CE2-CD2 4.21Å; F89-F111 AromaticContact CE2-CE1 3.67Å; F89-F111 HydrophobicContact CE2-CE1 3.67Å; F89-F111 HydrophobicContact CE2-CE2 4.28Å; F89-F111 AromaticContact CE2-CG 3.89Å; F89-F111 HydrophobicContact CE2-CG 3.89Å; F89-F111 HydrophobicContact CE2-CZ 4.03Å; F89-F111 AromaticContact CZ-CD1 3.89Å; F89-F111 HydrophobicContact CZ-CD1 3.89Å; F89-F111 HydrophobicContact CZ-CE1 4.22Å; F89-F111 HydrophobicContact CZ-CG 4.36Å; F89-F311 HydrophobicContact CZ-CE2 4.49Å; F89-L313 HydrophobicContact CD1-CD2 4.21Å; F89-L313 HydrophobicContact CE1-CD1 3.92Å; F89-L313 HydrophobicContact CE1-CD2 3.81Å; F89-L313 HydrophobicContact CE1-CG 4.37Å; F89-L313 HydrophobicContact CZ-CD1 4.36Å
90	K	90.3	Very high	85.4	Confident	98 Å²	98	69.2 Å²	69.2	43%	0.426	36%	0.361	S	S	.	.	B	Isolated β-bridge	trans	-133.9	158.6	-173.6	68.3	-168.6	176	-176.8	0	113.2	C88 S95 I96 T97	C88-K90 VanDerWaalsContact C-N 3.35Å; C88-K90 PolarHBondContact O-N 3.17Å; K90-S95 WeakPolarHBondContact CB-O 3.32Å; K90-I96 CarbonylContact C-O 3.56Å; K90-I96 VanDerWaalsContact CA-O 3.3Å; K90-I96 WeakPolarHBondContact CA-O 3.45Å; K90-I96 WeakPolarHBondContact CB-O 3.47Å; K90-T97 HydrophobicContact CB-CG2 4.04Å
91	C	90.8	Very high	85.2	Confident	2 Å²	2	65 Å²	65	1%	0.014	35%	0.347	C	S	.	.			trans	-68.2	131.1	-179.8	178.5	0	0	0	0	112	K93 C94 S95 I96 F98 F111 C113	C91-K93 PolarHBondContact O-N 2.75Å; C91-K93 PolarHBondContact SG-N 3.3Å; C91-C94 VanDerWaalsContact CB-SG 3.55Å; C91-C94 VanDerWaalsContact SG-SG 3.66Å; C91-S95 WeakPolarHBondContact O-CA 3.34Å; C91-S95 PolarHBondContact O-N 3.29Å; C91-I96 PolarHBondContact N-O 3.48Å; C91-F98 HydrophobicContact CB-CE1 4.12Å; C91-F98 HydrophobicContact CB-CE2 4.36Å; C91-F98 HydrophobicContact CB-CZ 3.68Å; C91-F111 CarbonylContact C-O 3.55Å; C91-F111 WeakPolarHBondContact CA-O 3.39Å; C91-C113 HydrophobicContact CB-CB 4.41Å; C91-C113 PolarHBondContact SG-N 3.3Å
92	N	88	Confident	85.3	Confident	92 Å²	92	60.6 Å²	60.6	49%	0.492	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-16	-179.5	-159.7	114.8	0	0	0	113.8	K110 F111 Y112	N92-K110 HydrophobicContact CB-CB 4.21Å; N92-K110 WeakPolarHBondContact OD1-CD 3.27Å; N92-K110 WeakPolarHBondContact OD1-CG 3.32Å; N92-F111 PolarHBondContact N-O 2.79Å; N92-Y112 HydrophobicContact CB-CE1 4.05Å
93	K	87	Confident	85.3	Confident	105 Å²	105	63.7 Å²	63.7	46%	0.457	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-59.5	175.3	-96.8	-165.5	170	-165.9	0	112.9	C91 Y112 C116 Q119 V120	C91-K93 PolarHBondContact O-N 2.75Å; C91-K93 PolarHBondContact SG-N 3.3Å; K93-Y112 HydrophobicContact CG-CE1 4.28Å; K93-C116 HydrophobicContact CB-CB 3.77Å; K93-C116 HydrophobicContact CD-CB 4.25Å; K93-Q119 PolarHBondContact NZ-O 3.13Å; K93-V120 HydrophobicContact CD-CG2 3.86Å
94	C	90.2	Very high	85.2	Confident	42 Å²	42	62.8 Å²	62.8	28%	0.284	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-2.1	-175.1	62.3	0	0	0	0	115	C91 I96	C91-C94 VanDerWaalsContact CB-SG 3.55Å; C91-C94 VanDerWaalsContact SG-SG 3.66Å; C94-I96 HydrophobicContact CB-CD1 4.23Å; C94-I96 HydrophobicContact CB-CG1 4.22Å; C94-I96 PolarHBondContact O-N 3.49Å
95	S	87.4	Confident	85.1	Confident	81 Å²	81	63.2 Å²	63.2	57%	0.566	33%	0.328	S	S	*	.			trans	59.2	0.2	-177.5	78.1	0	0	0	0	117.2	K90 C91 T97	K90-S95 WeakPolarHBondContact CB-O 3.32Å; C91-S95 WeakPolarHBondContact O-CA 3.34Å; C91-S95 PolarHBondContact O-N 3.29Å; S95-T97 PolarHBondContact O-N 3.22Å
96	I	85.6	Confident	84.9	Confident	112 Å²	112	62.9 Å²	62.9	57%	0.574	33%	0.329	S	S	*	.	P	Polyproline II helix	trans	-61.4	132.3	174.1	-59.9	175	0	0	0	110	K90 C91 C94	K90-I96 CarbonylContact C-O 3.56Å; K90-I96 VanDerWaalsContact CA-O 3.3Å; K90-I96 WeakPolarHBondContact CA-O 3.45Å; K90-I96 WeakPolarHBondContact CB-O 3.47Å; C91-I96 PolarHBondContact N-O 3.48Å; C94-I96 HydrophobicContact CB-CD1 4.23Å; C94-I96 HydrophobicContact CB-CG1 4.22Å; C94-I96 PolarHBondContact O-N 3.49Å
97	T	86.8	Confident	84.7	Confident	70 Å²	70	60.7 Å²	60.7	43%	0.429	32%	0.32	S	S	.	.	B	Isolated β-bridge	trans	-73.3	137.9	173.4	42.7	0	0	0	0	111.4	K90 S95	K90-T97 HydrophobicContact CB-CG2 4.04Å; S95-T97 PolarHBondContact O-N 3.22Å
98	F	86	Confident	84.2	Confident	21 Å²	21	64.9 Å²	64.9	9%	0.092	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-80.4	136.3	-178.7	-57.8	-74.9	0	0	0	111.7	F89 C91 D102 V104 F111 C113 L313	F89-F98 HydrophobicContact CD1-CB 3.85Å; F89-F98 AromaticContact CD1-CD2 3.49Å; F89-F98 HydrophobicContact CD1-CD2 3.49Å; F89-F98 VanDerWaalsContact CD1-CD2 3.49Å; F89-F98 HydrophobicContact CD1-CE2 4.47Å; F89-F98 HydrophobicContact CD1-CG 4.11Å; F89-F98 HydrophobicContact CE1-CB 3.82Å; F89-F98 AromaticContact CE1-CD2 3.36Å; F89-F98 HydrophobicContact CE1-CD2 3.36Å; F89-F98 HydrophobicContact CE1-CE2 4.16Å; F89-F98 AromaticContact CE1-CG 3.88Å; F89-F98 HydrophobicContact CE1-CG 3.88Å; F89-F98 HydrophobicContact CG-CD2 4.25Å; F89-F98 HydrophobicContact CZ-CD2 4.05Å; F89-F98 HydrophobicContact CZ-CE2 4.43Å; F89-F98 WeakPolarHBondContact O-CD2 3.45Å; F89-F98 PolarHBondContact O-N 2.88Å; F89-F98 VanDerWaalsContact O-N 3.15Å; C91-F98 HydrophobicContact CB-CE1 4.12Å; C91-F98 HydrophobicContact CB-CE2 4.36Å; C91-F98 HydrophobicContact CB-CZ 3.68Å; F98-D102 WeakPolarHBondContact CA-OD2 3.29Å; F98-D102 HydrophobicContact CB-CB 4.41Å; F98-V104 HydrophobicContact CB-CG2 4.18Å; F98-V104 HydrophobicContact CD1-CG2 3.44Å; F98-V104 VanDerWaalsContact CD1-CG2 3.44Å; F98-V104 HydrophobicContact CD2-CG2 4.06Å; F98-V104 HydrophobicContact CE1-CB 4.45Å; F98-V104 HydrophobicContact CE1-CG1 4.21Å; F98-V104 HydrophobicContact CE1-CG2 3.63Å; F98-V104 HydrophobicContact CE2-CG1 4.05Å; F98-V104 HydrophobicContact CE2-CG2 4.23Å; F98-V104 HydrophobicContact CG-CG2 3.64Å; F98-V104 HydrophobicContact CZ-CG1 3.83Å; F98-V104 HydrophobicContact CZ-CG2 4.02Å; F98-F111 HydrophobicContact CE2-CB 3.83Å; F98-F111 HydrophobicContact CZ-CB 4.21Å; F98-C113 HydrophobicContact CE1-CB 3.74Å; F98-L313 HydrophobicContact CB-CD2 4.19Å
99	R	80.2	Confident	83.7	Confident	189 Å²	189	69.7 Å²	69.7	71%	0.713	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-84.2	153	174	-63.1	-177.1	177.7	-129.1	-1.6	110.7	G101 D102 L313	R99-G101 PolarHBondContact O-N 2.9Å; R99-D102 PolarHBondContact N-OD2 2.78Å; R99-D102 VanDerWaalsContact O-CB 3.28Å; R99-D102 WeakPolarHBondContact O-CB 3.46Å; R99-D102 PolarHBondContact O-N 3.33Å; R99-L313 WeakPolarHBondContact O-CD2 3.36Å
100	P	75.3	Confident	83.5	Confident	66 Å²	66	74.1 Å²	74.1	43%	0.429	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	136.7	163.7	26.9	-34	0	0	0	109.5	P314	P100-P314 VanDerWaalsContact CB-O 3.26Å; P100-P314 WeakPolarHBondContact CB-O 3.43Å
101	G	73.4	Confident	83.4	Confident	29 Å²	29	70.3 Å²	70.3	30%	0.299	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.2	-23.4	-169.8	0	0	0	0	0	115	R99 L313	R99-G101 PolarHBondContact O-N 2.9Å; G101-L313 VanDerWaalsContact CA-O 3.25Å; G101-L313 WeakPolarHBondContact CA-O 3.32Å; G101-L313 PolarHBondContact N-O 3.4Å
102	D	80	Confident	83.3	Confident	58 Å²	58	71 Å²	71	31%	0.31	35%	0.352	S	S	.	.			trans	-62.5	142.8	-177.7	-77.9	-9.1	0	0	0	112.4	F98 R99 L313	F98-D102 WeakPolarHBondContact CA-OD2 3.29Å; F98-D102 HydrophobicContact CB-CB 4.41Å; R99-D102 PolarHBondContact N-OD2 2.78Å; R99-D102 VanDerWaalsContact O-CB 3.28Å; R99-D102 WeakPolarHBondContact O-CB 3.46Å; R99-D102 PolarHBondContact O-N 3.33Å; D102-L313 PolarHBondContact O-N 3.1Å
103	R	81.7	Confident	83.4	Confident	141 Å²	141	67.7 Å²	67.7	53%	0.532	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	124.5	165.6	-80.8	-177	-77.8	-139.1	-0.1	109.7	P114 H312	R103-P114 HydrophobicContact CB-CG 3.9Å; R103-P114 VanDerWaalsContact O-CD 3.29Å; R103-P114 WeakPolarHBondContact O-CD 3.4Å; R103-P114 WeakPolarHBondContact O-CG 3.43Å; R103-H312 WeakPolarHBondContact CD-NE2 3.29Å; R103-H312 WeakPolarHBondContact CG-CE1 3.5Å; R103-H312 WeakPolarHBondContact CG-NE2 3.41Å
104	V	84.9	Confident	83.3	Confident	1 Å²	1	66 Å²	66	1%	0.006	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	142.4	176.9	-177.8	0	0	0	0	109.1	F89 F98 F111 F311 L313	F89-V104 HydrophobicContact CE1-CG2 4.26Å; F89-V104 HydrophobicContact CZ-CG1 4.25Å; F89-V104 HydrophobicContact CZ-CG2 4.48Å; F98-V104 HydrophobicContact CB-CG2 4.18Å; F98-V104 HydrophobicContact CD1-CG2 3.44Å; F98-V104 VanDerWaalsContact CD1-CG2 3.44Å; F98-V104 HydrophobicContact CD2-CG2 4.06Å; F98-V104 HydrophobicContact CE1-CB 4.45Å; F98-V104 HydrophobicContact CE1-CG1 4.21Å; F98-V104 HydrophobicContact CE1-CG2 3.63Å; F98-V104 HydrophobicContact CE2-CG1 4.05Å; F98-V104 HydrophobicContact CE2-CG2 4.23Å; F98-V104 HydrophobicContact CG-CG2 3.64Å; F98-V104 HydrophobicContact CZ-CG1 3.83Å; F98-V104 HydrophobicContact CZ-CG2 4.02Å; V104-F111 HydrophobicContact CG1-CB 4.03Å; V104-F111 HydrophobicContact CG1-CD1 3.98Å; V104-F311 HydrophobicContact CB-CD2 4.31Å; V104-F311 HydrophobicContact CB-CE2 3.74Å; V104-F311 HydrophobicContact CB-CZ 3.87Å; V104-F311 HydrophobicContact CG1-CE1 4.45Å; V104-F311 HydrophobicContact CG1-CE2 4.03Å; V104-F311 HydrophobicContact CG1-CZ 3.71Å; V104-F311 PolarHBondContact N-O 3.14Å; V104-F311 PolarHBondContact O-N 2.67Å; V104-L313 HydrophobicContact CB-CD1 4.2Å; V104-L313 HydrophobicContact CG2-CD1 3.55Å
105	T	84.6	Confident	83	Confident	9 Å²	9	70.3 Å²	70.3	6%	0.055	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	137.6	173.3	40.2	0	0	0	0	109.9	F111 Y112 I117 R309 Q310	T105-F111 WeakPolarHBondContact O-CA 3.48Å; T105-Y112 PolarHBondContact N-O 3.42Å; T105-Y112 PolarHBondContact O-N 2.96Å; T105-Y112 WeakPolarHBondContact OG1-CB 3.48Å; T105-Y112 PolarHBondContact OG1-O 3.24Å; T105-I117 HydrophobicContact CG2-CB 4.48Å; T105-I117 HydrophobicContact CG2-CG1 4.1Å; T105-I117 HydrophobicContact CG2-CG2 4.28Å; T105-I117 VanDerWaalsContact OG1-CB 3.3Å; T105-I117 WeakPolarHBondContact OG1-CB 3.46Å; T105-I117 WeakPolarHBondContact OG1-CG1 3.49Å; T105-R309 VanDerWaalsContact CA-O 3.32Å; T105-R309 WeakPolarHBondContact CA-O 3.35Å; T105-Q310 HydrophobicContact CG2-CB 4.38Å; T105-Q310 HydrophobicContact CG2-CG 3.65Å
106	V	85	Confident	83	Confident	21 Å²	21	66.8 Å²	66.8	13%	0.127	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	130.5	167.8	161.1	0	0	0	0	110	L80 K110 F111 R309 F311	L80-V106 HydrophobicContact CD1-CB 4.38Å; L80-V106 HydrophobicContact CD1-CG1 4.1Å; L80-V106 HydrophobicContact CD1-CG2 4.14Å; V106-K110 WeakPolarHBondContact CA-O 3.36Å; V106-F111 HydrophobicContact CG2-CD1 3.35Å; V106-F111 HydrophobicContact CG2-CE1 3.3Å; V106-F111 HydrophobicContact CG2-CG 4.28Å; V106-F111 HydrophobicContact CG2-CZ 4.19Å; V106-R309 PolarHBondContact N-O 3.03Å; V106-R309 PolarHBondContact O-N 3.35Å; V106-F311 HydrophobicContact CB-CE1 4.04Å; V106-F311 HydrophobicContact CG2-CE1 3.55Å; V106-F311 HydrophobicContact CG2-CZ 3.8Å
107	W	81	Confident	82.9	Confident	65 Å²	65	62 Å²	62	25%	0.246	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	123.7	174.1	-179.5	-62.5	0	0	0	107	E109 K110 Y112 I117 V120 C121 P308	W107-E109 PolarHBondContact O-N 2.97Å; W107-K110 PolarHBondContact N-O 2.94Å; W107-K110 VanDerWaalsContact N-O 3.09Å; W107-K110 WeakPolarHBondContact O-CB 3.37Å; W107-K110 PolarHBondContact O-N 2.93Å; W107-Y112 HydrophobicContact CB-CD2 4.13Å; W107-Y112 HydrophobicContact CB-CE2 3.88Å; W107-I117 HydrophobicContact CB-CD1 4.36Å; W107-I117 HydrophobicContact CE3-CD1 4.11Å; W107-V120 HydrophobicContact CD2-CG1 4.38Å; W107-C121 HydrophobicContact CZ3-CB 4.47Å; W107-C121 WeakPolarHBondContact CZ3-SG 3.49Å; W107-P308 HydrophobicContact CE3-CB 3.91Å; W107-P308 HydrophobicContact CE3-CG 4.32Å; W107-P308 HydrophobicContact CZ3-CB 4.27Å; W107-P308 HydrophobicContact CZ3-CG 4.17Å
108	Q	75.9	Confident	82.6	Confident	139 Å²	139	63.6 Å²	63.6	65%	0.65	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.7	53.5	-179.3	-63.4	169	-9.8	0	0	113.6	K110	Q108-K110 PolarHBondContact O-N 3.33Å
109	E	76.4	Confident	82.2	Confident	122 Å²	122	66.7 Å²	66.7	57%	0.57	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.9	-0.5	-175	-56.2	-150.8	108.8	0	0	117.3	K66 F82 W107	K66-E109 IonicContact NZ-OE1 2.71Å; K66-E109 PolarHBondContact NZ-OE1 2.81Å; K66-E109 IonicContact NZ-OE2 3.27Å; K66-E109 PolarHBondContact NZ-OE2 2.92Å; F82-E109 WeakPolarHBondContact CE2-OE1 3.3Å; W107-E109 PolarHBondContact O-N 2.97Å
110	K	84.1	Confident	81.8	Confident	94 Å²	94	59.2 Å²	59.2	41%	0.409	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	150.8	179.4	-68	168	179.1	169.4	0	111.2	N92 V106 W107 Q108 Y112	N92-K110 HydrophobicContact CB-CB 4.21Å; N92-K110 WeakPolarHBondContact OD1-CD 3.27Å; N92-K110 WeakPolarHBondContact OD1-CG 3.32Å; V106-K110 WeakPolarHBondContact CA-O 3.36Å; W107-K110 PolarHBondContact N-O 2.94Å; W107-K110 VanDerWaalsContact N-O 3.09Å; W107-K110 WeakPolarHBondContact O-CB 3.37Å; W107-K110 PolarHBondContact O-N 2.93Å; Q108-K110 PolarHBondContact O-N 3.33Å; K110-Y112 HydrophobicContact CB-CD2 4.46Å; K110-Y112 HydrophobicContact CB-CE2 3.53Å
111	F	87.5	Confident	81.1	Confident	17 Å²	17	58.3 Å²	58.3	8%	0.075	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	130.3	-175.2	-58.2	-83.5	0	0	0	111.5	A79 F84 F89 C91 N92 F98 V104 T105 V106 F311	A79-F111 HydrophobicContact CB-CE1 3.81Å; A79-F111 HydrophobicContact CB-CZ 4.24Å; F84-F111 AromaticContact CE1-CE2 3.96Å; F84-F111 HydrophobicContact CE1-CE2 3.96Å; F84-F111 HydrophobicContact CE1-CZ 4.45Å; F84-F111 HydrophobicContact CE2-CE2 4.17Å; F84-F111 AromaticContact CE2-CZ 3.87Å; F84-F111 HydrophobicContact CE2-CZ 3.87Å; F84-F111 AromaticContact CZ-CE2 3.47Å; F84-F111 HydrophobicContact CZ-CE2 3.47Å; F84-F111 VanDerWaalsContact CZ-CE2 3.47Å; F84-F111 AromaticContact CZ-CZ 3.54Å; F84-F111 HydrophobicContact CZ-CZ 3.54Å; F89-F111 AromaticContact CE2-CD1 3.6Å; F89-F111 HydrophobicContact CE2-CD1 3.6Å; F89-F111 HydrophobicContact CE2-CD2 4.21Å; F89-F111 AromaticContact CE2-CE1 3.67Å; F89-F111 HydrophobicContact CE2-CE1 3.67Å; F89-F111 HydrophobicContact CE2-CE2 4.28Å; F89-F111 AromaticContact CE2-CG 3.89Å; F89-F111 HydrophobicContact CE2-CG 3.89Å; F89-F111 HydrophobicContact CE2-CZ 4.03Å; F89-F111 AromaticContact CZ-CD1 3.89Å; F89-F111 HydrophobicContact CZ-CD1 3.89Å; F89-F111 HydrophobicContact CZ-CE1 4.22Å; F89-F111 HydrophobicContact CZ-CG 4.36Å; C91-F111 CarbonylContact C-O 3.55Å; C91-F111 WeakPolarHBondContact CA-O 3.39Å; N92-F111 PolarHBondContact N-O 2.79Å; F98-F111 HydrophobicContact CE2-CB 3.83Å; F98-F111 HydrophobicContact CZ-CB 4.21Å; V104-F111 HydrophobicContact CG1-CB 4.03Å; V104-F111 HydrophobicContact CG1-CD1 3.98Å; T105-F111 WeakPolarHBondContact O-CA 3.48Å; V106-F111 HydrophobicContact CG2-CD1 3.35Å; V106-F111 HydrophobicContact CG2-CE1 3.3Å; V106-F111 HydrophobicContact CG2-CG 4.28Å; V106-F111 HydrophobicContact CG2-CZ 4.19Å; F111-F311 HydrophobicContact CD1-CZ 4.01Å; F111-F311 HydrophobicContact CE1-CZ 4.05Å
112	Y	89	Confident	80.3	Confident	17 Å²	17	61.9 Å²	61.9	7%	0.067	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	141.7	-177.6	-58.5	-92.4	0	0	0	111.9	N92 K93 T105 W107 K110 I117 V120	N92-Y112 HydrophobicContact CB-CE1 4.05Å; K93-Y112 HydrophobicContact CG-CE1 4.28Å; T105-Y112 PolarHBondContact N-O 3.42Å; T105-Y112 PolarHBondContact O-N 2.96Å; T105-Y112 WeakPolarHBondContact OG1-CB 3.48Å; T105-Y112 PolarHBondContact OG1-O 3.24Å; W107-Y112 HydrophobicContact CB-CD2 4.13Å; W107-Y112 HydrophobicContact CB-CE2 3.88Å; K110-Y112 HydrophobicContact CB-CD2 4.46Å; K110-Y112 HydrophobicContact CB-CE2 3.53Å; Y112-I117 HydrophobicContact CD2-CD1 4.23Å; Y112-I117 HydrophobicContact CG-CD1 4.24Å; Y112-V120 HydrophobicContact CD1-CG2 4.05Å; Y112-V120 HydrophobicContact CE1-CG2 3.81Å
113	C	89.4	Confident	79	Confident	22 Å²	22	63.5 Å²	63.5	15%	0.149	33%	0.327	C	S	.	.			trans	-78.4	164.1	171.4	75.3	0	0	0	0	111	C91 F98 H115 C116 I117	C91-C113 HydrophobicContact CB-CB 4.41Å; C91-C113 PolarHBondContact SG-N 3.3Å; F98-C113 HydrophobicContact CE1-CB 3.74Å; C113-H115 PolarHBondContact O-N 2.83Å; C113-H115 VanDerWaalsContact O-N 3.13Å; C113-C116 PolarHBondContact O-N 2.81Å; C113-C116 VanDerWaalsContact O-N 3.15Å; C113-C116 PolarHBondContact SG-N 2.89Å; C113-C116 VanDerWaalsContact SG-N 3.38Å; C113-C116 VanDerWaalsContact SG-SG 3.62Å; C113-I117 PolarHBondContact O-N 3.46Å
114	P	84.2	Confident	77.4	Confident	69 Å²	69	60.8 Å²	60.8	45%	0.448	34%	0.335	S	S	.	.	H	α-helix	trans	-62.2	-24.5	-175.3	-23.5	36.2	0	0	0	113.8	R103	R103-P114 HydrophobicContact CB-CG 3.9Å; R103-P114 VanDerWaalsContact O-CD 3.29Å; R103-P114 WeakPolarHBondContact O-CD 3.4Å; R103-P114 WeakPolarHBondContact O-CG 3.43Å
115	H	85.3	Confident	75.4	Confident	134 Å²	134	67.2 Å²	67.2	62%	0.62	37%	0.374	S	S	*	.	H	α-helix	trans	-80.1	-44.3	175.9	-166.2	83.2	0	0	0	111.9	C113 Q119	C113-H115 PolarHBondContact O-N 2.83Å; C113-H115 VanDerWaalsContact O-N 3.13Å; H115-Q119 PolarHBondContact CD2-NE2 3.17Å; H115-Q119 VanDerWaalsContact CD2-NE2 3.29Å; H115-Q119 PolarHBondContact NE2-NE2 3.23Å; H115-Q119 VanDerWaalsContact NE2-NE2 3.19Å
116	C	87.6	Confident	73.5	Confident	6 Å²	6	74.2 Å²	74.2	4%	0.041	42%	0.417	C	S	.	.	H	α-helix	trans	-75.4	-25.4	-178.8	-71.7	0	0	0	0	114.2	K93 C113 Q119 V120	K93-C116 HydrophobicContact CB-CB 3.77Å; K93-C116 HydrophobicContact CD-CB 4.25Å; C113-C116 PolarHBondContact O-N 2.81Å; C113-C116 VanDerWaalsContact O-N 3.15Å; C113-C116 PolarHBondContact SG-N 2.89Å; C113-C116 VanDerWaalsContact SG-N 3.38Å; C113-C116 VanDerWaalsContact SG-SG 3.62Å; C116-Q119 CarbonylContact O-C 3.52Å; C116-Q119 WeakPolarHBondContact O-CB 3.41Å; C116-Q119 PolarHBondContact O-N 3.46Å; C116-V120 WeakPolarHBondContact O-CG2 3.31Å; C116-V120 PolarHBondContact O-N 3.17Å
117	I	83.3	Confident	71.4	Confident	11 Å²	11	76.6 Å²	76.6	6%	0.056	45%	0.446	C	S	.	.	H	α-helix	trans	-68.9	-38.7	177.8	-168.8	62.7	0	0	0	111.7	T105 W107 Y112 C113 Q119 V120 C121	T105-I117 HydrophobicContact CG2-CB 4.48Å; T105-I117 HydrophobicContact CG2-CG1 4.1Å; T105-I117 HydrophobicContact CG2-CG2 4.28Å; T105-I117 VanDerWaalsContact OG1-CB 3.3Å; T105-I117 WeakPolarHBondContact OG1-CB 3.46Å; T105-I117 WeakPolarHBondContact OG1-CG1 3.49Å; W107-I117 HydrophobicContact CB-CD1 4.36Å; W107-I117 HydrophobicContact CE3-CD1 4.11Å; Y112-I117 HydrophobicContact CD2-CD1 4.23Å; Y112-I117 HydrophobicContact CG-CD1 4.24Å; C113-I117 PolarHBondContact O-N 3.46Å; I117-Q119 VanDerWaalsContact C-N 3.26Å; I117-Q119 PolarHBondContact O-N 3.34Å; I117-V120 HydrophobicContact CD1-CB 4.47Å; I117-V120 WeakPolarHBondContact O-CA 3.24Å; I117-V120 WeakPolarHBondContact O-CB 3.35Å; I117-V120 PolarHBondContact O-N 2.86Å; I117-C121 PolarHBondContact O-N 2.9Å; I117-C121 PolarHBondContact O-SG 3.23Å
118	N	80.1	Confident	69.6	Low	104 Å²	104	78.9 Å²	78.9	56%	0.556	47%	0.471	S	S	*	.	H	α-helix	trans	-60.2	-40.1	173.4	-64	0.1	0	0	0	110.6	V120 C122	N118-V120 PolarHBondContact O-N 2.65Å; N118-C122 VanDerWaalsContact O-CB 3.28Å; N118-C122 WeakPolarHBondContact O-CB 3.43Å; N118-C122 PolarHBondContact O-N 2.8Å; N118-C122 PolarHBondContact O-SG 2.9Å
119	Q	78	Confident	68.2	Low	87 Å²	87	78.5 Å²	78.5	41%	0.407	48%	0.478	S	S	.	.	H	α-helix	trans	-71	1.5	171.8	-57.6	174	-3.3	0	0	114.5	K93 H115 C116 I117 S123	K93-Q119 PolarHBondContact NZ-O 3.13Å; H115-Q119 PolarHBondContact CD2-NE2 3.17Å; H115-Q119 VanDerWaalsContact CD2-NE2 3.29Å; H115-Q119 PolarHBondContact NE2-NE2 3.23Å; H115-Q119 VanDerWaalsContact NE2-NE2 3.19Å; C116-Q119 CarbonylContact O-C 3.52Å; C116-Q119 WeakPolarHBondContact O-CB 3.41Å; C116-Q119 PolarHBondContact O-N 3.46Å; I117-Q119 VanDerWaalsContact C-N 3.26Å; I117-Q119 PolarHBondContact O-N 3.34Å; Q119-S123 PolarHBondContact O-OG 3.46Å
120	V	70.8	Confident	66.5	Low	31 Å²	31	78.5 Å²	78.5	19%	0.188	49%	0.489	C	S	.	.	H	α-helix	trans	-109	-47.1	172.4	169.4	0	0	0	0	109.5	K93 W107 Y112 C116 I117 N118	K93-V120 HydrophobicContact CD-CG2 3.86Å; W107-V120 HydrophobicContact CD2-CG1 4.38Å; Y112-V120 HydrophobicContact CD1-CG2 4.05Å; Y112-V120 HydrophobicContact CE1-CG2 3.81Å; C116-V120 WeakPolarHBondContact O-CG2 3.31Å; C116-V120 PolarHBondContact O-N 3.17Å; I117-V120 HydrophobicContact CD1-CB 4.47Å; I117-V120 WeakPolarHBondContact O-CA 3.24Å; I117-V120 WeakPolarHBondContact O-CB 3.35Å; I117-V120 PolarHBondContact O-N 2.86Å; N118-V120 PolarHBondContact O-N 2.65Å
121	C	60.5	Low	64.3	Low	47 Å²	47	79.6 Å²	79.6	32%	0.318	51%	0.508	S	S	.	.	H	α-helix	trans	-66.9	-39.7	180	-55.5	0	0	0	0	112.6	W107 I117 S123	W107-C121 HydrophobicContact CZ3-CB 4.47Å; W107-C121 WeakPolarHBondContact CZ3-SG 3.49Å; I117-C121 PolarHBondContact O-N 2.9Å; I117-C121 PolarHBondContact O-SG 3.23Å; C121-S123 VanDerWaalsContact C-N 3.32Å; C121-S123 PolarHBondContact O-N 2.99Å
122	C	56.8	Low	62.2	Low	104 Å²	104	88 Å²	88	70%	0.703	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	7	-175.2	-57.7	0	0	0	0	114.4	N118 A124	N118-C122 VanDerWaalsContact O-CB 3.28Å; N118-C122 WeakPolarHBondContact O-CB 3.43Å; N118-C122 PolarHBondContact O-N 2.8Å; N118-C122 PolarHBondContact O-SG 2.9Å; C122-A124 VanDerWaalsContact C-N 3.32Å
123	S	52.7	Low	59.9	Low	93 Å²	93	94.6 Å²	94.6	65%	0.65	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.8	15.2	176.4	-59.6	0	0	0	0	113.5	Q119 C121	Q119-S123 PolarHBondContact O-OG 3.46Å; C121-S123 VanDerWaalsContact C-N 3.32Å; C121-S123 PolarHBondContact O-N 2.99Å
124	A	49.5	Very low	57.5	Low	84 Å²	84	101.4 Å²	101.4	69%	0.694	62%	0.615	S	S	*	*	S	Bend	trans	-107.1	10.3	-169	0	0	0	0	0	115.6	C122	C122-A124 VanDerWaalsContact C-N 3.32Å
125	T	42.9	Very low	55.1	Low	135 Å²	135	107 Å²	107	83%	0.828	64%	0.64	S	S	*	*			trans	-154.1	143.4	161.9	21.3	0	0	0	0	110.1
126	V	43.8	Very low	52.8	Low	157 Å²	157	108.5 Å²	108.5	95%	0.952	65%	0.648	S	S	*	*			trans	-103.5	121.4	173.5	176.9	0	0	0	0	108.4
127	G	41.1	Very low	50.3	Low	71 Å²	71	113.3 Å²	113.3	73%	0.732	68%	0.677	S	S	*	*			trans	-177.7	121.8	177.9	0	0	0	0	0	111.6
128	S	43.2	Very low	48.1	Very low	112 Å²	112	119.2 Å²	119.2	78%	0.783	72%	0.716	S	S	*	*			trans	-73	168.7	169.5	46.7	0	0	0	0	110.5
129	V	47.4	Very low	45.8	Very low	132 Å²	132	120.9 Å²	120.9	80%	0.8	72%	0.724	S	S	*	*			cis	-139.5	-160.5	23.7	-135.9	0	0	0	0	110.6
130	P	38.8	Very low	43.5	Very low	121 Å²	121	121.8 Å²	121.8	79%	0.786	74%	0.74	S	S	*	*			trans	-110.3	172.6	-138.9	43.2	-29.6	0	0	0	117.1
131	S	37.8	Very low	41.9	Very low	118 Å²	118	126.8 Å²	126.8	83%	0.825	77%	0.77	S	S	*	*			trans	-59.7	132.4	-176.9	-42	0	0	0	0	116.2
132	K	44	Very low	40.5	Very low	193 Å²	193	129 Å²	129	84%	0.839	78%	0.783	S	S	*	*			trans	-141.5	127.8	143.2	-70.6	-168.6	-179	175.9	0	111.1
133	N	40.2	Very low	39.4	Very low	155 Å²	155	129.4 Å²	129.4	83%	0.829	78%	0.778	S	S	*	*			trans	31.9	108.4	154.4	-55.2	-12.5	0	0	0	119.9
134	L	40.6	Very low	38.8	Very low	166 Å²	166	131.9 Å²	131.9	87%	0.869	78%	0.784	S	S	*	*				-151.5	133.8	111	-102.4	-178.8	0	0	0	110.3	Q136	L134-Q136 PolarHBondContact O-N 2.82Å
135	L	32.1	Very low	38.2	Very low	186 Å²	186	136.9 Å²	136.9	97%	0.974	79%	0.793	S	S	*	*			trans	-82.1	93.2	175.9	-85.1	150.6	0	0	0	109.3
136	Q	39	Very low	37.9	Very low	165 Å²	165	133.8 Å²	133.8	77%	0.771	79%	0.788	S	S	*	*			trans	-114.8	124.3	173.6	-156.5	159.3	17.6	0	0	110.8	L134	L134-Q136 PolarHBondContact O-N 2.82Å
137	T	33.9	Very low	37.5	Very low	108 Å²	108	132.6 Å²	132.6	66%	0.663	79%	0.785	S	S	*	*			trans	-60.6	135.7	177.8	47	0	0	0	0	110.6	L139	T137-L139 VanDerWaalsContact C-N 3.33Å; T137-L139 PolarHBondContact O-N 3.23Å
138	P	36.3	Very low	37.2	Very low	134 Å²	134	135.7 Å²	135.7	87%	0.87	79%	0.79	S	S	*	*			trans	-69.1	92.5	173.4	29.1	-33.8	0	0	0	109.4	S140	P138-S140 PolarHBondContact O-N 2.77Å
139	L	33	Very low	36.6	Very low	140 Å²	140	136.1 Å²	136.1	73%	0.733	79%	0.792	S	S	*	*			trans	-58.7	130.3	173.3	-78.6	167.1	0	0	0	109.2	T137 V141	T137-L139 VanDerWaalsContact C-N 3.33Å; T137-L139 PolarHBondContact O-N 3.23Å; L139-V141 PolarHBondContact O-N 3.35Å
140	S	29.7	Very low	35.9	Very low	106 Å²	106	134.2 Å²	134.2	74%	0.741	79%	0.791	S	S	*	*			trans	-71	100.5	174.7	52.7	0	0	0	0	109.7	P138 T142	P138-S140 PolarHBondContact O-N 2.77Å; S140-T142 PolarHBondContact O-N 3.33Å
141	V	36.1	Very low	35.9	Very low	135 Å²	135	133.5 Å²	133.5	82%	0.818	79%	0.789	S	S	*	*			trans	-72.2	106.7	166.4	-177.3	0	0	0	0	108.2	L139	L139-V141 PolarHBondContact O-N 3.35Å
142	T	31.3	Very low	35.6	Very low	94 Å²	94	134.2 Å²	134.2	58%	0.577	78%	0.783	S	S	*	*			trans	-95.4	156.9	156.3	59	0	0	0	0	108.1	S140	S140-T142 PolarHBondContact O-N 3.33Å
143	D	33.6	Very low	35.2	Very low	113 Å²	113	133.2 Å²	133.2	60%	0.604	78%	0.783	S	S	*	*			trans	68.5	155.3	163.9	-34.4	-42	0	0	0	113
144	D	40.8	Very low	34.9	Very low	145 Å²	145	130 Å²	130	78%	0.775	78%	0.778	S	S	*	*			cis	-148.4	149.9	-20.9	-96.1	-32.7	0	0	0	105.8
145	E	37.4	Very low	34.7	Very low	188 Å²	188	127.4 Å²	127.4	88%	0.879	77%	0.774	S	S	*	*			trans	-147.7	129.1	161.6	-93.1	-53.6	166	0	0	111.2
146	G	35.3	Very low	34.8	Very low	70 Å²	70	123.4 Å²	123.4	72%	0.722	76%	0.762	S	S	*	*			trans	162.9	25.7	-172.8	0	0	0	0	0	119.6
147	C	36.8	Very low	34.6	Very low	132 Å²	132	123.6 Å²	123.6	89%	0.892	76%	0.763	S	S	*	*			trans	-155.4	93.1	165.7	-125.2	0	0	0	0	113.3
148	V	33.6	Very low	34.5	Very low	137 Å²	137	128.6 Å²	128.6	83%	0.83	77%	0.771	S	S	*	*			trans	-100	124	166.8	-79.1	0	0	0	0	110.7
149	S	31.8	Very low	34.4	Very low	120 Å²	120	129.2 Å²	129.2	84%	0.839	77%	0.766	S	S	*	*				170.8	153.7	127.7	43.9	0	0	0	0	113.6
150	A	31	Very low	34.2	Very low	93 Å²	93	129.6 Å²	129.6	77%	0.769	76%	0.763	S	S	*	*			trans	72.3	123.2	160.9	0	0	0	0	0	119.8
151	S	38.8	Very low	34.4	Very low	106 Å²	106	131.8 Å²	131.8	74%	0.741	76%	0.762	S	S	*	*			trans	72	130.4	155.5	-62.2	0	0	0	0	120.7
152	D	32.5	Very low	34.4	Very low	132 Å²	132	133.5 Å²	133.5	71%	0.706	76%	0.761	S	S	*	*			cis	-164.3	163.3	-17.2	-121.4	-55.4	0	0	0	113.3
153	M	36	Very low	34.6	Very low	172 Å²	172	133.4 Å²	133.4	85%	0.847	76%	0.762	S	S	*	*			trans	61.2	113.4	155.8	-68.8	-172.2	167	0	0	123.8
154	A	34.1	Very low	34.5	Very low	87 Å²	87	134.9 Å²	134.9	72%	0.719	77%	0.768	S	S	*	*				89.4	110.4	117.8	0	0	0	0	0	123.4
155	S	35.3	Very low	34.1	Very low	113 Å²	113	135.3 Å²	135.3	79%	0.79	77%	0.765	S	S	*	*			trans	68.4	150.5	131.3	-59.3	0	0	0	0	121.8
156	S	35.3	Very low	33.8	Very low	102 Å²	102	133 Å²	133	71%	0.713	76%	0.756	S	S	*	*			cis	-165.3	134.1	-21.8	-91.5	0	0	0	0	111.3
157	Q	34	Very low	33.8	Very low	169 Å²	169	136 Å²	136	79%	0.79	76%	0.756	S	S	*	*			trans	14.7	178.9	145.8	-62.6	-178.7	-19.5	0	0	124.9
158	Y	31.4	Very low	33.6	Very low	212 Å²	212	138.4 Å²	138.4	83%	0.831	75%	0.754	S	S	*	*			trans	82.2	135	177	-78.4	-109.9	0	0	0	114.9
159	I	34.2	Very low	33.8	Very low	148 Å²	148	136.8 Å²	136.8	76%	0.759	75%	0.746	S	S	*	*			cis	-144	137.4	6	-56.3	-170.7	0	0	0	107.1
160	H	30.1	Very low	34.1	Very low	147 Å²	147	139.5 Å²	139.5	68%	0.681	75%	0.746	S	S	*	*				85.7	126.1	58.6	-134	-77.6	0	0	0	116.8
161	E	33.2	Very low	34.3	Very low	152 Å²	152	140.7 Å²	140.7	71%	0.71	74%	0.739	S	S	*	*			trans	49.2	140.4	171.3	-77.5	147.8	164.4	0	0	121.3
162	Q	35.9	Very low	34	Very low	172 Å²	172	141.5 Å²	141.5	80%	0.804	74%	0.735	S	S	*	*			cis	84.8	151.3	31.4	-78.6	-156.5	54.5	0	0	116.3
163	P	36.3	Very low	34.1	Very low	91 Å²	91	144 Å²	144	59%	0.591	74%	0.74	S	S	*	*			cis	-139.1	-153.7	-33.9	35.2	-13.1	0	0	0	112.8
164	I	30.8	Very low	34.2	Very low	145 Å²	145	140.5 Å²	140.5	74%	0.744	73%	0.732	S	S	*	*			trans	78.5	136.3	162.2	-63.6	162.5	0	0	0	115.5
165	E	32.3	Very low	33.9	Very low	153 Å²	153	142 Å²	142	72%	0.715	74%	0.736	S	S	*	*			cis	-150.7	162.8	1.7	-136.8	166.2	-144.2	0	0	115.5
