A0A077YXT3_TRITR Loading...

AMP deaminase 2

AMP deaminase plays a critical role in energy metabolism. Catalyzes the deamination of AMP to IMP and plays an important role in the purine nucleotide cycle.

AlphaFold DB , UniProt , Accession A0A077YXT3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 963 aa.

						>A0A077YXT3_TRITR|A0A077YXT3
MNSEEKGLSIVRLDESRICYLLPYELREEVPYEAKPLIVKEESLGYDQVEELAGEDAALLCAGRRTRIVRPVKEEELVKEVFSNSKVQNAVRRSEDRVRRQAKGGYPHSGIFATAVDRGKPAIEIDIEERQPRCVNVLLDCFNHVGEVQLCYTWQNGAMFMERKCLDKNKFEMKMTKPPGFDSEPNLEALSKRRPSTLLPHDVQVLPALNNQLSSPYEMSSVPIERQENLKALSQHMNENNRNKAENAQPFVDANLASRCTESQTSGVVAGSFGSLSVPLYRPDADINYQRVAISGEEVSGVPLEDLRSASEEVIKALRIREKYMLRASMQFPATVKKFLNGEFASGIEERKVPLSRASYDMVGYHPPEEMLEKRPFDCEIPGSAGFHVSSSKGIVEVRTSKDGPILSDLKQLFTPFDEFVADFLYLLTTIMNGPLKSFCHRRLCYLHSKFQLHILLNDLREMTEQKSVPHRDFYNIRKVDTHVHAASSMNQKHLLRFVKKKVRTEGDRVVCAVDSRHLTLNEVFKGLGVTPYDLSVDTLDVHADRNTFHRFDKFNSKYNPIGQSILRDIFMKTDNYINGEFFAEILKEVMADLAESKYQHAEFRLSIYGRRRDEWDRLAEWAIKNEVHSHHVRWLVQVPRLYDIYQSKNTFRNFQEMIDNIFVPLFEVTNDPASHPQLHRFLRFVVGLDSVDDESKTEQVQIDGRTVTADQWVDSENPPYAYYLYYMYANLATLNRFRSMRGFNTFSLRPHCGEAGAVSHLVIGFMFSESIAHGLLLRKVPVLQYLYYLCQVGIAMSPLSNNGLFLAYHRNPLPDYLAKGLNISLSTDDPLQFHFTKEPLMEEYSIAAQVWKLSNSDMCEISRNGVLQSGFPHEVRMKVHWLGPNYLEPGVPGNDVARTNVPDVRVSYRHETLVNELCTIFNANPPPVDDECVSSSSVSNVKNSSDPRRRLYESFDRAVLFQ
					

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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	47.6	Very low	59.5	Low	64 Å²	64	56.7 Å²	56.7	32%	0.315	30%	0.295	S	S	.	.				0	138.5	0	-166.5	170	177.9	0	0	106.7	I10 D56 L60 S557	M1-I10 HydrophobicContact CB-CD1 4.47Å; M1-I10 PolarHBondContact N-O 2.82Å; M1-I10 PolarHBondContact O-N 3.33Å; M1-D56 HydrophobicContact CE-CB 3.61Å; M1-D56 HydrophobicContact SD-CB 4.27Å; M1-L60 HydrophobicContact SD-CD1 4.16Å; M1-S557 WeakPolarHBondContact CE-OG 3.26Å; M1-S557 PolarHBondContact SD-OG 3.06Å; M1-S557 VanDerWaalsContact SD-OG 3.41Å
2	N	44.8	Very low	60.4	Low	93 Å²	93	59.8 Å²	59.8	50%	0.497	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	106.4	-172.5	-66.1	1.4	0	0	0	109	Y24	N2-Y24 HydrophobicContact CB-CE2 3.7Å
3	S	48.8	Very low	60.6	Low	25 Å²	25	57.8 Å²	57.8	18%	0.175	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	82.6	168.4	52.9	0	0	0	0	109.4	E5 K6 G7 L8	S3-E5 PolarHBondContact O-N 3.15Å; S3-K6 PolarHBondContact O-N 3.2Å; S3-G7 PolarHBondContact O-N 3.32Å; S3-G7 VanDerWaalsContact O-N 3.07Å; S3-L8 PolarHBondContact N-O 2.97Å; S3-L8 PolarHBondContact OG-O 3.21Å
4	E	48	Very low	60.5	Low	139 Å²	139	60.9 Å²	60.9	65%	0.65	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-56.5	-33.5	-179.4	-72	-162.4	138.4	0	0	112.3	K6 Y24	E4-K6 VanDerWaalsContact C-N 3.33Å; E4-K6 PolarHBondContact O-N 3.24Å; E4-Y24 HydrophobicContact CG-CD1 4.46Å; E4-Y24 HydrophobicContact CG-CE1 3.64Å; E4-Y24 HydrophobicContact CG-CE2 4.2Å; E4-Y24 VanDerWaalsContact CG-CZ 3.48Å; E4-Y24 WeakPolarHBondContact CG-OH 3.38Å; E4-Y24 VanDerWaalsContact OE1-CE1 3.29Å; E4-Y24 WeakPolarHBondContact OE1-CE1 3.39Å; E4-Y24 VanDerWaalsContact OE1-CZ 3.24Å; E4-Y24 PolarHBondContact OE1-OH 2.89Å
5	E	53.9	Low	60.4	Low	104 Å²	104	69.6 Å²	69.6	49%	0.486	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-68.7	-23.2	177	-77	-167.6	146.8	0	0	115.4	S3 L528 Q564	S3-E5 PolarHBondContact O-N 3.15Å; E5-L528 WeakPolarHBondContact OE1-CD2 3.12Å; E5-Q564 PolarHBondContact OE2-NE2 2.74Å; E5-Q564 PolarHBondContact OE2-OE1 3.44Å
6	K	60.9	Low	60.6	Low	106 Å²	106	67.1 Å²	67.1	46%	0.461	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-113.9	3.8	-179.3	-63.4	-164.6	178.8	179.9	0	113.5	S3 E4 L8 E51 L52	S3-K6 PolarHBondContact O-N 3.2Å; E4-K6 VanDerWaalsContact C-N 3.33Å; E4-K6 PolarHBondContact O-N 3.24Å; K6-L8 VanDerWaalsContact C-N 3.26Å; K6-L8 PolarHBondContact O-N 3.44Å; K6-E51 PolarHBondContact NZ-O 2.83Å; K6-L52 WeakPolarHBondContact CD-O 3.45Å
7	G	67.5	Low	61.3	Low	29 Å²	29	70.4 Å²	70.4	30%	0.299	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.6	28.3	174.9	0	0	0	0	0	113.9	S3 P23 Y24	S3-G7 PolarHBondContact O-N 3.32Å; S3-G7 VanDerWaalsContact O-N 3.07Å; G7-P23 CarbonylContact O-C 3.43Å; G7-P23 WeakPolarHBondContact O-CA 3.44Å; G7-Y24 PolarHBondContact O-N 2.84Å
8	L	69.1	Low	62	Low	24 Å²	24	67.4 Å²	67.4	13%	0.126	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	150.9	-177.5	-68.7	171.1	0	0	0	112.7	S3 K6 L21 L22	S3-L8 PolarHBondContact N-O 2.97Å; S3-L8 PolarHBondContact OG-O 3.21Å; K6-L8 VanDerWaalsContact C-N 3.26Å; K6-L8 PolarHBondContact O-N 3.44Å; L8-L21 HydrophobicContact CB-CD2 4.43Å; L8-L21 HydrophobicContact CD1-CD2 4.24Å; L8-L22 CarbonylContact C-O 3.41Å; L8-L22 VanDerWaalsContact CA-O 3.27Å; L8-L22 WeakPolarHBondContact CA-O 3.23Å; L8-L22 WeakPolarHBondContact CD2-O 3.3Å
9	S	69.2	Low	62.8	Low	5 Å²	5	63.9 Å²	63.9	4%	0.035	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	137.4	175.5	-178.3	0	0	0	0	109.9	L22	S9-L22 PolarHBondContact N-O 2.58Å; S9-L22 PolarHBondContact O-N 2.73Å
10	I	72.4	Confident	63.7	Low	13 Å²	13	62.1 Å²	62.1	7%	0.067	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	122.1	-175.2	-55.1	168.9	0	0	0	110.8	M1 Y20 L21 A57 L60	M1-I10 HydrophobicContact CB-CD1 4.47Å; M1-I10 PolarHBondContact N-O 2.82Å; M1-I10 PolarHBondContact O-N 3.33Å; I10-Y20 WeakPolarHBondContact CA-O 3.31Å; I10-L21 HydrophobicContact CD1-CD2 4.34Å; I10-L21 HydrophobicContact CG1-CD2 3.79Å; I10-A57 HydrophobicContact CD1-CB 3.29Å; I10-L60 HydrophobicContact CB-CD2 4.33Å; I10-L60 HydrophobicContact CG2-CD2 3.63Å
11	V	71.9	Confident	64.4	Low	22 Å²	22	59.1 Å²	59.1	13%	0.133	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	126.1	174.9	178.1	0	0	0	0	110.4	Y20 L22	V11-Y20 PolarHBondContact N-O 2.98Å; V11-Y20 PolarHBondContact O-N 2.69Å; V11-L22 HydrophobicContact CB-CD1 3.94Å; V11-L22 HydrophobicContact CG2-CD1 3.5Å; V11-L22 VanDerWaalsContact CG2-CD1 3.5Å
12	R	70.4	Confident	65.7	Low	93 Å²	93	56.2 Å²	56.2	35%	0.351	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	127.8	-180	175.1	177.2	149.2	159.9	-5.6	109.2	D14 R64	R12-D14 IonicContact CZ-OD1 3.23Å; R12-D14 VanDerWaalsContact CZ-OD1 3.26Å; R12-D14 IonicContact NE-OD1 3.64Å; R12-D14 PolarHBondContact NE-OD1 3.05Å; R12-D14 IonicContact NH2-OD1 2.72Å; R12-D14 PolarHBondContact NH2-OD1 2.79Å; R12-R64 VanDerWaalsContact CZ-NH2 3.33Å; R12-R64 VanDerWaalsContact NE-CZ 3.29Å
13	L	64	Low	66.9	Low	35 Å²	35	53.6 Å²	53.6	18%	0.183	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	119.8	168.9	-64.8	-173.7	0	0	0	108.9	S16 I18 Y20 R64	L13-S16 WeakPolarHBondContact CB-OG 3.25Å; L13-I18 PolarHBondContact N-O 2.94Å; L13-Y20 HydrophobicContact CD1-CE2 3.78Å; L13-Y20 HydrophobicContact CG-CD2 4.43Å; L13-Y20 HydrophobicContact CG-CE2 4.11Å; L13-R64 PolarHBondContact O-NH1 3.48Å
14	D	58.9	Low	67.8	Low	101 Å²	101	54.1 Å²	54.1	54%	0.54	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-32.8	-173.1	-74.8	-52.5	0	0	0	113.4	R12 S16 R64	R12-D14 IonicContact CZ-OD1 3.23Å; R12-D14 VanDerWaalsContact CZ-OD1 3.26Å; R12-D14 IonicContact NE-OD1 3.64Å; R12-D14 PolarHBondContact NE-OD1 3.05Å; R12-D14 IonicContact NH2-OD1 2.72Å; R12-D14 PolarHBondContact NH2-OD1 2.79Å; D14-S16 PolarHBondContact O-N 3.22Å; D14-R64 IonicContact OD1-NH2 3.67Å; D14-R64 PolarHBondContact OD1-NH2 2.95Å
15	E	59	Low	68.7	Low	191 Å²	191	54.8 Å²	54.8	89%	0.893	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-24.5	-177.9	-60.8	-171.7	170.4	0	0	114.2
16	S	63.5	Low	69.2	Low	29 Å²	29	51.7 Å²	51.7	20%	0.203	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	-1.9	-167.2	63.4	0	0	0	0	116.4	L13 D14 I18	L13-S16 WeakPolarHBondContact CB-OG 3.25Å; D14-S16 PolarHBondContact O-N 3.22Å; S16-I18 PolarHBondContact O-N 3.34Å
17	R	72.9	Confident	69.2	Low	123 Å²	123	52 Å²	52	46%	0.464	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	31.3	-169.6	-63.5	-167.9	-179.1	-167.2	2.5	113.8	R64 R65	R17-R64 WeakPolarHBondContact O-CA 3.25Å; R17-R64 WeakPolarHBondContact O-CB 3.36Å; R17-R65 PolarHBondContact O-N 3.18Å
18	I	72.7	Confident	68.8	Low	18 Å²	18	58.5 Å²	58.5	9%	0.092	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	144.3	176.9	-65	168.6	0	0	0	110.5	L13 S16 Y20 R64 R65	L13-I18 PolarHBondContact N-O 2.94Å; S16-I18 PolarHBondContact O-N 3.34Å; I18-Y20 HydrophobicContact CB-CE2 4.37Å; I18-Y20 HydrophobicContact CG2-CD1 4.17Å; I18-Y20 HydrophobicContact CG2-CD2 4Å; I18-Y20 HydrophobicContact CG2-CE1 3.82Å; I18-Y20 HydrophobicContact CG2-CE2 3.6Å; I18-Y20 HydrophobicContact CG2-CG 4.28Å; I18-R64 PolarHBondContact O-NH1 3.44Å; I18-R65 WeakPolarHBondContact CA-O 3.35Å; I18-R65 WeakPolarHBondContact CG2-O 3.35Å
19	C	78.7	Confident	68.3	Low	0 Å²	0	61 Å²	61	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	134.5	168.4	-145	0	0	0	0	108.6	C61 R64 R65 T66 R67	C19-C61 HydrophobicContact CB-CB 3.64Å; C19-C61 WeakPolarHBondContact CB-SG 3.46Å; C19-C61 WeakPolarHBondContact SG-CA 3.49Å; C19-C61 WeakPolarHBondContact SG-CB 3.22Å; C19-C61 CovalentContact SG-SG 2.05Å; C19-C61 PolarHBondContact SG-SG 2.91Å; C19-R64 HydrophobicContact CB-CB 4.25Å; C19-R65 PolarHBondContact N-O 2.98Å; C19-T66 HydrophobicContact CB-CG2 4.13Å; C19-T66 CarbonylContact O-C 3.55Å; C19-T66 VanDerWaalsContact O-CA 3.31Å; C19-T66 WeakPolarHBondContact O-CA 3.46Å; C19-R67 PolarHBondContact O-N 3.18Å
20	Y	80.8	Confident	67.6	Low	27 Å²	27	63.6 Å²	63.6	11%	0.106	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	127.9	179.1	-69.6	-71.7	0	0	0	111.1	I10 V11 L13 I18 L37 R67 V69	I10-Y20 WeakPolarHBondContact CA-O 3.31Å; V11-Y20 PolarHBondContact N-O 2.98Å; V11-Y20 PolarHBondContact O-N 2.69Å; L13-Y20 HydrophobicContact CD1-CE2 3.78Å; L13-Y20 HydrophobicContact CG-CD2 4.43Å; L13-Y20 HydrophobicContact CG-CE2 4.11Å; I18-Y20 HydrophobicContact CB-CE2 4.37Å; I18-Y20 HydrophobicContact CG2-CD1 4.17Å; I18-Y20 HydrophobicContact CG2-CD2 4Å; I18-Y20 HydrophobicContact CG2-CE1 3.82Å; I18-Y20 HydrophobicContact CG2-CE2 3.6Å; I18-Y20 HydrophobicContact CG2-CG 4.28Å; Y20-L37 HydrophobicContact CD1-CD1 4.47Å; Y20-L37 HydrophobicContact CE1-CD1 4Å; Y20-R67 WeakPolarHBondContact CA-O 3.33Å; Y20-R67 HydrophobicContact CD1-CB 4.02Å; Y20-R67 HydrophobicContact CE1-CB 4.21Å; Y20-V69 HydrophobicContact CD1-CB 4.19Å; Y20-V69 HydrophobicContact CD1-CG1 3.59Å; Y20-V69 HydrophobicContact CD1-CG2 3.49Å; Y20-V69 VanDerWaalsContact CD1-CG2 3.49Å; Y20-V69 HydrophobicContact CE1-CG1 3.76Å; Y20-V69 HydrophobicContact CE1-CG2 4.38Å; Y20-V69 HydrophobicContact CG-CG2 4Å
21	L	77.2	Confident	66.7	Low	0 Å²	0	63.2 Å²	63.2	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	117.3	167.1	-73	148.3	0	0	0	108.1	L8 I10 L44 V49 A53 T66 R67 I68 V69	L8-L21 HydrophobicContact CB-CD2 4.43Å; L8-L21 HydrophobicContact CD1-CD2 4.24Å; I10-L21 HydrophobicContact CD1-CD2 4.34Å; I10-L21 HydrophobicContact CG1-CD2 3.79Å; L21-L44 HydrophobicContact CD1-CD1 3.69Å; L21-V49 HydrophobicContact CD1-CG1 4.4Å; L21-V49 HydrophobicContact CD1-CG2 4.31Å; L21-A53 HydrophobicContact CD2-CB 3.83Å; L21-T66 HydrophobicContact CD1-CG2 3.52Å; L21-T66 HydrophobicContact CG-CG2 4.24Å; L21-R67 PolarHBondContact N-O 3.36Å; L21-I68 HydrophobicContact CB-CG1 4.15Å; L21-I68 HydrophobicContact CD1-CG1 4.3Å; L21-I68 WeakPolarHBondContact O-CA 3.29Å; L21-V69 PolarHBondContact O-N 3.43Å
22	L	74.6	Confident	65.7	Low	3 Å²	3	70.2 Å²	70.2	2%	0.016	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	150.4	-179.5	-67.3	144.7	0	0	0	109	L8 S9 V11 P31 V69	L8-L22 CarbonylContact C-O 3.41Å; L8-L22 VanDerWaalsContact CA-O 3.27Å; L8-L22 WeakPolarHBondContact CA-O 3.23Å; L8-L22 WeakPolarHBondContact CD2-O 3.3Å; S9-L22 PolarHBondContact N-O 2.58Å; S9-L22 PolarHBondContact O-N 2.73Å; V11-L22 HydrophobicContact CB-CD1 3.94Å; V11-L22 HydrophobicContact CG2-CD1 3.5Å; V11-L22 VanDerWaalsContact CG2-CD1 3.5Å; L22-P31 HydrophobicContact CD1-CG 4.14Å; L22-P31 HydrophobicContact CD2-CG 4.41Å; L22-V69 HydrophobicContact CD2-CB 4.5Å; L22-V69 HydrophobicContact CD2-CG2 3.58Å; L22-V69 HydrophobicContact CG-CG2 3.83Å
23	P	71.1	Confident	64.6	Low	39 Å²	39	73.5 Å²	73.5	25%	0.253	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.2	142.6	164.9	-24.2	33.5	0	0	0	112.1	G7 E25 L26 V69	G7-P23 CarbonylContact O-C 3.43Å; G7-P23 WeakPolarHBondContact O-CA 3.44Å; P23-E25 WeakPolarHBondContact CB-OE2 3.46Å; P23-E25 PolarHBondContact O-N 3.46Å; P23-L26 HydrophobicContact CB-CD1 4.13Å; P23-L26 HydrophobicContact CG-CD1 4.07Å; P23-L26 WeakPolarHBondContact O-CB 3.26Å; P23-L26 PolarHBondContact O-N 2.96Å; P23-V69 WeakPolarHBondContact CD-O 3.22Å
24	Y	66.9	Low	63.6	Low	35 Å²	35	75.6 Å²	75.6	14%	0.137	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-60.2	-31	-171.6	-179.4	-124.2	0	0	0	113.7	N2 E4 G7 L26 R27	N2-Y24 HydrophobicContact CB-CE2 3.7Å; E4-Y24 HydrophobicContact CG-CD1 4.46Å; E4-Y24 HydrophobicContact CG-CE1 3.64Å; E4-Y24 HydrophobicContact CG-CE2 4.2Å; E4-Y24 VanDerWaalsContact CG-CZ 3.48Å; E4-Y24 WeakPolarHBondContact CG-OH 3.38Å; E4-Y24 VanDerWaalsContact OE1-CE1 3.29Å; E4-Y24 WeakPolarHBondContact OE1-CE1 3.39Å; E4-Y24 VanDerWaalsContact OE1-CZ 3.24Å; E4-Y24 PolarHBondContact OE1-OH 2.89Å; G7-Y24 PolarHBondContact O-N 2.84Å; Y24-L26 PolarHBondContact O-N 2.77Å; Y24-L26 VanDerWaalsContact O-N 3.11Å; Y24-R27 WeakPolarHBondContact O-CB 3.38Å; Y24-R27 WeakPolarHBondContact O-CG 3.4Å; Y24-R27 PolarHBondContact O-N 3.26Å; Y24-R27 PolarHBondContact OH-NH1 3.03Å
25	E	67	Low	63.2	Low	154 Å²	154	76.1 Å²	76.1	72%	0.72	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-63.2	-17.4	177.9	-50.4	81.1	-177.6	0	0	112.6	P23	P23-E25 WeakPolarHBondContact CB-OE2 3.46Å; P23-E25 PolarHBondContact O-N 3.46Å
26	L	65.3	Low	62.7	Low	39 Å²	39	70.7 Å²	70.7	20%	0.204	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-107.5	13.1	-174.4	-60.6	166.4	0	0	0	112.9	P23 Y24 E28 E29 P71	P23-L26 HydrophobicContact CB-CD1 4.13Å; P23-L26 HydrophobicContact CG-CD1 4.07Å; P23-L26 WeakPolarHBondContact O-CB 3.26Å; P23-L26 PolarHBondContact O-N 2.96Å; Y24-L26 PolarHBondContact O-N 2.77Å; Y24-L26 VanDerWaalsContact O-N 3.11Å; L26-E28 PolarHBondContact O-N 3.34Å; L26-E29 PolarHBondContact O-N 2.74Å; L26-P71 HydrophobicContact CD1-CG 3.55Å; L26-P71 HydrophobicContact CD2-CG 3.97Å; L26-P71 HydrophobicContact CG-CG 4.37Å
27	R	59.8	Low	62.5	Low	112 Å²	112	71.3 Å²	71.3	42%	0.423	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-21.9	-176.4	68.9	-168.8	-175.9	-141.9	-1.9	115.6	Y24	Y24-R27 WeakPolarHBondContact O-CB 3.38Å; Y24-R27 WeakPolarHBondContact O-CG 3.4Å; Y24-R27 PolarHBondContact O-N 3.26Å; Y24-R27 PolarHBondContact OH-NH1 3.03Å
28	E	59.7	Low	61.8	Low	165 Å²	165	68.2 Å²	68.2	77%	0.771	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-13.3	177.5	-62	-172.7	-169.4	0	0	113.1	L26 V30	L26-E28 PolarHBondContact O-N 3.34Å; E28-V30 PolarHBondContact O-N 3.22Å
29	E	58.7	Low	61.2	Low	77 Å²	77	69.6 Å²	69.6	36%	0.36	35%	0.345	S	S	.	.			trans	-82.8	79.7	175.4	-69.9	-150.3	-128.5	0	0	111.4	L26 P31 K35	L26-E29 PolarHBondContact O-N 2.74Å; E29-P31 VanDerWaalsContact O-CD 3.26Å; E29-P31 WeakPolarHBondContact O-CD 3.11Å; E29-K35 IonicContact OE2-NZ 3.79Å; E29-K35 PolarHBondContact OE2-NZ 2.89Å
30	V	54.3	Low	60.3	Low	59 Å²	59	76.6 Å²	76.6	36%	0.358	38%	0.376	S	S	.	.			trans	-58.5	120.5	170.5	-178.7	0	0	0	0	109.5	E28 Y32	E28-V30 PolarHBondContact O-N 3.22Å; V30-Y32 HydrophobicContact CB-CD2 4.38Å; V30-Y32 HydrophobicContact CB-CE2 3.88Å; V30-Y32 HydrophobicContact CG1-CD2 4.3Å; V30-Y32 HydrophobicContact CG1-CE1 4.44Å; V30-Y32 HydrophobicContact CG1-CE2 3.95Å; V30-Y32 WeakPolarHBondContact O-CD2 3.42Å; V30-Y32 PolarHBondContact O-N 3.21Å
31	P	52.6	Low	59.4	Low	5 Å²	5	80.2 Å²	80.2	3%	0.032	39%	0.393	C	S	.	.			trans	-78.6	91.4	176.8	-4	21.7	0	0	0	110	L22 E29 L37	L22-P31 HydrophobicContact CD1-CG 4.14Å; L22-P31 HydrophobicContact CD2-CG 4.41Å; E29-P31 VanDerWaalsContact O-CD 3.26Å; E29-P31 WeakPolarHBondContact O-CD 3.11Å; P31-L37 HydrophobicContact CB-CD1 3.52Å; P31-L37 HydrophobicContact CB-CD2 4.14Å; P31-L37 HydrophobicContact CB-CG 4.27Å; P31-L37 HydrophobicContact CG-CD1 4.2Å
32	Y	52	Low	58.5	Low	170 Å²	170	87 Å²	87	67%	0.667	43%	0.425	S	S	*	.			trans	-69.5	148	161.8	-62.1	-83.2	0	0	0	109.5	V30 A34 K35	V30-Y32 HydrophobicContact CB-CD2 4.38Å; V30-Y32 HydrophobicContact CB-CE2 3.88Å; V30-Y32 HydrophobicContact CG1-CD2 4.3Å; V30-Y32 HydrophobicContact CG1-CE1 4.44Å; V30-Y32 HydrophobicContact CG1-CE2 3.95Å; V30-Y32 WeakPolarHBondContact O-CD2 3.42Å; V30-Y32 PolarHBondContact O-N 3.21Å; Y32-A34 PolarHBondContact O-N 2.9Å; Y32-K35 PolarHBondContact O-N 2.94Å
33	E	46.6	Very low	58.2	Low	161 Å²	161	89.9 Å²	89.9	75%	0.752	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-4.3	-174	-59.4	-170.4	141.8	0	0	115.7
34	A	43.5	Very low	58.2	Low	80 Å²	80	88.6 Å²	88.6	66%	0.661	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	-7.9	178.3	0	0	0	0	0	115.2	Y32	Y32-A34 PolarHBondContact O-N 2.9Å
35	K	50.8	Low	58.4	Low	111 Å²	111	88.6 Å²	88.6	48%	0.483	45%	0.447	S	S	.	.	S	Bend	trans	-92.1	128.9	172.1	-86.5	-173.2	171.7	-179.3	0	110.1	E29 Y32 L37	E29-K35 IonicContact OE2-NZ 3.79Å; E29-K35 PolarHBondContact OE2-NZ 2.89Å; Y32-K35 PolarHBondContact O-N 2.94Å; K35-L37 PolarHBondContact O-N 2.95Å
36	P	48.4	Very low	58.6	Low	77 Å²	77	82.6 Å²	82.6	50%	0.5	42%	0.418	S	S	.	.			trans	-67.1	127.3	170.8	28.8	-32.9	0	0	0	109.7	V72 L77	P36-V72 HydrophobicContact CB-CG2 4.09Å; P36-V72 HydrophobicContact CG-CG2 4.19Å; P36-V72 WeakPolarHBondContact O-CG2 3.07Å; P36-L77 HydrophobicContact CG-CD2 4.4Å
37	L	58.2	Low	59	Low	43 Å²	43	84.9 Å²	84.9	23%	0.225	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	134.8	174.3	-62.4	171.2	0	0	0	108.7	Y20 P31 K35 V39 V69	Y20-L37 HydrophobicContact CD1-CD1 4.47Å; Y20-L37 HydrophobicContact CE1-CD1 4Å; P31-L37 HydrophobicContact CB-CD1 3.52Å; P31-L37 HydrophobicContact CB-CD2 4.14Å; P31-L37 HydrophobicContact CB-CG 4.27Å; P31-L37 HydrophobicContact CG-CD1 4.2Å; K35-L37 PolarHBondContact O-N 2.95Å; L37-V39 PolarHBondContact O-N 2.72Å; L37-V69 HydrophobicContact CB-CB 4.29Å; L37-V69 HydrophobicContact CB-CG1 4.01Å; L37-V69 HydrophobicContact CD1-CB 4.31Å; L37-V69 HydrophobicContact CD1-CG1 4.06Å; L37-V69 HydrophobicContact CD1-CG2 4.47Å
38	I	59.4	Low	59.7	Low	57 Å²	57	84 Å²	84	29%	0.292	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	107.9	167.4	-69.1	163	0	0	0	106.9	K40 V69 R70 V72	I38-K40 PolarHBondContact O-N 2.87Å; I38-V69 WeakPolarHBondContact O-CA 3.43Å; I38-R70 HydrophobicContact CB-CG 4.02Å; I38-R70 HydrophobicContact CG2-CG 4.38Å; I38-R70 PolarHBondContact N-O 2.97Å; I38-R70 PolarHBondContact O-N 2.9Å; I38-V72 HydrophobicContact CD1-CG2 3.9Å; I38-V72 HydrophobicContact CG1-CG2 3.85Å
39	V	60.7	Low	60.3	Low	48 Å²	48	76.2 Å²	76.2	29%	0.291	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	116.6	168.1	-178.5	0	0	0	0	107.1	L37 E41 E42 R67 I68 V69	L37-V39 PolarHBondContact O-N 2.72Å; V39-E41 WeakPolarHBondContact CG1-O 3.25Å; V39-E42 HydrophobicContact CG1-CG 4.02Å; V39-R67 HydrophobicContact CG1-CB 4.31Å; V39-R67 HydrophobicContact CG1-CG 4.31Å; V39-I68 WeakPolarHBondContact CA-O 3.31Å; V39-V69 HydrophobicContact CG2-CG1 3.93Å
40	K	59.6	Low	61.1	Low	147 Å²	147	75.2 Å²	75.2	64%	0.639	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74	-43	175.3	-98	-171.1	169.5	-171.8	0	111	I38 I68	I38-K40 PolarHBondContact O-N 2.87Å; K40-I68 HydrophobicContact CB-CB 4.26Å; K40-I68 HydrophobicContact CB-CG2 4.05Å; K40-I68 HydrophobicContact CD-CG2 4.23Å; K40-I68 PolarHBondContact N-O 3.41Å
41	E	60.5	Low	62	Low	102 Å²	102	79.6 Å²	79.6	48%	0.477	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	133.9	-177.4	-69.6	178.3	161.6	0	0	109.5	V39	V39-E41 WeakPolarHBondContact CG1-O 3.25Å
42	E	59.3	Low	62.8	Low	142 Å²	142	82.3 Å²	82.3	66%	0.664	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.9	124.2	179.3	-68.6	-147	105.5	0	0	111.8	V39 R67	V39-E42 HydrophobicContact CG1-CG 4.02Å; E42-R67 IonicContact OE1-CZ 2.71Å; E42-R67 IonicContact OE1-NH2 3.71Å; E42-R67 PolarHBondContact OE1-NH2 3.01Å
43	S	67.8	Low	63.5	Low	65 Å²	65	74.7 Å²	74.7	46%	0.455	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	62.7	62	163.9	-160.8	0	0	0	0	115.5	G45 T66	S43-G45 PolarHBondContact O-N 3.09Å; S43-T66 CarbonylContact C-O 3.51Å; S43-T66 WeakPolarHBondContact CA-O 3.37Å; S43-T66 PolarHBondContact N-O 3.07Å; S43-T66 VanDerWaalsContact N-O 3.09Å
44	L	70.8	Confident	64.5	Low	11 Å²	11	67.9 Å²	67.9	6%	0.058	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	134.2	169.4	-66.4	176	0	0	0	111.8	L21 Q48 V49 L52 T66 I68	L21-L44 HydrophobicContact CD1-CD1 3.69Å; L44-Q48 HydrophobicContact CB-CB 4.3Å; L44-Q48 HydrophobicContact CD2-CB 4Å; L44-V49 HydrophobicContact CB-CG2 3.87Å; L44-V49 HydrophobicContact CD1-CG2 4.37Å; L44-L52 HydrophobicContact CD1-CD1 3.62Å; L44-L52 HydrophobicContact CD2-CD1 4.3Å; L44-T66 HydrophobicContact CB-CG2 4.35Å; L44-T66 PolarHBondContact N-O 3.39Å; L44-I68 HydrophobicContact CD1-CD1 3.91Å; L44-I68 HydrophobicContact CD1-CG1 3.65Å
45	G	70.7	Confident	65.4	Low	35 Å²	35	67.2 Å²	67.2	36%	0.361	35%	0.35	S	S	.	.			trans	-76.8	165.4	170.7	0	0	0	0	0	112.7	S43 D47 Q48 V49	S43-G45 PolarHBondContact O-N 3.09Å; G45-D47 PolarHBondContact O-N 3.34Å; G45-Q48 WeakPolarHBondContact O-CB 3.33Å; G45-Q48 PolarHBondContact O-N 3.01Å; G45-Q48 VanDerWaalsContact O-N 3.11Å; G45-V49 WeakPolarHBondContact O-CG2 3.39Å; G45-V49 PolarHBondContact O-N 3.08Å; G45-V49 VanDerWaalsContact O-N 3.08Å
46	Y	72.6	Confident	65.9	Low	28 Å²	28	62.6 Å²	62.6	11%	0.11	33%	0.33	C	S	.	.	H	α-helix	trans	-51.6	-50.9	-176.6	-174.8	-75.2	0	0	0	112.2	Q48 V49 E50 E55 A58 A62 I645	Y46-Q48 VanDerWaalsContact C-N 3.27Å; Y46-Q48 PolarHBondContact O-N 3.39Å; Y46-V49 CarbonylContact O-C 3.58Å; Y46-V49 WeakPolarHBondContact O-CA 3.36Å; Y46-V49 PolarHBondContact O-N 3.31Å; Y46-E50 HydrophobicContact CD1-CB 4.38Å; Y46-E50 HydrophobicContact CE1-CB 4.25Å; Y46-E50 VanDerWaalsContact CE1-OE2 3.28Å; Y46-E50 WeakPolarHBondContact CE1-OE2 3.24Å; Y46-E50 PolarHBondContact O-N 3.33Å; Y46-E55 PolarHBondContact OH-O 3.34Å; Y46-A58 HydrophobicContact CD1-CB 3.69Å; Y46-A58 HydrophobicContact CD2-CB 3.8Å; Y46-A58 HydrophobicContact CE1-CB 3.42Å; Y46-A58 VanDerWaalsContact CE1-CB 3.42Å; Y46-A58 HydrophobicContact CE2-CB 3.57Å; Y46-A58 WeakPolarHBondContact CE2-O 3.47Å; Y46-A58 HydrophobicContact CG-CB 3.87Å; Y46-A62 HydrophobicContact CD2-CB 4.25Å; Y46-A62 HydrophobicContact CE2-CB 4.28Å; Y46-I645 HydrophobicContact CD2-CG2 4.31Å; Y46-I645 HydrophobicContact CE2-CG2 3.78Å
47	D	72.5	Confident	66.7	Low	87 Å²	87	59 Å²	59	47%	0.465	31%	0.307	S	S	.	.	H	α-helix	trans	-62.4	-34	-176.9	-56.9	-36.2	0	0	0	112.4	G45 E50 E51 K649	G45-D47 PolarHBondContact O-N 3.34Å; D47-E50 PolarHBondContact O-N 3.35Å; D47-E51 WeakPolarHBondContact O-CB 3.43Å; D47-E51 PolarHBondContact O-N 3.26Å; D47-K649 WeakPolarHBondContact OD1-CE 3.38Å; D47-K649 IonicContact OD1-NZ 3.89Å; D47-K649 PolarHBondContact OD1-NZ 2.94Å
48	Q	75.9	Confident	67.2	Low	94 Å²	94	57 Å²	57	44%	0.439	30%	0.297	S	S	.	.	H	α-helix	trans	-70	-37	174.6	-59	177.6	-66.5	0	0	111.3	L44 G45 Y46 E50 L52	L44-Q48 HydrophobicContact CB-CB 4.3Å; L44-Q48 HydrophobicContact CD2-CB 4Å; G45-Q48 WeakPolarHBondContact O-CB 3.33Å; G45-Q48 PolarHBondContact O-N 3.01Å; G45-Q48 VanDerWaalsContact O-N 3.11Å; Y46-Q48 VanDerWaalsContact C-N 3.27Å; Y46-Q48 PolarHBondContact O-N 3.39Å; Q48-E50 VanDerWaalsContact C-N 3.35Å; Q48-L52 WeakPolarHBondContact O-CB 3.45Å; Q48-L52 WeakPolarHBondContact O-CD1 3.04Å; Q48-L52 WeakPolarHBondContact O-CG 2.94Å; Q48-L52 PolarHBondContact O-N 2.71Å
49	V	71.5	Confident	67.4	Low	1 Å²	1	57.2 Å²	57.2	1%	0.006	30%	0.298	C	S	.	.	H	α-helix	trans	-70.6	-33.7	174.4	-176.7	0	0	0	0	111	L21 L44 G45 Y46 A53 G54 A57 A58 C61 T66	L21-V49 HydrophobicContact CD1-CG1 4.4Å; L21-V49 HydrophobicContact CD1-CG2 4.31Å; L44-V49 HydrophobicContact CB-CG2 3.87Å; L44-V49 HydrophobicContact CD1-CG2 4.37Å; G45-V49 WeakPolarHBondContact O-CG2 3.39Å; G45-V49 PolarHBondContact O-N 3.08Å; G45-V49 VanDerWaalsContact O-N 3.08Å; Y46-V49 CarbonylContact O-C 3.58Å; Y46-V49 WeakPolarHBondContact O-CA 3.36Å; Y46-V49 PolarHBondContact O-N 3.31Å; V49-A53 WeakPolarHBondContact O-CA 3.38Å; V49-A53 WeakPolarHBondContact O-CB 3.47Å; V49-A53 PolarHBondContact O-N 3.05Å; V49-G54 PolarHBondContact O-N 3.33Å; V49-A57 HydrophobicContact CG1-CB 4.27Å; V49-A58 HydrophobicContact CB-CB 4.15Å; V49-A58 HydrophobicContact CG1-CB 4.18Å; V49-C61 HydrophobicContact CG1-CB 4.45Å; V49-T66 HydrophobicContact CG2-CG2 3.62Å
50	E	75	Confident	67.6	Low	57 Å²	57	55.7 Å²	55.7	27%	0.266	29%	0.288	S	S	.	.	H	α-helix	trans	-66.6	-47.2	174.6	-177.9	170.3	-163.9	0	0	110.9	Y46 D47 Q48 G54 A58 K649	Y46-E50 HydrophobicContact CD1-CB 4.38Å; Y46-E50 HydrophobicContact CE1-CB 4.25Å; Y46-E50 VanDerWaalsContact CE1-OE2 3.28Å; Y46-E50 WeakPolarHBondContact CE1-OE2 3.24Å; Y46-E50 PolarHBondContact O-N 3.33Å; D47-E50 PolarHBondContact O-N 3.35Å; Q48-E50 VanDerWaalsContact C-N 3.35Å; E50-G54 VanDerWaalsContact O-CA 3.22Å; E50-G54 WeakPolarHBondContact O-CA 3.3Å; E50-G54 PolarHBondContact O-N 3.48Å; E50-A58 HydrophobicContact CB-CB 3.84Å; E50-K649 IonicContact OE2-NZ 2.78Å; E50-K649 PolarHBondContact OE2-NZ 3.31Å
51	E	73.5	Confident	68.2	Low	151 Å²	151	48.9 Å²	48.9	71%	0.706	26%	0.259	S	S	*	.	H	α-helix	trans	-61.9	-42.7	173.8	-171.7	179.7	-173.5	0	0	112	K6 D47	K6-E51 PolarHBondContact NZ-O 2.83Å; D47-E51 WeakPolarHBondContact O-CB 3.43Å; D47-E51 PolarHBondContact O-N 3.26Å
52	L	69.6	Low	68.7	Low	61 Å²	61	45.6 Å²	45.6	32%	0.319	25%	0.249	S	C	.	.	H	α-helix	trans	-81.4	-28	-177.2	-72	167.2	0	0	0	114.8	K6 L44 Q48 I68	K6-L52 WeakPolarHBondContact CD-O 3.45Å; L44-L52 HydrophobicContact CD1-CD1 3.62Å; L44-L52 HydrophobicContact CD2-CD1 4.3Å; Q48-L52 WeakPolarHBondContact O-CB 3.45Å; Q48-L52 WeakPolarHBondContact O-CD1 3.04Å; Q48-L52 WeakPolarHBondContact O-CG 2.94Å; Q48-L52 PolarHBondContact O-N 2.71Å; L52-I68 HydrophobicContact CD1-CD1 4.04Å
53	A	67.6	Low	69.2	Low	11 Å²	11	42.3 Å²	42.3	9%	0.091	25%	0.253	C	S	.	.	H	α-helix	trans	-144.4	-5.5	-168.3	0	0	0	0	0	115.6	L21 V49 A57	L21-A53 HydrophobicContact CD2-CB 3.83Å; V49-A53 WeakPolarHBondContact O-CA 3.38Å; V49-A53 WeakPolarHBondContact O-CB 3.47Å; V49-A53 PolarHBondContact O-N 3.05Å; A53-A57 HydrophobicContact CB-CB 3.42Å; A53-A57 VanDerWaalsContact CB-CB 3.42Å; A53-A57 VanDerWaalsContact O-CB 3.28Å; A53-A57 WeakPolarHBondContact O-CB 3.4Å
54	G	65.6	Low	69.5	Low	18 Å²	18	41.3 Å²	41.3	19%	0.186	24%	0.24	C	C	.	.			trans	103	162.9	175.3	0	0	0	0	0	114.9	V49 E50 D56 A57 A58	V49-G54 PolarHBondContact O-N 3.33Å; E50-G54 VanDerWaalsContact O-CA 3.22Å; E50-G54 WeakPolarHBondContact O-CA 3.3Å; E50-G54 PolarHBondContact O-N 3.48Å; G54-D56 VanDerWaalsContact C-N 3.31Å; G54-D56 PolarHBondContact O-N 2.72Å; G54-A57 WeakPolarHBondContact O-CB 3.44Å; G54-A57 PolarHBondContact O-N 3.08Å; G54-A57 VanDerWaalsContact O-N 3.11Å; G54-A58 PolarHBondContact O-N 2.84Å
55	E	64.2	Low	69.8	Low	66 Å²	66	47.9 Å²	47.9	31%	0.308	26%	0.264	S	S	.	.	H	α-helix	trans	-55.1	-44.5	-178	-170.3	-179.4	-169.2	0	0	111.6	Y46 A57 A58 L59 K573	Y46-E55 PolarHBondContact OH-O 3.34Å; E55-A57 PolarHBondContact O-N 3.21Å; E55-A58 PolarHBondContact O-N 3.14Å; E55-L59 HydrophobicContact CG-CD1 4.21Å; E55-L59 WeakPolarHBondContact O-CB 3.4Å; E55-L59 PolarHBondContact O-N 3.26Å; E55-K573 IonicContact OE2-NZ 3.86Å
56	D	60.4	Low	70.1	Confident	13 Å²	13	46.4 Å²	46.4	7%	0.07	25%	0.248	C	C	.	.	H	α-helix	trans	-67	-34.5	178.8	-53.4	-82.1	0	0	0	113.1	M1 G54 L59 L60 N560 R568	M1-D56 HydrophobicContact CE-CB 3.61Å; M1-D56 HydrophobicContact SD-CB 4.27Å; G54-D56 VanDerWaalsContact C-N 3.31Å; G54-D56 PolarHBondContact O-N 2.72Å; D56-L59 WeakPolarHBondContact O-CB 3.48Å; D56-L59 PolarHBondContact O-N 2.99Å; D56-L60 VanDerWaalsContact O-CB 3.29Å; D56-L60 WeakPolarHBondContact O-CB 3.3Å; D56-L60 PolarHBondContact O-N 2.71Å; D56-N560 PolarHBondContact OD1-ND2 3.12Å; D56-N560 PolarHBondContact OD2-ND2 3.28Å; D56-N560 VanDerWaalsContact OD2-ND2 3.14Å; D56-R568 IonicContact OD1-NH1 2.84Å