166	M	32.2	Very low	33.8	Very low	139 Å²	139	144 Å²	144	69%	0.685	74%	0.737	S	S	*	*			trans	42.9	142.3	147.6	-88.6	-176.5	-24.8	0	0	127.3
167	N	34.3	Very low	33.7	Very low	134 Å²	134	144.9 Å²	144.9	72%	0.717	74%	0.74	S	S	*	*			trans	75	74.4	144.4	-60.8	-16	0	0	0	122.5
168	Q	33.1	Very low	33.6	Very low	183 Å²	183	142.7 Å²	142.7	86%	0.855	74%	0.743	S	S	*	*				7.5	157.3	111.7	-118	-161.2	0.5	0	0	120.3
169	P	37.8	Very low	33.6	Very low	103 Å²	103	137.7 Å²	137.7	67%	0.669	75%	0.745	S	S	*	*				-133.8	-178.2	-79.7	43.7	-29.3	0	0	0	113
170	Q	37.7	Very low	33.6	Very low	177 Å²	177	134.4 Å²	134.4	83%	0.827	75%	0.748	S	S	*	*			trans	-173	148.2	130.6	-105	173	8.4	0	0	114.6
171	N	34.3	Very low	33.7	Very low	118 Å²	118	135.6 Å²	135.6	63%	0.631	76%	0.759	S	S	*	*			trans	52.5	116.6	147.5	-73.4	47.7	0	0	0	124.1
172	D	33.7	Very low	33.7	Very low	122 Å²	122	133.5 Å²	133.5	65%	0.652	76%	0.758	S	S	*	*				91.8	140.1	121	-59.2	-17.4	0	0	0	123.8
173	F	35	Very low	33.7	Very low	186 Å²	186	134.4 Å²	134.4	82%	0.816	76%	0.762	S	S	*	*			trans	66.1	111.9	162.2	-65.3	-64.4	0	0	0	123.8
174	S	37	Very low	33.3	Very low	97 Å²	97	140.2 Å²	140.2	68%	0.678	78%	0.778	S	S	*	*				74.5	103.1	126.8	68.2	0	0	0	0	123.1
175	C	28.5	Very low	33.5	Very low	119 Å²	119	137.9 Å²	137.9	80%	0.804	78%	0.775	S	S	*	*				82.9	153	115.7	-62.1	0	0	0	0	122.8
176	I	33.3	Very low	33.6	Very low	156 Å²	156	140.5 Å²	140.5	80%	0.8	78%	0.784	S	S	*	*			trans	73.3	108	166.6	-42.8	-171.1	0	0	0	117.5
177	P	32.1	Very low	33.7	Very low	120 Å²	120	138.2 Å²	138.2	78%	0.779	78%	0.782	S	S	*	*			trans	-92.1	163.9	165.8	37.6	-33.5	0	0	0	112.6
178	S	33.5	Very low	33.8	Very low	123 Å²	123	138.7 Å²	138.7	86%	0.86	78%	0.783	S	S	*	*			trans	-143.9	145.8	165	-79.2	0	0	0	0	110.7
179	A	31.2	Very low	33.7	Very low	106 Å²	106	135.8 Å²	135.8	88%	0.876	77%	0.772	S	S	*	*			trans	-94	140.1	-168.1	0	0	0	0	0	113.4
180	G	32.6	Very low	33.4	Very low	79 Å²	79	141 Å²	141	81%	0.814	78%	0.778	S	S	*	*			trans	-110.1	129.2	171.8	0	0	0	0	0	111.7
181	L	32.2	Very low	33.2	Very low	173 Å²	173	141.9 Å²	141.9	91%	0.906	78%	0.78	S	S	*	*			trans	-78	169.1	-169.9	-81.9	163.5	0	0	0	114.4
182	P	34.5	Very low	33.5	Very low	108 Å²	108	141.2 Å²	141.2	70%	0.701	78%	0.782	S	S	*	*			trans	-105.1	174.1	-157.7	41.2	-37.5	0	0	0	114.7
183	Q	34.9	Very low	33.4	Very low	190 Å²	190	140.9 Å²	140.9	89%	0.888	78%	0.784	S	S	*	*			trans	-132.3	134.3	157.3	-67.5	-168.3	-7	0	0	112.3
184	K	27.8	Very low	33.2	Very low	214 Å²	214	137.4 Å²	137.4	93%	0.93	78%	0.778	S	S	*	*			trans	-143	124.6	164.9	-81.8	-173.1	176.9	179.8	0	107.8
185	S	35.1	Very low	33	Very low	95 Å²	95	139.4 Å²	139.4	66%	0.664	78%	0.777	S	S	*	*			trans	-150.7	102	175.8	56.1	0	0	0	0	114.2
186	K	35.6	Very low	33.1	Very low	208 Å²	208	140.6 Å²	140.6	90%	0.904	77%	0.77	S	S	*	*			trans	71.9	159.4	145.1	-55.5	163.1	-173.6	175.1	0	113.5
187	S	34	Very low	32.9	Very low	92 Å²	92	139.6 Å²	139.6	64%	0.643	77%	0.767	S	S	*	*			cis	-156.9	166.1	25.2	71.9	0	0	0	0	113.5
188	I	35.1	Very low	32.8	Very low	143 Å²	143	137 Å²	137	73%	0.733	76%	0.761	S	S	*	*			trans	62	125.2	139.5	-68.5	165	0	0	0	117.3
189	L	32	Very low	32.5	Very low	122 Å²	122	138.9 Å²	138.9	64%	0.639	76%	0.761	S	S	*	*			cis	-162	155.5	5.8	-151.8	51.7	0	0	0	113.1
190	R	31.8	Very low	32.5	Very low	212 Å²	212	142.7 Å²	142.7	80%	0.8	76%	0.761	S	S	*	*			trans	21.3	126.5	148.8	-64.8	168.9	-154.6	-175.2	4.8	119.4
191	K	33.5	Very low	32.3	Very low	197 Å²	197	143.7 Å²	143.7	86%	0.857	75%	0.75	S	S	*	*			cis	55.7	151.6	14	-101.7	-167.7	178.9	-174.1	0	116
192	P	40.2	Very low	32.4	Very low	103 Å²	103	140.1 Å²	140.1	67%	0.669	74%	0.74	S	S	*	*			cis	-147.7	-162.5	-4.8	39.5	-16.1	0	0	0	116
193	V	31	Very low	32.4	Very low	115 Å²	115	142.8 Å²	142.8	70%	0.697	74%	0.741	S	S	*	*			trans	69.2	128.4	140.8	157.2	0	0	0	0	119.8
194	T	31.7	Very low	32.1	Very low	113 Å²	113	140.7 Å²	140.7	69%	0.693	73%	0.731	S	S	*	*				64.1	157.5	72.3	19.6	0	0	0	0	114.5
195	E	31.4	Very low	32.3	Very low	139 Å²	139	141.8 Å²	141.8	65%	0.65	73%	0.729	S	S	*	*			cis	-167.5	-173.3	28.5	-144.2	163.9	-108.4	0	0	114.1
196	Q	31.2	Very low	32.1	Very low	144 Å²	144	140.4 Å²	140.4	67%	0.673	73%	0.73	S	S	*	*			trans	72.9	155.6	152.6	-74.6	168.3	49.7	0	0	118.7
197	N	30.4	Very low	31.8	Very low	135 Å²	135	141.4 Å²	141.4	72%	0.722	73%	0.729	S	S	*	*			cis	-154.7	168.8	2.6	-125.1	-24.9	0	0	0	113.7
198	G	29.7	Very low	31.6	Very low	65 Å²	65	145.1 Å²	145.1	67%	0.67	74%	0.741	S	S	*	*			trans	98.1	103.2	163.6	0	0	0	0	0	116.1
199	L	27.4	Very low	31.3	Very low	163 Å²	163	143 Å²	143	85%	0.853	74%	0.739	S	S	*	*				74	101.8	56.2	-68.8	167	0	0	0	116.4
200	H	29.7	Very low	31.3	Very low	187 Å²	187	143.2 Å²	143.2	87%	0.866	75%	0.745	S	S	*	*			trans	-149.6	162	138.4	-157.8	-97.8	0	0	0	111.5
201	V	29.4	Very low	31.1	Very low	99 Å²	99	139.8 Å²	139.8	60%	0.6	74%	0.743	S	S	*	*			trans	-130.1	139.2	-165.8	173.4	0	0	0	0	112.7
202	S	33	Very low	31	Very low	99 Å²	99	135.9 Å²	135.9	69%	0.692	74%	0.741	S	S	*	*			trans	-175.3	119.1	147.7	-78.1	0	0	0	0	108
203	K	34.9	Very low	30.5	Very low	163 Å²	163	134.4 Å²	134.4	71%	0.709	74%	0.744	S	S	*	*				79.4	108.9	53.8	-89.1	-171.7	162.4	-110.7	0	115.8
204	E	30.1	Very low	30.6	Very low	146 Å²	146	137.8 Å²	137.8	68%	0.682	76%	0.757	S	S	*	*			trans	65.4	147.2	144.6	-62.7	161.3	-138.5	0	0	118.1
205	R	31.3	Very low	30.6	Very low	238 Å²	238	136.2 Å²	136.2	90%	0.898	76%	0.763	S	S	*	*			cis	-124.7	166.9	1.1	-62.6	173	176.5	162.1	-3.7	108.6
206	G	29.9	Very low	30.7	Very low	65 Å²	65	136.8 Å²	136.8	67%	0.67	77%	0.771	S	S	*	*			cis	128.5	73.4	3.3	0	0	0	0	0	112.4
207	Y	29.4	Very low	30.8	Very low	230 Å²	230	141 Å²	141	90%	0.902	78%	0.781	S	S	*	*			trans	-134.2	105.1	164.7	-88.4	-73.6	0	0	0	111
208	L	29.7	Very low	30.9	Very low	169 Å²	169	142.4 Å²	142.4	89%	0.885	79%	0.787	S	S	*	*			trans	-120.4	126.8	162.2	-78.3	169.5	0	0	0	107.3
209	S	29.4	Very low	30.8	Very low	99 Å²	99	144.6 Å²	144.6	69%	0.692	79%	0.791	S	S	*	*			trans	-153.8	120	161.7	-60.6	0	0	0	0	105.4
210	T	32.5	Very low	30.9	Very low	126 Å²	126	146.5 Å²	146.5	77%	0.773	80%	0.796	S	S	*	*				51.2	106	72	68.6	0	0	0	0	110.5
211	D	27.4	Very low	30.9	Very low	141 Å²	141	143.1 Å²	143.1	75%	0.754	79%	0.793	S	S	*	*				64.7	119.4	57.7	-161.6	-10.8	0	0	0	112.3
212	S	30.4	Very low	31.2	Very low	115 Å²	115	143.1 Å²	143.1	80%	0.804	80%	0.803	S	S	*	*			trans	69.4	149.3	168	-64.4	0	0	0	0	119.1
213	G	31.3	Very low	30.9	Very low	71 Å²	71	145.5 Å²	145.5	73%	0.732	81%	0.808	S	S	*	*			trans	101	124.7	-170.5	0	0	0	0	0	111.7
214	L	32.2	Very low	30.9	Very low	186 Å²	186	146 Å²	146	97%	0.974	82%	0.818	S	S	*	*			cis	60.7	110.2	17.2	-64.1	178.9	0	0	0	115.3
215	G	31.9	Very low	30.9	Very low	80 Å²	80	146.4 Å²	146.4	83%	0.825	83%	0.825	S	S	*	*			trans	171.6	96.2	172.7	0	0	0	0	0	112.9
216	D	33.3	Very low	31.2	Very low	152 Å²	152	142.5 Å²	142.5	81%	0.813	82%	0.822	S	S	*	*			trans	-87.6	132	167.6	-67.5	-63.3	0	0	0	110.5
217	R	33.8	Very low	31.3	Very low	233 Å²	233	143.3 Å²	143.3	88%	0.879	82%	0.817	S	S	*	*			trans	179.2	111.7	149.3	-98.3	146.9	-167.8	-130.5	0	108.3
218	L	32	Very low	31.5	Very low	163 Å²	163	138.3 Å²	138.3	85%	0.853	81%	0.806	S	S	*	*				85.7	136.9	81.6	-81	-177	0	0	0	112.7
219	C	27.3	Very low	31.7	Very low	112 Å²	112	141.3 Å²	141.3	76%	0.757	81%	0.807	S	S	*	*			trans	-72.6	159.1	-168.6	-41.3	0	0	0	0	112.9
220	E	29.8	Very low	31.9	Very low	203 Å²	203	145.1 Å²	145.1	95%	0.949	81%	0.806	S	S	*	*				-152.7	159.5	122.3	-117.2	155.3	-169.6	0	0	111.7
221	S	29.7	Very low	32	Very low	116 Å²	116	144 Å²	144	81%	0.811	80%	0.796	S	S	*	*			trans	-108.6	137.3	-164.1	-54.9	0	0	0	0	111.9
222	A	35.4	Very low	32.4	Very low	99 Å²	99	143.6 Å²	143.6	82%	0.818	79%	0.793	S	S	*	*			trans	-141.4	116.6	163.6	0	0	0	0	0	109.8
223	N	27.3	Very low	32.7	Very low	148 Å²	148	147.4 Å²	147.4	79%	0.791	79%	0.791	S	S	*	*			trans	-80.3	139.6	164.4	-48.4	-66.9	0	0	0	108.2
224	L	34.2	Very low	32.9	Very low	174 Å²	174	151.2 Å²	151.2	91%	0.911	80%	0.795	S	S	*	*			trans	-142.5	128.4	144.3	-80.9	-175.9	0	0	0	108.1
225	D	31.3	Very low	33	Very low	155 Å²	155	145.1 Å²	145.1	83%	0.829	78%	0.777	S	S	*	*			trans	-73.9	151	173.9	-52.2	-92.5	0	0	0	111.1
226	D	37	Very low	33.2	Very low	156 Å²	156	147.1 Å²	147.1	83%	0.834	78%	0.778	S	S	*	*			trans	-147.3	168.7	138.8	-147.7	-14.4	0	0	0	110.9
227	S	31.6	Very low	33.2	Very low	82 Å²	82	145.4 Å²	145.4	57%	0.573	78%	0.778	S	S	*	*			trans	-151.9	173	-139.9	59.1	0	0	0	0	114.5
228	N	33.9	Very low	33.3	Very low	125 Å²	125	137.4 Å²	137.4	67%	0.668	77%	0.768	S	S	*	*			trans	71.7	89.6	163.9	-59.3	-61.2	0	0	0	120.2
229	Y	33.4	Very low	33.4	Very low	232 Å²	232	138.6 Å²	138.6	91%	0.91	77%	0.769	S	S	*	*			trans	-164.6	106.7	130.4	-134.7	-109.8	0	0	0	106.8
230	R	33.3	Very low	33.8	Very low	178 Å²	178	138.9 Å²	138.9	67%	0.672	76%	0.763	S	S	*	*				57.2	133.9	51.9	-59	-163.7	84.6	145.5	6.9	112.1
231	D	34.9	Very low	34.1	Very low	103 Å²	103	136.8 Å²	136.8	55%	0.551	75%	0.751	S	S	*	*			cis	-163.4	166.2	-2	-122.8	-7.3	0	0	0	111.1
232	L	36.1	Very low	34.4	Very low	132 Å²	132	136.1 Å²	136.1	69%	0.691	74%	0.742	S	S	*	*			trans	67	147.9	160.4	-59	155.4	0	0	0	118.1
233	Y	36.4	Very low	34.2	Very low	196 Å²	196	137.7 Å²	137.7	77%	0.769	74%	0.737	S	S	*	*			cis	-127	145.3	-9.8	-80.3	-92.7	0	0	0	106.6
234	D	35.2	Very low	34.5	Very low	151 Å²	151	138 Å²	138	81%	0.807	74%	0.738	S	S	*	*				65.1	124.3	52.9	-160.6	47.7	0	0	0	114.5
235	G	34.7	Very low	34.3	Very low	58 Å²	58	138.9 Å²	138.9	60%	0.598	73%	0.729	S	S	*	*			cis	176.1	-166.8	-5.4	0	0	0	0	0	113.1
236	S	36.4	Very low	34.5	Very low	121 Å²	121	139.7 Å²	139.7	85%	0.846	73%	0.728	S	S	*	*			trans	67.7	150.6	167.7	-66	0	0	0	0	118.9
237	S	33.6	Very low	34.3	Very low	117 Å²	117	137.9 Å²	137.9	82%	0.818	71%	0.714	S	S	*	*			cis	-171.3	156.4	-13	50.5	0	0	0	0	112.2
238	G	35.9	Very low	34.4	Very low	65 Å²	65	141.1 Å²	141.1	67%	0.67	72%	0.718	S	S	*	*			trans	103.5	117.9	167.9	0	0	0	0	0	114
239	Q	33.1	Very low	34.2	Very low	188 Å²	188	139.2 Å²	139.2	88%	0.879	71%	0.714	S	S	*	*				58.5	114.6	55.9	-55.6	179.8	-16.4	0	0	110.4
240	D	35.9	Very low	34.2	Very low	118 Å²	118	135.8 Å²	135.8	63%	0.631	71%	0.706	S	S	*	*			cis	-159.3	174.4	46.2	-106.4	-24.2	0	0	0	110.6
241	K	37.9	Very low	34	Very low	158 Å²	158	132.4 Å²	132.4	69%	0.687	71%	0.705	S	S	*	*			cis	-157.3	132.2	12.8	-129.6	155.9	-172.5	105.8	0	112.2
242	T	34.1	Very low	33.8	Very low	102 Å²	102	134.9 Å²	134.9	63%	0.626	72%	0.718	S	S	*	*			trans	44.7	122.5	138.4	60.1	0	0	0	0	124.3
243	N	32.7	Very low	33.3	Very low	132 Å²	132	132 Å²	132	71%	0.706	71%	0.709	S	S	*	*				65.1	146.4	128.4	-54.2	-29.2	0	0	0	119.8
244	L	33.1	Very low	33	Very low	156 Å²	156	131.8 Å²	131.8	82%	0.817	71%	0.712	S	S	*	*			cis	-147.3	132.7	24.5	-168.9	78	0	0	0	108
245	R	29.6	Very low	32.8	Very low	192 Å²	192	131.9 Å²	131.9	73%	0.725	71%	0.708	S	S	*	*			cis	88.8	82.8	25.9	-160.5	-169.2	-172.3	-153.4	2.7	116.2
246	Q	35.2	Very low	32.5	Very low	172 Å²	172	135.5 Å²	135.5	80%	0.804	71%	0.713	S	S	*	*			trans	-158	117.7	135.7	-104.2	159.4	-5.2	0	0	108.2
247	E	33.8	Very low	32.3	Very low	118 Å²	118	135.4 Å²	135.4	55%	0.551	71%	0.712	S	S	*	*				73	140	82.8	-68.9	-164.9	172.8	0	0	113.8
248	K	32.8	Very low	32.1	Very low	150 Å²	150	140.7 Å²	140.7	65%	0.652	71%	0.714	S	S	*	*			cis	-157.7	124.3	-8.7	-104.5	161.7	-174.7	151.7	0	105.4
249	S	29.7	Very low	32	Very low	85 Å²	85	147.1 Å²	147.1	59%	0.594	73%	0.726	S	S	*	*				57.9	160.2	98.2	66.3	0	0	0	0	116.9
250	H	33.6	Very low	31.9	Very low	159 Å²	159	142.6 Å²	142.6	74%	0.736	72%	0.715	S	S	*	*			trans	83.2	143	172.6	-51.9	-67.8	0	0	0	118.3
251	T	30.3	Very low	31.8	Very low	107 Å²	107	145.4 Å²	145.4	66%	0.656	73%	0.73	S	S	*	*			cis	-171.6	146.4	-44	10	0	0	0	0	109.9
252	L	28.9	Very low	31.4	Very low	155 Å²	155	143.9 Å²	143.9	81%	0.812	74%	0.737	S	S	*	*			trans	62.8	178.1	157.1	-58.4	163.1	0	0	0	115.9
253	S	27.5	Very low	31.3	Very low	72 Å²	72	142.4 Å²	142.4	50%	0.503	74%	0.742	S	S	.	*				-164	171.8	-52.9	-87.6	0	0	0	0	109
254	F	28.4	Very low	31.4	Very low	191 Å²	191	148.3 Å²	148.3	84%	0.838	76%	0.755	S	S	*	*			trans	71.2	158.8	170.1	-40.1	-72.7	0	0	0	115.2
255	H	31.3	Very low	31.3	Very low	154 Å²	154	146.9 Å²	146.9	71%	0.713	75%	0.752	S	S	*	*			cis	-145.8	175.1	-1.2	-153.7	-122.7	0	0	0	112.3
256	L	28.6	Very low	31.4	Very low	134 Å²	134	143.3 Å²	143.3	70%	0.702	75%	0.754	S	S	*	*			trans	-39.1	150.3	177.4	-81.6	52.2	0	0	0	115.5
257	S	33.1	Very low	31.2	Very low	119 Å²	119	140 Å²	140	83%	0.832	75%	0.75	S	S	*	*				-165.4	154.8	67.7	-63.2	0	0	0	0	115.3
258	R	28.8	Very low	31.2	Very low	227 Å²	227	139 Å²	139	86%	0.857	76%	0.756	S	S	*	*			trans	-81.1	145.6	167.6	-66.4	173.7	172.3	163.2	-1.9	110.8
259	H	33.6	Very low	31.2	Very low	200 Å²	200	137 Å²	137	93%	0.926	75%	0.752	S	S	*	*			trans	-151.2	143.4	137.7	-119.1	-83.8	0	0	0	111.2
260	S	31.3	Very low	31.2	Very low	94 Å²	94	144 Å²	144	66%	0.657	77%	0.767	S	S	*	*			trans	-107.8	138.4	-176.6	176.4	0	0	0	0	111.1
261	L	33.4	Very low	31.3	Very low	177 Å²	177	140 Å²	140	93%	0.927	77%	0.769	S	S	*	*			trans	-151.9	152.1	147.7	-82.5	-168.2	0	0	0	110.8
262	C	30	Very low	31.7	Very low	126 Å²	126	144.2 Å²	144.2	85%	0.851	77%	0.773	S	S	*	*			trans	-92.8	151.7	-166.3	-54.5	0	0	0	0	114
263	G	31.8	Very low	31.9	Very low	71 Å²	71	145.2 Å²	145.2	73%	0.732	77%	0.767	S	S	*	*			trans	-163.4	28.6	-170.9	0	0	0	0	0	123.5
264	R	33.7	Very low	32.4	Very low	256 Å²	256	150 Å²	150	97%	0.966	79%	0.786	S	S	*	*			trans	67.5	148.1	165	-56	176	-179.8	162.7	1.8	118.6
265	V	32.8	Very low	32.7	Very low	126 Å²	126	148.4 Å²	148.4	76%	0.764	79%	0.787	S	S	*	*			trans	-90.7	158.6	179.7	-140.8	0	0	0	0	111.2
266	P	30.5	Very low	32.9	Very low	116 Å²	116	147.9 Å²	147.9	75%	0.753	78%	0.784	S	S	*	*				-146.1	168.3	91.9	37.2	-20.5	0	0	0	116.7
267	S	30.4	Very low	33	Very low	103 Å²	103	146 Å²	146	72%	0.72	78%	0.782	S	S	*	*			trans	78.2	45	160.7	72.6	0	0	0	0	121.3
268	S	33.9	Very low	32.9	Very low	97 Å²	97	150.5 Å²	150.5	68%	0.678	78%	0.782	S	S	*	*			trans	-71.3	124.2	160.2	53.3	0	0	0	0	111.9	Y270	S268-Y270 PolarHBondContact O-N 2.97Å
269	N	34.2	Very low	33.2	Very low	109 Å²	109	147.8 Å²	147.8	58%	0.583	78%	0.782	S	S	*	*			trans	-79.3	44.5	-171.9	-88.3	-88	0	0	0	115.2	G271	N269-G271 VanDerWaalsContact C-N 3.3Å; N269-G271 PolarHBondContact O-N 3.21Å
270	Y	29.3	Very low	33.3	Very low	230 Å²	230	147.4 Å²	147.4	90%	0.902	78%	0.78	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.8	78.7	178.2	-109	-95.8	0	0	0	112.1	S268	S268-Y270 PolarHBondContact O-N 2.97Å
271	G	35.7	Very low	33.5	Very low	75 Å²	75	151.2 Å²	151.2	77%	0.773	79%	0.792	S	S	*	*	T	Hydrogen-bonded Turn	trans	177.4	-4.2	178.4	0	0	0	0	0	116.7	N269	N269-G271 VanDerWaalsContact C-N 3.3Å; N269-G271 PolarHBondContact O-N 3.21Å
272	R	39.5	Very low	33.5	Very low	197 Å²	197	150.1 Å²	150.1	74%	0.743	79%	0.787	S	S	*	*	S	Bend	trans	-100.3	-6.1	-176.9	-69.9	-172.3	175.1	-160.5	-2.1	115.9
273	Y	32.9	Very low	33.7	Very low	175 Å²	175	150.5 Å²	150.5	69%	0.686	78%	0.781	S	S	*	*			trans	-115	68.1	-171.2	-72.4	-85.5	0	0	0	113.6
274	L	36.3	Very low	33.7	Very low	172 Å²	172	156.3 Å²	156.3	90%	0.901	79%	0.789	S	S	*	*	S	Bend	trans	-142.3	34.8	168.2	-85.9	-178.1	0	0	0	112.3
275	N	36.7	Very low	33.7	Very low	159 Å²	159	151.3 Å²	151.3	85%	0.85	78%	0.78	S	S	*	*	S	Bend	trans	-154	33.5	-178.7	-138.6	-10.3	0	0	0	113.5
276	Q	34.9	Very low	33.6	Very low	143 Å²	143	150.8 Å²	150.8	67%	0.668	78%	0.779	S	S	*	*			trans	-123.8	-0.9	-174.8	-72	-175.6	-7.6	0	0	114.7
277	S	29.7	Very low	33.7	Very low	93 Å²	93	153 Å²	153	65%	0.65	78%	0.783	S	S	*	*	S	Bend	trans	-103.1	41.9	-176.7	48.4	0	0	0	0	114
278	Y	31.7	Very low	33.7	Very low	215 Å²	215	152.9 Å²	152.9	84%	0.843	78%	0.78	S	S	*	*	S	Bend	trans	-146.4	150.7	164.3	-98	-81.3	0	0	0	109.8
279	M	35.1	Very low	33.6	Very low	170 Å²	170	156.2 Å²	156.2	84%	0.837	79%	0.79	S	S	*	*			trans	77.5	53.2	178.3	-54.1	-78.3	88.7	0	0	117.4
280	Q	36.4	Very low	33.6	Very low	191 Å²	191	157.2 Å²	157.2	89%	0.893	80%	0.795	S	S	*	*			trans	-129.9	109.1	142.5	-81.4	-174.4	-20	0	0	110
281	L	34.7	Very low	33.8	Very low	174 Å²	174	152.6 Å²	152.6	91%	0.911	79%	0.786	S	S	*	*			trans	177.7	103.5	146.9	-101.3	167.7	0	0	0	108.7
282	N	33.4	Very low	33.8	Very low	154 Å²	154	159.1 Å²	159.1	82%	0.824	79%	0.788	S	S	*	*			trans	-80.7	117.2	168.2	-79.6	-19.3	0	0	0	108.9
283	N	34.9	Very low	33.4	Very low	135 Å²	135	159.6 Å²	159.6	72%	0.722	79%	0.791	S	S	*	*	S	Bend		162	125.8	128.3	-81.2	-24.6	0	0	0	112.8	I285	N283-I285 PolarHBondContact O-N 3.37Å
284	Q	30.9	Very low	33.6	Very low	192 Å²	192	158.9 Å²	158.9	90%	0.897	79%	0.791	S	S	*	*			trans	47.4	64.6	148.8	-53.7	-173.8	36.9	0	0	119
285	I	34.1	Very low	33.6	Very low	151 Å²	151	159.9 Å²	159.9	77%	0.774	78%	0.783	S	S	*	*			trans	-131.1	138.8	160.4	-58.5	-178.2	0	0	0	109.5	N283	N283-I285 PolarHBondContact O-N 3.37Å
286	P	31.2	Very low	33.3	Very low	116 Å²	116	159.3 Å²	159.3	75%	0.753	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-66.6	146.7	-179.2	-21	33.8	0	0	0	114	P288	P286-P288 WeakPolarHBondContact O-CD 3.46Å
287	I	31.9	Very low	33.2	Very low	161 Å²	161	160.5 Å²	160.5	83%	0.826	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-83.6	121.8	-176.5	-56.5	169.8	0	0	0	111.3
288	P	30.3	Very low	33.3	Very low	102 Å²	102	161.4 Å²	161.4	66%	0.662	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-83.8	140.5	167.1	-7.4	26.8	0	0	0	111.4	P286 N290	P286-P288 WeakPolarHBondContact O-CD 3.46Å; P288-N290 PolarHBondContact O-N 3.05Å
289	N	31.3	Very low	33.2	Very low	167 Å²	167	157 Å²	157	89%	0.893	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-62.6	126.2	176	-75.3	-36.5	0	0	0	111.8
290	N	34.6	Very low	33.2	Very low	129 Å²	129	153 Å²	153	69%	0.69	78%	0.777	S	S	*	*			trans	-142.8	55.5	-176.2	-130.3	-18.3	0	0	0	114.6	P288 R292	P288-N290 PolarHBondContact O-N 3.05Å; N290-R292 PolarHBondContact O-N 3.21Å
291	D	34.4	Very low	33.1	Very low	133 Å²	133	150 Å²	150	71%	0.711	77%	0.772	S	S	*	*			trans	-80.8	58.6	173.4	-157.7	-3.1	0	0	0	110.9	K294	D291-K294 IonicContact OD1-NZ 2.84Å; D291-K294 PolarHBondContact OD1-NZ 3.3Å; D291-K294 IonicContact OD2-NZ 3.15Å; D291-K294 PolarHBondContact OD2-NZ 2.7Å
292	R	35.5	Very low	32.9	Very low	213 Å²	213	149.7 Å²	149.7	80%	0.804	77%	0.771	S	S	*	*			trans	-111.9	30.6	-171.8	-84.6	-171.6	169.9	-174.1	-0.8	115.2	N290	N290-R292 PolarHBondContact O-N 3.21Å
293	Y	29.9	Very low	32.8	Very low	206 Å²	206	149.5 Å²	149.5	81%	0.808	77%	0.769	S	S	*	*			trans	-132.6	58.7	173.6	-92	-78.3	0	0	0	113.9
294	K	37.8	Very low	32.9	Very low	160 Å²	160	149.8 Å²	149.8	70%	0.696	78%	0.776	S	S	*	*			trans	-126.2	104.2	163.3	-69	-178.6	-173.2	98.8	0	109.3	D291	D291-K294 IonicContact OD1-NZ 2.84Å; D291-K294 PolarHBondContact OD1-NZ 3.3Å; D291-K294 IonicContact OD2-NZ 3.15Å; D291-K294 PolarHBondContact OD2-NZ 2.7Å
295	R	36.2	Very low	33.2	Very low	193 Å²	193	146 Å²	146	73%	0.728	77%	0.771	S	S	*	*			trans	-77.9	127.6	176.8	-67.7	-179.3	-176.9	140.6	2.3	110.3
296	N	29.6	Very low	33.9	Very low	148 Å²	148	143 Å²	143	79%	0.791	76%	0.763	S	S	*	*			trans	24.2	97.7	149.2	-53.5	9.9	0	0	0	116.1
297	L	34.1	Very low	34.8	Very low	168 Å²	168	144.7 Å²	144.7	88%	0.88	76%	0.761	S	S	*	*			trans	-109.2	118.5	154.2	-155.6	77.5	0	0	0	106.7	T299	L297-T299 PolarHBondContact O-N 2.84Å
298	S	31.4	Very low	35.8	Very low	112 Å²	112	139.3 Å²	139.3	78%	0.783	74%	0.737	S	S	*	*			trans	-65.9	105	-165.4	-51.3	0	0	0	0	112.9	T300	S298-T300 PolarHBondContact O-N 2.68Å
299	T	30.5	Very low	36.7	Very low	122 Å²	122	141.1 Å²	141.1	75%	0.748	73%	0.73	S	S	*	*			trans	-79.5	81.3	175.9	50.2	0	0	0	0	111	L297 T301	L297-T299 PolarHBondContact O-N 2.84Å; T299-T301 PolarHBondContact O-N 3.23Å
300	T	33.9	Very low	37.9	Very low	86 Å²	86	140.2 Å²	140.2	53%	0.528	72%	0.721	S	S	.	*			trans	-64.8	124.1	164.3	54.7	0	0	0	0	109.4	S298 R309	S298-T300 PolarHBondContact O-N 2.68Å; T300-R309 PolarHBondContact OG1-NH1 3.35Å; T300-R309 PolarHBondContact OG1-NH2 3.35Å
301	T	35.3	Very low	39	Very low	128 Å²	128	136.3 Å²	136.3	79%	0.785	70%	0.698	S	S	*	*			trans	-60.6	150	175.6	40.1	0	0	0	0	112.3	T299 N303	T299-T301 PolarHBondContact O-N 3.23Å; T301-N303 PolarHBondContact O-N 3.41Å
302	L	29.9	Very low	40	Very low	168 Å²	168	135.9 Å²	135.9	88%	0.88	69%	0.691	S	S	*	*			trans	-77	104	176	-75.3	162.9	0	0	0	110
303	N	32	Very low	40.9	Very low	149 Å²	149	126.6 Å²	126.6	80%	0.797	66%	0.658	S	S	*	*			trans	-155.5	151	156.7	-110	-27.4	0	0	0	111	T301	T301-N303 PolarHBondContact O-N 3.41Å
304	T	35.6	Very low	42	Very low	142 Å²	142	121.1 Å²	121.1	87%	0.871	65%	0.647	S	S	*	*			trans	65.7	141.9	-170.9	74.3	0	0	0	0	115.5
305	S	37.2	Very low	42.3	Very low	112 Å²	112	119.6 Å²	119.6	78%	0.783	65%	0.647	S	S	*	*			trans	-131.9	102.3	-169.7	164.3	0	0	0	0	111.3
306	S	50.3	Low	42.5	Very low	87 Å²	87	112.6 Å²	112.6	61%	0.608	64%	0.635	S	S	*	*			trans	-169.8	-36.7	170.2	52.1	0	0	0	0	113.5
307	Q	49.7	Very low	42.9	Very low	152 Å²	152	109.4 Å²	109.4	71%	0.71	64%	0.636	S	S	*	*			trans	-80.9	129.4	-168.2	-69.9	-72.3	-5.6	0	0	114.3
308	P	51.9	Low	43.2	Very low	49 Å²	49	109.5 Å²	109.5	32%	0.318	63%	0.63	S	S	.	*			trans	-65.8	136.3	168.4	23.4	-29.6	0	0	0	111.8	W107	W107-P308 HydrophobicContact CE3-CB 3.91Å; W107-P308 HydrophobicContact CE3-CG 4.32Å; W107-P308 HydrophobicContact CZ3-CB 4.27Å; W107-P308 HydrophobicContact CZ3-CG 4.17Å
309	R	50	Low	43.7	Very low	139 Å²	139	106.4 Å²	106.4	53%	0.525	61%	0.608	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-113	122.1	176.4	-73.2	175.2	170.8	-111.4	8.6	111.6	T105 V106 T300	T105-R309 VanDerWaalsContact CA-O 3.32Å; T105-R309 WeakPolarHBondContact CA-O 3.35Å; V106-R309 PolarHBondContact N-O 3.03Å; V106-R309 PolarHBondContact O-N 3.35Å; T300-R309 PolarHBondContact OG1-NH1 3.35Å; T300-R309 PolarHBondContact OG1-NH2 3.35Å
310	Q	57.3	Low	44.5	Very low	149 Å²	149	105.8 Å²	105.8	70%	0.696	59%	0.592	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-85.6	145.7	174.4	-62.1	-174.8	24.8	0	0	111.3	T105	T105-Q310 HydrophobicContact CG2-CB 4.38Å; T105-Q310 HydrophobicContact CG2-CG 3.65Å
311	F	56.5	Low	44.9	Very low	46 Å²	46	108.4 Å²	108.4	20%	0.202	60%	0.597	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-150.9	154.4	165.1	51.7	-85.1	0	0	0	110.8	A79 F89 V104 V106 F111 L313	A79-F311 HydrophobicContact CB-CE2 4.2Å; A79-F311 HydrophobicContact CB-CZ 4.41Å; F89-F311 HydrophobicContact CZ-CE2 4.49Å; V104-F311 HydrophobicContact CB-CD2 4.31Å; V104-F311 HydrophobicContact CB-CE2 3.74Å; V104-F311 HydrophobicContact CB-CZ 3.87Å; V104-F311 HydrophobicContact CG1-CE1 4.45Å; V104-F311 HydrophobicContact CG1-CE2 4.03Å; V104-F311 HydrophobicContact CG1-CZ 3.71Å; V104-F311 PolarHBondContact N-O 3.14Å; V104-F311 PolarHBondContact O-N 2.67Å; V106-F311 HydrophobicContact CB-CE1 4.04Å; V106-F311 HydrophobicContact CG2-CE1 3.55Å; V106-F311 HydrophobicContact CG2-CZ 3.8Å; F111-F311 HydrophobicContact CD1-CZ 4.01Å; F111-F311 HydrophobicContact CE1-CZ 4.05Å; F311-L313 HydrophobicContact CD2-CD1 4.37Å; F311-L313 HydrophobicContact CE2-CD1 4.21Å
312	H	55.1	Low	45.2	Very low	124 Å²	124	103.4 Å²	103.4	57%	0.574	57%	0.565	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-94.9	138.5	173	-77.4	-103.9	0	0	0	110.4	R103	R103-H312 WeakPolarHBondContact CD-NE2 3.29Å; R103-H312 WeakPolarHBondContact CG-CE1 3.5Å; R103-H312 WeakPolarHBondContact CG-NE2 3.41Å
313	L	55.1	Low	45.7	Very low	19 Å²	19	99.3 Å²	99.3	10%	0.099	55%	0.549	C	S	.	.	P	Polyproline II helix	trans	-72.9	138.2	162.7	-87.2	66.1	0	0	0	109.2	V77 F89 F98 R99 G101 D102 V104 F311	V77-L313 HydrophobicContact CG1-CD2 4.35Å; F89-L313 HydrophobicContact CD1-CD2 4.21Å; F89-L313 HydrophobicContact CE1-CD1 3.92Å; F89-L313 HydrophobicContact CE1-CD2 3.81Å; F89-L313 HydrophobicContact CE1-CG 4.37Å; F89-L313 HydrophobicContact CZ-CD1 4.36Å; F98-L313 HydrophobicContact CB-CD2 4.19Å; R99-L313 WeakPolarHBondContact O-CD2 3.36Å; G101-L313 VanDerWaalsContact CA-O 3.25Å; G101-L313 WeakPolarHBondContact CA-O 3.32Å; G101-L313 PolarHBondContact N-O 3.4Å; D102-L313 PolarHBondContact O-N 3.1Å; V104-L313 HydrophobicContact CB-CD1 4.2Å; V104-L313 HydrophobicContact CG2-CD1 3.55Å; F311-L313 HydrophobicContact CD2-CD1 4.37Å; F311-L313 HydrophobicContact CE2-CD1 4.21Å
314	P	52.2	Low	46	Very low	90 Å²	90	97.9 Å²	97.9	58%	0.584	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-66.2	147	176.2	28.8	-35	0	0	0	111.3	P100	P100-P314 VanDerWaalsContact CB-O 3.26Å; P100-P314 WeakPolarHBondContact CB-O 3.43Å
315	D	43.9	Very low	46.3	Very low	128 Å²	128	91.5 Å²	91.5	68%	0.684	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-57.1	152.3	176.9	-77.7	-56.6	0	0	0	113.5	G317 K318	D315-G317 PolarHBondContact O-N 3.5Å; D315-K318 PolarHBondContact O-N 2.64Å
316	G	40.2	Very low	46.7	Very low	47 Å²	47	89 Å²	89	49%	0.485	49%	0.49	S	S	.	.	G	3₁₀ helix	trans	-60.3	-7.7	-164.2	0	0	0	0	0	117.3	K318	G316-K318 PolarHBondContact O-N 2.71Å
317	G	38.4	Very low	46.4	Very low	80 Å²	80	89 Å²	89	83%	0.825	48%	0.479	S	S	*	.	G	3₁₀ helix	trans	-73.7	3.2	175.5	0	0	0	0	0	115.5	D315	D315-G317 PolarHBondContact O-N 3.5Å
318	K	41.7	Very low	45.7	Very low	170 Å²	170	87.5 Å²	87.5	74%	0.739	47%	0.47	S	S	*	.	G	3₁₀ helix	trans	-134.1	42.1	-177.7	-64.6	-179.7	-176.6	169.6	0	113.5	D315 G316 R320	D315-K318 PolarHBondContact O-N 2.64Å; G316-K318 PolarHBondContact O-N 2.71Å; K318-R320 PolarHBondContact O-N 2.84Å
319	S	41.2	Very low	44.9	Very low	48 Å²	48	91.5 Å²	91.5	34%	0.336	48%	0.48	S	S	.	.			trans	-65.3	122.1	168.5	63.1	0	0	0	0	110.3	E75 F321	E75-S319 WeakPolarHBondContact OE1-CB 3.45Å; E75-S319 PolarHBondContact OE1-OG 2.82Å; S319-F321 PolarHBondContact O-N 3.37Å; S319-F321 VanDerWaalsContact O-N 3.12Å
320	R	46.7	Very low	44	Very low	109 Å²	109	89.1 Å²	89.1	41%	0.411	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	95.9	171.6	-93.1	178.4	-85.9	150.3	2.4	108.2	T78 K318 L322 F328	T78-R320 PolarHBondContact OG1-NH1 2.92Å; T78-R320 PolarHBondContact OG1-NH2 2.94Å; K318-R320 PolarHBondContact O-N 2.84Å; R320-L322 HydrophobicContact CB-CD2 4.34Å; R320-L322 PolarHBondContact O-N 2.59Å; R320-F328 VanDerWaalsContact NH1-CZ 3.26Å
321	F	42.5	Very low	42.7	Very low	141 Å²	141	87.6 Å²	87.6	62%	0.618	49%	0.491	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.1	114.1	153	-91.6	-96.2	0	0	0	107.8	E75 S319	E75-F321 HydrophobicContact CG-CD2 4.13Å; E75-F321 HydrophobicContact CG-CE2 3.61Å; E75-F321 HydrophobicContact CG-CZ 3.83Å; S319-F321 PolarHBondContact O-N 3.37Å; S319-F321 VanDerWaalsContact O-N 3.12Å
322	L	42	Very low	41.4	Very low	22 Å²	22	92 Å²	92	12%	0.115	52%	0.516	C	S	.	.	P	Polyproline II helix	trans	-90.7	118.6	169	-63.6	-171.5	0	0	0	108	V76 R320 F328	V76-L322 HydrophobicContact CB-CD1 4.14Å; V76-L322 HydrophobicContact CB-CG 4.31Å; V76-L322 HydrophobicContact CG1-CD1 4.15Å; V76-L322 HydrophobicContact CG2-CD1 3.98Å; V76-L322 HydrophobicContact CG2-CG 4.17Å; R320-L322 HydrophobicContact CB-CD2 4.34Å; R320-L322 PolarHBondContact O-N 2.59Å; L322-F328 HydrophobicContact CD1-CE2 4.43Å; L322-F328 HydrophobicContact CD2-CE2 3.96Å; L322-F328 HydrophobicContact CD2-CZ 4.23Å
323	P	40.2	Very low	40.2	Very low	83 Å²	83	95.5 Å²	95.5	54%	0.539	53%	0.53	S	S	.	.	P	Polyproline II helix	trans	-65.3	149	167	29.3	-32.9	0	0	0	109.1	G325 T326	P323-G325 PolarHBondContact O-N 3.49Å; P323-G325 VanDerWaalsContact O-N 3.08Å; P323-T326 HydrophobicContact CG-CG2 3.76Å; P323-T326 PolarHBondContact O-N 2.89Å; P323-T326 PolarHBondContact O-OG1 3.26Å
324	P	39.1	Very low	38.9	Very low	118 Å²	118	98.4 Å²	98.4	77%	0.766	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.8	118	179.9	-26.4	35.1	0	0	0	112
325	G	42.2	Very low	37.8	Very low	8 Å²	8	106 Å²	106	8%	0.082	58%	0.582	C	S	.	*	T	Hydrogen-bonded Turn	trans	112.7	-9	176.1	0	0	0	0	0	117	P323 K327	P323-G325 PolarHBondContact O-N 3.49Å; P323-G325 VanDerWaalsContact O-N 3.08Å; G325-K327 PolarHBondContact O-N 2.76Å
326	T	45.2	Very low	37.2	Very low	59 Å²	59	105.4 Å²	105.4	36%	0.362	59%	0.587	S	S	.	*			trans	-75.3	109.3	177	46.3	0	0	0	0	112.4	P323	P323-T326 HydrophobicContact CG-CG2 3.76Å; P323-T326 PolarHBondContact O-N 2.89Å; P323-T326 PolarHBondContact O-OG1 3.26Å
327	K	43.3	Very low	36.6	Very low	89 Å²	89	107.8 Å²	107.8	39%	0.387	60%	0.603	S	S	.	*			trans	-83.6	142	158.3	-66.1	-159.5	147.4	171.8	0	110.7	Y60 F61 G325 Y329	Y60-K327 WeakPolarHBondContact O-CE 3.28Å; Y60-K327 PolarHBondContact O-NZ 3.04Å; F61-K327 WeakPolarHBondContact O-CG 3.44Å; G325-K327 PolarHBondContact O-N 2.76Å; K327-Y329 HydrophobicContact CB-CD2 4.1Å; K327-Y329 HydrophobicContact CB-CE2 3.92Å; K327-Y329 PolarHBondContact O-N 3.43Å
328	F	35.9	Very low	36.3	Very low	120 Å²	120	109.1 Å²	109.1	53%	0.526	60%	0.599	S	S	.	*			trans	-76.4	109.7	153.4	-72.3	-77	0	0	0	108.5	T78 R320 L322	T78-F328 HydrophobicContact CG2-CE2 4.48Å; R320-F328 VanDerWaalsContact NH1-CZ 3.26Å; L322-F328 HydrophobicContact CD1-CE2 4.43Å; L322-F328 HydrophobicContact CD2-CE2 3.96Å; L322-F328 HydrophobicContact CD2-CZ 4.23Å
329	Y	33.7	Very low	35.8	Very low	132 Å²	132	106.3 Å²	106.3	52%	0.518	60%	0.601	S	S	.	*			trans	-82.4	118.7	161.6	-78.4	-95	0	0	0	108.5	K47 K327 T331	K47-Y329 WeakPolarHBondContact CE-OH 3.35Å; K47-Y329 PolarHBondContact NZ-OH 2.9Å; K327-Y329 HydrophobicContact CB-CD2 4.1Å; K327-Y329 HydrophobicContact CB-CE2 3.92Å; K327-Y329 PolarHBondContact O-N 3.43Å; Y329-T331 PolarHBondContact O-N 3.37Å
330	A	32.5	Very low	35.1	Very low	90 Å²	90	108.6 Å²	108.6	74%	0.744	62%	0.623	S	S	*	*			trans	-78.5	77.7	164.5	0	0	0	0	0	108.5	L332	A330-L332 PolarHBondContact O-N 2.87Å
331	T	29.4	Very low	34.4	Very low	117 Å²	117	111.6 Å²	111.6	72%	0.718	65%	0.645	S	S	*	*			trans	-75.5	61.2	179.8	-38.8	0	0	0	0	111	Y329 F333	Y329-T331 PolarHBondContact O-N 3.37Å; T331-F333 VanDerWaalsContact C-N 3.34Å
332	L	29	Very low	33.7	Very low	138 Å²	138	109.4 Å²	109.4	72%	0.723	65%	0.647	S	S	*	*			trans	-96.5	31.6	179.5	-82.7	173.2	0	0	0	113.1	A330	A330-L332 PolarHBondContact O-N 2.87Å
333	F	30.6	Very low	33.2	Very low	197 Å²	197	114.6 Å²	114.6	86%	0.864	68%	0.683	S	S	*	*	S	Bend	trans	-131.8	123.8	160.8	-76.9	-74.4	0	0	0	109.5	T331	T331-F333 VanDerWaalsContact C-N 3.34Å
334	G	26.4	Very low	32.7	Very low	81 Å²	81	117.8 Å²	117.8	84%	0.835	69%	0.694	S	S	*	*			trans	-80.2	125.2	176.4	0	0	0	0	0	111.3
335	R	30.8	Very low	32.3	Very low	249 Å²	249	122 Å²	122	94%	0.94	70%	0.696	S	S	*	*			trans	-121	130.6	145.4	-87.9	-171.1	164.4	-168.1	-5.5	108
336	S	31	Very low	31.7	Very low	115 Å²	115	127.5 Å²	127.5	80%	0.804	72%	0.724	S	S	*	*			trans	-65.2	150.6	-172.8	-51.2	0	0	0	0	111.8	S338	S336-S338 PolarHBondContact O-N 3.16Å
337	A	26.9	Very low	31.1	Very low	98 Å²	98	129.8 Å²	129.8	81%	0.81	73%	0.734	S	S	*	*			trans	-76.4	112.2	167.6	0	0	0	0	0	109.8
338	S	32.9	Very low	30.6	Very low	107 Å²	107	131.5 Å²	131.5	75%	0.748	75%	0.747	S	S	*	*			trans	-123.6	110.3	157.7	-54.2	0	0	0	0	105.6	S336	S336-S338 PolarHBondContact O-N 3.16Å
339	S	30.2	Very low	30.3	Very low	112 Å²	112	132 Å²	132	78%	0.783	76%	0.755	S	S	*	*				61.8	106.6	66.3	-55.7	0	0	0	0	110.6
340	A	27.8	Very low	30.2	Very low	95 Å²	95	131.8 Å²	131.8	79%	0.785	77%	0.768	S	S	*	*			trans	-17.9	134.1	-175.9	0	0	0	0	0	119.6
341	I	30.2	Very low	30.4	Very low	172 Å²	172	132.8 Å²	132.8	88%	0.882	77%	0.77	S	S	*	*				-159.8	149.5	128.7	-99.3	148.7	0	0	0	108.8
342	S	29.5	Very low	30.6	Very low	95 Å²	95	133.4 Å²	133.4	66%	0.664	77%	0.774	S	S	*	*			trans	-86.4	144.3	-173.8	-53.7	0	0	0	0	113.2	L344	S342-L344 PolarHBondContact O-N 2.98Å
343	P	29.7	Very low	31	Very low	132 Å²	132	132.2 Å²	132.2	86%	0.857	77%	0.774	S	S	*	*			trans	-78.9	108.5	163.9	31.6	-30.5	0	0	0	109.7
344	L	29.9	Very low	31	Very low	150 Å²	150	133.6 Å²	133.6	79%	0.785	77%	0.773	S	S	*	*			trans	-121	135.7	167.1	-72.5	176	0	0	0	110	S342	S342-L344 PolarHBondContact O-N 2.98Å
345	Y	30.6	Very low	31.4	Very low	205 Å²	205	134.2 Å²	134.2	80%	0.804	77%	0.765	S	S	*	*			trans	-17.6	150.1	162.9	-75.7	-91	0	0	0	116.7
346	N	30.3	Very low	31.5	Very low	125 Å²	125	128 Å²	128	67%	0.668	76%	0.755	S	S	*	*			cis	-163.5	145.3	49.2	-140.6	6.3	0	0	0	115.2
347	N	32.7	Very low	31.6	Very low	106 Å²	106	129 Å²	129	57%	0.567	75%	0.752	S	S	*	*			trans	24.6	140.7	134	-64.8	4.9	0	0	0	122.7
348	N	32.5	Very low	31.8	Very low	125 Å²	125	129.9 Å²	129.9	67%	0.668	75%	0.747	S	S	*	*				-172.3	131.9	92.7	-93	-36.5	0	0	0	113.8
349	N	30.4	Very low	31.6	Very low	130 Å²	130	129.3 Å²	129.3	70%	0.695	75%	0.748	S	S	*	*			trans	50	151	134.8	-42.6	-26	0	0	0	119.7
350	T	31.8	Very low	31.7	Very low	129 Å²	129	129.1 Å²	129.1	79%	0.791	75%	0.747	S	S	*	*			cis	-154.3	157.2	11.5	-20.8	0	0	0	0	105.3
351	S	35.1	Very low	31.7	Very low	110 Å²	110	131.6 Å²	131.6	77%	0.769	75%	0.753	S	S	*	*			cis	-158.9	167.5	36.2	-61.2	0	0	0	0	113.5
352	T	33.5	Very low	31.9	Very low	131 Å²	131	127.2 Å²	127.2	80%	0.804	75%	0.75	S	S	*	*			trans	-104.6	180	179.1	41	0	0	0	0	112.2
353	P	38.1	Very low	32	Very low	112 Å²	112	128.9 Å²	128.9	73%	0.727	76%	0.756	S	S	*	*			cis	-143.3	-171.3	-34.9	36.9	-17.4	0	0	0	115.2
354	R	30	Very low	32.2	Very low	226 Å²	226	129.8 Å²	129.8	85%	0.853	75%	0.754	S	S	*	*			trans	82.4	117.7	136.3	-170.1	-174.4	-170	-172.8	3.6	120.6
355	S	35.9	Very low	32.3	Very low	95 Å²	95	129.3 Å²	129.3	66%	0.664	75%	0.752	S	S	*	*			trans	163.5	114.9	132.5	-74.5	0	0	0	0	108.6
356	T	32.7	Very low	32.4	Very low	117 Å²	117	129.5 Å²	129.5	72%	0.718	76%	0.757	S	S	*	*				50.7	130.7	94.3	58.7	0	0	0	0	114.2
357	N	33.4	Very low	32.6	Very low	138 Å²	138	131.7 Å²	131.7	74%	0.738	76%	0.764	S	S	*	*			cis	-160.2	160.4	21.5	-122.3	-1.2	0	0	0	115.2
358	T	29.9	Very low	32.9	Very low	115 Å²	115	130.9 Å²	130.9	71%	0.706	76%	0.764	S	S	*	*			trans	18.4	133.1	149.6	57.5	0	0	0	0	123.9
359	A	29.8	Very low	33	Very low	95 Å²	95	130.6 Å²	130.6	79%	0.785	76%	0.763	S	S	*	*			trans	67.5	164.2	144.3	0	0	0	0	0	117.6
360	S	31.6	Very low	33	Very low	109 Å²	109	130.8 Å²	130.8	76%	0.762	76%	0.762	S	S	*	*			cis	-141.6	171.6	10.6	-59.9	0	0	0	0	113
361	T	28.9	Very low	33.1	Very low	146 Å²	146	132.7 Å²	132.7	90%	0.896	77%	0.765	S	S	*	*			trans	-44.2	141.4	167	44.5	0	0	0	0	116
362	G	33.6	Very low	32.8	Very low	80 Å²	80	132.8 Å²	132.8	83%	0.825	76%	0.762	S	S	*	*			trans	-158.8	116.8	164.5	0	0	0	0	0	112
363	T	30.5	Very low	32.6	Very low	130 Å²	130	131.2 Å²	131.2	80%	0.798	76%	0.756	S	S	*	*			trans	-97.2	140.7	-179.9	48.9	0	0	0	0	112.1
364	N	34.9	Very low	32.2	Very low	152 Å²	152	136.9 Å²	136.9	81%	0.813	76%	0.763	S	S	*	*			trans	-173.3	129.4	152.4	-87.2	-27.3	0	0	0	105.7
365	N	31.3	Very low	32.2	Very low	139 Å²	139	131.4 Å²	131.4	74%	0.743	76%	0.759	S	S	*	*			cis	55.6	99.9	38.6	-70.2	-8.5	0	0	0	113.6
366	F	33.6	Very low	32.2	Very low	209 Å²	209	134.6 Å²	134.6	92%	0.917	77%	0.768	S	S	*	*				177.3	136.8	119.3	-97.4	-70.9	0	0	0	112.5
367	H	34.1	Very low	32.1	Very low	172 Å²	172	134.6 Å²	134.6	80%	0.796	76%	0.764	S	S	*	*			trans	-118.2	162.6	163.4	-160	-108	0	0	0	104.4
368	P	39.7	Very low	32	Very low	88 Å²	88	136.8 Å²	136.8	57%	0.571	77%	0.766	S	S	*	*			cis	-121.9	-142.7	28.5	24.6	3.8	0	0	0	111.5
369	D	34.3	Very low	32.5	Very low	120 Å²	120	135.9 Å²	135.9	64%	0.642	76%	0.762	S	S	*	*			cis	-143.7	148.2	15	-92.8	-55.1	0	0	0	110.8
370	I	29.9	Very low	32.7	Very low	133 Å²	133	140.1 Å²	140.1	68%	0.682	76%	0.764	S	S	*	*				57.4	107.9	75.7	-51.4	-176.7	0	0	0	114.9
371	I	34.5	Very low	32.6	Very low	169 Å²	169	138.8 Å²	138.8	87%	0.867	76%	0.759	S	S	*	*			trans	-166.9	159.8	132.8	-101.5	159.3	0	0	0	108.9
372	T	29.2	Very low	32.6	Very low	113 Å²	113	140.3 Å²	140.3	69%	0.693	76%	0.761	S	S	*	*			trans	-129.9	148	-151.2	49.7	0	0	0	0	117.2
373	S	28.3	Very low	32.5	Very low	97 Å²	97	141.1 Å²	141.1	68%	0.678	75%	0.754	S	S	*	*			trans	84.2	151.7	141.1	84.4	0	0	0	0	121.9
374	R	30.5	Very low	32.4	Very low	232 Å²	232	139.3 Å²	139.3	88%	0.875	75%	0.752	S	S	*	*			trans	64.4	108	160	-63.9	163.9	-178.7	-171.8	0.1	116.3
375	S	30.2	Very low	32.2	Very low	110 Å²	110	141.1 Å²	141.1	77%	0.769	75%	0.753	S	S	*	*				76.6	111.8	60	-174.4	0	0	0	0	114.3
376	L	35.8	Very low	32.1	Very low	162 Å²	162	142 Å²	142	85%	0.848	76%	0.758	S	S	*	*			trans	-168.4	111.7	148.5	-106.8	166.7	0	0	0	114.4
377	N	29.3	Very low	32.2	Very low	118 Å²	118	140.1 Å²	140.1	63%	0.631	76%	0.756	S	S	*	*			trans	6.7	139	148.7	-76.9	-67.7	0	0	0	124.7
378	K	32.1	Very low	32	Very low	183 Å²	183	139.7 Å²	139.7	80%	0.796	75%	0.754	S	S	*	*			trans	74.6	168.6	130.1	-73.5	177.5	-175.3	-178.1	0	120.3
379	P	40.5	Very low	31.6	Very low	96 Å²	96	141.1 Å²	141.1	62%	0.623	76%	0.757	S	S	*	*			cis	-136.4	-136.1	-40.1	41	-22.9	0	0	0	112.7
380	F	34.1	Very low	31.7	Very low	185 Å²	185	145.4 Å²	145.4	81%	0.811	77%	0.77	S	S	*	*			trans	72.7	120.8	-179.9	-56	-76.5	0	0	0	115.8
381	A	30.2	Very low	31.7	Very low	81 Å²	81	145.9 Å²	145.9	67%	0.669	77%	0.773	S	S	*	*			cis	79.4	125.7	2.4	0	0	0	0	0	119.2
382	L	28.4	Very low	31.7	Very low	178 Å²	178	147.9 Å²	147.9	93%	0.932	78%	0.776	S	S	*	*			trans	67.4	157.1	176	-51.3	176.3	0	0	0	114.5
383	S	31	Very low	31.7	Very low	97 Å²	97	147.3 Å²	147.3	68%	0.678	77%	0.772	S	S	*	*			cis	-139.5	175.3	0.2	56	0	0	0	0	111.3
384	A	27.7	Very low	32	Very low	91 Å²	91	150.9 Å²	150.9	75%	0.752	78%	0.784	S	S	*	*			trans	-85.7	149	176.5	0	0	0	0	0	112.7
385	F	31.9	Very low	32	Very low	190 Å²	190	148.6 Å²	148.6	83%	0.833	78%	0.78	S	S	*	*			trans	-137.6	114.4	157.1	-87.3	-77.1	0	0	0	110.6
386	N	29.1	Very low	32	Very low	158 Å²	158	151.1 Å²	151.1	85%	0.845	78%	0.784	S	S	*	*			trans	-73.4	140.5	154.4	-86.9	-43.9	0	0	0	108.1
387	L	34.5	Very low	31.6	Very low	169 Å²	169	147.9 Å²	147.9	89%	0.885	78%	0.775	S	S	*	*			trans	-147.4	146	153.4	-114.4	169.9	0	0	0	109.9
388	H	31.4	Very low	31.6	Very low	163 Å²	163	150 Å²	150	76%	0.755	79%	0.785	S	S	*	*			trans	-92.6	170.5	-168.7	-112.9	36.9	0	0	0	112.7
389	D	31.6	Very low	31.4	Very low	118 Å²	118	145.6 Å²	145.6	63%	0.631	78%	0.778	S	S	*	*			trans	53.8	118.3	154.6	-69	-53.7	0	0	0	120.2
390	K	36.5	Very low	30.8	Very low	211 Å²	211	148.3 Å²	148.3	92%	0.917	79%	0.793	S	S	*	*				-148.1	105.6	113.4	-115	160.5	-171.2	171.5	0	112.8
391	L	28.9	Very low	30.7	Very low	142 Å²	142	144.5 Å²	144.5	74%	0.743	79%	0.785	S	S	*	*			trans	-56.7	138.9	164.9	-71.7	160.2	0	0	0	110.9
392	K	35.1	Very low	30.6	Very low	212 Å²	212	146.5 Å²	146.5	92%	0.922	79%	0.789	S	S	*	*			trans	-136.8	112.4	141.9	-107.9	-171.3	176.1	-171	0	109.4
393	T	29.4	Very low	30.6	Very low	101 Å²	101	142.7 Å²	142.7	62%	0.62	78%	0.777	S	S	*	*			trans	-78.4	147.8	172.1	52.1	0	0	0	0	110.3
394	D	34.6	Very low	30.6	Very low	172 Å²	172	142.5 Å²	142.5	92%	0.92	77%	0.772	S	S	*	*			trans	-139.4	152.9	139.1	-95.6	-48.2	0	0	0	110
395	K	29.2	Very low	30.8	Very low	183 Å²	183	147 Å²	147	80%	0.796	77%	0.774	S	S	*	*			trans	-114.4	157.9	-170.4	-58.6	172.8	-177.2	173	0	110.3
396	L	31	Very low	30.7	Very low	164 Å²	164	146.8 Å²	146.8	86%	0.859	77%	0.773	S	S	*	*			trans	162.5	94.2	150.3	-87.7	151.3	0	0	0	106.7
397	S	26.4	Very low	30.8	Very low	93 Å²	93	145.6 Å²	145.6	65%	0.65	77%	0.765	S	S	*	*				71.7	102.2	64.4	79.7	0	0	0	0	115.6
398	L	30.3	Very low	30.6	Very low	162 Å²	162	141 Å²	141	85%	0.848	75%	0.752	S	S	*	*			trans	176.3	94.4	148.1	-117.8	59.6	0	0	0	106.5
399	S	27.2	Very low	30.4	Very low	92 Å²	92	143.3 Å²	143.3	64%	0.643	75%	0.754	S	S	*	*				62.4	116.3	81.1	75.7	0	0	0	0	115.4
400	T	28.8	Very low	30.5	Very low	153 Å²	153	144.1 Å²	144.1	94%	0.939	76%	0.757	S	S	*	*			trans	-125	105.6	160.3	-50.4	0	0	0	0	108.3
401	T	31.8	Very low	30.2	Very low	105 Å²	105	140.9 Å²	140.9	64%	0.644	75%	0.749	S	S	*	*			trans	-104.8	114.4	-167.7	46.1	0	0	0	0	113.4
402	T	28.5	Very low	30.2	Very low	122 Å²	122	138.5 Å²	138.5	75%	0.748	74%	0.744	S	S	*	*			trans	68.5	156.8	142.1	72.1	0	0	0	0	121.1
403	S	27.6	Very low	30.1	Very low	98 Å²	98	135.4 Å²	135.4	69%	0.685	74%	0.737	S	S	*	*			trans	82.5	137.2	146.2	-59.2	0	0	0	0	119.6
404	T	31.9	Very low	30	Very low	94 Å²	94	136 Å²	136	58%	0.577	74%	0.741	S	S	*	*			cis	-169.3	160.7	-19.5	28.3	0	0	0	0	109.9
405	K	30.5	Very low	29.7	Very low	184 Å²	184	133 Å²	133	80%	0.8	73%	0.729	S	S	*	*			trans	67.3	164.7	155.9	-66.7	144.7	-165.6	159.7	0	113.6
406	K	29.5	Very low	29.6	Very low	186 Å²	186	131.1 Å²	131.1	81%	0.809	73%	0.728	S	S	*	*			cis	-153	155.2	-3.9	-124.5	-172.5	-178.5	-177.3	0	104.3
407	I	31.2	Very low	29.9	Very low	133 Å²	133	130.3 Å²	130.3	68%	0.682	72%	0.724	S	S	*	*			cis	-156.8	-179.2	-1	-155.8	169.9	0	0	0	109.6
408	A	30.9	Very low	30	Very low	72 Å²	72	132.8 Å²	132.8	60%	0.595	73%	0.73	S	S	*	*			trans	-64.7	-167.3	166.9	0	0	0	0	0	113.5
409	R	28.4	Very low	30.1	Very low	213 Å²	213	131.8 Å²	131.8	80%	0.804	73%	0.726	S	S	*	*			cis	-174.3	170	27.7	-158.1	-174	-85.7	154.9	-12.6	110.5
410	I	32.9	Very low	30.1	Very low	134 Å²	134	133.3 Å²	133.3	69%	0.687	73%	0.727	S	S	*	*			trans	103.4	102.4	155.9	-63.3	160.8	0	0	0	113.1
411	L	30.9	Very low	30.3	Very low	144 Å²	144	136.1 Å²	136.1	75%	0.754	72%	0.721	S	S	*	*				60.6	113	89.9	-57.7	168	0	0	0	111.4
412	S	28.5	Very low	30.2	Very low	91 Å²	91	137.8 Å²	137.8	64%	0.636	73%	0.726	S	S	*	*				78.4	113.4	51.7	78.3	0	0	0	0	114.3
413	D	32.1	Very low	30.5	Very low	148 Å²	148	137.9 Å²	137.9	79%	0.791	72%	0.723	S	S	*	*			trans	-167.9	127.2	160.2	-95.9	-21.3	0	0	0	107.6
414	T	28.7	Very low	30.6	Very low	113 Å²	113	140.7 Å²	140.7	69%	0.693	73%	0.73	S	S	*	*				60.1	140.9	101.7	70.8	0	0	0	0	115.6
415	T	27.9	Very low	30.7	Very low	109 Å²	109	142.8 Å²	142.8	67%	0.669	74%	0.736	S	S	*	*			cis	-170.1	155.7	-5.4	17.2	0	0	0	0	109
416	D	27.6	Very low	30.8	Very low	143 Å²	143	140.9 Å²	140.9	77%	0.765	74%	0.735	S	S	*	*			trans	57.3	-166.7	149.6	-52.7	-28.4	0	0	0	120.2
417	D	35.9	Very low	30.8	Very low	147 Å²	147	136.3 Å²	136.3	79%	0.786	73%	0.726	S	S	*	*			trans	61	98.2	-165.2	-64.7	-15.1	0	0	0	115.4
418	N	28.3	Very low	30.6	Very low	146 Å²	146	137.2 Å²	137.2	78%	0.781	73%	0.728	S	S	*	*			cis	75.8	154.5	25.9	-126	-8.7	0	0	0	114.7
419	N	33.6	Very low	30.8	Very low	140 Å²	140	142.1 Å²	142.1	75%	0.749	74%	0.738	S	S	*	*			trans	72.9	109	-160.8	-46.8	-55.7	0	0	0	112.4
420	N	27.8	Very low	30.8	Very low	125 Å²	125	137.1 Å²	137.1	67%	0.668	73%	0.731	S	S	*	*			cis	61.1	109.5	35.2	-167.5	23.1	0	0	0	114.1	N422	N420-N422 PolarHBondContact OD1-N 3.32Å
421	Y	33.1	Very low	30.7	Very low	211 Å²	211	134.9 Å²	134.9	83%	0.827	73%	0.727	S	S	*	*			trans	-146.4	78	156.9	-127.8	-81.3	0	0	0	108.9	D423	Y421-D423 WeakPolarHBondContact CE1-OD2 3.26Å
422	N	28.4	Very low	30.8	Very low	140 Å²	140	135.8 Å²	135.8	75%	0.749	73%	0.728	S	S	*	*			trans	-64.3	145	148.6	-94.2	-16.3	0	0	0	108.2	N420	N420-N422 PolarHBondContact OD1-N 3.32Å
423	D	36.1	Very low	31	Very low	125 Å²	125	138 Å²	138	67%	0.668	73%	0.732	S	S	*	*			trans	-147.1	119.6	147.3	-112.1	-29.8	0	0	0	111.1	Y421	Y421-D423 WeakPolarHBondContact CE1-OD2 3.26Å
424	N	28.8	Very low	31	Very low	157 Å²	157	136.7 Å²	136.7	84%	0.84	73%	0.729	S	S	*	*			trans	-95.1	118.9	171.9	-98.3	-20.2	0	0	0	107.9
425	I	34.4	Very low	31.3	Very low	138 Å²	138	135.1 Å²	135.1	71%	0.708	72%	0.723	S	S	*	*			trans	-135.6	104.3	165	-58.2	-175	0	0	0	109.3
426	N	32.3	Very low	31.8	Very low	143 Å²	143	139.1 Å²	139.1	77%	0.765	73%	0.731	S	S	*	*				31.1	150.2	116.9	-49.5	-16.2	0	0	0	118.4
427	S	28.2	Very low	32.2	Very low	91 Å²	91	137.2 Å²	137.2	64%	0.636	73%	0.728	S	S	*	*			cis	-166.1	-166.7	-20	-161.8	0	0	0	0	106.4
428	E	27.7	Very low	32.2	Very low	152 Å²	152	138 Å²	138	71%	0.71	73%	0.727	S	S	*	*			trans	-31.1	133.4	166.1	-56.6	130.2	133	0	0	116.4
429	H	35.4	Very low	32.5	Very low	175 Å²	175	141.2 Å²	141.2	81%	0.81	73%	0.728	S	S	*	*				-173.5	122.6	108.7	-91.8	-52.8	0	0	0	109.6
430	T	28.3	Very low	32.7	Very low	107 Å²	107	139.6 Å²	139.6	66%	0.656	72%	0.724	S	S	*	*				96	83.7	64.5	-61.6	0	0	0	0	113.5
431	S	30.9	Very low	33	Very low	87 Å²	87	142 Å²	142	61%	0.608	73%	0.725	S	S	*	*			trans	79.7	166.9	133.4	75.5	0	0	0	0	122.2
432	Q	33.5	Very low	33.2	Very low	164 Å²	164	140.2 Å²	140.2	77%	0.766	73%	0.726	S	S	*	*			trans	76.7	143.9	164.1	-28.4	-158.8	19.8	0	0	116.8
433	L	32.2	Very low	33.6	Very low	137 Å²	137	138.1 Å²	138.1	72%	0.717	72%	0.715	S	S	*	*			cis	-134.5	150	-3.7	-95.8	109.9	0	0	0	112.3
434	T	31.4	Very low	33.5	Very low	121 Å²	121	139.7 Å²	139.7	74%	0.742	72%	0.723	S	S	*	*			trans	2.8	159	137.6	81.3	0	0	0	0	120.2
435	S	35.5	Very low	33.6	Very low	79 Å²	79	139.8 Å²	139.8	55%	0.552	72%	0.722	S	S	*	*			cis	-173	159	27.5	80.3	0	0	0	0	114.4
436	K	38.9	Very low	33.5	Very low	194 Å²	194	138.5 Å²	138.5	84%	0.843	73%	0.725	S	S	*	*			trans	64.5	151.5	144	-67.9	164.9	-169.6	168.5	0	119.1
437	S	35.1	Very low	33.7	Very low	102 Å²	102	141 Å²	141	71%	0.713	73%	0.732	S	S	*	*			cis	-171.2	175.4	-14	50	0	0	0	0	111.8
438	H	35.8	Very low	34.1	Very low	165 Å²	165	142.1 Å²	142.1	76%	0.764	74%	0.74	S	S	*	*			trans	77.2	125.2	176.6	-97.2	-106	0	0	0	116.6
439	R	35.1	Very low	34.3	Very low	212 Å²	212	137.8 Å²	137.8	80%	0.8	74%	0.736	S	S	*	*			cis	76	129.2	33.7	-66.3	-166.4	157.1	172.3	-7.3	114.1
440	T	38.2	Very low	34.3	Very low	107 Å²	107	135.7 Å²	135.7	66%	0.656	74%	0.738	S	S	*	*			cis	-163.7	162.3	8.6	4.1	0	0	0	0	113.7
441	Y	33.3	Very low	34.8	Very low	175 Å²	175	136.9 Å²	136.9	69%	0.686	74%	0.739	S	S	*	*			trans	59.6	105.8	151.6	-95.3	-84	0	0	0	121.5	D443	Y441-D443 VanDerWaalsContact CD1-OD2 3.24Å; Y441-D443 WeakPolarHBondContact CD1-OD2 3.25Å; Y441-D443 WeakPolarHBondContact CE1-OD1 3.29Å; Y441-D443 WeakPolarHBondContact CE1-OD2 3.28Å
442	M	38.2	Very low	34.8	Very low	174 Å²	174	140.8 Å²	140.8	86%	0.857	75%	0.752	S	S	*	*				-162.3	137	117	-96.1	-78	104.3	0	0	106.5
443	D	36.9	Very low	35.2	Very low	96 Å²	96	138.6 Å²	138.6	51%	0.513	75%	0.745	S	S	.	*			trans	-100.9	160.7	-153.8	-50.2	-71.3	0	0	0	115.5	Y441	Y441-D443 VanDerWaalsContact CD1-OD2 3.24Å; Y441-D443 WeakPolarHBondContact CD1-OD2 3.25Å; Y441-D443 WeakPolarHBondContact CE1-OD1 3.29Å; Y441-D443 WeakPolarHBondContact CE1-OD2 3.28Å
444	D	33.7	Very low	35.7	Very low	158 Å²	158	137.3 Å²	137.3	85%	0.845	74%	0.739	S	S	*	*			trans	58.6	133.5	163.2	-60.7	-26.8	0	0	0	118.5
445	I	30.5	Very low	36.4	Very low	159 Å²	159	137.2 Å²	137.2	82%	0.815	73%	0.734	S	S	*	*			cis	-137.8	116.5	15.6	-58	166.7	0	0	0	108.8
446	S	32.1	Very low	36.8	Very low	111 Å²	111	143.7 Å²	143.7	78%	0.776	75%	0.746	S	S	*	*			trans	-169.3	118.8	169.8	-87.2	0	0	0	0	115.8
447	Q	36.9	Very low	37.4	Very low	195 Å²	195	139.1 Å²	139.1	91%	0.911	73%	0.731	S	S	*	*			trans	177.9	147.6	152.8	-102.1	148.4	95	0	0	107.8
448	S	36.5	Very low	38.2	Very low	115 Å²	115	137.9 Å²	137.9	80%	0.804	72%	0.716	S	S	*	*			cis	-169.8	150.5	-16.6	44.4	0	0	0	0	105.6
449	G	32.6	Very low	39.4	Very low	60 Å²	60	133.2 Å²	133.2	62%	0.619	70%	0.699	S	S	*	*			cis	146.8	122.3	12.3	0	0	0	0	0	106.3	I451	G449-I451 PolarHBondContact O-N 3.48Å
450	P	34.9	Very low	40.9	Very low	132 Å²	132	126.6 Å²	126.6	86%	0.857	68%	0.682	S	S	*	*			trans	-75.7	99.7	-164.6	28.2	-34.5	0	0	0	113.3
451	I	38.2	Very low	42.1	Very low	132 Å²	132	127.4 Å²	127.4	68%	0.677	68%	0.678	S	S	*	*			trans	25.8	109.1	147.9	-45.3	178.1	0	0	0	116.4	G449 L453	G449-I451 PolarHBondContact O-N 3.48Å; I451-L453 HydrophobicContact CG2-CB 4.49Å; I451-L453 HydrophobicContact CG2-CD1 3.85Å; I451-L453 HydrophobicContact CG2-CG 3.78Å; I451-L453 PolarHBondContact O-N 3.23Å; I451-L453 VanDerWaalsContact O-N 3.09Å
452	L	31.8	Very low	43.7	Very low	169 Å²	169	123 Å²	123	89%	0.885	67%	0.67	S	S	*	*			trans	-70.7	99.4	165.6	-64.3	178.3	0	0	0	110.7
453	L	41.6	Very low	44.9	Very low	117 Å²	117	122.8 Å²	122.8	61%	0.613	66%	0.66	S	S	*	*			trans	-113.8	89.6	176.4	-98	166.8	0	0	0	111.2	I451 I458	I451-L453 HydrophobicContact CG2-CB 4.49Å; I451-L453 HydrophobicContact CG2-CD1 3.85Å; I451-L453 HydrophobicContact CG2-CG 3.78Å; I451-L453 PolarHBondContact O-N 3.23Å; I451-L453 VanDerWaalsContact O-N 3.09Å; L453-I458 WeakPolarHBondContact O-CD1 3.35Å; L453-I458 WeakPolarHBondContact O-CG1 3.39Å
454	N	42.9	Very low	46.3	Very low	110 Å²	110	124.5 Å²	124.5	59%	0.588	66%	0.662	S	S	*	*			trans	43.8	96.8	172.7	-74.6	-9.3	0	0	0	115.7	R456 N457 I458	N454-R456 PolarHBondContact O-N 2.96Å; N454-N457 HydrophobicContact CB-CB 4.17Å; N454-N457 WeakPolarHBondContact O-CA 3.3Å; N454-N457 PolarHBondContact O-N 3.42Å; N454-I458 PolarHBondContact O-N 3.45Å; N454-I458 VanDerWaalsContact O-N 3.11Å
455	D	45.1	Very low	48	Very low	119 Å²	119	120.5 Å²	120.5	64%	0.636	64%	0.64	S	S	*	*	H	α-helix	trans	-52	-29.7	175	-69.4	-58.6	0	0	0	114.1	N457 T459	D455-N457 VanDerWaalsContact C-N 3.33Å; D455-N457 PolarHBondContact O-N 3.46Å; D455-T459 VanDerWaalsContact O-CB 3.3Å; D455-T459 WeakPolarHBondContact O-CB 3.42Å; D455-T459 VanDerWaalsContact O-CG2 3.27Å; D455-T459 WeakPolarHBondContact O-CG2 3.49Å; D455-T459 PolarHBondContact O-N 2.84Å; D455-T459 PolarHBondContact O-OG1 3.03Å
456	R	45.5	Very low	49.7	Very low	216 Å²	216	116.9 Å²	116.9	82%	0.815	63%	0.634	S	S	*	*	H	α-helix	trans	-68.5	-26.8	174.8	-70.6	-175.3	175.4	179.8	-0.7	113.9	N454 V460	N454-R456 PolarHBondContact O-N 2.96Å; R456-V460 VanDerWaalsContact O-CG2 3.24Å; R456-V460 WeakPolarHBondContact O-CG2 3.49Å
457	N	50.7	Low	50.9	Low	98 Å²	98	116.8 Å²	116.8	52%	0.524	63%	0.632	S	S	.	*	H	α-helix	trans	-85.1	-45.7	173.8	-71.7	-0.3	0	0	0	110.4	N454 D455 T459 V460 E461	N454-N457 HydrophobicContact CB-CB 4.17Å; N454-N457 WeakPolarHBondContact O-CA 3.3Å; N454-N457 PolarHBondContact O-N 3.42Å; D455-N457 VanDerWaalsContact C-N 3.33Å; D455-N457 PolarHBondContact O-N 3.46Å; N457-T459 PolarHBondContact O-N 3.38Å; N457-V460 PolarHBondContact O-N 2.92Å; N457-E461 PolarHBondContact O-N 3.4Å
458	I	52.7	Low	51.8	Low	75 Å²	75	110.2 Å²	110.2	39%	0.385	60%	0.603	S	S	.	*	H	α-helix	trans	-56.7	-48.5	175.9	-64.5	170.8	0	0	0	110.3	L453 N454 V460 E461 T462	L453-I458 WeakPolarHBondContact O-CD1 3.35Å; L453-I458 WeakPolarHBondContact O-CG1 3.39Å; N454-I458 PolarHBondContact O-N 3.45Å; N454-I458 VanDerWaalsContact O-N 3.11Å; I458-V460 PolarHBondContact O-N 2.98Å; I458-V460 VanDerWaalsContact O-N 3.09Å; I458-E461 PolarHBondContact O-N 3.08Å; I458-T462 WeakPolarHBondContact O-CB 3.47Å; I458-T462 PolarHBondContact O-N 2.69Å; I458-T462 PolarHBondContact O-OG1 3.1Å
459	T	60.9	Low	52.3	Low	68 Å²	68	110.4 Å²	110.4	42%	0.417	60%	0.602	S	S	.	*	H	α-helix	trans	-69.1	-6.1	177.7	57.6	0	0	0	0	115.3	D455 N457 R463	D455-T459 VanDerWaalsContact O-CB 3.3Å; D455-T459 WeakPolarHBondContact O-CB 3.42Å; D455-T459 VanDerWaalsContact O-CG2 3.27Å; D455-T459 WeakPolarHBondContact O-CG2 3.49Å; D455-T459 PolarHBondContact O-N 2.84Å; D455-T459 PolarHBondContact O-OG1 3.03Å; N457-T459 PolarHBondContact O-N 3.38Å; T459-R463 VanDerWaalsContact O-CB 3.23Å; T459-R463 WeakPolarHBondContact O-CB 3.44Å; T459-R463 PolarHBondContact O-NE 3.07Å; T459-R463 VanDerWaalsContact O-NE 3.12Å; T459-R463 PolarHBondContact O-NH2 3.14Å
460	V	66.5	Low	53.7	Low	73 Å²	73	112.7 Å²	112.7	44%	0.442	62%	0.615	S	S	.	*	H	α-helix	trans	-97.2	-42.7	169.7	168.4	0	0	0	0	110.9	R456 N457 I458 R463 K464	R456-V460 VanDerWaalsContact O-CG2 3.24Å; R456-V460 WeakPolarHBondContact O-CG2 3.49Å; N457-V460 PolarHBondContact O-N 2.92Å; I458-V460 PolarHBondContact O-N 2.98Å; I458-V460 VanDerWaalsContact O-N 3.09Å; V460-R463 PolarHBondContact O-N 2.82Å; V460-K464 PolarHBondContact O-N 3.27Å
461	E	63.2	Low	55	Low	123 Å²	123	108.1 Å²	108.1	58%	0.575	59%	0.591	S	S	*	*	H	α-helix	trans	-69.7	-48.2	175.7	-68.3	-156	126.5	0	0	112.2	N457 I458 R463 K464 L465	N457-E461 PolarHBondContact O-N 3.4Å; I458-E461 PolarHBondContact O-N 3.08Å; E461-R463 PolarHBondContact O-N 3.47Å; E461-R463 VanDerWaalsContact O-N 3.15Å; E461-K464 WeakPolarHBondContact O-CA 3.26Å; E461-K464 WeakPolarHBondContact O-CB 3.39Å; E461-K464 PolarHBondContact O-N 3.06Å; E461-L465 WeakPolarHBondContact O-CG 3.48Å; E461-L465 PolarHBondContact O-N 3.32Å
462	T	66.9	Low	56.2	Low	84 Å²	84	109 Å²	109	52%	0.515	59%	0.592	S	S	.	*	H	α-helix	trans	-57.1	-33	173.3	-51.4	0	0	0	0	111.3	I458 A466	I458-T462 WeakPolarHBondContact O-CB 3.47Å; I458-T462 PolarHBondContact O-N 2.69Å; I458-T462 PolarHBondContact O-OG1 3.1Å; T462-A466 WeakPolarHBondContact O-CB 3.48Å; T462-A466 PolarHBondContact O-N 3.3Å
463	R	63.4	Low	57.7	Low	169 Å²	169	106.5 Å²	106.5	64%	0.638	58%	0.577	S	S	*	*	H	α-helix	trans	-75.4	-32.8	176	-164	-173.3	-46.2	-164.6	2	113.2	T459 V460 E461 C467	T459-R463 VanDerWaalsContact O-CB 3.23Å; T459-R463 WeakPolarHBondContact O-CB 3.44Å; T459-R463 PolarHBondContact O-NE 3.07Å; T459-R463 VanDerWaalsContact O-NE 3.12Å; T459-R463 PolarHBondContact O-NH2 3.14Å; V460-R463 PolarHBondContact O-N 2.82Å; E461-R463 PolarHBondContact O-N 3.47Å; E461-R463 VanDerWaalsContact O-N 3.15Å; R463-C467 PolarHBondContact O-SG 3.44Å; R463-C467 VanDerWaalsContact O-SG 3.4Å
464	K	65.9	Low	58.4	Low	132 Å²	132	106.9 Å²	106.9	57%	0.574	57%	0.57	S	S	*	*	H	α-helix	trans	-64.5	-50.6	167.4	-77.5	177.1	175.9	177.1	0	110.8	V460 E461 A466 C467	V460-K464 PolarHBondContact O-N 3.27Å; E461-K464 WeakPolarHBondContact O-CA 3.26Å; E461-K464 WeakPolarHBondContact O-CB 3.39Å; E461-K464 PolarHBondContact O-N 3.06Å; K464-A466 PolarHBondContact O-N 3.22Å; K464-C467 WeakPolarHBondContact O-CB 3.42Å; K464-C467 PolarHBondContact O-N 3.16Å; K464-C467 VanDerWaalsContact O-N 3.15Å
465	L	68.8	Low	59.6	Low	73 Å²	73	106 Å²	106	38%	0.382	57%	0.565	S	S	.	*	H	α-helix	trans	-67.2	-35.7	-175.7	-62.2	179.7	0	0	0	112	E461 C467 L468	E461-L465 WeakPolarHBondContact O-CG 3.48Å; E461-L465 PolarHBondContact O-N 3.32Å; L465-C467 PolarHBondContact O-N 3.48Å; L465-C467 VanDerWaalsContact O-N 3.17Å; L465-L468 HydrophobicContact CD2-CD1 3.92Å; L465-L468 WeakPolarHBondContact O-CB 3.4Å; L465-L468 PolarHBondContact O-N 2.94Å
466	A	66.6	Low	60.9	Low	83 Å²	83	108.8 Å²	108.8	69%	0.686	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.8	-18.3	174.1	0	0	0	0	0	114.2	T462 K464 L468	T462-A466 WeakPolarHBondContact O-CB 3.48Å; T462-A466 PolarHBondContact O-N 3.3Å; K464-A466 PolarHBondContact O-N 3.22Å; A466-L468 VanDerWaalsContact C-N 3.31Å
467	C	57.2	Low	62.4	Low	109 Å²	109	102.9 Å²	102.9	74%	0.736	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.5	-2.1	172.4	-66.5	0	0	0	0	113.5	R463 K464 L465	R463-C467 PolarHBondContact O-SG 3.44Å; R463-C467 VanDerWaalsContact O-SG 3.4Å; K464-C467 WeakPolarHBondContact O-CB 3.42Å; K464-C467 PolarHBondContact O-N 3.16Å; K464-C467 VanDerWaalsContact O-N 3.15Å; L465-C467 PolarHBondContact O-N 3.48Å; L465-C467 VanDerWaalsContact O-N 3.17Å
468	L	56.2	Low	63.3	Low	58 Å²	58	100.9 Å²	100.9	30%	0.304	56%	0.555	S	S	.	*	S	Bend	trans	-107.5	138.4	-176.2	-57.6	173.4	0	0	0	111.2	L465 A466 A470 G471 E473	L465-L468 HydrophobicContact CD2-CD1 3.92Å; L465-L468 WeakPolarHBondContact O-CB 3.4Å; L465-L468 PolarHBondContact O-N 2.94Å; A466-L468 VanDerWaalsContact C-N 3.31Å; L468-A470 PolarHBondContact O-N 3.08Å; L468-G471 PolarHBondContact O-N 3.44Å; L468-E473 HydrophobicContact CD1-CB 4.45Å; L468-E473 HydrophobicContact CD1-CG 3.78Å
469	P	47.7	Very low	64.1	Low	119 Å²	119	102.8 Å²	102.8	77%	0.773	57%	0.572	S	S	*	*	G	3₁₀ helix	trans	-55.2	127.2	171.5	-24.4	34.6	0	0	0	111.1	G471	P469-G471 PolarHBondContact O-N 2.92Å; P469-G471 VanDerWaalsContact O-N 3.14Å