57	A	65.1	Low	70.5	Confident	3 Å²	3	47.9 Å²	47.9	3%	0.025	25%	0.253	C	S	.	.	H	α-helix	trans	-65.8	-40.3	174.2	0	0	0	0	0	111.8	I10 V49 A53 G54 E55 L60 C61	I10-A57 HydrophobicContact CD1-CB 3.29Å; V49-A57 HydrophobicContact CG1-CB 4.27Å; A53-A57 HydrophobicContact CB-CB 3.42Å; A53-A57 VanDerWaalsContact CB-CB 3.42Å; A53-A57 VanDerWaalsContact O-CB 3.28Å; A53-A57 WeakPolarHBondContact O-CB 3.4Å; G54-A57 WeakPolarHBondContact O-CB 3.44Å; G54-A57 PolarHBondContact O-N 3.08Å; G54-A57 VanDerWaalsContact O-N 3.11Å; E55-A57 PolarHBondContact O-N 3.21Å; A57-L60 PolarHBondContact O-N 3.22Å; A57-C61 PolarHBondContact O-N 2.6Å; A57-C61 VanDerWaalsContact O-N 3.07Å
58	A	67.9	Low	70.7	Confident	1 Å²	1	45 Å²	45	1%	0.008	24%	0.237	C	C	.	.	H	α-helix	trans	-68.1	-42.7	176.1	0	0	0	0	0	111.4	Y46 V49 E50 G54 E55 L60 C61 A62	Y46-A58 HydrophobicContact CD1-CB 3.69Å; Y46-A58 HydrophobicContact CD2-CB 3.8Å; Y46-A58 HydrophobicContact CE1-CB 3.42Å; Y46-A58 VanDerWaalsContact CE1-CB 3.42Å; Y46-A58 HydrophobicContact CE2-CB 3.57Å; Y46-A58 WeakPolarHBondContact CE2-O 3.47Å; Y46-A58 HydrophobicContact CG-CB 3.87Å; V49-A58 HydrophobicContact CB-CB 4.15Å; V49-A58 HydrophobicContact CG1-CB 4.18Å; E50-A58 HydrophobicContact CB-CB 3.84Å; G54-A58 PolarHBondContact O-N 2.84Å; E55-A58 PolarHBondContact O-N 3.14Å; A58-L60 VanDerWaalsContact C-N 3.32Å; A58-L60 PolarHBondContact O-N 2.72Å; A58-C61 CarbonylContact O-C 3.57Å; A58-C61 PolarHBondContact O-N 3.19Å; A58-A62 PolarHBondContact O-N 3.08Å
59	L	64.7	Low	70.5	Confident	60 Å²	60	40.6 Å²	40.6	31%	0.314	22%	0.217	S	C	.	.	H	α-helix	trans	-54.4	-44.5	168.2	-89.9	151.2	0	0	0	112.2	E55 D56 C61 A62 I645	E55-L59 HydrophobicContact CG-CD1 4.21Å; E55-L59 WeakPolarHBondContact O-CB 3.4Å; E55-L59 PolarHBondContact O-N 3.26Å; D56-L59 WeakPolarHBondContact O-CB 3.48Å; D56-L59 PolarHBondContact O-N 2.99Å; L59-C61 VanDerWaalsContact C-N 3.31Å; L59-C61 PolarHBondContact O-N 3.39Å; L59-A62 WeakPolarHBondContact O-CB 3.26Å; L59-A62 PolarHBondContact O-N 3.45Å; L59-I645 HydrophobicContact CD2-CD1 3.45Å; L59-I645 VanDerWaalsContact CD2-CD1 3.45Å; L59-I645 HydrophobicContact CG-CD1 4.44Å
60	L	65.2	Low	70.3	Confident	16 Å²	16	44 Å²	44	8%	0.084	23%	0.23	C	C	.	.	H	α-helix	trans	-68.7	-29.3	-178.2	-156.9	125.5	0	0	0	113.2	M1 I10 D56 A57 A58 D553	M1-L60 HydrophobicContact SD-CD1 4.16Å; I10-L60 HydrophobicContact CB-CD2 4.33Å; I10-L60 HydrophobicContact CG2-CD2 3.63Å; D56-L60 VanDerWaalsContact O-CB 3.29Å; D56-L60 WeakPolarHBondContact O-CB 3.3Å; D56-L60 PolarHBondContact O-N 2.71Å; A57-L60 PolarHBondContact O-N 3.22Å; A58-L60 VanDerWaalsContact C-N 3.32Å; A58-L60 PolarHBondContact O-N 2.72Å; L60-D553 HydrophobicContact CD1-CB 3.72Å; L60-D553 WeakPolarHBondContact CD1-OD2 3.43Å; L60-D553 HydrophobicContact CG-CB 4.11Å
61	C	72.8	Confident	69.4	Low	4 Å²	4	42.8 Å²	42.8	3%	0.027	23%	0.227	C	C	.	.	H	α-helix	trans	-98.5	1.2	175.5	-68.3	0	0	0	0	114.2	C19 V49 A57 A58 L59 R64 T66	C19-C61 HydrophobicContact CB-CB 3.64Å; C19-C61 WeakPolarHBondContact CB-SG 3.46Å; C19-C61 WeakPolarHBondContact SG-CA 3.49Å; C19-C61 WeakPolarHBondContact SG-CB 3.22Å; C19-C61 CovalentContact SG-SG 2.05Å; C19-C61 PolarHBondContact SG-SG 2.91Å; V49-C61 HydrophobicContact CG1-CB 4.45Å; A57-C61 PolarHBondContact O-N 2.6Å; A57-C61 VanDerWaalsContact O-N 3.07Å; A58-C61 CarbonylContact O-C 3.57Å; A58-C61 PolarHBondContact O-N 3.19Å; L59-C61 VanDerWaalsContact C-N 3.31Å; L59-C61 PolarHBondContact O-N 3.39Å; C61-R64 WeakPolarHBondContact O-CB 3.48Å; C61-R64 PolarHBondContact O-N 2.89Å; C61-R64 VanDerWaalsContact O-N 3.16Å; C61-T66 HydrophobicContact CB-CG2 4.39Å; C61-T66 WeakPolarHBondContact CB-OG1 3.43Å
62	A	70.1	Confident	68.7	Low	33 Å²	33	37.1 Å²	37.1	27%	0.273	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	142.9	179.6	0	0	0	0	0	111.6	Y46 A58 L59 R64	Y46-A62 HydrophobicContact CD2-CB 4.25Å; Y46-A62 HydrophobicContact CE2-CB 4.28Å; A58-A62 PolarHBondContact O-N 3.08Å; L59-A62 WeakPolarHBondContact O-CB 3.26Å; L59-A62 PolarHBondContact O-N 3.45Å; A62-R64 PolarHBondContact O-N 3.48Å
63	G	69.2	Low	68	Low	73 Å²	73	41.2 Å²	41.2	75%	0.753	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.7	9.3	-175.7	0	0	0	0	0	115.4
64	R	73.8	Confident	67.2	Low	44 Å²	44	48.8 Å²	48.8	17%	0.166	25%	0.251	C	S	.	.	S	Bend	trans	-122.3	153	179.7	-66.2	175.3	166.4	-99	-7.9	111.3	R12 L13 D14 R17 I18 C19 C61 A62 T66	R12-R64 VanDerWaalsContact CZ-NH2 3.33Å; R12-R64 VanDerWaalsContact NE-CZ 3.29Å; L13-R64 PolarHBondContact O-NH1 3.48Å; D14-R64 IonicContact OD1-NH2 3.67Å; D14-R64 PolarHBondContact OD1-NH2 2.95Å; R17-R64 WeakPolarHBondContact O-CA 3.25Å; R17-R64 WeakPolarHBondContact O-CB 3.36Å; I18-R64 PolarHBondContact O-NH1 3.44Å; C19-R64 HydrophobicContact CB-CB 4.25Å; C61-R64 WeakPolarHBondContact O-CB 3.48Å; C61-R64 PolarHBondContact O-N 2.89Å; C61-R64 VanDerWaalsContact O-N 3.16Å; A62-R64 PolarHBondContact O-N 3.48Å; R64-T66 PolarHBondContact O-N 2.87Å
65	R	77	Confident	66.4	Low	149 Å²	149	55.7 Å²	55.7	56%	0.562	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.8	114.1	172.1	-77.1	-177.5	-69.7	-175.3	-3.5	109.2	R17 I18 C19	R17-R65 PolarHBondContact O-N 3.18Å; I18-R65 WeakPolarHBondContact CA-O 3.35Å; I18-R65 WeakPolarHBondContact CG2-O 3.35Å; C19-R65 PolarHBondContact N-O 2.98Å
66	T	78.7	Confident	65.8	Low	4 Å²	4	56.4 Å²	56.4	3%	0.025	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	133.3	-173.7	-55.1	0	0	0	0	111.8	C19 L21 S43 L44 V49 C61 R64	C19-T66 HydrophobicContact CB-CG2 4.13Å; C19-T66 CarbonylContact O-C 3.55Å; C19-T66 VanDerWaalsContact O-CA 3.31Å; C19-T66 WeakPolarHBondContact O-CA 3.46Å; L21-T66 HydrophobicContact CD1-CG2 3.52Å; L21-T66 HydrophobicContact CG-CG2 4.24Å; S43-T66 CarbonylContact C-O 3.51Å; S43-T66 WeakPolarHBondContact CA-O 3.37Å; S43-T66 PolarHBondContact N-O 3.07Å; S43-T66 VanDerWaalsContact N-O 3.09Å; L44-T66 HydrophobicContact CB-CG2 4.35Å; L44-T66 PolarHBondContact N-O 3.39Å; V49-T66 HydrophobicContact CG2-CG2 3.62Å; C61-T66 HydrophobicContact CB-CG2 4.39Å; C61-T66 WeakPolarHBondContact CB-OG1 3.43Å; R64-T66 PolarHBondContact O-N 2.87Å
67	R	80.4	Confident	65.2	Low	60 Å²	60	59.1 Å²	59.1	23%	0.226	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	129.2	-175	-71.1	177.9	160.8	179.6	-12.2	110.9	C19 Y20 L21 V39 E42 V69	C19-R67 PolarHBondContact O-N 3.18Å; Y20-R67 WeakPolarHBondContact CA-O 3.33Å; Y20-R67 HydrophobicContact CD1-CB 4.02Å; Y20-R67 HydrophobicContact CE1-CB 4.21Å; L21-R67 PolarHBondContact N-O 3.36Å; V39-R67 HydrophobicContact CG1-CB 4.31Å; V39-R67 HydrophobicContact CG1-CG 4.31Å; E42-R67 IonicContact OE1-CZ 2.71Å; E42-R67 IonicContact OE1-NH2 3.71Å; E42-R67 PolarHBondContact OE1-NH2 3.01Å; R67-V69 HydrophobicContact CB-CG1 4.44Å
68	I	77	Confident	64.1	Low	26 Å²	26	64.2 Å²	64.2	13%	0.133	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	127.1	164.1	-59.6	178.4	0	0	0	108	L21 V39 K40 L44 L52	L21-I68 HydrophobicContact CB-CG1 4.15Å; L21-I68 HydrophobicContact CD1-CG1 4.3Å; L21-I68 WeakPolarHBondContact O-CA 3.29Å; V39-I68 WeakPolarHBondContact CA-O 3.31Å; K40-I68 HydrophobicContact CB-CB 4.26Å; K40-I68 HydrophobicContact CB-CG2 4.05Å; K40-I68 HydrophobicContact CD-CG2 4.23Å; K40-I68 PolarHBondContact N-O 3.41Å; L44-I68 HydrophobicContact CD1-CD1 3.91Å; L44-I68 HydrophobicContact CD1-CG1 3.65Å; L52-I68 HydrophobicContact CD1-CD1 4.04Å
69	V	70.4	Confident	62.8	Low	1 Å²	1	73.4 Å²	73.4	1%	0.006	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	145.9	-178.1	-79.1	0	0	0	0	111.7	Y20 L21 L22 P23 L37 I38 V39 R67	Y20-V69 HydrophobicContact CD1-CB 4.19Å; Y20-V69 HydrophobicContact CD1-CG1 3.59Å; Y20-V69 HydrophobicContact CD1-CG2 3.49Å; Y20-V69 VanDerWaalsContact CD1-CG2 3.49Å; Y20-V69 HydrophobicContact CE1-CG1 3.76Å; Y20-V69 HydrophobicContact CE1-CG2 4.38Å; Y20-V69 HydrophobicContact CG-CG2 4Å; L21-V69 PolarHBondContact O-N 3.43Å; L22-V69 HydrophobicContact CD2-CB 4.5Å; L22-V69 HydrophobicContact CD2-CG2 3.58Å; L22-V69 HydrophobicContact CG-CG2 3.83Å; P23-V69 WeakPolarHBondContact CD-O 3.22Å; L37-V69 HydrophobicContact CB-CB 4.29Å; L37-V69 HydrophobicContact CB-CG1 4.01Å; L37-V69 HydrophobicContact CD1-CB 4.31Å; L37-V69 HydrophobicContact CD1-CG1 4.06Å; L37-V69 HydrophobicContact CD1-CG2 4.47Å; I38-V69 WeakPolarHBondContact O-CA 3.43Å; V39-V69 HydrophobicContact CG2-CG1 3.93Å; R67-V69 HydrophobicContact CB-CG1 4.44Å
70	R	67.8	Low	61.4	Low	73 Å²	73	78.8 Å²	78.8	28%	0.275	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	146.7	164	67.9	176.4	-175.8	90	-9.9	110.4	I38 E76	I38-R70 HydrophobicContact CB-CG 4.02Å; I38-R70 HydrophobicContact CG2-CG 4.38Å; I38-R70 PolarHBondContact N-O 2.97Å; I38-R70 PolarHBondContact O-N 2.9Å; R70-E76 IonicContact CZ-OE1 3.55Å; R70-E76 IonicContact CZ-OE2 3.87Å; R70-E76 IonicContact NH1-OE1 2.74Å; R70-E76 PolarHBondContact NH1-OE1 3.04Å; R70-E76 IonicContact NH1-OE2 3.82Å; R70-E76 PolarHBondContact NH1-OE2 3.05Å; R70-E76 IonicContact NH2-OE1 3.3Å; R70-E76 PolarHBondContact NH2-OE1 2.98Å; R70-E76 IonicContact NH2-OE2 2.89Å
71	P	57.4	Low	60.1	Low	32 Å²	32	83.2 Å²	83.2	21%	0.208	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	148	167.8	27.4	-33.6	0	0	0	110.2	L26	L26-P71 HydrophobicContact CD1-CG 3.55Å; L26-P71 HydrophobicContact CD2-CG 3.97Å; L26-P71 HydrophobicContact CG-CG 4.37Å
72	V	58.4	Low	58.2	Low	32 Å²	32	92.8 Å²	92.8	19%	0.194	46%	0.459	C	S	.	.	P	Polyproline II helix	trans	-72.3	127.3	172.2	-178.7	0	0	0	0	108	P36 I38 E76 L77	P36-V72 HydrophobicContact CB-CG2 4.09Å; P36-V72 HydrophobicContact CG-CG2 4.19Å; P36-V72 WeakPolarHBondContact O-CG2 3.07Å; I38-V72 HydrophobicContact CD1-CG2 3.9Å; I38-V72 HydrophobicContact CG1-CG2 3.85Å; V72-E76 HydrophobicContact CG1-CB 3.64Å; V72-L77 HydrophobicContact CB-CD1 4.27Å; V72-L77 HydrophobicContact CG1-CD1 3.88Å; V72-L77 HydrophobicContact CG1-CG 3.81Å
73	K	54.3	Low	56.5	Low	146 Å²	146	95.7 Å²	95.7	64%	0.635	48%	0.477	S	S	*	.	P	Polyproline II helix	trans	-70.5	147.6	172	-71.9	-171.5	175.7	-173.2	0	109.3	E75 E76 L77	K73-E75 PolarHBondContact O-N 3.38Å; K73-E76 PolarHBondContact N-OE2 3.14Å; K73-E76 VanDerWaalsContact N-OE2 3.14Å; K73-E76 WeakPolarHBondContact O-CB 3.47Å; K73-E76 PolarHBondContact O-N 2.84Å; K73-L77 PolarHBondContact O-N 3.2Å
74	E	50.1	Low	55	Low	171 Å²	171	98.7 Å²	98.7	80%	0.799	48%	0.476	S	S	*	.	H	α-helix	trans	-55.5	-28.8	-175.7	-141.1	168.7	-161.8	0	0	112.8
75	E	50.7	Low	53.1	Low	163 Å²	163	102.3 Å²	102.3	76%	0.762	51%	0.508	S	S	*	.	H	α-helix	trans	-68.3	-30.1	174.4	-60.9	170.2	-178.1	0	0	114.6	K73	K73-E75 PolarHBondContact O-N 3.38Å
76	E	50.1	Low	51.4	Low	80 Å²	80	103.4 Å²	103.4	37%	0.374	52%	0.517	S	S	.	.	H	α-helix	trans	-77.8	-33.8	178.8	-70.1	176.1	133	0	0	111.3	R70 V72 K73 V78 K79	R70-E76 IonicContact CZ-OE1 3.55Å; R70-E76 IonicContact CZ-OE2 3.87Å; R70-E76 IonicContact NH1-OE1 2.74Å; R70-E76 PolarHBondContact NH1-OE1 3.04Å; R70-E76 IonicContact NH1-OE2 3.82Å; R70-E76 PolarHBondContact NH1-OE2 3.05Å; R70-E76 IonicContact NH2-OE1 3.3Å; R70-E76 PolarHBondContact NH2-OE1 2.98Å; R70-E76 IonicContact NH2-OE2 2.89Å; V72-E76 HydrophobicContact CG1-CB 3.64Å; K73-E76 PolarHBondContact N-OE2 3.14Å; K73-E76 VanDerWaalsContact N-OE2 3.14Å; K73-E76 WeakPolarHBondContact O-CB 3.47Å; K73-E76 PolarHBondContact O-N 2.84Å; E76-V78 PolarHBondContact O-N 3.27Å; E76-K79 PolarHBondContact O-N 3Å
77	L	47.8	Very low	49.7	Very low	71 Å²	71	108.3 Å²	108.3	37%	0.372	55%	0.547	S	S	.	.	H	α-helix	trans	-59.9	-28.8	177	-95	140.1	0	0	0	113.5	P36 V72 K73 K79 V81	P36-L77 HydrophobicContact CG-CD2 4.4Å; V72-L77 HydrophobicContact CB-CD1 4.27Å; V72-L77 HydrophobicContact CG1-CD1 3.88Å; V72-L77 HydrophobicContact CG1-CG 3.81Å; K73-L77 PolarHBondContact O-N 3.2Å; L77-K79 PolarHBondContact O-N 3.05Å; L77-K79 VanDerWaalsContact O-N 3.17Å; L77-V81 HydrophobicContact CD2-CG2 4.32Å; L77-V81 WeakPolarHBondContact O-CG2 3.47Å
78	V	43.4	Very low	47.6	Very low	110 Å²	110	113.5 Å²	113.5	67%	0.667	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.8	-16.1	-175.4	-179.1	0	0	0	0	113.1	E76	E76-V78 PolarHBondContact O-N 3.27Å
79	K	40.1	Very low	45.8	Very low	193 Å²	193	117.9 Å²	117.9	84%	0.839	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.1	-12	-175.8	-74.1	-177.7	178.1	174.4	0	116.4	E76 L77	E76-K79 PolarHBondContact O-N 3Å; L77-K79 PolarHBondContact O-N 3.05Å; L77-K79 VanDerWaalsContact O-N 3.17Å
80	E	36	Very low	44.4	Very low	174 Å²	174	120.9 Å²	120.9	81%	0.813	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.1	-5.6	179.7	-69.1	-165.9	142.7	0	0	115.1	F82	E80-F82 PolarHBondContact O-N 3.12Å
81	V	37.2	Very low	43	Very low	108 Å²	108	120.4 Å²	120.4	66%	0.655	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	4.6	-174.2	169	0	0	0	0	114.6	L77	L77-V81 HydrophobicContact CD2-CG2 4.32Å; L77-V81 WeakPolarHBondContact O-CG2 3.47Å
82	F	32.3	Very low	42.1	Very low	206 Å²	206	128.3 Å²	128.3	90%	0.904	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.5	34.3	174.3	-84	-75.2	0	0	0	115.3	E80	E80-F82 PolarHBondContact O-N 3.12Å
83	S	34	Very low	41.3	Very low	93 Å²	93	136.3 Å²	136.3	65%	0.65	68%	0.679	S	S	*	*	S	Bend	trans	-169.6	94.3	154.9	49.5	0	0	0	0	115.4
84	N	38	Very low	40.5	Very low	137 Å²	137	132.5 Å²	132.5	73%	0.733	67%	0.671	S	S	*	*			trans	167.3	121.9	130.9	-96	-65.2	0	0	0	113	K86	N84-K86 PolarHBondContact O-N 3.02Å
85	S	35	Very low	39.8	Very low	119 Å²	119	129.8 Å²	129.8	83%	0.832	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	23.5	-176	53	0	0	0	0	115.6
86	K	39.9	Very low	39.1	Very low	172 Å²	172	125.9 Å²	125.9	75%	0.748	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.4	-12.9	-174.4	-77.5	-176	175.2	176.5	0	115.9	N84	N84-K86 PolarHBondContact O-N 3.02Å
87	V	42.7	Very low	38.5	Very low	108 Å²	108	131 Å²	131	66%	0.655	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	-29.2	-172.5	-176.2	0	0	0	0	113.5	N89 A90	V87-N89 PolarHBondContact O-N 3.29Å; V87-N89 VanDerWaalsContact O-N 3.13Å; V87-A90 PolarHBondContact O-N 2.96Å
88	Q	37.3	Very low	37.9	Very low	169 Å²	169	132.2 Å²	132.2	79%	0.79	67%	0.669	S	S	*	*	H	α-helix	trans	-66.9	-15.3	-175.7	-73.5	-176.7	-17.1	0	0	115.4
89	N	40.1	Very low	37.4	Very low	118 Å²	118	136.2 Å²	136.2	63%	0.631	67%	0.672	S	S	*	*	H	α-helix	trans	-95.8	-11.1	-177.8	-79.2	-35.7	0	0	0	114.8	V87	V87-N89 PolarHBondContact O-N 3.29Å; V87-N89 VanDerWaalsContact O-N 3.13Å
90	A	39.2	Very low	37.2	Very low	64 Å²	64	136.1 Å²	136.1	53%	0.529	67%	0.666	S	S	.	*	H	α-helix	trans	-83.3	-47.2	178.4	0	0	0	0	0	111.9	V87 R92 R93 S94	V87-A90 PolarHBondContact O-N 2.96Å; A90-R92 PolarHBondContact O-N 3.21Å; A90-R93 PolarHBondContact O-N 2.91Å; A90-S94 PolarHBondContact O-N 3.38Å
91	V	39.5	Very low	37.1	Very low	63 Å²	63	135.3 Å²	135.3	38%	0.382	66%	0.662	S	S	.	*	H	α-helix	trans	-60.7	-45.5	-176.7	-176.6	0	0	0	0	111.8	R93 S94 E95	V91-R93 PolarHBondContact O-N 3.17Å; V91-R93 VanDerWaalsContact O-N 3.12Å; V91-S94 PolarHBondContact O-N 3.23Å; V91-S94 PolarHBondContact O-OG 3.24Å; V91-E95 PolarHBondContact O-N 3.45Å
92	R	39.2	Very low	36.7	Very low	197 Å²	197	134 Å²	134	74%	0.743	66%	0.663	S	S	*	*	H	α-helix	trans	-62.2	-20.4	176.3	-83.9	-176	169.6	178.6	-2.2	114.6	A90	A90-R92 PolarHBondContact O-N 3.21Å
93	R	40.2	Very low	36.4	Very low	201 Å²	201	133.3 Å²	133.3	76%	0.758	66%	0.66	S	S	*	*	H	α-helix	trans	-88.3	-20.9	178.1	-73.7	-177.9	175.1	-174.7	-0.6	113.4	A90 V91	A90-R93 PolarHBondContact O-N 2.91Å; V91-R93 PolarHBondContact O-N 3.17Å; V91-R93 VanDerWaalsContact O-N 3.12Å
94	S	38.7	Very low	36	Very low	65 Å²	65	132.7 Å²	132.7	46%	0.455	67%	0.668	S	S	.	*	H	α-helix	trans	-80.5	-43.9	173.4	61	0	0	0	0	111.5	A90 V91 D96 R97 V98	A90-S94 PolarHBondContact O-N 3.38Å; V91-S94 PolarHBondContact O-N 3.23Å; V91-S94 PolarHBondContact O-OG 3.24Å; S94-D96 VanDerWaalsContact C-N 3.33Å; S94-D96 PolarHBondContact O-N 3.24Å; S94-R97 WeakPolarHBondContact O-CB 3.47Å; S94-R97 PolarHBondContact O-N 3.02Å; S94-V98 PolarHBondContact O-N 3.27Å; S94-V98 VanDerWaalsContact O-N 3.1Å
95	E	35.1	Very low	35.5	Very low	115 Å²	115	129.9 Å²	129.9	54%	0.537	67%	0.672	S	S	.	*	H	α-helix	trans	-61.6	-38.5	179.4	-64.3	-177.9	138.5	0	0	112.7	V91 R97 R99	V91-E95 PolarHBondContact O-N 3.45Å; E95-R97 VanDerWaalsContact C-N 3.31Å; E95-R97 PolarHBondContact O-N 2.87Å; E95-R99 WeakPolarHBondContact O-CB 2.98Å; E95-R99 PolarHBondContact O-N 2.74Å
96	D	35.7	Very low	35.1	Very low	81 Å²	81	134.7 Å²	134.7	43%	0.433	67%	0.673	S	S	.	*	H	α-helix	trans	-72.3	-20.7	175.3	-108	15.3	0	0	0	113.6	S94 R100	S94-D96 VanDerWaalsContact C-N 3.33Å; S94-D96 PolarHBondContact O-N 3.24Å; D96-R100 WeakPolarHBondContact O-CD 3.04Å; D96-R100 WeakPolarHBondContact O-CG 3.42Å; D96-R100 PolarHBondContact O-N 3.3Å; D96-R100 IonicContact OD2-NH2 3.83Å
97	R	36.9	Very low	34.5	Very low	186 Å²	186	131.7 Å²	131.7	70%	0.702	67%	0.671	S	S	*	*	H	α-helix	trans	-80	-43.8	175.7	-160.1	176.9	-169.5	-169.9	1.9	110.7	S94 E95 R100 Q101	S94-R97 WeakPolarHBondContact O-CB 3.47Å; S94-R97 PolarHBondContact O-N 3.02Å; E95-R97 VanDerWaalsContact C-N 3.31Å; E95-R97 PolarHBondContact O-N 2.87Å; R97-R100 PolarHBondContact O-N 3.04Å; R97-Q101 PolarHBondContact O-N 3.25Å
98	V	34.9	Very low	33.6	Very low	98 Å²	98	135.2 Å²	135.2	59%	0.594	68%	0.68	S	S	*	*	H	α-helix	trans	-66	-40.9	175.9	178.2	0	0	0	0	111.2	S94 R100 Q101 A102	S94-V98 PolarHBondContact O-N 3.27Å; S94-V98 VanDerWaalsContact O-N 3.1Å; V98-R100 PolarHBondContact O-N 3.07Å; V98-Q101 PolarHBondContact O-N 3.37Å; V98-A102 PolarHBondContact O-N 2.69Å
99	R	33.7	Very low	33	Very low	193 Å²	193	132.1 Å²	132.1	73%	0.728	68%	0.677	S	S	*	*	H	α-helix	trans	-65.8	-19	174.4	-82.7	-178.5	166.8	168	-0.8	114.9	E95	E95-R99 WeakPolarHBondContact O-CB 2.98Å; E95-R99 PolarHBondContact O-N 2.74Å
100	R	35	Very low	32.3	Very low	192 Å²	192	128.7 Å²	128.7	73%	0.725	67%	0.669	S	S	*	*	H	α-helix	trans	-90.1	-20	174.7	-72	175.4	-161.9	-157.4	6	113.7	D96 R97 V98	D96-R100 WeakPolarHBondContact O-CD 3.04Å; D96-R100 WeakPolarHBondContact O-CG 3.42Å; D96-R100 PolarHBondContact O-N 3.3Å; D96-R100 IonicContact OD2-NH2 3.83Å; R97-R100 PolarHBondContact O-N 3.04Å; V98-R100 PolarHBondContact O-N 3.07Å
101	Q	34.8	Very low	31.6	Very low	156 Å²	156	133.1 Å²	133.1	73%	0.729	68%	0.683	S	S	*	*	H	α-helix	trans	-86.2	-17.4	172.7	-73.4	177.3	-39.3	0	0	113.1	R97 V98 K103	R97-Q101 PolarHBondContact O-N 3.25Å; V98-Q101 PolarHBondContact O-N 3.37Å; Q101-K103 VanDerWaalsContact C-N 3.32Å; Q101-K103 PolarHBondContact O-N 2.71Å
102	A	28.5	Very low	30.8	Very low	81 Å²	81	139 Å²	139	67%	0.669	70%	0.703	S	S	*	*	S	Bend	trans	-86.6	20.8	179.9	0	0	0	0	0	115.4	V98	V98-A102 PolarHBondContact O-N 2.69Å
103	K	25.5	Very low	30.1	Very low	192 Å²	192	131.1 Å²	131.1	84%	0.835	68%	0.681	S	S	*	*	S	Bend	trans	-138.4	88.1	178	-76	-170.7	175.3	-175.6	0	112.3	Q101	Q101-K103 VanDerWaalsContact C-N 3.32Å; Q101-K103 PolarHBondContact O-N 2.71Å
104	G	27.2	Very low	29.4	Very low	79 Å²	79	125.8 Å²	125.8	81%	0.814	67%	0.67	S	S	*	*	S	Bend	trans	160.3	104.4	164.8	0	0	0	0	0	116.1
105	G	27	Very low	28.8	Very low	79 Å²	79	125.4 Å²	125.4	81%	0.814	67%	0.671	S	S	*	*			trans	78.8	100.1	150.8	0	0	0	0	0	118.2
106	Y	26.2	Very low	28.3	Very low	220 Å²	220	126.3 Å²	126.3	86%	0.863	68%	0.684	S	S	*	*			trans	-66	142.6	156.1	-86.4	-99	0	0	0	110.3	H108	Y106-H108 PolarHBondContact O-N 3.29Å
107	P	26.3	Very low	28.1	Very low	109 Å²	109	127.4 Å²	127.4	71%	0.708	69%	0.69	S	S	*	*			trans	-74.9	111.9	172.3	29.7	-32	0	0	0	110.2	S109	P107-S109 PolarHBondContact O-N 3.02Å
108	H	25.3	Very low	28.1	Very low	181 Å²	181	129.4 Å²	129.4	84%	0.838	70%	0.697	S	S	*	*			trans	-64.3	107	170.7	-81.7	-86.5	0	0	0	110.5	Y106	Y106-H108 PolarHBondContact O-N 3.29Å
109	S	24.8	Very low	28.2	Very low	105 Å²	105	129 Å²	129	73%	0.734	71%	0.713	S	S	*	*			trans	-104	117.7	166.5	57.1	0	0	0	0	109.8	P107	P107-S109 PolarHBondContact O-N 3.02Å
110	G	25.3	Very low	28.4	Very low	45 Å²	45	126.6 Å²	126.6	46%	0.464	71%	0.708	S	S	.	*			trans	-179.5	91.7	177	0	0	0	0	0	109.9
111	I	23.3	Very low	28.4	Very low	158 Å²	158	120.9 Å²	120.9	81%	0.81	70%	0.696	S	S	*	*			trans	-111.9	93.5	172.1	-58.8	175	0	0	0	107.2
112	F	23.4	Very low	28.3	Very low	186 Å²	186	116.4 Å²	116.4	82%	0.816	69%	0.685	S	S	*	*			trans	-143.6	127.4	139.8	-82.2	-65.5	0	0	0	108
113	A	24.8	Very low	28.9	Very low	32 Å²	32	120.2 Å²	120.2	26%	0.264	69%	0.693	S	S	.	*			trans	78.8	166.8	172.7	0	0	0	0	0	120.2	R130 Q131 P132	A113-R130 HydrophobicContact CB-CB 3.58Å; A113-R130 WeakPolarHBondContact CB-O 3.33Å; A113-Q131 VanDerWaalsContact CB-C 3.42Å; A113-Q131 VanDerWaalsContact CB-CA 3.43Å; A113-P132 HydrophobicContact CB-CB 4.12Å; A113-P132 HydrophobicContact CB-CG 3.81Å
114	T	25.4	Very low	29.7	Very low	89 Å²	89	117.2 Å²	117.2	55%	0.546	68%	0.681	S	S	.	*			cis	120.6	156	2.4	-176.1	0	0	0	0	111	R130 Q131	T114-R130 CarbonylContact O-C 3.53Å; T114-R130 WeakPolarHBondContact O-CA 3.5Å; T114-R130 WeakPolarHBondContact O-CB 3.37Å; T114-R130 WeakPolarHBondContact O-CG 3.49Å; T114-Q131 CarbonylContact C-O 3.57Å; T114-Q131 WeakPolarHBondContact CA-O 3.39Å; T114-Q131 PolarHBondContact O-N 3Å; T114-Q131 PolarHBondContact OG1-O 3.48Å
115	A	26.2	Very low	30.4	Very low	56 Å²	56	114.8 Å²	114.8	46%	0.463	65%	0.65	S	S	.	*			trans	-173	131.6	171.5	0	0	0	0	0	112.4	Q131	A115-Q131 PolarHBondContact N-O 3.42Å
116	V	25.2	Very low	31.3	Very low	135 Å²	135	116.4 Å²	116.4	82%	0.818	64%	0.639	S	S	*	*			trans	-128.6	137.9	162.4	178.7	0	0	0	0	107.4
117	D	31.3	Very low	32.2	Very low	103 Å²	103	109.8 Å²	109.8	55%	0.551	62%	0.618	S	S	*	*	S	Bend	trans	64.7	112.6	-170.5	-82.9	-0.7	0	0	0	115.9	R194	D117-R194 IonicContact OD1-NH2 2.61Å; D117-R194 IonicContact OD2-CZ 3.5Å; D117-R194 IonicContact OD2-NH2 2.66Å; D117-R194 PolarHBondContact OD2-NH2 3.04Å
118	R	35.9	Very low	32.8	Very low	228 Å²	228	113.2 Å²	113.2	86%	0.86	63%	0.625	S	S	*	*	S	Bend	trans	147	5.8	136.3	-76	161.1	-170.7	-150.3	2.7	119.9	K120	R118-K120 PolarHBondContact O-N 3.28Å
119	G	37.7	Very low	33.4	Very low	89 Å²	89	111.1 Å²	111.1	92%	0.918	62%	0.616	S	S	*	*			trans	66.2	43.4	157.3	0	0	0	0	0	117.2
120	K	38.6	Very low	34.2	Very low	143 Å²	143	110 Å²	110	62%	0.622	60%	0.595	S	S	*	*			trans	-122.1	153.9	164.4	-72.5	-172.8	179	-178	0	110.2	R118 I125	R118-K120 PolarHBondContact O-N 3.28Å; K120-I125 HydrophobicContact CB-CG1 4.2Å
121	P	34.6	Very low	34.8	Very low	73 Å²	73	114.9 Å²	114.9	47%	0.474	61%	0.606	S	S	.	*			trans	-68.6	143.6	175.4	29.4	-34.3	0	0	0	111	I123 E124	P121-I123 PolarHBondContact O-N 3.06Å; P121-E124 HydrophobicContact CG-CB 4.27Å; P121-E124 VanDerWaalsContact CG-CD 3.45Å; P121-E124 HydrophobicContact CG-CG 3.94Å; P121-E124 PolarHBondContact O-N 3.33Å
122	A	32.7	Very low	35.7	Very low	61 Å²	61	110.8 Å²	110.8	50%	0.504	59%	0.59	S	S	.	*	G	3₁₀ helix	trans	-56.2	-31.9	-167.6	0	0	0	0	0	114.7	E124 I125 R130	A122-E124 PolarHBondContact O-N 3.02Å; A122-I125 PolarHBondContact O-N 3.5Å; A122-I125 VanDerWaalsContact O-N 3.16Å; A122-R130 PolarHBondContact O-NH2 3.41Å
123	I	40	Very low	36.8	Very low	162 Å²	162	109.4 Å²	109.4	83%	0.831	58%	0.579	S	S	*	*	G	3₁₀ helix	trans	-70.1	-17.1	-179.9	-151.3	163.9	0	0	0	113.5	P121	P121-I123 PolarHBondContact O-N 3.06Å
124	E	42.2	Very low	37.8	Very low	128 Å²	128	109.1 Å²	109.1	60%	0.598	58%	0.575	S	S	*	*	G	3₁₀ helix	trans	-100.5	-0.3	175.1	-60.9	176.2	-171.6	0	0	112.7	P121 A122	P121-E124 HydrophobicContact CG-CB 4.27Å; P121-E124 VanDerWaalsContact CG-CD 3.45Å; P121-E124 HydrophobicContact CG-CG 3.94Å; P121-E124 PolarHBondContact O-N 3.33Å; A122-E124 PolarHBondContact O-N 3.02Å
125	I	42.1	Very low	38.8	Very low	29 Å²	29	108 Å²	108	15%	0.149	57%	0.568	C	S	.	*	S	Bend	trans	-91.6	118.8	171.1	-58.1	178.4	0	0	0	107	K120 A122 E129 R130	K120-I125 HydrophobicContact CB-CG1 4.2Å; A122-I125 PolarHBondContact O-N 3.5Å; A122-I125 VanDerWaalsContact O-N 3.16Å; I125-E129 HydrophobicContact CG2-CB 3.61Å; I125-R130 HydrophobicContact CG2-CG 4.01Å; I125-R130 PolarHBondContact O-NH2 3.5Å
126	D	46.1	Very low	39.7	Very low	112 Å²	112	110 Å²	110	60%	0.599	57%	0.571	S	S	*	*			trans	-56.2	150.8	179.4	-147.7	-31.2	0	0	0	110.4	E128 E129	D126-E128 PolarHBondContact O-N 3.03Å; D126-E128 VanDerWaalsContact O-N 3.08Å; D126-E129 PolarHBondContact O-N 3.2Å
127	I	44.2	Very low	41	Very low	82 Å²	82	106.1 Å²	106.1	42%	0.421	55%	0.547	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-19.4	-167.3	-153.9	164	0	0	0	112.4
128	E	40.3	Very low	42	Very low	180 Å²	180	102.7 Å²	102.7	84%	0.841	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-16.2	174.7	-56.2	-168.6	169.4	0	0	114.2	D126 R130	D126-E128 PolarHBondContact O-N 3.03Å; D126-E128 VanDerWaalsContact O-N 3.08Å; E128-R130 PolarHBondContact O-N 3.11Å
129	E	36.6	Very low	42.8	Very low	138 Å²	138	95.7 Å²	95.7	65%	0.645	51%	0.508	S	S	*	.	S	Bend	trans	-93.5	13.9	-174.7	-75.9	-157.1	142.1	0	0	114.5	I125 D126	I125-E129 HydrophobicContact CG2-CB 3.61Å; D126-E129 PolarHBondContact O-N 3.2Å
130	R	41.9	Very low	43.8	Very low	81 Å²	81	95.1 Å²	95.1	31%	0.306	48%	0.484	S	S	.	.			trans	-100	140	179.6	-59.9	-168	-162.4	169.9	10.8	110	A113 T114 A122 I125 E128	A113-R130 HydrophobicContact CB-CB 3.58Å; A113-R130 WeakPolarHBondContact CB-O 3.33Å; T114-R130 CarbonylContact O-C 3.53Å; T114-R130 WeakPolarHBondContact O-CA 3.5Å; T114-R130 WeakPolarHBondContact O-CB 3.37Å; T114-R130 WeakPolarHBondContact O-CG 3.49Å; A122-R130 PolarHBondContact O-NH2 3.41Å; I125-R130 HydrophobicContact CG2-CG 4.01Å; I125-R130 PolarHBondContact O-NH2 3.5Å; E128-R130 PolarHBondContact O-N 3.11Å
131	Q	38.2	Very low	45.2	Very low	148 Å²	148	88.6 Å²	88.6	69%	0.692	46%	0.456	S	S	*	.			trans	-133	145	175.1	-62	-169.4	25.6	0	0	117.2	A113 T114 A115	A113-Q131 VanDerWaalsContact CB-C 3.42Å; A113-Q131 VanDerWaalsContact CB-CA 3.43Å; T114-Q131 CarbonylContact C-O 3.57Å; T114-Q131 WeakPolarHBondContact CA-O 3.39Å; T114-Q131 PolarHBondContact O-N 3Å; T114-Q131 PolarHBondContact OG1-O 3.48Å; A115-Q131 PolarHBondContact N-O 3.42Å
132	P	43.2	Very low	46.6	Very low	72 Å²	72	90.5 Å²	90.5	47%	0.468	46%	0.457	S	S	.	.			trans	-35.4	159.8	179.3	45.2	-25.2	0	0	0	126	A113	A113-P132 HydrophobicContact CB-CB 4.12Å; A113-P132 HydrophobicContact CB-CG 3.81Å
133	R	44.8	Very low	48.3	Very low	156 Å²	156	93.5 Å²	93.5	59%	0.589	47%	0.465	S	S	*	.				92.7	104.4	126.7	-54.9	134.5	-174.5	-97.7	7.8	122	V135 N136	R133-V135 VanDerWaalsContact C-N 3.31Å; R133-V135 HydrophobicContact CB-CB 4.4Å; R133-V135 HydrophobicContact CG-CB 4.4Å; R133-N136 WeakPolarHBondContact CD-OD1 3.41Å; R133-N136 PolarHBondContact NH1-OD1 2.91Å
134	C	47.3	Very low	49.6	Very low	26 Å²	26	88.6 Å²	88.6	18%	0.176	44%	0.438	C	S	.	.	S	Bend	trans	-77.3	-19.7	135.1	-71.9	0	0	0	0	111.9	N136 V137 L138 C151	C134-N136 VanDerWaalsContact C-N 3.28Å; C134-N136 PolarHBondContact O-N 3.13Å; C134-V137 PolarHBondContact O-N 2.99Å; C134-L138 PolarHBondContact O-N 3.27Å; C134-C151 VanDerWaalsContact CA-SG 3.54Å; C134-C151 HydrophobicContact CB-CB 4.06Å; C134-C151 WeakPolarHBondContact CB-SG 3.07Å; C134-C151 WeakPolarHBondContact SG-CB 3.42Å; C134-C151 CovalentContact SG-SG 2.04Å; C134-C151 PolarHBondContact SG-SG 2.86Å
135	V	44.8	Very low	51.2	Low	66 Å²	66	85.8 Å²	85.8	40%	0.4	43%	0.43	S	S	.	.	H	α-helix	trans	-53.7	-39.5	-172.3	177.5	0	0	0	0	113.3	R133 V137 L138 L456	R133-V135 VanDerWaalsContact C-N 3.31Å; R133-V135 HydrophobicContact CB-CB 4.4Å; R133-V135 HydrophobicContact CG-CB 4.4Å; V135-V137 VanDerWaalsContact C-N 3.29Å; V135-V137 PolarHBondContact O-N 2.88Å; V135-L138 PolarHBondContact O-N 2.94Å; V135-L456 HydrophobicContact CG1-CD1 4.35Å; V135-L456 HydrophobicContact CG1-CD2 4.11Å
136	N	46.5	Very low	52.8	Low	99 Å²	99	87 Å²	87	53%	0.529	45%	0.449	S	S	.	.	H	α-helix	trans	-68.7	-26	179.7	-70.3	25.4	0	0	0	113.2	R133 C134	R133-N136 WeakPolarHBondContact CD-OD1 3.41Å; R133-N136 PolarHBondContact NH1-OD1 2.91Å; C134-N136 VanDerWaalsContact C-N 3.28Å; C134-N136 PolarHBondContact O-N 3.13Å