470	A	60.6	Low	64.3	Low	108 Å²	108	106.9 Å²	106.9	89%	0.893	58%	0.58	S	S	*	*	G	3₁₀ helix	trans	57.7	15.5	-175	0	0	0	0	0	116.1	L468 Q472	L468-A470 PolarHBondContact O-N 3.08Å; A470-Q472 VanDerWaalsContact C-N 3.28Å; A470-Q472 PolarHBondContact O-N 3.29Å
471	G	62.4	Low	64.2	Low	35 Å²	35	107.7 Å²	107.7	36%	0.361	59%	0.587	S	S	.	*	G	3₁₀ helix	trans	73.1	11.9	174.7	0	0	0	0	0	115.6	L468 P469	L468-G471 PolarHBondContact O-N 3.44Å; P469-G471 PolarHBondContact O-N 2.92Å; P469-G471 VanDerWaalsContact O-N 3.14Å
472	Q	62.6	Low	63.8	Low	150 Å²	150	107.7 Å²	107.7	70%	0.701	59%	0.589	S	S	*	*			trans	-115.7	137.5	-175.9	-170.1	174.9	1	0	0	111.2	A470 R474	A470-Q472 VanDerWaalsContact C-N 3.28Å; A470-Q472 PolarHBondContact O-N 3.29Å; Q472-R474 PolarHBondContact O-N 3.41Å
473	E	65	Low	63.3	Low	118 Å²	118	109.5 Å²	109.5	55%	0.551	59%	0.592	S	S	*	*	P	Polyproline II helix	trans	-62.6	131.3	169.2	-83.7	-157.9	-169.6	0	0	110.5	L468 D475 K476	L468-E473 HydrophobicContact CD1-CB 4.45Å; L468-E473 HydrophobicContact CD1-CG 3.78Å; E473-D475 PolarHBondContact O-N 3.44Å; E473-K476 IonicContact OE2-NZ 3.65Å
474	R	56.5	Low	63	Low	125 Å²	125	112 Å²	112	47%	0.472	60%	0.601	S	S	.	*	P	Polyproline II helix	trans	-62.9	123.9	176	-172.8	-161.1	-179.7	70	35	109.6	Q472 K476 T478 P479	Q472-R474 PolarHBondContact O-N 3.41Å; R474-K476 PolarHBondContact O-N 3.25Å; R474-K476 VanDerWaalsContact O-N 3.14Å; R474-T478 PolarHBondContact NE-O 3.12Å; R474-T478 VanDerWaalsContact NE-O 3.13Å; R474-T478 PolarHBondContact NH2-O 3.27Å; R474-T478 PolarHBondContact NH2-OG1 2.93Å; R474-P479 PolarHBondContact NH2-O 2.91Å; R474-P479 VanDerWaalsContact NH2-O 3.14Å
475	D	67.2	Low	62.6	Low	91 Å²	91	110.8 Å²	110.8	49%	0.487	59%	0.594	S	S	.	*	P	Polyproline II helix	trans	-57	121.1	170.7	178.1	14.1	0	0	0	110.8	E473 S477 T478	E473-D475 PolarHBondContact O-N 3.44Å; D475-S477 VanDerWaalsContact CG-OG 3.29Å; D475-S477 PolarHBondContact O-N 2.97Å; D475-S477 WeakPolarHBondContact OD1-CB 3.37Å; D475-S477 PolarHBondContact OD1-N 2.98Å; D475-S477 PolarHBondContact OD1-OG 2.69Å; D475-S477 WeakPolarHBondContact OD2-CB 3.49Å; D475-S477 PolarHBondContact OD2-OG 2.78Å; D475-T478 HydrophobicContact CB-CG2 4.25Å; D475-T478 PolarHBondContact O-N 2.87Å; D475-T478 PolarHBondContact O-OG1 3.32Å
476	K	71.9	Confident	62.1	Low	178 Å²	178	109.1 Å²	109.1	77%	0.774	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.7	-18.4	-178.8	-66.1	158.1	-171.5	153.6	0	112	E473 R474 T478	E473-K476 IonicContact OE2-NZ 3.65Å; R474-K476 PolarHBondContact O-N 3.25Å; R474-K476 VanDerWaalsContact O-N 3.14Å; K476-T478 VanDerWaalsContact C-N 3.29Å
477	S	76.8	Confident	61.2	Low	91 Å²	91	113.6 Å²	113.6	64%	0.636	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.6	-30.2	169.2	93.6	0	0	0	0	112.2	D475 P479	D475-S477 VanDerWaalsContact CG-OG 3.29Å; D475-S477 PolarHBondContact O-N 2.97Å; D475-S477 WeakPolarHBondContact OD1-CB 3.37Å; D475-S477 PolarHBondContact OD1-N 2.98Å; D475-S477 PolarHBondContact OD1-OG 2.69Å; D475-S477 WeakPolarHBondContact OD2-CB 3.49Å; D475-S477 PolarHBondContact OD2-OG 2.78Å; S477-P479 WeakPolarHBondContact O-CD 3.49Å
478	T	70.1	Confident	61.3	Low	56 Å²	56	112.9 Å²	112.9	34%	0.344	58%	0.578	S	S	.	*	S	Bend	trans	-89.1	114.1	-176.5	71.3	0	0	0	0	111.1	R474 D475 K476 R480	R474-T478 PolarHBondContact NE-O 3.12Å; R474-T478 VanDerWaalsContact NE-O 3.13Å; R474-T478 PolarHBondContact NH2-O 3.27Å; R474-T478 PolarHBondContact NH2-OG1 2.93Å; D475-T478 HydrophobicContact CB-CG2 4.25Å; D475-T478 PolarHBondContact O-N 2.87Å; D475-T478 PolarHBondContact O-OG1 3.32Å; K476-T478 VanDerWaalsContact C-N 3.29Å; T478-R480 PolarHBondContact O-N 3.09Å
479	P	69.4	Low	61.3	Low	116 Å²	116	111.1 Å²	111.1	75%	0.753	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-59.1	141.9	173.8	25.7	-33.6	0	0	0	109.7	R474 S477	R474-P479 PolarHBondContact NH2-O 2.91Å; R474-P479 VanDerWaalsContact NH2-O 3.14Å; S477-P479 WeakPolarHBondContact O-CD 3.49Å
480	R	66	Low	61.8	Low	154 Å²	154	108 Å²	108	58%	0.581	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-61.7	141.1	177.9	70.2	179.1	-174.5	-97.2	5.4	110.4	T478 I482 D486	T478-R480 PolarHBondContact O-N 3.09Å; R480-I482 PolarHBondContact O-N 2.63Å; R480-D486 IonicContact CZ-OD1 2.67Å; R480-D486 VanDerWaalsContact CZ-OD1 3.32Å; R480-D486 IonicContact CZ-OD2 3.36Å; R480-D486 VanDerWaalsContact NE-CG 3.28Å; R480-D486 IonicContact NE-OD1 3.32Å; R480-D486 PolarHBondContact NE-OD1 3.42Å; R480-D486 VanDerWaalsContact NE-OD1 3.13Å; R480-D486 IonicContact NE-OD2 2.72Å; R480-D486 PolarHBondContact NE-OD2 3.37Å; R480-D486 IonicContact NH2-OD1 3.53Å; R480-D486 PolarHBondContact NH2-OD1 2.88Å; R480-D486 IonicContact NH2-OD2 3.91Å
481	P	64	Low	61.8	Low	90 Å²	90	106.7 Å²	106.7	58%	0.584	53%	0.534	S	S	*	.	P	Polyproline II helix	trans	-52	133.8	165.7	-22.4	32.7	0	0	0	108.5	E483	P481-E483 PolarHBondContact O-N 2.88Å
482	I	55	Low	61.6	Low	123 Å²	123	105.6 Å²	105.6	63%	0.631	52%	0.522	S	S	*	.			trans	-67.4	99.3	178.4	-60.2	174.8	0	0	0	107	R480 D486	R480-I482 PolarHBondContact O-N 2.63Å; I482-D486 HydrophobicContact CB-CB 4.4Å; I482-D486 HydrophobicContact CG2-CB 3.7Å
483	E	57	Low	61.7	Low	121 Å²	121	101.4 Å²	101.4	57%	0.565	51%	0.509	S	S	*	.			trans	-63.8	165.5	175.5	-74.9	-162.4	-166.7	0	0	111	P481 Y485 D486	P481-E483 PolarHBondContact O-N 2.88Å; E483-Y485 PolarHBondContact O-N 3.03Å; E483-D486 PolarHBondContact N-OD2 3.48Å; E483-D486 PolarHBondContact O-N 2.98Å
484	R	55.4	Low	61.8	Low	222 Å²	222	97.8 Å²	97.8	84%	0.838	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-18.1	173.7	-160.6	175.7	-171.8	-122.2	4.3	113
485	Y	57.9	Low	62.4	Low	106 Å²	106	95.7 Å²	95.7	42%	0.416	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-15.3	175.5	-53.1	-66.1	0	0	0	114.4	E483	E483-Y485 PolarHBondContact O-N 3.03Å
486	D	58.4	Low	62.5	Low	39 Å²	39	94.2 Å²	94.2	21%	0.209	50%	0.499	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-12.2	178.9	-77.7	-34.6	0	0	0	113.5	R480 I482 E483	R480-D486 IonicContact CZ-OD1 2.67Å; R480-D486 VanDerWaalsContact CZ-OD1 3.32Å; R480-D486 IonicContact CZ-OD2 3.36Å; R480-D486 VanDerWaalsContact NE-CG 3.28Å; R480-D486 IonicContact NE-OD1 3.32Å; R480-D486 PolarHBondContact NE-OD1 3.42Å; R480-D486 VanDerWaalsContact NE-OD1 3.13Å; R480-D486 IonicContact NE-OD2 2.72Å; R480-D486 PolarHBondContact NE-OD2 3.37Å; R480-D486 IonicContact NH2-OD1 3.53Å; R480-D486 PolarHBondContact NH2-OD1 2.88Å; R480-D486 IonicContact NH2-OD2 3.91Å; I482-D486 HydrophobicContact CB-CB 4.4Å; I482-D486 HydrophobicContact CG2-CB 3.7Å; E483-D486 PolarHBondContact N-OD2 3.48Å; E483-D486 PolarHBondContact O-N 2.98Å
487	W	48.4	Very low	62.5	Low	177 Å²	177	89.1 Å²	89.1	67%	0.67	48%	0.48	S	S	*	.	S	Bend	trans	-57.9	127.5	169.4	-86.2	78.5	0	0	0	109.6	A489	W487-A489 PolarHBondContact O-N 3.25Å
488	P	58.1	Low	62	Low	93 Å²	93	86.1 Å²	86.1	60%	0.604	46%	0.46	S	S	*	.	P	Polyproline II helix	trans	-59.4	129.9	179.3	24.6	-33.2	0	0	0	109.3
489	A	56	Low	62.2	Low	21 Å²	21	87.9 Å²	87.9	17%	0.174	46%	0.464	C	S	.	.	P	Polyproline II helix	trans	-58.2	133.4	174.1	0	0	0	0	0	108.6	W487 Y596 A602	W487-A489 PolarHBondContact O-N 3.25Å; A489-Y596 HydrophobicContact CB-CD1 3.67Å; A489-Y596 HydrophobicContact CB-CE1 3.74Å; A489-A602 HydrophobicContact CB-CB 4.27Å
490	P	59.7	Low	62.6	Low	54 Å²	54	86.4 Å²	86.4	35%	0.351	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-59.4	140.6	168.7	27.8	-33.5	0	0	0	108.1	A492 Y596	P490-A492 PolarHBondContact O-N 2.93Å; P490-Y596 HydrophobicContact CG-CG 4.44Å
491	P	61.1	Low	62.8	Low	80 Å²	80	80.5 Å²	80.5	52%	0.519	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-53.2	134.8	177.1	20.4	-32	0	0	0	110.1	V495 V496	P491-V495 HydrophobicContact CB-CB 4.34Å; P491-V495 HydrophobicContact CB-CG1 4.16Å; P491-V496 HydrophobicContact CB-CG2 3.84Å; P491-V496 HydrophobicContact CG-CG2 3.65Å; P491-V496 WeakPolarHBondContact O-CG2 3.42Å
492	A	57.9	Low	63.4	Low	13 Å²	13	82.2 Å²	82.2	11%	0.107	42%	0.424	C	S	.	.	P	Polyproline II helix	trans	-58	153.2	-177.8	0	0	0	0	0	110.8	P490 G494 V495 V496	P490-A492 PolarHBondContact O-N 2.93Å; A492-G494 VanDerWaalsContact C-N 3.25Å; A492-G494 PolarHBondContact O-N 3.31Å; A492-G494 VanDerWaalsContact O-N 3.16Å; A492-V495 HydrophobicContact CB-CG2 4.29Å; A492-V495 WeakPolarHBondContact O-CA 3.28Å; A492-V495 WeakPolarHBondContact O-CB 3.34Å; A492-V495 PolarHBondContact O-N 3.12Å; A492-V496 PolarHBondContact O-N 2.88Å
493	S	64.8	Low	64.5	Low	61 Å²	61	80.1 Å²	80.1	43%	0.427	41%	0.411	S	S	.	.	H	α-helix	trans	-52.7	-41.4	-175.5	46.4	0	0	0	0	113.2	V496 L497	S493-V496 PolarHBondContact O-N 3.44Å; S493-L497 WeakPolarHBondContact O-CB 3.47Å; S493-L497 PolarHBondContact O-N 3.39Å
494	G	67.1	Low	65.4	Low	42 Å²	42	80.1 Å²	80.1	43%	0.433	41%	0.406	S	S	.	.	H	α-helix	trans	-64.1	-38.1	174.5	0	0	0	0	0	113.9	A492 L497 A498	A492-G494 VanDerWaalsContact C-N 3.25Å; A492-G494 PolarHBondContact O-N 3.31Å; A492-G494 VanDerWaalsContact O-N 3.16Å; G494-L497 PolarHBondContact O-N 3.12Å; G494-A498 WeakPolarHBondContact O-CB 3.25Å; G494-A498 PolarHBondContact O-N 2.98Å
495	V	68.5	Low	66.2	Low	81 Å²	81	71.5 Å²	71.5	49%	0.491	37%	0.374	S	S	.	.	H	α-helix	trans	-67.3	-44	176.1	-179.7	0	0	0	0	110.6	P491 A492 L497 A498 E499	P491-V495 HydrophobicContact CB-CB 4.34Å; P491-V495 HydrophobicContact CB-CG1 4.16Å; A492-V495 HydrophobicContact CB-CG2 4.29Å; A492-V495 WeakPolarHBondContact O-CA 3.28Å; A492-V495 WeakPolarHBondContact O-CB 3.34Å; A492-V495 PolarHBondContact O-N 3.12Å; V495-L497 VanDerWaalsContact C-N 3.32Å; V495-L497 PolarHBondContact O-N 3.06Å; V495-A498 PolarHBondContact O-N 3.37Å; V495-E499 WeakPolarHBondContact O-CB 3.49Å; V495-E499 PolarHBondContact O-N 3.05Å
496	V	69.9	Low	67.3	Low	61 Å²	61	71.6 Å²	71.6	37%	0.37	38%	0.378	S	S	.	.	H	α-helix	trans	-62.9	-39.7	175.1	178.2	0	0	0	0	111.4	P491 A492 S493 L500	P491-V496 HydrophobicContact CB-CG2 3.84Å; P491-V496 HydrophobicContact CG-CG2 3.65Å; P491-V496 WeakPolarHBondContact O-CG2 3.42Å; A492-V496 PolarHBondContact O-N 2.88Å; S493-V496 PolarHBondContact O-N 3.44Å; V496-L500 VanDerWaalsContact O-CB 3.24Å; V496-L500 WeakPolarHBondContact O-CB 3.37Å; V496-L500 PolarHBondContact O-N 3.23Å
497	L	71.5	Confident	68.2	Low	71 Å²	71	76.6 Å²	76.6	37%	0.372	39%	0.394	S	S	.	.	H	α-helix	trans	-66.5	-46.7	177.4	-176.9	60.8	0	0	0	111.6	S493 G494 V495 E499 L500 M501	S493-L497 WeakPolarHBondContact O-CB 3.47Å; S493-L497 PolarHBondContact O-N 3.39Å; G494-L497 PolarHBondContact O-N 3.12Å; V495-L497 VanDerWaalsContact C-N 3.32Å; V495-L497 PolarHBondContact O-N 3.06Å; L497-E499 VanDerWaalsContact C-N 3.34Å; L497-E499 PolarHBondContact O-N 2.92Å; L497-L500 PolarHBondContact O-N 3.5Å; L497-M501 HydrophobicContact CD1-CE 4.12Å; L497-M501 HydrophobicContact CD1-CG 4.46Å; L497-M501 HydrophobicContact CD1-SD 4.42Å; L497-M501 HydrophobicContact CG-CE 4.2Å; L497-M501 HydrophobicContact CG-SD 4.14Å; L497-M501 WeakPolarHBondContact O-CB 3.02Å; L497-M501 VanDerWaalsContact O-CG 3.27Å; L497-M501 WeakPolarHBondContact O-CG 3.46Å; L497-M501 PolarHBondContact O-N 2.85Å
498	A	67	Low	69.3	Low	27 Å²	27	71.3 Å²	71.3	22%	0.223	37%	0.374	C	S	.	.	H	α-helix	trans	-61.1	-40.8	177	0	0	0	0	0	112.1	G494 V495 M501 R502 L532	G494-A498 WeakPolarHBondContact O-CB 3.25Å; G494-A498 PolarHBondContact O-N 2.98Å; V495-A498 PolarHBondContact O-N 3.37Å; A498-M501 PolarHBondContact O-N 3.04Å; A498-R502 WeakPolarHBondContact O-CB 3.3Å; A498-R502 PolarHBondContact O-N 3.25Å; A498-L532 HydrophobicContact CB-CD2 4.47Å
499	E	74	Confident	70.2	Confident	93 Å²	93	74.9 Å²	74.9	44%	0.435	38%	0.375	S	S	.	.	H	α-helix	trans	-65.4	-47.8	175.2	-161	62.6	-107.5	0	0	111.7	V495 L497 M501 R502 E503	V495-E499 WeakPolarHBondContact O-CB 3.49Å; V495-E499 PolarHBondContact O-N 3.05Å; L497-E499 VanDerWaalsContact C-N 3.34Å; L497-E499 PolarHBondContact O-N 2.92Å; E499-M501 PolarHBondContact O-N 3.34Å; E499-R502 WeakPolarHBondContact O-CA 3.4Å; E499-R502 WeakPolarHBondContact O-CB 3.4Å; E499-R502 PolarHBondContact O-N 3.29Å; E499-R502 IonicContact OE1-CZ 3.33Å; E499-R502 IonicContact OE1-NH1 3.58Å; E499-R502 PolarHBondContact OE1-NH1 3.35Å; E499-R502 IonicContact OE2-CZ 2.86Å; E499-R502 IonicContact OE2-NH1 2.65Å; E499-R502 PolarHBondContact OE2-NH1 3.02Å; E499-E503 PolarHBondContact O-N 2.79Å
500	L	76.4	Confident	71.2	Confident	86 Å²	86	79 Å²	79	45%	0.45	39%	0.391	S	S	.	.	H	α-helix	trans	-64.8	-30.1	179.2	-167	151.2	0	0	0	112	V496 L497 R504	V496-L500 VanDerWaalsContact O-CB 3.24Å; V496-L500 WeakPolarHBondContact O-CB 3.37Å; V496-L500 PolarHBondContact O-N 3.23Å; L497-L500 PolarHBondContact O-N 3.5Å; L500-R504 WeakPolarHBondContact O-CB 3.47Å; L500-R504 PolarHBondContact O-N 3.46Å
501	M	71.6	Confident	72	Confident	29 Å²	29	82.7 Å²	82.7	14%	0.143	40%	0.403	C	S	.	.	H	α-helix	trans	-71.9	-39.5	169.6	-74.2	174.7	159.7	0	0	112.6	L497 A498 E499 R504 R505 A531	L497-M501 HydrophobicContact CD1-CE 4.12Å; L497-M501 HydrophobicContact CD1-CG 4.46Å; L497-M501 HydrophobicContact CD1-SD 4.42Å; L497-M501 HydrophobicContact CG-CE 4.2Å; L497-M501 HydrophobicContact CG-SD 4.14Å; L497-M501 WeakPolarHBondContact O-CB 3.02Å; L497-M501 VanDerWaalsContact O-CG 3.27Å; L497-M501 WeakPolarHBondContact O-CG 3.46Å; L497-M501 PolarHBondContact O-N 2.85Å; A498-M501 PolarHBondContact O-N 3.04Å; E499-M501 PolarHBondContact O-N 3.34Å; M501-R504 PolarHBondContact O-N 2.97Å; M501-R505 WeakPolarHBondContact O-CG 3.29Å; M501-R505 PolarHBondContact O-N 3.26Å; M501-A531 HydrophobicContact CE-CB 3.61Å; M501-A531 HydrophobicContact SD-CB 3.46Å; M501-A531 WeakPolarHBondContact SD-CB 3.35Å
502	R	75.9	Confident	72.6	Confident	127 Å²	127	79.5 Å²	79.5	48%	0.479	38%	0.384	S	S	.	.	H	α-helix	trans	-62.2	-45.1	173.3	-169.2	-175.9	-62.4	126.3	-1	111.1	A498 E499 R504 R505 Q506	A498-R502 WeakPolarHBondContact O-CB 3.3Å; A498-R502 PolarHBondContact O-N 3.25Å; E499-R502 WeakPolarHBondContact O-CA 3.4Å; E499-R502 WeakPolarHBondContact O-CB 3.4Å; E499-R502 PolarHBondContact O-N 3.29Å; E499-R502 IonicContact OE1-CZ 3.33Å; E499-R502 IonicContact OE1-NH1 3.58Å; E499-R502 PolarHBondContact OE1-NH1 3.35Å; E499-R502 IonicContact OE2-CZ 2.86Å; E499-R502 IonicContact OE2-NH1 2.65Å; E499-R502 PolarHBondContact OE2-NH1 3.02Å; R502-R504 PolarHBondContact O-N 2.89Å; R502-R505 PolarHBondContact O-N 2.86Å; R502-R505 VanDerWaalsContact O-N 3.16Å; R502-Q506 PolarHBondContact O-N 2.85Å
503	E	77.4	Confident	73.4	Confident	78 Å²	78	88.8 Å²	88.8	36%	0.364	42%	0.416	S	S	.	.	H	α-helix	trans	-61.4	-41.9	174.6	-159.1	-158	155.9	0	0	111.3	E499 R505 Q506 R507	E499-E503 PolarHBondContact O-N 2.79Å; E503-R505 VanDerWaalsContact C-N 3.33Å; E503-R505 PolarHBondContact O-N 3.09Å; E503-Q506 PolarHBondContact O-N 2.96Å; E503-R507 WeakPolarHBondContact O-CG 3.21Å; E503-R507 PolarHBondContact O-N 3.34Å; E503-R507 IonicContact OE1-CZ 2.68Å; E503-R507 IonicContact OE1-NE 2.71Å; E503-R507 PolarHBondContact OE1-NE 3.18Å; E503-R507 IonicContact OE1-NH2 2.69Å; E503-R507 PolarHBondContact OE1-NH2 3.03Å
504	R	76.8	Confident	74.1	Confident	122 Å²	122	93.3 Å²	93.3	46%	0.46	44%	0.435	S	S	.	.	H	α-helix	trans	-60.7	-39	173.6	-173.7	-172.5	-67.6	175.5	-1.2	112.3	L500 M501 R502 R508	L500-R504 WeakPolarHBondContact O-CB 3.47Å; L500-R504 PolarHBondContact O-N 3.46Å; M501-R504 PolarHBondContact O-N 2.97Å; R502-R504 PolarHBondContact O-N 2.89Å; R504-R508 WeakPolarHBondContact O-CG 3.34Å; R504-R508 PolarHBondContact O-N 2.85Å; R504-R508 VanDerWaalsContact O-N 3.09Å
505	R	72.6	Confident	74.4	Confident	40 Å²	40	95 Å²	95	15%	0.151	44%	0.44	C	S	.	.	H	α-helix	trans	-67.2	-40.7	174.3	-69.5	179.8	-169.5	91.3	8.9	111.6	M501 R502 E503 R508 R509 S528	M501-R505 WeakPolarHBondContact O-CG 3.29Å; M501-R505 PolarHBondContact O-N 3.26Å; R502-R505 PolarHBondContact O-N 2.86Å; R502-R505 VanDerWaalsContact O-N 3.16Å; E503-R505 VanDerWaalsContact C-N 3.33Å; E503-R505 PolarHBondContact O-N 3.09Å; R505-R508 PolarHBondContact O-N 3.42Å; R505-R509 WeakPolarHBondContact O-CG 3.28Å; R505-R509 PolarHBondContact O-N 2.7Å; R505-R509 VanDerWaalsContact O-N 3.08Å; R505-S528 PolarHBondContact NE-OG 3.25Å; R505-S528 VanDerWaalsContact NE-OG 3.1Å; R505-S528 PolarHBondContact NH2-OG 2.78Å
506	Q	79.7	Confident	74.1	Confident	108 Å²	108	94.6 Å²	94.6	51%	0.505	45%	0.452	S	S	.	.	H	α-helix	trans	-60.5	-53.2	173.7	-74.6	173.7	-29.7	0	0	111.7	R502 E503 R508 R509 E510	R502-Q506 PolarHBondContact O-N 2.85Å; E503-Q506 PolarHBondContact O-N 2.96Å; Q506-R508 VanDerWaalsContact C-N 3.28Å; Q506-R508 PolarHBondContact O-N 3.06Å; Q506-R509 WeakPolarHBondContact O-CB 3.43Å; Q506-R509 PolarHBondContact O-N 2.9Å; Q506-E510 WeakPolarHBondContact O-CG 3.37Å; Q506-E510 PolarHBondContact O-N 3.47Å
507	R	77.4	Confident	73.8	Confident	144 Å²	144	95.7 Å²	95.7	54%	0.543	46%	0.459	S	S	.	.	H	α-helix	trans	-58.1	-36.4	178.4	-68.2	179.9	-175.4	-147.4	11.1	112.9	E503 Q511	E503-R507 WeakPolarHBondContact O-CG 3.21Å; E503-R507 PolarHBondContact O-N 3.34Å; E503-R507 IonicContact OE1-CZ 2.68Å; E503-R507 IonicContact OE1-NE 2.71Å; E503-R507 PolarHBondContact OE1-NE 3.18Å; E503-R507 IonicContact OE1-NH2 2.69Å; E503-R507 PolarHBondContact OE1-NH2 3.03Å; R507-Q511 WeakPolarHBondContact O-CB 3.14Å; R507-Q511 VanDerWaalsContact O-CG 3.31Å; R507-Q511 WeakPolarHBondContact O-CG 3.49Å; R507-Q511 PolarHBondContact O-N 3.35Å
508	R	72.8	Confident	73	Confident	67 Å²	67	101.9 Å²	101.9	25%	0.253	49%	0.486	S	S	.	.	H	α-helix	trans	-65	-44.5	173.1	-80.5	-167.1	-78.3	174.9	-2.8	112.2	R504 R505 Q506 E510 Q511 A512 D524 E527	R504-R508 WeakPolarHBondContact O-CG 3.34Å; R504-R508 PolarHBondContact O-N 2.85Å; R504-R508 VanDerWaalsContact O-N 3.09Å; R505-R508 PolarHBondContact O-N 3.42Å; Q506-R508 VanDerWaalsContact C-N 3.28Å; Q506-R508 PolarHBondContact O-N 3.06Å; R508-E510 VanDerWaalsContact C-N 3.34Å; R508-E510 PolarHBondContact O-N 3.43Å; R508-Q511 PolarHBondContact O-N 2.99Å; R508-A512 PolarHBondContact O-N 3.07Å; R508-D524 VanDerWaalsContact CZ-CG 3.49Å; R508-D524 IonicContact CZ-OD1 2.77Å; R508-D524 IonicContact CZ-OD2 3.52Å; R508-D524 IonicContact NE-OD2 3.24Å; R508-D524 IonicContact NH1-OD1 3.11Å; R508-D524 PolarHBondContact NH1-OD1 3.39Å; R508-D524 IonicContact NH1-OD2 2.65Å; R508-D524 PolarHBondContact NH1-OD2 3.23Å; R508-D524 IonicContact NH2-OD1 3.45Å; R508-D524 PolarHBondContact NH2-OD1 2.98Å; R508-D524 IonicContact NH2-OD2 2.92Å; R508-D524 PolarHBondContact NH2-OD2 3.39Å; R508-E527 IonicContact NH2-OE2 3.32Å
509	R	75.1	Confident	72.2	Confident	167 Å²	167	106.2 Å²	106.2	63%	0.63	50%	0.5	S	S	*	.	H	α-helix	trans	-64.2	-36.5	175.9	-69.8	172.6	179.4	-173.8	-1	112.4	R505 Q506 R513	R505-R509 WeakPolarHBondContact O-CG 3.28Å; R505-R509 PolarHBondContact O-N 2.7Å; R505-R509 VanDerWaalsContact O-N 3.08Å; Q506-R509 WeakPolarHBondContact O-CB 3.43Å; Q506-R509 PolarHBondContact O-N 2.9Å; R509-R513 VanDerWaalsContact O-CG 3.3Å; R509-R513 WeakPolarHBondContact O-CG 3.34Å; R509-R513 PolarHBondContact O-N 2.97Å; R509-R513 VanDerWaalsContact O-N 3.12Å
510	E	77.2	Confident	71.3	Confident	108 Å²	108	105.5 Å²	105.5	51%	0.505	51%	0.505	S	S	.	.	H	α-helix	trans	-69.1	-43.4	174.3	-70.5	174	160.5	0	0	112.3	Q506 R508 R513 L514	Q506-E510 WeakPolarHBondContact O-CG 3.37Å; Q506-E510 PolarHBondContact O-N 3.47Å; R508-E510 VanDerWaalsContact C-N 3.34Å; R508-E510 PolarHBondContact O-N 3.43Å; E510-R513 PolarHBondContact O-N 3.15Å; E510-L514 WeakPolarHBondContact O-CG 3.09Å; E510-L514 PolarHBondContact O-N 3.13Å
511	Q	77.2	Confident	70.3	Confident	131 Å²	131	103.6 Å²	103.6	61%	0.612	51%	0.506	S	S	*	.	H	α-helix	trans	-59.7	-47.3	174.3	-77.4	176.5	-8.6	0	0	111.5	R507 R508 R513 L514 S515	R507-Q511 WeakPolarHBondContact O-CB 3.14Å; R507-Q511 VanDerWaalsContact O-CG 3.31Å; R507-Q511 WeakPolarHBondContact O-CG 3.49Å; R507-Q511 PolarHBondContact O-N 3.35Å; R508-Q511 PolarHBondContact O-N 2.99Å; Q511-R513 VanDerWaalsContact C-N 3.33Å; Q511-R513 PolarHBondContact O-N 3.46Å; Q511-L514 PolarHBondContact O-N 3.38Å; Q511-L514 VanDerWaalsContact O-N 3.09Å; Q511-S515 PolarHBondContact O-N 2.97Å; Q511-S515 PolarHBondContact O-OG 2.86Å
512	A	73.2	Confident	69.5	Low	14 Å²	14	108.6 Å²	108.6	12%	0.116	53%	0.534	C	S	.	.	H	α-helix	trans	-59.5	-40.5	177	0	0	0	0	0	113.1	R508 S515 G516 T517 F519	R508-A512 PolarHBondContact O-N 3.07Å; A512-S515 PolarHBondContact O-N 2.91Å; A512-G516 PolarHBondContact O-N 3.19Å; A512-T517 PolarHBondContact O-N 3.29Å; A512-T517 VanDerWaalsContact O-N 3.12Å; A512-F519 HydrophobicContact CB-CB 3.94Å; A512-F519 HydrophobicContact CB-CD2 4.16Å; A512-F519 HydrophobicContact CB-CG 4.38Å
513	R	76.1	Confident	68.5	Low	208 Å²	208	109.1 Å²	109.1	79%	0.785	54%	0.544	S	S	*	.	H	α-helix	trans	-61.6	-41.4	172.7	-77.3	170.7	172.3	177.4	-4.1	112.3	R509 E510 Q511	R509-R513 VanDerWaalsContact O-CG 3.3Å; R509-R513 WeakPolarHBondContact O-CG 3.34Å; R509-R513 PolarHBondContact O-N 2.97Å; R509-R513 VanDerWaalsContact O-N 3.12Å; E510-R513 PolarHBondContact O-N 3.15Å; Q511-R513 VanDerWaalsContact C-N 3.33Å; Q511-R513 PolarHBondContact O-N 3.46Å
514	L	77.6	Confident	67.2	Low	156 Å²	156	106.4 Å²	106.4	82%	0.817	53%	0.532	S	S	*	.	H	α-helix	trans	-75.5	-31	180	-71.2	168.6	0	0	0	113.3	E510 Q511 G516	E510-L514 WeakPolarHBondContact O-CG 3.09Å; E510-L514 PolarHBondContact O-N 3.13Å; Q511-L514 PolarHBondContact O-N 3.38Å; Q511-L514 VanDerWaalsContact O-N 3.09Å; L514-G516 VanDerWaalsContact C-N 3.33Å
515	S	74.4	Confident	66.1	Low	78 Å²	78	105.5 Å²	105.5	55%	0.545	54%	0.537	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	8.1	178	63.6	0	0	0	0	113.9	Q511 A512 T517	Q511-S515 PolarHBondContact O-N 2.97Å; Q511-S515 PolarHBondContact O-OG 2.86Å; A512-S515 PolarHBondContact O-N 2.91Å; S515-T517 WeakPolarHBondContact CB-OG1 3.41Å; S515-T517 PolarHBondContact O-N 3.09Å; S515-T517 PolarHBondContact O-OG1 3.26Å; S515-T517 PolarHBondContact OG-OG1 2.68Å
516	G	62.8	Low	65.3	Low	71 Å²	71	109.9 Å²	109.9	73%	0.732	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	60.3	17.5	178.7	0	0	0	0	0	114.5	A512 L514	A512-G516 PolarHBondContact O-N 3.19Å; L514-G516 VanDerWaalsContact C-N 3.33Å
517	T	62.7	Low	64	Low	85 Å²	85	108.5 Å²	108.5	52%	0.521	56%	0.556	S	S	.	*			trans	-103.2	121.8	-167.4	-19.9	0	0	0	0	109.7	A512 S515 F519	A512-T517 PolarHBondContact O-N 3.29Å; A512-T517 VanDerWaalsContact O-N 3.12Å; S515-T517 WeakPolarHBondContact CB-OG1 3.41Å; S515-T517 PolarHBondContact O-N 3.09Å; S515-T517 PolarHBondContact O-OG1 3.26Å; S515-T517 PolarHBondContact OG-OG1 2.68Å; T517-F519 PolarHBondContact O-N 3.23Å
518	Q	55.7	Low	62.7	Low	200 Å²	200	102.9 Å²	102.9	94%	0.935	54%	0.539	S	S	*	.			trans	-65.9	124.2	175.6	-64.6	-173.2	5.5	0	0	109.5
519	F	49.6	Very low	61.7	Low	119 Å²	119	106.3 Å²	106.3	52%	0.522	56%	0.557	S	S	.	*			trans	-106.1	112.8	-178.1	-161.7	-83	0	0	0	108.4	A512 T517	A512-F519 HydrophobicContact CB-CB 3.94Å; A512-F519 HydrophobicContact CB-CD2 4.16Å; A512-F519 HydrophobicContact CB-CG 4.38Å; T517-F519 PolarHBondContact O-N 3.23Å
520	S	55.5	Low	60.5	Low	78 Å²	78	105.3 Å²	105.3	55%	0.545	56%	0.56	S	S	.	*			trans	-65	133.8	172.6	44.5	0	0	0	0	109.8	D522	S520-D522 VanDerWaalsContact C-N 3.31Å; S520-D522 PolarHBondContact O-N 2.91Å
521	G	55.2	Low	59	Low	45 Å²	45	101.1 Å²	101.1	46%	0.464	54%	0.544	S	S	.	.	S	Bend	trans	-76.7	-19.2	-170.4	0	0	0	0	0	114.1	I523	G521-I523 VanDerWaalsContact C-N 3.3Å; G521-I523 PolarHBondContact O-N 2.79Å; G521-I523 VanDerWaalsContact O-N 3.14Å
522	D	54.5	Low	57.6	Low	135 Å²	135	101.4 Å²	101.4	72%	0.722	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-0.5	-145.6	-39.6	-76.5	0	0	0	114.7	S520	S520-D522 VanDerWaalsContact C-N 3.31Å; S520-D522 PolarHBondContact O-N 2.91Å
523	I	55.9	Low	56.5	Low	137 Å²	137	105 Å²	105	70%	0.703	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.1	-26.5	-175.3	-63.8	175.5	0	0	0	112.3	G521	G521-I523 VanDerWaalsContact C-N 3.3Å; G521-I523 PolarHBondContact O-N 2.79Å; G521-I523 VanDerWaalsContact O-N 3.14Å
524	D	50.1	Low	54.8	Low	21 Å²	21	99.8 Å²	99.8	11%	0.112	56%	0.56	C	S	.	*	H	α-helix	trans	-82.7	-12.8	-172.3	-93.8	-13.5	0	0	0	114.5	R508 S528	R508-D524 VanDerWaalsContact CZ-CG 3.49Å; R508-D524 IonicContact CZ-OD1 2.77Å; R508-D524 IonicContact CZ-OD2 3.52Å; R508-D524 IonicContact NE-OD2 3.24Å; R508-D524 IonicContact NH1-OD1 3.11Å; R508-D524 PolarHBondContact NH1-OD1 3.39Å; R508-D524 IonicContact NH1-OD2 2.65Å; R508-D524 PolarHBondContact NH1-OD2 3.23Å; R508-D524 IonicContact NH2-OD1 3.45Å; R508-D524 PolarHBondContact NH2-OD1 2.98Å; R508-D524 IonicContact NH2-OD2 2.92Å; R508-D524 PolarHBondContact NH2-OD2 3.39Å; D524-S528 PolarHBondContact O-N 2.88Å; D524-S528 PolarHBondContact O-OG 3.26Å
525	D	53.4	Low	53.1	Low	103 Å²	103	98.5 Å²	98.5	55%	0.551	55%	0.554	S	S	*	*	H	α-helix	trans	-81.5	-25.5	-172.9	-74.5	-23.3	0	0	0	113.6	S528 Q529	D525-S528 VanDerWaalsContact O-CB 3.27Å; D525-S528 WeakPolarHBondContact O-CB 3.36Å; D525-S528 PolarHBondContact O-N 2.85Å; D525-Q529 PolarHBondContact O-N 2.77Å
526	L	55.2	Low	51.3	Low	133 Å²	133	102.3 Å²	102.3	70%	0.696	56%	0.557	S	S	*	*	H	α-helix	trans	-71.8	-47	174.2	-76.4	163.7	0	0	0	112	S528 Q529 E530	L526-S528 PolarHBondContact O-N 3.24Å; L526-S528 VanDerWaalsContact O-N 3.08Å; L526-Q529 PolarHBondContact O-N 3.34Å; L526-E530 PolarHBondContact O-N 2.8Å
527	E	53.1	Low	50.3	Low	79 Å²	79	103.2 Å²	103.2	37%	0.369	55%	0.552	S	S	.	*	H	α-helix	trans	-59.3	-21.2	171.4	-163	-165.5	-177.8	0	0	111.3	R508 A531	R508-E527 IonicContact NH2-OE2 3.32Å; E527-A531 VanDerWaalsContact O-CB 3.29Å; E527-A531 WeakPolarHBondContact O-CB 3.39Å; E527-A531 PolarHBondContact O-N 3.25Å
528	S	50.3	Low	48.8	Very low	25 Å²	25	108.4 Å²	108.4	18%	0.175	57%	0.568	C	S	.	*	H	α-helix	trans	-75.5	-33.2	175.8	-55.8	0	0	0	0	113.7	R505 D524 D525 L526 L532	R505-S528 PolarHBondContact NE-OG 3.25Å; R505-S528 VanDerWaalsContact NE-OG 3.1Å; R505-S528 PolarHBondContact NH2-OG 2.78Å; D524-S528 PolarHBondContact O-N 2.88Å; D524-S528 PolarHBondContact O-OG 3.26Å; D525-S528 VanDerWaalsContact O-CB 3.27Å; D525-S528 WeakPolarHBondContact O-CB 3.36Å; D525-S528 PolarHBondContact O-N 2.85Å; L526-S528 PolarHBondContact O-N 3.24Å; L526-S528 VanDerWaalsContact O-N 3.08Å; S528-L532 WeakPolarHBondContact O-CD1 3.49Å; S528-L532 WeakPolarHBondContact O-CG 3.44Å
529	Q	51.1	Low	47.8	Very low	139 Å²	139	106.5 Å²	106.5	65%	0.65	56%	0.564	S	S	*	*	H	α-helix	trans	-80.3	-47.8	179.3	-66	-178.1	3.5	0	0	111	D525 L526 A531 L532 S533	D525-Q529 PolarHBondContact O-N 2.77Å; L526-Q529 PolarHBondContact O-N 3.34Å; Q529-A531 PolarHBondContact O-N 3.06Å; Q529-L532 PolarHBondContact O-N 2.92Å; Q529-S533 PolarHBondContact O-N 3.03Å; Q529-S533 PolarHBondContact O-OG 2.86Å
530	E	49.8	Very low	46.9	Very low	146 Å²	146	104.5 Å²	104.5	68%	0.682	58%	0.577	S	S	*	*	H	α-helix	trans	-59.9	-30.8	-179.4	-166.2	176.3	-130.7	0	0	112.7	L526 S533 I534	L526-E530 PolarHBondContact O-N 2.8Å; E530-S533 PolarHBondContact O-OG 3.47Å; E530-I534 WeakPolarHBondContact O-CG1 3.43Å
531	A	46.1	Very low	46	Very low	20 Å²	20	107.9 Å²	107.9	17%	0.165	59%	0.588	C	S	.	*	T	Hydrogen-bonded Turn	trans	-76	-19.1	175.5	0	0	0	0	0	115	M501 E527 Q529	M501-A531 HydrophobicContact CE-CB 3.61Å; M501-A531 HydrophobicContact SD-CB 3.46Å; M501-A531 WeakPolarHBondContact SD-CB 3.35Å; E527-A531 VanDerWaalsContact O-CB 3.29Å; E527-A531 WeakPolarHBondContact O-CB 3.39Å; E527-A531 PolarHBondContact O-N 3.25Å; Q529-A531 PolarHBondContact O-N 3.06Å