137	V	52.1	Low	54	Low	53 Å²	53	86.4 Å²	86.4	32%	0.321	44%	0.443	S	S	.	.	H	α-helix	trans	-82.5	-25.6	-177.4	-177.5	0	0	0	0	111.4	C134 V135 L139 Q149 R163	C134-V137 PolarHBondContact O-N 2.99Å; V135-V137 VanDerWaalsContact C-N 3.29Å; V135-V137 PolarHBondContact O-N 2.88Å; V137-L139 PolarHBondContact O-N 3.03Å; V137-Q149 HydrophobicContact CG1-CB 4.07Å; V137-R163 PolarHBondContact O-NE 3.09Å; V137-R163 PolarHBondContact O-NH1 2.98Å; V137-R163 VanDerWaalsContact O-NH1 3.17Å; V137-R163 PolarHBondContact O-NH2 3.36Å; V137-R163 VanDerWaalsContact O-NH2 3.17Å
138	L	52	Low	55.5	Low	30 Å²	30	86 Å²	86	16%	0.157	44%	0.444	C	S	.	.	H	α-helix	trans	-70.3	-33.7	-173.6	-71.3	169.5	0	0	0	113.7	C134 V135 M161 R163 F171 M173	C134-L138 PolarHBondContact O-N 3.27Å; V135-L138 PolarHBondContact O-N 2.94Å; L138-M161 HydrophobicContact CD2-SD 3.92Å; L138-R163 PolarHBondContact O-NH1 3.04Å; L138-F171 WeakPolarHBondContact O-CE1 3.49Å; L138-M173 HydrophobicContact CD2-CE 4.02Å; L138-M173 HydrophobicContact CD2-SD 3.63Å
139	L	53.1	Low	56.6	Low	82 Å²	82	79.3 Å²	79.3	43%	0.429	41%	0.412	S	S	.	.	H	α-helix	trans	-100.8	-18.2	-162.7	-62	177.4	0	0	0	115.7	V137 L456 L457	V137-L139 PolarHBondContact O-N 3.03Å; L139-L456 HydrophobicContact CD1-CB 4.5Å; L139-L457 HydrophobicContact CD2-CD2 3.57Å; L139-L457 HydrophobicContact CD2-CG 4.5Å
140	D	59.2	Low	57.7	Low	76 Å²	76	77 Å²	77	41%	0.406	40%	0.404	S	S	.	.			trans	-103	107.5	-177.8	-166.5	-10.2	0	0	0	111.8	F142 R163	D140-F142 WeakPolarHBondContact OD1-CB 3.46Å; D140-F142 PolarHBondContact OD1-N 3.3Å; D140-R163 PolarHBondContact O-NH1 3.24Å; D140-R163 PolarHBondContact O-NH2 3.19Å
141	C	67.2	Low	58.4	Low	6 Å²	6	74.3 Å²	74.3	4%	0.041	40%	0.398	C	S	.	.			trans	-106.8	-0.3	167.7	-81.2	0	0	0	0	113.1	N143 H144 V145 R163 C165	C141-N143 VanDerWaalsContact C-N 3.29Å; C141-N143 PolarHBondContact O-N 3.35Å; C141-H144 PolarHBondContact O-N 3.42Å; C141-V145 VanDerWaalsContact O-CG2 3.28Å; C141-V145 WeakPolarHBondContact O-CG2 3.49Å; C141-V145 PolarHBondContact O-N 3.17Å; C141-R163 PolarHBondContact SG-NH1 3.42Å; C141-C165 WeakPolarHBondContact CA-SG 3.47Å; C141-C165 HydrophobicContact CB-CB 3.72Å; C141-C165 WeakPolarHBondContact CB-SG 3.4Å; C141-C165 WeakPolarHBondContact SG-CB 3.45Å; C141-C165 CovalentContact SG-SG 2.04Å; C141-C165 PolarHBondContact SG-SG 3.47Å
142	F	64.2	Low	59.1	Low	114 Å²	114	74.5 Å²	74.5	50%	0.5	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-35.4	-164.6	-163	-90.2	0	0	0	112.6	D140 K168	D140-F142 WeakPolarHBondContact OD1-CB 3.46Å; D140-F142 PolarHBondContact OD1-N 3.3Å; F142-K168 HydrophobicContact CD2-CB 4.33Å; F142-K168 HydrophobicContact CD2-CD 3.9Å; F142-K168 HydrophobicContact CD2-CG 4.47Å; F142-K168 HydrophobicContact CE2-CD 3.83Å; F142-K168 HydrophobicContact CG-CD 4.34Å; F142-K168 HydrophobicContact CZ-CD 4.22Å
143	N	68.9	Low	59.3	Low	124 Å²	124	73.3 Å²	73.3	66%	0.663	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.8	2	177	-65.2	-29.4	0	0	0	113.8	C141	C141-N143 VanDerWaalsContact C-N 3.29Å; C141-N143 PolarHBondContact O-N 3.35Å
144	H	67.2	Low	59.1	Low	58 Å²	58	77.7 Å²	77.7	27%	0.269	40%	0.401	S	S	.	.			trans	-121.3	17	-169.2	-64.1	-67.5	0	0	0	113.7	C141 G146 E147 Q149 C165	C141-H144 PolarHBondContact O-N 3.42Å; H144-G146 PolarHBondContact O-N 2.94Å; H144-E147 HydrophobicContact CB-CB 4.45Å; H144-E147 IonicContact CE1-OE2 2.62Å; H144-E147 IonicContact CG-OE2 3.13Å; H144-E147 IonicContact ND1-OE2 3.38Å; H144-E147 PolarHBondContact ND1-OE2 3.04Å; H144-E147 WeakPolarHBondContact O-CB 3.37Å; H144-E147 PolarHBondContact O-N 2.87Å; H144-Q149 VanDerWaalsContact CG-NE2 3.33Å; H144-Q149 PolarHBondContact ND1-NE2 2.9Å; H144-C165 VanDerWaalsContact O-CB 3.31Å; H144-C165 WeakPolarHBondContact O-CB 3.4Å
145	V	74.9	Confident	58.6	Low	70 Å²	70	84.2 Å²	84.2	42%	0.424	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	124.2	179.9	-175.7	0	0	0	0	110.9	C141 E147 K168	C141-V145 VanDerWaalsContact O-CG2 3.28Å; C141-V145 WeakPolarHBondContact O-CG2 3.49Å; C141-V145 PolarHBondContact O-N 3.17Å; V145-E147 VanDerWaalsContact C-N 3.34Å; V145-K168 HydrophobicContact CG2-CG 3.84Å
146	G	76.6	Confident	58	Low	54 Å²	54	88.3 Å²	88.3	56%	0.557	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.2	-14.6	-175.5	0	0	0	0	0	115	H144 C165	H144-G146 PolarHBondContact O-N 2.94Å; G146-C165 PolarHBondContact N-O 3.15Å
147	E	71.6	Confident	57.6	Low	99 Å²	99	86.2 Å²	86.2	46%	0.463	45%	0.451	S	S	.	.			trans	-78.6	146.8	176.7	-61.9	-169.6	160	0	0	112.1	H144 V145 K164 C165	H144-E147 HydrophobicContact CB-CB 4.45Å; H144-E147 IonicContact CE1-OE2 2.62Å; H144-E147 IonicContact CG-OE2 3.13Å; H144-E147 IonicContact ND1-OE2 3.38Å; H144-E147 PolarHBondContact ND1-OE2 3.04Å; H144-E147 WeakPolarHBondContact O-CB 3.37Å; H144-E147 PolarHBondContact O-N 2.87Å; V145-E147 VanDerWaalsContact C-N 3.34Å; E147-K164 WeakPolarHBondContact O-CA 3.48Å; E147-C165 PolarHBondContact O-N 3.47Å
148	V	74.1	Confident	57	Low	73 Å²	73	85.9 Å²	85.9	44%	0.442	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	121.2	172	-178.9	0	0	0	0	108.4	L150 E162 R163 K164	V148-L150 HydrophobicContact CG1-CD2 4.3Å; V148-E162 HydrophobicContact CG1-CG 3.48Å; V148-E162 VanDerWaalsContact CG1-CG 3.48Å; V148-R163 CarbonylContact C-O 3.23Å; V148-R163 WeakPolarHBondContact CA-O 3.48Å; V148-K164 HydrophobicContact CG2-CB 4.13Å; V148-K164 HydrophobicContact CG2-CD 4.23Å; V148-K164 HydrophobicContact CG2-CG 3.98Å
149	Q	64.8	Low	56.9	Low	40 Å²	40	88.1 Å²	88.1	19%	0.187	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	133.2	-177.1	-67.3	176.8	-16.4	0	0	109.8	V137 H144 R163	V137-Q149 HydrophobicContact CG1-CB 4.07Å; H144-Q149 VanDerWaalsContact CG-NE2 3.33Å; H144-Q149 PolarHBondContact ND1-NE2 2.9Å; Q149-R163 PolarHBondContact N-O 2.75Å; Q149-R163 PolarHBondContact O-N 3.17Å
150	L	59.8	Low	57	Low	90 Å²	90	86.2 Å²	86.2	47%	0.471	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	134.1	-174.7	-55.6	179.5	0	0	0	110.2	V148 F160 M161 E162	V148-L150 HydrophobicContact CG1-CD2 4.3Å; L150-F160 HydrophobicContact CD1-CE2 4.03Å; L150-F160 HydrophobicContact CD1-CZ 3.79Å; L150-F160 HydrophobicContact CD2-CE1 3.97Å; L150-F160 HydrophobicContact CD2-CE2 4.29Å; L150-F160 HydrophobicContact CD2-CZ 3.54Å; L150-F160 HydrophobicContact CG-CZ 4.18Å; L150-M161 WeakPolarHBondContact CA-O 3.33Å; L150-E162 HydrophobicContact CD2-CB 3.83Å; L150-E162 HydrophobicContact CD2-CG 3.83Å
151	C	56.9	Low	57.1	Low	25 Å²	25	83.5 Å²	83.5	17%	0.169	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	158.4	171.2	-146.8	0	0	0	0	112	C134 M161	C134-C151 VanDerWaalsContact CA-SG 3.54Å; C134-C151 HydrophobicContact CB-CB 4.06Å; C134-C151 WeakPolarHBondContact CB-SG 3.07Å; C134-C151 WeakPolarHBondContact SG-CB 3.42Å; C134-C151 CovalentContact SG-SG 2.04Å; C134-C151 PolarHBondContact SG-SG 2.86Å; C151-M161 PolarHBondContact N-O 3.11Å; C151-M161 WeakPolarHBondContact O-CB 3.46Å; C151-M161 PolarHBondContact O-N 3.3Å; C151-M161 VanDerWaalsContact O-N 3.07Å
152	Y	52.4	Low	57.2	Low	152 Å²	152	85.9 Å²	85.9	60%	0.596	45%	0.448	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.8	122.5	-178.4	-60.1	-92.3	0	0	0	109.4	F160	Y152-F160 AromaticContact CE1-CD2 3.82Å; Y152-F160 HydrophobicContact CE1-CD2 3.82Å; Y152-F160 HydrophobicContact CE1-CE2 4.45Å
153	T	47.6	Very low	57.5	Low	47 Å²	47	80.7 Å²	80.7	29%	0.288	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	122.9	178.5	56.7	0	0	0	0	111	Q155 M161	T153-Q155 PolarHBondContact O-N 2.76Å; T153-M161 HydrophobicContact CG2-CE 4.22Å
154	W	39.1	Very low	58.1	Low	248 Å²	248	78.7 Å²	78.7	94%	0.939	41%	0.41	S	S	*	.			trans	-93.9	92.9	176.6	-90.3	86.5	0	0	0	112.1
155	Q	36.8	Very low	58.4	Low	162 Å²	162	76 Å²	76	76%	0.757	40%	0.398	S	S	*	.	S	Bend	trans	-156.5	123.4	153.4	-112.6	175.9	0.3	0	0	109.4	T153	T153-Q155 PolarHBondContact O-N 2.76Å
156	N	33.7	Very low	58.5	Low	153 Å²	153	77.2 Å²	77.2	82%	0.818	40%	0.401	S	S	*	.	S	Bend	trans	59.7	49.7	172.3	-59.1	-9.5	0	0	0	117.3
157	G	38.4	Very low	58.7	Low	55 Å²	55	77.1 Å²	77.1	57%	0.567	39%	0.388	S	S	*	.	S	Bend	trans	100.9	141.4	175.1	0	0	0	0	0	112.2	M159	G157-M159 PolarHBondContact O-N 3.05Å
158	A	38.7	Very low	58.6	Low	45 Å²	45	77.4 Å²	77.4	37%	0.372	39%	0.388	S	S	.	.			trans	-64.9	119.3	-170	0	0	0	0	0	112	P178	A158-P178 HydrophobicContact CB-CG 3.83Å; A158-P178 WeakPolarHBondContact O-CD 3.23Å
159	M	49.7	Very low	58.1	Low	77 Å²	77	80.4 Å²	80.4	38%	0.379	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	122.2	165.2	-66.8	-170.4	-68.7	0	0	109	G157 M175	G157-M159 PolarHBondContact O-N 3.05Å; M159-M175 HydrophobicContact CB-CE 3.78Å; M159-M175 HydrophobicContact CE-CE 3.7Å; M159-M175 HydrophobicContact CG-CE 4.34Å; M159-M175 HydrophobicContact SD-CE 3.69Å
160	F	55	Low	57.7	Low	43 Å²	43	84.6 Å²	84.6	19%	0.189	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	127.8	170.2	176.7	-91.1	0	0	0	108.1	L150 Y152 E162 M175 T176	L150-F160 HydrophobicContact CD1-CE2 4.03Å; L150-F160 HydrophobicContact CD1-CZ 3.79Å; L150-F160 HydrophobicContact CD2-CE1 3.97Å; L150-F160 HydrophobicContact CD2-CE2 4.29Å; L150-F160 HydrophobicContact CD2-CZ 3.54Å; L150-F160 HydrophobicContact CG-CZ 4.18Å; Y152-F160 AromaticContact CE1-CD2 3.82Å; Y152-F160 HydrophobicContact CE1-CD2 3.82Å; Y152-F160 HydrophobicContact CE1-CE2 4.45Å; F160-E162 HydrophobicContact CE1-CB 4.05Å; F160-M175 CarbonylContact O-C 3.52Å; F160-M175 VanDerWaalsContact O-CA 3.31Å; F160-M175 WeakPolarHBondContact O-CA 3.29Å; F160-T176 WeakPolarHBondContact CB-O 3.16Å; F160-T176 VanDerWaalsContact CD1-OG1 3.31Å; F160-T176 WeakPolarHBondContact CD1-OG1 3.17Å; F160-T176 PolarHBondContact N-O 3.2Å; F160-T176 PolarHBondContact O-N 3.13Å
161	M	62	Low	58.5	Low	18 Å²	18	83.7 Å²	83.7	9%	0.089	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	116.8	-178.7	-179.1	-173.9	-73.2	0	0	109.8	L138 L150 C151 T153 M173 M175	L138-M161 HydrophobicContact CD2-SD 3.92Å; L150-M161 WeakPolarHBondContact CA-O 3.33Å; C151-M161 PolarHBondContact N-O 3.11Å; C151-M161 WeakPolarHBondContact O-CB 3.46Å; C151-M161 PolarHBondContact O-N 3.3Å; C151-M161 VanDerWaalsContact O-N 3.07Å; T153-M161 HydrophobicContact CG2-CE 4.22Å; M161-M173 HydrophobicContact CE-CE 3.66Å; M161-M173 HydrophobicContact CG-CE 3.89Å; M161-M173 HydrophobicContact SD-CE 3.47Å; M161-M173 WeakPolarHBondContact SD-CE 3.39Å; M161-M175 HydrophobicContact CB-CG 4.48Å; M161-M175 HydrophobicContact CE-CE 3.77Å; M161-M175 HydrophobicContact CE-CG 4.41Å; M161-M175 HydrophobicContact CE-SD 3.85Å; M161-M175 HydrophobicContact CG-CG 4.32Å
162	E	69.4	Low	59	Low	56 Å²	56	87.5 Å²	87.5	26%	0.262	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	117.5	175.3	-179.5	-174.9	168.7	0	0	108.5	V148 L150 F160 M173 K174	V148-E162 HydrophobicContact CG1-CG 3.48Å; V148-E162 VanDerWaalsContact CG1-CG 3.48Å; L150-E162 HydrophobicContact CD2-CB 3.83Å; L150-E162 HydrophobicContact CD2-CG 3.83Å; F160-E162 HydrophobicContact CE1-CB 4.05Å; E162-M173 CarbonylContact O-C 3.07Å; E162-M173 WeakPolarHBondContact O-CA 3.39Å; E162-K174 HydrophobicContact CB-CB 4.32Å; E162-K174 PolarHBondContact N-O 2.75Å; E162-K174 PolarHBondContact O-N 3.4Å
163	R	71	Confident	59.8	Low	6 Å²	6	83.7 Å²	83.7	2%	0.023	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	133.2	172.8	-173.4	-173.5	80.3	135.6	3.1	109.5	V137 L138 D140 C141 V148 Q149 C165 F171 E172 M173	V137-R163 PolarHBondContact O-NE 3.09Å; V137-R163 PolarHBondContact O-NH1 2.98Å; V137-R163 VanDerWaalsContact O-NH1 3.17Å; V137-R163 PolarHBondContact O-NH2 3.36Å; V137-R163 VanDerWaalsContact O-NH2 3.17Å; L138-R163 PolarHBondContact O-NH1 3.04Å; D140-R163 PolarHBondContact O-NH1 3.24Å; D140-R163 PolarHBondContact O-NH2 3.19Å; C141-R163 PolarHBondContact SG-NH1 3.42Å; V148-R163 CarbonylContact C-O 3.23Å; V148-R163 WeakPolarHBondContact CA-O 3.48Å; Q149-R163 PolarHBondContact N-O 2.75Å; Q149-R163 PolarHBondContact O-N 3.17Å; R163-C165 VanDerWaalsContact CZ-SG 3.51Å; R163-C165 PolarHBondContact NH2-SG 3.23Å; R163-F171 HydrophobicContact CG-CB 3.89Å; R163-F171 HydrophobicContact CG-CD2 4.01Å; R163-F171 HydrophobicContact CG-CG 4.06Å; R163-E172 CarbonylContact C-O 3.57Å; R163-E172 WeakPolarHBondContact CA-O 3.39Å; R163-M173 HydrophobicContact CB-CG 4Å; R163-M173 HydrophobicContact CG-CG 3.9Å
164	K	79.8	Confident	60.6	Low	82 Å²	82	87 Å²	87	36%	0.357	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	120	173.7	-179.9	-178.2	176.6	-171.4	0	110.3	E147 V148 L166 F171 E172	E147-K164 WeakPolarHBondContact O-CA 3.48Å; V148-K164 HydrophobicContact CG2-CB 4.13Å; V148-K164 HydrophobicContact CG2-CD 4.23Å; V148-K164 HydrophobicContact CG2-CG 3.98Å; K164-L166 HydrophobicContact CD-CD2 4.45Å; K164-L166 PolarHBondContact O-N 3.43Å; K164-F171 CarbonylContact O-C 3.58Å; K164-F171 WeakPolarHBondContact O-CA 3.48Å; K164-F171 WeakPolarHBondContact O-CB 3.41Å; K164-E172 HydrophobicContact CB-CB 4.43Å; K164-E172 PolarHBondContact N-O 3.23Å; K164-E172 PolarHBondContact O-N 3.23Å
165	C	74.2	Confident	61.6	Low	2 Å²	2	79.4 Å²	79.4	1%	0.014	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	122.1	175	-68.1	0	0	0	0	110.5	C141 H144 G146 E147 R163	C141-C165 WeakPolarHBondContact CA-SG 3.47Å; C141-C165 HydrophobicContact CB-CB 3.72Å; C141-C165 WeakPolarHBondContact CB-SG 3.4Å; C141-C165 WeakPolarHBondContact SG-CB 3.45Å; C141-C165 CovalentContact SG-SG 2.04Å; C141-C165 PolarHBondContact SG-SG 3.47Å; H144-C165 VanDerWaalsContact O-CB 3.31Å; H144-C165 WeakPolarHBondContact O-CB 3.4Å; G146-C165 PolarHBondContact N-O 3.15Å; E147-C165 PolarHBondContact O-N 3.47Å; R163-C165 VanDerWaalsContact CZ-SG 3.51Å; R163-C165 PolarHBondContact NH2-SG 3.23Å
166	L	77.4	Confident	62.5	Low	94 Å²	94	74 Å²	74	49%	0.492	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	-40.8	178.9	-59.7	179.6	0	0	0	111.5	K164 K170 E172	K164-L166 HydrophobicContact CD-CD2 4.45Å; K164-L166 PolarHBondContact O-N 3.43Å; L166-K170 HydrophobicContact CB-CB 4.32Å; L166-K170 PolarHBondContact N-O 3.36Å; L166-E172 HydrophobicContact CD1-CB 4.19Å; L166-E172 HydrophobicContact CD2-CB 4.3Å; L166-E172 HydrophobicContact CG-CB 4.23Å
167	D	79.9	Confident	63.2	Low	53 Å²	53	75.5 Å²	75.5	28%	0.283	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	-179.4	170.1	70.5	52.3	0	0	0	109.5	N169 K170	D167-N169 PolarHBondContact O-N 2.81Å; D167-N169 WeakPolarHBondContact OD1-CA 3.44Å; D167-N169 PolarHBondContact OD1-N 3.38Å; D167-K170 PolarHBondContact N-O 3.02Å; D167-K170 VanDerWaalsContact N-O 3.15Å; D167-K170 PolarHBondContact O-N 2.97Å; D167-K170 PolarHBondContact OD1-N 2.96Å; D167-K170 WeakPolarHBondContact OD2-CD 3.4Å; D167-K170 WeakPolarHBondContact OD2-CE 3.21Å; D167-K170 WeakPolarHBondContact OD2-CG 3.46Å; D167-K170 IonicContact OD2-NZ 3.49Å; D167-K170 PolarHBondContact OD2-NZ 3.41Å
168	K	70.1	Confident	63.7	Low	105 Å²	105	74.8 Å²	74.8	46%	0.457	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-22.9	-177.3	-68.9	-169.5	168.7	-161.3	0	114.1	F142 V145	F142-K168 HydrophobicContact CD2-CB 4.33Å; F142-K168 HydrophobicContact CD2-CD 3.9Å; F142-K168 HydrophobicContact CD2-CG 4.47Å; F142-K168 HydrophobicContact CE2-CD 3.83Å; F142-K168 HydrophobicContact CG-CD 4.34Å; F142-K168 HydrophobicContact CZ-CD 4.22Å; V145-K168 HydrophobicContact CG2-CG 3.84Å
169	N	63.7	Low	63.8	Low	136 Å²	136	79 Å²	79	73%	0.727	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.5	4	-174.5	-62.3	-21.2	0	0	0	112.9	D167	D167-N169 PolarHBondContact O-N 2.81Å; D167-N169 WeakPolarHBondContact OD1-CA 3.44Å; D167-N169 PolarHBondContact OD1-N 3.38Å
170	K	56.5	Low	63.5	Low	127 Å²	127	78.9 Å²	78.9	55%	0.552	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.8	136.8	-179	-64.4	-175	-160	141.4	0	112	L166 D167	L166-K170 HydrophobicContact CB-CB 4.32Å; L166-K170 PolarHBondContact N-O 3.36Å; D167-K170 PolarHBondContact N-O 3.02Å; D167-K170 VanDerWaalsContact N-O 3.15Å; D167-K170 PolarHBondContact O-N 2.97Å; D167-K170 PolarHBondContact OD1-N 2.96Å; D167-K170 WeakPolarHBondContact OD2-CD 3.4Å; D167-K170 WeakPolarHBondContact OD2-CE 3.21Å; D167-K170 WeakPolarHBondContact OD2-CG 3.46Å; D167-K170 IonicContact OD2-NZ 3.49Å; D167-K170 PolarHBondContact OD2-NZ 3.41Å
171	F	75.5	Confident	62.5	Low	72 Å²	72	85.1 Å²	85.1	32%	0.316	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	154.8	167.9	55.8	-95.9	0	0	0	111.1	L138 R163 K164 M173	L138-F171 WeakPolarHBondContact O-CE1 3.49Å; R163-F171 HydrophobicContact CG-CB 3.89Å; R163-F171 HydrophobicContact CG-CD2 4.01Å; R163-F171 HydrophobicContact CG-CG 4.06Å; K164-F171 CarbonylContact O-C 3.58Å; K164-F171 WeakPolarHBondContact O-CA 3.48Å; K164-F171 WeakPolarHBondContact O-CB 3.41Å; F171-M173 HydrophobicContact CD2-CG 3.81Å; F171-M173 HydrophobicContact CD2-SD 4Å; F171-M173 HydrophobicContact CE2-CG 3.95Å; F171-M173 HydrophobicContact CE2-SD 3.52Å; F171-M173 VanDerWaalsContact CE2-SD 3.52Å; F171-M173 HydrophobicContact CZ-SD 4.46Å
172	E	68.6	Low	61	Low	105 Å²	105	91.4 Å²	91.4	49%	0.491	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	141	165.7	-179.1	174	-149.6	0	0	108.1	R163 K164 L166	R163-E172 CarbonylContact C-O 3.57Å; R163-E172 WeakPolarHBondContact CA-O 3.39Å; K164-E172 HydrophobicContact CB-CB 4.43Å; K164-E172 PolarHBondContact N-O 3.23Å; K164-E172 PolarHBondContact O-N 3.23Å; L166-E172 HydrophobicContact CD1-CB 4.19Å; L166-E172 HydrophobicContact CD2-CB 4.3Å; L166-E172 HydrophobicContact CG-CB 4.23Å
173	M	69.2	Low	59.1	Low	72 Å²	72	95 Å²	95	36%	0.355	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	128.5	174.4	-90.3	177.3	55.3	0	0	110.2	L138 M161 E162 R163 F171	L138-M173 HydrophobicContact CD2-CE 4.02Å; L138-M173 HydrophobicContact CD2-SD 3.63Å; M161-M173 HydrophobicContact CE-CE 3.66Å; M161-M173 HydrophobicContact CG-CE 3.89Å; M161-M173 HydrophobicContact SD-CE 3.47Å; M161-M173 WeakPolarHBondContact SD-CE 3.39Å; E162-M173 CarbonylContact O-C 3.07Å; E162-M173 WeakPolarHBondContact O-CA 3.39Å; R163-M173 HydrophobicContact CB-CG 4Å; R163-M173 HydrophobicContact CG-CG 3.9Å; F171-M173 HydrophobicContact CD2-CG 3.81Å; F171-M173 HydrophobicContact CD2-SD 4Å; F171-M173 HydrophobicContact CE2-CG 3.95Å; F171-M173 HydrophobicContact CE2-SD 3.52Å; F171-M173 VanDerWaalsContact CE2-SD 3.52Å; F171-M173 HydrophobicContact CZ-SD 4.46Å
174	K	63.7	Low	57.1	Low	116 Å²	116	103.8 Å²	103.8	50%	0.504	54%	0.541	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	121.8	178.2	-178.3	-177.3	177.2	-170.2	0	108.6	E162 T176	E162-K174 HydrophobicContact CB-CB 4.32Å; E162-K174 PolarHBondContact N-O 2.75Å; E162-K174 PolarHBondContact O-N 3.4Å; K174-T176 HydrophobicContact CG-CG2 4.22Å
175	M	59.7	Low	54.9	Low	89 Å²	89	105 Å²	105	44%	0.438	56%	0.557	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.1	127.4	175.2	-64	-172.4	71.2	0	0	109.3	M159 F160 M161	M159-M175 HydrophobicContact CB-CE 3.78Å; M159-M175 HydrophobicContact CE-CE 3.7Å; M159-M175 HydrophobicContact CG-CE 4.34Å; M159-M175 HydrophobicContact SD-CE 3.69Å; F160-M175 CarbonylContact O-C 3.52Å; F160-M175 VanDerWaalsContact O-CA 3.31Å; F160-M175 WeakPolarHBondContact O-CA 3.29Å; M161-M175 HydrophobicContact CB-CG 4.48Å; M161-M175 HydrophobicContact CE-CE 3.77Å; M161-M175 HydrophobicContact CE-CG 4.41Å; M161-M175 HydrophobicContact CE-SD 3.85Å; M161-M175 HydrophobicContact CG-CG 4.32Å
176	T	57.3	Low	52.7	Low	49 Å²	49	112.6 Å²	112.6	30%	0.301	60%	0.597	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-128.8	154.5	177.1	58.6	0	0	0	0	110.4	F160 K174	F160-T176 WeakPolarHBondContact CB-O 3.16Å; F160-T176 VanDerWaalsContact CD1-OG1 3.31Å; F160-T176 WeakPolarHBondContact CD1-OG1 3.17Å; F160-T176 PolarHBondContact N-O 3.2Å; F160-T176 PolarHBondContact O-N 3.13Å; K174-T176 HydrophobicContact CG-CG2 4.22Å
177	K	47.8	Very low	50.1	Low	184 Å²	184	115.5 Å²	115.5	80%	0.8	61%	0.612	S	S	*	*	P	Polyproline II helix	trans	-70.6	135.7	158.5	-77.3	177.6	177.1	171.6	0	107.8
178	P	47.7	Very low	47.5	Very low	39 Å²	39	122.2 Å²	122.2	25%	0.253	64%	0.642	S	S	.	*	P	Polyproline II helix	trans	-63.5	134.9	173.4	27.1	-32.8	0	0	0	109.6	A158	A158-P178 HydrophobicContact CB-CG 3.83Å; A158-P178 WeakPolarHBondContact O-CD 3.23Å
179	P	41.1	Very low	45.6	Very low	135 Å²	135	122.1 Å²	122.1	88%	0.877	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.7	135.8	175.4	27.7	-33.3	0	0	0	110.2
180	G	43	Very low	43.7	Very low	74 Å²	74	124 Å²	124	76%	0.763	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	109.4	18.3	175.9	0	0	0	0	0	116.6	D182	G180-D182 PolarHBondContact O-N 3.39Å; G180-D182 VanDerWaalsContact O-N 3.1Å
181	F	35.7	Very low	42.1	Very low	174 Å²	174	122.3 Å²	122.3	76%	0.763	67%	0.674	S	S	*	*			trans	-85.5	54.2	175.1	-130	-85.6	0	0	0	113.2
182	D	29.3	Very low	39.7	Very low	149 Å²	149	127.9 Å²	127.9	80%	0.797	70%	0.698	S	S	*	*	S	Bend	trans	-137.5	120.5	166.4	-85.4	-48.1	0	0	0	109.2	G180	G180-D182 PolarHBondContact O-N 3.39Å; G180-D182 VanDerWaalsContact O-N 3.1Å
183	S	30.6	Very low	37.6	Very low	131 Å²	131	134.7 Å²	134.7	92%	0.916	72%	0.719	S	S	*	*	S	Bend	trans	73.1	160.2	174.3	73.5	0	0	0	0	119.8
184	E	28.7	Very low	35.3	Very low	192 Å²	192	140.6 Å²	140.6	90%	0.897	74%	0.738	S	S	*	*			trans	-92.6	173.9	-157.6	-100.4	-161	152.5	0	0	115.7
185	P	33.5	Very low	33.6	Very low	107 Å²	107	140.3 Å²	140.3	70%	0.695	75%	0.748	S	S	*	*			trans	-107.9	178.7	-141.9	42.5	-38.9	0	0	0	115.8
186	N	27	Very low	31.9	Very low	162 Å²	162	140.8 Å²	140.8	87%	0.866	76%	0.76	S	S	*	*			trans	-145.6	147.4	157.9	-127.8	-22.1	0	0	0	112.5
187	L	24.3	Very low	30.3	Very low	154 Å²	154	144.4 Å²	144.4	81%	0.806	78%	0.782	S	S	*	*			trans	-85.8	141.1	178.4	-76.4	80.8	0	0	0	111.2
188	E	25.3	Very low	29.3	Very low	195 Å²	195	143.4 Å²	143.4	91%	0.911	78%	0.784	S	S	*	*				170.6	151.1	119.2	-95.5	-171.2	165.7	0	0	112.6
189	A	28.8	Very low	28.1	Very low	103 Å²	103	149.3 Å²	149.3	85%	0.851	81%	0.813	S	S	*	*			trans	125.5	86	155.8	0	0	0	0	0	116
190	L	23.8	Very low	27.6	Very low	174 Å²	174	147.9 Å²	147.9	91%	0.911	80%	0.804	S	S	*	*			trans	-94.4	134.2	158.9	-90.3	159.5	0	0	0	110.3
191	S	23.9	Very low	26.7	Very low	92 Å²	92	152 Å²	152	64%	0.643	80%	0.803	S	S	*	*				159.8	155.2	118.7	65.6	0	0	0	0	115.6
192	K	24.1	Very low	26.1	Very low	190 Å²	190	150.5 Å²	150.5	83%	0.826	80%	0.803	S	S	*	*			trans	72.8	117.6	163.4	-56	160.6	-171.1	174.4	0	115.1
193	R	24.5	Very low	26	Very low	247 Å²	247	150 Å²	150	93%	0.932	81%	0.805	S	S	*	*			cis	-161.1	152.2	49.9	-69.8	178.5	177	-168.6	-2.8	113.6
194	R	22	Very low	25.8	Very low	197 Å²	197	152.6 Å²	152.6	74%	0.743	80%	0.802	S	S	*	*			trans	-116.2	172.2	146.5	-83.4	-170.6	-175.4	-177.3	5.8	105.9	D117	D117-R194 IonicContact OD1-NH2 2.61Å; D117-R194 IonicContact OD2-CZ 3.5Å; D117-R194 IonicContact OD2-NH2 2.66Å; D117-R194 PolarHBondContact OD2-NH2 3.04Å
195	P	28.4	Very low	25.6	Very low	110 Å²	110	150.1 Å²	150.1	71%	0.714	80%	0.8	S	S	*	*			cis	-145.7	176.1	22.4	41.2	-19.9	0	0	0	119.1
196	S	23.1	Very low	25.2	Very low	98 Å²	98	152.4 Å²	152.4	69%	0.685	81%	0.806	S	S	*	*			trans	56	127.3	141.5	63	0	0	0	0	122.9
197	T	24.7	Very low	25.2	Very low	126 Å²	126	150 Å²	150	77%	0.773	80%	0.799	S	S	*	*				-168.1	134.2	110.5	16.6	0	0	0	0	114.1
198	L	25.4	Very low	25.2	Very low	162 Å²	162	147.1 Å²	147.1	85%	0.848	80%	0.798	S	S	*	*			trans	53.2	120.1	138.6	-60.9	166	0	0	0	123.4
199	L	24.2	Very low	25.3	Very low	163 Å²	163	145.3 Å²	145.3	85%	0.853	79%	0.793	S	S	*	*			trans	-70.6	169.9	144.5	-72.6	172.3	0	0	0	109.9
200	P	29.6	Very low	25.1	Very low	105 Å²	105	148 Å²	148	68%	0.682	79%	0.793	S	S	*	*			cis	-154.3	-170.8	33.8	45.2	-23.5	0	0	0	119.4
201	H	24.4	Very low	25.3	Very low	162 Å²	162	146 Å²	146	75%	0.75	78%	0.783	S	S	*	*			trans	70.3	101.4	151.9	-80.9	-66.8	0	0	0	120.6
202	D	23.7	Very low	25.4	Very low	141 Å²	141	150.7 Å²	150.7	75%	0.754	80%	0.795	S	S	*	*				159.1	126.3	92.5	-88.5	-18.1	0	0	0	112.3
203	V	26	Very low	25.6	Very low	139 Å²	139	149.7 Å²	149.7	84%	0.842	80%	0.798	S	S	*	*			trans	-129.8	116.5	169.1	177.4	0	0	0	0	108.7
204	Q	26.8	Very low	25.7	Very low	185 Å²	185	142.8 Å²	142.8	86%	0.864	79%	0.788	S	S	*	*			trans	-73.2	127.7	176.6	-68.7	177.2	-9.4	0	0	110.5	L206	Q204-L206 PolarHBondContact O-N 3.03Å
205	V	23.8	Very low	25.9	Very low	140 Å²	140	137 Å²	137	85%	0.848	78%	0.778	S	S	*	*			trans	-77.9	114.4	169.6	177.1	0	0	0	0	108.4
206	L	26	Very low	26.1	Very low	156 Å²	156	137.2 Å²	137.2	82%	0.817	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-74.7	143	168.7	-84.9	162.6	0	0	0	110.2	Q204	Q204-L206 PolarHBondContact O-N 3.03Å
207	P	26.4	Very low	26.5	Very low	110 Å²	110	142.1 Å²	142.1	71%	0.714	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-74	140.9	-170.6	29.8	-34.8	0	0	0	112.1	L209	P207-L209 PolarHBondContact O-N 2.57Å
208	A	24.9	Very low	26.7	Very low	95 Å²	95	144.1 Å²	144.1	79%	0.785	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-61.2	131.4	173.7	0	0	0	0	0	111.1	N210	A208-N210 PolarHBondContact O-N 2.97Å
209	L	28	Very low	27	Very low	156 Å²	156	145 Å²	145	82%	0.817	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-68.3	126.2	167.1	-115.3	85.8	0	0	0	109.2	P207 N211	P207-L209 PolarHBondContact O-N 2.57Å; L209-N211 VanDerWaalsContact C-N 3.26Å; L209-N211 PolarHBondContact O-N 2.97Å
210	N	24.6	Very low	27.7	Very low	159 Å²	159	140.6 Å²	140.6	85%	0.85	77%	0.769	S	S	*	*			trans	-68.3	81.2	169.4	-81.8	-24.2	0	0	0	110.7	A208	A208-N210 PolarHBondContact O-N 2.97Å
211	N	28	Very low	28.3	Very low	132 Å²	132	141.5 Å²	141.5	71%	0.706	78%	0.778	S	S	*	*			trans	-85.3	118.2	152.4	-82.3	-4.8	0	0	0	107.7	L209 L213	L209-N211 VanDerWaalsContact C-N 3.26Å; L209-N211 PolarHBondContact O-N 2.97Å; N211-L213 VanDerWaalsContact C-N 3.32Å; N211-L213 PolarHBondContact O-N 3.08Å
212	Q	25.8	Very low	29.2	Very low	191 Å²	191	137 Å²	137	89%	0.893	76%	0.762	S	S	*	*			trans	-65.1	94.7	172.3	-72	179.3	-22.7	0	0	108.8	S214	Q212-S214 PolarHBondContact O-N 3.22Å; Q212-S214 VanDerWaalsContact O-N 3.09Å
213	L	27.2	Very low	30.9	Very low	170 Å²	170	133.8 Å²	133.8	89%	0.89	75%	0.748	S	S	*	*			trans	-68.5	100.1	166.8	-80.2	162.1	0	0	0	107.9	N211 S215	N211-L213 VanDerWaalsContact C-N 3.32Å; N211-L213 PolarHBondContact O-N 3.08Å; L213-S215 PolarHBondContact O-N 3.49Å
214	S	26.9	Very low	32.8	Very low	102 Å²	102	129 Å²	129	71%	0.713	72%	0.718	S	S	*	*			trans	-51	133.4	164	-53	0	0	0	0	109.2	Q212	Q212-S214 PolarHBondContact O-N 3.22Å; Q212-S214 VanDerWaalsContact O-N 3.09Å
215	S	25.5	Very low	34.5	Very low	76 Å²	76	122.9 Å²	122.9	53%	0.531	69%	0.689	S	S	.	*			trans	-58.4	138.2	-178.3	47.5	0	0	0	0	111.5	L213 Y217	L213-S215 PolarHBondContact O-N 3.49Å; S215-Y217 PolarHBondContact O-N 3.47Å
216	P	32.6	Very low	36.3	Very low	114 Å²	114	124.7 Å²	124.7	74%	0.74	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.8	28.8	-171.9	31.6	-36.9	0	0	0	114.9
217	Y	32.5	Very low	38.2	Very low	200 Å²	200	121.4 Å²	121.4	78%	0.784	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.1	11	-173.3	-63.5	-67.2	0	0	0	115.1	S215 M219	S215-Y217 PolarHBondContact O-N 3.47Å; Y217-M219 PolarHBondContact O-N 2.81Å
218	E	28.4	Very low	40.2	Very low	168 Å²	168	117 Å²	117	79%	0.785	63%	0.631	S	S	*	*			trans	-74.6	90.4	165	-78.5	-166.6	139	0	0	110.2	S220	E218-S220 PolarHBondContact O-N 3.16Å
219	M	33	Very low	42.2	Very low	182 Å²	182	115.3 Å²	115.3	90%	0.897	61%	0.609	S	S	*	*			trans	-65.2	115.6	165.2	-77.9	-171.7	-77.3	0	0	109.4	Y217 S221	Y217-M219 PolarHBondContact O-N 2.81Å; M219-S221 PolarHBondContact O-N 3.16Å
220	S	38.2	Very low	44	Very low	70 Å²	70	113.1 Å²	113.1	49%	0.49	60%	0.597	S	S	.	*			trans	-51.8	125.5	167.2	168.7	0	0	0	0	109.9	E218 V222	E218-S220 PolarHBondContact O-N 3.16Å; S220-V222 PolarHBondContact O-N 3.45Å; S220-V222 PolarHBondContact OG-N 2.96Å; S220-V222 VanDerWaalsContact OG-N 3.17Å; S220-V222 PolarHBondContact OG-O 3.38Å
221	S	40.9	Very low	46	Very low	123 Å²	123	111.1 Å²	111.1	86%	0.86	58%	0.581	S	S	*	*	S	Bend	trans	-71	-6.4	174.1	54.9	0	0	0	0	113.5	M219	M219-S221 PolarHBondContact O-N 3.16Å
222	V	43.4	Very low	47.7	Very low	69 Å²	69	105.4 Å²	105.4	42%	0.418	55%	0.552	S	S	.	*	S	Bend	trans	-99.9	125.2	173	-165.2	0	0	0	0	108.6	S220 I224 R226	S220-V222 PolarHBondContact O-N 3.45Å; S220-V222 PolarHBondContact OG-N 2.96Å; S220-V222 VanDerWaalsContact OG-N 3.17Å; S220-V222 PolarHBondContact OG-O 3.38Å; V222-I224 PolarHBondContact O-N 3.21Å; V222-R226 HydrophobicContact CG1-CB 4.45Å
223	P	60	Low	49.5	Very low	72 Å²	72	101 Å²	101	47%	0.468	53%	0.534	S	S	.	.			trans	-55.1	131.9	175.1	-26.1	34.4	0	0	0	111.5	E225 R226	P223-E225 PolarHBondContact O-N 3.37Å; P223-R226 WeakPolarHBondContact O-CB 3.34Å; P223-R226 PolarHBondContact O-N 2.94Å
224	I	65.9	Low	51.3	Low	40 Å²	40	95.7 Å²	95.7	21%	0.205	51%	0.511	C	S	.	.	H	α-helix	trans	-56	-40.2	-173.1	-63.9	173.6	0	0	0	110.6	V222 R226 Q227 E228 H471	V222-I224 PolarHBondContact O-N 3.21Å; I224-R226 PolarHBondContact O-N 3.26Å; I224-Q227 PolarHBondContact O-N 3.42Å; I224-Q227 VanDerWaalsContact O-N 3.16Å; I224-E228 HydrophobicContact CG2-CG 4.12Å; I224-E228 WeakPolarHBondContact CG2-OE1 3.21Å; I224-E228 WeakPolarHBondContact O-CG 3.1Å; I224-E228 PolarHBondContact O-N 3.12Å; I224-H471 HydrophobicContact CG2-CB 3.88Å
225	E	62.6	Low	52.8	Low	55 Å²	55	93.8 Å²	93.8	26%	0.257	49%	0.491	S	S	.	.	H	α-helix	trans	-56.8	-37	178	-45.4	84.9	-127.6	0	0	113	P223 Q227 E228 N229 K598	P223-E225 PolarHBondContact O-N 3.37Å; E225-Q227 VanDerWaalsContact C-N 3.3Å; E225-Q227 PolarHBondContact O-N 3Å; E225-E228 PolarHBondContact O-N 3.21Å; E225-N229 VanDerWaalsContact O-CB 3.27Å; E225-N229 WeakPolarHBondContact O-CB 3.17Å; E225-N229 PolarHBondContact O-N 3.02Å; E225-K598 VanDerWaalsContact CD-CE 3.4Å; E225-K598 VanDerWaalsContact CG-CE 3.44Å; E225-K598 WeakPolarHBondContact OE1-CE 3.47Å; E225-K598 IonicContact OE1-NZ 3.67Å; E225-K598 PolarHBondContact OE1-NZ 2.88Å
226	R	60.9	Low	54.4	Low	179 Å²	179	93.8 Å²	93.8	68%	0.675	48%	0.483	S	S	*	.	H	α-helix	trans	-68	-37.6	-175.8	-147	179	-164.6	-171.1	5.6	110.1	V222 P223 I224 L230	V222-R226 HydrophobicContact CG1-CB 4.45Å; P223-R226 WeakPolarHBondContact O-CB 3.34Å; P223-R226 PolarHBondContact O-N 2.94Å; I224-R226 PolarHBondContact O-N 3.26Å; R226-L230 WeakPolarHBondContact O-CB 3.49Å; R226-L230 VanDerWaalsContact O-CD1 3.31Å; R226-L230 WeakPolarHBondContact O-CD1 3.28Å; R226-L230 WeakPolarHBondContact O-CG 3.06Å; R226-L230 PolarHBondContact O-N 3.15Å; R226-L230 VanDerWaalsContact O-N 3.08Å
227	Q	66.6	Low	55.7	Low	87 Å²	87	93.9 Å²	93.9	41%	0.407	47%	0.474	S	S	.	.	H	α-helix	trans	-75.3	-37.2	176.5	-163.7	171.4	13.8	0	0	112.2	I224 E225 K231	I224-Q227 PolarHBondContact O-N 3.42Å; I224-Q227 VanDerWaalsContact O-N 3.16Å; E225-Q227 VanDerWaalsContact C-N 3.3Å; E225-Q227 PolarHBondContact O-N 3Å; Q227-K231 WeakPolarHBondContact O-CB 3.27Å; Q227-K231 PolarHBondContact O-N 3.48Å
228	E	69.1	Low	57.2	Low	17 Å²	17	89 Å²	89	8%	0.079	46%	0.462	C	S	.	.	H	α-helix	trans	-65.1	-49.4	174.1	-75.7	178.8	-176.2	0	0	112.4	I224 E225 L230 K231 A232 Y365 R472	I224-E228 HydrophobicContact CG2-CG 4.12Å; I224-E228 WeakPolarHBondContact CG2-OE1 3.21Å; I224-E228 WeakPolarHBondContact O-CG 3.1Å; I224-E228 PolarHBondContact O-N 3.12Å; E225-E228 PolarHBondContact O-N 3.21Å; E228-L230 PolarHBondContact O-N 3.12Å; E228-K231 WeakPolarHBondContact O-CB 3.2Å; E228-K231 PolarHBondContact O-N 3.4Å; E228-A232 PolarHBondContact O-N 2.8Å; E228-Y365 HydrophobicContact CB-CD2 3.87Å; E228-Y365 HydrophobicContact CB-CE2 4.46Å; E228-Y365 HydrophobicContact CG-CD2 4.11Å; E228-Y365 HydrophobicContact CG-CE2 4.47Å; E228-Y365 VanDerWaalsContact OE2-CB 3.26Å; E228-Y365 WeakPolarHBondContact OE2-CB 3.29Å; E228-R472 IonicContact OE1-CZ 3.92Å; E228-R472 IonicContact OE1-NH1 3.29Å; E228-R472 PolarHBondContact OE1-NH1 2.75Å; E228-R472 IonicContact OE1-NH2 3.86Å; E228-R472 PolarHBondContact OE1-NH2 2.84Å; E228-R472 IonicContact OE2-CZ 2.75Å; E228-R472 IonicContact OE2-NH1 3.33Å; E228-R472 IonicContact OE2-NH2 3.63Å; E228-R472 PolarHBondContact OE2-NH2 3.12Å
229	N	65.7	Low	58.5	Low	60 Å²	60	83.3 Å²	83.3	32%	0.321	44%	0.436	S	S	.	.	H	α-helix	trans	-66.4	-37.1	178.2	-72.7	-11.4	0	0	0	111.7	E225 A232 L233	E225-N229 VanDerWaalsContact O-CB 3.27Å; E225-N229 WeakPolarHBondContact O-CB 3.17Å; E225-N229 PolarHBondContact O-N 3.02Å; N229-A232 PolarHBondContact O-N 2.69Å; N229-L233 WeakPolarHBondContact O-CB 3.4Å; N229-L233 PolarHBondContact O-N 2.71Å
230	L	65.5	Low	59.6	Low	110 Å²	110	77.5 Å²	77.5	58%	0.576	41%	0.408	S	S	*	.	H	α-helix	trans	-66	-36.5	172.9	-77.1	170.2	0	0	0	112.5	R226 E228 S234	R226-L230 WeakPolarHBondContact O-CB 3.49Å; R226-L230 VanDerWaalsContact O-CD1 3.31Å; R226-L230 WeakPolarHBondContact O-CD1 3.28Å; R226-L230 WeakPolarHBondContact O-CG 3.06Å; R226-L230 PolarHBondContact O-N 3.15Å; R226-L230 VanDerWaalsContact O-N 3.08Å; E228-L230 PolarHBondContact O-N 3.12Å; L230-S234 VanDerWaalsContact O-CB 3.23Å; L230-S234 WeakPolarHBondContact O-CB 3.5Å; L230-S234 PolarHBondContact O-N 3.13Å
231	K	67.6	Low	60.4	Low	117 Å²	117	78.8 Å²	78.8	51%	0.509	41%	0.41	S	S	.	.	H	α-helix	trans	-62.4	-52.6	172	-88.5	-177.1	173.3	179.4	0	111.1	Q227 E228 L233 S234 Q235	Q227-K231 WeakPolarHBondContact O-CB 3.27Å; Q227-K231 PolarHBondContact O-N 3.48Å; E228-K231 WeakPolarHBondContact O-CB 3.2Å; E228-K231 PolarHBondContact O-N 3.4Å; K231-L233 PolarHBondContact O-N 2.87Å; K231-S234 WeakPolarHBondContact O-CB 3.5Å; K231-S234 PolarHBondContact O-N 3.41Å; K231-Q235 WeakPolarHBondContact O-CG 3.37Å; K231-Q235 PolarHBondContact O-N 3.2Å; K231-Q235 PolarHBondContact O-OE1 3.09Å; K231-Q235 VanDerWaalsContact O-OE1 3.05Å
232	A	63.2	Low	60.9	Low	12 Å²	12	81.7 Å²	81.7	10%	0.099	40%	0.401	C	S	.	.	H	α-helix	trans	-58.2	-44.3	179.2	0	0	0	0	0	112.2	E228 N229 S234 Q235 H236	E228-A232 PolarHBondContact O-N 2.8Å; N229-A232 PolarHBondContact O-N 2.69Å; A232-S234 PolarHBondContact O-N 3.13Å; A232-Q235 PolarHBondContact O-N 3.49Å; A232-H236 VanDerWaalsContact O-CB 3.29Å; A232-H236 WeakPolarHBondContact O-CB 3.5Å; A232-H236 PolarHBondContact O-N 2.95Å
233	L	63.4	Low	61.1	Low	98 Å²	98	82.6 Å²	82.6	51%	0.513	40%	0.404	S	S	.	.	H	α-helix	trans	-62.4	-38.9	174.1	-85.8	159.7	0	0	0	113	N229 K231 M237	N229-L233 WeakPolarHBondContact O-CB 3.4Å; N229-L233 PolarHBondContact O-N 2.71Å; K231-L233 PolarHBondContact O-N 2.87Å; L233-M237 WeakPolarHBondContact O-CG 3.26Å; L233-M237 PolarHBondContact O-N 3.39Å
234	S	64.4	Low	60.5	Low	59 Å²	59	86 Å²	86	41%	0.413	41%	0.412	S	S	.	.	H	α-helix	trans	-68.6	-41.4	176.8	-174.5	0	0	0	0	112.1	L230 K231 A232 M237 N238	L230-S234 VanDerWaalsContact O-CB 3.23Å; L230-S234 WeakPolarHBondContact O-CB 3.5Å; L230-S234 PolarHBondContact O-N 3.13Å; K231-S234 WeakPolarHBondContact O-CB 3.5Å; K231-S234 PolarHBondContact O-N 3.41Å; A232-S234 PolarHBondContact O-N 3.13Å; S234-M237 PolarHBondContact O-N 3.13Å; S234-N238 PolarHBondContact O-N 2.84Å; S234-N238 PolarHBondContact O-ND2 3.02Å
235	Q	60	Low	59.5	Low	62 Å²	62	87.1 Å²	87.1	29%	0.29	43%	0.427	S	S	.	.	H	α-helix	trans	-61.9	-49.1	173.4	-74.1	159.2	-63	0	0	110.5	K231 A232 M237 N238 E239 D361	K231-Q235 WeakPolarHBondContact O-CG 3.37Å; K231-Q235 PolarHBondContact O-N 3.2Å; K231-Q235 PolarHBondContact O-OE1 3.09Å; K231-Q235 VanDerWaalsContact O-OE1 3.05Å; A232-Q235 PolarHBondContact O-N 3.49Å; Q235-M237 VanDerWaalsContact C-N 3.34Å; Q235-M237 PolarHBondContact O-N 2.83Å; Q235-N238 PolarHBondContact O-N 3.35Å; Q235-E239 PolarHBondContact O-N 3.42Å; Q235-D361 HydrophobicContact CB-CB 4.19Å; Q235-D361 HydrophobicContact CG-CB 4.49Å; Q235-D361 PolarHBondContact NE2-OD1 2.67Å; Q235-D361 PolarHBondContact NE2-OD2 3.06Å
236	H	58.1	Low	58.6	Low	76 Å²	76	92 Å²	92	35%	0.352	45%	0.449	S	S	.	.	H	α-helix	trans	-57.3	-39.8	175.5	178.8	-88.3	0	0	0	113.6	A232 N240 M362	A232-H236 VanDerWaalsContact O-CB 3.29Å; A232-H236 WeakPolarHBondContact O-CB 3.5Å; A232-H236 PolarHBondContact O-N 2.95Å; H236-N240 PolarHBondContact CE1-ND2 3.09Å; H236-N240 PolarHBondContact ND1-ND2 3.23Å; H236-N240 PolarHBondContact NE2-ND2 2.72Å; H236-N240 WeakPolarHBondContact O-CB 3.32Å; H236-N240 PolarHBondContact O-N 2.82Å; H236-N240 PolarHBondContact O-ND2 3.41Å; H236-M362 VanDerWaalsContact CD2-CE 3.43Å; H236-M362 WeakPolarHBondContact CD2-CE 3.48Å
237	M	60.3	Low	57.7	Low	115 Å²	115	90.5 Å²	90.5	57%	0.567	46%	0.455	S	S	*	.	H	α-helix	trans	-69.2	-37.7	174.6	-77.6	-163.4	-75.7	0	0	112.4	L233 S234 Q235 N241	L233-M237 WeakPolarHBondContact O-CG 3.26Å; L233-M237 PolarHBondContact O-N 3.39Å; S234-M237 PolarHBondContact O-N 3.13Å; Q235-M237 VanDerWaalsContact C-N 3.34Å; Q235-M237 PolarHBondContact O-N 2.83Å; M237-N241 WeakPolarHBondContact O-CB 3.39Å; M237-N241 PolarHBondContact O-N 3.06Å; M237-N241 PolarHBondContact O-ND2 3.24Å
238	N	64.9	Low	56	Low	98 Å²	98	89.6 Å²	89.6	52%	0.524	46%	0.463	S	S	.	.	H	α-helix	trans	-69.1	-38.9	176.7	-76	-28.2	0	0	0	112.7	S234 Q235 N241 R242	S234-N238 PolarHBondContact O-N 2.84Å; S234-N238 PolarHBondContact O-ND2 3.02Å; Q235-N238 PolarHBondContact O-N 3.35Å; N238-N241 PolarHBondContact O-N 2.99Å; N238-R242 PolarHBondContact O-N 3.03Å
239	E	55.7	Low	54.2	Low	49 Å²	49	97.6 Å²	97.6	23%	0.229	50%	0.5	C	S	.	.	H	α-helix	trans	-68	-43.6	174.9	-71.2	-169.4	134.6	0	0	112.1	Q235 N241 R242 N243 M362	Q235-E239 PolarHBondContact O-N 3.42Å; E239-N241 PolarHBondContact O-N 2.83Å; E239-R242 WeakPolarHBondContact O-CB 3.47Å; E239-R242 PolarHBondContact O-N 3.02Å; E239-R242 VanDerWaalsContact O-N 3.12Å; E239-N243 VanDerWaalsContact O-CG 3.32Å; E239-N243 PolarHBondContact O-N 3.39Å; E239-M362 WeakPolarHBondContact OE2-CG 3.34Å
240	N	55.3	Low	52.6	Low	60 Å²	60	99.9 Å²	99.9	32%	0.321	52%	0.518	S	S	.	.	H	α-helix	trans	-62.8	-31.3	173.4	-83.7	-56.8	0	0	0	112.9	H236 K244	H236-N240 PolarHBondContact CE1-ND2 3.09Å; H236-N240 PolarHBondContact ND1-ND2 3.23Å; H236-N240 PolarHBondContact NE2-ND2 2.72Å; H236-N240 WeakPolarHBondContact O-CB 3.32Å; H236-N240 PolarHBondContact O-N 2.82Å; H236-N240 PolarHBondContact O-ND2 3.41Å; N240-K244 WeakPolarHBondContact O-CB 3.47Å; N240-K244 VanDerWaalsContact O-CG 3.25Å; N240-K244 WeakPolarHBondContact O-CG 3.42Å; N240-K244 PolarHBondContact O-N 2.87Å; N240-K244 VanDerWaalsContact O-N 3.1Å
241	N	56	Low	50.7	Low	97 Å²	97	104.8 Å²	104.8	52%	0.519	54%	0.535	S	S	.	.	H	α-helix	trans	-73.5	-35.6	173	-74.4	-22.5	0	0	0	112.3	M237 N238 E239 K244 A245	M237-N241 WeakPolarHBondContact O-CB 3.39Å; M237-N241 PolarHBondContact O-N 3.06Å; M237-N241 PolarHBondContact O-ND2 3.24Å; N238-N241 PolarHBondContact O-N 2.99Å; E239-N241 PolarHBondContact O-N 2.83Å; N241-K244 PolarHBondContact O-N 2.96Å; N241-A245 WeakPolarHBondContact O-CB 3.43Å; N241-A245 PolarHBondContact O-N 3.37Å
242	R	50.2	Low	48.8	Very low	183 Å²	183	105.2 Å²	105.2	69%	0.691	55%	0.547	S	S	*	.	H	α-helix	trans	-62.4	-50.5	170.1	-93.3	-178.7	163.6	163.2	-5.2	112	N238 E239 K244 A245 E246	N238-R242 PolarHBondContact O-N 3.03Å; E239-R242 WeakPolarHBondContact O-CB 3.47Å; E239-R242 PolarHBondContact O-N 3.02Å; E239-R242 VanDerWaalsContact O-N 3.12Å; R242-K244 PolarHBondContact O-N 3.07Å; R242-A245 PolarHBondContact O-N 3.2Å; R242-E246 PolarHBondContact O-N 3.43Å
243	N	47.1	Very low	47.1	Very low	88 Å²	88	111.8 Å²	111.8	47%	0.471	58%	0.581	S	S	.	*	H	α-helix	trans	-64.5	-24.5	179.7	-64.6	-12.1	0	0	0	112.5	E239 N247	E239-N243 VanDerWaalsContact O-CG 3.32Å; E239-N243 PolarHBondContact O-N 3.39Å; N243-N247 PolarHBondContact O-ND2 3.21Å
244	K	47.8	Very low	45.3	Very low	144 Å²	144	111.6 Å²	111.6	63%	0.626	59%	0.593	S	S	*	*	H	α-helix	trans	-80.8	-33.1	169.7	-76.6	174.9	-179.6	178.3	0	113.5	N240 N241 R242	N240-K244 WeakPolarHBondContact O-CB 3.47Å; N240-K244 VanDerWaalsContact O-CG 3.25Å; N240-K244 WeakPolarHBondContact O-CG 3.42Å; N240-K244 PolarHBondContact O-N 2.87Å; N240-K244 VanDerWaalsContact O-N 3.1Å; N241-K244 PolarHBondContact O-N 2.96Å; R242-K244 PolarHBondContact O-N 3.07Å
245	A	45.6	Very low	43.4	Very low	64 Å²	64	116.5 Å²	116.5	53%	0.529	62%	0.615	S	S	.	*	H	α-helix	trans	-71.3	-38.7	176.1	0	0	0	0	0	112.3	N241 R242 N247 A248	N241-A245 WeakPolarHBondContact O-CB 3.43Å; N241-A245 PolarHBondContact O-N 3.37Å; R242-A245 PolarHBondContact O-N 3.2Å; A245-N247 VanDerWaalsContact C-N 3.25Å; A245-N247 PolarHBondContact O-N 2.78Å; A245-A248 PolarHBondContact O-N 3.29Å
246	E	43.7	Very low	41.8	Very low	156 Å²	156	122.2 Å²	122.2	73%	0.729	65%	0.647	S	S	*	*	H	α-helix	trans	-68.6	-23.1	176.7	-70.5	-178.5	177.4	0	0	112.9	R242 A248	R242-E246 PolarHBondContact O-N 3.43Å; E246-A248 VanDerWaalsContact C-N 3.27Å; E246-A248 PolarHBondContact O-N 2.65Å
247	N	41.3	Very low	40.2	Very low	148 Å²	148	123.5 Å²	123.5	79%	0.791	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.6	9.4	170.6	-80.6	-65.9	0	0	0	113.9	N243 A245	N243-N247 PolarHBondContact O-ND2 3.21Å; A245-N247 VanDerWaalsContact C-N 3.25Å; A245-N247 PolarHBondContact O-N 2.78Å
248	A	30.5	Very low	38.6	Very low	69 Å²	69	122.9 Å²	122.9	57%	0.57	68%	0.677	S	S	*	*	S	Bend	trans	-139.3	43.7	-170	0	0	0	0	0	115.4	A245 E246	A245-A248 PolarHBondContact O-N 3.29Å; E246-A248 VanDerWaalsContact C-N 3.27Å; E246-A248 PolarHBondContact O-N 2.65Å
249	Q	32.7	Very low	36.8	Very low	185 Å²	185	129.7 Å²	129.7	86%	0.864	70%	0.695	S	S	*	*			trans	-139.5	149	154.7	-83.7	-152.1	-28	0	0	113.5
250	P	30.6	Very low	35.4	Very low	108 Å²	108	132 Å²	132	70%	0.701	72%	0.716	S	S	*	*			trans	-89.3	156.3	-174.1	36.3	-35.8	0	0	0	113.8	V252	P250-V252 PolarHBondContact O-N 2.85Å
251	F	26.2	Very low	33.8	Very low	212 Å²	212	135.5 Å²	135.5	93%	0.93	74%	0.74	S	S	*	*			trans	-13.1	111.5	159.6	-111.4	-100.2	0	0	0	116.5
252	V	28.4	Very low	32.4	Very low	126 Å²	126	139.6 Å²	139.6	76%	0.764	76%	0.756	S	S	*	*			trans	-144.6	120	150.4	-153.2	0	0	0	0	111	P250	P250-V252 PolarHBondContact O-N 2.85Å
253	D	27	Very low	31.1	Very low	150 Å²	150	135.9 Å²	135.9	80%	0.802	76%	0.758	S	S	*	*			trans	37.9	113.1	157.1	-58.9	-21.7	0	0	0	122.3
254	A	25	Very low	30.2	Very low	94 Å²	94	140.6 Å²	140.6	78%	0.777	78%	0.777	S	S	*	*			trans	-71.1	121.9	155.2	0	0	0	0	0	111
255	N	25.7	Very low	28.9	Very low	162 Å²	162	139.9 Å²	139.9	87%	0.866	79%	0.785	S	S	*	*			trans	-175.7	83.9	146.7	-98.2	-35.9	0	0	0	112.4
256	L	26.7	Very low	28	Very low	183 Å²	183	143 Å²	143	96%	0.958	80%	0.803	S	S	*	*			trans	-155.7	69.9	149.4	-152.6	69.3	0	0	0	113.1
257	A	24.1	Very low	27.2	Very low	102 Å²	102	138.9 Å²	138.9	84%	0.843	80%	0.802	S	S	*	*			trans	-122.9	88.4	168.7	0	0	0	0	0	110.1
258	S	25.3	Very low	26.3	Very low	102 Å²	102	139 Å²	139	71%	0.713	81%	0.808	S	S	*	*			trans	-172.4	111.4	162.3	-176.4	0	0	0	0	112.3
259	R	27.4	Very low	26.1	Very low	241 Å²	241	142.3 Å²	142.3	91%	0.909	82%	0.821	S	S	*	*			trans	173.5	78.6	154.3	-99.3	172.8	-174.1	-162.8	0.9	105.7
260	C	25.9	Very low	25.7	Very low	97 Å²	97	137.9 Å²	137.9	66%	0.655	82%	0.816	S	S	*	*				50.8	93.4	88.3	-58.1	0	0	0	0	110.6
261	T	23.2	Very low	25.3	Very low	134 Å²	134	136.6 Å²	136.6	82%	0.822	82%	0.822	S	S	*	*				54.3	90.3	78.7	69.7	0	0	0	0	113.4
262	E	26	Very low	25.2	Very low	183 Å²	183	132.4 Å²	132.4	86%	0.855	82%	0.819	S	S	*	*			trans	-120.7	120.1	153.1	-77.2	-167.1	159.5	0	0	109.6
263	S	22.8	Very low	24.9	Very low	106 Å²	106	136.2 Å²	136.2	74%	0.741	83%	0.826	S	S	*	*			trans	-82.8	130.5	167.4	51.5	0	0	0	0	109.7
264	Q	27.7	Very low	24.7	Very low	186 Å²	186	132.9 Å²	132.9	87%	0.869	83%	0.827	S	S	*	*			trans	-123.5	104.1	154.9	-72.6	-162	8	0	0	110.6
265	T	21.6	Very low	24.7	Very low	130 Å²	130	132.8 Å²	132.8	80%	0.798	82%	0.821	S	S	*	*			trans	-81.1	116.5	168	47.1	0	0	0	0	109.9
266	S	27.1	Very low	24.7	Very low	129 Å²	129	132.6 Å²	132.6	90%	0.902	82%	0.819	S	S	*	*			trans	-168.3	129.6	162.6	-79.9	0	0	0	0	108.4
267	G	25.9	Very low	24.8	Very low	69 Å²	69	128.4 Å²	128.4	71%	0.711	81%	0.805	S	S	*	*			cis	-164.4	152.3	-8.7	0	0	0	0	0	109.4	V269	G267-V269 PolarHBondContact O-N 3.07Å
268	V	22.4	Very low	25.4	Very low	150 Å²	150	126.4 Å²	126.4	91%	0.909	78%	0.782	S	S	*	*			trans	-74.1	118	178.3	176.1	0	0	0	0	109.4
269	V	27.2	Very low	25.9	Very low	139 Å²	139	125.5 Å²	125.5	84%	0.842	77%	0.774	S	S	*	*			trans	-124.6	112.9	163.5	-178.3	0	0	0	0	108	G267	G267-V269 PolarHBondContact O-N 3.07Å
270	A	22.7	Very low	26.9	Very low	93 Å²	93	118.2 Å²	118.2	77%	0.769	75%	0.752	S	S	*	*			trans	-80.2	143.7	172.7	0	0	0	0	0	110.4
271	G	22.7	Very low	28	Very low	81 Å²	81	114 Å²	114	84%	0.835	72%	0.723	S	S	*	*			trans	116.4	82.9	163.5	0	0	0	0	0	116.1
272	S	23.8	Very low	29.2	Very low	123 Å²	123	116.6 Å²	116.6	86%	0.86	72%	0.718	S	S	*	*			trans	-155.3	154.2	135	-163.7	0	0	0	0	109.7
273	F	23.5	Very low	30.3	Very low	206 Å²	206	108.4 Å²	108.4	90%	0.904	68%	0.68	S	S	*	*			trans	-64.6	144.8	-173.7	-90.6	-114	0	0	0	112.5	S275	F273-S275 PolarHBondContact O-N 3.23Å
274	G	22.9	Very low	31.4	Very low	80 Å²	80	107.8 Å²	107.8	83%	0.825	67%	0.668	S	S	*	*			trans	-67.3	101.3	-175.4	0	0	0	0	0	113.1
275	S	24.2	Very low	32.6	Very low	93 Å²	93	100.6 Å²	100.6	65%	0.65	64%	0.641	S	S	*	*			trans	-69.9	124	153.7	179.8	0	0	0	0	108.4	F273 S277	F273-S275 PolarHBondContact O-N 3.23Å; S275-S277 PolarHBondContact O-N 3.17Å
276	L	25.5	Very low	34.5	Very low	157 Å²	157	101.7 Å²	101.7	82%	0.822	64%	0.642	S	S	*	*			trans	-69.6	75.2	168.2	-89	157.4	0	0	0	109.5	V278	L276-V278 PolarHBondContact O-N 3.07Å
277	S	29.1	Very low	36.9	Very low	96 Å²	96	96.9 Å²	96.9	67%	0.671	61%	0.606	S	S	*	*			trans	-69.4	97	171.7	60.4	0	0	0	0	109.1	S275 P279	S275-S277 PolarHBondContact O-N 3.17Å; S277-P279 VanDerWaalsContact O-CD 3.23Å; S277-P279 WeakPolarHBondContact O-CD 3.25Å; S277-P279 VanDerWaalsContact O-N 3.17Å
278	V	35.7	Very low	39.6	Very low	60 Å²	60	99.7 Å²	99.7	36%	0.364	60%	0.604	S	S	.	*			trans	-57.1	117.9	170.2	-177.4	0	0	0	0	107.9	L276 L280	L276-V278 PolarHBondContact O-N 3.07Å; V278-L280 PolarHBondContact O-N 2.84Å
279	P	37.4	Very low	42.7	Very low	83 Å²	83	93.1 Å²	93.1	54%	0.539	56%	0.564	S	S	.	*			trans	-65.7	111.1	178.9	-19.3	32.7	0	0	0	109.1	S277 Y281	S277-P279 VanDerWaalsContact O-CD 3.23Å; S277-P279 WeakPolarHBondContact O-CD 3.25Å; S277-P279 VanDerWaalsContact O-N 3.17Å; P279-Y281 PolarHBondContact O-N 3.3Å
280	L	48.3	Very low	45.7	Very low	87 Å²	87	90.2 Å²	90.2	46%	0.455	54%	0.541	S	S	.	.			trans	-71.5	121.2	175.5	-72.7	169.8	0	0	0	109	V278 R282 A293 N916	V278-L280 PolarHBondContact O-N 2.84Å; L280-R282 PolarHBondContact O-N 3.05Å; L280-A293 HydrophobicContact CD1-CB 3.53Å; L280-N916 WeakPolarHBondContact CD2-OD1 3.45Å
281	Y	48.9	Very low	48.7	Very low	9 Å²	9	90.1 Å²	90.1	4%	0.035	52%	0.52	C	S	.	.			trans	-56.4	129.4	174.7	176.9	-85.8	0	0	0	110	P279 P283 F344 I348 E350 H911 E912 V915 N916	P279-Y281 PolarHBondContact O-N 3.3Å; Y281-P283 HydrophobicContact CE1-CB 3.8Å; Y281-P283 HydrophobicContact CE1-CG 4.17Å; Y281-F344 HydrophobicContact CD2-CE1 4.46Å; Y281-F344 HydrophobicContact CE2-CE1 4.28Å; Y281-I348 HydrophobicContact CD2-CD1 4.36Å; Y281-I348 HydrophobicContact CD2-CG2 3.24Å; Y281-I348 HydrophobicContact CE2-CG2 3.75Å; Y281-I348 HydrophobicContact CG-CG2 4.07Å; Y281-E350 PolarHBondContact OH-OE2 2.87Å; Y281-E350 VanDerWaalsContact OH-OE2 3.11Å; Y281-H911 AromaticContact CE1-CD2 3.79Å; Y281-H911 AromaticContact CZ-NE2 3.94Å; Y281-E912 HydrophobicContact CD1-CG 4.01Å; Y281-E912 HydrophobicContact CE1-CG 4.46Å; Y281-V915 HydrophobicContact CD1-CB 4.31Å; Y281-V915 HydrophobicContact CD1-CG1 4.31Å; Y281-V915 HydrophobicContact CD2-CB 4.36Å; Y281-V915 HydrophobicContact CD2-CG1 3.57Å; Y281-V915 HydrophobicContact CE2-CG1 4.37Å; Y281-V915 HydrophobicContact CG-CB 4.05Å; Y281-V915 HydrophobicContact CG-CG1 3.57Å; Y281-V915 HydrophobicContact CG-CG2 4.5Å; Y281-N916 PolarHBondContact N-OD1 3.47Å
282	R	47.2	Very low	51.5	Low	189 Å²	189	89 Å²	89	71%	0.713	50%	0.497	S	S	*	.			trans	-119.2	124.7	165.7	-70.5	-171.5	-177.7	-175.4	3	108.2	L280	L280-R282 PolarHBondContact O-N 3.05Å
283	P	49.8	Very low	54	Low	11 Å²	11	86.3 Å²	86.3	7%	0.071	48%	0.483	C	S	.	.			trans	-69.2	146.4	171.7	26.2	-29.7	0	0	0	110.3	Y281 A285 S908 E912	Y281-P283 HydrophobicContact CE1-CB 3.8Å; Y281-P283 HydrophobicContact CE1-CG 4.17Å; P283-A285 CarbonylContact O-C 3.57Å; P283-A285 PolarHBondContact O-N 2.76Å; P283-A285 VanDerWaalsContact O-N 3.16Å; P283-S908 VanDerWaalsContact CG-OG 3.28Å; P283-S908 WeakPolarHBondContact CG-OG 3.34Å; P283-E912 VanDerWaalsContact CD-CG 3.47Å; P283-E912 WeakPolarHBondContact CD-OE1 3.47Å; P283-E912 HydrophobicContact CG-CG 4.09Å
284	D	45.7	Very low	56.4	Low	92 Å²	92	80.4 Å²	80.4	49%	0.492	46%	0.46	S	S	.	.	S	Bend	trans	-66.3	-14.4	-177.8	-71.9	-68.5	0	0	0	114.5	D286	D284-D286 PolarHBondContact O-N 3.13Å
285	A	53.3	Low	58.8	Low	35 Å²	35	82 Å²	82	29%	0.289	46%	0.459	S	S	.	.	S	Bend	trans	-71.8	105.4	163	0	0	0	0	0	108.2	P283 I287 V892	P283-A285 CarbonylContact O-C 3.57Å; P283-A285 PolarHBondContact O-N 2.76Å; P283-A285 VanDerWaalsContact O-N 3.16Å; A285-I287 HydrophobicContact CB-CD1 4.33Å; A285-I287 HydrophobicContact CB-CG1 3.83Å; A285-I287 WeakPolarHBondContact O-CG1 3.31Å; A285-I287 PolarHBondContact O-N 3.34Å; A285-V892 HydrophobicContact CB-CB 4.19Å; A285-V892 HydrophobicContact CB-CG1 3.83Å
286	D	61.6	Low	60.8	Low	154 Å²	154	79.6 Å²	79.6	82%	0.824	45%	0.448	S	S	*	.			trans	-69.5	64.2	179.3	-167.7	17.1	0	0	0	111.8	D284 N288	D284-D286 PolarHBondContact O-N 3.13Å; D286-N288 PolarHBondContact O-N 3.18Å
287	I	76.5	Confident	62.4	Low	27 Å²	27	81.8 Å²	81.8	14%	0.138	45%	0.454	C	S	.	.			trans	-78.7	110.5	-175.7	-58.5	-86.6	0	0	0	107.3	A285 Y289 R291 V892 D904 V905	A285-I287 HydrophobicContact CB-CD1 4.33Å; A285-I287 HydrophobicContact CB-CG1 3.83Å; A285-I287 WeakPolarHBondContact O-CG1 3.31Å; A285-I287 PolarHBondContact O-N 3.34Å; I287-Y289 HydrophobicContact CB-CD1 4.45Å; I287-Y289 HydrophobicContact CG2-CD1 3.92Å; I287-Y289 WeakPolarHBondContact O-CD1 3.5Å; I287-Y289 PolarHBondContact O-N 3.11Å; I287-R291 PolarHBondContact O-NH1 2.87Å; I287-R291 PolarHBondContact O-NH2 2.71Å; I287-V892 HydrophobicContact CD1-CG1 4.15Å; I287-V892 HydrophobicContact CG1-CG1 4.48Å; I287-V892 HydrophobicContact CG1-CG2 4.35Å; I287-D904 HydrophobicContact CD1-CB 3.53Å; I287-V905 HydrophobicContact CG2-CB 4.42Å; I287-V905 HydrophobicContact CG2-CG2 3.66Å
288	N	82.4	Confident	64.1	Low	128 Å²	128	84.1 Å²	84.1	68%	0.684	45%	0.454	S	S	*	.			trans	-77.8	89.9	-177.3	-174	-12.1	0	0	0	111.1	D286 R461	D286-N288 PolarHBondContact O-N 3.18Å; N288-R461 VanDerWaalsContact C-NH1 3.34Å; N288-R461 PolarHBondContact O-NH1 2.95Å; N288-R461 PolarHBondContact OD1-NH1 2.77Å
289	Y	89.3	Confident	65.5	Low	13 Å²	13	83.6 Å²	83.6	5%	0.051	45%	0.451	C	S	.	.			trans	-133	159.6	167.2	78.5	-86.3	0	0	0	111.4	I287 R291 H454 N458 V905 Y909 E912	I287-Y289 HydrophobicContact CB-CD1 4.45Å; I287-Y289 HydrophobicContact CG2-CD1 3.92Å; I287-Y289 WeakPolarHBondContact O-CD1 3.5Å; I287-Y289 PolarHBondContact O-N 3.11Å; Y289-R291 HydrophobicContact CD2-CG 4.08Å; Y289-R291 HydrophobicContact CE1-CG 4.19Å; Y289-R291 HydrophobicContact CE2-CG 3.57Å; Y289-R291 PolarHBondContact O-N 2.95Å; Y289-H454 AromaticContact CD2-CE1 3.95Å; Y289-H454 AromaticContact CD2-ND1 3.99Å; Y289-H454 AromaticContact CE2-CE1 3.99Å; Y289-H454 AromaticContact CE2-ND1 3.85Å; Y289-N458 WeakPolarHBondContact CB-OD1 3.46Å; Y289-V905 HydrophobicContact CD1-CG1 4.31Å; Y289-V905 HydrophobicContact CD2-CG1 4.28Å; Y289-V905 HydrophobicContact CG-CG1 3.87Å; Y289-Y909 VanDerWaalsContact OH-CA 3.28Å; Y289-Y909 WeakPolarHBondContact OH-CA 3.44Å; Y289-Y909 PolarHBondContact OH-N 3Å; Y289-E912 PolarHBondContact OH-OE1 3.07Å; Y289-E912 PolarHBondContact OH-OE2 3.34Å
290	Q	88.8	Confident	66.9	Low	78 Å²	78	80.3 Å²	80.3	36%	0.364	43%	0.43	S	S	.	.			trans	-74.9	113.5	-179.3	-68	-179.2	-14.7	0	0	109.6	L457 N458	Q290-L457 HydrophobicContact CB-CB 4.06Å; Q290-L457 PolarHBondContact OE1-O 3.36Å; Q290-N458 WeakPolarHBondContact CB-OD1 3.42Å; Q290-N458 PolarHBondContact N-OD1 2.55Å; Q290-N458 PolarHBondContact O-ND2 3.36Å
291	R	86.9	Confident	67.9	Low	90 Å²	90	76.9 Å²	76.9	34%	0.34	42%	0.416	S	S	.	.			trans	-100.4	144.9	179.1	-69.4	173.5	174.9	89.6	-12.5	110.6	I287 Y289 E912	I287-R291 PolarHBondContact O-NH1 2.87Å; I287-R291 PolarHBondContact O-NH2 2.71Å; Y289-R291 HydrophobicContact CD2-CG 4.08Å; Y289-R291 HydrophobicContact CE1-CG 4.19Å; Y289-R291 HydrophobicContact CE2-CG 3.57Å; Y289-R291 PolarHBondContact O-N 2.95Å; R291-E912 WeakPolarHBondContact CD-OE2 3.17Å; R291-E912 IonicContact CZ-OE1 2.96Å; R291-E912 VanDerWaalsContact CZ-OE1 3.29Å; R291-E912 IonicContact CZ-OE2 3.3Å; R291-E912 VanDerWaalsContact NE-CD 3.31Å; R291-E912 IonicContact NE-OE1 3.86Å; R291-E912 PolarHBondContact NE-OE1 3Å; R291-E912 IonicContact NE-OE2 2.89Å; R291-E912 PolarHBondContact NE-OE2 3.33Å; R291-E912 IonicContact NH2-OE1 2.71Å; R291-E912 PolarHBondContact NH2-OE1 3.27Å
292	V	81	Confident	69.2	Low	58 Å²	58	77.7 Å²	77.7	35%	0.352	42%	0.422	S	S	.	.			trans	-105.3	113.3	173.6	-179.9	0	0	0	0	108.3	L453 L457	V292-L453 HydrophobicContact CB-CD2 4.42Å; V292-L453 HydrophobicContact CG1-CD2 4.06Å; V292-L453 HydrophobicContact CG2-CD2 3.71Å; V292-L453 HydrophobicContact CG2-CG 3.97Å; V292-L457 HydrophobicContact CG2-CD1 3.62Å
293	A	76.3	Confident	70.8	Confident	67 Å²	67	72.2 Å²	72.2	55%	0.554	41%	0.41	S	S	*	.			trans	-93.9	140.4	171.1	0	0	0	0	0	109.6	L280	L280-A293 HydrophobicContact CD1-CB 3.53Å
294	I	74.3	Confident	72.3	Confident	81 Å²	81	76.3 Å²	76.3	42%	0.415	43%	0.431	S	S	.	.			trans	-114.6	123.9	171.4	-60.6	-176.7	0	0	0	107.3	V299 Y446	I294-V299 HydrophobicContact CB-CG1 4.45Å; I294-V299 HydrophobicContact CG2-CG1 4.19Å; I294-Y446 HydrophobicContact CD1-CD2 4.3Å; I294-Y446 HydrophobicContact CD1-CE2 3.46Å; I294-Y446 VanDerWaalsContact CD1-CE2 3.46Å
295	S	72.5	Confident	74.1	Confident	115 Å²	115	79.6 Å²	79.6	80%	0.804	44%	0.443	S	S	*	.			trans	-130.5	143.1	-178.6	55.5	0	0	0	0	110.4
296	G	67	Low	75.6	Confident	41 Å²	41	81.9 Å²	81.9	42%	0.423	45%	0.451	S	S	.	.	S	Bend	trans	156.7	-179.6	-178.6	0	0	0	0	0	110	V299	G296-V299 WeakPolarHBondContact O-CG2 3.47Å
297	E	58.8	Low	76.8	Confident	204 Å²	204	75.2 Å²	75.2	95%	0.953	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-30	178.1	-64.9	177.9	164.5	0	0	112.1
298	E	64.8	Low	77.4	Confident	145 Å²	145	79.8 Å²	79.8	68%	0.678	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.6	47.2	-178.3	-60.4	-172.6	166.1	0	0	113.4	S300 G301	E298-S300 PolarHBondContact O-N 3.3Å; E298-G301 WeakPolarHBondContact O-CA 3.49Å; E298-G301 PolarHBondContact O-N 2.76Å
299	V	64.8	Low	77.9	Confident	48 Å²	48	76.6 Å²	76.6	29%	0.291	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-30.3	-177.9	-168.9	0	0	0	0	113	I294 G296 G301 R443	I294-V299 HydrophobicContact CB-CG1 4.45Å; I294-V299 HydrophobicContact CG2-CG1 4.19Å; G296-V299 WeakPolarHBondContact O-CG2 3.47Å; V299-G301 VanDerWaalsContact C-N 3.27Å; V299-G301 PolarHBondContact O-N 3.09Å; V299-R443 PolarHBondContact O-NH1 3.48Å
300	S	68	Low	78.1	Confident	15 Å²	15	76.2 Å²	76.2	11%	0.105	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-29	172.1	53.8	0	0	0	0	113.2	E298 V302 R443	E298-S300 PolarHBondContact O-N 3.3Å; S300-V302 VanDerWaalsContact C-N 3.29Å; S300-V302 PolarHBondContact OG-N 2.93Å; S300-V302 PolarHBondContact OG-O 3.12Å; S300-R443 PolarHBondContact O-NH1 2.86Å
301	G	69	Low	78.3	Confident	15 Å²	15	72.5 Å²	72.5	16%	0.155	40%	0.4	C	S	.	.	S	Bend	trans	73.8	15.1	-170.2	0	0	0	0	0	114.7	E298 V299 R442	E298-G301 WeakPolarHBondContact O-CA 3.49Å; E298-G301 PolarHBondContact O-N 2.76Å; V299-G301 VanDerWaalsContact C-N 3.27Å; V299-G301 PolarHBondContact O-N 3.09Å; G301-R442 PolarHBondContact O-NE 2.7Å; G301-R442 VanDerWaalsContact O-NE 3.12Å; G301-R442 PolarHBondContact O-NH1 2.96Å; G301-R442 PolarHBondContact O-NH2 3.38Å
302	V	76.1	Confident	78.7	Confident	26 Å²	26	73.5 Å²	73.5	16%	0.158	41%	0.409	C	S	.	.	S	Bend	trans	-143.9	154.5	176.7	-68.7	0	0	0	0	109.8	S300 D306 L307 F439	S300-V302 VanDerWaalsContact C-N 3.29Å; S300-V302 PolarHBondContact OG-N 2.93Å; S300-V302 PolarHBondContact OG-O 3.12Å; V302-D306 HydrophobicContact CB-CB 4.42Å; V302-L307 HydrophobicContact CG2-CB 4.06Å; V302-L307 HydrophobicContact CG2-CD1 4.38Å; V302-F439 HydrophobicContact CG1-CD2 4.3Å; V302-F439 HydrophobicContact CG2-CD2 3.8Å; V302-F439 HydrophobicContact CG2-CE2 4.04Å