532	L	47.2	Very low	45.4	Very low	138 Å²	138	110.4 Å²	110.4	72%	0.723	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.9	-18.1	179.9	-69.7	173.2	0	0	0	112.7	A498 S528 Q529 I534	A498-L532 HydrophobicContact CB-CD2 4.47Å; S528-L532 WeakPolarHBondContact O-CD1 3.49Å; S528-L532 WeakPolarHBondContact O-CG 3.44Å; Q529-L532 PolarHBondContact O-N 2.92Å; L532-I534 VanDerWaalsContact C-N 3.32Å
533	S	50.5	Low	44.7	Very low	90 Å²	90	110.1 Å²	110.1	63%	0.629	59%	0.594	S	S	*	*	S	Bend	trans	-83.8	2.7	174.7	44.5	0	0	0	0	114.5	Q529 E530 D535	Q529-S533 PolarHBondContact O-N 3.03Å; Q529-S533 PolarHBondContact O-OG 2.86Å; E530-S533 PolarHBondContact O-OG 3.47Å; S533-D535 VanDerWaalsContact C-N 3.27Å; S533-D535 PolarHBondContact O-N 3.18Å
534	I	40.3	Very low	44.4	Very low	97 Å²	97	109.3 Å²	109.3	50%	0.497	60%	0.596	S	S	.	*			trans	-79.1	70	-177.8	-45.8	-178.6	0	0	0	111.8	E530 L532	E530-I534 WeakPolarHBondContact O-CG1 3.43Å; L532-I534 VanDerWaalsContact C-N 3.32Å
535	D	40.6	Very low	44.1	Very low	129 Å²	129	112.7 Å²	112.7	69%	0.69	61%	0.613	S	S	*	*			trans	-67.4	132.9	160	-99.3	-36.2	0	0	0	109.9	S533 S537	S533-D535 VanDerWaalsContact C-N 3.27Å; S533-D535 PolarHBondContact O-N 3.18Å; D535-S537 VanDerWaalsContact C-N 3.26Å; D535-S537 PolarHBondContact O-N 2.81Å
536	Y	38.1	Very low	43.8	Very low	158 Å²	158	113.3 Å²	113.3	62%	0.62	62%	0.617	S	S	*	*			trans	-80.8	63.4	-167.6	-109.5	-94.1	0	0	0	113.9	K593	Y536-K593 PolarHBondContact O-NZ 3.04Å
537	S	40.8	Very low	43.8	Very low	90 Å²	90	116 Å²	116	63%	0.629	63%	0.625	S	S	*	*			trans	-102.5	81.4	169.1	-65.9	0	0	0	0	110.2	D535 D539	D535-S537 VanDerWaalsContact C-N 3.26Å; D535-S537 PolarHBondContact O-N 2.81Å; S537-D539 PolarHBondContact O-N 3.31Å
538	F	32.6	Very low	43.9	Very low	195 Å²	195	116 Å²	116	86%	0.855	63%	0.634	S	S	*	*			trans	-77.2	65.9	170.4	-179.4	-102.1	0	0	0	110.2
539	D	33.2	Very low	44	Very low	159 Å²	159	118.5 Å²	118.5	85%	0.85	65%	0.648	S	S	*	*			trans	-157.8	79.6	173.6	-79.5	-57.4	0	0	0	106.7	S537	S537-D539 PolarHBondContact O-N 3.31Å
540	G	32.5	Very low	43.9	Very low	77 Å²	77	119.2 Å²	119.2	79%	0.794	65%	0.651	S	S	*	*			trans	-175.5	128.5	-173.5	0	0	0	0	0	114.5
541	I	36.3	Very low	44.1	Very low	150 Å²	150	119.3 Å²	119.3	77%	0.769	65%	0.651	S	S	*	*			trans	-66.8	148.1	162.1	-65	166.1	0	0	0	107.3	D543	I541-D543 PolarHBondContact O-N 2.95Å
542	P	42.6	Very low	44.8	Very low	98 Å²	98	126 Å²	126	64%	0.636	68%	0.683	S	S	*	*			trans	-54.6	128.9	174.1	22.1	-34.5	0	0	0	111.5	T544	P542-T544 PolarHBondContact O-N 2.83Å
543	D	38.8	Very low	45.7	Very low	128 Å²	128	122.1 Å²	122.1	68%	0.684	68%	0.676	S	S	*	*	S	Bend	trans	-68.2	68.5	177.1	-69.1	-78.1	0	0	0	111.2	I541 K566	I541-D543 PolarHBondContact O-N 2.95Å; D543-K566 IonicContact OD1-NZ 2.71Å; D543-K566 PolarHBondContact OD1-NZ 2.95Å; D543-K566 IonicContact OD2-NZ 3.46Å
544	T	49.1	Very low	46.8	Very low	120 Å²	120	124.2 Å²	124.2	74%	0.736	68%	0.679	S	S	*	*			trans	-129	46.4	171.7	67.8	0	0	0	0	110.8	P542 D546	P542-T544 PolarHBondContact O-N 2.83Å; T544-D546 PolarHBondContact O-N 3.11Å
545	I	45.6	Very low	48.3	Very low	93 Å²	93	120.7 Å²	120.7	48%	0.477	67%	0.667	S	S	.	*			trans	-79.8	113.8	163.1	-61.4	179.8	0	0	0	106.6
546	D	46.4	Very low	50	Low	116 Å²	116	119 Å²	119	62%	0.62	66%	0.655	S	S	*	*			trans	-58.2	138.4	-179.8	-171.6	34.5	0	0	0	111	T544 S548	T544-D546 PolarHBondContact O-N 3.11Å; D546-S548 VanDerWaalsContact CG-OG 3.29Å; D546-S548 PolarHBondContact O-N 3.32Å; D546-S548 WeakPolarHBondContact OD2-CB 3.41Å; D546-S548 PolarHBondContact OD2-OG 3.28Å
547	H	55.3	Low	51.9	Low	188 Å²	188	114.2 Å²	114.2	87%	0.87	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.2	29.2	-177.2	-72.8	-60.6	0	0	0	113.1
548	S	55.9	Low	53.6	Low	80 Å²	80	114 Å²	114	56%	0.559	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.5	-10.1	-179.2	58.9	0	0	0	0	113.4	D546 E550	D546-S548 VanDerWaalsContact CG-OG 3.29Å; D546-S548 PolarHBondContact O-N 3.32Å; D546-S548 WeakPolarHBondContact OD2-CB 3.41Å; D546-S548 PolarHBondContact OD2-OG 3.28Å; S548-E550 PolarHBondContact O-N 3.26Å; S548-E550 VanDerWaalsContact O-N 3.13Å
549	V	51	Low	55.7	Low	78 Å²	78	108.2 Å²	108.2	47%	0.473	62%	0.616	S	S	.	*			trans	-88.9	54.7	178.5	-163.2	0	0	0	0	111.3
550	E	49.2	Very low	57.8	Low	153 Å²	153	108.7 Å²	108.7	72%	0.715	61%	0.606	S	S	*	*			trans	-87.1	136.4	163.1	-64.4	-162.3	136.2	0	0	109.9	S548	S548-E550 PolarHBondContact O-N 3.26Å; S548-E550 VanDerWaalsContact O-N 3.13Å
551	H	54.7	Low	60.1	Low	148 Å²	148	112 Å²	112	69%	0.685	60%	0.601	S	S	*	*	S	Bend	trans	74.6	146.3	179.5	-51.7	-85.7	0	0	0	118
552	I	60.6	Low	62	Low	161 Å²	161	107.9 Å²	107.9	83%	0.826	58%	0.578	S	S	*	*	S	Bend	trans	79.8	109.7	172.1	-49.6	173.6	0	0	0	116.6	I554	I552-I554 PolarHBondContact O-N 3.29Å
553	G	66	Low	63.6	Low	57 Å²	57	105.4 Å²	105.4	59%	0.588	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	73.3	-119.1	155.1	0	0	0	0	0	116
554	I	72.8	Confident	65.5	Low	133 Å²	133	103 Å²	103	68%	0.682	55%	0.551	S	S	*	*	H	α-helix	trans	-80	-34.6	-159.4	-67	170.2	0	0	0	112.7	I552 Q556 A557 I558	I552-I554 PolarHBondContact O-N 3.29Å; I554-Q556 VanDerWaalsContact C-N 3.32Å; I554-Q556 PolarHBondContact O-N 2.79Å; I554-A557 WeakPolarHBondContact O-CB 3.26Å; I554-A557 PolarHBondContact O-N 2.72Å; I554-I558 HydrophobicContact CG2-CD1 3.77Å; I554-I558 HydrophobicContact CG2-CG1 4.19Å; I554-I558 PolarHBondContact O-N 2.78Å
555	G	73.2	Confident	66.7	Low	23 Å²	23	100.6 Å²	100.6	24%	0.237	54%	0.539	C	S	.	.	H	α-helix	trans	-58.5	-43.2	-179.9	0	0	0	0	0	112.5	A557 I558 L559	G555-A557 VanDerWaalsContact C-N 3.26Å; G555-A557 PolarHBondContact O-N 2.86Å; G555-I558 PolarHBondContact O-N 2.89Å; G555-L559 WeakPolarHBondContact O-CB 3.31Å; G555-L559 WeakPolarHBondContact O-CG 3.2Å; G555-L559 PolarHBondContact O-N 3.24Å
556	Q	75.4	Confident	68	Low	94 Å²	94	100.9 Å²	100.9	44%	0.439	54%	0.537	S	S	.	.	H	α-helix	trans	-64.4	-28.9	176.8	-149.8	90.6	38.9	0	0	113.1	I554 R560	I554-Q556 VanDerWaalsContact C-N 3.32Å; I554-Q556 PolarHBondContact O-N 2.79Å; Q556-R560 VanDerWaalsContact O-CB 3.32Å; Q556-R560 WeakPolarHBondContact O-CB 3.32Å; Q556-R560 PolarHBondContact O-N 2.62Å
557	A	77.3	Confident	69.2	Low	57 Å²	57	103.7 Å²	103.7	47%	0.471	54%	0.539	S	S	.	.	H	α-helix	trans	-75.3	-46.8	176.8	0	0	0	0	0	110.9	I554 G555 R560 E561	I554-A557 WeakPolarHBondContact O-CB 3.26Å; I554-A557 PolarHBondContact O-N 2.72Å; G555-A557 VanDerWaalsContact C-N 3.26Å; G555-A557 PolarHBondContact O-N 2.86Å; A557-R560 PolarHBondContact O-N 3.01Å; A557-R560 VanDerWaalsContact O-N 3.15Å; A557-E561 PolarHBondContact O-N 3.11Å
558	I	77.4	Confident	70	Confident	86 Å²	86	102.5 Å²	102.5	44%	0.441	53%	0.526	S	S	.	.	H	α-helix	trans	-59	-49.4	175.5	-64.1	171	0	0	0	110.2	I554 G555 R560 E561 E562	I554-I558 HydrophobicContact CG2-CD1 3.77Å; I554-I558 HydrophobicContact CG2-CG1 4.19Å; I554-I558 PolarHBondContact O-N 2.78Å; G555-I558 PolarHBondContact O-N 2.89Å; I558-R560 PolarHBondContact O-N 2.97Å; I558-E561 PolarHBondContact O-N 2.81Å; I558-E562 VanDerWaalsContact O-CB 3.27Å; I558-E562 WeakPolarHBondContact O-CB 3.34Å; I558-E562 PolarHBondContact O-N 3.23Å
559	L	76.8	Confident	70.2	Confident	73 Å²	73	101.6 Å²	101.6	38%	0.382	52%	0.52	S	S	.	.	H	α-helix	trans	-60.4	-32.1	177.6	-70.8	171.1	0	0	0	112.8	G555 A563	G555-L559 WeakPolarHBondContact O-CB 3.31Å; G555-L559 WeakPolarHBondContact O-CG 3.2Å; G555-L559 PolarHBondContact O-N 3.24Å; L559-A563 WeakPolarHBondContact O-CB 3.27Å; L559-A563 PolarHBondContact O-N 3.19Å
560	R	77.6	Confident	70.5	Confident	169 Å²	169	109 Å²	109	64%	0.638	54%	0.54	S	S	*	.	H	α-helix	trans	-75.6	-43.1	176.6	-167.9	-174.6	-58.7	-179.7	1.2	112	Q556 A557 I558 A563 E564	Q556-R560 VanDerWaalsContact O-CB 3.32Å; Q556-R560 WeakPolarHBondContact O-CB 3.32Å; Q556-R560 PolarHBondContact O-N 2.62Å; A557-R560 PolarHBondContact O-N 3.01Å; A557-R560 VanDerWaalsContact O-N 3.15Å; I558-R560 PolarHBondContact O-N 2.97Å; R560-A563 PolarHBondContact O-N 3.47Å; R560-E564 WeakPolarHBondContact O-CB 3.09Å; R560-E564 PolarHBondContact O-N 3.46Å
561	E	80.2	Confident	70.9	Confident	147 Å²	147	105.8 Å²	105.8	69%	0.687	53%	0.534	S	S	*	.	H	α-helix	trans	-63.9	-41.7	174.9	-179.1	169.8	-154	0	0	111.4	A557 I558 E564 S565	A557-E561 PolarHBondContact O-N 3.11Å; I558-E561 PolarHBondContact O-N 2.81Å; E561-E564 CarbonylContact O-C 3.57Å; E561-E564 PolarHBondContact O-N 3.48Å; E561-S565 WeakPolarHBondContact O-CB 3.44Å; E561-S565 PolarHBondContact O-N 2.72Å
562	E	76.1	Confident	71	Confident	63 Å²	63	105.5 Å²	105.5	29%	0.294	53%	0.533	S	S	.	.	H	α-helix	trans	-68.4	-41.2	176.5	-160.1	-160.6	125.1	0	0	111.7	I558 E564 S565 K566	I558-E562 VanDerWaalsContact O-CB 3.27Å; I558-E562 WeakPolarHBondContact O-CB 3.34Å; I558-E562 PolarHBondContact O-N 3.23Å; E562-E564 VanDerWaalsContact C-N 3.33Å; E562-E564 PolarHBondContact O-N 2.66Å; E562-S565 PolarHBondContact O-N 2.89Å; E562-S565 VanDerWaalsContact O-N 3.17Å; E562-K566 HydrophobicContact CG-CD 4.44Å; E562-K566 WeakPolarHBondContact O-CB 3.44Å; E562-K566 PolarHBondContact O-N 3.15Å; E562-K566 VanDerWaalsContact OE1-CE 3.23Å; E562-K566 WeakPolarHBondContact OE1-CE 3.32Å; E562-K566 IonicContact OE1-NZ 2.68Å; E562-K566 PolarHBondContact OE1-NZ 3.12Å
563	A	77.3	Confident	70.9	Confident	46 Å²	46	103.4 Å²	103.4	38%	0.38	53%	0.528	S	S	.	.	H	α-helix	trans	-64	-36.7	171.8	0	0	0	0	0	112.2	L559 R560 R567	L559-A563 WeakPolarHBondContact O-CB 3.27Å; L559-A563 PolarHBondContact O-N 3.19Å; R560-A563 PolarHBondContact O-N 3.47Å; A563-R567 WeakPolarHBondContact O-CB 3.49Å; A563-R567 VanDerWaalsContact O-CG 3.23Å; A563-R567 WeakPolarHBondContact O-CG 3.26Å; A563-R567 PolarHBondContact O-N 3.4Å
564	E	77.8	Confident	70.5	Confident	77 Å²	77	103.8 Å²	103.8	36%	0.36	51%	0.512	S	S	.	.	H	α-helix	trans	-67.7	-36.5	170.2	-81.7	-164.2	-156.5	0	0	112.5	R560 E561 E562 R567 R568	R560-E564 WeakPolarHBondContact O-CB 3.09Å; R560-E564 PolarHBondContact O-N 3.46Å; E561-E564 CarbonylContact O-C 3.57Å; E561-E564 PolarHBondContact O-N 3.48Å; E562-E564 VanDerWaalsContact C-N 3.33Å; E562-E564 PolarHBondContact O-N 2.66Å; E564-R567 CarbonylContact O-C 3.57Å; E564-R567 WeakPolarHBondContact O-CB 3.46Å; E564-R567 PolarHBondContact O-N 3.12Å; E564-R568 WeakPolarHBondContact O-CB 3.17Å; E564-R568 WeakPolarHBondContact O-CG 3.35Å; E564-R568 PolarHBondContact O-N 3.36Å; E564-R568 IonicContact OE2-CZ 3.13Å; E564-R568 IonicContact OE2-NE 2.69Å; E564-R568 IonicContact OE2-NH2 3.57Å; E564-R568 PolarHBondContact OE2-NH2 2.93Å
565	S	74.7	Confident	69.7	Low	71 Å²	71	100.4 Å²	100.4	50%	0.497	50%	0.495	S	S	.	.	H	α-helix	trans	-67.6	-45.6	175.2	-167.9	0	0	0	0	111.8	E561 E562 R567 R568 S569	E561-S565 WeakPolarHBondContact O-CB 3.44Å; E561-S565 PolarHBondContact O-N 2.72Å; E562-S565 PolarHBondContact O-N 2.89Å; E562-S565 VanDerWaalsContact O-N 3.17Å; S565-R567 PolarHBondContact O-N 2.83Å; S565-R568 PolarHBondContact O-N 2.89Å; S565-S569 WeakPolarHBondContact O-CB 3.47Å; S565-S569 PolarHBondContact O-N 2.68Å; S565-S569 PolarHBondContact O-OG 3.38Å
566	K	72.5	Confident	69.1	Low	98 Å²	98	100.5 Å²	100.5	43%	0.426	49%	0.49	S	S	.	.	H	α-helix	trans	-63.5	-25.3	172	-75.9	172.7	168.3	169.9	0	112.2	D543 E562 S569 R570	D543-K566 IonicContact OD1-NZ 2.71Å; D543-K566 PolarHBondContact OD1-NZ 2.95Å; D543-K566 IonicContact OD2-NZ 3.46Å; E562-K566 HydrophobicContact CG-CD 4.44Å; E562-K566 WeakPolarHBondContact O-CB 3.44Å; E562-K566 PolarHBondContact O-N 3.15Å; E562-K566 VanDerWaalsContact OE1-CE 3.23Å; E562-K566 WeakPolarHBondContact OE1-CE 3.32Å; E562-K566 IonicContact OE1-NZ 2.68Å; E562-K566 PolarHBondContact OE1-NZ 3.12Å; K566-S569 WeakPolarHBondContact CA-OG 3.23Å; K566-S569 PolarHBondContact O-OG 3.37Å; K566-R570 WeakPolarHBondContact O-CG 3.26Å
567	R	72.3	Confident	68.4	Low	176 Å²	176	97.5 Å²	97.5	66%	0.664	48%	0.479	S	S	*	.	H	α-helix	trans	-76.6	-50.2	166.7	-76.6	170.9	-177.5	179.7	1.7	112.7	A563 E564 S565 S569 R570 S571	A563-R567 WeakPolarHBondContact O-CB 3.49Å; A563-R567 VanDerWaalsContact O-CG 3.23Å; A563-R567 WeakPolarHBondContact O-CG 3.26Å; A563-R567 PolarHBondContact O-N 3.4Å; E564-R567 CarbonylContact O-C 3.57Å; E564-R567 WeakPolarHBondContact O-CB 3.46Å; E564-R567 PolarHBondContact O-N 3.12Å; S565-R567 PolarHBondContact O-N 2.83Å; R567-S569 VanDerWaalsContact C-N 3.31Å; R567-S569 PolarHBondContact O-N 2.95Å; R567-R570 CarbonylContact O-C 3.55Å; R567-R570 PolarHBondContact O-N 3.15Å; R567-R570 VanDerWaalsContact O-N 3.12Å; R567-S571 PolarHBondContact O-N 3.5Å; R567-S571 PolarHBondContact O-OG 3.27Å
568	R	70.9	Confident	67.4	Low	162 Å²	162	96.8 Å²	96.8	61%	0.611	47%	0.468	S	S	*	.	H	α-helix	trans	-60.3	-38.2	-177.7	-74.6	169.7	-164.2	-172.8	7.9	112	E564 S565 S571 Q572	E564-R568 WeakPolarHBondContact O-CB 3.17Å; E564-R568 WeakPolarHBondContact O-CG 3.35Å; E564-R568 PolarHBondContact O-N 3.36Å; E564-R568 IonicContact OE2-CZ 3.13Å; E564-R568 IonicContact OE2-NE 2.69Å; E564-R568 IonicContact OE2-NH2 3.57Å; E564-R568 PolarHBondContact OE2-NH2 2.93Å; S565-R568 PolarHBondContact O-N 2.89Å; R568-S571 WeakPolarHBondContact CA-OG 3.39Å; R568-S571 CarbonylContact O-C 3.38Å; R568-S571 PolarHBondContact O-N 2.93Å; R568-S571 PolarHBondContact O-OG 2.95Å; R568-Q572 WeakPolarHBondContact O-CB 3.38Å; R568-Q572 PolarHBondContact O-N 3.39Å
569	S	60.7	Low	66.7	Low	62 Å²	62	95.4 Å²	95.4	43%	0.434	47%	0.466	S	S	.	.	H	α-helix	trans	-69	-41.2	173.2	52.2	0	0	0	0	112.7	S565 K566 R567 S571 Q572	S565-S569 WeakPolarHBondContact O-CB 3.47Å; S565-S569 PolarHBondContact O-N 2.68Å; S565-S569 PolarHBondContact O-OG 3.38Å; K566-S569 WeakPolarHBondContact CA-OG 3.23Å; K566-S569 PolarHBondContact O-OG 3.37Å; R567-S569 VanDerWaalsContact C-N 3.31Å; R567-S569 PolarHBondContact O-N 2.95Å; S569-S571 VanDerWaalsContact C-N 3.34Å; S569-S571 PolarHBondContact O-N 3.21Å; S569-Q572 WeakPolarHBondContact O-CB 3.43Å; S569-Q572 PolarHBondContact O-N 3.36Å
570	R	57.8	Low	66	Low	233 Å²	233	92.3 Å²	92.3	88%	0.879	45%	0.451	S	S	*	.	H	α-helix	trans	-65.4	-32.9	171.5	-85	-177.3	164.8	-179.1	-3	113.5	K566 R567	K566-R570 WeakPolarHBondContact O-CG 3.26Å; R567-R570 CarbonylContact O-C 3.55Å; R567-R570 PolarHBondContact O-N 3.15Å; R567-R570 VanDerWaalsContact O-N 3.12Å
571	S	56.4	Low	65.3	Low	85 Å²	85	88.2 Å²	88.2	59%	0.594	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-4.1	176.1	67.3	0	0	0	0	113.7	R567 R568 S569 T573	R567-S571 PolarHBondContact O-N 3.5Å; R567-S571 PolarHBondContact O-OG 3.27Å; R568-S571 WeakPolarHBondContact CA-OG 3.39Å; R568-S571 CarbonylContact O-C 3.38Å; R568-S571 PolarHBondContact O-N 2.93Å; R568-S571 PolarHBondContact O-OG 2.95Å; S569-S571 VanDerWaalsContact C-N 3.34Å; S569-S571 PolarHBondContact O-N 3.21Å; S571-T573 PolarHBondContact O-N 3.28Å
572	Q	58.1	Low	64.2	Low	142 Å²	142	90.7 Å²	90.7	66%	0.664	45%	0.452	S	S	*	.	S	Bend	trans	-67.5	106.2	179.1	-170.9	171.5	42.6	0	0	107.8	R568 S569 Y574	R568-Q572 WeakPolarHBondContact O-CB 3.38Å; R568-Q572 PolarHBondContact O-N 3.39Å; S569-Q572 WeakPolarHBondContact O-CB 3.43Å; S569-Q572 PolarHBondContact O-N 3.36Å; Q572-Y574 PolarHBondContact O-N 3.03Å
573	T	58.4	Low	63.3	Low	117 Å²	117	90.7 Å²	90.7	72%	0.718	46%	0.456	S	S	*	.			trans	-59.6	101.2	177.5	46.2	0	0	0	0	108.7	S571 L575	S571-T573 PolarHBondContact O-N 3.28Å; T573-L575 PolarHBondContact O-N 2.86Å
574	Y	56.9	Low	61.9	Low	66 Å²	66	95 Å²	95	26%	0.259	48%	0.48	S	S	.	.			trans	-70.6	97.9	-177.3	-140	-45.9	0	0	0	107.6	Q572 D576 K593 T598 F601	Q572-Y574 PolarHBondContact O-N 3.03Å; Y574-D576 PolarHBondContact O-N 3.37Å; Y574-K593 WeakPolarHBondContact OH-CD 3.26Å; Y574-T598 HydrophobicContact CD2-CG2 4.41Å; Y574-T598 HydrophobicContact CE2-CG2 3.55Å; Y574-T598 WeakPolarHBondContact OH-CG2 3.35Å; Y574-F601 AromaticContact CD1-CE2 3.41Å; Y574-F601 HydrophobicContact CD1-CE2 3.41Å; Y574-F601 VanDerWaalsContact CD1-CE2 3.41Å; Y574-F601 AromaticContact CD1-CZ 3.43Å; Y574-F601 HydrophobicContact CD1-CZ 3.43Å; Y574-F601 VanDerWaalsContact CD1-CZ 3.43Å; Y574-F601 AromaticContact CE1-CE2 3.71Å; Y574-F601 HydrophobicContact CE1-CE2 3.71Å; Y574-F601 HydrophobicContact CE1-CZ 4.21Å; Y574-F601 HydrophobicContact CG-CE2 4.08Å; Y574-F601 AromaticContact CG-CZ 3.81Å; Y574-F601 HydrophobicContact CG-CZ 3.81Å; Y574-F601 WeakPolarHBondContact O-CE1 3.44Å; Y574-F601 WeakPolarHBondContact O-CZ 3.42Å
575	L	56.9	Low	60.9	Low	62 Å²	62	95.8 Å²	95.8	33%	0.325	49%	0.487	S	S	.	.			trans	-75.3	122.5	173.9	-62.5	176.2	0	0	0	108	T573 A580 V588	T573-L575 PolarHBondContact O-N 2.86Å; L575-A580 HydrophobicContact CB-CB 3.91Å; L575-A580 HydrophobicContact CD1-CB 4.25Å; L575-V588 HydrophobicContact CD1-CG1 4.14Å
576	D	60	Low	60.1	Low	25 Å²	25	97.4 Å²	97.4	13%	0.134	51%	0.505	C	S	.	.			trans	-49.5	129.7	162.8	167.9	14	0	0	0	108.3	Y574 V578 S579 A580 R595 F601	Y574-D576 PolarHBondContact O-N 3.37Å; D576-V578 PolarHBondContact O-N 2.99Å; D576-V578 PolarHBondContact OD1-N 2.93Å; D576-V578 VanDerWaalsContact OD1-N 3.1Å; D576-S579 CarbonylContact O-C 3.4Å; D576-S579 WeakPolarHBondContact O-CA 3.32Å; D576-S579 WeakPolarHBondContact O-CB 3.45Å; D576-S579 PolarHBondContact O-N 3.21Å; D576-A580 PolarHBondContact O-N 3.44Å; D576-R595 IonicContact OD1-CZ 3.1Å; D576-R595 IonicContact OD1-NE 3.34Å; D576-R595 PolarHBondContact OD1-NE 2.95Å; D576-R595 IonicContact OD1-NH2 3.33Å; D576-R595 PolarHBondContact OD1-NH2 3.15Å; D576-R595 IonicContact OD2-CZ 2.62Å; D576-R595 IonicContact OD2-NE 3.72Å; D576-R595 PolarHBondContact OD2-NE 3.2Å; D576-R595 IonicContact OD2-NH2 2.72Å; D576-R595 PolarHBondContact OD2-NH2 3.48Å; D576-F601 HydrophobicContact CB-CD1 3.91Å; D576-F601 HydrophobicContact CB-CE1 3.95Å; D576-F601 HydrophobicContact CB-CG 4.31Å; D576-F601 HydrophobicContact CB-CZ 4.38Å
577	P	60.6	Low	59.7	Low	31 Å²	31	97.1 Å²	97.1	20%	0.201	52%	0.515	C	S	.	.	H	α-helix	trans	-52.4	-24	179	-31	36.8	0	0	0	114.8	S581	P577-S581 WeakPolarHBondContact O-CB 3.31Å; P577-S581 PolarHBondContact O-N 2.96Å; P577-S581 VanDerWaalsContact O-N 3.14Å; P577-S581 PolarHBondContact O-OG 2.99Å
578	V	57	Low	59	Low	41 Å²	41	92.2 Å²	92.2	25%	0.248	51%	0.505	C	S	.	.	H	α-helix	trans	-78.2	-28.4	173.4	-176.2	0	0	0	0	112.9	D576 S581 R582	D576-V578 PolarHBondContact O-N 2.99Å; D576-V578 PolarHBondContact OD1-N 2.93Å; D576-V578 VanDerWaalsContact OD1-N 3.1Å; V578-S581 WeakPolarHBondContact CA-OG 3.49Å; V578-S581 PolarHBondContact O-OG 3.3Å; V578-R582 WeakPolarHBondContact O-CD 3.47Å; V578-R582 VanDerWaalsContact O-CG 3.27Å; V578-R582 WeakPolarHBondContact O-CG 3.37Å
579	S	62.4	Low	58.4	Low	57 Å²	57	91.8 Å²	91.8	40%	0.399	51%	0.509	S	S	.	.	H	α-helix	trans	-77.4	-43.6	170.7	-61.2	0	0	0	0	111.3	D576 S581 R582 T583	D576-S579 CarbonylContact O-C 3.4Å; D576-S579 WeakPolarHBondContact O-CA 3.32Å; D576-S579 WeakPolarHBondContact O-CB 3.45Å; D576-S579 PolarHBondContact O-N 3.21Å; S579-S581 VanDerWaalsContact C-N 3.26Å; S579-S581 PolarHBondContact O-N 3.09Å; S579-R582 CarbonylContact O-C 3.6Å; S579-R582 WeakPolarHBondContact O-CA 3.32Å; S579-R582 PolarHBondContact O-N 3.11Å; S579-T583 PolarHBondContact O-N 3.4Å; S579-T583 PolarHBondContact O-OG1 3.47Å
580	A	62.3	Low	58.2	Low	8 Å²	8	91.4 Å²	91.4	7%	0.066	51%	0.506	C	S	.	.	H	α-helix	trans	-63.8	-29.2	177.4	0	0	0	0	0	113.2	L575 D576 R582 T583 P590	L575-A580 HydrophobicContact CB-CB 3.91Å; L575-A580 HydrophobicContact CD1-CB 4.25Å; D576-A580 PolarHBondContact O-N 3.44Å; A580-R582 VanDerWaalsContact C-N 3.31Å; A580-T583 WeakPolarHBondContact CA-OG1 3.31Å; A580-T583 PolarHBondContact O-OG1 2.87Å; A580-P590 HydrophobicContact CB-CB 3.71Å; A580-P590 HydrophobicContact CB-CG 3.87Å
581	S	62.1	Low	58.3	Low	84 Å²	84	82.7 Å²	82.7	59%	0.587	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	2.5	171.4	53.1	0	0	0	0	114.3	P577 V578 S579	P577-S581 WeakPolarHBondContact O-CB 3.31Å; P577-S581 PolarHBondContact O-N 2.96Å; P577-S581 VanDerWaalsContact O-N 3.14Å; P577-S581 PolarHBondContact O-OG 2.99Å; V578-S581 WeakPolarHBondContact CA-OG 3.49Å; V578-S581 PolarHBondContact O-OG 3.3Å; S579-S581 VanDerWaalsContact C-N 3.26Å; S579-S581 PolarHBondContact O-N 3.09Å
582	R	57.7	Low	58.6	Low	198 Å²	198	86.1 Å²	86.1	75%	0.747	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.1	-20.2	173.8	-78.4	178.7	169.4	-139.1	-3.4	113.7	V578 S579 A580 P584	V578-R582 WeakPolarHBondContact O-CD 3.47Å; V578-R582 VanDerWaalsContact O-CG 3.27Å; V578-R582 WeakPolarHBondContact O-CG 3.37Å; S579-R582 CarbonylContact O-C 3.6Å; S579-R582 WeakPolarHBondContact O-CA 3.32Å; S579-R582 PolarHBondContact O-N 3.11Å; A580-R582 VanDerWaalsContact C-N 3.31Å; R582-P584 WeakPolarHBondContact O-CD 3.44Å
583	T	56.1	Low	58.7	Low	64 Å²	64	83.8 Å²	83.8	39%	0.393	47%	0.472	S	S	.	.			trans	-64.3	119.2	168.3	36	0	0	0	0	109.6	S579 A580 N585	S579-T583 PolarHBondContact O-N 3.4Å; S579-T583 PolarHBondContact O-OG1 3.47Å; A580-T583 WeakPolarHBondContact CA-OG1 3.31Å; A580-T583 PolarHBondContact O-OG1 2.87Å; T583-N585 PolarHBondContact O-N 3.08Å
584	P	48.9	Very low	58.8	Low	136 Å²	136	82.5 Å²	82.5	88%	0.883	47%	0.466	S	S	*	.			trans	-75.8	-3.5	-177.5	31.9	-36.7	0	0	0	113.4	R582 A586	R582-P584 WeakPolarHBondContact O-CD 3.44Å; P584-A586 PolarHBondContact O-N 3.04Å
585	N	55.2	Low	58.9	Low	94 Å²	94	81.5 Å²	81.5	50%	0.503	46%	0.462	S	S	.	.			trans	-83.5	108.4	179.3	-176.7	11.9	0	0	0	110.8	T583 S587	T583-N585 PolarHBondContact O-N 3.08Å; N585-S587 PolarHBondContact ND2-OG 2.88Å; N585-S587 PolarHBondContact O-N 2.67Å; N585-S587 VanDerWaalsContact O-N 3.16Å; N585-S587 WeakPolarHBondContact OD1-CB 3.26Å; N585-S587 PolarHBondContact OD1-N 3.13Å; N585-S587 VanDerWaalsContact OD1-N 3.09Å; N585-S587 PolarHBondContact OD1-OG 3.4Å
586	A	58.1	Low	59.1	Low	105 Å²	105	82.3 Å²	82.3	87%	0.868	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-3.6	178.7	0	0	0	0	0	114.6	P584 V588	P584-A586 PolarHBondContact O-N 3.04Å; A586-V588 VanDerWaalsContact C-N 3.25Å; A586-V588 PolarHBondContact O-N 2.95Å
587	S	64.4	Low	59.1	Low	92 Å²	92	83 Å²	83	64%	0.643	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	3.5	179.9	86.5	0	0	0	0	115	N585	N585-S587 PolarHBondContact ND2-OG 2.88Å; N585-S587 PolarHBondContact O-N 2.67Å; N585-S587 VanDerWaalsContact O-N 3.16Å; N585-S587 WeakPolarHBondContact OD1-CB 3.26Å; N585-S587 PolarHBondContact OD1-N 3.13Å; N585-S587 VanDerWaalsContact OD1-N 3.09Å; N585-S587 PolarHBondContact OD1-OG 3.4Å
588	V	57.9	Low	58.9	Low	73 Å²	73	82.8 Å²	82.8	44%	0.442	47%	0.469	S	S	.	.	S	Bend	trans	-132.1	108.9	-179.6	-175.9	0	0	0	0	109.2	L575 A586	L575-V588 HydrophobicContact CD1-CG1 4.14Å; A586-V588 VanDerWaalsContact C-N 3.25Å; A586-V588 PolarHBondContact O-N 2.95Å
589	E	58.8	Low	58.9	Low	152 Å²	152	86.6 Å²	86.6	71%	0.71	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-74.7	131.9	178.2	-168.6	168.2	-152.5	0	0	111	F592	E589-F592 WeakPolarHBondContact OE1-CZ 3.11Å
590	P	56.3	Low	58.7	Low	55 Å²	55	89.5 Å²	89.5	36%	0.357	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-61.3	142.6	175.4	-24	34.2	0	0	0	112.5	A580 F592	A580-P590 HydrophobicContact CB-CB 3.71Å; A580-P590 HydrophobicContact CB-CG 3.87Å; P590-F592 PolarHBondContact O-N 3.31Å
591	S	59.3	Low	58.4	Low	49 Å²	49	90.8 Å²	90.8	34%	0.343	50%	0.495	S	S	.	.	P	Polyproline II helix	trans	-60.5	126.7	171.9	-169.1	0	0	0	0	110.9	K593	S591-K593 PolarHBondContact O-N 2.71Å; S591-K593 VanDerWaalsContact O-N 3.12Å; S591-K593 PolarHBondContact OG-N 3.47Å
592	F	63.2	Low	58.1	Low	157 Å²	157	88.2 Å²	88.2	69%	0.689	48%	0.479	S	S	*	.	S	Bend	trans	-65.4	-9.2	174.1	-66.2	-77.6	0	0	0	113.7	E589 P590	E589-F592 WeakPolarHBondContact OE1-CZ 3.11Å; P590-F592 PolarHBondContact O-N 3.31Å
593	K	60.2	Low	57.5	Low	93 Å²	93	81 Å²	81	40%	0.404	46%	0.458	S	S	.	.	S	Bend	trans	-70.4	124.1	175.2	-66.3	176.4	178	-178.8	0	109	Y536 Y574 S591 A597	Y536-K593 PolarHBondContact O-NZ 3.04Å; Y574-K593 WeakPolarHBondContact OH-CD 3.26Å; S591-K593 PolarHBondContact O-N 2.71Å; S591-K593 VanDerWaalsContact O-N 3.12Å; S591-K593 PolarHBondContact OG-N 3.47Å; K593-A597 HydrophobicContact CB-CB 4.34Å
594	P	60.8	Low	56.6	Low	90 Å²	90	83.2 Å²	83.2	58%	0.584	48%	0.483	S	S	*	.			trans	-65.6	149.9	-179.1	27.7	-34.5	0	0	0	110.6	Y596 A597	P594-Y596 PolarHBondContact O-N 3.28Å; P594-A597 HydrophobicContact CG-CB 4.11Å; P594-A597 WeakPolarHBondContact O-CB 3.44Å; P594-A597 PolarHBondContact O-N 3.2Å
595	R	58.2	Low	56.3	Low	45 Å²	45	79.7 Å²	79.7	17%	0.17	46%	0.462	C	S	.	.	G	3₁₀ helix	trans	-41.8	-43.1	-176.3	-174.8	-169.8	-94.1	-168.1	-6.6	114	D576 A597 F601	D576-R595 IonicContact OD1-CZ 3.1Å; D576-R595 IonicContact OD1-NE 3.34Å; D576-R595 PolarHBondContact OD1-NE 2.95Å; D576-R595 IonicContact OD1-NH2 3.33Å; D576-R595 PolarHBondContact OD1-NH2 3.15Å; D576-R595 IonicContact OD2-CZ 2.62Å; D576-R595 IonicContact OD2-NE 3.72Å; D576-R595 PolarHBondContact OD2-NE 3.2Å; D576-R595 IonicContact OD2-NH2 2.72Å; D576-R595 PolarHBondContact OD2-NH2 3.48Å; R595-A597 VanDerWaalsContact C-N 3.31Å; R595-A597 PolarHBondContact O-N 3.19Å; R595-F601 HydrophobicContact CG-CB 3.37Å; R595-F601 HydrophobicContact CG-CD2 4.38Å; R595-F601 HydrophobicContact CG-CG 4.21Å
596	Y	61.2	Low	55.2	Low	80 Å²	80	84.2 Å²	84.2	31%	0.314	47%	0.472	S	S	.	.	G	3₁₀ helix	trans	-82.9	6.1	-177.2	-46.2	-62.4	0	0	0	115.4	A489 P490 P594	A489-Y596 HydrophobicContact CB-CD1 3.67Å; A489-Y596 HydrophobicContact CB-CE1 3.74Å; P490-Y596 HydrophobicContact CG-CG 4.44Å; P594-Y596 PolarHBondContact O-N 3.28Å
597	A	59.9	Low	53.9	Low	39 Å²	39	87.4 Å²	87.4	32%	0.322	47%	0.468	S	S	.	.	G	3₁₀ helix	trans	-77.8	-27.4	175.9	0	0	0	0	0	112.7	K593 P594 R595	K593-A597 HydrophobicContact CB-CB 4.34Å; P594-A597 HydrophobicContact CG-CB 4.11Å; P594-A597 WeakPolarHBondContact O-CB 3.44Å; P594-A597 PolarHBondContact O-N 3.2Å; R595-A597 VanDerWaalsContact C-N 3.31Å; R595-A597 PolarHBondContact O-N 3.19Å
598	T	56.3	Low	52.2	Low	27 Å²	27	93.6 Å²	93.6	17%	0.166	48%	0.478	C	S	.	.	S	Bend	trans	-109.4	144.4	172.3	42.9	0	0	0	0	111.2	Y574 Q600 F601	Y574-T598 HydrophobicContact CD2-CG2 4.41Å; Y574-T598 HydrophobicContact CE2-CG2 3.55Å; Y574-T598 WeakPolarHBondContact OH-CG2 3.35Å; T598-Q600 PolarHBondContact O-N 2.65Å; T598-F601 PolarHBondContact O-N 3.19Å; T598-F601 WeakPolarHBondContact OG1-CD2 3.33Å; T598-F601 WeakPolarHBondContact OG1-CE2 3.15Å
599	H	57.7	Low	50.8	Low	121 Å²	121	93.9 Å²	93.9	56%	0.56	48%	0.483	S	S	*	.	G	3₁₀ helix	trans	-60.2	-28.8	175.7	62	-101.4	0	0	0	112	F601 A602	H599-F601 PolarHBondContact O-N 3.21Å; H599-A602 PolarHBondContact O-N 3.22Å
600	Q	57.5	Low	49.4	Very low	118 Å²	118	92.5 Å²	92.5	55%	0.551	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-61.1	-23.1	-176.3	-62.4	-178.2	-8.9	0	0	114.8	T598	T598-Q600 PolarHBondContact O-N 2.65Å
601	F	57.7	Low	48	Very low	35 Å²	35	95.5 Å²	95.5	15%	0.154	51%	0.513	C	S	.	.	G	3₁₀ helix	trans	-121.8	9.4	176.3	-36.2	-61.6	0	0	0	114.1	Y574 D576 R595 T598 H599 S603	Y574-F601 AromaticContact CD1-CE2 3.41Å; Y574-F601 HydrophobicContact CD1-CE2 3.41Å; Y574-F601 VanDerWaalsContact CD1-CE2 3.41Å; Y574-F601 AromaticContact CD1-CZ 3.43Å; Y574-F601 HydrophobicContact CD1-CZ 3.43Å; Y574-F601 VanDerWaalsContact CD1-CZ 3.43Å; Y574-F601 AromaticContact CE1-CE2 3.71Å; Y574-F601 HydrophobicContact CE1-CE2 3.71Å; Y574-F601 HydrophobicContact CE1-CZ 4.21Å; Y574-F601 HydrophobicContact CG-CE2 4.08Å; Y574-F601 AromaticContact CG-CZ 3.81Å; Y574-F601 HydrophobicContact CG-CZ 3.81Å; Y574-F601 WeakPolarHBondContact O-CE1 3.44Å; Y574-F601 WeakPolarHBondContact O-CZ 3.42Å; D576-F601 HydrophobicContact CB-CD1 3.91Å; D576-F601 HydrophobicContact CB-CE1 3.95Å; D576-F601 HydrophobicContact CB-CG 4.31Å; D576-F601 HydrophobicContact CB-CZ 4.38Å; R595-F601 HydrophobicContact CG-CB 3.37Å; R595-F601 HydrophobicContact CG-CD2 4.38Å; R595-F601 HydrophobicContact CG-CG 4.21Å; T598-F601 PolarHBondContact O-N 3.19Å; T598-F601 WeakPolarHBondContact OG1-CD2 3.33Å; T598-F601 WeakPolarHBondContact OG1-CE2 3.15Å; H599-F601 PolarHBondContact O-N 3.21Å; F601-S603 PolarHBondContact O-N 2.81Å