303	P	80.2	Confident	79.4	Confident	73 Å²	73	72.2 Å²	72.2	47%	0.474	40%	0.399	S	S	.	.			trans	-50.1	149.6	171.7	-27.5	35.2	0	0	0	113.2	E305 D306 L307	P303-E305 PolarHBondContact O-N 3.38Å; P303-D306 HydrophobicContact CB-CB 4.45Å; P303-D306 WeakPolarHBondContact CD-OD2 3.26Å; P303-D306 WeakPolarHBondContact CG-OD2 3.3Å; P303-D306 PolarHBondContact O-N 2.85Å; P303-L307 PolarHBondContact O-N 2.89Å
304	L	81.5	Confident	80.4	Confident	97 Å²	97	69.1 Å²	69.1	51%	0.508	37%	0.373	S	S	.	.	H	α-helix	trans	-61.5	-32.6	-178	-178.2	62.2	0	0	0	112.9	L307 R308	L304-L307 HydrophobicContact CD1-CD2 4.38Å; L304-L307 PolarHBondContact O-N 2.69Å; L304-R308 WeakPolarHBondContact O-CG 3.38Å; L304-R308 PolarHBondContact O-N 2.75Å
305	E	82.8	Confident	81.4	Confident	161 Å²	161	66.2 Å²	66.2	75%	0.752	36%	0.358	S	S	*	.	H	α-helix	trans	-70.2	-46.7	177.9	-170.4	168.2	-168.1	0	0	111.8	P303 L307 R308 S309	P303-E305 PolarHBondContact O-N 3.38Å; E305-L307 VanDerWaalsContact C-N 3.28Å; E305-L307 PolarHBondContact O-N 3.07Å; E305-R308 WeakPolarHBondContact O-CB 3.49Å; E305-R308 PolarHBondContact O-N 3.3Å; E305-S309 PolarHBondContact O-N 3.26Å
306	D	84.9	Confident	82.6	Confident	84 Å²	84	65.4 Å²	65.4	45%	0.449	34%	0.341	S	S	.	.	H	α-helix	trans	-59	-40.3	172	-69.3	-25.7	0	0	0	111.4	V302 P303 A310	V302-D306 HydrophobicContact CB-CB 4.42Å; P303-D306 HydrophobicContact CB-CB 4.45Å; P303-D306 WeakPolarHBondContact CD-OD2 3.26Å; P303-D306 WeakPolarHBondContact CG-OD2 3.3Å; P303-D306 PolarHBondContact O-N 2.85Å; D306-A310 VanDerWaalsContact O-CB 3.24Å; D306-A310 WeakPolarHBondContact O-CB 3.42Å; D306-A310 PolarHBondContact O-N 3.21Å
307	L	87.7	Confident	84	Confident	14 Å²	14	63.5 Å²	63.5	7%	0.073	32%	0.32	C	S	.	.	H	α-helix	trans	-63	-42.8	176.2	-177.9	66.2	0	0	0	111.8	V302 P303 L304 E305 S311 F439 T920 A924	V302-L307 HydrophobicContact CG2-CB 4.06Å; V302-L307 HydrophobicContact CG2-CD1 4.38Å; P303-L307 PolarHBondContact O-N 2.89Å; L304-L307 HydrophobicContact CD1-CD2 4.38Å; L304-L307 PolarHBondContact O-N 2.69Å; E305-L307 VanDerWaalsContact C-N 3.28Å; E305-L307 PolarHBondContact O-N 3.07Å; L307-S311 WeakPolarHBondContact O-CB 3.24Å; L307-S311 PolarHBondContact O-N 3.23Å; L307-S311 PolarHBondContact O-OG 3.2Å; L307-F439 HydrophobicContact CD1-CD2 4.5Å; L307-F439 HydrophobicContact CD1-CE2 3.5Å; L307-F439 HydrophobicContact CD1-CZ 3.71Å; L307-T920 HydrophobicContact CD1-CG2 4.23Å; L307-A924 HydrophobicContact CD2-CB 3.77Å; L307-A924 HydrophobicContact CG-CB 3.67Å
308	R	89.5	Confident	85.9	Confident	123 Å²	123	53.8 Å²	53.8	46%	0.464	28%	0.275	S	S	.	.	H	α-helix	trans	-61.3	-54.1	177	-82.5	176.8	173.2	169.2	1.1	111.4	L304 E305 A310 S311 E312 A924 N925	L304-R308 WeakPolarHBondContact O-CG 3.38Å; L304-R308 PolarHBondContact O-N 2.75Å; E305-R308 WeakPolarHBondContact O-CB 3.49Å; E305-R308 PolarHBondContact O-N 3.3Å; R308-A310 VanDerWaalsContact C-N 3.34Å; R308-A310 PolarHBondContact O-N 2.85Å; R308-S311 PolarHBondContact O-N 3.11Å; R308-E312 PolarHBondContact O-N 3.24Å; R308-A924 HydrophobicContact CG-CB 4.37Å; R308-A924 WeakPolarHBondContact CG-O 3.35Å; R308-A924 PolarHBondContact NE-O 2.96Å; R308-N925 PolarHBondContact O-ND2 3.3Å
309	S	91.3	Very high	87.5	Confident	60 Å²	60	53.2 Å²	53.2	42%	0.42	27%	0.267	S	S	.	.	H	α-helix	trans	-57	-46.2	178.9	178.2	0	0	0	0	111.8	E305 S311 E312 E313	E305-S309 PolarHBondContact O-N 3.26Å; S309-S311 VanDerWaalsContact C-N 3.33Å; S309-S311 PolarHBondContact O-N 3.01Å; S309-E312 WeakPolarHBondContact O-CB 3.15Å; S309-E312 PolarHBondContact O-N 3.34Å; S309-E313 PolarHBondContact O-N 3.01Å
310	A	93.3	Very high	89.1	Confident	5 Å²	5	51.3 Å²	51.3	4%	0.041	26%	0.255	C	S	.	.	H	α-helix	trans	-63.2	-37.8	175.8	0	0	0	0	0	112.7	D306 R308 V314 L436 F439	D306-A310 VanDerWaalsContact O-CB 3.24Å; D306-A310 WeakPolarHBondContact O-CB 3.42Å; D306-A310 PolarHBondContact O-N 3.21Å; R308-A310 VanDerWaalsContact C-N 3.34Å; R308-A310 PolarHBondContact O-N 2.85Å; A310-V314 WeakPolarHBondContact O-CB 3.47Å; A310-V314 VanDerWaalsContact O-CG2 3.28Å; A310-V314 WeakPolarHBondContact O-CG2 3.21Å; A310-V314 PolarHBondContact O-N 3.4Å; A310-L436 HydrophobicContact CB-CD1 3.76Å; A310-F439 HydrophobicContact CB-CB 4.28Å; A310-F439 HydrophobicContact CB-CD1 3.71Å; A310-F439 HydrophobicContact CB-CE1 4.15Å; A310-F439 HydrophobicContact CB-CG 3.92Å
311	S	93.8	Very high	90.5	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-71.3	-37.1	179.8	-59.9	0	0	0	0	112.4	L307 R308 S309 V314 I315 I921	L307-S311 WeakPolarHBondContact O-CB 3.24Å; L307-S311 PolarHBondContact O-N 3.23Å; L307-S311 PolarHBondContact O-OG 3.2Å; R308-S311 PolarHBondContact O-N 3.11Å; S309-S311 VanDerWaalsContact C-N 3.33Å; S309-S311 PolarHBondContact O-N 3.01Å; S311-V314 PolarHBondContact O-N 3.33Å; S311-I315 WeakPolarHBondContact O-CB 3.36Å; S311-I315 WeakPolarHBondContact O-CD1 3.24Å; S311-I315 WeakPolarHBondContact O-CG1 3.33Å; S311-I315 PolarHBondContact O-N 3Å; S311-I921 VanDerWaalsContact CB-O 3.32Å; S311-I921 WeakPolarHBondContact CB-O 3.14Å; S311-I921 PolarHBondContact OG-O 3.5Å
312	E	94.6	Very high	91.8	Very high	112 Å²	112	51.2 Å²	51.2	52%	0.523	25%	0.249	S	C	.	.	H	α-helix	trans	-55.1	-50.9	172.2	-109.7	152.4	-103.2	0	0	111.9	R308 S309 K316 N925	R308-E312 PolarHBondContact O-N 3.24Å; S309-E312 WeakPolarHBondContact O-CB 3.15Å; S309-E312 PolarHBondContact O-N 3.34Å; E312-K316 WeakPolarHBondContact O-CB 2.97Å; E312-K316 PolarHBondContact O-N 3.32Å; E312-N925 WeakPolarHBondContact CG-ND2 3.45Å; E312-N925 PolarHBondContact OE1-ND2 3.27Å
313	E	95.8	Very high	92.8	Very high	30 Å²	30	52.9 Å²	52.9	14%	0.14	25%	0.254	C	S	.	.	H	α-helix	trans	-67.2	-41.2	179.3	-71.1	-161	-121.1	0	0	112.6	S309 K316 A317 Y426 T430 N433 L436	S309-E313 PolarHBondContact O-N 3.01Å; E313-K316 PolarHBondContact O-N 2.88Å; E313-A317 WeakPolarHBondContact O-CB 3.32Å; E313-A317 PolarHBondContact O-N 3.06Å; E313-Y426 WeakPolarHBondContact CA-OH 3.36Å; E313-T430 HydrophobicContact CB-CG2 4.22Å; E313-T430 WeakPolarHBondContact OE2-CA 3.28Å; E313-T430 VanDerWaalsContact OE2-CB 3.27Å; E313-T430 WeakPolarHBondContact OE2-CB 3.32Å; E313-T430 WeakPolarHBondContact OE2-CG2 3.33Å; E313-T430 PolarHBondContact OE2-OG1 3.07Å; E313-N433 PolarHBondContact OE1-ND2 3.06Å; E313-L436 HydrophobicContact CB-CD2 3.93Å
314	V	96.8	Very high	93.7	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.012	23%	0.231	C	C	.	.	H	α-helix	trans	-62.7	-50.4	176.1	170.5	0	0	0	0	110.7	A310 S311 K316 A317 L318 L436 L787 L790 I921	A310-V314 WeakPolarHBondContact O-CB 3.47Å; A310-V314 VanDerWaalsContact O-CG2 3.28Å; A310-V314 WeakPolarHBondContact O-CG2 3.21Å; A310-V314 PolarHBondContact O-N 3.4Å; S311-V314 PolarHBondContact O-N 3.33Å; V314-K316 VanDerWaalsContact C-N 3.28Å; V314-K316 PolarHBondContact O-N 2.84Å; V314-A317 WeakPolarHBondContact O-CB 3.18Å; V314-A317 PolarHBondContact O-N 2.99Å; V314-A317 VanDerWaalsContact O-N 3.08Å; V314-L318 HydrophobicContact CG1-CD1 4.27Å; V314-L318 HydrophobicContact CG1-CG 4.28Å; V314-L318 WeakPolarHBondContact O-CG 2.96Å; V314-L318 PolarHBondContact O-N 3.38Å; V314-L436 HydrophobicContact CG2-CD1 3.96Å; V314-L787 HydrophobicContact CG1-CD2 4.11Å; V314-L790 HydrophobicContact CG1-CD1 3.58Å; V314-I921 HydrophobicContact CB-CG2 4.45Å; V314-I921 HydrophobicContact CG1-CD1 3.97Å; V314-I921 HydrophobicContact CG1-CG2 4.14Å
315	I	96.6	Very high	94.4	Very high	20 Å²	20	44.8 Å²	44.8	10%	0.103	21%	0.207	C	C	.	.	H	α-helix	trans	-58.9	-40.7	179.1	-68.5	165.5	0	0	0	110.8	S311 L318 R319 L340 I921 F922 N925	S311-I315 WeakPolarHBondContact O-CB 3.36Å; S311-I315 WeakPolarHBondContact O-CD1 3.24Å; S311-I315 WeakPolarHBondContact O-CG1 3.33Å; S311-I315 PolarHBondContact O-N 3Å; I315-L318 PolarHBondContact O-N 2.93Å; I315-R319 WeakPolarHBondContact O-CG 3.33Å; I315-R319 PolarHBondContact O-N 2.8Å; I315-L340 HydrophobicContact CG2-CD2 4.37Å; I315-I921 HydrophobicContact CD1-CG2 4.01Å; I315-I921 HydrophobicContact CG1-CG2 3.67Å; I315-F922 HydrophobicContact CD1-CD1 4.08Å; I315-F922 HydrophobicContact CD1-CE1 4.22Å; I315-F922 HydrophobicContact CD1-CG 4.36Å; I315-F922 HydrophobicContact CG1-CD1 4.33Å; I315-F922 HydrophobicContact CG1-CE1 4.02Å; I315-F922 HydrophobicContact CG1-CE2 4.25Å; I315-F922 HydrophobicContact CG1-CZ 3.99Å; I315-F922 HydrophobicContact CG2-CE1 4.29Å; I315-N925 HydrophobicContact CD1-CB 4.25Å
316	K	96.6	Very high	95	Very high	99 Å²	99	41.2 Å²	41.2	43%	0.43	19%	0.192	S	C	.	.	H	α-helix	trans	-64.8	-40.9	175.6	-173.9	170	165	-158.5	0	112	E312 E313 V314 R319 I320 Y426	E312-K316 WeakPolarHBondContact O-CB 2.97Å; E312-K316 PolarHBondContact O-N 3.32Å; E313-K316 PolarHBondContact O-N 2.88Å; V314-K316 VanDerWaalsContact C-N 3.28Å; V314-K316 PolarHBondContact O-N 2.84Å; K316-R319 PolarHBondContact O-N 2.76Å; K316-I320 HydrophobicContact CG-CD1 4.38Å; K316-I320 WeakPolarHBondContact O-CG1 3.44Å; K316-I320 PolarHBondContact O-N 3.38Å; K316-Y426 HydrophobicContact CB-CE1 4.14Å; K316-Y426 HydrophobicContact CD-CD1 4.34Å; K316-Y426 HydrophobicContact CD-CE1 3.64Å; K316-Y426 HydrophobicContact CD-CE2 4.06Å; K316-Y426 HydrophobicContact CG-CD1 4.46Å; K316-Y426 HydrophobicContact CG-CE1 3.67Å; K316-Y426 VanDerWaalsContact NZ-CD2 3.29Å; K316-Y426 VanDerWaalsContact NZ-CE2 3.27Å
317	A	98	Very high	95.5	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-63.6	-39.1	173.4	0	0	0	0	0	113	E313 V314 I320 R321 L427 L787	E313-A317 WeakPolarHBondContact O-CB 3.32Å; E313-A317 PolarHBondContact O-N 3.06Å; V314-A317 WeakPolarHBondContact O-CB 3.18Å; V314-A317 PolarHBondContact O-N 2.99Å; V314-A317 VanDerWaalsContact O-N 3.08Å; A317-I320 PolarHBondContact O-N 3.46Å; A317-R321 PolarHBondContact O-N 3.05Å; A317-R321 VanDerWaalsContact O-N 3.17Å; A317-L427 HydrophobicContact CB-CD2 3.5Å; A317-L787 HydrophobicContact CB-CD1 3.86Å; A317-L787 HydrophobicContact CB-CD2 3.76Å; A317-L787 HydrophobicContact CB-CG 4.5Å
318	L	98	Very high	95.8	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-60.5	-45.9	173.7	-63	178.9	0	0	0	111.2	V314 I315 I320 R321 E322 V336 L340 L787 L790 C791 F922	V314-L318 HydrophobicContact CG1-CD1 4.27Å; V314-L318 HydrophobicContact CG1-CG 4.28Å; V314-L318 WeakPolarHBondContact O-CG 2.96Å; V314-L318 PolarHBondContact O-N 3.38Å; I315-L318 PolarHBondContact O-N 2.93Å; L318-I320 PolarHBondContact O-N 2.97Å; L318-R321 PolarHBondContact O-N 2.92Å; L318-E322 PolarHBondContact O-N 2.72Å; L318-V336 HydrophobicContact CD1-CG1 4.23Å; L318-V336 HydrophobicContact CD2-CG1 4.37Å; L318-L340 HydrophobicContact CB-CD1 4.29Å; L318-L340 HydrophobicContact CB-CD2 4.11Å; L318-L787 HydrophobicContact CD2-CD2 4.25Å; L318-L790 HydrophobicContact CD2-CB 4.1Å; L318-L790 HydrophobicContact CD2-CD1 4.43Å; L318-C791 WeakPolarHBondContact CD2-SG 3.45Å; L318-F922 HydrophobicContact CD1-CE2 3.84Å; L318-F922 HydrophobicContact CD1-CZ 3.98Å
319	R	97.7	Very high	96	Very high	134 Å²	134	35.1 Å²	35.1	51%	0.506	17%	0.171	S	C	.	.	H	α-helix	trans	-62.5	-38	176.5	-73.9	-177	172.4	-175.4	-3	113.2	I315 K316 E322 K323 L340	I315-R319 WeakPolarHBondContact O-CG 3.33Å; I315-R319 PolarHBondContact O-N 2.8Å; K316-R319 PolarHBondContact O-N 2.76Å; R319-E322 PolarHBondContact O-N 3.23Å; R319-K323 WeakPolarHBondContact O-CB 3.23Å; R319-K323 PolarHBondContact O-N 2.72Å; R319-L340 HydrophobicContact CG-CD2 3.66Å
320	I	98.1	Very high	96.1	Very high	7 Å²	7	32.8 Å²	32.8	4%	0.036	15%	0.153	C	C	.	.	H	α-helix	trans	-61.1	-47.8	175.3	-71.7	167.9	0	0	0	110.3	K316 A317 L318 Y324 D423 Y426 L427 M767	K316-I320 HydrophobicContact CG-CD1 4.38Å; K316-I320 WeakPolarHBondContact O-CG1 3.44Å; K316-I320 PolarHBondContact O-N 3.38Å; A317-I320 PolarHBondContact O-N 3.46Å; L318-I320 PolarHBondContact O-N 2.97Å; I320-Y324 HydrophobicContact CG2-CD2 4.09Å; I320-Y324 HydrophobicContact CG2-CE2 3.9Å; I320-Y324 WeakPolarHBondContact O-CD2 3.49Å; I320-Y324 PolarHBondContact O-N 2.88Å; I320-D423 HydrophobicContact CD1-CB 4.25Å; I320-D423 HydrophobicContact CG2-CB 3.96Å; I320-Y426 HydrophobicContact CD1-CD1 3.52Å; I320-Y426 HydrophobicContact CD1-CE1 3.99Å; I320-L427 HydrophobicContact CD1-CD2 4.34Å; I320-L427 HydrophobicContact CD1-CG 4.27Å; I320-L427 HydrophobicContact CG2-CD1 4.02Å; I320-M767 HydrophobicContact CG2-CE 4.48Å; I320-M767 HydrophobicContact CG2-CG 4.28Å
321	R	98	Very high	96	Very high	3 Å²	3	38.1 Å²	38.1	1%	0.011	18%	0.178	C	C	.	.	H	α-helix	trans	-64.5	-45.8	176.8	179.3	174.1	172.3	83.6	2.7	112.2	A317 L318 K323 Y324 M325 F332 F766 S769 E770	A317-R321 PolarHBondContact O-N 3.05Å; A317-R321 VanDerWaalsContact O-N 3.17Å; L318-R321 PolarHBondContact O-N 2.92Å; R321-K323 VanDerWaalsContact C-N 3.32Å; R321-K323 PolarHBondContact O-N 2.71Å; R321-Y324 PolarHBondContact O-N 3.12Å; R321-M325 HydrophobicContact CG-CG 3.95Å; R321-M325 WeakPolarHBondContact O-CG 3.36Å; R321-M325 PolarHBondContact O-N 3.16Å; R321-F332 HydrophobicContact CG-CD2 4.39Å; R321-F332 HydrophobicContact CG-CE2 4.18Å; R321-F766 HydrophobicContact CB-CD1 4.39Å; R321-F766 HydrophobicContact CB-CE1 3.77Å; R321-F766 HydrophobicContact CB-CE2 4.45Å; R321-F766 HydrophobicContact CB-CZ 3.8Å; R321-F766 WeakPolarHBondContact CD-O 3.39Å; R321-F766 HydrophobicContact CG-CZ 4.39Å; R321-F766 WeakPolarHBondContact CG-O 3.48Å; R321-F766 PolarHBondContact NH1-O 3.49Å; R321-S769 VanDerWaalsContact CZ-O 3.3Å; R321-S769 PolarHBondContact NH1-O 3.04Å; R321-S769 PolarHBondContact NH2-O 3.49Å; R321-E770 PolarHBondContact NH2-O 3.42Å
322	E	97.6	Very high	96.1	Very high	26 Å²	26	39.4 Å²	39.4	12%	0.121	18%	0.183	C	C	.	.	H	α-helix	trans	-54.4	-49.2	178.5	179.8	177.5	-130.3	0	0	111.5	L318 R319 Y324 M325 L326 F332 L340	L318-E322 PolarHBondContact O-N 2.72Å; R319-E322 PolarHBondContact O-N 3.23Å; E322-Y324 VanDerWaalsContact C-N 3.26Å; E322-Y324 PolarHBondContact O-N 2.7Å; E322-M325 PolarHBondContact O-N 2.93Å; E322-L326 HydrophobicContact CG-CD1 3.66Å; E322-L326 HydrophobicContact CG-CG 4.12Å; E322-L326 WeakPolarHBondContact O-CB 3.43Å; E322-L326 WeakPolarHBondContact O-CG 3.44Å; E322-L326 PolarHBondContact O-N 3.1Å; E322-F332 HydrophobicContact CB-CD1 4.32Å; E322-F332 HydrophobicContact CB-CD2 4.31Å; E322-F332 HydrophobicContact CB-CE1 3.93Å; E322-F332 HydrophobicContact CB-CE2 3.92Å; E322-F332 HydrophobicContact CB-CZ 3.71Å; E322-F332 HydrophobicContact CG-CD1 4.05Å; E322-F332 HydrophobicContact CG-CE1 3.93Å; E322-F332 HydrophobicContact CG-CG 4.46Å; E322-F332 HydrophobicContact CG-CZ 4.25Å; E322-L340 HydrophobicContact CB-CD1 4.09Å; E322-L340 HydrophobicContact CG-CD1 4.42Å; E322-L340 WeakPolarHBondContact OE2-CD1 3.4Å
323	K	96.7	Very high	96.1	Very high	61 Å²	61	35.5 Å²	35.5	27%	0.265	17%	0.167	S	C	.	.	H	α-helix	trans	-51.4	-44.9	178	180	-179.4	67.1	169.9	0	112.3	R319 R321 R327 E419 D423	R319-K323 WeakPolarHBondContact O-CB 3.23Å; R319-K323 PolarHBondContact O-N 2.72Å; R321-K323 VanDerWaalsContact C-N 3.32Å; R321-K323 PolarHBondContact O-N 2.71Å; K323-R327 WeakPolarHBondContact O-CB 2.92Å; K323-R327 PolarHBondContact O-N 3.27Å; K323-R327 VanDerWaalsContact O-N 3.11Å; K323-E419 WeakPolarHBondContact CD-OE1 3.45Å; K323-E419 VanDerWaalsContact CE-OE1 3.31Å; K323-E419 WeakPolarHBondContact CE-OE1 3.05Å; K323-E419 IonicContact NZ-OE1 3.82Å; K323-E419 PolarHBondContact NZ-OE1 3.03Å; K323-D423 VanDerWaalsContact CE-OD2 3.32Å; K323-D423 WeakPolarHBondContact CE-OD2 3.22Å; K323-D423 IonicContact NZ-OD1 3.53Å; K323-D423 IonicContact NZ-OD2 2.71Å; K323-D423 PolarHBondContact NZ-OD2 2.85Å
324	Y	97.7	Very high	95.9	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-78.3	-41	-178.9	-69.3	-57.6	0	0	0	112.9	I320 R321 E322 L326 R327 A328 T415 D423 Y729 M767 F768	I320-Y324 HydrophobicContact CG2-CD2 4.09Å; I320-Y324 HydrophobicContact CG2-CE2 3.9Å; I320-Y324 WeakPolarHBondContact O-CD2 3.49Å; I320-Y324 PolarHBondContact O-N 2.88Å; R321-Y324 PolarHBondContact O-N 3.12Å; E322-Y324 VanDerWaalsContact C-N 3.26Å; E322-Y324 PolarHBondContact O-N 2.7Å; Y324-L326 PolarHBondContact O-N 2.75Å; Y324-R327 PolarHBondContact O-N 3.25Å; Y324-A328 PolarHBondContact O-N 3.33Å; Y324-T415 HydrophobicContact CE1-CG2 3.79Å; Y324-D423 HydrophobicContact CE2-CB 4.38Å; Y324-D423 VanDerWaalsContact CE2-OD2 3.28Å; Y324-D423 WeakPolarHBondContact CE2-OD2 3.41Å; Y324-D423 PolarHBondContact OH-OD2 3.09Å; Y324-D423 VanDerWaalsContact OH-OD2 3.05Å; Y324-Y729 WeakPolarHBondContact CA-OH 3.44Å; Y324-Y729 AromaticContact CD1-CE1 3.71Å; Y324-Y729 HydrophobicContact CD1-CE1 3.71Å; Y324-Y729 AromaticContact CD1-CZ 3.73Å; Y324-Y729 WeakPolarHBondContact CD1-OH 3.49Å; Y324-Y729 HydrophobicContact CE1-CE1 4.31Å; Y324-Y729 PolarHBondContact O-OH 3.19Å; Y324-M767 VanDerWaalsContact CB-O 3.24Å; Y324-M767 WeakPolarHBondContact CB-O 3.47Å; Y324-M767 HydrophobicContact CD2-CB 4.31Å; Y324-M767 HydrophobicContact CD2-CE 4.4Å; Y324-M767 HydrophobicContact CE2-CE 3.69Å; Y324-F768 HydrophobicContact CD1-CD1 4.1Å; Y324-F768 AromaticContact CD1-CE1 3.62Å; Y324-F768 HydrophobicContact CD1-CE1 3.62Å; Y324-F768 HydrophobicContact CD2-CD1 4.08Å; Y324-F768 AromaticContact CD2-CE1 3.76Å; Y324-F768 HydrophobicContact CD2-CE1 3.76Å; Y324-F768 AromaticContact CE1-CE1 3.66Å; Y324-F768 HydrophobicContact CE1-CE1 3.66Å; Y324-F768 HydrophobicContact CE1-CZ 4.4Å; Y324-F768 AromaticContact CE2-CE1 3.8Å; Y324-F768 HydrophobicContact CE2-CE1 3.8Å; Y324-F768 AromaticContact CG-CD1 3.84Å; Y324-F768 HydrophobicContact CG-CD1 3.84Å; Y324-F768 AromaticContact CG-CE1 3.67Å; Y324-F768 HydrophobicContact CG-CE1 3.67Å; Y324-F768 AromaticContact CZ-CE1 3.74Å
325	M	97.3	Very high	95.7	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-59.4	-46.5	175.4	-64.8	-55.6	96.9	0	0	111.4	R321 E322 A328 S329 M330 F332 M767	R321-M325 HydrophobicContact CG-CG 3.95Å; R321-M325 WeakPolarHBondContact O-CG 3.36Å; R321-M325 PolarHBondContact O-N 3.16Å; E322-M325 PolarHBondContact O-N 2.93Å; M325-A328 PolarHBondContact O-N 3.16Å; M325-S329 PolarHBondContact O-N 2.86Å; M325-S329 VanDerWaalsContact O-N 3.15Å; M325-M330 HydrophobicContact CE-CE 3.64Å; M325-M330 PolarHBondContact O-N 3Å; M325-M330 HydrophobicContact SD-CB 4.15Å; M325-M330 HydrophobicContact SD-CE 3.99Å; M325-F332 HydrophobicContact CB-CB 3.93Å; M325-F332 HydrophobicContact CB-CD2 4.28Å; M325-F332 HydrophobicContact CG-CB 4.36Å; M325-F332 HydrophobicContact CG-CD2 4.02Å; M325-M767 WeakPolarHBondContact CE-O 3Å
326	L	95.1	Very high	95.5	Very high	85 Å²	85	36.1 Å²	36.1	45%	0.445	18%	0.18	S	C	.	.	H	α-helix	trans	-64.1	-43.4	177.4	-66	179	0	0	0	112.4	E322 Y324 A328 S329	E322-L326 HydrophobicContact CG-CD1 3.66Å; E322-L326 HydrophobicContact CG-CG 4.12Å; E322-L326 WeakPolarHBondContact O-CB 3.43Å; E322-L326 WeakPolarHBondContact O-CG 3.44Å; E322-L326 PolarHBondContact O-N 3.1Å; Y324-L326 PolarHBondContact O-N 2.75Å; L326-A328 VanDerWaalsContact C-N 3.27Å; L326-A328 PolarHBondContact O-N 2.91Å; L326-S329 PolarHBondContact O-N 3.42Å; L326-S329 VanDerWaalsContact O-N 3.14Å
327	R	95.1	Very high	95.4	Very high	37 Å²	37	35.3 Å²	35.3	14%	0.14	18%	0.176	C	C	.	.	H	α-helix	trans	-61.3	-35.1	179.1	-176.3	-176	-62.8	-179.6	-1.8	112.2	K323 Y324 L413 T415 E419	K323-R327 WeakPolarHBondContact O-CB 2.92Å; K323-R327 PolarHBondContact O-N 3.27Å; K323-R327 VanDerWaalsContact O-N 3.11Å; Y324-R327 PolarHBondContact O-N 3.25Å; R327-L413 WeakPolarHBondContact CD-O 3.3Å; R327-L413 HydrophobicContact CG-CB 4.27Å; R327-L413 HydrophobicContact CG-CD2 3.97Å; R327-T415 WeakPolarHBondContact CD-OG1 3.22Å; R327-T415 PolarHBondContact NH1-OG1 3.4Å; R327-E419 IonicContact CZ-OE1 3.58Å; R327-E419 IonicContact CZ-OE2 2.76Å; R327-E419 VanDerWaalsContact CZ-OE2 3.3Å; R327-E419 IonicContact NH1-OE1 2.76Å; R327-E419 IonicContact NH1-OE2 3.83Å; R327-E419 PolarHBondContact NH1-OE2 3.29Å; R327-E419 VanDerWaalsContact NH2-CD 3.35Å; R327-E419 IonicContact NH2-OE1 2.71Å; R327-E419 PolarHBondContact NH2-OE1 3.46Å; R327-E419 IonicContact NH2-OE2 3.35Å; R327-E419 PolarHBondContact NH2-OE2 3.2Å
328	A	94.7	Very high	95.1	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	0.4	177.6	0	0	0	0	0	115.3	Y324 M325 L326 M330 Y729 A733 N736	Y324-A328 PolarHBondContact O-N 3.33Å; M325-A328 PolarHBondContact O-N 3.16Å; L326-A328 VanDerWaalsContact C-N 3.27Å; L326-A328 PolarHBondContact O-N 2.91Å; A328-M330 HydrophobicContact CB-CE 3.71Å; A328-M330 HydrophobicContact CB-CG 4.06Å; A328-M330 HydrophobicContact CB-SD 4.42Å; A328-M330 PolarHBondContact O-N 2.85Å; A328-Y729 HydrophobicContact CB-CD2 4.42Å; A328-Y729 HydrophobicContact CB-CE2 3.58Å; A328-A733 HydrophobicContact CB-CB 3.8Å; A328-N736 WeakPolarHBondContact O-CB 3.15Å; A328-N736 PolarHBondContact O-ND2 3.26Å
329	S	93.3	Very high	94.8	Very high	56 Å²	56	38 Å²	38	39%	0.392	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	36.6	-171.5	-51.7	0	0	0	0	113.3	M325 L326	M325-S329 PolarHBondContact O-N 2.86Å; M325-S329 VanDerWaalsContact O-N 3.15Å; L326-S329 PolarHBondContact O-N 3.42Å; L326-S329 VanDerWaalsContact O-N 3.14Å
330	M	93.9	Very high	94.6	Very high	11 Å²	11	32.3 Å²	32.3	5%	0.054	17%	0.167	C	C	.	.			trans	-98.7	161.8	172.9	-65.7	-171.2	-60.5	0	0	110.7	M325 A328 Y729 L749 F768 E770	M325-M330 HydrophobicContact CE-CE 3.64Å; M325-M330 PolarHBondContact O-N 3Å; M325-M330 HydrophobicContact SD-CB 4.15Å; M325-M330 HydrophobicContact SD-CE 3.99Å; A328-M330 HydrophobicContact CB-CE 3.71Å; A328-M330 HydrophobicContact CB-CG 4.06Å; A328-M330 HydrophobicContact CB-SD 4.42Å; A328-M330 PolarHBondContact O-N 2.85Å; M330-Y729 HydrophobicContact CE-CD2 4.24Å; M330-Y729 HydrophobicContact CE-CE2 4.03Å; M330-L749 HydrophobicContact CE-CB 4.46Å; M330-L749 HydrophobicContact SD-CB 4.02Å; M330-L749 PolarHBondContact SD-N 3.34Å; M330-F768 WeakPolarHBondContact CE-O 3.46Å; M330-E770 WeakPolarHBondContact CA-OE2 3.24Å; M330-E770 HydrophobicContact CB-CB 4.35Å; M330-E770 WeakPolarHBondContact CB-OE2 3.46Å; M330-E770 HydrophobicContact SD-CB 4.11Å
331	Q	91.5	Very high	94.2	Very high	118 Å²	118	36.4 Å²	36.4	55%	0.551	19%	0.189	S	C	*	.			trans	-68.7	134.4	-174.8	-64.4	179.4	41	0	0	112.4	E770	Q331-E770 HydrophobicContact CB-CG 4.25Å; Q331-E770 PolarHBondContact N-OE2 3.38Å
332	F	95	Very high	93.5	Very high	26 Å²	26	37.3 Å²	37.3	11%	0.114	20%	0.199	C	C	.	.			trans	-128.1	137.5	169.3	-173	-103	0	0	0	109.2	R321 E322 M325 A334 V336 K337 L340	R321-F332 HydrophobicContact CG-CD2 4.39Å; R321-F332 HydrophobicContact CG-CE2 4.18Å; E322-F332 HydrophobicContact CB-CD1 4.32Å; E322-F332 HydrophobicContact CB-CD2 4.31Å; E322-F332 HydrophobicContact CB-CE1 3.93Å; E322-F332 HydrophobicContact CB-CE2 3.92Å; E322-F332 HydrophobicContact CB-CZ 3.71Å; E322-F332 HydrophobicContact CG-CD1 4.05Å; E322-F332 HydrophobicContact CG-CE1 3.93Å; E322-F332 HydrophobicContact CG-CG 4.46Å; E322-F332 HydrophobicContact CG-CZ 4.25Å; M325-F332 HydrophobicContact CB-CB 3.93Å; M325-F332 HydrophobicContact CB-CD2 4.28Å; M325-F332 HydrophobicContact CG-CB 4.36Å; M325-F332 HydrophobicContact CG-CD2 4.02Å; F332-A334 PolarHBondContact O-N 3.34Å; F332-V336 HydrophobicContact CE1-CB 4.01Å; F332-V336 HydrophobicContact CE1-CG1 4.01Å; F332-V336 HydrophobicContact CZ-CB 4.05Å; F332-V336 HydrophobicContact CZ-CG1 3.67Å; F332-K337 HydrophobicContact CD1-CB 4.09Å; F332-K337 HydrophobicContact CE1-CB 4.15Å; F332-L340 HydrophobicContact CE1-CD1 3.87Å; F332-L340 HydrophobicContact CZ-CD1 3.79Å
333	P	93.7	Very high	92.4	Very high	30 Å²	30	41.2 Å²	41.2	20%	0.195	22%	0.218	C	C	.	.			trans	-64.2	125.2	-171	-18.3	28.4	0	0	0	112.9	T335 V336 K337 C791 Q792	P333-T335 PolarHBondContact O-N 2.91Å; P333-V336 HydrophobicContact CB-CB 4.45Å; P333-V336 HydrophobicContact CB-CG2 4.07Å; P333-V336 HydrophobicContact CG-CG2 4.32Å; P333-V336 PolarHBondContact O-N 2.86Å; P333-V336 VanDerWaalsContact O-N 3.08Å; P333-K337 PolarHBondContact O-N 3.47Å; P333-C791 WeakPolarHBondContact CG-O 3.28Å; P333-Q792 HydrophobicContact CG-CB 4.27Å
334	A	92	Very high	90.9	Very high	52 Å²	52	40 Å²	40	43%	0.43	21%	0.212	S	C	.	.	H	α-helix	trans	-54.7	-39	179.9	0	0	0	0	0	113	F332 K337 K338	F332-A334 PolarHBondContact O-N 3.34Å; A334-K337 PolarHBondContact O-N 3.38Å; A334-K338 WeakPolarHBondContact O-CG 3.41Å; A334-K338 PolarHBondContact O-N 3.02Å
335	T	92.2	Very high	88.6	Confident	13 Å²	13	43.6 Å²	43.6	8%	0.08	24%	0.242	C	C	.	.	H	α-helix	trans	-58.6	-49.5	176.2	-46	0	0	0	0	111.9	P333 K337 K338 F339 V915 L918	P333-T335 PolarHBondContact O-N 2.91Å; T335-K337 VanDerWaalsContact C-N 3.33Å; T335-K337 PolarHBondContact O-N 3.3Å; T335-K338 PolarHBondContact O-N 3.5Å; T335-F339 HydrophobicContact CG2-CE2 4.44Å; T335-F339 WeakPolarHBondContact O-CD2 3.5Å; T335-F339 PolarHBondContact O-N 3.32Å; T335-V915 HydrophobicContact CG2-CG2 3.85Å; T335-L918 HydrophobicContact CG2-CD1 4.01Å
336	V	94.2	Very high	86	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-67	-38.3	-178.7	-175.7	0	0	0	0	110.6	L318 F332 P333 F339 L340 L790 L918	L318-V336 HydrophobicContact CD1-CG1 4.23Å; L318-V336 HydrophobicContact CD2-CG1 4.37Å; F332-V336 HydrophobicContact CE1-CB 4.01Å; F332-V336 HydrophobicContact CE1-CG1 4.01Å; F332-V336 HydrophobicContact CZ-CB 4.05Å; F332-V336 HydrophobicContact CZ-CG1 3.67Å; P333-V336 HydrophobicContact CB-CB 4.45Å; P333-V336 HydrophobicContact CB-CG2 4.07Å; P333-V336 HydrophobicContact CG-CG2 4.32Å; P333-V336 PolarHBondContact O-N 2.86Å; P333-V336 VanDerWaalsContact O-N 3.08Å; V336-F339 WeakPolarHBondContact O-CB 3.34Å; V336-F339 PolarHBondContact O-N 3.49Å; V336-L340 HydrophobicContact CG1-CD1 4.06Å; V336-L340 HydrophobicContact CG1-CG 4.4Å; V336-L340 WeakPolarHBondContact O-CG 3.1Å; V336-L340 PolarHBondContact O-N 3.05Å; V336-L790 WeakPolarHBondContact CG2-O 3.37Å; V336-L918 HydrophobicContact CG2-CD1 4.21Å; V336-L918 HydrophobicContact CG2-CD2 4.43Å
337	K	93.6	Very high	83.4	Confident	83 Å²	83	47.8 Å²	47.8	36%	0.361	29%	0.289	S	S	.	.	H	α-helix	trans	-58.2	-48.5	175	-173.8	172	-176.3	-175.7	0	112.4	F332 P333 A334 T335 F339 L340 N341	F332-K337 HydrophobicContact CD1-CB 4.09Å; F332-K337 HydrophobicContact CE1-CB 4.15Å; P333-K337 PolarHBondContact O-N 3.47Å; A334-K337 PolarHBondContact O-N 3.38Å; T335-K337 VanDerWaalsContact C-N 3.33Å; T335-K337 PolarHBondContact O-N 3.3Å; K337-F339 PolarHBondContact O-N 3.06Å; K337-L340 PolarHBondContact O-N 2.92Å; K337-L340 VanDerWaalsContact O-N 3.1Å; K337-N341 WeakPolarHBondContact O-CB 3.27Å; K337-N341 PolarHBondContact O-N 3.18Å
338	K	91	Very high	81.1	Confident	48 Å²	48	48.4 Å²	48.4	21%	0.209	29%	0.294	C	S	.	.	H	α-helix	trans	-54.5	-40.1	174.7	-73.9	178.2	171.7	175.1	0	112.1	A334 T335 G342 E343 F344 E350	A334-K338 WeakPolarHBondContact O-CG 3.41Å; A334-K338 PolarHBondContact O-N 3.02Å; T335-K338 PolarHBondContact O-N 3.5Å; K338-G342 PolarHBondContact O-N 3.08Å; K338-E343 HydrophobicContact CB-CB 4.32Å; K338-E343 WeakPolarHBondContact O-CB 3.46Å; K338-E343 PolarHBondContact O-N 2.84Å; K338-F344 HydrophobicContact CB-CD2 3.72Å; K338-F344 HydrophobicContact CB-CE2 3.5Å; K338-F344 HydrophobicContact CD-CE2 3.76Å; K338-F344 HydrophobicContact CD-CZ 4.17Å; K338-F344 HydrophobicContact CG-CE2 4.28Å; K338-E350 IonicContact NZ-OE1 3.28Å; K338-E350 PolarHBondContact NZ-OE1 2.8Å
339	F	92.3	Very high	78.5	Confident	9 Å²	9	55.3 Å²	55.3	4%	0.039	33%	0.326	C	S	.	.	H	α-helix	trans	-68.3	-43.8	174.8	-87	-85.3	0	0	0	113	T335 V336 K337 N341 G342 F344 V915 L918 C919 F922	T335-F339 HydrophobicContact CG2-CE2 4.44Å; T335-F339 WeakPolarHBondContact O-CD2 3.5Å; T335-F339 PolarHBondContact O-N 3.32Å; V336-F339 WeakPolarHBondContact O-CB 3.34Å; V336-F339 PolarHBondContact O-N 3.49Å; K337-F339 PolarHBondContact O-N 3.06Å; F339-N341 VanDerWaalsContact C-N 3.27Å; F339-N341 PolarHBondContact O-N 2.95Å; F339-G342 PolarHBondContact O-N 2.7Å; F339-F344 HydrophobicContact CD1-CB 4.13Å; F339-F344 HydrophobicContact CD1-CD2 4.32Å; F339-F344 AromaticContact CD2-CD2 3.43Å; F339-F344 HydrophobicContact CD2-CD2 3.43Å; F339-F344 VanDerWaalsContact CD2-CD2 3.43Å; F339-F344 AromaticContact CD2-CE2 3.76Å; F339-F344 HydrophobicContact CD2-CE2 3.76Å; F339-F344 HydrophobicContact CD2-CG 4.22Å; F339-F344 HydrophobicContact CE1-CB 3.85Å; F339-F344 HydrophobicContact CE1-CD2 4.28Å; F339-F344 HydrophobicContact CE1-CG 4.14Å; F339-F344 HydrophobicContact CE2-CB 4.42Å; F339-F344 HydrophobicContact CE2-CD1 4.42Å; F339-F344 AromaticContact CE2-CD2 3.36Å; F339-F344 HydrophobicContact CE2-CD2 3.36Å; F339-F344 AromaticContact CE2-CE2 3.57Å; F339-F344 HydrophobicContact CE2-CE2 3.57Å; F339-F344 AromaticContact CE2-CG 3.83Å; F339-F344 HydrophobicContact CE2-CG 3.83Å; F339-F344 HydrophobicContact CE2-CZ 4.22Å; F339-F344 AromaticContact CG-CD2 3.92Å; F339-F344 HydrophobicContact CG-CD2 3.92Å; F339-F344 HydrophobicContact CZ-CB 4Å; F339-F344 HydrophobicContact CZ-CD1 4.3Å; F339-F344 AromaticContact CZ-CD2 3.82Å; F339-F344 HydrophobicContact CZ-CD2 3.82Å; F339-F344 HydrophobicContact CZ-CE2 4.34Å; F339-F344 AromaticContact CZ-CG 3.78Å; F339-F344 HydrophobicContact CZ-CG 3.78Å; F339-V915 HydrophobicContact CE2-CG1 4.04Å; F339-V915 HydrophobicContact CZ-CG1 3.91Å; F339-L918 HydrophobicContact CD1-CB 4.07Å; F339-L918 HydrophobicContact CD2-CB 3.8Å; F339-L918 HydrophobicContact CD2-CD1 3.73Å; F339-L918 HydrophobicContact CD2-CG 4.3Å; F339-L918 HydrophobicContact CE1-CB 3.94Å; F339-L918 HydrophobicContact CE2-CB 3.68Å; F339-L918 HydrophobicContact CE2-CD1 3.92Å; F339-L918 HydrophobicContact CE2-CG 4.44Å; F339-L918 HydrophobicContact CG-CB 4Å; F339-L918 HydrophobicContact CG-CD1 4.47Å; F339-L918 HydrophobicContact CZ-CB 3.76Å; F339-C919 VanDerWaalsContact CZ-SG 3.6Å; F339-F922 HydrophobicContact CB-CD1 4.36Å; F339-F922 HydrophobicContact CB-CD2 4.02Å; F339-F922 HydrophobicContact CB-CE1 4.17Å; F339-F922 HydrophobicContact CB-CE2 3.82Å; F339-F922 HydrophobicContact CB-CG 4.29Å; F339-F922 HydrophobicContact CB-CZ 3.89Å; F339-F922 HydrophobicContact CD1-CB 3.96Å; F339-F922 AromaticContact CD1-CD2 3.82Å; F339-F922 HydrophobicContact CD1-CD2 3.82Å; F339-F922 HydrophobicContact CD1-CE2 4.46Å; F339-F922 AromaticContact CD1-CG 3.86Å; F339-F922 HydrophobicContact CD1-CG 3.86Å; F339-F922 HydrophobicContact CE1-CB 4.5Å; F339-F922 HydrophobicContact CG-CD2 4.21Å; F339-F922 HydrophobicContact CG-CE2 4.41Å; F339-F922 WeakPolarHBondContact O-CE1 3.43Å
340	L	92.9	Very high	76.2	Confident	13 Å²	13	55.4 Å²	55.4	7%	0.068	32%	0.321	C	S	.	.	H	α-helix	trans	-63.2	-32.8	177.7	-73.2	171.3	0	0	0	113	I315 L318 R319 E322 F332 V336 K337 G342 F922	I315-L340 HydrophobicContact CG2-CD2 4.37Å; L318-L340 HydrophobicContact CB-CD1 4.29Å; L318-L340 HydrophobicContact CB-CD2 4.11Å; R319-L340 HydrophobicContact CG-CD2 3.66Å; E322-L340 HydrophobicContact CB-CD1 4.09Å; E322-L340 HydrophobicContact CG-CD1 4.42Å; E322-L340 WeakPolarHBondContact OE2-CD1 3.4Å; F332-L340 HydrophobicContact CE1-CD1 3.87Å; F332-L340 HydrophobicContact CZ-CD1 3.79Å; V336-L340 HydrophobicContact CG1-CD1 4.06Å; V336-L340 HydrophobicContact CG1-CG 4.4Å; V336-L340 WeakPolarHBondContact O-CG 3.1Å; V336-L340 PolarHBondContact O-N 3.05Å; K337-L340 PolarHBondContact O-N 2.92Å; K337-L340 VanDerWaalsContact O-N 3.1Å; L340-G342 VanDerWaalsContact C-N 3.33Å; L340-F922 HydrophobicContact CD2-CE1 4.05Å; L340-F922 HydrophobicContact CD2-CZ 3.72Å; L340-F922 HydrophobicContact CG-CZ 4.09Å
341	N	90.2	Very high	73.6	Confident	94 Å²	94	66 Å²	66	50%	0.503	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-11	173	-72.3	-9.1	0	0	0	114.2	K337 F339 E343	K337-N341 WeakPolarHBondContact O-CB 3.27Å; K337-N341 PolarHBondContact O-N 3.18Å; F339-N341 VanDerWaalsContact C-N 3.27Å; F339-N341 PolarHBondContact O-N 2.95Å; N341-E343 VanDerWaalsContact C-N 3.33Å; N341-E343 HydrophobicContact CB-CG 3.91Å; N341-E343 VanDerWaalsContact CB-OE1 3.31Å; N341-E343 WeakPolarHBondContact CB-OE1 3.48Å; N341-E343 PolarHBondContact ND2-OE1 2.95Å
342	G	83	Confident	71.1	Confident	21 Å²	21	67.8 Å²	67.8	22%	0.216	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.3	7.6	-176	0	0	0	0	0	115.5	K338 F339 L340 F344 A345	K338-G342 PolarHBondContact O-N 3.08Å; F339-G342 PolarHBondContact O-N 2.7Å; L340-G342 VanDerWaalsContact C-N 3.33Å; G342-F344 PolarHBondContact O-N 3.39Å; G342-F344 VanDerWaalsContact O-N 3.13Å; G342-A345 VanDerWaalsContact O-CB 3.29Å; G342-A345 WeakPolarHBondContact O-CB 3.38Å; G342-A345 PolarHBondContact O-N 3.03Å; G342-A345 VanDerWaalsContact O-N 3.07Å
343	E	74.8	Confident	68.3	Low	109 Å²	109	71.4 Å²	71.4	51%	0.509	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-62	-24.3	-175.3	-65.7	170.8	-131.8	0	0	113.3	K338 N341	K338-E343 HydrophobicContact CB-CB 4.32Å; K338-E343 WeakPolarHBondContact O-CB 3.46Å; K338-E343 PolarHBondContact O-N 2.84Å; N341-E343 VanDerWaalsContact C-N 3.33Å; N341-E343 HydrophobicContact CB-CG 3.91Å; N341-E343 VanDerWaalsContact CB-OE1 3.31Å; N341-E343 WeakPolarHBondContact CB-OE1 3.48Å; N341-E343 PolarHBondContact ND2-OE1 2.95Å
344	F	65.1	Low	65.6	Low	34 Å²	34	75.7 Å²	75.7	15%	0.149	42%	0.418	C	S	.	.	G	3₁₀ helix	trans	-83.8	-0.3	177.7	-84.3	-74.2	0	0	0	115.1	Y281 K338 F339 G342 S346	Y281-F344 HydrophobicContact CD2-CE1 4.46Å; Y281-F344 HydrophobicContact CE2-CE1 4.28Å; K338-F344 HydrophobicContact CB-CD2 3.72Å; K338-F344 HydrophobicContact CB-CE2 3.5Å; K338-F344 HydrophobicContact CD-CE2 3.76Å; K338-F344 HydrophobicContact CD-CZ 4.17Å; K338-F344 HydrophobicContact CG-CE2 4.28Å; F339-F344 HydrophobicContact CD1-CB 4.13Å; F339-F344 HydrophobicContact CD1-CD2 4.32Å; F339-F344 AromaticContact CD2-CD2 3.43Å; F339-F344 HydrophobicContact CD2-CD2 3.43Å; F339-F344 VanDerWaalsContact CD2-CD2 3.43Å; F339-F344 AromaticContact CD2-CE2 3.76Å; F339-F344 HydrophobicContact CD2-CE2 3.76Å; F339-F344 HydrophobicContact CD2-CG 4.22Å; F339-F344 HydrophobicContact CE1-CB 3.85Å; F339-F344 HydrophobicContact CE1-CD2 4.28Å; F339-F344 HydrophobicContact CE1-CG 4.14Å; F339-F344 HydrophobicContact CE2-CB 4.42Å; F339-F344 HydrophobicContact CE2-CD1 4.42Å; F339-F344 AromaticContact CE2-CD2 3.36Å; F339-F344 HydrophobicContact CE2-CD2 3.36Å; F339-F344 AromaticContact CE2-CE2 3.57Å; F339-F344 HydrophobicContact CE2-CE2 3.57Å; F339-F344 AromaticContact CE2-CG 3.83Å; F339-F344 HydrophobicContact CE2-CG 3.83Å; F339-F344 HydrophobicContact CE2-CZ 4.22Å; F339-F344 AromaticContact CG-CD2 3.92Å; F339-F344 HydrophobicContact CG-CD2 3.92Å; F339-F344 HydrophobicContact CZ-CB 4Å; F339-F344 HydrophobicContact CZ-CD1 4.3Å; F339-F344 AromaticContact CZ-CD2 3.82Å; F339-F344 HydrophobicContact CZ-CD2 3.82Å; F339-F344 HydrophobicContact CZ-CE2 4.34Å; F339-F344 AromaticContact CZ-CG 3.78Å; F339-F344 HydrophobicContact CZ-CG 3.78Å; G342-F344 PolarHBondContact O-N 3.39Å; G342-F344 VanDerWaalsContact O-N 3.13Å; F344-S346 VanDerWaalsContact C-N 3.31Å; F344-S346 PolarHBondContact O-N 3.01Å
345	A	50.4	Low	63.2	Low	77 Å²	77	77.8 Å²	77.8	64%	0.636	42%	0.421	S	S	*	.	G	3₁₀ helix	trans	-73.1	-15.8	-173.9	0	0	0	0	0	115	G342	G342-A345 VanDerWaalsContact O-CB 3.29Å; G342-A345 WeakPolarHBondContact O-CB 3.38Å; G342-A345 PolarHBondContact O-N 3.03Å; G342-A345 VanDerWaalsContact O-N 3.07Å
346	S	41.4	Very low	60.6	Low	111 Å²	111	80.7 Å²	80.7	78%	0.776	44%	0.442	S	S	*	.	S	Bend	trans	-115.2	48.2	-168.3	62	0	0	0	0	114.8	F344	F344-S346 VanDerWaalsContact C-N 3.31Å; F344-S346 PolarHBondContact O-N 3.01Å
347	G	41.5	Very low	58.1	Low	62 Å²	62	89.5 Å²	89.5	64%	0.639	48%	0.475	S	S	*	.			trans	83.3	129.8	175	0	0	0	0	0	112.9	E349	G347-E349 VanDerWaalsContact C-N 3.33Å; G347-E349 PolarHBondContact O-N 3.37Å
348	I	46.1	Very low	55.5	Low	50 Å²	50	87.9 Å²	87.9	26%	0.256	48%	0.477	S	S	.	.	S	Bend	trans	-80.7	82.1	-177.3	-56.9	171	0	0	0	109.3	Y281	Y281-I348 HydrophobicContact CD2-CD1 4.36Å; Y281-I348 HydrophobicContact CD2-CG2 3.24Å; Y281-I348 HydrophobicContact CE2-CG2 3.75Å; Y281-I348 HydrophobicContact CG-CG2 4.07Å
349	E	41.2	Very low	53.3	Low	144 Å²	144	88.1 Å²	88.1	67%	0.673	49%	0.485	S	S	*	.			trans	-129.2	106.2	152.7	-72.4	-159.7	146.3	0	0	106.9	G347 K352	G347-E349 VanDerWaalsContact C-N 3.33Å; G347-E349 PolarHBondContact O-N 3.37Å; E349-K352 IonicContact OE1-NZ 3.63Å
350	E	44.3	Very low	51.2	Low	58 Å²	58	89.7 Å²	89.7	27%	0.271	49%	0.491	S	S	.	.			trans	-64.1	140.2	164.2	-80.3	-173.1	120.2	0	0	107.7	Y281 K338 K352	Y281-E350 PolarHBondContact OH-OE2 2.87Å; Y281-E350 VanDerWaalsContact OH-OE2 3.11Å; K338-E350 IonicContact NZ-OE1 3.28Å; K338-E350 PolarHBondContact NZ-OE1 2.8Å; E350-K352 PolarHBondContact O-N 2.79Å
351	R	39.4	Very low	49.2	Very low	235 Å²	235	92 Å²	92	89%	0.887	50%	0.504	S	S	*	.			trans	-57.6	122.4	-173.7	-86.4	-178.8	171.7	164.4	-0.8	109.7	V353	R351-V353 PolarHBondContact O-N 3.41Å
352	K	38.4	Very low	47.6	Very low	155 Å²	155	92 Å²	92	67%	0.674	50%	0.501	S	S	*	.			trans	-57.1	75.6	167.6	-70.1	171	-179	144.6	0	111.6	E349 E350 P354	E349-K352 IonicContact OE1-NZ 3.63Å; E350-K352 PolarHBondContact O-N 2.79Å; K352-P354 WeakPolarHBondContact O-CD 3.47Å
353	V	36.4	Very low	46.8	Very low	101 Å²	101	92.6 Å²	92.6	61%	0.612	50%	0.501	S	S	*	.			trans	-92.1	105.4	156.4	-176.3	0	0	0	0	104.8	R351 L355	R351-V353 PolarHBondContact O-N 3.41Å; V353-L355 HydrophobicContact CG1-CG 4.43Å; V353-L355 PolarHBondContact O-N 3.42Å
354	P	36.4	Very low	46.7	Very low	120 Å²	120	88.1 Å²	88.1	78%	0.779	48%	0.484	S	S	*	.			trans	-67.6	87	170.1	28.6	-33	0	0	0	107.9	K352 S356	K352-P354 WeakPolarHBondContact O-CD 3.47Å; P354-S356 VanDerWaalsContact C-N 3.35Å; P354-S356 PolarHBondContact O-N 3.09Å
355	L	42.1	Very low	47.3	Very low	97 Å²	97	88.9 Å²	88.9	51%	0.508	49%	0.486	S	S	.	.			trans	-60.6	102.5	165.7	-79.6	166.2	0	0	0	106.3	V353 R357	V353-L355 HydrophobicContact CG1-CG 4.43Å; V353-L355 PolarHBondContact O-N 3.42Å; L355-R357 PolarHBondContact O-N 3.32Å
356	S	38.1	Very low	48.6	Very low	74 Å²	74	86.6 Å²	86.6	52%	0.517	46%	0.463	S	S	.	.			trans	-58.2	124	-175.3	57.6	0	0	0	0	109.4	P354 A358 S359	P354-S356 VanDerWaalsContact C-N 3.35Å; P354-S356 PolarHBondContact O-N 3.09Å; S356-A358 PolarHBondContact O-N 2.97Å; S356-S359 PolarHBondContact O-N 2.76Å
357	R	42.7	Very low	50.3	Low	184 Å²	184	82.3 Å²	82.3	69%	0.694	43%	0.432	S	S	*	.	G	3₁₀ helix	trans	-56.6	-8.7	170.8	-110.5	176.7	173	156.2	-2	113.5	L355 S359 Y360 D904	L355-R357 PolarHBondContact O-N 3.32Å; R357-S359 VanDerWaalsContact C-N 3.33Å; R357-S359 PolarHBondContact O-N 3.13Å; R357-Y360 HydrophobicContact CB-CD2 4.37Å; R357-Y360 HydrophobicContact CG-CD2 4.05Å; R357-Y360 HydrophobicContact CG-CE2 3.89Å; R357-Y360 VanDerWaalsContact O-CD2 3.27Å; R357-Y360 WeakPolarHBondContact O-CD2 3.42Å; R357-Y360 PolarHBondContact O-N 3.46Å; R357-D904 IonicContact NH2-OD2 3.13Å
358	A	38.1	Very low	51.7	Low	49 Å²	49	81.7 Å²	81.7	41%	0.405	42%	0.417	S	S	.	.	G	3₁₀ helix	trans	-58.4	-32.1	173.4	0	0	0	0	0	114.7	S356 Y360	S356-A358 PolarHBondContact O-N 2.97Å; A358-Y360 PolarHBondContact O-N 2.74Å
359	S	43.9	Very low	53.1	Low	53 Å²	53	86.2 Å²	86.2	37%	0.371	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	-73.2	-10.4	-178.4	64.9	0	0	0	0	114.7	S356 R357 D361	S356-S359 PolarHBondContact O-N 2.76Å; R357-S359 VanDerWaalsContact C-N 3.33Å; R357-S359 PolarHBondContact O-N 3.13Å; S359-D361 VanDerWaalsContact C-N 3.35Å; S359-D361 PolarHBondContact O-N 2.91Å
360	Y	48.7	Very low	54.4	Low	43 Å²	43	87.1 Å²	87.1	17%	0.169	44%	0.441	C	S	.	.	G	3₁₀ helix	trans	-71.4	-28.8	-174.7	-74.1	-111.8	0	0	0	112.7	R357 A358 N886 R899	R357-Y360 HydrophobicContact CB-CD2 4.37Å; R357-Y360 HydrophobicContact CG-CD2 4.05Å; R357-Y360 HydrophobicContact CG-CE2 3.89Å; R357-Y360 VanDerWaalsContact O-CD2 3.27Å; R357-Y360 WeakPolarHBondContact O-CD2 3.42Å; R357-Y360 PolarHBondContact O-N 3.46Å; A358-Y360 PolarHBondContact O-N 2.74Å; Y360-N886 PolarHBondContact OH-ND2 3.02Å; Y360-N886 VanDerWaalsContact OH-ND2 3.15Å; Y360-R899 PolarHBondContact O-NH2 3.29Å
361	D	51.6	Low	55.7	Low	62 Å²	62	87.7 Å²	87.7	33%	0.332	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-18.2	-175.1	-79.4	-27.8	0	0	0	114.2	Q235 S359 V363	Q235-D361 HydrophobicContact CB-CB 4.19Å; Q235-D361 HydrophobicContact CG-CB 4.49Å; Q235-D361 PolarHBondContact NE2-OD1 2.67Å; Q235-D361 PolarHBondContact NE2-OD2 3.06Å; S359-D361 VanDerWaalsContact C-N 3.35Å; S359-D361 PolarHBondContact O-N 2.91Å; D361-V363 VanDerWaalsContact C-N 3.35Å; D361-V363 PolarHBondContact O-N 2.93Å
362	M	56.3	Low	57.4	Low	92 Å²	92	78.4 Å²	78.4	45%	0.453	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-16.6	-176.5	-60.6	-165.6	86.5	0	0	113.9	H236 E239	H236-M362 VanDerWaalsContact CD2-CE 3.43Å; H236-M362 WeakPolarHBondContact CD2-CE 3.48Å; E239-M362 WeakPolarHBondContact OE2-CG 3.34Å
363	V	66.7	Low	59.1	Low	34 Å²	34	74.5 Å²	74.5	21%	0.206	40%	0.397	C	S	.	.	S	Bend	trans	-104.6	114.8	-176.5	-179.9	0	0	0	0	109.6	D361 V880 R899	D361-V363 VanDerWaalsContact C-N 3.35Å; D361-V363 PolarHBondContact O-N 2.93Å; V363-V880 HydrophobicContact CG1-CG1 3.91Å; V363-R899 PolarHBondContact O-NH2 3.3Å
364	G	71.8	Confident	61	Low	16 Å²	16	78 Å²	78	17%	0.165	40%	0.404	C	S	.	.			trans	-54.3	158.3	177.2	0	0	0	0	0	113.6	H366 H881 R899	G364-H366 VanDerWaalsContact C-N 3.27Å; G364-H366 PolarHBondContact O-N 3.07Å; G364-H881 PolarHBondContact O-ND1 3.02Å; G364-R899 PolarHBondContact O-NH1 3.36Å
365	Y	77.7	Confident	63.2	Low	49 Å²	49	80.8 Å²	80.8	19%	0.192	40%	0.399	C	S	.	.	S	Bend	trans	-75.5	-20.3	177.6	-70.2	-87.8	0	0	0	112.9	E228 R478 A898 R899	E228-Y365 HydrophobicContact CB-CD2 3.87Å; E228-Y365 HydrophobicContact CB-CE2 4.46Å; E228-Y365 HydrophobicContact CG-CD2 4.11Å; E228-Y365 HydrophobicContact CG-CE2 4.47Å; E228-Y365 VanDerWaalsContact OE2-CB 3.26Å; E228-Y365 WeakPolarHBondContact OE2-CB 3.29Å; Y365-R478 PolarHBondContact O-NH2 3.28Å; Y365-A898 HydrophobicContact CE1-CB 4.18Å; Y365-A898 VanDerWaalsContact CE1-O 3.32Å; Y365-A898 WeakPolarHBondContact CE1-O 3.47Å; Y365-R899 HydrophobicContact CD1-CG 3.83Å; Y365-R899 HydrophobicContact CE1-CG 3.84Å
366	H	78.6	Confident	65.1	Low	29 Å²	29	77 Å²	77	13%	0.134	38%	0.38	C	S	.	.	S	Bend	trans	-118.7	142.6	176.5	-71.5	-78.7	0	0	0	109.4	G364 R478 K598 Y599 H881	G364-H366 VanDerWaalsContact C-N 3.27Å; G364-H366 PolarHBondContact O-N 3.07Å; H366-R478 PolarHBondContact CE1-NH2 3.37Å; H366-R478 PolarHBondContact NE2-NH2 2.83Å; H366-R478 VanDerWaalsContact NE2-NH2 3.16Å; H366-K598 VanDerWaalsContact CE1-CE 3.4Å; H366-K598 WeakPolarHBondContact CE1-CE 3.24Å; H366-K598 PolarHBondContact CE1-NZ 2.88Å; H366-K598 PolarHBondContact NE2-NZ 3.22Å; H366-K598 VanDerWaalsContact NE2-NZ 3.12Å; H366-Y599 AromaticContact CE1-CE1 3.75Å; H366-H881 PolarHBondContact O-ND1 3.17Å
367	P	76.3	Confident	67.6	Low	21 Å²	21	74.3 Å²	74.3	14%	0.136	36%	0.359	C	S	.	.			trans	-54.4	129.8	163.2	-20.2	32.1	0	0	0	108.9	L372 M878 H881	P367-L372 HydrophobicContact CB-CD2 4.45Å; P367-M878 HydrophobicContact CG-CG 4.41Å; P367-H881 HydrophobicContact CG-CB 4.06Å
368	P	72.3	Confident	69.7	Low	50 Å²	50	70 Å²	70	33%	0.325	35%	0.35	S	S	.	.			trans	-57.9	144.6	172.8	-23.9	34.8	0	0	0	110.7	E370 M371	P368-E370 WeakPolarHBondContact CB-OE2 3.43Å; P368-E370 PolarHBondContact O-N 3.41Å; P368-E370 VanDerWaalsContact O-N 3.16Å; P368-M371 HydrophobicContact CB-CG 4.38Å; P368-M371 HydrophobicContact CG-CE 3.98Å; P368-M371 HydrophobicContact CG-CG 4.38Å; P368-M371 WeakPolarHBondContact O-CB 3.26Å; P368-M371 PolarHBondContact O-N 3.18Å
369	E	74.3	Confident	72	Confident	145 Å²	145	68.7 Å²	68.7	68%	0.678	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-64.8	-21	-177.8	-164.5	174.6	-179.7	0	0	111.7	M371 L372	E369-M371 VanDerWaalsContact C-N 3.33Å; E369-L372 WeakPolarHBondContact O-CB 3.28Å; E369-L372 PolarHBondContact O-N 3.2Å
370	E	68.7	Low	74.2	Confident	162 Å²	162	74.7 Å²	74.7	76%	0.757	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-70.5	-23.3	171.7	-55.3	82.2	179.1	0	0	113.6	P368 L372	P368-E370 WeakPolarHBondContact CB-OE2 3.43Å; P368-E370 PolarHBondContact O-N 3.41Å; P368-E370 VanDerWaalsContact O-N 3.16Å; E370-L372 VanDerWaalsContact C-N 3.3Å
371	M	70.5	Confident	76.3	Confident	70 Å²	70	75.9 Å²	75.9	35%	0.345	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-81.3	-11	172.1	-62.9	-162.6	-166.2	0	0	112.7	P368 E369 V876	P368-M371 HydrophobicContact CB-CG 4.38Å; P368-M371 HydrophobicContact CG-CE 3.98Å; P368-M371 HydrophobicContact CG-CG 4.38Å; P368-M371 WeakPolarHBondContact O-CB 3.26Å; P368-M371 PolarHBondContact O-N 3.18Å; E369-M371 VanDerWaalsContact C-N 3.33Å; M371-V876 HydrophobicContact CB-CG1 4.43Å
372	L	75.4	Confident	78.3	Confident	41 Å²	41	75.1 Å²	75.1	22%	0.215	37%	0.367	C	S	.	.	S	Bend	trans	-87.8	117.9	-179	-59.7	-176.5	0	0	0	109.8	P367 E369 E370 K374 H631 M878	P367-L372 HydrophobicContact CB-CD2 4.45Å; E369-L372 WeakPolarHBondContact O-CB 3.28Å; E369-L372 PolarHBondContact O-N 3.2Å; E370-L372 VanDerWaalsContact C-N 3.3Å; L372-K374 PolarHBondContact O-N 2.8Å; L372-H631 HydrophobicContact CD2-CB 4.27Å; L372-M878 HydrophobicContact CD2-CE 4.2Å
373	E	75.7	Confident	80	Confident	72 Å²	72	73.3 Å²	73.3	34%	0.336	37%	0.371	S	S	.	.			trans	-61.5	101.2	-178.7	-70	-176	-155.6	0	0	112.4	R375 H631 R684	E373-R375 PolarHBondContact O-N 2.95Å; E373-R375 VanDerWaalsContact O-N 3.15Å; E373-H631 PolarHBondContact N-CE1 3.31Å; E373-H631 PolarHBondContact O-CE1 2.51Å; E373-R684 IonicContact OE1-CZ 2.99Å; E373-R684 IonicContact OE1-NH1 2.96Å; E373-R684 IonicContact OE1-NH2 3.82Å; E373-R684 PolarHBondContact OE1-NH2 3.3Å; E373-R684 IonicContact OE2-CZ 3.42Å; E373-R684 IonicContact OE2-NH1 3.36Å; E373-R684 PolarHBondContact OE2-NH1 3.35Å; E373-R684 IonicContact OE2-NH2 2.64Å; E373-R684 PolarHBondContact OE2-NH2 3.06Å
374	K	75.8	Confident	81.4	Confident	175 Å²	175	74.4 Å²	74.4	76%	0.761	38%	0.381	S	S	*	.	S	Bend	trans	-62.5	-19.6	179.1	-62	-174.2	179	-177.3	0	114.2	L372	L372-K374 PolarHBondContact O-N 2.8Å
375	R	82	Confident	82.4	Confident	178 Å²	178	75.2 Å²	75.2	67%	0.672	39%	0.385	S	S	*	.	S	Bend	trans	-134.6	78.2	173.8	-61.8	-166.6	-160.8	170.3	5	109	E373 F377 D378	E373-R375 PolarHBondContact O-N 2.95Å; E373-R375 VanDerWaalsContact O-N 3.15Å; R375-F377 PolarHBondContact O-N 2.91Å; R375-F377 VanDerWaalsContact O-N 3.12Å; R375-D378 HydrophobicContact CB-CB 3.85Å; R375-D378 WeakPolarHBondContact CD-OD2 3.35Å; R375-D378 IonicContact NH1-OD2 3.98Å; R375-D378 PolarHBondContact NH1-OD2 3.3Å; R375-D378 PolarHBondContact O-N 3.02Å
376	P	82.7	Confident	83.1	Confident	18 Å²	18	75.6 Å²	75.6	12%	0.117	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-29.8	-168.8	26.1	-38.5	0	0	0	113.5	H629 R684 F685	P376-H629 HydrophobicContact CB-CB 4.41Å; P376-H629 VanDerWaalsContact CB-CD2 3.5Å; P376-H629 WeakPolarHBondContact CB-CD2 3.45Å; P376-H629 HydrophobicContact CG-CB 3.84Å; P376-H629 VanDerWaalsContact CG-CG 3.45Å; P376-H629 WeakPolarHBondContact CG-ND1 3.37Å; P376-R684 PolarHBondContact O-NH1 2.82Å; P376-F685 HydrophobicContact CB-CE1 4.03Å; P376-F685 HydrophobicContact CB-CE2 4Å; P376-F685 HydrophobicContact CB-CZ 3.41Å; P376-F685 VanDerWaalsContact CB-CZ 3.41Å; P376-F685 WeakPolarHBondContact O-CE2 3.46Å; P376-F685 VanDerWaalsContact O-CZ 3.28Å; P376-F685 WeakPolarHBondContact O-CZ 3.46Å
377	F	89.2	Confident	83.9	Confident	18 Å²	18	77 Å²	77	8%	0.079	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-12.5	-179.9	-55.7	-52.5	0	0	0	113.5	R375 C379 I624 H629 R681 F685	R375-F377 PolarHBondContact O-N 2.91Å; R375-F377 VanDerWaalsContact O-N 3.12Å; F377-C379 VanDerWaalsContact C-N 3.3Å; F377-C379 PolarHBondContact O-N 3.09Å; F377-I624 HydrophobicContact CB-CD1 4.43Å; F377-I624 HydrophobicContact CB-CG1 4.29Å; F377-I624 HydrophobicContact CB-CG2 4.22Å; F377-I624 HydrophobicContact CD1-CD1 4.09Å; F377-I624 HydrophobicContact CD1-CG1 3.68Å; F377-I624 HydrophobicContact CD2-CB 4.37Å; F377-I624 HydrophobicContact CD2-CG1 4.07Å; F377-I624 HydrophobicContact CD2-CG2 4.27Å; F377-I624 HydrophobicContact CE1-CG1 3.93Å; F377-I624 HydrophobicContact CE2-CG1 4.3Å; F377-I624 HydrophobicContact CG-CB 4.43Å; F377-I624 HydrophobicContact CG-CD1 4.29Å; F377-I624 HydrophobicContact CG-CG1 3.75Å; F377-I624 HydrophobicContact CG-CG2 4.28Å; F377-I624 HydrophobicContact CZ-CG1 4.23Å; F377-H629 HydrophobicContact CE2-CB 4.05Å; F377-H629 HydrophobicContact CZ-CB 3.8Å; F377-R681 WeakPolarHBondContact O-CD 3.49Å; F377-R681 VanDerWaalsContact O-CG 3.28Å; F377-R681 WeakPolarHBondContact O-CG 3.49Å; F377-R681 PolarHBondContact O-NE 2.99Å; F377-R681 VanDerWaalsContact O-NE 3.12Å; F377-R681 PolarHBondContact O-NH1 2.71Å; F377-F685 HydrophobicContact CD1-CD2 4.37Å; F377-F685 AromaticContact CD1-CE2 3.97Å; F377-F685 HydrophobicContact CD1-CE2 3.97Å; F377-F685 AromaticContact CE1-CD2 3.97Å; F377-F685 HydrophobicContact CE1-CD2 3.97Å; F377-F685 AromaticContact CE1-CE2 3.97Å; F377-F685 HydrophobicContact CE1-CE2 3.97Å
378	D	87.3	Confident	84.8	Confident	93 Å²	93	79.3 Å²	79.3	50%	0.497	42%	0.419	S	S	.	.			trans	-83.5	69.9	177.5	-82.9	-17	0	0	0	111.5	R375 R681	R375-D378 HydrophobicContact CB-CB 3.85Å; R375-D378 WeakPolarHBondContact CD-OD2 3.35Å; R375-D378 IonicContact NH1-OD2 3.98Å; R375-D378 PolarHBondContact NH1-OD2 3.3Å; R375-D378 PolarHBondContact O-N 3.02Å; D378-R681 IonicContact OD1-NH1 3.88Å; D378-R681 PolarHBondContact OD1-NH1 3.12Å
379	C	86.8	Confident	85.9	Confident	22 Å²	22	78 Å²	78	15%	0.149	41%	0.41	C	S	.	.			trans	-102.7	156.7	169.9	78.6	0	0	0	0	112.4	F377 R681	F377-C379 VanDerWaalsContact C-N 3.3Å; F377-C379 PolarHBondContact O-N 3.09Å; C379-R681 PolarHBondContact O-NH2 3.49Å; C379-R681 VanDerWaalsContact SG-CG 3.58Å
380	E	89.1	Confident	86.8	Confident	179 Å²	179	72.4 Å²	72.4	84%	0.836	39%	0.387	S	S	*	.			trans	-61.1	150.4	165.6	-64.5	-170.1	157.6	0	0	110.4
381	I	93.4	Very high	88	Confident	67 Å²	67	66.2 Å²	66.2	34%	0.344	36%	0.361	S	S	.	.			trans	-112.1	105.5	179.1	-59.3	-178.9	0	0	0	107	P673 P677	I381-P673 HydrophobicContact CG2-CB 3.68Å; I381-P677 HydrophobicContact CD1-CB 3.59Å
382	P	93.8	Very high	89	Confident	47 Å²	47	65.2 Å²	65.2	31%	0.305	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-65.5	147.1	-177	-23.1	34.7	0	0	0	112.3	P673 F744	P382-P673 HydrophobicContact CB-CG 4.34Å; P382-P673 WeakPolarHBondContact O-CB 3.49Å; P382-P673 WeakPolarHBondContact O-CD 3.27Å; P382-P673 WeakPolarHBondContact O-CG 3.43Å; P382-F744 HydrophobicContact CB-CZ 4.33Å; P382-F744 HydrophobicContact CG-CE1 3.9Å; P382-F744 HydrophobicContact CG-CZ 4.04Å
383	G	92.6	Very high	89.9	Confident	53 Å²	53	68.9 Å²	68.9	55%	0.546	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-64	157.9	175.4	0	0	0	0	0	113.6	R742	G383-R742 PolarHBondContact O-NH1 3.34Å; G383-R742 PolarHBondContact O-NH2 3.23Å
384	S	95.2	Very high	90.8	Very high	58 Å²	58	65.5 Å²	65.5	41%	0.406	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-51.6	140.7	176.9	-168.5	0	0	0	0	113.1	G386 N671 D672	S384-G386 VanDerWaalsContact C-N 3.27Å; S384-G386 PolarHBondContact OG-N 2.78Å; S384-N671 CarbonylContact C-O 3.5Å; S384-N671 WeakPolarHBondContact CA-O 3.32Å; S384-D672 VanDerWaalsContact CB-CG 3.47Å; S384-D672 WeakPolarHBondContact CB-OD2 3.38Å; S384-D672 PolarHBondContact OG-OD2 3.12Å
385	A	93.6	Very high	91.7	Very high	32 Å²	32	58.2 Å²	58.2	26%	0.264	33%	0.329	S	S	.	.			trans	-77.9	-12.3	171.3	0	0	0	0	0	113.1	F387 N671	A385-F387 VanDerWaalsContact C-N 3.35Å; A385-F387 HydrophobicContact CB-CD2 3.62Å; A385-F387 HydrophobicContact CB-CE2 3.78Å; A385-F387 PolarHBondContact O-N 3.14Å; A385-N671 PolarHBondContact N-O 3.03Å
386	G	92.7	Very high	92.4	Very high	57 Å²	57	49.7 Å²	49.7	59%	0.588	30%	0.297	S	S	*	.			trans	77.3	10.7	176.5	0	0	0	0	0	115.7	S384	S384-G386 VanDerWaalsContact C-N 3.27Å; S384-G386 PolarHBondContact OG-N 2.78Å
387	F	94.8	Very high	93	Very high	59 Å²	59	49.9 Å²	49.9	26%	0.259	30%	0.296	S	S	.	.			trans	-83	165.8	175.1	-57.8	-65.1	0	0	0	112.1	A385 V398 R399 L407 N671 F738	A385-F387 VanDerWaalsContact C-N 3.35Å; A385-F387 HydrophobicContact CB-CD2 3.62Å; A385-F387 HydrophobicContact CB-CE2 3.78Å; A385-F387 PolarHBondContact O-N 3.14Å; F387-V398 HydrophobicContact CB-CG1 3.58Å; F387-V398 HydrophobicContact CD2-CG1 4.2Å; F387-V398 HydrophobicContact CG-CG1 3.88Å; F387-R399 WeakPolarHBondContact CB-O 3.5Å; F387-L407 HydrophobicContact CE1-CD1 4.01Å; F387-L407 HydrophobicContact CE1-CD2 4.32Å; F387-L407 HydrophobicContact CE2-CD2 4.45Å; F387-L407 HydrophobicContact CZ-CD1 4.34Å; F387-L407 HydrophobicContact CZ-CD2 4.1Å; F387-N671 WeakPolarHBondContact CB-OD1 3.44Å; F387-N671 PolarHBondContact N-OD1 3.04Å; F387-N671 VanDerWaalsContact N-OD1 3.1Å; F387-N671 PolarHBondContact O-ND2 3.37Å; F387-F738 AromaticContact CD2-CE2 3.77Å; F387-F738 HydrophobicContact CD2-CE2 3.77Å; F387-F738 AromaticContact CD2-CZ 4Å; F387-F738 HydrophobicContact CD2-CZ 4Å; F387-F738 HydrophobicContact CE2-CE2 4.04Å
388	H	94.6	Very high	93.2	Very high	70 Å²	70	49 Å²	49	32%	0.324	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	133.4	170.5	-176	61.9	0	0	0	110.5	R399	H388-R399 HydrophobicContact CB-CB 4.47Å; H388-R399 PolarHBondContact N-O 3.28Å; H388-R399 PolarHBondContact O-N 2.71Å
389	V	95.1	Very high	93.6	Very high	21 Å²	21	48 Å²	48	13%	0.127	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	131.6	176.2	-179.1	0	0	0	0	108.8	V396 V664 F667 N671	V389-V396 HydrophobicContact CG1-CG1 3.55Å; V389-V664 HydrophobicContact CG1-CG1 4.24Å; V389-F667 HydrophobicContact CG1-CB 3.7Å; V389-F667 HydrophobicContact CG2-CB 4.14Å; V389-N671 HydrophobicContact CG2-CB 4.24Å
390	S	93.7	Very high	93.8	Very high	29 Å²	29	50.1 Å²	50.1	20%	0.203	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	157.4	177.1	56.3	0	0	0	0	109.7	V396 E397 R399	S390-V396 CarbonylContact O-C 3.51Å; S390-V396 WeakPolarHBondContact O-CA 3.45Å; S390-E397 PolarHBondContact N-O 3.45Å; S390-E397 PolarHBondContact O-N 3.25Å; S390-E397 PolarHBondContact OG-O 2.66Å; S390-R399 PolarHBondContact OG-NE 3.46Å
391	S	93.5	Very high	93.9	Very high	31 Å²	31	44.6 Å²	44.6	22%	0.217	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	138.3	176	-173.1	0	0	0	0	111.2	Q656 D660	S391-Q656 PolarHBondContact OG-NE2 3.29Å; S391-D660 WeakPolarHBondContact CB-OD1 3.39Å; S391-D660 WeakPolarHBondContact CB-OD2 3.02Å; S391-D660 PolarHBondContact OG-OD1 3.34Å
392	S	92.9	Very high	93.6	Very high	49 Å²	49	48.3 Å²	48.3	34%	0.343	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	124.2	-177.4	-173	0	0	0	0	110	G394 I395	S392-G394 PolarHBondContact O-N 3.03Å; S392-I395 PolarHBondContact N-O 3.42Å; S392-I395 PolarHBondContact O-N 3.32Å
393	K	93.6	Very high	93.4	Very high	119 Å²	119	53.1 Å²	53.1	52%	0.517	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.1	34	178.9	-56.4	-179	175.3	-169.9	0	113.8	I395 Q656 T709 D711 Y727	K393-I395 VanDerWaalsContact C-N 3.33Å; K393-Q656 VanDerWaalsContact N-OE1 3.11Å; K393-T709 HydrophobicContact CB-CG2 4.26Å; K393-T709 HydrophobicContact CD-CG2 4.36Å; K393-D711 WeakPolarHBondContact CA-OD1 3.32Å; K393-Y727 VanDerWaalsContact O-CE1 3.22Å; K393-Y727 WeakPolarHBondContact O-CE1 3.14Å; K393-Y727 PolarHBondContact O-OH 2.88Å
394	G	94.1	Very high	93.2	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.5	8.7	-175.4	0	0	0	0	0	115.9	S392 I659 Y727 N731	S392-G394 PolarHBondContact O-N 3.03Å; G394-I659 WeakPolarHBondContact O-CG2 3.49Å; G394-Y727 WeakPolarHBondContact O-CD1 3.26Å; G394-N731 PolarHBondContact O-ND2 3.4Å
395	I	95.5	Very high	93.1	Very high	22 Å²	22	52.9 Å²	52.9	11%	0.113	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	127.1	174.1	-58.5	178.5	0	0	0	109	S392 K393 F414 N731	S392-I395 PolarHBondContact N-O 3.42Å; S392-I395 PolarHBondContact O-N 3.32Å; K393-I395 VanDerWaalsContact C-N 3.33Å; I395-F414 HydrophobicContact CG2-CD1 4.39Å; I395-F414 HydrophobicContact CG2-CD2 4.49Å; I395-F414 HydrophobicContact CG2-CE1 4.29Å; I395-F414 HydrophobicContact CG2-CE2 4.38Å; I395-F414 HydrophobicContact CG2-CG 4.49Å; I395-F414 HydrophobicContact CG2-CZ 4.29Å; I395-N731 WeakPolarHBondContact CA-OD1 3.23Å