602	A	54.8	Low	46.4	Very low	30 Å²	30	99.3 Å²	99.3	25%	0.248	54%	0.536	C	S	.	.	S	Bend	trans	-71.7	107.7	169.4	0	0	0	0	0	108.3	A489 H599 A604	A489-A602 HydrophobicContact CB-CB 4.27Å; H599-A602 PolarHBondContact O-N 3.22Å; A602-A604 PolarHBondContact O-N 3.35Å
603	S	46	Very low	44.8	Very low	46 Å²	46	96.2 Å²	96.2	32%	0.322	54%	0.539	S	S	.	.			trans	-51	113.9	-176.1	-56.5	0	0	0	0	111.8	F601 S605	F601-S603 PolarHBondContact O-N 2.81Å; S603-S605 PolarHBondContact O-N 2.96Å
604	A	36	Very low	43.5	Very low	111 Å²	111	102.8 Å²	102.8	92%	0.917	56%	0.562	S	S	*	*			trans	-71.6	68.7	179.6	0	0	0	0	0	112	A602	A602-A604 PolarHBondContact O-N 3.35Å
605	S	42.2	Very low	41.9	Very low	62 Å²	62	108.7 Å²	108.7	43%	0.434	57%	0.574	S	S	.	*			trans	-101.6	117	-174.8	-164.8	0	0	0	0	110.9	S603	S603-S605 PolarHBondContact O-N 2.96Å
606	R	32.6	Very low	40.6	Very low	189 Å²	189	114.2 Å²	114.2	71%	0.713	60%	0.599	S	S	*	*			trans	72.4	48.4	171.6	-55	-175.1	170.5	-150.7	2	118.7	R608	R606-R608 PolarHBondContact O-N 3.11Å
607	H	30.2	Very low	38.9	Very low	171 Å²	171	118 Å²	118	79%	0.792	62%	0.619	S	S	*	*			trans	-81.3	97.2	147.1	-132.1	-73.4	0	0	0	108.8	S609	H607-S609 PolarHBondContact CE1-OG 2.91Å; H607-S609 PolarHBondContact ND1-OG 2.7Å; H607-S609 PolarHBondContact O-N 3.5Å; H607-S609 VanDerWaalsContact O-N 3.14Å
608	R	30.1	Very low	37.6	Very low	222 Å²	222	121.3 Å²	121.3	84%	0.838	64%	0.637	S	S	*	*			trans	-85.1	45.4	-179	-75.9	-172.5	171.2	-125.5	5.6	112.7	R606	R606-R608 PolarHBondContact O-N 3.11Å
609	S	28.9	Very low	36.3	Very low	79 Å²	79	126.8 Å²	126.8	55%	0.552	66%	0.664	S	S	*	*	S	Bend	trans	-157.2	39.3	-170.6	50.6	0	0	0	0	116.1	H607	H607-S609 PolarHBondContact CE1-OG 2.91Å; H607-S609 PolarHBondContact ND1-OG 2.7Å; H607-S609 PolarHBondContact O-N 3.5Å; H607-S609 VanDerWaalsContact O-N 3.14Å
610	S	29.3	Very low	34.7	Very low	124 Å²	124	124.5 Å²	124.5	87%	0.867	67%	0.673	S	S	*	*	S	Bend	trans	-164.9	155.5	154.6	-88	0	0	0	0	112.2
611	S	25.9	Very low	33.4	Very low	118 Å²	118	129.5 Å²	129.5	83%	0.825	69%	0.689	S	S	*	*			trans	-74.6	154.6	-168.9	-66	0	0	0	0	115
612	P	25.8	Very low	31.9	Very low	128 Å²	128	132.1 Å²	132.1	83%	0.831	71%	0.711	S	S	*	*			trans	-83.2	124.3	178.5	32.4	-34	0	0	0	113.4
613	A	29	Very low	30.6	Very low	92 Å²	92	139.5 Å²	139.5	76%	0.76	74%	0.743	S	S	*	*			trans	-121.8	111.9	158.8	0	0	0	0	0	107.5
614	R	33	Very low	29.6	Very low	231 Å²	231	144.3 Å²	144.3	87%	0.872	76%	0.76	S	S	*	*				59.8	100.7	81.7	-69.7	-166.6	-175.7	-162.4	3.4	113.5
615	Y	28.8	Very low	29.1	Very low	215 Å²	215	148.3 Å²	148.3	84%	0.843	76%	0.757	S	S	*	*			trans	29.7	119.1	131.2	-85.6	-99.3	0	0	0	119.4
616	K	29.8	Very low	28.5	Very low	161 Å²	161	151.4 Å²	151.4	70%	0.7	77%	0.768	S	S	*	*			trans	82.7	120.2	135.1	-81.8	-177.2	169	-168.9	0	121.2
617	H	25.2	Very low	28.2	Very low	159 Å²	159	150.5 Å²	150.5	74%	0.736	77%	0.771	S	S	*	*			trans	86.6	154.3	136.4	-69	-43.7	0	0	0	119.2
618	P	32	Very low	28.3	Very low	108 Å²	108	149.7 Å²	149.7	70%	0.701	77%	0.772	S	S	*	*			trans	-111.8	159.9	-145.6	40.7	-33.2	0	0	0	114.1
619	I	30	Very low	28.2	Very low	143 Å²	143	141.7 Å²	141.7	73%	0.733	76%	0.759	S	S	*	*			trans	-161.5	147.8	136.9	-98.8	146.9	0	0	0	106
620	G	24.9	Very low	28.2	Very low	72 Å²	72	144.7 Å²	144.7	74%	0.742	77%	0.769	S	S	*	*			trans	-77.6	138.1	-172.2	0	0	0	0	0	113.1
621	Y	28.8	Very low	28.2	Very low	224 Å²	224	150.6 Å²	150.6	88%	0.878	77%	0.772	S	S	*	*			trans	-108.3	127.1	152.9	-89	-88.4	0	0	0	109.2
622	S	26.2	Very low	28.4	Very low	90 Å²	90	151.4 Å²	151.4	63%	0.629	77%	0.767	S	S	*	*			trans	-59.4	136	171.1	-174.1	0	0	0	0	110.1	E624	S622-E624 PolarHBondContact O-N 3.19Å; S622-E624 PolarHBondContact OG-N 2.89Å
623	M	27.6	Very low	28.5	Very low	185 Å²	185	157.6 Å²	157.6	91%	0.911	77%	0.774	S	S	*	*			trans	-81.4	97.8	145.1	-89.6	-143.1	-64.2	0	0	106.4
624	E	26.3	Very low	28.6	Very low	146 Å²	146	159.7 Å²	159.7	68%	0.682	78%	0.777	S	S	*	*			trans	-63.1	138.8	174.4	-62.2	-174.1	130.6	0	0	110.1	S622 I626	S622-E624 PolarHBondContact O-N 3.19Å; S622-E624 PolarHBondContact OG-N 2.89Å; E624-I626 VanDerWaalsContact C-N 3.25Å; E624-I626 HydrophobicContact CB-CG1 4.37Å; E624-I626 PolarHBondContact O-N 3.12Å
625	F	24.8	Very low	28.4	Very low	195 Å²	195	157.4 Å²	157.4	86%	0.855	78%	0.781	S	S	*	*			trans	-68.1	87.1	164.2	-91.6	-104.8	0	0	0	108.7	H627	F625-H627 VanDerWaalsContact C-N 3.28Å; F625-H627 PolarHBondContact O-N 3Å
626	I	30.2	Very low	28.4	Very low	128 Å²	128	151 Å²	151	66%	0.656	78%	0.781	S	S	*	*			trans	-72.1	88.3	172.3	-59.9	-177.9	0	0	0	108.5	E624 L628	E624-I626 VanDerWaalsContact C-N 3.25Å; E624-I626 HydrophobicContact CB-CG1 4.37Å; E624-I626 PolarHBondContact O-N 3.12Å; I626-L628 HydrophobicContact CG2-CB 4.48Å; I626-L628 HydrophobicContact CG2-CD1 3.72Å; I626-L628 HydrophobicContact CG2-CG 3.84Å; I626-L628 PolarHBondContact O-N 3.32Å
627	H	25.4	Very low	28.5	Very low	169 Å²	169	154.8 Å²	154.8	78%	0.782	79%	0.791	S	S	*	*			trans	-69.2	89.1	170.4	-111.2	-75.2	0	0	0	110.3	F625	F625-H627 VanDerWaalsContact C-N 3.28Å; F625-H627 PolarHBondContact O-N 3Å
628	L	31.6	Very low	28.6	Very low	154 Å²	154	151.7 Å²	151.7	81%	0.806	79%	0.787	S	S	*	*			trans	-125.4	93.7	165.1	-70.3	174	0	0	0	107.3	I626	I626-L628 HydrophobicContact CG2-CB 4.48Å; I626-L628 HydrophobicContact CG2-CD1 3.72Å; I626-L628 HydrophobicContact CG2-CG 3.84Å; I626-L628 PolarHBondContact O-N 3.32Å
629	G	29.4	Very low	28.7	Very low	55 Å²	55	154.8 Å²	154.8	57%	0.567	79%	0.792	S	S	*	*			cis	87.2	89.7	20.4	0	0	0	0	0	109.3
630	N	27.6	Very low	28.7	Very low	142 Å²	142	153.9 Å²	153.9	76%	0.759	79%	0.794	S	S	*	*			trans	-18.6	130.3	-172.7	-61.2	-8.9	0	0	0	117.7
631	R	29.1	Very low	29.1	Very low	248 Å²	248	157 Å²	157	94%	0.936	79%	0.793	S	S	*	*			trans	-132.9	111.3	140.5	-100.4	158.3	-150.6	-134.1	-0.7	110
632	N	31	Very low	29.2	Very low	134 Å²	134	152 Å²	152	72%	0.717	79%	0.785	S	S	*	*			trans	-68.9	158.7	-175.3	-78.3	-14.9	0	0	0	112.8	T634	N632-T634 PolarHBondContact O-N 3.2Å
633	W	27.9	Very low	29.6	Very low	259 Å²	259	153.8 Å²	153.8	98%	0.981	79%	0.788	S	S	*	*			trans	-51.7	131.3	158.1	-71.5	75.4	0	0	0	110.7	L635	W633-L635 PolarHBondContact O-N 2.94Å
634	T	31	Very low	29.8	Very low	135 Å²	135	156.3 Å²	156.3	83%	0.828	79%	0.787	S	S	*	*	S	Bend	trans	-83.2	98	-175.6	49	0	0	0	0	112	N632	N632-T634 PolarHBondContact O-N 3.2Å
635	L	28.2	Very low	30.2	Very low	183 Å²	183	153 Å²	153	96%	0.958	79%	0.792	S	S	*	*			trans	-149.1	86.4	160.5	-129.4	120.8	0	0	0	110.4	W633	W633-L635 PolarHBondContact O-N 2.94Å
636	G	30	Very low	30.5	Very low	82 Å²	82	150.3 Å²	150.3	85%	0.845	79%	0.792	S	S	*	*			trans	-173.9	139.1	-177.8	0	0	0	0	0	112.2
637	R	30.6	Very low	30.7	Very low	240 Å²	240	152.6 Å²	152.6	91%	0.906	80%	0.804	S	S	*	*			trans	-87	137.3	-172	-90.3	-178.9	168.6	-170	-2.7	113.8
638	S	28.9	Very low	31	Very low	94 Å²	94	149.8 Å²	149.8	66%	0.657	80%	0.803	S	S	*	*			trans	70.8	141	134.3	-58.4	0	0	0	0	122.9
639	Q	33.6	Very low	31.4	Very low	172 Å²	172	148.9 Å²	148.9	80%	0.804	81%	0.806	S	S	*	*			trans	72	105.1	149.9	-70.5	164.8	28	0	0	117.9
640	T	29.7	Very low	31.7	Very low	125 Å²	125	149.8 Å²	149.8	77%	0.767	82%	0.816	S	S	*	*				83.3	148.4	75.5	53.1	0	0	0	0	115.1
641	L	32.6	Very low	31.8	Very low	137 Å²	137	149.3 Å²	149.3	72%	0.717	82%	0.819	S	S	*	*			cis	-162.4	132.1	11	-129.2	172.8	0	0	0	113
642	T	32.6	Very low	32.1	Very low	118 Å²	118	144.5 Å²	144.5	72%	0.724	82%	0.817	S	S	*	*			trans	59.8	171	159.5	50.9	0	0	0	0	119.4
643	N	34	Very low	32.1	Very low	128 Å²	128	144.1 Å²	144.1	68%	0.684	82%	0.819	S	S	*	*			cis	-151.3	169.8	3	-139.4	-19.5	0	0	0	115.6
644	R	32.1	Very low	32.3	Very low	239 Å²	239	138.8 Å²	138.8	90%	0.902	82%	0.815	S	S	*	*			trans	-36	160.3	177	-65	155.8	173.8	172.9	-2.8	122.2
645	G	34.4	Very low	32.4	Very low	76 Å²	76	138 Å²	138	78%	0.784	81%	0.81	S	S	*	*			trans	179.7	128	149.7	0	0	0	0	0	114.9
646	T	29.8	Very low	32.4	Very low	139 Å²	139	136.6 Å²	136.6	85%	0.853	80%	0.801	S	S	*	*			trans	-150.1	151.1	-176	49.1	0	0	0	0	112.4
647	I	35.7	Very low	32.7	Very low	175 Å²	175	139.6 Å²	139.6	90%	0.897	80%	0.797	S	S	*	*			trans	-169.5	163.6	153.3	-102.8	149.6	0	0	0	111.5
648	S	32.1	Very low	32.5	Very low	111 Å²	111	135.4 Å²	135.4	78%	0.776	79%	0.792	S	S	*	*			trans	-115.9	169.9	-164.4	-62.4	0	0	0	0	114.5
649	P	38.2	Very low	32.8	Very low	134 Å²	134	136.9 Å²	136.9	87%	0.87	80%	0.799	S	S	*	*			trans	-97.5	179.9	-167.5	39.2	-36.7	0	0	0	116
650	G	35.8	Very low	32.7	Very low	75 Å²	75	134.3 Å²	134.3	77%	0.773	80%	0.795	S	S	*	*			trans	-143	175.3	178	0	0	0	0	0	114.7
651	T	31.1	Very low	32.8	Very low	132 Å²	132	134.8 Å²	134.8	81%	0.81	79%	0.793	S	S	*	*			trans	-119.4	147.9	-157.2	-48.5	0	0	0	0	114.5
652	T	35	Very low	32.9	Very low	146 Å²	146	136.3 Å²	136.3	90%	0.896	80%	0.796	S	S	*	*			trans	-149.5	154.3	160.6	15.9	0	0	0	0	112.5
653	T	30.7	Very low	32.8	Very low	126 Å²	126	138.6 Å²	138.6	77%	0.773	80%	0.798	S	S	*	*			trans	-135.9	144	-171	48.1	0	0	0	0	112.6
654	V	32.8	Very low	32.9	Very low	148 Å²	148	141.9 Å²	141.9	90%	0.897	81%	0.809	S	S	*	*			trans	-146.6	140.9	169.3	-173	0	0	0	0	110.4
655	T	31.7	Very low	32.7	Very low	118 Å²	118	138.5 Å²	138.5	72%	0.724	80%	0.803	S	S	*	*			trans	-102.6	-179.9	177.9	38.9	0	0	0	0	111
656	M	30	Very low	32.7	Very low	153 Å²	153	143.3 Å²	143.3	75%	0.754	80%	0.804	S	S	*	*			cis	-172.5	176.9	40.4	-122.7	-29.5	172.4	0	0	112.3
657	N	34.4	Very low	32.8	Very low	145 Å²	145	143.4 Å²	143.4	78%	0.775	80%	0.795	S	S	*	*			trans	84	146.8	153.3	-64.2	-6.4	0	0	0	122.7
658	I	28.2	Very low	32.5	Very low	153 Å²	153	140.7 Å²	140.7	79%	0.785	78%	0.783	S	S	*	*			trans	-147.2	153.1	-175.5	-59.9	166.8	0	0	0	107.6
659	P	33.8	Very low	32.5	Very low	124 Å²	124	142.7 Å²	142.7	81%	0.805	79%	0.785	S	S	*	*			trans	-130.7	159.3	149.2	30.9	-14.9	0	0	0	114.8
660	T	31.7	Very low	32.1	Very low	118 Å²	118	140 Å²	140	72%	0.724	77%	0.774	S	S	*	*			trans	-127.3	-173.4	174.5	47.9	0	0	0	0	110.5
661	D	32.5	Very low	31.9	Very low	135 Å²	135	140.9 Å²	140.9	72%	0.722	77%	0.768	S	S	*	*			trans	97.3	149.5	174.3	-60.4	-35.5	0	0	0	117
662	H	34.8	Very low	31.8	Very low	170 Å²	170	143.6 Å²	143.6	79%	0.787	76%	0.764	S	S	*	*			cis	-152.2	179.7	-3.2	-128.2	31.8	0	0	0	112.1
663	H	30.4	Very low	31.7	Very low	166 Å²	166	145.5 Å²	145.5	77%	0.769	76%	0.756	S	S	*	*			trans	-76.3	159.2	177.1	-92.3	-89.6	0	0	0	114.9
664	H	35.1	Very low	31.6	Very low	196 Å²	196	145.6 Å²	145.6	91%	0.907	75%	0.751	S	S	*	*				-165.6	168.7	126.4	-101.3	-34.1	0	0	0	115.3
665	H	29.1	Very low	31.7	Very low	168 Å²	168	144.4 Å²	144.4	78%	0.778	75%	0.745	S	S	*	*			trans	-119.3	149.7	-175.9	-103.9	-55.3	0	0	0	111
666	H	34.3	Very low	31.7	Very low	177 Å²	177	145.7 Å²	145.7	82%	0.819	75%	0.747	S	S	*	*			trans	177.5	130	136.3	-95	-72.3	0	0	0	106.9
667	Q	32.1	Very low	32.2	Very low	141 Å²	141	143.9 Å²	143.9	66%	0.659	75%	0.747	S	S	*	*			cis	84.7	113.7	42.4	-83.9	-155.5	20.4	0	0	117
668	N	29.7	Very low	32.4	Very low	118 Å²	118	143.1 Å²	143.1	63%	0.631	75%	0.75	S	S	*	*			trans	92.3	141.8	139.3	-56.7	-16.5	0	0	0	122.5
669	N	30.3	Very low	32.5	Very low	154 Å²	154	141.8 Å²	141.8	82%	0.824	75%	0.749	S	S	*	*			trans	73.4	143.3	151.2	-63.3	-19.3	0	0	0	120.5
670	A	30.6	Very low	32.4	Very low	78 Å²	78	143.6 Å²	143.6	65%	0.645	75%	0.751	S	S	*	*			cis	-174.6	165.7	-17.3	0	0	0	0	0	110.4
671	S	31.3	Very low	32.3	Very low	93 Å²	93	143 Å²	143	65%	0.65	75%	0.747	S	S	*	*			trans	66.8	154.2	162.5	-63.3	0	0	0	0	117
672	R	30	Very low	32.1	Very low	189 Å²	189	145.2 Å²	145.2	71%	0.713	76%	0.758	S	S	*	*			cis	-169.1	165	-9.7	-102.2	167.8	-133	-162.6	-0.1	105.6
673	Y	32.3	Very low	31.9	Very low	185 Å²	185	140.4 Å²	140.4	73%	0.725	76%	0.755	S	S	*	*			cis	-119	-167	-1.2	-88.7	-71.9	0	0	0	108.5
674	N	29.3	Very low	32	Very low	128 Å²	128	138.6 Å²	138.6	68%	0.684	76%	0.761	S	S	*	*			cis	63.1	129.7	40.2	-126.2	9.2	0	0	0	113.9
675	T	34.3	Very low	31.7	Very low	124 Å²	124	134.5 Å²	134.5	76%	0.761	75%	0.754	S	S	*	*			cis	-134.7	166.2	24.6	50.2	0	0	0	0	116.2
676	N	31.8	Very low	31.9	Very low	144 Å²	144	134.5 Å²	134.5	77%	0.77	76%	0.758	S	S	*	*			trans	-85.5	162.2	-175.6	-59.5	-53.6	0	0	0	115.3
677	P	40	Very low	31.7	Very low	115 Å²	115	135.4 Å²	135.4	75%	0.747	76%	0.76	S	S	*	*			trans	-96.7	166.5	169.8	39	-35.1	0	0	0	113.7
678	P	39.6	Very low	31.9	Very low	130 Å²	130	134.5 Å²	134.5	84%	0.844	77%	0.766	S	S	*	*			trans	-108.3	151.3	166.7	37.1	-29.5	0	0	0	114.2
679	T	29.1	Very low	32	Very low	124 Å²	124	132.1 Å²	132.1	76%	0.761	77%	0.77	S	S	*	*			trans	-115.6	130.3	178	-61.5	0	0	0	0	110.7
680	L	31.5	Very low	32	Very low	162 Å²	162	133.4 Å²	133.4	85%	0.848	76%	0.764	S	S	*	*			trans	-155.3	115.6	155.6	-72.4	-173.5	0	0	0	107.2
681	T	30.5	Very low	32.3	Very low	105 Å²	105	136.4 Å²	136.4	64%	0.644	77%	0.774	S	S	*	*				78.4	115.4	64.1	61.9	0	0	0	0	116.2
682	L	28.4	Very low	32.3	Very low	182 Å²	182	135.7 Å²	135.7	95%	0.953	78%	0.782	S	S	*	*			trans	56.3	131.1	160.1	-97.9	67.4	0	0	0	120.1
683	G	30.5	Very low	32.4	Very low	70 Å²	70	130.7 Å²	130.7	72%	0.722	79%	0.789	S	S	*	*			trans	160.8	87.9	165.7	0	0	0	0	0	115.8
684	S	32.2	Very low	32.4	Very low	127 Å²	127	130.6 Å²	130.6	89%	0.888	80%	0.796	S	S	*	*			trans	44.8	142.6	147.6	-58.5	0	0	0	0	123.6
685	S	28.4	Very low	32.5	Very low	111 Å²	111	132.8 Å²	132.8	78%	0.776	81%	0.806	S	S	*	*			trans	-29.1	137.2	166.4	-52.9	0	0	0	0	118.4
686	I	33.6	Very low	32.4	Very low	167 Å²	167	131.6 Å²	131.6	86%	0.856	80%	0.803	S	S	*	*				-177.4	146.8	123.2	-93.2	152.6	0	0	0	110.7
687	K	31	Very low	32.5	Very low	197 Å²	197	130 Å²	130	86%	0.857	80%	0.802	S	S	*	*			trans	-110.9	144.5	163.9	-80.7	-178.2	179	176.4	0	106.7
688	P	35.5	Very low	32.2	Very low	122 Å²	122	131.2 Å²	131.2	79%	0.792	80%	0.802	S	S	*	*				-157.4	169.5	66.7	41.3	-21	0	0	0	119
689	G	30.8	Very low	32.1	Very low	68 Å²	68	130.8 Å²	130.8	70%	0.701	79%	0.793	S	S	*	*			trans	73.6	-177.5	156.5	0	0	0	0	0	117.1
690	Y	31.4	Very low	32.4	Very low	181 Å²	181	132 Å²	132	71%	0.71	79%	0.79	S	S	*	*			cis	-164	162.9	-37.2	-139.2	-83.6	0	0	0	108.3	K883	Y690-K883 VanDerWaalsContact OH-CE 3.26Å; Y690-K883 WeakPolarHBondContact OH-CE 3.17Å; Y690-K883 PolarHBondContact OH-NZ 3.17Å
691	T	36.5	Very low	32.4	Very low	140 Å²	140	131.8 Å²	131.8	86%	0.859	79%	0.789	S	S	*	*			trans	67.9	162	179.3	82.5	0	0	0	0	114.5
692	G	31	Very low	32.5	Very low	79 Å²	79	136.4 Å²	136.4	81%	0.814	80%	0.8	S	S	*	*			cis	169	138.7	-11.6	0	0	0	0	0	111.6
693	G	31.9	Very low	32.7	Very low	84 Å²	84	132.4 Å²	132.4	87%	0.866	79%	0.787	S	S	*	*			trans	-167.8	130.6	177.3	0	0	0	0	0	111.8
694	Q	34.1	Very low	33	Very low	183 Å²	183	138.5 Å²	138.5	86%	0.855	79%	0.794	S	S	*	*			trans	-121.6	157.8	-177.4	-68	-178.1	-38.1	0	0	111.1
695	L	30.7	Very low	33	Very low	173 Å²	173	137.6 Å²	137.6	91%	0.906	78%	0.783	S	S	*	*			trans	173.2	112.3	154	-96.4	158.4	0	0	0	106
696	S	32.2	Very low	33.3	Very low	100 Å²	100	140.2 Å²	140.2	70%	0.699	79%	0.788	S	S	*	*			cis	95.1	78.8	10.4	-153.1	0	0	0	0	117.6
697	C	33.4	Very low	33.2	Very low	111 Å²	111	137.4 Å²	137.4	75%	0.75	78%	0.783	S	S	*	*			trans	-166.3	120.9	148.9	49	0	0	0	0	107.7
698	N	34.1	Very low	33	Very low	139 Å²	139	135.4 Å²	135.4	74%	0.743	78%	0.778	S	S	*	*				73.3	138.1	79.7	-66.1	-12.9	0	0	0	113
699	N	36.3	Very low	32.8	Very low	121 Å²	121	137.4 Å²	137.4	65%	0.647	78%	0.782	S	S	*	*			cis	-157.9	159.8	12	-135.7	-13.1	0	0	0	116.2
700	Q	35.4	Very low	32.6	Very low	149 Å²	149	144.4 Å²	144.4	70%	0.696	79%	0.789	S	S	*	*			trans	60.1	124.2	151.6	-76.4	174	67	0	0	123.6
701	L	31.7	Very low	32.6	Very low	159 Å²	159	141.7 Å²	141.7	83%	0.832	80%	0.797	S	S	*	*			trans	-85	163.1	153.3	-62.4	75.7	0	0	0	110.5
702	K	34.2	Very low	32.2	Very low	202 Å²	202	141.2 Å²	141.2	88%	0.878	79%	0.794	S	S	*	*			trans	-132.5	150.3	142.2	-83	-174.2	177.9	170.8	0	110.7
703	S	32.8	Very low	32	Very low	97 Å²	97	142.2 Å²	142.2	68%	0.678	79%	0.788	S	S	*	*			trans	-138.1	161.2	-165.4	53.7	0	0	0	0	112.7
704	K	35.8	Very low	32	Very low	198 Å²	198	143.2 Å²	143.2	86%	0.861	78%	0.782	S	S	*	*			trans	-170.9	105.8	161	-99.3	161.7	-176.3	-175.4	0	106
705	T	32.9	Very low	31.7	Very low	109 Å²	109	143 Å²	143	67%	0.669	79%	0.786	S	S	*	*			cis	78.4	142	44.1	72.9	0	0	0	0	115.3
706	L	33.5	Very low	31.6	Very low	166 Å²	166	140.7 Å²	140.7	87%	0.869	78%	0.784	S	S	*	*			trans	82.5	136.3	-177.4	-52.4	171.3	0	0	0	115.3
707	S	31.7	Very low	31.6	Very low	108 Å²	108	142.6 Å²	142.6	76%	0.755	79%	0.791	S	S	*	*			cis	-161.2	164.9	-21.6	43.2	0	0	0	0	110.2
708	M	26.5	Very low	31.5	Very low	155 Å²	155	141 Å²	141	76%	0.764	79%	0.793	S	S	*	*			trans	-70.5	155.4	-179.5	-63.6	-67.5	-173.3	0	0	113.3
709	N	31.8	Very low	31.4	Very low	163 Å²	163	142.3 Å²	142.3	87%	0.872	80%	0.8	S	S	*	*				-171.7	144.5	109.1	-89.6	-16.3	0	0	0	112.9
710	Y	26.7	Very low	31.2	Very low	215 Å²	215	140.3 Å²	140.3	84%	0.843	81%	0.808	S	S	*	*			trans	-96.2	145.2	170.2	-80.1	-102.4	0	0	0	110.6
711	S	31.1	Very low	31	Very low	125 Å²	125	137 Å²	137	87%	0.874	81%	0.814	S	S	*	*			trans	-167.9	165.4	142.7	-96.1	0	0	0	0	110.6
712	T	27.9	Very low	31.1	Very low	129 Å²	129	137.4 Å²	137.4	79%	0.791	82%	0.815	S	S	*	*			trans	-106.8	174.3	-166.8	54.1	0	0	0	0	113.9
713	S	27.9	Very low	31	Very low	101 Å²	101	136.6 Å²	136.6	71%	0.706	81%	0.807	S	S	*	*			trans	103.4	146.9	147.5	-51.5	0	0	0	0	119.5
714	S	32.1	Very low	31.2	Very low	104 Å²	104	141.2 Å²	141.2	73%	0.727	82%	0.817	S	S	*	*			trans	60.1	97.2	153.1	42	0	0	0	0	121
715	L	26.2	Very low	31.1	Very low	179 Å²	179	138 Å²	138	94%	0.937	81%	0.805	S	S	*	*				23	120.2	121.3	-61.9	169.9	0	0	0	119.1
716	S	30.6	Very low	31.2	Very low	125 Å²	125	138 Å²	138	87%	0.874	81%	0.81	S	S	*	*			trans	-163.8	165.1	130.7	46.2	0	0	0	0	110.9
717	V	30.7	Very low	31.2	Very low	140 Å²	140	135.3 Å²	135.3	85%	0.848	80%	0.801	S	S	*	*			trans	-108.6	132.2	-176.2	174.1	0	0	0	0	110
718	G	32.7	Very low	31.1	Very low	76 Å²	76	137.3 Å²	137.3	78%	0.784	80%	0.803	S	S	*	*			trans	-141.7	117.4	170.5	0	0	0	0	0	110.8
719	N	31.1	Very low	31.3	Very low	168 Å²	168	141.1 Å²	141.1	90%	0.898	81%	0.809	S	S	*	*			trans	-93	132.9	177.1	-91.9	-25.8	0	0	0	110.8
720	G	32.9	Very low	31.1	Very low	79 Å²	79	140.7 Å²	140.7	81%	0.814	81%	0.805	S	S	*	*			trans	161.1	128.3	168.4	0	0	0	0	0	111.9
721	G	30.4	Very low	31.5	Very low	79 Å²	79	136.1 Å²	136.1	81%	0.814	80%	0.804	S	S	*	*			cis	152.8	38	-2.1	0	0	0	0	0	114.9
722	I	32.9	Very low	31.3	Very low	167 Å²	167	134.8 Å²	134.8	86%	0.856	80%	0.795	S	S	*	*			trans	-111.4	120.4	-176.5	-60.7	-178.9	0	0	0	110.8
723	R	32.9	Very low	31.6	Very low	186 Å²	186	136 Å²	136	70%	0.702	80%	0.797	S	S	*	*			trans	-79	145.5	169.5	-65.3	156.8	117.9	-128.6	4.9	109.6
724	Q	37.9	Very low	31.9	Very low	193 Å²	193	139.8 Å²	139.8	90%	0.902	80%	0.8	S	S	*	*			trans	-131	151.1	133	-69.7	-164	-1.4	0	0	108.7
725	Q	32	Very low	31.8	Very low	130 Å²	130	139.6 Å²	139.6	61%	0.607	80%	0.799	S	S	*	*			trans	-138.7	125.8	-172.1	-60.1	-174.9	-77.9	0	0	111.6
726	S	36.3	Very low	32.2	Very low	111 Å²	111	141.4 Å²	141.4	78%	0.776	80%	0.8	S	S	*	*			trans	-168	97.7	156.9	37.6	0	0	0	0	107.5
727	T	32.1	Very low	32.2	Very low	109 Å²	109	139 Å²	139	67%	0.669	79%	0.794	S	S	*	*				71	132.5	64.2	71.6	0	0	0	0	115
728	N	30.4	Very low	32.2	Very low	149 Å²	149	138.9 Å²	138.9	80%	0.797	79%	0.793	S	S	*	*			trans	73.9	150.5	173.3	-50	-46.3	0	0	0	115.8
729	R	30.7	Very low	32.1	Very low	236 Å²	236	140.9 Å²	140.9	89%	0.891	79%	0.79	S	S	*	*			cis	-138.6	150.4	10.7	-159.8	174.7	-88.6	-170.6	-5.6	111.8
730	I	28	Very low	32.3	Very low	154 Å²	154	141.2 Å²	141.2	79%	0.79	79%	0.791	S	S	*	*			trans	-78	144.1	173.7	-63.1	162	0	0	0	109.5
731	S	34.1	Very low	32.2	Very low	119 Å²	119	144.7 Å²	144.7	83%	0.832	79%	0.791	S	S	*	*			trans	-153.9	132.3	152.8	-156	0	0	0	0	111.3
732	S	28.5	Very low	32.4	Very low	97 Å²	97	144 Å²	144	68%	0.678	78%	0.784	S	S	*	*			trans	-135.8	117.3	-177.1	57.7	0	0	0	0	110.5
733	N	34	Very low	32.5	Very low	155 Å²	155	147 Å²	147	83%	0.829	79%	0.787	S	S	*	*			trans	-158.6	161.3	166.1	-85.6	-46.9	0	0	0	109.4
734	K	33.3	Very low	32.6	Very low	179 Å²	179	142.5 Å²	142.5	78%	0.778	78%	0.784	S	S	*	*			cis	177.5	121.7	-43.6	-158.1	177	-177.6	-179.7	0	104.9
735	S	30.9	Very low	32.5	Very low	101 Å²	101	140.7 Å²	140.7	71%	0.706	78%	0.775	S	S	*	*			trans	49.5	119.8	155.5	59.5	0	0	0	0	122.1
736	K	34.2	Very low	32.6	Very low	217 Å²	217	141.2 Å²	141.2	94%	0.943	78%	0.781	S	S	*	*				-178.3	138.3	130	-96.9	160.4	-175.1	-176.7	0	108.6
737	G	29.5	Very low	32.3	Very low	73 Å²	73	140 Å²	140	75%	0.753	77%	0.772	S	S	*	*			cis	137	65.6	-11.6	0	0	0	0	0	114.8
738	V	32.2	Very low	32.5	Very low	138 Å²	138	143 Å²	143	84%	0.836	78%	0.778	S	S	*	*			trans	-140.3	136.7	171.9	-178.8	0	0	0	0	110
739	T	29.5	Very low	32.6	Very low	118 Å²	118	143.3 Å²	143.3	72%	0.724	78%	0.775	S	S	*	*			trans	-146.5	141.2	176.5	49.3	0	0	0	0	109.9
740	L	35.5	Very low	32.8	Very low	176 Å²	176	139.8 Å²	139.8	92%	0.921	77%	0.773	S	S	*	*			trans	-130.7	151.4	166.6	-84.9	170.8	0	0	0	110.2
741	N	32	Very low	33	Very low	152 Å²	152	139 Å²	139	81%	0.813	77%	0.77	S	S	*	*			trans	-123.4	159.3	-157.4	-61.1	-38.8	0	0	0	113.1
742	G	34	Very low	33.3	Very low	65 Å²	65	140.3 Å²	140.3	67%	0.67	77%	0.773	S	S	*	*			trans	151.1	130.8	166.3	0	0	0	0	0	111.7
743	Y	34.7	Very low	33.6	Very low	230 Å²	230	143.4 Å²	143.4	90%	0.902	78%	0.782	S	S	*	*			cis	-143	173.7	-2.3	-117.9	-94.9	0	0	0	111.1
744	S	35	Very low	33.6	Very low	91 Å²	91	139.6 Å²	139.6	64%	0.636	78%	0.78	S	S	*	*			trans	-65	173.1	-175.5	56.4	0	0	0	0	115
745	H	35.6	Very low	33.7	Very low	155 Å²	155	137.4 Å²	137.4	72%	0.718	78%	0.781	S	S	*	*				-174.3	150.6	51.4	-156.4	-137.7	0	0	0	113.9
746	L	33.5	Very low	34	Very low	140 Å²	140	141.6 Å²	141.6	73%	0.733	79%	0.787	S	S	*	*			trans	68.9	148.8	165.4	-59.7	162.1	0	0	0	120.2
747	S	31.5	Very low	33.9	Very low	86 Å²	86	138.8 Å²	138.8	60%	0.601	78%	0.781	S	S	*	*			cis	-175	159.7	-39.5	-106.4	0	0	0	0	111.8
748	H	34.7	Very low	34.2	Very low	171 Å²	171	143.5 Å²	143.5	79%	0.792	79%	0.789	S	S	*	*			trans	68.8	118.6	177.3	-52.7	-75.4	0	0	0	115.9
749	Q	34.5	Very low	34	Very low	156 Å²	156	144.5 Å²	144.5	73%	0.729	79%	0.789	S	S	*	*			cis	80.5	120.8	28.5	-149.3	169.8	26.5	0	0	112.2
750	L	34.8	Very low	34.3	Very low	162 Å²	162	142.7 Å²	142.7	85%	0.848	79%	0.794	S	S	*	*				-153.4	164	69.5	-78.8	155.4	0	0	0	114.8
751	D	31.8	Very low	34.1	Very low	137 Å²	137	141.5 Å²	141.5	73%	0.733	79%	0.788	S	S	*	*			trans	-100.7	156.7	-179.9	-50.5	-89.5	0	0	0	115.1
752	V	40.8	Very low	34.2	Very low	148 Å²	148	142.5 Å²	142.5	90%	0.897	79%	0.793	S	S	*	*			trans	-147.3	146.3	146.4	-163.1	0	0	0	0	110.7
753	N	32.9	Very low	34.1	Very low	161 Å²	161	147.9 Å²	147.9	86%	0.861	80%	0.801	S	S	*	*			trans	-101.4	162.6	-175.3	-70	-78.2	0	0	0	114.4
754	G	35.3	Very low	34	Very low	76 Å²	76	144.5 Å²	144.5	78%	0.784	80%	0.797	S	S	*	*			trans	-178.2	118.7	164.8	0	0	0	0	0	115.3
755	T	34.9	Very low	34	Very low	132 Å²	132	145 Å²	145	81%	0.81	80%	0.801	S	S	*	*			trans	-135	145.6	-179.2	56.6	0	0	0	0	113.4
756	K	37.3	Very low	33.8	Very low	189 Å²	189	145.7 Å²	145.7	82%	0.822	80%	0.802	S	S	*	*			trans	160.5	122.3	150.3	-88.4	153	-172.1	177.9	0	108.8
757	L	31.3	Very low	34	Very low	158 Å²	158	144.4 Å²	144.4	83%	0.827	81%	0.805	S	S	*	*				69.2	111.9	72.7	-71.4	179.2	0	0	0	114.9
758	L	36.5	Very low	34	Very low	173 Å²	173	145.6 Å²	145.6	91%	0.906	80%	0.804	S	S	*	*				-168.8	164.2	125.9	-105.9	165.2	0	0	0	112.2
759	N	29	Very low	33.8	Very low	158 Å²	158	144.9 Å²	144.9	85%	0.845	81%	0.806	S	S	*	*			trans	-110.3	158.9	-172.7	-71.1	-44.4	0	0	0	112.5
760	G	35.5	Very low	33.7	Very low	80 Å²	80	143.8 Å²	143.8	83%	0.825	81%	0.81	S	S	*	*			trans	-153.8	111.8	166.6	0	0	0	0	0	111.5
761	N	31	Very low	33.5	Very low	151 Å²	151	144.8 Å²	144.8	81%	0.807	81%	0.811	S	S	*	*			trans	-97.8	152.8	176.1	-81.1	-39.4	0	0	0	110.9
762	L	34.7	Very low	33.5	Very low	174 Å²	174	143.9 Å²	143.9	91%	0.911	82%	0.815	S	S	*	*			trans	-150.2	144.1	146.1	-138.4	73.4	0	0	0	110.3
763	Q	30.6	Very low	32.8	Very low	178 Å²	178	144.4 Å²	144.4	83%	0.832	81%	0.813	S	S	*	*			trans	-133	143	176.4	-62.7	-175.3	13.4	0	0	110.3
764	L	33.1	Very low	32.8	Very low	158 Å²	158	143.8 Å²	143.8	83%	0.827	82%	0.815	S	S	*	*			trans	-157.8	113.1	151.6	-98	112.9	0	0	0	104.4
765	S	34.7	Very low	32.6	Very low	102 Å²	102	144.5 Å²	144.5	71%	0.713	81%	0.808	S	S	*	*				69.6	144.2	70	71.8	0	0	0	0	115.4
766	K	32.2	Very low	32.3	Very low	169 Å²	169	145.1 Å²	145.1	74%	0.735	81%	0.807	S	S	*	*			cis	174	116.3	-47.5	-158.2	-176.9	177.2	-78.4	0	107.1	D768	K766-D768 IonicContact NZ-OD1 2.81Å; K766-D768 IonicContact NZ-OD2 2.88Å; K766-D768 PolarHBondContact NZ-OD2 2.82Å
767	S	37.4	Very low	32.1	Very low	114 Å²	114	141.5 Å²	141.5	80%	0.797	81%	0.805	S	S	*	*			trans	-178.3	133.6	154	41.3	0	0	0	0	107
768	D	32.2	Very low	31.9	Very low	111 Å²	111	140.1 Å²	140.1	59%	0.594	80%	0.803	S	S	*	*			cis	95.3	117.7	22.5	-61.3	-36	0	0	0	114.4	K766	K766-D768 IonicContact NZ-OD1 2.81Å; K766-D768 IonicContact NZ-OD2 2.88Å; K766-D768 PolarHBondContact NZ-OD2 2.82Å
769	N	29.7	Very low	31.7	Very low	155 Å²	155	143.1 Å²	143.1	83%	0.829	80%	0.802	S	S	*	*			trans	72.5	153.2	169.8	-56.4	-25.9	0	0	0	117.8
770	T	33.1	Very low	31.6	Very low	133 Å²	133	142.4 Å²	142.4	82%	0.816	80%	0.797	S	S	*	*			cis	-145.3	178.8	7.7	-21.4	0	0	0	0	112.7
771	Q	29.5	Very low	31.4	Very low	183 Å²	183	148.9 Å²	148.9	86%	0.855	80%	0.798	S	S	*	*			trans	-85.6	154.5	-178.4	-54.4	155.9	-28.6	0	0	113.7
772	S	31.1	Very low	31.4	Very low	118 Å²	118	146.6 Å²	146.6	83%	0.825	79%	0.794	S	S	*	*				-171.6	162.6	126	58.5	0	0	0	0	111.8
773	N	26.9	Very low	31.5	Very low	159 Å²	159	144.2 Å²	144.2	85%	0.85	79%	0.788	S	S	*	*			trans	-98.2	149.9	-179.4	-42.4	-57.8	0	0	0	111.6
774	T	33.6	Very low	31.5	Very low	149 Å²	149	142.1 Å²	142.1	91%	0.914	79%	0.788	S	S	*	*			trans	-154.1	161.6	134.8	23.9	0	0	0	0	109.8
775	S	29.7	Very low	31.6	Very low	90 Å²	90	138.5 Å²	138.5	63%	0.629	78%	0.776	S	S	*	*			trans	-101.1	175.4	-177.3	54.5	0	0	0	0	112.7
776	D	30	Very low	31.7	Very low	146 Å²	146	139.3 Å²	139.3	78%	0.781	77%	0.773	S	S	*	*			trans	68.5	132.9	162.5	-48.3	-58.9	0	0	0	116.3
777	S	31.9	Very low	32	Very low	113 Å²	113	137.1 Å²	137.1	79%	0.79	76%	0.764	S	S	*	*			cis	-159.4	160.3	29.9	44.6	0	0	0	0	114
778	V	28.4	Very low	32	Very low	128 Å²	128	140.8 Å²	140.8	78%	0.776	76%	0.761	S	S	*	*			trans	-53.1	138.4	178.8	173.4	0	0	0	0	114.8
779	R	31	Very low	32.1	Very low	236 Å²	236	141.5 Å²	141.5	89%	0.891	77%	0.765	S	S	*	*			trans	-160.2	118.9	133	-107.2	161.2	-160.4	-173.1	5.7	112.1
780	I	27.2	Very low	32.4	Very low	144 Å²	144	141.7 Å²	141.7	74%	0.738	77%	0.765	S	S	*	*			trans	-97.5	138.2	169.3	-64.6	173.3	0	0	0	108
781	Y	30.9	Very low	32.5	Very low	216 Å²	216	139.4 Å²	139.4	85%	0.847	75%	0.754	S	S	*	*			trans	-134	131.7	158.3	-102.9	-86.6	0	0	0	109.3
782	S	31.5	Very low	32.8	Very low	102 Å²	102	137.4 Å²	137.4	71%	0.713	75%	0.747	S	S	*	*			trans	-134.3	136	168.8	-57	0	0	0	0	108.1
783	P	36.3	Very low	33.2	Very low	124 Å²	124	138.8 Å²	138.8	81%	0.805	74%	0.74	S	S	*	*			trans	-111.9	169.1	160.7	-0.6	22.5	0	0	0	113.1
784	T	31.9	Very low	33.6	Very low	134 Å²	134	136.8 Å²	136.8	82%	0.822	73%	0.734	S	S	*	*			trans	-87.8	-165.8	175.6	56.1	0	0	0	0	110.4