396	V	95.8	Very high	93	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	122.8	176.1	-176.5	0	0	0	0	110.3	V389 S390 F663 V664 F667 N731	V389-V396 HydrophobicContact CG1-CG1 3.55Å; S390-V396 CarbonylContact O-C 3.51Å; S390-V396 WeakPolarHBondContact O-CA 3.45Å; V396-F663 HydrophobicContact CG2-CB 4.1Å; V396-V664 HydrophobicContact CG2-CG2 3.76Å; V396-F667 HydrophobicContact CB-CD2 3.7Å; V396-F667 HydrophobicContact CB-CE2 3.61Å; V396-F667 HydrophobicContact CB-CG 4.22Å; V396-F667 HydrophobicContact CB-CZ 4.05Å; V396-F667 HydrophobicContact CG1-CB 3.93Å; V396-F667 HydrophobicContact CG1-CD1 3.96Å; V396-F667 HydrophobicContact CG1-CD2 3.49Å; V396-F667 VanDerWaalsContact CG1-CD2 3.49Å; V396-F667 HydrophobicContact CG1-CE1 4.32Å; V396-F667 HydrophobicContact CG1-CE2 3.89Å; V396-F667 HydrophobicContact CG1-CG 3.53Å; V396-F667 HydrophobicContact CG1-CZ 4.27Å; V396-F667 HydrophobicContact CG2-CD2 4.04Å; V396-F667 HydrophobicContact CG2-CE2 4.11Å; V396-N731 WeakPolarHBondContact CG2-OD1 3.01Å; V396-N731 PolarHBondContact N-OD1 2.89Å
397	E	95	Very high	93	Very high	22 Å²	22	51.2 Å²	51.2	10%	0.103	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	128.4	178.1	-48.8	-174.6	161.2	0	0	111	S390 R399 I406 F414	S390-E397 PolarHBondContact N-O 3.45Å; S390-E397 PolarHBondContact O-N 3.25Å; S390-E397 PolarHBondContact OG-O 2.66Å; E397-R399 IonicContact OE2-CZ 2.74Å; E397-R399 VanDerWaalsContact OE2-CZ 3.23Å; E397-R399 IonicContact OE2-NE 3.98Å; E397-R399 PolarHBondContact OE2-NE 3.11Å; E397-R399 IonicContact OE2-NH2 2.76Å; E397-R399 PolarHBondContact OE2-NH2 3Å; E397-I406 HydrophobicContact CB-CD1 4.33Å; E397-I406 HydrophobicContact CB-CG1 4.28Å; E397-I406 HydrophobicContact CB-CG2 4.49Å; E397-I406 HydrophobicContact CG-CD1 4.08Å; E397-I406 WeakPolarHBondContact OE1-CD1 3.28Å; E397-I406 WeakPolarHBondContact OE2-CD1 3.44Å; E397-F414 HydrophobicContact CB-CZ 4.19Å; E397-F414 HydrophobicContact CG-CE2 4.06Å; E397-F414 HydrophobicContact CG-CZ 3.89Å
398	V	95	Very high	92.7	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	120	169.1	-177.6	0	0	0	0	108.8	F387 I406 L407 L410 F667 F738	F387-V398 HydrophobicContact CB-CG1 3.58Å; F387-V398 HydrophobicContact CD2-CG1 4.2Å; F387-V398 HydrophobicContact CG-CG1 3.88Å; V398-I406 WeakPolarHBondContact O-CA 3.28Å; V398-L407 PolarHBondContact O-N 3.11Å; V398-L410 HydrophobicContact CB-CD1 3.72Å; V398-L410 HydrophobicContact CG1-CD1 4.21Å; V398-L410 HydrophobicContact CG2-CD1 3.9Å; V398-F667 HydrophobicContact CG2-CD1 3.6Å; V398-F667 HydrophobicContact CG2-CE1 3.92Å; V398-F738 HydrophobicContact CG1-CE1 4.42Å; V398-F738 HydrophobicContact CG1-CE2 4.32Å; V398-F738 HydrophobicContact CG1-CZ 4.13Å; V398-F738 HydrophobicContact CG2-CD1 3.99Å; V398-F738 HydrophobicContact CG2-CE1 4.05Å; V398-F738 HydrophobicContact CG2-CG 4.43Å
399	R	94.5	Very high	92.4	Very high	71 Å²	71	51.9 Å²	51.9	27%	0.268	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	150.8	-174.9	-63.5	178.8	172.6	-153.8	1.3	111.6	F387 H388 S390 E397 S401 P405 I406	F387-R399 WeakPolarHBondContact CB-O 3.5Å; H388-R399 HydrophobicContact CB-CB 4.47Å; H388-R399 PolarHBondContact N-O 3.28Å; H388-R399 PolarHBondContact O-N 2.71Å; S390-R399 PolarHBondContact OG-NE 3.46Å; E397-R399 IonicContact OE2-CZ 2.74Å; E397-R399 VanDerWaalsContact OE2-CZ 3.23Å; E397-R399 IonicContact OE2-NE 3.98Å; E397-R399 PolarHBondContact OE2-NE 3.11Å; E397-R399 IonicContact OE2-NH2 2.76Å; E397-R399 PolarHBondContact OE2-NH2 3Å; R399-S401 VanDerWaalsContact CB-O 3.3Å; R399-S401 WeakPolarHBondContact CB-O 3.37Å; R399-S401 PolarHBondContact O-N 3.02Å; R399-P405 WeakPolarHBondContact CA-O 3.49Å; R399-I406 HydrophobicContact CG-CG1 4.16Å
400	T	92.3	Very high	92.2	Very high	66 Å²	66	50.9 Å²	50.9	41%	0.405	28%	0.282	S	S	.	.	S	Bend	trans	-64.3	-27.5	178.1	47.1	0	0	0	0	113.8	P405 L407	T400-P405 PolarHBondContact N-O 2.9Å; T400-P405 VanDerWaalsContact OG1-CD 3.24Å; T400-P405 WeakPolarHBondContact OG1-CD 3.25Å; T400-P405 PolarHBondContact OG1-O 3.41Å; T400-P405 VanDerWaalsContact OG1-O 3.05Å; T400-L407 HydrophobicContact CG2-CD1 4.41Å
401	S	90.1	Very high	91.9	Very high	64 Å²	64	55.6 Å²	55.6	45%	0.448	30%	0.299	S	S	.	.	S	Bend	trans	-158.5	179.5	169.2	70.2	0	0	0	0	108.5	R399 D403 G404	R399-S401 VanDerWaalsContact CB-O 3.3Å; R399-S401 WeakPolarHBondContact CB-O 3.37Å; R399-S401 PolarHBondContact O-N 3.02Å; S401-D403 VanDerWaalsContact C-N 3.33Å; S401-D403 PolarHBondContact O-N 3.06Å; S401-G404 PolarHBondContact O-N 3.37Å; S401-G404 VanDerWaalsContact O-N 3.1Å; S401-G404 WeakPolarHBondContact OG-CA 3.4Å; S401-G404 PolarHBondContact OG-N 2.76Å; S401-G404 VanDerWaalsContact OG-N 3.15Å
402	K	88.1	Confident	91.5	Very high	144 Å²	144	61.4 Å²	61.4	63%	0.626	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-49.5	-177.9	-169.8	179.2	-178.7	-177.6	0	113.3
403	D	88.4	Confident	91.3	Very high	149 Å²	149	60.7 Å²	60.7	80%	0.797	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.2	9.9	179.2	-51.4	-67.5	0	0	0	112.1	S401	S401-D403 VanDerWaalsContact C-N 3.33Å; S401-D403 PolarHBondContact O-N 3.06Å
404	G	89.1	Confident	91.1	Very high	10 Å²	10	56.9 Å²	56.9	10%	0.103	30%	0.298	C	S	.	.	S	Bend	trans	-82	165.3	-179.2	0	0	0	0	0	113.4	S401	S401-G404 PolarHBondContact O-N 3.37Å; S401-G404 VanDerWaalsContact O-N 3.1Å; S401-G404 WeakPolarHBondContact OG-CA 3.4Å; S401-G404 PolarHBondContact OG-N 2.76Å; S401-G404 VanDerWaalsContact OG-N 3.15Å
405	P	92.9	Very high	90.9	Very high	96 Å²	96	56.9 Å²	56.9	62%	0.623	30%	0.298	S	S	*	.	P	Polyproline II helix	trans	-62.5	149.6	174.3	26.7	-35.7	0	0	0	112.3	R399 T400	R399-P405 WeakPolarHBondContact CA-O 3.49Å; T400-P405 PolarHBondContact N-O 2.9Å; T400-P405 VanDerWaalsContact OG1-CD 3.24Å; T400-P405 WeakPolarHBondContact OG1-CD 3.25Å; T400-P405 PolarHBondContact OG1-O 3.41Å; T400-P405 VanDerWaalsContact OG1-O 3.05Å
406	I	91.1	Very high	90.8	Very high	30 Å²	30	59.1 Å²	59.1	15%	0.154	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-56.7	137.9	165.4	-51	172.9	0	0	0	108.7	E397 V398 R399 S408 K411 F414	E397-I406 HydrophobicContact CB-CD1 4.33Å; E397-I406 HydrophobicContact CB-CG1 4.28Å; E397-I406 HydrophobicContact CB-CG2 4.49Å; E397-I406 HydrophobicContact CG-CD1 4.08Å; E397-I406 WeakPolarHBondContact OE1-CD1 3.28Å; E397-I406 WeakPolarHBondContact OE2-CD1 3.44Å; V398-I406 WeakPolarHBondContact O-CA 3.28Å; R399-I406 HydrophobicContact CG-CG1 4.16Å; I406-S408 PolarHBondContact O-N 3.04Å; I406-K411 HydrophobicContact CB-CB 4.48Å; I406-K411 HydrophobicContact CB-CD 4.45Å; I406-K411 HydrophobicContact CG2-CB 3.99Å; I406-K411 HydrophobicContact CG2-CG 4.5Å; I406-F414 HydrophobicContact CD1-CE2 3.93Å; I406-F414 HydrophobicContact CD1-CZ 4.28Å; I406-F414 HydrophobicContact CG2-CE2 4.45Å; I406-F414 HydrophobicContact CG2-CZ 3.88Å
407	L	92	Very high	90.6	Very high	23 Å²	23	60.2 Å²	60.2	12%	0.12	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-57.8	124.4	179	-167.6	64	0	0	0	110.4	F387 V398 T400 D409 L410 K411 M741	F387-L407 HydrophobicContact CE1-CD1 4.01Å; F387-L407 HydrophobicContact CE1-CD2 4.32Å; F387-L407 HydrophobicContact CE2-CD2 4.45Å; F387-L407 HydrophobicContact CZ-CD1 4.34Å; F387-L407 HydrophobicContact CZ-CD2 4.1Å; V398-L407 PolarHBondContact O-N 3.11Å; T400-L407 HydrophobicContact CG2-CD1 4.41Å; L407-D409 PolarHBondContact O-N 2.82Å; L407-L410 HydrophobicContact CB-CB 4.49Å; L407-L410 HydrophobicContact CB-CD1 4.28Å; L407-L410 HydrophobicContact CB-CG 4.44Å; L407-L410 HydrophobicContact CD2-CD1 3.81Å; L407-L410 HydrophobicContact CD2-CG 4.09Å; L407-L410 PolarHBondContact O-N 2.89Å; L407-L410 VanDerWaalsContact O-N 3.12Å; L407-K411 PolarHBondContact O-N 3.47Å; L407-M741 HydrophobicContact CD2-CE 3.93Å
408	S	89.3	Confident	90.6	Very high	69 Å²	69	64.9 Å²	64.9	48%	0.483	34%	0.344	S	S	.	.	H	α-helix	trans	-52.9	-42.2	-171.7	45.9	0	0	0	0	113.3	I406 L410 K411 Q412	I406-S408 PolarHBondContact O-N 3.04Å; S408-L410 VanDerWaalsContact C-N 3.28Å; S408-L410 PolarHBondContact O-N 2.78Å; S408-K411 PolarHBondContact O-N 2.87Å; S408-Q412 WeakPolarHBondContact O-CG 3.08Å; S408-Q412 PolarHBondContact O-N 3.38Å
409	D	88.4	Confident	90.6	Very high	74 Å²	74	67.2 Å²	67.2	40%	0.396	36%	0.356	S	S	.	.	H	α-helix	trans	-74.5	-23.2	-171.2	-57.5	5.9	0	0	0	111.7	L407 M741	L407-D409 PolarHBondContact O-N 2.82Å; D409-M741 HydrophobicContact CB-CE 4.48Å; D409-M741 HydrophobicContact CB-SD 4.42Å
410	L	90.8	Very high	90.7	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-92.8	-36.5	176.1	-61.9	179.7	0	0	0	111.2	V398 L407 S408 Q412 L413 F414 T734 R737 F738 M741	V398-L410 HydrophobicContact CB-CD1 3.72Å; V398-L410 HydrophobicContact CG1-CD1 4.21Å; V398-L410 HydrophobicContact CG2-CD1 3.9Å; L407-L410 HydrophobicContact CB-CB 4.49Å; L407-L410 HydrophobicContact CB-CD1 4.28Å; L407-L410 HydrophobicContact CB-CG 4.44Å; L407-L410 HydrophobicContact CD2-CD1 3.81Å; L407-L410 HydrophobicContact CD2-CG 4.09Å; L407-L410 PolarHBondContact O-N 2.89Å; L407-L410 VanDerWaalsContact O-N 3.12Å; S408-L410 VanDerWaalsContact C-N 3.28Å; S408-L410 PolarHBondContact O-N 2.78Å; L410-Q412 PolarHBondContact O-N 3.01Å; L410-L413 WeakPolarHBondContact O-CB 3.49Å; L410-L413 PolarHBondContact O-N 3.08Å; L410-F414 WeakPolarHBondContact O-CD1 3.46Å; L410-T734 HydrophobicContact CB-CG2 4.08Å; L410-T734 HydrophobicContact CD2-CG2 4.48Å; L410-R737 HydrophobicContact CD2-CB 3.7Å; L410-R737 HydrophobicContact CD2-CG 3.55Å; L410-F738 HydrophobicContact CD1-CB 4Å; L410-F738 HydrophobicContact CD1-CD2 4.19Å; L410-F738 HydrophobicContact CD1-CG 4.18Å; L410-F738 HydrophobicContact CD2-CB 4.12Å; L410-M741 HydrophobicContact CD2-SD 4.13Å
411	K	88.1	Confident	90.8	Very high	129 Å²	129	61.1 Å²	61.1	56%	0.561	33%	0.326	S	S	*	.	H	α-helix	trans	-59	-32.3	176.3	-170.7	177.7	179.6	179.6	0	112.8	I406 L407 S408 L413 F414	I406-K411 HydrophobicContact CB-CB 4.48Å; I406-K411 HydrophobicContact CB-CD 4.45Å; I406-K411 HydrophobicContact CG2-CB 3.99Å; I406-K411 HydrophobicContact CG2-CG 4.5Å; L407-K411 PolarHBondContact O-N 3.47Å; S408-K411 PolarHBondContact O-N 2.87Å; K411-L413 PolarHBondContact O-N 3.11Å; K411-F414 PolarHBondContact O-N 3.29Å
412	Q	85.3	Confident	91.1	Very high	153 Å²	153	60.9 Å²	60.9	72%	0.715	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-17	175.7	-70.6	174.4	37.8	0	0	113.9	S408 L410	S408-Q412 WeakPolarHBondContact O-CG 3.08Å; S408-Q412 PolarHBondContact O-N 3.38Å; L410-Q412 PolarHBondContact O-N 3.01Å
413	L	87.8	Confident	91.6	Very high	33 Å²	33	55 Å²	55	17%	0.173	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-5.2	179.7	-57.9	178.8	0	0	0	113.2	R327 L410 K411 T415 R737	R327-L413 WeakPolarHBondContact CD-O 3.3Å; R327-L413 HydrophobicContact CG-CB 4.27Å; R327-L413 HydrophobicContact CG-CD2 3.97Å; L410-L413 WeakPolarHBondContact O-CB 3.49Å; L410-L413 PolarHBondContact O-N 3.08Å; K411-L413 PolarHBondContact O-N 3.11Å; L413-T415 PolarHBondContact O-N 2.73Å; L413-R737 HydrophobicContact CD1-CB 3.26Å; L413-R737 HydrophobicContact CD1-CG 3.46Å; L413-R737 VanDerWaalsContact CD1-CG 3.46Å
414	F	89.9	Confident	92	Very high	39 Å²	39	48.4 Å²	48.4	17%	0.171	27%	0.267	C	S	.	.			trans	-58.5	125	173	-75.6	14.9	0	0	0	108.4	I395 E397 I406 L410 K411 P416 T734	I395-F414 HydrophobicContact CG2-CD1 4.39Å; I395-F414 HydrophobicContact CG2-CD2 4.49Å; I395-F414 HydrophobicContact CG2-CE1 4.29Å; I395-F414 HydrophobicContact CG2-CE2 4.38Å; I395-F414 HydrophobicContact CG2-CG 4.49Å; I395-F414 HydrophobicContact CG2-CZ 4.29Å; E397-F414 HydrophobicContact CB-CZ 4.19Å; E397-F414 HydrophobicContact CG-CE2 4.06Å; E397-F414 HydrophobicContact CG-CZ 3.89Å; I406-F414 HydrophobicContact CD1-CE2 3.93Å; I406-F414 HydrophobicContact CD1-CZ 4.28Å; I406-F414 HydrophobicContact CG2-CE2 4.45Å; I406-F414 HydrophobicContact CG2-CZ 3.88Å; L410-F414 WeakPolarHBondContact O-CD1 3.46Å; K411-F414 PolarHBondContact O-N 3.29Å; F414-P416 VanDerWaalsContact O-CD 3.32Å; F414-P416 WeakPolarHBondContact O-CD 3.22Å; F414-T734 HydrophobicContact CD1-CG2 4.33Å; F414-T734 HydrophobicContact CE1-CG2 3.86Å
415	T	90	Very high	92.3	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.28	C	S	.	.			trans	-90.3	111.6	175.4	-63.3	0	0	0	0	107.7	Y324 R327 L413 F420 Y726 Y729	Y324-T415 HydrophobicContact CE1-CG2 3.79Å; R327-T415 WeakPolarHBondContact CD-OG1 3.22Å; R327-T415 PolarHBondContact NH1-OG1 3.4Å; L413-T415 PolarHBondContact O-N 2.73Å; T415-F420 HydrophobicContact CG2-CB 4.42Å; T415-Y726 HydrophobicContact CG2-CE2 4.05Å; T415-Y726 PolarHBondContact O-OH 3.42Å; T415-Y729 HydrophobicContact CG2-CE1 4.41Å
416	P	92.3	Very high	92.4	Very high	70 Å²	70	49 Å²	49	46%	0.455	26%	0.26	S	S	.	.			trans	-68.1	141.7	176.9	-16.6	32.7	0	0	0	109.9	F414 D418 E419 F420	F414-P416 VanDerWaalsContact O-CD 3.32Å; F414-P416 WeakPolarHBondContact O-CD 3.22Å; P416-D418 VanDerWaalsContact C-N 3.28Å; P416-D418 PolarHBondContact O-N 3.34Å; P416-E419 HydrophobicContact CB-CB 4.3Å; P416-E419 VanDerWaalsContact CD-OE2 3.24Å; P416-E419 WeakPolarHBondContact CD-OE2 3.46Å; P416-E419 HydrophobicContact CG-CB 4.38Å; P416-E419 WeakPolarHBondContact O-CB 3.34Å; P416-E419 PolarHBondContact O-N 2.87Å; P416-E419 VanDerWaalsContact O-N 3.13Å; P416-F420 PolarHBondContact O-N 2.93Å
417	F	93.2	Very high	92.7	Very high	23 Å²	23	47.7 Å²	47.7	10%	0.101	25%	0.253	C	S	.	.	H	α-helix	trans	-58.5	-42.2	179.9	-168.2	-96.1	0	0	0	111.5	E419 F420 V421 I703 T707 Y723 Y726	F417-E419 VanDerWaalsContact C-N 3.31Å; F417-E419 PolarHBondContact O-N 2.92Å; F417-F420 AromaticContact CD2-CD1 3.99Å; F417-F420 HydrophobicContact CD2-CD1 3.99Å; F417-F420 HydrophobicContact CD2-CE1 4.33Å; F417-F420 AromaticContact CE2-CD1 3.93Å; F417-F420 HydrophobicContact CE2-CD1 3.93Å; F417-F420 AromaticContact CE2-CE1 3.8Å; F417-F420 HydrophobicContact CE2-CE1 3.8Å; F417-F420 HydrophobicContact CG-CD1 4.49Å; F417-F420 HydrophobicContact CZ-CD1 4.38Å; F417-F420 HydrophobicContact CZ-CE1 4.08Å; F417-F420 WeakPolarHBondContact O-CB 3.47Å; F417-F420 PolarHBondContact O-N 3.03Å; F417-V421 HydrophobicContact CD1-CG2 3.64Å; F417-V421 HydrophobicContact CE1-CG2 3.34Å; F417-V421 HydrophobicContact CG-CG2 4.45Å; F417-V421 HydrophobicContact CZ-CG2 3.95Å; F417-V421 WeakPolarHBondContact O-CG2 3.4Å; F417-V421 PolarHBondContact O-N 3.14Å; F417-I703 HydrophobicContact CZ-CG2 4.34Å; F417-T707 HydrophobicContact CE1-CG2 4.36Å; F417-T707 HydrophobicContact CZ-CG2 3.81Å; F417-Y723 HydrophobicContact CE2-CD2 4.28Å; F417-Y723 HydrophobicContact CE2-CE2 4.21Å; F417-Y723 HydrophobicContact CZ-CE2 4.43Å; F417-Y726 WeakPolarHBondContact CA-OH 3.5Å; F417-Y726 AromaticContact CD2-CD1 3.9Å; F417-Y726 HydrophobicContact CD2-CD1 3.9Å; F417-Y726 HydrophobicContact CD2-CD2 4.45Å; F417-Y726 AromaticContact CD2-CE1 3.57Å; F417-Y726 HydrophobicContact CD2-CE1 3.57Å; F417-Y726 HydrophobicContact CD2-CE2 4.11Å; F417-Y726 HydrophobicContact CD2-CG 4.34Å; F417-Y726 AromaticContact CD2-CZ 3.66Å; F417-Y726 HydrophobicContact CE2-CD1 4.13Å; F417-Y726 HydrophobicContact CE2-CE1 4.25Å; F417-Y726 HydrophobicContact CE2-CG 4.48Å; F417-Y726 PolarHBondContact N-OH 3.07Å
418	D	93.9	Very high	92.9	Very high	119 Å²	119	48.5 Å²	48.5	64%	0.636	26%	0.257	S	S	*	.	H	α-helix	trans	-62.1	-34.4	178.4	-55.1	-35.6	0	0	0	113.2	P416 A422	P416-D418 VanDerWaalsContact C-N 3.28Å; P416-D418 PolarHBondContact O-N 3.34Å; D418-A422 VanDerWaalsContact O-CB 3.3Å; D418-A422 WeakPolarHBondContact O-CB 3.3Å; D418-A422 PolarHBondContact O-N 2.76Å
419	E	95.2	Very high	93.2	Very high	50 Å²	50	49.9 Å²	49.9	23%	0.234	26%	0.263	C	S	.	.	H	α-helix	trans	-67.6	-46.5	175.7	-171.9	-167.3	-171.1	0	0	110.3	K323 R327 P416 F417 A422 D423	K323-E419 WeakPolarHBondContact CD-OE1 3.45Å; K323-E419 VanDerWaalsContact CE-OE1 3.31Å; K323-E419 WeakPolarHBondContact CE-OE1 3.05Å; K323-E419 IonicContact NZ-OE1 3.82Å; K323-E419 PolarHBondContact NZ-OE1 3.03Å; R327-E419 IonicContact CZ-OE1 3.58Å; R327-E419 IonicContact CZ-OE2 2.76Å; R327-E419 VanDerWaalsContact CZ-OE2 3.3Å; R327-E419 IonicContact NH1-OE1 2.76Å; R327-E419 IonicContact NH1-OE2 3.83Å; R327-E419 PolarHBondContact NH1-OE2 3.29Å; R327-E419 VanDerWaalsContact NH2-CD 3.35Å; R327-E419 IonicContact NH2-OE1 2.71Å; R327-E419 PolarHBondContact NH2-OE1 3.46Å; R327-E419 IonicContact NH2-OE2 3.35Å; R327-E419 PolarHBondContact NH2-OE2 3.2Å; P416-E419 HydrophobicContact CB-CB 4.3Å; P416-E419 VanDerWaalsContact CD-OE2 3.24Å; P416-E419 WeakPolarHBondContact CD-OE2 3.46Å; P416-E419 HydrophobicContact CG-CB 4.38Å; P416-E419 WeakPolarHBondContact O-CB 3.34Å; P416-E419 PolarHBondContact O-N 2.87Å; P416-E419 VanDerWaalsContact O-N 3.13Å; F417-E419 VanDerWaalsContact C-N 3.31Å; F417-E419 PolarHBondContact O-N 2.92Å; E419-A422 PolarHBondContact O-N 3.05Å; E419-D423 PolarHBondContact O-N 3.35Å; E419-D423 VanDerWaalsContact O-N 3.07Å
420	F	95.6	Very high	93.5	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-57.8	-50.2	174.7	149.2	-116.8	0	0	0	111.4	T415 P416 F417 A422 D423 F424 I703 A722 Y726 I764 M767 F768	T415-F420 HydrophobicContact CG2-CB 4.42Å; P416-F420 PolarHBondContact O-N 2.93Å; F417-F420 AromaticContact CD2-CD1 3.99Å; F417-F420 HydrophobicContact CD2-CD1 3.99Å; F417-F420 HydrophobicContact CD2-CE1 4.33Å; F417-F420 AromaticContact CE2-CD1 3.93Å; F417-F420 HydrophobicContact CE2-CD1 3.93Å; F417-F420 AromaticContact CE2-CE1 3.8Å; F417-F420 HydrophobicContact CE2-CE1 3.8Å; F417-F420 HydrophobicContact CG-CD1 4.49Å; F417-F420 HydrophobicContact CZ-CD1 4.38Å; F417-F420 HydrophobicContact CZ-CE1 4.08Å; F417-F420 WeakPolarHBondContact O-CB 3.47Å; F417-F420 PolarHBondContact O-N 3.03Å; F420-A422 VanDerWaalsContact C-N 3.33Å; F420-A422 PolarHBondContact O-N 2.61Å; F420-D423 PolarHBondContact O-N 2.99Å; F420-F424 HydrophobicContact CD2-CB 4.11Å; F420-F424 HydrophobicContact CE2-CB 3.78Å; F420-F424 HydrophobicContact CE2-CD1 4.43Å; F420-F424 HydrophobicContact CE2-CD2 4.3Å; F420-F424 AromaticContact CE2-CG 3.94Å; F420-F424 HydrophobicContact CE2-CG 3.94Å; F420-F424 HydrophobicContact CZ-CG 4.45Å; F420-F424 WeakPolarHBondContact O-CB 3.47Å; F420-F424 PolarHBondContact O-N 3.38Å; F420-I703 HydrophobicContact CE1-CG2 3.78Å; F420-I703 HydrophobicContact CZ-CG2 3.88Å; F420-A722 HydrophobicContact CZ-CB 4.41Å; F420-Y726 HydrophobicContact CB-CD2 3.6Å; F420-Y726 HydrophobicContact CB-CE2 3.69Å; F420-Y726 AromaticContact CD1-CD2 3.26Å; F420-Y726 HydrophobicContact CD1-CD2 3.26Å; F420-Y726 AromaticContact CD1-CE2 3.8Å; F420-Y726 HydrophobicContact CD1-CE2 3.8Å; F420-Y726 AromaticContact CD1-CG 3.74Å; F420-Y726 HydrophobicContact CD1-CG 3.74Å; F420-Y726 HydrophobicContact CD2-CD2 4.16Å; F420-Y726 AromaticContact CE1-CD2 3.95Å; F420-Y726 HydrophobicContact CE1-CD2 3.95Å; F420-Y726 AromaticContact CE1-CG 3.96Å; F420-Y726 HydrophobicContact CE1-CG 3.96Å; F420-Y726 AromaticContact CG-CD2 3.38Å; F420-Y726 HydrophobicContact CG-CD2 3.38Å; F420-Y726 AromaticContact CG-CE2 3.95Å; F420-Y726 HydrophobicContact CG-CE2 3.95Å; F420-Y726 HydrophobicContact CG-CG 4.2Å; F420-I764 HydrophobicContact CD2-CD1 4.07Å; F420-I764 HydrophobicContact CE2-CD1 3.51Å; F420-I764 HydrophobicContact CZ-CD1 4.45Å; F420-M767 HydrophobicContact CD2-CE 4.1Å; F420-F768 HydrophobicContact CB-CZ 4.21Å; F420-F768 AromaticContact CD2-CE2 3.87Å; F420-F768 HydrophobicContact CD2-CE2 3.87Å; F420-F768 AromaticContact CD2-CZ 3.59Å; F420-F768 HydrophobicContact CD2-CZ 3.59Å; F420-F768 HydrophobicContact CE2-CE2 4.23Å; F420-F768 HydrophobicContact CE2-CZ 4.36Å; F420-F768 HydrophobicContact CG-CE2 4.49Å; F420-F768 HydrophobicContact CG-CZ 4.13Å
421	V	96	Very high	93.7	Very high	8 Å²	8	47.3 Å²	47.3	5%	0.048	25%	0.249	C	C	.	.	H	α-helix	trans	-59.9	-44.5	180	171	0	0	0	0	110.8	F417 F424 L425 I703	F417-V421 HydrophobicContact CD1-CG2 3.64Å; F417-V421 HydrophobicContact CE1-CG2 3.34Å; F417-V421 HydrophobicContact CG-CG2 4.45Å; F417-V421 HydrophobicContact CZ-CG2 3.95Å; F417-V421 WeakPolarHBondContact O-CG2 3.4Å; F417-V421 PolarHBondContact O-N 3.14Å; V421-F424 PolarHBondContact O-N 3.24Å; V421-L425 HydrophobicContact CG1-CD1 3.64Å; V421-L425 HydrophobicContact CG1-CG 4.18Å; V421-L425 WeakPolarHBondContact O-CB 3.42Å; V421-L425 VanDerWaalsContact O-CG 3.27Å; V421-L425 WeakPolarHBondContact O-CG 3.31Å; V421-L425 PolarHBondContact O-N 3.2Å; V421-I703 HydrophobicContact CG2-CG2 3.85Å
422	A	96.5	Very high	93.9	Very high	59 Å²	59	48.7 Å²	48.7	49%	0.488	26%	0.259	S	S	.	.	H	α-helix	trans	-61.5	-45.9	179.4	0	0	0	0	0	112.4	D418 E419 F420 Y426	D418-A422 VanDerWaalsContact O-CB 3.3Å; D418-A422 WeakPolarHBondContact O-CB 3.3Å; D418-A422 PolarHBondContact O-N 2.76Å; E419-A422 PolarHBondContact O-N 3.05Å; F420-A422 VanDerWaalsContact C-N 3.33Å; F420-A422 PolarHBondContact O-N 2.61Å; A422-Y426 VanDerWaalsContact O-CB 3.27Å; A422-Y426 WeakPolarHBondContact O-CB 3.26Å; A422-Y426 PolarHBondContact O-N 2.71Å
423	D	97.2	Very high	94.3	Very high	22 Å²	22	43.4 Å²	43.4	12%	0.118	24%	0.236	C	C	.	.	H	α-helix	trans	-68.8	-40.3	177.6	-77.3	-14.9	0	0	0	112.5	I320 K323 Y324 E419 F420 Y426 L427 M767	I320-D423 HydrophobicContact CD1-CB 4.25Å; I320-D423 HydrophobicContact CG2-CB 3.96Å; K323-D423 VanDerWaalsContact CE-OD2 3.32Å; K323-D423 WeakPolarHBondContact CE-OD2 3.22Å; K323-D423 IonicContact NZ-OD1 3.53Å; K323-D423 IonicContact NZ-OD2 2.71Å; K323-D423 PolarHBondContact NZ-OD2 2.85Å; Y324-D423 HydrophobicContact CE2-CB 4.38Å; Y324-D423 VanDerWaalsContact CE2-OD2 3.28Å; Y324-D423 WeakPolarHBondContact CE2-OD2 3.41Å; Y324-D423 PolarHBondContact OH-OD2 3.09Å; Y324-D423 VanDerWaalsContact OH-OD2 3.05Å; E419-D423 PolarHBondContact O-N 3.35Å; E419-D423 VanDerWaalsContact O-N 3.07Å; F420-D423 PolarHBondContact O-N 2.99Å; D423-Y426 PolarHBondContact O-N 3.01Å; D423-L427 WeakPolarHBondContact O-CG 3.37Å; D423-L427 PolarHBondContact O-N 3.49Å; D423-M767 HydrophobicContact CB-CE 3.63Å
424	F	96.5	Very high	94.5	Very high	9 Å²	9	43.6 Å²	43.6	4%	0.039	25%	0.246	C	C	.	.	H	α-helix	trans	-65.5	-46.5	179.8	-179.8	-114.2	0	0	0	111.5	F420 V421 Y426 L427 L428 I703 A722 V763 I764 M767	F420-F424 HydrophobicContact CD2-CB 4.11Å; F420-F424 HydrophobicContact CE2-CB 3.78Å; F420-F424 HydrophobicContact CE2-CD1 4.43Å; F420-F424 HydrophobicContact CE2-CD2 4.3Å; F420-F424 AromaticContact CE2-CG 3.94Å; F420-F424 HydrophobicContact CE2-CG 3.94Å; F420-F424 HydrophobicContact CZ-CG 4.45Å; F420-F424 WeakPolarHBondContact O-CB 3.47Å; F420-F424 PolarHBondContact O-N 3.38Å; V421-F424 PolarHBondContact O-N 3.24Å; F424-Y426 VanDerWaalsContact C-N 3.34Å; F424-L427 PolarHBondContact O-N 2.97Å; F424-L428 HydrophobicContact CD1-CD1 3.79Å; F424-L428 HydrophobicContact CE1-CD1 3.49Å; F424-L428 VanDerWaalsContact CE1-CD1 3.49Å; F424-L428 HydrophobicContact CE1-CG 4.46Å; F424-L428 HydrophobicContact CE2-CD1 4.33Å; F424-L428 HydrophobicContact CE2-CG 4.49Å; F424-L428 HydrophobicContact CG-CD1 4.34Å; F424-L428 HydrophobicContact CZ-CD1 3.8Å; F424-L428 HydrophobicContact CZ-CG 4.38Å; F424-L428 WeakPolarHBondContact O-CB 3.37Å; F424-L428 VanDerWaalsContact O-CG 3.31Å; F424-L428 WeakPolarHBondContact O-CG 3.38Å; F424-L428 PolarHBondContact O-N 2.93Å; F424-I703 HydrophobicContact CD1-CB 4.36Å; F424-I703 HydrophobicContact CD1-CG2 4.25Å; F424-I703 HydrophobicContact CE1-CB 4.09Å; F424-I703 HydrophobicContact CE1-CG2 4.47Å; F424-A722 HydrophobicContact CE1-CB 4.36Å; F424-A722 HydrophobicContact CE2-CB 4.28Å; F424-A722 HydrophobicContact CZ-CB 3.89Å; F424-V763 HydrophobicContact CD2-CB 4.37Å; F424-V763 HydrophobicContact CD2-CG1 3.82Å; F424-V763 HydrophobicContact CE2-CB 4.05Å; F424-V763 HydrophobicContact CE2-CG1 4.01Å; F424-I764 HydrophobicContact CD2-CB 4.31Å; F424-I764 HydrophobicContact CD2-CD1 4.46Å; F424-I764 HydrophobicContact CE2-CB 3.96Å; F424-M767 HydrophobicContact CB-CE 4.19Å; F424-M767 HydrophobicContact CB-SD 4.01Å; F424-M767 HydrophobicContact CD2-SD 3.98Å
425	L	95.6	Very high	94.7	Very high	71 Å²	71	46 Å²	46	37%	0.372	27%	0.265	S	S	.	.	H	α-helix	trans	-66.2	-35.5	174.7	-68.2	176.6	0	0	0	112.1	V421 L428 T429	V421-L425 HydrophobicContact CG1-CD1 3.64Å; V421-L425 HydrophobicContact CG1-CG 4.18Å; V421-L425 WeakPolarHBondContact O-CB 3.42Å; V421-L425 VanDerWaalsContact O-CG 3.27Å; V421-L425 WeakPolarHBondContact O-CG 3.31Å; V421-L425 PolarHBondContact O-N 3.2Å; L425-L428 HydrophobicContact CD2-CD1 4.25Å; L425-T429 WeakPolarHBondContact O-CB 3.08Å; L425-T429 PolarHBondContact O-N 3.45Å; L425-T429 PolarHBondContact O-OG1 3.1Å
426	Y	96.5	Very high	94.9	Very high	49 Å²	49	46.1 Å²	46.1	19%	0.192	27%	0.266	C	S	.	.	H	α-helix	trans	-61.1	-51.9	172.5	174.1	-102.9	0	0	0	111	E313 K316 I320 A422 D423 F424 L428 T429 T430	E313-Y426 WeakPolarHBondContact CA-OH 3.36Å; K316-Y426 HydrophobicContact CB-CE1 4.14Å; K316-Y426 HydrophobicContact CD-CD1 4.34Å; K316-Y426 HydrophobicContact CD-CE1 3.64Å; K316-Y426 HydrophobicContact CD-CE2 4.06Å; K316-Y426 HydrophobicContact CG-CD1 4.46Å; K316-Y426 HydrophobicContact CG-CE1 3.67Å; K316-Y426 VanDerWaalsContact NZ-CD2 3.29Å; K316-Y426 VanDerWaalsContact NZ-CE2 3.27Å; I320-Y426 HydrophobicContact CD1-CD1 3.52Å; I320-Y426 HydrophobicContact CD1-CE1 3.99Å; A422-Y426 VanDerWaalsContact O-CB 3.27Å; A422-Y426 WeakPolarHBondContact O-CB 3.26Å; A422-Y426 PolarHBondContact O-N 2.71Å; D423-Y426 PolarHBondContact O-N 3.01Å; F424-Y426 VanDerWaalsContact C-N 3.34Å; Y426-L428 PolarHBondContact O-N 3.36Å; Y426-T429 WeakPolarHBondContact O-CB 3.41Å; Y426-T429 PolarHBondContact O-N 3.12Å; Y426-T429 VanDerWaalsContact O-N 3.08Å; Y426-T430 PolarHBondContact O-N 3.01Å; Y426-T430 PolarHBondContact O-OG1 2.88Å
427	L	97	Very high	95	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-64.4	-37.1	178.9	-70.9	177.1	0	0	0	112.8	A317 I320 D423 F424 T429 T430 I431 V763 F766 M767	A317-L427 HydrophobicContact CB-CD2 3.5Å; I320-L427 HydrophobicContact CD1-CD2 4.34Å; I320-L427 HydrophobicContact CD1-CG 4.27Å; I320-L427 HydrophobicContact CG2-CD1 4.02Å; D423-L427 WeakPolarHBondContact O-CG 3.37Å; D423-L427 PolarHBondContact O-N 3.49Å; F424-L427 PolarHBondContact O-N 2.97Å; L427-T429 VanDerWaalsContact C-N 3.28Å; L427-T429 PolarHBondContact O-N 2.92Å; L427-T430 PolarHBondContact O-N 2.86Å; L427-I431 WeakPolarHBondContact O-CG2 3.37Å; L427-I431 PolarHBondContact O-N 3.31Å; L427-V763 HydrophobicContact CB-CG1 3.53Å; L427-V763 HydrophobicContact CD1-CG1 4.1Å; L427-V763 HydrophobicContact CG-CG1 4.49Å; L427-F766 HydrophobicContact CD1-CD1 4.26Å; L427-M767 HydrophobicContact CD1-CG 3.47Å; L427-M767 VanDerWaalsContact CD1-CG 3.47Å; L427-M767 HydrophobicContact CD1-SD 3.83Å
428	L	95.3	Very high	95	Very high	41 Å²	41	50.2 Å²	50.2	22%	0.215	29%	0.286	C	S	.	.	H	α-helix	trans	-58.8	-39.9	171.6	-78.1	170.6	0	0	0	111.9	F424 L425 Y426 I431 M432 V763	F424-L428 HydrophobicContact CD1-CD1 3.79Å; F424-L428 HydrophobicContact CE1-CD1 3.49Å; F424-L428 VanDerWaalsContact CE1-CD1 3.49Å; F424-L428 HydrophobicContact CE1-CG 4.46Å; F424-L428 HydrophobicContact CE2-CD1 4.33Å; F424-L428 HydrophobicContact CE2-CG 4.49Å; F424-L428 HydrophobicContact CG-CD1 4.34Å; F424-L428 HydrophobicContact CZ-CD1 3.8Å; F424-L428 HydrophobicContact CZ-CG 4.38Å; F424-L428 WeakPolarHBondContact O-CB 3.37Å; F424-L428 VanDerWaalsContact O-CG 3.31Å; F424-L428 WeakPolarHBondContact O-CG 3.38Å; F424-L428 PolarHBondContact O-N 2.93Å; L425-L428 HydrophobicContact CD2-CD1 4.25Å; Y426-L428 PolarHBondContact O-N 3.36Å; L428-I431 HydrophobicContact CD2-CD1 4.31Å; L428-I431 WeakPolarHBondContact O-CG1 3.13Å; L428-M432 WeakPolarHBondContact O-CG 3.49Å; L428-M432 PolarHBondContact O-N 3.3Å; L428-V763 HydrophobicContact CD2-CG2 4.02Å
429	T	95.3	Very high	95	Very high	97 Å²	97	44.9 Å²	44.9	60%	0.595	26%	0.257	S	S	*	.	H	α-helix	trans	-68.3	-45.5	175.8	-53.5	0	0	0	0	111.1	L425 Y426 L427 I431 M432 N433	L425-T429 WeakPolarHBondContact O-CB 3.08Å; L425-T429 PolarHBondContact O-N 3.45Å; L425-T429 PolarHBondContact O-OG1 3.1Å; Y426-T429 WeakPolarHBondContact O-CB 3.41Å; Y426-T429 PolarHBondContact O-N 3.12Å; Y426-T429 VanDerWaalsContact O-N 3.08Å; L427-T429 VanDerWaalsContact C-N 3.28Å; L427-T429 PolarHBondContact O-N 2.92Å; T429-I431 PolarHBondContact O-N 3.02Å; T429-M432 WeakPolarHBondContact O-CA 3.16Å; T429-M432 WeakPolarHBondContact O-CB 3.4Å; T429-M432 PolarHBondContact O-N 2.75Å; T429-N433 PolarHBondContact O-N 2.77Å; T429-N433 VanDerWaalsContact O-N 3.16Å