785	S	34.5	Very low	33.8	Very low	82 Å²	82	134 Å²	134	57%	0.573	73%	0.726	S	S	*	*			cis	-164.9	-171.7	18	31.6	0	0	0	0	111.5
786	D	35.8	Very low	34.1	Very low	120 Å²	120	135 Å²	135	64%	0.642	73%	0.733	S	S	*	*			trans	85.2	145.9	149.3	-59	-42.7	0	0	0	119.4
787	H	39.3	Very low	34.5	Very low	122 Å²	122	133.9 Å²	133.9	57%	0.565	73%	0.731	S	S	*	*			cis	-163.6	149.5	1.9	-123.2	9.4	0	0	0	113
788	R	37.6	Very low	34.6	Very low	192 Å²	192	134.5 Å²	134.5	73%	0.725	73%	0.725	S	S	*	*			trans	65.7	156	143.3	-64.9	-179.8	-162.9	-162	9.3	119.7
789	N	34.1	Very low	35	Very low	126 Å²	126	135.8 Å²	135.8	67%	0.674	72%	0.722	S	S	*	*			cis	-167.4	166.5	-10.8	-113.2	2.5	0	0	0	114.6
790	L	36.2	Very low	34.9	Very low	159 Å²	159	129 Å²	129	83%	0.832	70%	0.701	S	S	*	*			trans	69.2	155.8	154.5	-63.3	146.7	0	0	0	120.9
791	S	34.5	Very low	35.4	Very low	85 Å²	85	128 Å²	128	59%	0.594	70%	0.701	S	S	*	*			cis	-173.4	172.2	-40.5	-156.1	0	0	0	0	112.5
792	M	37.2	Very low	35.5	Very low	140 Å²	140	124 Å²	124	69%	0.69	69%	0.688	S	S	*	*			trans	70.9	145.2	166.8	-36.7	-50.8	-106	0	0	116.8
793	H	38.9	Very low	35.8	Very low	148 Å²	148	126.5 Å²	126.5	69%	0.685	69%	0.688	S	S	*	*			cis	-175.8	163	-15.7	-102.5	-2	0	0	0	106.6
794	T	36.2	Very low	35.6	Very low	117 Å²	117	125.5 Å²	125.5	72%	0.718	68%	0.684	S	S	*	*			cis	-159.7	168.8	-2.1	6.8	0	0	0	0	110.1
795	A	35.9	Very low	35.5	Very low	91 Å²	91	124.6 Å²	124.6	75%	0.752	68%	0.683	S	S	*	*			trans	28.4	131	146.5	0	0	0	0	0	120.8
796	S	37.6	Very low	35.5	Very low	111 Å²	111	126.9 Å²	126.9	78%	0.776	69%	0.694	S	S	*	*				-169.5	166.6	51.1	-79.5	0	0	0	0	110.6
797	T	37.5	Very low	35.3	Very low	122 Å²	122	126.8 Å²	126.8	75%	0.748	70%	0.697	S	S	*	*			cis	-165.5	172.6	-12.7	-91.5	0	0	0	0	110.3
798	L	33.2	Very low	35	Very low	126 Å²	126	126.5 Å²	126.5	66%	0.66	70%	0.704	S	S	*	*			trans	-40.5	166.2	175	-54.3	170.9	0	0	0	118.8
799	H	37.4	Very low	34.7	Very low	155 Å²	155	122 Å²	122	72%	0.718	70%	0.703	S	S	*	*			cis	-128.5	162.6	12.7	-102.9	-94.9	0	0	0	111.5
800	E	30.3	Very low	34.7	Very low	94 Å²	94	123.7 Å²	123.7	44%	0.439	71%	0.71	S	S	.	*			cis	92.1	88.2	6.8	-150	-106.1	-139.4	0	0	118.7	K802	E800-K802 WeakPolarHBondContact OE1-CE 3.42Å; E800-K802 IonicContact OE1-NZ 2.79Å; E800-K802 PolarHBondContact OE1-NZ 3.23Å; E800-K802 WeakPolarHBondContact OE2-CE 3.37Å; E800-K802 IonicContact OE2-NZ 3.63Å; E800-K802 PolarHBondContact OE2-NZ 2.92Å
801	V	37	Very low	34.5	Very low	123 Å²	123	122.8 Å²	122.8	75%	0.745	71%	0.705	S	S	*	*			trans	-152.5	108.1	142.9	-174.5	0	0	0	0	104.8
802	K	31.9	Very low	34.3	Very low	132 Å²	132	126 Å²	126	57%	0.574	72%	0.716	S	S	*	*				65.8	141.5	76.8	-59.5	168	173.9	144.7	0	112.6	E800	E800-K802 WeakPolarHBondContact OE1-CE 3.42Å; E800-K802 IonicContact OE1-NZ 2.79Å; E800-K802 PolarHBondContact OE1-NZ 3.23Å; E800-K802 WeakPolarHBondContact OE2-CE 3.37Å; E800-K802 IonicContact OE2-NZ 3.63Å; E800-K802 PolarHBondContact OE2-NZ 2.92Å
803	H	37.6	Very low	34	Very low	154 Å²	154	123 Å²	123	71%	0.713	72%	0.72	S	S	*	*			cis	-145.9	160.6	26.8	-70.3	-101.7	0	0	0	115.4
804	S	33	Very low	33.7	Very low	102 Å²	102	124.8 Å²	124.8	71%	0.713	73%	0.729	S	S	*	*			trans	56.2	114.5	142.5	59.8	0	0	0	0	121.6
805	S	30.7	Very low	33.4	Very low	115 Å²	115	124.3 Å²	124.3	80%	0.804	73%	0.73	S	S	*	*				91.6	143.8	86.1	-56.3	0	0	0	0	112.3
806	T	33.2	Very low	33.2	Very low	130 Å²	130	125.1 Å²	125.1	80%	0.798	73%	0.73	S	S	*	*			cis	-147.6	163	31.2	-59.7	0	0	0	0	112.9
807	T	31.2	Very low	32.9	Very low	118 Å²	118	128.4 Å²	128.4	72%	0.724	73%	0.733	S	S	*	*			trans	-54.3	157.2	176.4	49.5	0	0	0	0	115.3
808	T	34.3	Very low	32.4	Very low	116 Å²	116	132.8 Å²	132.8	71%	0.712	74%	0.738	S	S	*	*				-161.4	133.5	59.6	35.2	0	0	0	0	111.1
809	S	30.8	Very low	32.2	Very low	98 Å²	98	133.9 Å²	133.9	69%	0.685	74%	0.743	S	S	*	*				43.4	133	93.6	65.5	0	0	0	0	115.6
810	I	33	Very low	32	Very low	162 Å²	162	133.1 Å²	133.1	83%	0.831	74%	0.74	S	S	*	*			cis	-142.6	177.8	45.7	-73.7	172.9	0	0	0	112.3
811	L	32.1	Very low	32	Very low	139 Å²	139	135.2 Å²	135.2	73%	0.728	75%	0.75	S	S	*	*			trans	-108.9	159.3	-159.2	-58.4	99.8	0	0	0	118.9
812	N	30.9	Very low	31.9	Very low	153 Å²	153	137.5 Å²	137.5	82%	0.818	75%	0.752	S	S	*	*			trans	65	138.3	141.1	-65.8	-9.7	0	0	0	123.3
813	G	30.9	Very low	31.9	Very low	76 Å²	76	138.2 Å²	138.2	78%	0.784	76%	0.762	S	S	*	*			trans	169.8	108.6	160.9	0	0	0	0	0	115
814	H	33.4	Very low	31.6	Very low	187 Å²	187	139 Å²	139	87%	0.866	77%	0.771	S	S	*	*			trans	-84.7	139.5	-175.5	-63.6	-110.8	0	0	0	114.1
815	S	29.5	Very low	31.6	Very low	107 Å²	107	141.5 Å²	141.5	75%	0.748	77%	0.773	S	S	*	*				151.4	147.3	101.8	64.3	0	0	0	0	116.7
816	S	31.2	Very low	31.7	Very low	107 Å²	107	143 Å²	143	75%	0.748	77%	0.772	S	S	*	*			trans	69.2	129.9	147.5	-61.7	0	0	0	0	123.3
817	Q	30.9	Very low	31.6	Very low	180 Å²	180	141.1 Å²	141.1	84%	0.841	76%	0.764	S	S	*	*			trans	99.5	116.3	151.3	-48	-143.4	30.6	0	0	120.5
818	Y	27.5	Very low	31.8	Very low	214 Å²	214	143.5 Å²	143.5	84%	0.839	77%	0.771	S	S	*	*			trans	39.9	122.1	144	-98.8	-96.7	0	0	0	122.9
819	L	29.2	Very low	31.6	Very low	150 Å²	150	145.9 Å²	145.9	79%	0.785	78%	0.779	S	S	*	*			trans	72.9	165.2	153.9	-82.6	167	0	0	0	119.4
820	Q	34.1	Very low	31.5	Very low	138 Å²	138	144.4 Å²	144.4	65%	0.645	78%	0.779	S	S	*	*			trans	67.5	106.4	174.4	-120.6	58.7	17	0	0	120.9
821	Q	30.6	Very low	31.3	Very low	138 Å²	138	145.4 Å²	145.4	65%	0.645	78%	0.778	S	S	*	*			trans	14.4	117.8	135.4	-59.8	163.8	-40.7	0	0	118.6
822	H	34	Very low	31.3	Very low	171 Å²	171	145.1 Å²	145.1	79%	0.792	78%	0.777	S	S	*	*				-166.5	137.4	104.9	-109.8	-103	0	0	0	106.8
823	N	31	Very low	31.5	Very low	148 Å²	148	147.7 Å²	147.7	79%	0.791	78%	0.781	S	S	*	*				54.5	71.9	51.6	-75.8	11.6	0	0	0	113
824	L	31.7	Very low	31.6	Very low	171 Å²	171	151.4 Å²	151.4	90%	0.895	78%	0.783	S	S	*	*			trans	-93.8	119.7	147.8	-105.9	166.3	0	0	0	108.1
825	M	32.9	Very low	31.6	Very low	154 Å²	154	146.8 Å²	146.8	76%	0.759	78%	0.777	S	S	*	*			trans	-88.9	142.5	166.5	-163.1	103.8	83.5	0	0	107.2
826	D	33.4	Very low	32	Very low	147 Å²	147	149 Å²	149	79%	0.786	78%	0.781	S	S	*	*			trans	-160.7	122.4	138.2	-90.7	-33.5	0	0	0	108.4
827	S	31.1	Very low	32.1	Very low	89 Å²	89	153.7 Å²	153.7	62%	0.622	78%	0.782	S	S	*	*			cis	83.4	64.6	49.7	-56.5	0	0	0	0	113.4
828	I	35.3	Very low	32.1	Very low	169 Å²	169	154.7 Å²	154.7	87%	0.867	78%	0.778	S	S	*	*			trans	-121.1	115.1	150.5	-60.9	-176.9	0	0	0	108.1
829	N	29.2	Very low	32.6	Very low	166 Å²	166	152.3 Å²	152.3	89%	0.888	78%	0.779	S	S	*	*			trans	-76.5	148.1	170.2	-72.1	-52.6	0	0	0	110.1
830	G	28.9	Very low	32.7	Very low	67 Å²	67	151.9 Å²	151.9	69%	0.691	78%	0.776	S	S	*	*			trans	134.3	120.3	142	0	0	0	0	0	116.9
831	K	30.6	Very low	32.7	Very low	183 Å²	183	148.6 Å²	148.6	80%	0.796	78%	0.779	S	S	*	*			trans	71.3	116.6	132.4	-64.3	-174.1	-180	-177.2	0	118.9
832	D	30.8	Very low	32.8	Very low	132 Å²	132	147.3 Å²	147.3	71%	0.706	79%	0.785	S	S	*	*				57.1	106.9	123.5	-38.5	-25.9	0	0	0	117.2
833	F	35.5	Very low	33.1	Very low	208 Å²	208	144.7 Å²	144.7	91%	0.912	79%	0.786	S	S	*	*				-159.1	144.1	102.5	-122.2	-94	0	0	0	112
834	D	33.2	Very low	33.5	Very low	154 Å²	154	143.5 Å²	143.5	82%	0.824	79%	0.787	S	S	*	*			trans	-84.6	173.6	168.4	-103.8	-66.1	0	0	0	111
835	A	33.7	Very low	33.7	Very low	90 Å²	90	140.9 Å²	140.9	74%	0.744	78%	0.783	S	S	*	*			trans	74.2	152.4	180	0	0	0	0	0	115.6
836	D	37.9	Very low	33.9	Very low	153 Å²	153	141.5 Å²	141.5	82%	0.818	78%	0.783	S	S	*	*			cis	-125.3	160	11.3	-147.4	-15.5	0	0	0	115
837	R	32.1	Very low	34.2	Very low	206 Å²	206	140.2 Å²	140.2	78%	0.777	78%	0.783	S	S	*	*			trans	-142.2	103.5	-170.6	170.7	-154.2	177.7	-169.1	1.2	108.5
838	R	32	Very low	34.2	Very low	201 Å²	201	140.5 Å²	140.5	76%	0.758	78%	0.781	S	S	*	*			trans	171.5	138.8	148.9	-92.3	141.2	-172.7	148.8	-7.5	112.3	I840	R838-I840 HydrophobicContact CB-CD1 4.29Å; R838-I840 HydrophobicContact CG-CD1 4.11Å
839	L	37.3	Very low	34.2	Very low	164 Å²	164	140.5 Å²	140.5	86%	0.859	78%	0.781	S	S	*	*			trans	160.1	86.5	136.4	-87	163	0	0	0	106.2
840	I	32.1	Very low	34.3	Very low	140 Å²	140	139.6 Å²	139.6	72%	0.718	77%	0.772	S	S	*	*				73.9	129.9	69.8	-59.6	166.5	0	0	0	111.7	R838	R838-I840 HydrophobicContact CB-CD1 4.29Å; R838-I840 HydrophobicContact CG-CD1 4.11Å
841	G	32.6	Very low	34.5	Very low	69 Å²	69	143.3 Å²	143.3	71%	0.711	78%	0.775	S	S	*	*			trans	125.8	52.4	-173.5	0	0	0	0	0	113
842	S	34.6	Very low	34.6	Very low	111 Å²	111	139.3 Å²	139.3	78%	0.776	77%	0.77	S	S	*	*				85.8	114.4	74.5	-61.2	0	0	0	0	114
843	S	39.3	Very low	35	Very low	117 Å²	117	138.7 Å²	138.7	82%	0.818	78%	0.776	S	S	*	*			trans	-81.8	166	170.3	-47.9	0	0	0	0	112.2
844	P	39.2	Very low	35	Very low	123 Å²	123	134.1 Å²	134.1	80%	0.799	77%	0.77	S	S	*	*				-148.2	171.4	111.2	36	-19.5	0	0	0	113.6
845	S	36.8	Very low	35.1	Very low	115 Å²	115	132.9 Å²	132.9	80%	0.804	77%	0.77	S	S	*	*			cis	-166.1	157.7	-21.8	49.8	0	0	0	0	110.1
846	H	36.1	Very low	35.2	Very low	167 Å²	167	134.1 Å²	134.1	77%	0.773	77%	0.773	S	S	*	*			trans	-78.4	167.5	171.7	-94.3	-81.2	0	0	0	112.8
847	P	39.1	Very low	35	Very low	120 Å²	120	131.7 Å²	131.7	78%	0.779	77%	0.774	S	S	*	*				-129.5	168.9	92.3	22.6	-4.9	0	0	0	113
848	T	32.3	Very low	35.2	Very low	95 Å²	95	129.5 Å²	129.5	58%	0.583	78%	0.777	S	S	*	*			cis	132.5	97.1	-13.2	-70.4	0	0	0	0	111.8	Q850	T848-Q850 HydrophobicContact CG2-CG 3.66Å
849	I	35.4	Very low	35.4	Very low	170 Å²	170	124.1 Å²	124.1	87%	0.872	77%	0.77	S	S	*	*			trans	-143.7	98.8	156.6	-54.3	177.3	0	0	0	103.6
850	Q	32	Very low	35.4	Very low	147 Å²	147	125.5 Å²	125.5	69%	0.687	77%	0.772	S	S	*	*				79.4	128.1	52.6	-73.9	-127	16.6	0	0	115.9	T848	T848-Q850 HydrophobicContact CG2-CG 3.66Å
851	L	32.2	Very low	36	Very low	144 Å²	144	127.5 Å²	127.5	75%	0.754	78%	0.775	S	S	*	*			trans	64.7	143.2	174.1	-80.2	72.4	0	0	0	119.1
852	S	33	Very low	36.3	Very low	100 Å²	100	133.5 Å²	133.5	70%	0.699	78%	0.781	S	S	*	*			cis	-173.9	122.3	-32.3	43.1	0	0	0	0	111.9
853	S	38.2	Very low	36.8	Very low	119 Å²	119	134 Å²	134	83%	0.832	78%	0.782	S	S	*	*			trans	-167.2	124.5	150.1	54.6	0	0	0	0	109.9
854	S	35.4	Very low	37.5	Very low	111 Å²	111	133.6 Å²	133.6	78%	0.776	78%	0.779	S	S	*	*			trans	-89.4	139.4	-157.5	-49.6	0	0	0	0	115.4	S856	S854-S856 PolarHBondContact O-N 2.78Å
855	P	35.7	Very low	38.5	Very low	128 Å²	128	135.3 Å²	135.3	83%	0.831	78%	0.781	S	S	*	*			trans	-77.9	110.7	161.3	31.3	-30.4	0	0	0	109.8
856	S	36.7	Very low	39.9	Very low	116 Å²	116	132.5 Å²	132.5	81%	0.811	76%	0.76	S	S	*	*			trans	-63.9	139.1	179.2	-58	0	0	0	0	112.3	S854 I858	S854-S856 PolarHBondContact O-N 2.78Å; S856-I858 PolarHBondContact O-N 2.94Å
857	A	32.1	Very low	41.8	Very low	102 Å²	102	132 Å²	132	84%	0.843	76%	0.758	S	S	*	*			trans	-64.6	124.1	-168.9	0	0	0	0	0	114	S859	A857-S859 PolarHBondContact O-N 3.11Å
858	I	38.2	Very low	44.1	Very low	161 Å²	161	131.9 Å²	131.9	83%	0.826	75%	0.75	S	S	*	*			trans	-84.5	105.9	156.6	-62.2	179.3	0	0	0	106.8	S856 H860	S856-I858 PolarHBondContact O-N 2.94Å; I858-H860 PolarHBondContact O-N 2.77Å
859	S	35.1	Very low	46.6	Very low	88 Å²	88	128.4 Å²	128.4	62%	0.615	73%	0.728	S	S	*	*			trans	-56.9	128	178.2	178.5	0	0	0	0	111.1	A857 K861	A857-S859 PolarHBondContact O-N 3.11Å; S859-K861 PolarHBondContact O-N 3.45Å
860	H	36.6	Very low	49.1	Very low	193 Å²	193	123.2 Å²	123.2	89%	0.894	71%	0.705	S	S	*	*			trans	-69.1	71.3	168	-73.8	-72.9	0	0	0	110.6	I858 K862	I858-H860 PolarHBondContact O-N 2.77Å; H860-K862 PolarHBondContact O-N 2.91Å; H860-K862 VanDerWaalsContact O-N 3.12Å
861	K	44.9	Very low	51.8	Low	182 Å²	182	118.1 Å²	118.1	79%	0.791	68%	0.68	S	S	*	*			trans	-62.5	115.2	163.6	-71.7	-168.9	175.3	-173.9	0	107.8	S859	S859-K861 PolarHBondContact O-N 3.45Å
862	K	39.2	Very low	54.5	Low	194 Å²	194	117 Å²	117	84%	0.843	67%	0.67	S	S	*	*			trans	-41.6	127.4	168.1	-170.9	177.6	-174.7	179.1	0	108.1	H860 S864	H860-K862 PolarHBondContact O-N 2.91Å; H860-K862 VanDerWaalsContact O-N 3.12Å; K862-S864 PolarHBondContact O-N 2.97Å
863	P	44.7	Very low	57.1	Low	121 Å²	121	117.7 Å²	117.7	79%	0.786	66%	0.661	S	S	*	*			trans	-59.4	112.4	-171.2	22.9	-33.1	0	0	0	109.3	L865	P863-L865 PolarHBondContact O-N 3.13Å
864	S	53.8	Low	59.5	Low	109 Å²	109	112 Å²	112	76%	0.762	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-61	130.3	171.3	48.8	0	0	0	0	108	K862	K862-S864 PolarHBondContact O-N 2.97Å
865	L	60.7	Low	61.9	Low	160 Å²	160	110.5 Å²	110.5	84%	0.838	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-51	138.1	174.1	-72.4	166.4	0	0	0	109.4	P863 Q867	P863-L865 PolarHBondContact O-N 3.13Å; L865-Q867 PolarHBondContact O-N 3.2Å
866	P	67	Low	64.4	Low	55 Å²	55	111.2 Å²	111.2	36%	0.357	59%	0.593	S	S	.	*	P	Polyproline II helix	trans	-51.8	132.6	174.8	-25.1	33.6	0	0	0	109.8	L868 T892	P866-L868 PolarHBondContact O-N 3.04Å; P866-T892 WeakPolarHBondContact CB-O 3.43Å
867	Q	75.8	Confident	66.6	Low	157 Å²	157	109.1 Å²	109.1	73%	0.734	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-60.3	126.7	172	-71.1	-176.2	-13.5	0	0	108.2	L865 H893	L865-Q867 PolarHBondContact O-N 3.2Å; Q867-H893 PolarHBondContact O-ND1 2.96Å
868	L	86.3	Confident	69	Low	118 Å²	118	114.7 Å²	114.7	62%	0.618	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-73.2	126.5	178.1	-61.5	-178.1	0	0	0	109.4	P866 H893	P866-L868 PolarHBondContact O-N 3.04Å; L868-H893 CarbonylContact C-O 3.51Å; L868-H893 VanDerWaalsContact CA-O 3.26Å; L868-H893 WeakPolarHBondContact CA-O 3.3Å
869	I	85.2	Confident	70.8	Confident	22 Å²	22	108.1 Å²	108.1	11%	0.113	54%	0.539	C	S	.	.			trans	-132.3	119.7	-176.5	-57.2	173.7	0	0	0	107.3	K873 L874 I885 H893	I869-K873 HydrophobicContact CG2-CB 3.88Å; I869-L874 HydrophobicContact CB-CD1 4.42Å; I869-L874 HydrophobicContact CB-CD2 3.89Å; I869-L874 HydrophobicContact CB-CG 4.03Å; I869-L874 HydrophobicContact CD1-CD2 4.18Å; I869-L874 HydrophobicContact CG2-CD2 3.7Å; I869-L874 HydrophobicContact CG2-CG 3.8Å; I869-L874 WeakPolarHBondContact O-CD1 3.25Å; I869-I885 HydrophobicContact CD1-CD1 3.45Å; I869-I885 VanDerWaalsContact CD1-CD1 3.45Å; I869-I885 HydrophobicContact CD1-CG1 3.72Å; I869-H893 HydrophobicContact CB-CB 4.44Å; I869-H893 HydrophobicContact CD1-CB 4.46Å; I869-H893 PolarHBondContact N-O 3.16Å
870	P	88.7	Confident	73	Confident	60 Å²	60	110.2 Å²	110.2	39%	0.39	54%	0.542	S	S	.	.			trans	-57	148.2	-176.9	-29.6	35.8	0	0	0	114.3	E872 K873 L874 E898	P870-E872 VanDerWaalsContact C-N 3.27Å; P870-E872 PolarHBondContact O-N 3.36Å; P870-K873 PolarHBondContact O-N 3.08Å; P870-L874 PolarHBondContact O-N 2.81Å; P870-L874 VanDerWaalsContact O-N 3.12Å; P870-E898 WeakPolarHBondContact CA-OE1 3.43Å
871	Y	89.4	Confident	75.2	Confident	40 Å²	40	101.8 Å²	101.8	16%	0.157	50%	0.502	C	S	.	.	H	α-helix	trans	-51	-44.2	-176.5	170.3	-126.7	0	0	0	113	K873 L874 K875 E898 V902 A925 L927	Y871-K873 VanDerWaalsContact C-N 3.3Å; Y871-K873 PolarHBondContact O-N 3.28Å; Y871-L874 PolarHBondContact O-N 3.32Å; Y871-K875 HydrophobicContact CE1-CD 4.29Å; Y871-K875 HydrophobicContact CE2-CB 4.37Å; Y871-K875 HydrophobicContact CE2-CD 4.35Å; Y871-K875 VanDerWaalsContact O-CB 3.26Å; Y871-K875 WeakPolarHBondContact O-CB 3.37Å; Y871-K875 PolarHBondContact O-N 3Å; Y871-E898 PolarHBondContact N-OE1 3.21Å; Y871-V902 HydrophobicContact CD1-CG2 3.78Å; Y871-V902 HydrophobicContact CD2-CG1 4.35Å; Y871-V902 HydrophobicContact CD2-CG2 3.77Å; Y871-V902 HydrophobicContact CE1-CG2 4.07Å; Y871-V902 HydrophobicContact CE2-CG1 4.1Å; Y871-V902 HydrophobicContact CE2-CG2 4.1Å; Y871-V902 HydrophobicContact CG-CG2 3.61Å; Y871-A925 WeakPolarHBondContact CE2-O 3.1Å; Y871-A925 PolarHBondContact OH-O 2.71Å; Y871-L927 HydrophobicContact CD2-CD1 4.11Å; Y871-L927 HydrophobicContact CD2-CD2 4.28Å; Y871-L927 HydrophobicContact CD2-CG 4.44Å; Y871-L927 HydrophobicContact CE2-CD1 4.18Å; Y871-L927 HydrophobicContact CE2-CD2 4.28Å; Y871-L927 HydrophobicContact CE2-CG 4.19Å
872	E	88.3	Confident	77	Confident	120 Å²	120	95.7 Å²	95.7	56%	0.561	48%	0.481	S	S	*	.	H	α-helix	trans	-57.6	-40.9	179.4	-74.6	58.3	-132	0	0	112	P870 K875 E876	P870-E872 VanDerWaalsContact C-N 3.27Å; P870-E872 PolarHBondContact O-N 3.36Å; E872-K875 PolarHBondContact O-N 2.93Å; E872-E876 WeakPolarHBondContact O-CB 3.25Å; E872-E876 PolarHBondContact O-N 2.94Å
873	K	88	Confident	78.7	Confident	115 Å²	115	95 Å²	95	50%	0.5	48%	0.478	S	S	.	.	H	α-helix	trans	-72.8	-40.2	177.8	-69.2	-174.9	177.8	179.5	0	111.7	I869 P870 Y871 K875 E876 Y877	I869-K873 HydrophobicContact CG2-CB 3.88Å; P870-K873 PolarHBondContact O-N 3.08Å; Y871-K873 VanDerWaalsContact C-N 3.3Å; Y871-K873 PolarHBondContact O-N 3.28Å; K873-K875 VanDerWaalsContact C-N 3.25Å; K873-K875 PolarHBondContact O-N 2.98Å; K873-E876 PolarHBondContact O-N 2.92Å; K873-Y877 WeakPolarHBondContact O-CD2 3.21Å; K873-Y877 WeakPolarHBondContact O-CE2 3.49Å; K873-Y877 PolarHBondContact O-N 3.2Å
874	L	87.6	Confident	80.3	Confident	0 Å²	0	92.8 Å²	92.8	0%	0	48%	0.478	C	S	.	.	H	α-helix	trans	-63.2	-34.8	175.4	-67.7	178.5	0	0	0	112.1	I869 P870 Y871 Y877 Y881 V890 H893 L894 L927	I869-L874 HydrophobicContact CB-CD1 4.42Å; I869-L874 HydrophobicContact CB-CD2 3.89Å; I869-L874 HydrophobicContact CB-CG 4.03Å; I869-L874 HydrophobicContact CD1-CD2 4.18Å; I869-L874 HydrophobicContact CG2-CD2 3.7Å; I869-L874 HydrophobicContact CG2-CG 3.8Å; I869-L874 WeakPolarHBondContact O-CD1 3.25Å; P870-L874 PolarHBondContact O-N 2.81Å; P870-L874 VanDerWaalsContact O-N 3.12Å; Y871-L874 PolarHBondContact O-N 3.32Å; L874-Y877 HydrophobicContact CD2-CD2 4.42Å; L874-Y877 HydrophobicContact CD2-CE2 4.39Å; L874-Y881 HydrophobicContact CD2-CD1 4.46Å; L874-Y881 HydrophobicContact CD2-CE1 4.4Å; L874-Y881 WeakPolarHBondContact O-CE1 3.49Å; L874-V890 HydrophobicContact CB-CG1 4.38Å; L874-V890 HydrophobicContact CD1-CG1 4.12Å; L874-V890 HydrophobicContact CD2-CG1 4.14Å; L874-V890 HydrophobicContact CG-CG1 4.46Å; L874-H893 HydrophobicContact CD1-CB 4.09Å; L874-H893 HydrophobicContact CD2-CB 4.45Å; L874-L894 HydrophobicContact CD1-CD2 3.77Å; L874-L894 HydrophobicContact CD1-CG 4.03Å; L874-L927 HydrophobicContact CB-CD2 3.66Å
875	K	86.6	Confident	81.6	Confident	80 Å²	80	88.4 Å²	88.4	35%	0.348	45%	0.446	S	S	.	.	H	α-helix	trans	-72.1	-37	174.9	-173.9	-177	-172.2	-179.7	0	112.7	Y871 E872 K873 Y877 R878 Q926	Y871-K875 HydrophobicContact CE1-CD 4.29Å; Y871-K875 HydrophobicContact CE2-CB 4.37Å; Y871-K875 HydrophobicContact CE2-CD 4.35Å; Y871-K875 VanDerWaalsContact O-CB 3.26Å; Y871-K875 WeakPolarHBondContact O-CB 3.37Å; Y871-K875 PolarHBondContact O-N 3Å; E872-K875 PolarHBondContact O-N 2.93Å; K873-K875 VanDerWaalsContact C-N 3.25Å; K873-K875 PolarHBondContact O-N 2.98Å; K875-Y877 VanDerWaalsContact C-N 3.28Å; K875-Y877 PolarHBondContact O-N 3.04Å; K875-R878 PolarHBondContact O-N 2.98Å; K875-Q926 HydrophobicContact CG-CB 4.33Å
876	E	87.7	Confident	82.6	Confident	143 Å²	143	86 Å²	86	67%	0.668	43%	0.434	S	S	*	.	H	α-helix	trans	-59.8	-35.7	176.9	-173.7	173.8	-155.7	0	0	112.7	E872 K873 R878	E872-E876 WeakPolarHBondContact O-CB 3.25Å; E872-E876 PolarHBondContact O-N 2.94Å; K873-E876 PolarHBondContact O-N 2.92Å; E876-R878 PolarHBondContact O-N 2.94Å
877	Y	83.5	Confident	83.4	Confident	72 Å²	72	91.4 Å²	91.4	28%	0.282	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-19.8	179.3	-63.5	-48.9	0	0	0	115.1	K873 L874 K875 G879 I880 Y881 P882 I885	K873-Y877 WeakPolarHBondContact O-CD2 3.21Å; K873-Y877 WeakPolarHBondContact O-CE2 3.49Å; K873-Y877 PolarHBondContact O-N 3.2Å; L874-Y877 HydrophobicContact CD2-CD2 4.42Å; L874-Y877 HydrophobicContact CD2-CE2 4.39Å; K875-Y877 VanDerWaalsContact C-N 3.28Å; K875-Y877 PolarHBondContact O-N 3.04Å; Y877-G879 VanDerWaalsContact C-N 3.26Å; Y877-G879 PolarHBondContact O-N 2.83Å; Y877-G879 VanDerWaalsContact O-N 3.11Å; Y877-I880 WeakPolarHBondContact O-CA 3.11Å; Y877-I880 PolarHBondContact O-N 3.05Å; Y877-Y881 AromaticContact CD2-CD1 3.65Å; Y877-Y881 HydrophobicContact CD2-CD1 3.65Å; Y877-Y881 HydrophobicContact CD2-CE1 4.1Å; Y877-Y881 HydrophobicContact CG-CD1 4.12Å; Y877-P882 HydrophobicContact CD1-CG 4.23Å; Y877-P882 HydrophobicContact CE1-CG 3.61Å; Y877-P882 HydrophobicContact CE2-CG 4.12Å; Y877-I885 HydrophobicContact CE2-CD1 4.25Å
878	R	80.7	Confident	83.6	Confident	219 Å²	219	89.6 Å²	89.6	83%	0.826	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.8	44.3	177.6	-60.6	178	-173.9	-164.8	2.9	114.1	K875 E876	K875-R878 PolarHBondContact O-N 2.98Å; E876-R878 PolarHBondContact O-N 2.94Å
879	G	76.5	Confident	83.6	Confident	23 Å²	23	85 Å²	85	24%	0.237	43%	0.426	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.4	-13	-178	0	0	0	0	0	115.8	Y877 Y881	Y877-G879 VanDerWaalsContact C-N 3.26Å; Y877-G879 PolarHBondContact O-N 2.83Å; Y877-G879 VanDerWaalsContact O-N 3.11Å; G879-Y881 WeakPolarHBondContact O-CD2 3.29Å; G879-Y881 PolarHBondContact O-N 2.81Å
880	I	81.8	Confident	83.8	Confident	132 Å²	132	84 Å²	84	68%	0.677	42%	0.421	S	S	*	.			trans	-97.6	64.8	-178.9	-47.7	-179.4	0	0	0	110.1	Y877	Y877-I880 WeakPolarHBondContact O-CA 3.11Å; Y877-I880 PolarHBondContact O-N 3.05Å
881	Y	83.8	Confident	83.8	Confident	15 Å²	15	81.3 Å²	81.3	6%	0.059	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-70.8	141.1	-176.9	-57.8	-79	0	0	0	113.4	L874 Y877 G879 I885 R887 V890	L874-Y881 HydrophobicContact CD2-CD1 4.46Å; L874-Y881 HydrophobicContact CD2-CE1 4.4Å; L874-Y881 WeakPolarHBondContact O-CE1 3.49Å; Y877-Y881 AromaticContact CD2-CD1 3.65Å; Y877-Y881 HydrophobicContact CD2-CD1 3.65Å; Y877-Y881 HydrophobicContact CD2-CE1 4.1Å; Y877-Y881 HydrophobicContact CG-CD1 4.12Å; G879-Y881 WeakPolarHBondContact O-CD2 3.29Å; G879-Y881 PolarHBondContact O-N 2.81Å; Y881-I885 HydrophobicContact CD1-CG2 3.93Å; Y881-I885 HydrophobicContact CG-CG2 3.94Å; Y881-R887 HydrophobicContact CD2-CG 4.13Å; Y881-V890 HydrophobicContact CD1-CG1 4.42Å; Y881-V890 HydrophobicContact CD1-CG2 4.48Å; Y881-V890 HydrophobicContact CD2-CG2 4.11Å; Y881-V890 HydrophobicContact CE1-CG1 3.7Å; Y881-V890 HydrophobicContact CE1-CG2 4.09Å; Y881-V890 HydrophobicContact CE2-CG2 3.64Å
882	P	81	Confident	83.8	Confident	54 Å²	54	81.3 Å²	81.3	35%	0.351	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-52.6	160.1	169.7	-30.4	33.7	0	0	0	115.8	Y877 G884 I885	Y877-P882 HydrophobicContact CD1-CG 4.23Å; Y877-P882 HydrophobicContact CE1-CG 3.61Å; Y877-P882 HydrophobicContact CE2-CG 4.12Å; P882-G884 PolarHBondContact O-N 3.22Å; P882-I885 HydrophobicContact CB-CD1 4.09Å; P882-I885 HydrophobicContact CG-CD1 4.12Å; P882-I885 PolarHBondContact O-N 2.95Å
883	K	76.4	Confident	83.7	Confident	179 Å²	179	76.1 Å²	76.1	78%	0.778	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	122.3	174.6	-66.4	177.8	179	176.3	0	110	Y690	Y690-K883 VanDerWaalsContact OH-CE 3.26Å; Y690-K883 WeakPolarHBondContact OH-CE 3.17Å; Y690-K883 PolarHBondContact OH-NZ 3.17Å
884	G	77.3	Confident	83.8	Confident	75 Å²	75	70.7 Å²	70.7	77%	0.773	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	109.3	-5	-177.8	0	0	0	0	0	114.7	P882	P882-G884 PolarHBondContact O-N 3.22Å
885	I	82.3	Confident	83.9	Confident	18 Å²	18	71.7 Å²	71.7	9%	0.092	37%	0.366	C	S	.	.	S	Bend	trans	-105.3	120.4	171.4	-63.4	156	0	0	0	108.8	I869 Y877 Y881 P882 R887	I869-I885 HydrophobicContact CD1-CD1 3.45Å; I869-I885 VanDerWaalsContact CD1-CD1 3.45Å; I869-I885 HydrophobicContact CD1-CG1 3.72Å; Y877-I885 HydrophobicContact CE2-CD1 4.25Å; Y881-I885 HydrophobicContact CD1-CG2 3.93Å; Y881-I885 HydrophobicContact CG-CG2 3.94Å; P882-I885 HydrophobicContact CB-CD1 4.09Å; P882-I885 HydrophobicContact CG-CD1 4.12Å; P882-I885 PolarHBondContact O-N 2.95Å; I885-R887 PolarHBondContact O-N 3.19Å
886	D	81.1	Confident	84	Confident	110 Å²	110	72.5 Å²	72.5	59%	0.588	37%	0.374	S	S	*	.			trans	-76.4	112.4	179.1	-90.4	-21.8	0	0	0	110.8	T888 A889 V890	D886-T888 PolarHBondContact O-N 3.1Å; D886-A889 HydrophobicContact CB-CB 4.05Å; D886-A889 CarbonylContact O-C 3.59Å; D886-A889 PolarHBondContact O-N 3.43Å; D886-V890 PolarHBondContact O-N 3.41Å; D886-V890 VanDerWaalsContact O-N 3.11Å
887	R	83.1	Confident	84.1	Confident	168 Å²	168	72.8 Å²	72.8	63%	0.634	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-23.6	-178.3	-56.9	-169.1	176.2	-177.1	-4.2	114	Y881 I885	Y881-R887 HydrophobicContact CD2-CG 4.13Å; I885-R887 PolarHBondContact O-N 3.19Å
888	T	81.3	Confident	84.5	Confident	119 Å²	119	71 Å²	71	73%	0.73	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-15.5	177.2	47.1	0	0	0	0	113.6	D886 K922	D886-T888 PolarHBondContact O-N 3.1Å; T888-K922 PolarHBondContact O-NZ 3.07Å
889	A	85.7	Confident	85.1	Confident	22 Å²	22	60.6 Å²	60.6	18%	0.182	33%	0.331	C	S	.	.			trans	-135.1	27.5	-168.2	0	0	0	0	0	113.1	D886 E891 T892	D886-A889 HydrophobicContact CB-CB 4.05Å; D886-A889 CarbonylContact O-C 3.59Å; D886-A889 PolarHBondContact O-N 3.43Å; A889-E891 VanDerWaalsContact CA-OE2 3.25Å; A889-E891 WeakPolarHBondContact CA-OE2 3.35Å; A889-E891 PolarHBondContact O-N 2.85Å; A889-T892 HydrophobicContact CB-CG2 4.14Å; A889-T892 WeakPolarHBondContact O-CB 3.15Å; A889-T892 WeakPolarHBondContact O-CG2 3.21Å; A889-T892 PolarHBondContact O-N 3.03Å; A889-T892 PolarHBondContact O-OG1 3.3Å
890	V	88.8	Confident	85.9	Confident	1 Å²	1	64.5 Å²	64.5	1%	0.006	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-48.9	-34.1	-179.1	-177.2	0	0	0	0	112.9	L874 Y881 D886 T892 H893 L927	L874-V890 HydrophobicContact CB-CG1 4.38Å; L874-V890 HydrophobicContact CD1-CG1 4.12Å; L874-V890 HydrophobicContact CD2-CG1 4.14Å; L874-V890 HydrophobicContact CG-CG1 4.46Å; Y881-V890 HydrophobicContact CD1-CG1 4.42Å; Y881-V890 HydrophobicContact CD1-CG2 4.48Å; Y881-V890 HydrophobicContact CD2-CG2 4.11Å; Y881-V890 HydrophobicContact CE1-CG1 3.7Å; Y881-V890 HydrophobicContact CE1-CG2 4.09Å; Y881-V890 HydrophobicContact CE2-CG2 3.64Å; D886-V890 PolarHBondContact O-N 3.41Å; D886-V890 VanDerWaalsContact O-N 3.11Å; V890-T892 PolarHBondContact O-N 3.4Å; V890-T892 VanDerWaalsContact O-N 3.13Å; V890-H893 PolarHBondContact O-N 3.28Å; V890-H893 VanDerWaalsContact O-N 3.08Å; V890-L927 HydrophobicContact CG1-CB 4.37Å; V890-L927 HydrophobicContact CG1-CD2 4.16Å
891	E	87.9	Confident	86.3	Confident	3 Å²	3	65.6 Å²	65.6	1%	0.014	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-64.8	-11.8	177.2	76	-86.4	-144.6	0	0	114.9	A889 H893 F899 F903 R907 F910 K922	A889-E891 VanDerWaalsContact CA-OE2 3.25Å; A889-E891 WeakPolarHBondContact CA-OE2 3.35Å; A889-E891 PolarHBondContact O-N 2.85Å; E891-H893 VanDerWaalsContact C-N 3.32Å; E891-F899 HydrophobicContact CB-CD2 4.32Å; E891-F899 HydrophobicContact CB-CE2 3.81Å; E891-F899 HydrophobicContact CG-CE2 3.92Å; E891-F899 WeakPolarHBondContact O-CD2 3.29Å; E891-F903 HydrophobicContact CB-CE2 3.89Å; E891-F903 HydrophobicContact CB-CZ 4.17Å; E891-R907 PolarHBondContact O-NH2 2.76Å; E891-F910 HydrophobicContact CG-CE1 3.86Å; E891-F910 HydrophobicContact CG-CZ 4.3Å; E891-F910 WeakPolarHBondContact OE1-CE1 3.47Å; E891-K922 VanDerWaalsContact CD-CE 3.41Å; E891-K922 WeakPolarHBondContact OE1-CE 3.24Å; E891-K922 IonicContact OE1-NZ 3.72Å; E891-K922 PolarHBondContact OE1-NZ 3.03Å; E891-K922 VanDerWaalsContact OE2-CE 3.28Å; E891-K922 WeakPolarHBondContact OE2-CE 3.25Å; E891-K922 IonicContact OE2-NZ 3.93Å; E891-K922 PolarHBondContact OE2-NZ 2.9Å
892	T	89.5	Confident	86.7	Confident	39 Å²	39	66.7 Å²	66.7	24%	0.239	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-78.1	-18.3	173.5	63.4	0	0	0	0	112.7	P866 A889 V890 Y911	P866-T892 WeakPolarHBondContact CB-O 3.43Å; A889-T892 HydrophobicContact CB-CG2 4.14Å; A889-T892 WeakPolarHBondContact O-CB 3.15Å; A889-T892 WeakPolarHBondContact O-CG2 3.21Å; A889-T892 PolarHBondContact O-N 3.03Å; A889-T892 PolarHBondContact O-OG1 3.3Å; V890-T892 PolarHBondContact O-N 3.4Å; V890-T892 VanDerWaalsContact O-N 3.13Å; T892-Y911 WeakPolarHBondContact CG2-OH 3.29Å
893	H	88.1	Confident	87.3	Confident	12 Å²	12	64.5 Å²	64.5	6%	0.056	34%	0.338	C	S	.	.	S	Bend	trans	-89.3	-10.2	178.7	-65.8	-88.1	0	0	0	114.2	Q867 L868 I869 L874 V890 E891	Q867-H893 PolarHBondContact O-ND1 2.96Å; L868-H893 CarbonylContact C-O 3.51Å; L868-H893 VanDerWaalsContact CA-O 3.26Å; L868-H893 WeakPolarHBondContact CA-O 3.3Å; I869-H893 HydrophobicContact CB-CB 4.44Å; I869-H893 HydrophobicContact CD1-CB 4.46Å; I869-H893 PolarHBondContact N-O 3.16Å; L874-H893 HydrophobicContact CD1-CB 4.09Å; L874-H893 HydrophobicContact CD2-CB 4.45Å; V890-H893 PolarHBondContact O-N 3.28Å; V890-H893 VanDerWaalsContact O-N 3.08Å; E891-H893 VanDerWaalsContact C-N 3.32Å
894	L	89.1	Confident	88	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	34%	0.335	C	S	.	.	S	Bend	trans	-72.6	149.3	170.5	-67.4	171.3	0	0	0	110.6	L874 E898 F899 F903 R907 L927	L874-L894 HydrophobicContact CD1-CD2 3.77Å; L874-L894 HydrophobicContact CD1-CG 4.03Å; L894-E898 HydrophobicContact CB-CB 4.29Å; L894-E898 HydrophobicContact CD2-CB 4.14Å; L894-F899 HydrophobicContact CB-CB 4.24Å; L894-F899 HydrophobicContact CD1-CD2 4.45Å; L894-F903 HydrophobicContact CD1-CE2 3.95Å; L894-R907 PolarHBondContact O-NH2 3.27Å; L894-L927 HydrophobicContact CD1-CD1 3.92Å
895	S	89.8	Confident	88.7	Confident	21 Å²	21	59.3 Å²	59.3	15%	0.147	31%	0.313	C	S	.	.			trans	-62.3	158.1	162.6	90.6	0	0	0	0	110.2	E897 E898 F899	S895-E897 PolarHBondContact O-N 3.08Å; S895-E897 PolarHBondContact OG-N 2.93Å; S895-E898 PolarHBondContact N-OE2 2.69Å; S895-E898 PolarHBondContact O-N 3.02Å; S895-E898 WeakPolarHBondContact OG-CG 3.12Å; S895-E898 PolarHBondContact OG-N 2.68Å; S895-F899 WeakPolarHBondContact O-CB 3.01Å; S895-F899 PolarHBondContact O-N 2.9Å
896	D	89	Confident	89.1	Confident	97 Å²	97	60.6 Å²	60.6	52%	0.519	32%	0.324	S	S	.	.	H	α-helix	trans	-64.9	-24.4	176.8	-76.1	-65.7	0	0	0	112.5	Q900 R907	D896-Q900 WeakPolarHBondContact O-CB 3.35Å; D896-Q900 PolarHBondContact O-N 3.18Å; D896-Q900 VanDerWaalsContact O-N 3.1Å; D896-R907 WeakPolarHBondContact OD1-CD 3.42Å; D896-R907 IonicContact OD1-CZ 3.71Å; D896-R907 VanDerWaalsContact OD1-CZ 3.32Å; D896-R907 IonicContact OD1-NE 3.07Å; D896-R907 PolarHBondContact OD1-NE 2.85Å; D896-R907 IonicContact OD1-NH1 2.69Å; D896-R907 PolarHBondContact OD1-NH1 2.89Å; D896-R907 IonicContact OD2-NH1 3.95Å; D896-R907 PolarHBondContact OD2-NH1 3.12Å; D896-R907 VanDerWaalsContact OD2-NH1 3.11Å
897	E	90.5	Very high	89.6	Confident	150 Å²	150	58.1 Å²	58.1	70%	0.701	31%	0.306	S	S	*	.	H	α-helix	trans	-72.6	-51.8	174.8	-62.5	162.9	174.7	0	0	111.1	S895 F899 Q900 Q901	S895-E897 PolarHBondContact O-N 3.08Å; S895-E897 PolarHBondContact OG-N 2.93Å; E897-F899 VanDerWaalsContact C-N 3.3Å; E897-F899 PolarHBondContact O-N 3.33Å; E897-Q900 PolarHBondContact O-N 3.37Å; E897-Q901 WeakPolarHBondContact O-CG 3.29Å; E897-Q901 PolarHBondContact O-N 3.34Å
898	E	91.5	Very high	90	Very high	35 Å²	35	54.7 Å²	54.7	16%	0.164	30%	0.304	C	S	.	.	H	α-helix	trans	-61	-40.8	174.7	-67.8	179.8	109.5	0	0	111.2	P870 Y871 L894 S895 Q900 Q901 V902	P870-E898 WeakPolarHBondContact CA-OE1 3.43Å; Y871-E898 PolarHBondContact N-OE1 3.21Å; L894-E898 HydrophobicContact CB-CB 4.29Å; L894-E898 HydrophobicContact CD2-CB 4.14Å; S895-E898 PolarHBondContact N-OE2 2.69Å; S895-E898 PolarHBondContact O-N 3.02Å; S895-E898 WeakPolarHBondContact OG-CG 3.12Å; S895-E898 PolarHBondContact OG-N 2.68Å; E898-Q900 VanDerWaalsContact C-N 3.3Å; E898-Q900 PolarHBondContact O-N 2.87Å; E898-Q901 PolarHBondContact O-N 2.71Å; E898-V902 WeakPolarHBondContact O-CB 3.36Å; E898-V902 VanDerWaalsContact O-CG2 3.26Å; E898-V902 WeakPolarHBondContact O-CG2 3.15Å; E898-V902 PolarHBondContact O-N 2.84Å
899	F	93.6	Very high	90.5	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-56.9	-46.1	175.4	-172.5	-73.5	0	0	0	111	E891 L894 S895 E897 F903 L905 R907 F910	E891-F899 HydrophobicContact CB-CD2 4.32Å; E891-F899 HydrophobicContact CB-CE2 3.81Å; E891-F899 HydrophobicContact CG-CE2 3.92Å; E891-F899 WeakPolarHBondContact O-CD2 3.29Å; L894-F899 HydrophobicContact CB-CB 4.24Å; L894-F899 HydrophobicContact CD1-CD2 4.45Å; S895-F899 WeakPolarHBondContact O-CB 3.01Å; S895-F899 PolarHBondContact O-N 2.9Å; E897-F899 VanDerWaalsContact C-N 3.3Å; E897-F899 PolarHBondContact O-N 3.33Å; F899-F903 AromaticContact CD1-CD2 3.91Å; F899-F903 HydrophobicContact CD1-CD2 3.91Å; F899-F903 AromaticContact CD2-CD2 3.92Å; F899-F903 HydrophobicContact CD2-CD2 3.92Å; F899-F903 AromaticContact CD2-CE2 3.97Å; F899-F903 HydrophobicContact CD2-CE2 3.97Å; F899-F903 HydrophobicContact CE1-CB 4.42Å; F899-F903 AromaticContact CE1-CD2 3.76Å; F899-F903 HydrophobicContact CE1-CD2 3.76Å; F899-F903 HydrophobicContact CE1-CG 4.49Å; F899-F903 AromaticContact CE2-CD2 3.84Å; F899-F903 HydrophobicContact CE2-CD2 3.84Å; F899-F903 AromaticContact CE2-CE2 3.84Å; F899-F903 HydrophobicContact CE2-CE2 3.84Å; F899-F903 AromaticContact CG-CD2 3.95Å; F899-F903 HydrophobicContact CG-CD2 3.95Å; F899-F903 HydrophobicContact CG-CE2 4.42Å; F899-F903 AromaticContact CZ-CD2 3.74Å; F899-F903 HydrophobicContact CZ-CD2 3.74Å; F899-F903 HydrophobicContact CZ-CE2 4.14Å; F899-F903 WeakPolarHBondContact O-CB 3.35Å; F899-F903 WeakPolarHBondContact O-CD2 3.49Å; F899-F903 PolarHBondContact O-N 3.22Å; F899-L905 WeakPolarHBondContact CD1-O 3.48Å; F899-R907 HydrophobicContact CD1-CB 4.18Å; F899-R907 VanDerWaalsContact CE1-CA 3.4Å; F899-R907 HydrophobicContact CE1-CB 4.02Å; F899-R907 HydrophobicContact CE2-CB 4.48Å; F899-R907 HydrophobicContact CE2-CG 4.23Å; F899-R907 HydrophobicContact CZ-CB 4.16Å; F899-R907 HydrophobicContact CZ-CG 4.22Å; F899-F910 HydrophobicContact CE1-CB 3.78Å; F899-F910 HydrophobicContact CE1-CG 4.21Å; F899-F910 HydrophobicContact CZ-CB 3.56Å; F899-F910 AromaticContact CZ-CD1 3.8Å; F899-F910 HydrophobicContact CZ-CD1 3.8Å; F899-F910 HydrophobicContact CZ-CD2 4.1Å; F899-F910 HydrophobicContact CZ-CE1 4.46Å; F899-F910 AromaticContact CZ-CG 3.58Å; F899-F910 HydrophobicContact CZ-CG 3.58Å
900	Q	91.6	Very high	90.9	Very high	105 Å²	105	49.4 Å²	49.4	49%	0.491	27%	0.272	S	S	.	.	H	α-helix	trans	-69.2	-35.2	178.5	-173	167.3	-54.4	0	0	112.2	D896 E897 E898 A904	D896-Q900 WeakPolarHBondContact O-CB 3.35Å; D896-Q900 PolarHBondContact O-N 3.18Å; D896-Q900 VanDerWaalsContact O-N 3.1Å; E897-Q900 PolarHBondContact O-N 3.37Å; E898-Q900 VanDerWaalsContact C-N 3.3Å; E898-Q900 PolarHBondContact O-N 2.87Å; Q900-A904 WeakPolarHBondContact O-CA 3.29Å; Q900-A904 PolarHBondContact O-N 2.86Å
901	Q	91.1	Very high	91.1	Very high	155 Å²	155	54.2 Å²	54.2	72%	0.724	29%	0.291	S	S	*	.	H	α-helix	trans	-66.3	-47.6	173.7	-68.7	173.2	30.6	0	0	112.1	E897 E898	E897-Q901 WeakPolarHBondContact O-CG 3.29Å; E897-Q901 PolarHBondContact O-N 3.34Å; E898-Q901 PolarHBondContact O-N 2.71Å
902	V	91.4	Very high	91.4	Very high	37 Å²	37	64.2 Å²	64.2	22%	0.224	33%	0.329	C	S	.	.	H	α-helix	trans	-72.5	-37.2	-175.2	171.2	0	0	0	0	112.6	Y871 E898 A925 L927	Y871-V902 HydrophobicContact CD1-CG2 3.78Å; Y871-V902 HydrophobicContact CD2-CG1 4.35Å; Y871-V902 HydrophobicContact CD2-CG2 3.77Å; Y871-V902 HydrophobicContact CE1-CG2 4.07Å; Y871-V902 HydrophobicContact CE2-CG1 4.1Å; Y871-V902 HydrophobicContact CE2-CG2 4.1Å; Y871-V902 HydrophobicContact CG-CG2 3.61Å; E898-V902 WeakPolarHBondContact O-CB 3.36Å; E898-V902 VanDerWaalsContact O-CG2 3.26Å; E898-V902 WeakPolarHBondContact O-CG2 3.15Å; E898-V902 PolarHBondContact O-N 2.84Å; V902-A925 HydrophobicContact CG1-CB 3.48Å; V902-A925 VanDerWaalsContact CG1-CB 3.48Å; V902-L927 HydrophobicContact CG1-CD1 4.36Å
903	F	93.2	Very high	91.4	Very high	8 Å²	8	64.8 Å²	64.8	4%	0.035	33%	0.33	C	S	.	.	H	α-helix	trans	-105	-6.7	-176.7	-62.7	-58.8	0	0	0	115.2	E891 L894 F899 L905 F910 L921 A925 L927	E891-F903 HydrophobicContact CB-CE2 3.89Å; E891-F903 HydrophobicContact CB-CZ 4.17Å; L894-F903 HydrophobicContact CD1-CE2 3.95Å; F899-F903 AromaticContact CD1-CD2 3.91Å; F899-F903 HydrophobicContact CD1-CD2 3.91Å; F899-F903 AromaticContact CD2-CD2 3.92Å; F899-F903 HydrophobicContact CD2-CD2 3.92Å; F899-F903 AromaticContact CD2-CE2 3.97Å; F899-F903 HydrophobicContact CD2-CE2 3.97Å; F899-F903 HydrophobicContact CE1-CB 4.42Å; F899-F903 AromaticContact CE1-CD2 3.76Å; F899-F903 HydrophobicContact CE1-CD2 3.76Å; F899-F903 HydrophobicContact CE1-CG 4.49Å; F899-F903 AromaticContact CE2-CD2 3.84Å; F899-F903 HydrophobicContact CE2-CD2 3.84Å; F899-F903 AromaticContact CE2-CE2 3.84Å; F899-F903 HydrophobicContact CE2-CE2 3.84Å; F899-F903 AromaticContact CG-CD2 3.95Å; F899-F903 HydrophobicContact CG-CD2 3.95Å; F899-F903 HydrophobicContact CG-CE2 4.42Å; F899-F903 AromaticContact CZ-CD2 3.74Å; F899-F903 HydrophobicContact CZ-CD2 3.74Å; F899-F903 HydrophobicContact CZ-CE2 4.14Å; F899-F903 WeakPolarHBondContact O-CB 3.35Å; F899-F903 WeakPolarHBondContact O-CD2 3.49Å; F899-F903 PolarHBondContact O-N 3.22Å; F903-L905 HydrophobicContact CB-CB 4.43Å; F903-L905 WeakPolarHBondContact O-CG 3.39Å; F903-L905 PolarHBondContact O-N 3.45Å; F903-L905 VanDerWaalsContact O-N 3.16Å; F903-F910 HydrophobicContact CD1-CD2 4.47Å; F903-F910 HydrophobicContact CD1-CE2 4.1Å; F903-F910 HydrophobicContact CD2-CD2 4.48Å; F903-F910 HydrophobicContact CD2-CE2 4.47Å; F903-F910 HydrophobicContact CE1-CE2 4.12Å; F903-F910 HydrophobicContact CE2-CE2 4.48Å; F903-F910 HydrophobicContact CG-CD2 4.26Å; F903-F910 HydrophobicContact CG-CE2 4.28Å; F903-F910 HydrophobicContact CZ-CE2 4.31Å; F903-L921 HydrophobicContact CD1-CB 3.91Å; F903-L921 HydrophobicContact CD1-CD2 4.4Å; F903-L921 HydrophobicContact CE1-CB 4.15Å; F903-A925 HydrophobicContact CE1-CB 3.79Å; F903-A925 HydrophobicContact CZ-CB 4.34Å; F903-L927 HydrophobicContact CZ-CD1 4.16Å
904	A	91.8	Very high	91.6	Very high	87 Å²	87	67.6 Å²	67.6	72%	0.719	35%	0.349	S	S	*	.	S	Bend	trans	52.7	27.3	-172.2	0	0	0	0	0	113.7	Q900	Q900-A904 WeakPolarHBondContact O-CA 3.29Å; Q900-A904 PolarHBondContact O-N 2.86Å
905	L	91.7	Very high	91.7	Very high	59 Å²	59	73.4 Å²	73.4	31%	0.309	38%	0.376	S	S	.	.	S	Bend	trans	-147.9	145.5	-171.5	-71.3	173.2	0	0	0	109.9	F899 F903 A909 L913 L921	F899-L905 WeakPolarHBondContact CD1-O 3.48Å; F903-L905 HydrophobicContact CB-CB 4.43Å; F903-L905 WeakPolarHBondContact O-CG 3.39Å; F903-L905 PolarHBondContact O-N 3.45Å; F903-L905 VanDerWaalsContact O-N 3.16Å; L905-A909 HydrophobicContact CB-CB 4.43Å; L905-A909 HydrophobicContact CD2-CB 4.27Å; L905-L913 HydrophobicContact CD1-CD1 3.73Å; L905-L921 HydrophobicContact CD1-CD1 3.93Å
906	S	91.9	Very high	91.7	Very high	45 Å²	45	80.7 Å²	80.7	32%	0.315	40%	0.401	S	S	.	.			trans	-67.5	154.2	168.9	70.4	0	0	0	0	111.3	T908 A909 F910	S906-T908 PolarHBondContact O-N 3.02Å; S906-T908 PolarHBondContact OG-OG1 3.01Å; S906-T908 VanDerWaalsContact OG-OG1 3.08Å; S906-A909 PolarHBondContact O-N 3.37Å; S906-A909 WeakPolarHBondContact OG-CB 3.44Å; S906-A909 PolarHBondContact OG-N 3.35Å; S906-A909 VanDerWaalsContact OG-N 3.13Å; S906-F910 PolarHBondContact O-N 3.38Å
907	R	91.6	Very high	91.9	Very high	57 Å²	57	79.8 Å²	79.8	22%	0.215	39%	0.392	C	S	.	.	H	α-helix	trans	-54.1	-37.4	175.7	-171.5	167.7	-90.3	162.2	-14	112.4	E891 L894 D896 F899 Y911	E891-R907 PolarHBondContact O-NH2 2.76Å; L894-R907 PolarHBondContact O-NH2 3.27Å; D896-R907 WeakPolarHBondContact OD1-CD 3.42Å; D896-R907 IonicContact OD1-CZ 3.71Å; D896-R907 VanDerWaalsContact OD1-CZ 3.32Å; D896-R907 IonicContact OD1-NE 3.07Å; D896-R907 PolarHBondContact OD1-NE 2.85Å; D896-R907 IonicContact OD1-NH1 2.69Å; D896-R907 PolarHBondContact OD1-NH1 2.89Å; D896-R907 IonicContact OD2-NH1 3.95Å; D896-R907 PolarHBondContact OD2-NH1 3.12Å; D896-R907 VanDerWaalsContact OD2-NH1 3.11Å; F899-R907 HydrophobicContact CD1-CB 4.18Å; F899-R907 VanDerWaalsContact CE1-CA 3.4Å; F899-R907 HydrophobicContact CE1-CB 4.02Å; F899-R907 HydrophobicContact CE2-CB 4.48Å; F899-R907 HydrophobicContact CE2-CG 4.23Å; F899-R907 HydrophobicContact CZ-CB 4.16Å; F899-R907 HydrophobicContact CZ-CG 4.22Å; R907-Y911 HydrophobicContact CG-CD2 4.06Å; R907-Y911 HydrophobicContact CG-CE2 3.83Å; R907-Y911 WeakPolarHBondContact O-CD2 3.21Å; R907-Y911 PolarHBondContact O-N 3.22Å
908	T	91.4	Very high	92	Very high	96 Å²	96	75.2 Å²	75.2	59%	0.589	37%	0.369	S	S	*	.	H	α-helix	trans	-71	-33.2	174.7	54	0	0	0	0	114	S906 R912	S906-T908 PolarHBondContact O-N 3.02Å; S906-T908 PolarHBondContact OG-OG1 3.01Å; S906-T908 VanDerWaalsContact OG-OG1 3.08Å; T908-R912 WeakPolarHBondContact O-CD 3.42Å; T908-R912 WeakPolarHBondContact O-CG 3.38Å
909	A	91.8	Very high	92	Very high	31 Å²	31	74.8 Å²	74.8	26%	0.256	37%	0.368	S	S	.	.	H	α-helix	trans	-71.6	-41.9	173.8	0	0	0	0	0	111.4	L905 S906 R912	L905-A909 HydrophobicContact CB-CB 4.43Å; L905-A909 HydrophobicContact CD2-CB 4.27Å; S906-A909 PolarHBondContact O-N 3.37Å; S906-A909 WeakPolarHBondContact OG-CB 3.44Å; S906-A909 PolarHBondContact OG-N 3.35Å; S906-A909 VanDerWaalsContact OG-N 3.13Å; A909-R912 WeakPolarHBondContact O-CB 3.49Å; A909-R912 PolarHBondContact O-N 3.32Å
910	F	93.7	Very high	92	Very high	0 Å²	0	77 Å²	77	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-58.6	-49.5	177.1	-179.9	-92.8	0	0	0	112.1	E891 F899 F903 S906 R912 L913 R918 L921 K922	E891-F910 HydrophobicContact CG-CE1 3.86Å; E891-F910 HydrophobicContact CG-CZ 4.3Å; E891-F910 WeakPolarHBondContact OE1-CE1 3.47Å; F899-F910 HydrophobicContact CE1-CB 3.78Å; F899-F910 HydrophobicContact CE1-CG 4.21Å; F899-F910 HydrophobicContact CZ-CB 3.56Å; F899-F910 AromaticContact CZ-CD1 3.8Å; F899-F910 HydrophobicContact CZ-CD1 3.8Å; F899-F910 HydrophobicContact CZ-CD2 4.1Å; F899-F910 HydrophobicContact CZ-CE1 4.46Å; F899-F910 AromaticContact CZ-CG 3.58Å; F899-F910 HydrophobicContact CZ-CG 3.58Å; F903-F910 HydrophobicContact CD1-CD2 4.47Å; F903-F910 HydrophobicContact CD1-CE2 4.1Å; F903-F910 HydrophobicContact CD2-CD2 4.48Å; F903-F910 HydrophobicContact CD2-CE2 4.47Å; F903-F910 HydrophobicContact CE1-CE2 4.12Å; F903-F910 HydrophobicContact CE2-CE2 4.48Å; F903-F910 HydrophobicContact CG-CD2 4.26Å; F903-F910 HydrophobicContact CG-CE2 4.28Å; F903-F910 HydrophobicContact CZ-CE2 4.31Å; S906-F910 PolarHBondContact O-N 3.38Å; F910-R912 PolarHBondContact O-N 3.01Å; F910-L913 VanDerWaalsContact O-CB 3.31Å; F910-L913 WeakPolarHBondContact O-CB 3.37Å; F910-L913 PolarHBondContact O-N 3.42Å; F910-R918 HydrophobicContact CD1-CG 3.98Å; F910-R918 HydrophobicContact CD2-CG 4.33Å; F910-R918 HydrophobicContact CE1-CB 4Å; F910-R918 VanDerWaalsContact CE1-CD 3.45Å; F910-R918 HydrophobicContact CE1-CG 3.73Å; F910-R918 HydrophobicContact CE2-CB 4.14Å; F910-R918 HydrophobicContact CE2-CG 4.1Å; F910-R918 HydrophobicContact CG-CG 4.27Å; F910-R918 HydrophobicContact CZ-CB 3.68Å; F910-R918 HydrophobicContact CZ-CG 3.8Å; F910-R918 VanDerWaalsContact O-CD 3.26Å; F910-R918 WeakPolarHBondContact O-CD 3.36Å; F910-R918 WeakPolarHBondContact O-CG 3.41Å; F910-L921 HydrophobicContact CD2-CD1 3.99Å; F910-L921 HydrophobicContact CE2-CB 3.94Å; F910-L921 HydrophobicContact CE2-CD1 4.08Å; F910-K922 HydrophobicContact CZ-CG 4.24Å
911	Y	92.6	Very high	92	Very high	102 Å²	102	72.8 Å²	72.8	40%	0.4	36%	0.36	S	S	.	.	H	α-helix	trans	-68.5	-13.1	179.3	-76	-63.9	0	0	0	114.8	T892 R907	T892-Y911 WeakPolarHBondContact CG2-OH 3.29Å; R907-Y911 HydrophobicContact CG-CD2 4.06Å; R907-Y911 HydrophobicContact CG-CE2 3.83Å; R907-Y911 WeakPolarHBondContact O-CD2 3.21Å; R907-Y911 PolarHBondContact O-N 3.22Å
912	R	93.7	Very high	92.1	Very high	213 Å²	213	65.8 Å²	65.8	80%	0.804	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-13	168.5	-70.7	169.3	-179.7	177.2	1	113.2	T908 A909 F910	T908-R912 WeakPolarHBondContact O-CD 3.42Å; T908-R912 WeakPolarHBondContact O-CG 3.38Å; A909-R912 WeakPolarHBondContact O-CB 3.49Å; A909-R912 PolarHBondContact O-N 3.32Å; F910-R912 PolarHBondContact O-N 3.01Å
913	L	91.1	Very high	92	Very high	51 Å²	51	69.5 Å²	69.5	27%	0.267	34%	0.337	S	S	.	.	S	Bend	trans	-78.3	144	178.1	-63.4	176.2	0	0	0	111.8	L905 F910 K917 R918 L921	L905-L913 HydrophobicContact CD1-CD1 3.73Å; F910-L913 VanDerWaalsContact O-CB 3.31Å; F910-L913 WeakPolarHBondContact O-CB 3.37Å; F910-L913 PolarHBondContact O-N 3.42Å; L913-K917 HydrophobicContact CB-CB 4.38Å; L913-K917 HydrophobicContact CD1-CG 4.17Å; L913-R918 HydrophobicContact CB-CG 3.97Å; L913-R918 PolarHBondContact O-NE 2.86Å; L913-L921 HydrophobicContact CD1-CD1 3.48Å; L913-L921 VanDerWaalsContact CD1-CD1 3.48Å
914	P	91.8	Very high	91.9	Very high	70 Å²	70	75.9 Å²	75.9	46%	0.455	36%	0.361	S	S	.	.			trans	-51.3	146	169.6	-27.5	35.5	0	0	0	112.2	W916 K917 R918	P914-W916 VanDerWaalsContact C-N 3.27Å; P914-W916 HydrophobicContact CB-CG 4.43Å; P914-W916 PolarHBondContact O-N 2.99Å; P914-K917 WeakPolarHBondContact O-CA 3.44Å; P914-K917 WeakPolarHBondContact O-CB 3.34Å; P914-K917 PolarHBondContact O-N 3.05Å; P914-R918 PolarHBondContact O-N 3.39Å
915	E	90	Very high	91.8	Very high	122 Å²	122	72 Å²	72	57%	0.57	33%	0.329	S	S	*	.	H	α-helix	trans	-55.1	-41.1	-174.5	-161.3	-155.3	127.3	0	0	112.6	K917 R918 N919	E915-K917 PolarHBondContact O-N 3.29Å; E915-R918 PolarHBondContact O-N 3.07Å; E915-N919 WeakPolarHBondContact O-CB 3.05Å; E915-N919 PolarHBondContact O-N 2.87Å; E915-N919 PolarHBondContact O-ND2 2.93Å; E915-N919 PolarHBondContact O-OD1 2.91Å; E915-N919 PolarHBondContact OE1-ND2 3.2Å
916	W	91.2	Very high	91.6	Very high	174 Å²	174	74.8 Å²	74.8	66%	0.659	34%	0.34	S	S	*	.	H	α-helix	trans	-57.9	-36.3	176.4	71.2	-99.9	0	0	0	112.8	P914 D920	P914-W916 VanDerWaalsContact C-N 3.27Å; P914-W916 HydrophobicContact CB-CG 4.43Å; P914-W916 PolarHBondContact O-N 2.99Å; W916-D920 VanDerWaalsContact O-CB 3.28Å; W916-D920 WeakPolarHBondContact O-CB 3.19Å; W916-D920 PolarHBondContact O-N 3.15Å
917	K	93.1	Very high	91.4	Very high	79 Å²	79	72.7 Å²	72.7	34%	0.343	33%	0.326	S	S	.	.	H	α-helix	trans	-79.7	-34.8	-179.3	-170	67.5	175.8	-179.7	0	111.6	L913 P914 E915 D920 L921	L913-K917 HydrophobicContact CB-CB 4.38Å; L913-K917 HydrophobicContact CD1-CG 4.17Å; P914-K917 WeakPolarHBondContact O-CA 3.44Å; P914-K917 WeakPolarHBondContact O-CB 3.34Å; P914-K917 PolarHBondContact O-N 3.05Å; E915-K917 PolarHBondContact O-N 3.29Å; K917-D920 PolarHBondContact O-N 3.46Å; K917-L921 WeakPolarHBondContact O-CG 3.38Å; K917-L921 PolarHBondContact O-N 2.62Å
918	R	93.1	Very high	91	Very high	53 Å²	53	76.8 Å²	76.8	20%	0.2	35%	0.345	C	S	.	.	H	α-helix	trans	-61.6	-50.6	167.8	-72.9	-167.7	-78.4	135.4	0.2	111	F910 L913 P914 E915 D920 L921 K922	F910-R918 HydrophobicContact CD1-CG 3.98Å; F910-R918 HydrophobicContact CD2-CG 4.33Å; F910-R918 HydrophobicContact CE1-CB 4Å; F910-R918 VanDerWaalsContact CE1-CD 3.45Å; F910-R918 HydrophobicContact CE1-CG 3.73Å; F910-R918 HydrophobicContact CE2-CB 4.14Å; F910-R918 HydrophobicContact CE2-CG 4.1Å; F910-R918 HydrophobicContact CG-CG 4.27Å; F910-R918 HydrophobicContact CZ-CB 3.68Å; F910-R918 HydrophobicContact CZ-CG 3.8Å; F910-R918 VanDerWaalsContact O-CD 3.26Å; F910-R918 WeakPolarHBondContact O-CD 3.36Å; F910-R918 WeakPolarHBondContact O-CG 3.41Å; L913-R918 HydrophobicContact CB-CG 3.97Å; L913-R918 PolarHBondContact O-NE 2.86Å; P914-R918 PolarHBondContact O-N 3.39Å; E915-R918 PolarHBondContact O-N 3.07Å; R918-D920 PolarHBondContact O-N 3.19Å; R918-L921 WeakPolarHBondContact O-CB 3.47Å; R918-L921 PolarHBondContact O-N 2.81Å; R918-L921 VanDerWaalsContact O-N 3.11Å; R918-K922 WeakPolarHBondContact O-CG 3.21Å; R918-K922 PolarHBondContact O-N 3.23Å
919	N	91.6	Very high	90.9	Very high	27 Å²	27	75.8 Å²	75.8	14%	0.144	33%	0.333	C	S	.	.	H	α-helix	trans	-62.1	-33.4	178.5	-66	-9.8	0	0	0	111.8	E915 K922 R923 F928	E915-N919 WeakPolarHBondContact O-CB 3.05Å; E915-N919 PolarHBondContact O-N 2.87Å; E915-N919 PolarHBondContact O-ND2 2.93Å; E915-N919 PolarHBondContact O-OD1 2.91Å; E915-N919 PolarHBondContact OE1-ND2 3.2Å; N919-K922 PolarHBondContact O-N 3.39Å; N919-R923 WeakPolarHBondContact O-CG 3.34Å; N919-R923 PolarHBondContact O-N 3Å; N919-F928 HydrophobicContact CB-CD2 4.03Å; N919-F928 HydrophobicContact CB-CE2 3.69Å
920	D	92.3	Very high	90.9	Very high	45 Å²	45	78.2 Å²	78.2	24%	0.241	34%	0.337	C	S	.	.	H	α-helix	trans	-72.4	-34.6	174	-162.4	68.2	0	0	0	113.9	W916 K917 R918 R923 R924	W916-D920 VanDerWaalsContact O-CB 3.28Å; W916-D920 WeakPolarHBondContact O-CB 3.19Å; W916-D920 PolarHBondContact O-N 3.15Å; K917-D920 PolarHBondContact O-N 3.46Å; R918-D920 PolarHBondContact O-N 3.19Å; D920-R923 VanDerWaalsContact CA-NH2 3.34Å; D920-R923 IonicContact OD1-CZ 3.71Å; D920-R923 IonicContact OD1-NE 3.78Å; D920-R923 IonicContact OD1-NH2 2.8Å; D920-R923 PolarHBondContact OD1-NH2 2.93Å; D920-R924 PolarHBondContact O-N 2.84Å; D920-R924 VanDerWaalsContact O-N 3.09Å; D920-R924 PolarHBondContact O-NE 2.98Å; D920-R924 IonicContact OD2-CZ 3.06Å; D920-R924 VanDerWaalsContact OD2-CZ 3.24Å; D920-R924 IonicContact OD2-NE 3.1Å; D920-R924 PolarHBondContact OD2-NE 2.88Å; D920-R924 IonicContact OD2-NH2 3.5Å; D920-R924 PolarHBondContact OD2-NH2 2.92Å
921	L	92.8	Very high	90.7	Very high	17 Å²	17	82.5 Å²	82.5	9%	0.089	36%	0.356	C	S	.	.	H	α-helix	trans	-64	-46.2	168.1	-79.9	159.7	0	0	0	111	F903 L905 F910 L913 K917 R918 R923 R924 A925	F903-L921 HydrophobicContact CD1-CB 3.91Å; F903-L921 HydrophobicContact CD1-CD2 4.4Å; F903-L921 HydrophobicContact CE1-CB 4.15Å; L905-L921 HydrophobicContact CD1-CD1 3.93Å; F910-L921 HydrophobicContact CD2-CD1 3.99Å; F910-L921 HydrophobicContact CE2-CB 3.94Å; F910-L921 HydrophobicContact CE2-CD1 4.08Å; L913-L921 HydrophobicContact CD1-CD1 3.48Å; L913-L921 VanDerWaalsContact CD1-CD1 3.48Å; K917-L921 WeakPolarHBondContact O-CG 3.38Å; K917-L921 PolarHBondContact O-N 2.62Å; R918-L921 WeakPolarHBondContact O-CB 3.47Å; R918-L921 PolarHBondContact O-N 2.81Å; R918-L921 VanDerWaalsContact O-N 3.11Å; L921-R923 PolarHBondContact O-N 3.17Å; L921-R924 PolarHBondContact O-N 2.77Å; L921-A925 WeakPolarHBondContact O-CB 3.19Å; L921-A925 PolarHBondContact O-N 3Å
922	K	91.7	Very high	90.6	Very high	9 Å²	9	81.4 Å²	81.4	4%	0.039	35%	0.353	C	S	.	.	H	α-helix	trans	-57.4	-45.7	175	-66.4	-170.9	-156.9	-157.2	0	112.4	T888 E891 F910 R918 N919 R924 A925 Q926 L927 F928	T888-K922 PolarHBondContact O-NZ 3.07Å; E891-K922 VanDerWaalsContact CD-CE 3.41Å; E891-K922 WeakPolarHBondContact OE1-CE 3.24Å; E891-K922 IonicContact OE1-NZ 3.72Å; E891-K922 PolarHBondContact OE1-NZ 3.03Å; E891-K922 VanDerWaalsContact OE2-CE 3.28Å; E891-K922 WeakPolarHBondContact OE2-CE 3.25Å; E891-K922 IonicContact OE2-NZ 3.93Å; E891-K922 PolarHBondContact OE2-NZ 2.9Å; F910-K922 HydrophobicContact CZ-CG 4.24Å; R918-K922 WeakPolarHBondContact O-CG 3.21Å; R918-K922 PolarHBondContact O-N 3.23Å; N919-K922 PolarHBondContact O-N 3.39Å; K922-R924 PolarHBondContact O-N 3.45Å; K922-A925 CarbonylContact O-C 3.6Å; K922-A925 WeakPolarHBondContact O-CA 3.36Å; K922-A925 PolarHBondContact O-N 3.15Å; K922-A925 VanDerWaalsContact O-N 3.15Å; K922-Q926 PolarHBondContact O-N 2.68Å; K922-L927 PolarHBondContact O-N 2.66Å; K922-F928 HydrophobicContact CB-CB 3.85Å; K922-F928 HydrophobicContact CB-CD2 4.3Å
923	R	90.2	Very high	90.4	Very high	115 Å²	115	73.1 Å²	73.1	43%	0.434	33%	0.325	S	S	.	.	H	α-helix	trans	-60	-44.4	175	-77.7	-171.9	-59.8	-90	1.6	112.5	N919 D920 L921 A925 Q926 F928	N919-R923 WeakPolarHBondContact O-CG 3.34Å; N919-R923 PolarHBondContact O-N 3Å; D920-R923 VanDerWaalsContact CA-NH2 3.34Å; D920-R923 IonicContact OD1-CZ 3.71Å; D920-R923 IonicContact OD1-NE 3.78Å; D920-R923 IonicContact OD1-NH2 2.8Å; D920-R923 PolarHBondContact OD1-NH2 2.93Å; L921-R923 PolarHBondContact O-N 3.17Å; R923-A925 PolarHBondContact O-N 3.35Å; R923-Q926 PolarHBondContact O-N 2.82Å; R923-F928 HydrophobicContact CB-CB 4.41Å; R923-F928 HydrophobicContact CG-CB 3.65Å; R923-F928 HydrophobicContact CG-CD1 3.7Å; R923-F928 HydrophobicContact CG-CD2 4.26Å; R923-F928 HydrophobicContact CG-CE1 4.43Å; R923-F928 HydrophobicContact CG-CG 3.59Å
924	R	90.7	Very high	90.4	Very high	141 Å²	141	74.6 Å²	74.6	53%	0.532	33%	0.329	S	S	.	.	H	α-helix	trans	-66	-25.7	176.6	-76.5	-177.3	-84.5	102.3	3	112.9	D920 L921 K922	D920-R924 PolarHBondContact O-N 2.84Å; D920-R924 VanDerWaalsContact O-N 3.09Å; D920-R924 PolarHBondContact O-NE 2.98Å; D920-R924 IonicContact OD2-CZ 3.06Å; D920-R924 VanDerWaalsContact OD2-CZ 3.24Å; D920-R924 IonicContact OD2-NE 3.1Å; D920-R924 PolarHBondContact OD2-NE 2.88Å; D920-R924 IonicContact OD2-NH2 3.5Å; D920-R924 PolarHBondContact OD2-NH2 2.92Å; L921-R924 PolarHBondContact O-N 2.77Å; K922-R924 PolarHBondContact O-N 3.45Å
925	A	89.3	Confident	90.3	Very high	5 Å²	5	74.9 Å²	74.9	4%	0.041	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-3.1	170.1	0	0	0	0	0	114.7	Y871 V902 F903 L921 K922 R923 L927	Y871-A925 WeakPolarHBondContact CE2-O 3.1Å; Y871-A925 PolarHBondContact OH-O 2.71Å; V902-A925 HydrophobicContact CG1-CB 3.48Å; V902-A925 VanDerWaalsContact CG1-CB 3.48Å; F903-A925 HydrophobicContact CE1-CB 3.79Å; F903-A925 HydrophobicContact CZ-CB 4.34Å; L921-A925 WeakPolarHBondContact O-CB 3.19Å; L921-A925 PolarHBondContact O-N 3Å; K922-A925 CarbonylContact O-C 3.6Å; K922-A925 WeakPolarHBondContact O-CA 3.36Å; K922-A925 PolarHBondContact O-N 3.15Å; K922-A925 VanDerWaalsContact O-N 3.15Å; R923-A925 PolarHBondContact O-N 3.35Å; A925-L927 HydrophobicContact CB-CB 4.46Å; A925-L927 HydrophobicContact CB-CD1 4.13Å; A925-L927 HydrophobicContact CB-CG 4.1Å; A925-L927 PolarHBondContact O-N 2.72Å
926	Q	87.9	Confident	90.3	Very high	119 Å²	119	71.3 Å²	71.3	56%	0.556	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	59	31.2	-171.7	-55.4	-178.8	-22.8	0	0	114.3	K875 K922 R923	K875-Q926 HydrophobicContact CG-CB 4.33Å; K922-Q926 PolarHBondContact O-N 2.68Å; R923-Q926 PolarHBondContact O-N 2.82Å
927	L	87.2	Confident	90.3	Very high	1 Å²	1	62.8 Å²	62.8	1%	0.005	27%	0.271	C	S	.	.			trans	-116	35.3	178.7	-58.8	177.9	0	0	0	112.4	Y871 L874 V890 L894 V902 F903 K922 A925	Y871-L927 HydrophobicContact CD2-CD1 4.11Å; Y871-L927 HydrophobicContact CD2-CD2 4.28Å; Y871-L927 HydrophobicContact CD2-CG 4.44Å; Y871-L927 HydrophobicContact CE2-CD1 4.18Å; Y871-L927 HydrophobicContact CE2-CD2 4.28Å; Y871-L927 HydrophobicContact CE2-CG 4.19Å; L874-L927 HydrophobicContact CB-CD2 3.66Å; V890-L927 HydrophobicContact CG1-CB 4.37Å; V890-L927 HydrophobicContact CG1-CD2 4.16Å; L894-L927 HydrophobicContact CD1-CD1 3.92Å; V902-L927 HydrophobicContact CG1-CD1 4.36Å; F903-L927 HydrophobicContact CZ-CD1 4.16Å; K922-L927 PolarHBondContact O-N 2.66Å; A925-L927 HydrophobicContact CB-CB 4.46Å; A925-L927 HydrophobicContact CB-CD1 4.13Å; A925-L927 HydrophobicContact CB-CG 4.1Å; A925-L927 PolarHBondContact O-N 2.72Å
928	F	83.3	Confident	90	Very high	142 Å²	142	61.3 Å²	61.3	62%	0.623	26%	0.264	S	S	*	.			trans	-130.9	0	-179.7	-176.9	-84.1	0	0	0	110.1	N919 K922 R923	N919-F928 HydrophobicContact CB-CD2 4.03Å; N919-F928 HydrophobicContact CB-CE2 3.69Å; K922-F928 HydrophobicContact CB-CB 3.85Å; K922-F928 HydrophobicContact CB-CD2 4.3Å; R923-F928 HydrophobicContact CB-CB 4.41Å; R923-F928 HydrophobicContact CG-CB 3.65Å; R923-F928 HydrophobicContact CG-CD1 3.7Å; R923-F928 HydrophobicContact CG-CD2 4.26Å; R923-F928 HydrophobicContact CG-CE1 4.43Å; R923-F928 HydrophobicContact CG-CG 3.59Å

Retrieved 928 of 928 residues in 215.3 ms (Link to these results)

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