430	T	95.1	Very high	95	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.006	25%	0.246	C	C	.	.	H	α-helix	trans	-58.8	-40.9	177.5	-71.4	0	0	0	0	112.7	E313 Y426 L427 M432 N433 L436 V783	E313-T430 HydrophobicContact CB-CG2 4.22Å; E313-T430 WeakPolarHBondContact OE2-CA 3.28Å; E313-T430 VanDerWaalsContact OE2-CB 3.27Å; E313-T430 WeakPolarHBondContact OE2-CB 3.32Å; E313-T430 WeakPolarHBondContact OE2-CG2 3.33Å; E313-T430 PolarHBondContact OE2-OG1 3.07Å; Y426-T430 PolarHBondContact O-N 3.01Å; Y426-T430 PolarHBondContact O-OG1 2.88Å; L427-T430 PolarHBondContact O-N 2.86Å; T430-M432 PolarHBondContact O-N 2.96Å; T430-N433 WeakPolarHBondContact O-CB 3.29Å; T430-N433 PolarHBondContact O-N 3.48Å; T430-L436 HydrophobicContact CG2-CD2 3.47Å; T430-L436 VanDerWaalsContact CG2-CD2 3.47Å; T430-V783 HydrophobicContact CG2-CG1 4.17Å
431	I	95	Very high	95	Very high	19 Å²	19	46.7 Å²	46.7	10%	0.097	27%	0.266	C	S	.	.	H	α-helix	trans	-70.7	-17.8	176.3	65.6	161.1	0	0	0	113.6	L427 L428 T429 V759 V763 V781 V783 L784	L427-I431 WeakPolarHBondContact O-CG2 3.37Å; L427-I431 PolarHBondContact O-N 3.31Å; L428-I431 HydrophobicContact CD2-CD1 4.31Å; L428-I431 WeakPolarHBondContact O-CG1 3.13Å; T429-I431 PolarHBondContact O-N 3.02Å; I431-V759 HydrophobicContact CD1-CG1 3.59Å; I431-V763 HydrophobicContact CD1-CG2 3.83Å; I431-V781 HydrophobicContact CB-CG1 4.33Å; I431-V781 HydrophobicContact CD1-CG1 4.5Å; I431-V783 HydrophobicContact CB-CB 4.43Å; I431-V783 HydrophobicContact CG2-CB 4.16Å; I431-V783 HydrophobicContact CG2-CG1 4.12Å; I431-L784 HydrophobicContact CG2-CD1 4.3Å; I431-L784 HydrophobicContact CG2-CD2 3.69Å; I431-L784 HydrophobicContact CG2-CG 3.64Å
432	M	92.5	Very high	94.9	Very high	158 Å²	158	52.7 Å²	52.7	78%	0.778	29%	0.288	S	S	*	.	H	α-helix	trans	-90.2	-12.4	175.7	-69.1	-179.3	65.3	0	0	113.2	L428 T429 T430 G434	L428-M432 WeakPolarHBondContact O-CG 3.49Å; L428-M432 PolarHBondContact O-N 3.3Å; T429-M432 WeakPolarHBondContact O-CA 3.16Å; T429-M432 WeakPolarHBondContact O-CB 3.4Å; T429-M432 PolarHBondContact O-N 2.75Å; T430-M432 PolarHBondContact O-N 2.96Å; M432-G434 PolarHBondContact O-N 3.45Å
433	N	93.7	Very high	94.9	Very high	42 Å²	42	50.6 Å²	50.6	23%	0.225	27%	0.267	C	S	.	.			trans	-62.2	118.2	176.5	179.5	-33.6	0	0	0	110.7	E313 T429 T430 P435 L436 K437	E313-N433 PolarHBondContact OE1-ND2 3.06Å; T429-N433 PolarHBondContact O-N 2.77Å; T429-N433 VanDerWaalsContact O-N 3.16Å; T430-N433 WeakPolarHBondContact O-CB 3.29Å; T430-N433 PolarHBondContact O-N 3.48Å; N433-P435 WeakPolarHBondContact OD1-CD 3.29Å; N433-L436 HydrophobicContact CB-CB 3.93Å; N433-L436 PolarHBondContact OD1-N 2.92Å; N433-K437 WeakPolarHBondContact O-CB 3.36Å; N433-K437 PolarHBondContact O-N 3.21Å
434	G	93.2	Very high	94.8	Very high	37 Å²	37	49.5 Å²	49.5	38%	0.381	26%	0.261	S	S	.	.	H	α-helix	trans	-65	-54.1	-177.2	0	0	0	0	0	114.5	M432 K437 S438	M432-G434 PolarHBondContact O-N 3.45Å; G434-K437 PolarHBondContact O-N 2.83Å; G434-S438 PolarHBondContact O-N 2.91Å; G434-S438 PolarHBondContact O-OG 2.92Å
435	P	92.5	Very high	94.8	Very high	90 Å²	90	51.4 Å²	51.4	58%	0.584	28%	0.275	S	S	*	.	H	α-helix	trans	-49.2	-52.4	169.1	-31.9	34.9	0	0	0	113.7	N433 K437 S438 F439	N433-P435 WeakPolarHBondContact OD1-CD 3.29Å; P435-K437 PolarHBondContact O-N 3.02Å; P435-S438 WeakPolarHBondContact O-CB 3.41Å; P435-S438 PolarHBondContact O-N 3.47Å; P435-S438 VanDerWaalsContact O-N 3.08Å; P435-F439 PolarHBondContact O-N 3.09Å
436	L	94.5	Very high	94.7	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.01	27%	0.268	C	S	.	.	H	α-helix	trans	-63	-41.7	-179.6	178.7	60.8	0	0	0	112.1	A310 E313 V314 T430 N433 S438 F439 C440 V783	A310-L436 HydrophobicContact CB-CD1 3.76Å; E313-L436 HydrophobicContact CB-CD2 3.93Å; V314-L436 HydrophobicContact CG2-CD1 3.96Å; T430-L436 HydrophobicContact CG2-CD2 3.47Å; T430-L436 VanDerWaalsContact CG2-CD2 3.47Å; N433-L436 HydrophobicContact CB-CB 3.93Å; N433-L436 PolarHBondContact OD1-N 2.92Å; L436-S438 PolarHBondContact O-N 2.76Å; L436-F439 HydrophobicContact CD1-CD1 4.2Å; L436-F439 PolarHBondContact O-N 2.77Å; L436-C440 WeakPolarHBondContact O-CB 3.48Å; L436-C440 PolarHBondContact O-N 3.48Å; L436-C440 PolarHBondContact O-SG 3.13Å; L436-C440 VanDerWaalsContact O-SG 3.36Å; L436-V783 HydrophobicContact CD2-CG1 3.88Å; L436-V783 HydrophobicContact CD2-CG2 4.41Å; L436-V783 HydrophobicContact CG-CG1 4.23Å; L436-V783 HydrophobicContact CG-CG2 4.06Å
437	K	94.8	Very high	94.7	Very high	101 Å²	101	48.5 Å²	48.5	44%	0.439	26%	0.259	S	S	.	.	H	α-helix	trans	-59	-38	174.3	-179.4	175.8	179.3	176.4	0	112	N433 G434 P435 H441 P782 V783	N433-K437 WeakPolarHBondContact O-CB 3.36Å; N433-K437 PolarHBondContact O-N 3.21Å; G434-K437 PolarHBondContact O-N 2.83Å; P435-K437 PolarHBondContact O-N 3.02Å; K437-H441 WeakPolarHBondContact O-CB 3.4Å; K437-H441 PolarHBondContact O-N 3.04Å; K437-P782 HydrophobicContact CG-CB 4.48Å; K437-P782 HydrophobicContact CG-CG 4.14Å; K437-V783 HydrophobicContact CB-CG2 4.05Å
438	S	93.1	Very high	94.8	Very high	78 Å²	78	51.1 Å²	51.1	55%	0.545	27%	0.271	S	S	.	.	H	α-helix	trans	-70.4	-43.5	177.7	-55.2	0	0	0	0	111.6	G434 P435 L436 R442	G434-S438 PolarHBondContact O-N 2.91Å; G434-S438 PolarHBondContact O-OG 2.92Å; P435-S438 WeakPolarHBondContact O-CB 3.41Å; P435-S438 PolarHBondContact O-N 3.47Å; P435-S438 VanDerWaalsContact O-N 3.08Å; L436-S438 PolarHBondContact O-N 2.76Å; S438-R442 WeakPolarHBondContact O-CB 3.33Å; S438-R442 PolarHBondContact O-N 3.04Å
439	F	93.9	Very high	94.8	Very high	7 Å²	7	52.6 Å²	52.6	3%	0.031	29%	0.285	C	S	.	.	H	α-helix	trans	-58.8	-57.1	173.2	171.6	-102.9	0	0	0	111.8	V302 L307 A310 P435 L436 H441 R442 R443 Y786	V302-F439 HydrophobicContact CG1-CD2 4.3Å; V302-F439 HydrophobicContact CG2-CD2 3.8Å; V302-F439 HydrophobicContact CG2-CE2 4.04Å; L307-F439 HydrophobicContact CD1-CD2 4.5Å; L307-F439 HydrophobicContact CD1-CE2 3.5Å; L307-F439 HydrophobicContact CD1-CZ 3.71Å; A310-F439 HydrophobicContact CB-CB 4.28Å; A310-F439 HydrophobicContact CB-CD1 3.71Å; A310-F439 HydrophobicContact CB-CE1 4.15Å; A310-F439 HydrophobicContact CB-CG 3.92Å; P435-F439 PolarHBondContact O-N 3.09Å; L436-F439 HydrophobicContact CD1-CD1 4.2Å; L436-F439 PolarHBondContact O-N 2.77Å; F439-H441 VanDerWaalsContact C-N 3.3Å; F439-H441 PolarHBondContact O-N 3.45Å; F439-R442 WeakPolarHBondContact O-CB 3.38Å; F439-R442 PolarHBondContact O-N 2.88Å; F439-R443 HydrophobicContact CD1-CG 4.42Å; F439-R443 HydrophobicContact CD2-CG 4.31Å; F439-R443 HydrophobicContact CE1-CG 3.99Å; F439-R443 HydrophobicContact CE2-CG 3.86Å; F439-R443 HydrophobicContact CZ-CG 3.69Å; F439-R443 PolarHBondContact O-N 3.09Å; F439-Y786 HydrophobicContact CE1-CE1 4.13Å
440	C	96.1	Very high	94.8	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-59.1	-40.7	-179.7	-67.6	0	0	0	0	111.7	L436 R442 R443 L444 P782 V783 Y786	L436-C440 WeakPolarHBondContact O-CB 3.48Å; L436-C440 PolarHBondContact O-N 3.48Å; L436-C440 PolarHBondContact O-SG 3.13Å; L436-C440 VanDerWaalsContact O-SG 3.36Å; C440-R442 PolarHBondContact O-N 3.03Å; C440-R443 PolarHBondContact O-N 3.26Å; C440-L444 WeakPolarHBondContact O-CB 3.12Å; C440-L444 WeakPolarHBondContact O-CD1 3.35Å; C440-L444 WeakPolarHBondContact O-CG 3.15Å; C440-L444 PolarHBondContact O-N 3.21Å; C440-P782 HydrophobicContact CB-CB 4.3Å; C440-V783 HydrophobicContact CB-CG2 4.46Å; C440-Y786 HydrophobicContact CB-CD1 4.24Å; C440-Y786 HydrophobicContact CB-CG 4.25Å; C440-Y786 VanDerWaalsContact SG-CD1 3.59Å
441	H	95.4	Very high	94.8	Very high	88 Å²	88	49.7 Å²	49.7	41%	0.407	26%	0.264	S	S	.	.	H	α-helix	trans	-61.2	-43.9	174.4	-177.1	47	0	0	0	112.2	K437 F439 L444 C445 P782	K437-H441 WeakPolarHBondContact O-CB 3.4Å; K437-H441 PolarHBondContact O-N 3.04Å; F439-H441 VanDerWaalsContact C-N 3.3Å; F439-H441 PolarHBondContact O-N 3.45Å; H441-L444 PolarHBondContact O-N 3.06Å; H441-C445 PolarHBondContact CE1-SG 3.49Å; H441-C445 PolarHBondContact O-N 2.99Å; H441-C445 PolarHBondContact O-SG 3.24Å; H441-C445 VanDerWaalsContact O-SG 3.34Å; H441-P782 HydrophobicContact CB-CB 3.82Å; H441-P782 HydrophobicContact CB-CG 3.96Å
442	R	94.1	Very high	94.9	Very high	135 Å²	135	53.1 Å²	53.1	51%	0.509	28%	0.28	S	S	.	.	H	α-helix	trans	-62.2	-44.4	176.5	-172.2	179.7	179.4	117.2	-3.1	111.8	G301 S438 F439 C440 C445 Y446	G301-R442 PolarHBondContact O-NE 2.7Å; G301-R442 VanDerWaalsContact O-NE 3.12Å; G301-R442 PolarHBondContact O-NH1 2.96Å; G301-R442 PolarHBondContact O-NH2 3.38Å; S438-R442 WeakPolarHBondContact O-CB 3.33Å; S438-R442 PolarHBondContact O-N 3.04Å; F439-R442 WeakPolarHBondContact O-CB 3.38Å; F439-R442 PolarHBondContact O-N 2.88Å; C440-R442 PolarHBondContact O-N 3.03Å; R442-C445 PolarHBondContact O-N 3.06Å; R442-Y446 WeakPolarHBondContact O-CB 3.26Å; R442-Y446 PolarHBondContact O-N 2.88Å
443	R	94.7	Very high	95	Very high	14 Å²	14	47.9 Å²	47.9	5%	0.053	26%	0.255	C	S	.	.	H	α-helix	trans	-61.6	-43.9	175.5	-60.5	-45.3	-60.9	-176.5	-3.6	111.7	V299 S300 F439 C440 C445 Y446 L447 Y786 E917	V299-R443 PolarHBondContact O-NH1 3.48Å; S300-R443 PolarHBondContact O-NH1 2.86Å; F439-R443 HydrophobicContact CD1-CG 4.42Å; F439-R443 HydrophobicContact CD2-CG 4.31Å; F439-R443 HydrophobicContact CE1-CG 3.99Å; F439-R443 HydrophobicContact CE2-CG 3.86Å; F439-R443 HydrophobicContact CZ-CG 3.69Å; F439-R443 PolarHBondContact O-N 3.09Å; C440-R443 PolarHBondContact O-N 3.26Å; R443-C445 PolarHBondContact O-N 3.45Å; R443-Y446 WeakPolarHBondContact O-CB 3.46Å; R443-Y446 PolarHBondContact O-N 2.95Å; R443-Y446 VanDerWaalsContact O-N 3.17Å; R443-L447 WeakPolarHBondContact O-CG 3.37Å; R443-L447 PolarHBondContact O-N 3.06Å; R443-Y786 HydrophobicContact CB-CD2 4.16Å; R443-Y786 HydrophobicContact CB-CE2 3.62Å; R443-Y786 HydrophobicContact CG-CE2 4.28Å; R443-E917 IonicContact CZ-OE1 2.74Å; R443-E917 IonicContact CZ-OE2 2.95Å; R443-E917 VanDerWaalsContact CZ-OE2 3.28Å; R443-E917 IonicContact NE-OE2 3.79Å; R443-E917 PolarHBondContact NE-OE2 2.83Å; R443-E917 IonicContact NH2-OE1 3.72Å; R443-E917 PolarHBondContact NH2-OE1 2.67Å; R443-E917 IonicContact NH2-OE2 2.77Å; R443-E917 PolarHBondContact NH2-OE2 2.97Å
444	L	97.1	Very high	95.1	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-64.2	-38.5	177.1	-71.2	163.6	0	0	0	113.3	C440 H441 Y446 L447 H448 P782 Q785 Y786 K820	C440-L444 WeakPolarHBondContact O-CB 3.12Å; C440-L444 WeakPolarHBondContact O-CD1 3.35Å; C440-L444 WeakPolarHBondContact O-CG 3.15Å; C440-L444 PolarHBondContact O-N 3.21Å; H441-L444 PolarHBondContact O-N 3.06Å; L444-Y446 VanDerWaalsContact C-N 3.35Å; L444-L447 HydrophobicContact CD2-CD1 4.37Å; L444-L447 PolarHBondContact O-N 3.21Å; L444-H448 PolarHBondContact O-N 3.01Å; L444-H448 VanDerWaalsContact O-N 3.12Å; L444-P782 HydrophobicContact CD1-CB 4.12Å; L444-P782 VanDerWaalsContact CD1-O 3.23Å; L444-P782 WeakPolarHBondContact CD1-O 3.4Å; L444-Q785 HydrophobicContact CD1-CB 3.85Å; L444-Q785 HydrophobicContact CD1-CG 3.88Å; L444-Q785 HydrophobicContact CD2-CG 3.86Å; L444-Y786 HydrophobicContact CD2-CD2 4.14Å; L444-Y786 HydrophobicContact CG-CD2 4.13Å; L444-K820 HydrophobicContact CB-CD 4.36Å; L444-K820 HydrophobicContact CD2-CD 4.13Å; L444-K820 WeakPolarHBondContact O-CE 3.44Å
445	C	95.9	Very high	95.3	Very high	48 Å²	48	46.2 Å²	46.2	32%	0.324	24%	0.236	S	C	.	.	H	α-helix	trans	-67.5	-36	172.9	-71.1	0	0	0	0	112.1	H441 R442 R443 S449	H441-C445 PolarHBondContact CE1-SG 3.49Å; H441-C445 PolarHBondContact O-N 2.99Å; H441-C445 PolarHBondContact O-SG 3.24Å; H441-C445 VanDerWaalsContact O-SG 3.34Å; R442-C445 PolarHBondContact O-N 3.06Å; R443-C445 PolarHBondContact O-N 3.45Å; C445-S449 WeakPolarHBondContact O-CB 3.25Å; C445-S449 PolarHBondContact O-N 3.08Å; C445-S449 PolarHBondContact O-OG 2.82Å
446	Y	94.1	Very high	95.4	Very high	57 Å²	57	45.7 Å²	45.7	22%	0.224	23%	0.228	C	C	.	.	H	α-helix	trans	-63.5	-48.5	172.1	163.1	-114.4	0	0	0	111.4	I294 R442 R443 L444 H448 S449 K450 E917	I294-Y446 HydrophobicContact CD1-CD2 4.3Å; I294-Y446 HydrophobicContact CD1-CE2 3.46Å; I294-Y446 VanDerWaalsContact CD1-CE2 3.46Å; R442-Y446 WeakPolarHBondContact O-CB 3.26Å; R442-Y446 PolarHBondContact O-N 2.88Å; R443-Y446 WeakPolarHBondContact O-CB 3.46Å; R443-Y446 PolarHBondContact O-N 2.95Å; R443-Y446 VanDerWaalsContact O-N 3.17Å; L444-Y446 VanDerWaalsContact C-N 3.35Å; Y446-H448 PolarHBondContact O-N 3.24Å; Y446-S449 PolarHBondContact O-N 3.34Å; Y446-S449 VanDerWaalsContact O-N 3.15Å; Y446-K450 HydrophobicContact CD2-CB 4.48Å; Y446-K450 HydrophobicContact CE1-CD 4.39Å; Y446-K450 HydrophobicContact CE2-CB 4.08Å; Y446-K450 HydrophobicContact CE2-CD 4.27Å; Y446-K450 HydrophobicContact CE2-CG 4.24Å; Y446-K450 VanDerWaalsContact O-CB 3.3Å; Y446-K450 WeakPolarHBondContact O-CB 3.48Å; Y446-K450 PolarHBondContact O-N 3.4Å; Y446-K450 WeakPolarHBondContact OH-CD 3.41Å; Y446-K450 WeakPolarHBondContact OH-CE 3.43Å; Y446-E917 WeakPolarHBondContact CE1-OE1 3.37Å
447	L	96.5	Very high	95.4	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.01	24%	0.235	C	C	.	.	H	α-helix	trans	-55.9	-48.3	177.8	-72.7	170.3	0	0	0	112.2	R443 L444 K450 F451 Y786 Y789 T913 E917	R443-L447 WeakPolarHBondContact O-CG 3.37Å; R443-L447 PolarHBondContact O-N 3.06Å; L444-L447 HydrophobicContact CD2-CD1 4.37Å; L444-L447 PolarHBondContact O-N 3.21Å; L447-K450 PolarHBondContact O-N 3.26Å; L447-F451 PolarHBondContact O-N 2.86Å; L447-Y786 HydrophobicContact CD1-CD2 4.47Å; L447-Y786 HydrophobicContact CD1-CE2 4.26Å; L447-Y789 HydrophobicContact CD1-CD1 3.77Å; L447-Y789 HydrophobicContact CD1-CD2 4.25Å; L447-Y789 HydrophobicContact CD1-CE1 3.53Å; L447-Y789 HydrophobicContact CD1-CE2 4.03Å; L447-Y789 HydrophobicContact CD1-CG 4.13Å; L447-Y789 HydrophobicContact CD2-CE1 4.32Å; L447-Y789 HydrophobicContact CD2-CE2 4.43Å; L447-Y789 WeakPolarHBondContact CD2-OH 3.4Å; L447-T913 HydrophobicContact CD2-CG2 3.35Å; L447-E917 HydrophobicContact CD2-CG 3.86Å
448	H	97.2	Very high	95.4	Very high	57 Å²	57	42.1 Å²	42.1	26%	0.264	21%	0.214	S	C	.	.	H	α-helix	trans	-56.4	-52	174.3	-175.4	116.7	0	0	0	111.2	L444 Y446 K450 F451 Q452 D816 K820	L444-H448 PolarHBondContact O-N 3.01Å; L444-H448 VanDerWaalsContact O-N 3.12Å; Y446-H448 PolarHBondContact O-N 3.24Å; H448-K450 VanDerWaalsContact C-N 3.34Å; H448-K450 PolarHBondContact O-N 3.02Å; H448-F451 PolarHBondContact O-N 3.44Å; H448-Q452 WeakPolarHBondContact O-CG 3.42Å; H448-Q452 PolarHBondContact O-N 3.05Å; H448-Q452 VanDerWaalsContact O-N 3.07Å; H448-D816 IonicContact CE1-OD1 3.26Å; H448-D816 IonicContact CG-OD1 3.21Å; H448-D816 IonicContact ND1-OD1 2.8Å; H448-D816 PolarHBondContact ND1-OD1 3.44Å; H448-K820 HydrophobicContact CB-CG 4.05Å
449	S	95.5	Very high	95.4	Very high	72 Å²	72	40.7 Å²	40.7	50%	0.503	20%	0.2	S	C	.	.	H	α-helix	trans	-64.2	-37.6	-177.5	-55.5	0	0	0	0	112.6	C445 Y446 F451 Q452 L453	C445-S449 WeakPolarHBondContact O-CB 3.25Å; C445-S449 PolarHBondContact O-N 3.08Å; C445-S449 PolarHBondContact O-OG 2.82Å; Y446-S449 PolarHBondContact O-N 3.34Å; Y446-S449 VanDerWaalsContact O-N 3.15Å; S449-F451 VanDerWaalsContact C-N 3.34Å; S449-Q452 PolarHBondContact O-N 2.73Å; S449-L453 PolarHBondContact O-N 3.42Å
450	K	94.9	Very high	95.4	Very high	26 Å²	26	46.7 Å²	46.7	11%	0.113	23%	0.232	C	C	.	.	H	α-helix	trans	-64.1	-39.2	176.4	-164.3	-164.1	-172.2	-169	0	111.1	Y446 L447 H448 L453 H454 Y909 T913	Y446-K450 HydrophobicContact CD2-CB 4.48Å; Y446-K450 HydrophobicContact CE1-CD 4.39Å; Y446-K450 HydrophobicContact CE2-CB 4.08Å; Y446-K450 HydrophobicContact CE2-CD 4.27Å; Y446-K450 HydrophobicContact CE2-CG 4.24Å; Y446-K450 VanDerWaalsContact O-CB 3.3Å; Y446-K450 WeakPolarHBondContact O-CB 3.48Å; Y446-K450 PolarHBondContact O-N 3.4Å; Y446-K450 WeakPolarHBondContact OH-CD 3.41Å; Y446-K450 WeakPolarHBondContact OH-CE 3.43Å; L447-K450 PolarHBondContact O-N 3.26Å; H448-K450 VanDerWaalsContact C-N 3.34Å; H448-K450 PolarHBondContact O-N 3.02Å; K450-L453 PolarHBondContact O-N 3.42Å; K450-H454 WeakPolarHBondContact O-CB 3.32Å; K450-H454 PolarHBondContact O-N 3.23Å; K450-Y909 VanDerWaalsContact C-OH 3.28Å; K450-Y909 HydrophobicContact CD-CE2 4.05Å; K450-Y909 HydrophobicContact CG-CE2 4.11Å; K450-T913 HydrophobicContact CD-CG2 3.92Å; K450-T913 PolarHBondContact NZ-OG1 3.36Å
451	F	97.1	Very high	95.3	Very high	11 Å²	11	50.7 Å²	50.7	5%	0.048	25%	0.247	C	C	.	.	H	α-helix	trans	-69.2	-42.4	176.4	-178.6	-109.3	0	0	0	112	L447 H448 S449 L453 H454 I455 A819 Y909	L447-F451 PolarHBondContact O-N 2.86Å; H448-F451 PolarHBondContact O-N 3.44Å; S449-F451 VanDerWaalsContact C-N 3.34Å; F451-L453 VanDerWaalsContact C-N 3.27Å; F451-L453 PolarHBondContact O-N 2.85Å; F451-H454 WeakPolarHBondContact O-CB 3.21Å; F451-H454 PolarHBondContact O-N 3.08Å; F451-H454 VanDerWaalsContact O-N 3.12Å; F451-I455 HydrophobicContact CD1-CG1 4.25Å; F451-I455 HydrophobicContact CD2-CG1 4.4Å; F451-I455 HydrophobicContact CE1-CD1 4.3Å; F451-I455 HydrophobicContact CE1-CG1 3.9Å; F451-I455 HydrophobicContact CE2-CD1 3.91Å; F451-I455 HydrophobicContact CE2-CG1 4.05Å; F451-I455 HydrophobicContact CZ-CD1 3.72Å; F451-I455 HydrophobicContact CZ-CG1 3.8Å; F451-I455 WeakPolarHBondContact O-CG1 3.46Å; F451-I455 PolarHBondContact O-N 2.87Å; F451-A819 WeakPolarHBondContact CB-O 3.11Å; F451-A819 HydrophobicContact CD1-CB 3.86Å; F451-A819 HydrophobicContact CE1-CB 4.48Å; F451-Y909 VanDerWaalsContact CA-OH 3.31Å; F451-Y909 WeakPolarHBondContact CA-OH 3.43Å; F451-Y909 HydrophobicContact CB-CE1 4.29Å; F451-Y909 HydrophobicContact CD2-CD1 4.18Å; F451-Y909 AromaticContact CD2-CE1 3.63Å; F451-Y909 HydrophobicContact CD2-CE1 3.63Å; F451-Y909 HydrophobicContact CG-CE1 4.44Å; F451-Y909 PolarHBondContact N-OH 3.36Å
452	Q	96	Very high	95.3	Very high	91 Å²	91	46.5 Å²	46.5	43%	0.425	23%	0.227	S	C	.	.	H	α-helix	trans	-57.1	-42.1	173.5	-66.4	-61.1	-29.8	0	0	111.7	H448 S449 L456	H448-Q452 WeakPolarHBondContact O-CG 3.42Å; H448-Q452 PolarHBondContact O-N 3.05Å; H448-Q452 VanDerWaalsContact O-N 3.07Å; S449-Q452 PolarHBondContact O-N 2.73Å; Q452-L456 WeakPolarHBondContact O-CG 3.22Å; Q452-L456 PolarHBondContact O-N 3.46Å; Q452-L456 VanDerWaalsContact O-N 3.09Å
453	L	95.5	Very high	95.3	Very high	48 Å²	48	42.9 Å²	42.9	25%	0.251	22%	0.217	S	C	.	.	H	α-helix	trans	-69.5	-36.9	175.6	-174.1	56	0	0	0	112.7	V292 S449 K450 F451 L456 L457	V292-L453 HydrophobicContact CB-CD2 4.42Å; V292-L453 HydrophobicContact CG1-CD2 4.06Å; V292-L453 HydrophobicContact CG2-CD2 3.71Å; V292-L453 HydrophobicContact CG2-CG 3.97Å; S449-L453 PolarHBondContact O-N 3.42Å; K450-L453 PolarHBondContact O-N 3.42Å; F451-L453 VanDerWaalsContact C-N 3.27Å; F451-L453 PolarHBondContact O-N 2.85Å; L453-L456 PolarHBondContact O-N 2.95Å; L453-L457 HydrophobicContact CD1-CD1 4.03Å; L453-L457 HydrophobicContact CD1-CG 4.24Å; L453-L457 HydrophobicContact CG-CD1 3.96Å; L453-L457 WeakPolarHBondContact O-CB 3.46Å; L453-L457 WeakPolarHBondContact O-CD1 3.5Å; L453-L457 VanDerWaalsContact O-CG 3.23Å; L453-L457 WeakPolarHBondContact O-CG 3.43Å; L453-L457 PolarHBondContact O-N 2.98Å; L453-L457 VanDerWaalsContact O-N 3.17Å
454	H	95.8	Very high	95.2	Very high	6 Å²	6	46.7 Å²	46.7	3%	0.028	24%	0.242	C	C	.	.	H	α-helix	trans	-59.7	-47.1	172.6	170.3	79.3	0	0	0	111.9	Y289 K450 F451 L457 N458 E462 Y909	Y289-H454 AromaticContact CD2-CE1 3.95Å; Y289-H454 AromaticContact CD2-ND1 3.99Å; Y289-H454 AromaticContact CE2-CE1 3.99Å; Y289-H454 AromaticContact CE2-ND1 3.85Å; K450-H454 WeakPolarHBondContact O-CB 3.32Å; K450-H454 PolarHBondContact O-N 3.23Å; F451-H454 WeakPolarHBondContact O-CB 3.21Å; F451-H454 PolarHBondContact O-N 3.08Å; F451-H454 VanDerWaalsContact O-N 3.12Å; H454-L457 PolarHBondContact O-N 2.97Å; H454-N458 PolarHBondContact ND1-ND2 3.19Å; H454-N458 VanDerWaalsContact O-CB 3.31Å; H454-N458 WeakPolarHBondContact O-CB 3.28Å; H454-N458 PolarHBondContact O-N 3.35Å; H454-N458 PolarHBondContact O-ND2 2.98Å; H454-E462 IonicContact CD2-OE1 3.66Å; H454-E462 IonicContact CE1-OE1 3.94Å; H454-E462 IonicContact NE2-OE1 3.81Å; H454-E462 PolarHBondContact NE2-OE1 3.24Å; H454-Y909 HydrophobicContact CB-CD2 3.74Å; H454-Y909 HydrophobicContact CB-CE2 3.62Å; H454-Y909 HydrophobicContact CB-CG 4.3Å; H454-Y909 AromaticContact CD2-CG 3.97Å; H454-Y909 AromaticContact CE1-CG 3.82Å; H454-Y909 AromaticContact CG-CD2 3.51Å; H454-Y909 AromaticContact CG-CE2 3.92Å; H454-Y909 AromaticContact CG-CG 3.69Å; H454-Y909 AromaticContact ND1-CD2 3.4Å; H454-Y909 WeakPolarHBondContact ND1-CD2 3.35Å; H454-Y909 AromaticContact ND1-CG 3.61Å
455	I	96.2	Very high	94.9	Very high	38 Å²	38	48.4 Å²	48.4	20%	0.195	25%	0.25	C	C	.	.	H	α-helix	trans	-60.3	-48	177	-65.4	-61.4	0	0	0	110.5	F451 L457 N458 D459	F451-I455 HydrophobicContact CD1-CG1 4.25Å; F451-I455 HydrophobicContact CD2-CG1 4.4Å; F451-I455 HydrophobicContact CE1-CD1 4.3Å; F451-I455 HydrophobicContact CE1-CG1 3.9Å; F451-I455 HydrophobicContact CE2-CD1 3.91Å; F451-I455 HydrophobicContact CE2-CG1 4.05Å; F451-I455 HydrophobicContact CZ-CD1 3.72Å; F451-I455 HydrophobicContact CZ-CG1 3.8Å; F451-I455 WeakPolarHBondContact O-CG1 3.46Å; F451-I455 PolarHBondContact O-N 2.87Å; I455-L457 PolarHBondContact O-N 3.03Å; I455-L457 VanDerWaalsContact O-N 3.1Å; I455-N458 PolarHBondContact O-N 3.4Å; I455-D459 HydrophobicContact CG2-CB 4.15Å; I455-D459 WeakPolarHBondContact O-CB 3.37Å; I455-D459 PolarHBondContact O-N 3.22Å
456	L	94.6	Very high	94.8	Very high	79 Å²	79	46.8 Å²	46.8	41%	0.414	24%	0.238	S	C	.	.	H	α-helix	trans	-56.9	-26.9	177	-74.5	171.5	0	0	0	114.3	V135 L139 Q452 L453	V135-L456 HydrophobicContact CG1-CD1 4.35Å; V135-L456 HydrophobicContact CG1-CD2 4.11Å; L139-L456 HydrophobicContact CD1-CB 4.5Å; Q452-L456 WeakPolarHBondContact O-CG 3.22Å; Q452-L456 PolarHBondContact O-N 3.46Å; Q452-L456 VanDerWaalsContact O-N 3.09Å; L453-L456 PolarHBondContact O-N 2.95Å
457	L	94.1	Very high	94.6	Very high	27 Å²	27	52 Å²	52	14%	0.141	26%	0.261	C	S	.	.	H	α-helix	trans	-97.7	-29.7	-178.3	-66.9	170.9	0	0	0	113.5	L139 Q290 V292 L453 H454 I455	L139-L457 HydrophobicContact CD2-CD2 3.57Å; L139-L457 HydrophobicContact CD2-CG 4.5Å; Q290-L457 HydrophobicContact CB-CB 4.06Å; Q290-L457 PolarHBondContact OE1-O 3.36Å; V292-L457 HydrophobicContact CG2-CD1 3.62Å; L453-L457 HydrophobicContact CD1-CD1 4.03Å; L453-L457 HydrophobicContact CD1-CG 4.24Å; L453-L457 HydrophobicContact CG-CD1 3.96Å; L453-L457 WeakPolarHBondContact O-CB 3.46Å; L453-L457 WeakPolarHBondContact O-CD1 3.5Å; L453-L457 VanDerWaalsContact O-CG 3.23Å; L453-L457 WeakPolarHBondContact O-CG 3.43Å; L453-L457 PolarHBondContact O-N 2.98Å; L453-L457 VanDerWaalsContact O-N 3.17Å; H454-L457 PolarHBondContact O-N 2.97Å; I455-L457 PolarHBondContact O-N 3.03Å; I455-L457 VanDerWaalsContact O-N 3.1Å
458	N	95.6	Very high	94.2	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-126.8	-7.1	-163.9	-60.9	-62.5	0	0	0	116	Y289 Q290 H454 I455 L460 R461 E462 V905	Y289-N458 WeakPolarHBondContact CB-OD1 3.46Å; Q290-N458 WeakPolarHBondContact CB-OD1 3.42Å; Q290-N458 PolarHBondContact N-OD1 2.55Å; Q290-N458 PolarHBondContact O-ND2 3.36Å; H454-N458 PolarHBondContact ND1-ND2 3.19Å; H454-N458 VanDerWaalsContact O-CB 3.31Å; H454-N458 WeakPolarHBondContact O-CB 3.28Å; H454-N458 PolarHBondContact O-N 3.35Å; H454-N458 PolarHBondContact O-ND2 2.98Å; I455-N458 PolarHBondContact O-N 3.4Å; N458-L460 VanDerWaalsContact C-N 3.28Å; N458-L460 PolarHBondContact O-N 3.06Å; N458-R461 WeakPolarHBondContact O-CA 3.33Å; N458-R461 WeakPolarHBondContact O-CB 3.31Å; N458-R461 PolarHBondContact O-N 3.34Å; N458-E462 PolarHBondContact O-N 2.87Å; N458-V905 HydrophobicContact CB-CG1 4.26Å
459	D	93.1	Very high	93.8	Very high	48 Å²	48	54 Å²	54	26%	0.257	28%	0.281	S	S	.	.	H	α-helix	trans	-53.2	-41.6	-179.4	177.9	47.3	0	0	0	113.1	I455 R461 E462 M463	I455-D459 HydrophobicContact CG2-CB 4.15Å; I455-D459 WeakPolarHBondContact O-CB 3.37Å; I455-D459 PolarHBondContact O-N 3.22Å; D459-R461 VanDerWaalsContact C-N 3.3Å; D459-R461 PolarHBondContact O-N 2.97Å; D459-E462 PolarHBondContact O-N 3.09Å; D459-M463 WeakPolarHBondContact O-CB 3.44Å; D459-M463 PolarHBondContact O-N 2.94Å; D459-M463 WeakPolarHBondContact OD2-CE 3.46Å
460	L	93.5	Very high	93.1	Very high	134 Å²	134	54.7 Å²	54.7	70%	0.702	28%	0.284	S	S	*	.	H	α-helix	trans	-63.4	-31.6	174	-65.4	177.8	0	0	0	113.5	N458 M463 T464	N458-L460 VanDerWaalsContact C-N 3.28Å; N458-L460 PolarHBondContact O-N 3.06Å; L460-M463 HydrophobicContact CD2-CE 4.06Å; L460-T464 WeakPolarHBondContact O-CB 3.5Å; L460-T464 PolarHBondContact O-N 3.4Å; L460-T464 VanDerWaalsContact O-N 3.11Å; L460-T464 PolarHBondContact O-OG1 3.15Å
461	R	93.9	Very high	92.4	Very high	83 Å²	83	57.5 Å²	57.5	31%	0.313	30%	0.298	S	S	.	.	H	α-helix	trans	-75.3	-46.7	176.6	-60.3	-174.2	-175.7	-143.2	-0.1	110.5	N288 N458 D459 M463 T464 E465	N288-R461 VanDerWaalsContact C-NH1 3.34Å; N288-R461 PolarHBondContact O-NH1 2.95Å; N288-R461 PolarHBondContact OD1-NH1 2.77Å; N458-R461 WeakPolarHBondContact O-CA 3.33Å; N458-R461 WeakPolarHBondContact O-CB 3.31Å; N458-R461 PolarHBondContact O-N 3.34Å; D459-R461 VanDerWaalsContact C-N 3.3Å; D459-R461 PolarHBondContact O-N 2.97Å; R461-M463 PolarHBondContact O-N 3Å; R461-T464 PolarHBondContact O-N 2.87Å; R461-T464 VanDerWaalsContact O-N 3.09Å; R461-E465 PolarHBondContact O-N 2.92Å
462	E	95.4	Very high	91.7	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-54.1	-50.2	173.5	-74.7	-168.3	-177	0	0	111.2	H454 N458 D459 T464 E465 Q466 S857 P903 V905 R906	H454-E462 IonicContact CD2-OE1 3.66Å; H454-E462 IonicContact CE1-OE1 3.94Å; H454-E462 IonicContact NE2-OE1 3.81Å; H454-E462 PolarHBondContact NE2-OE1 3.24Å; N458-E462 PolarHBondContact O-N 2.87Å; D459-E462 PolarHBondContact O-N 3.09Å; E462-T464 VanDerWaalsContact C-N 3.33Å; E462-T464 PolarHBondContact O-N 2.85Å; E462-E465 WeakPolarHBondContact O-CB 3.2Å; E462-E465 PolarHBondContact O-N 3.44Å; E462-Q466 PolarHBondContact O-N 3.46Å; E462-S857 WeakPolarHBondContact OE2-CB 3.37Å; E462-S857 PolarHBondContact OE2-OG 2.88Å; E462-P903 HydrophobicContact CB-CB 4.23Å; E462-P903 HydrophobicContact CB-CG 3.88Å; E462-P903 HydrophobicContact CG-CB 4.09Å; E462-P903 HydrophobicContact CG-CG 4.18Å; E462-V905 HydrophobicContact CG-CB 4.14Å; E462-V905 HydrophobicContact CG-CG1 3.78Å; E462-R906 IonicContact OE1-CZ 3.23Å; E462-R906 IonicContact OE1-NE 3.85Å; E462-R906 PolarHBondContact OE1-NE 3.26Å; E462-R906 IonicContact OE1-NH2 2.91Å; E462-R906 IonicContact OE2-CZ 2.84Å; E462-R906 VanDerWaalsContact OE2-CZ 3.3Å; E462-R906 IonicContact OE2-NE 3.71Å; E462-R906 PolarHBondContact OE2-NE 3.41Å; E462-R906 VanDerWaalsContact OE2-NE 3.12Å; E462-R906 IonicContact OE2-NH2 3.23Å; E462-R906 PolarHBondContact OE2-NH2 2.97Å
463	M	93.9	Very high	91.4	Very high	60 Å²	60	56.2 Å²	56.2	30%	0.296	29%	0.293	S	S	.	.	H	α-helix	trans	-60.7	-37.1	174.9	-85.9	-167.5	-93	0	0	113.9	D459 L460 R461 E465 K467	D459-M463 WeakPolarHBondContact O-CB 3.44Å; D459-M463 PolarHBondContact O-N 2.94Å; D459-M463 WeakPolarHBondContact OD2-CE 3.46Å; L460-M463 HydrophobicContact CD2-CE 4.06Å; R461-M463 PolarHBondContact O-N 3Å; M463-E465 VanDerWaalsContact C-N 3.34Å; M463-K467 WeakPolarHBondContact O-CB 3.4Å; M463-K467 WeakPolarHBondContact O-CD 3.24Å; M463-K467 VanDerWaalsContact O-CG 3.23Å; M463-K467 WeakPolarHBondContact O-CG 3.4Å; M463-K467 PolarHBondContact O-N 3.07Å; M463-K467 VanDerWaalsContact O-N 3.08Å
464	T	92.7	Very high	91.3	Very high	94 Å²	94	54.3 Å²	54.3	58%	0.577	28%	0.283	S	S	*	.	H	α-helix	trans	-68.3	-38.5	178.3	-60.9	0	0	0	0	110.6	L460 R461 E462 K467 S468	L460-T464 WeakPolarHBondContact O-CB 3.5Å; L460-T464 PolarHBondContact O-N 3.4Å; L460-T464 VanDerWaalsContact O-N 3.11Å; L460-T464 PolarHBondContact O-OG1 3.15Å; R461-T464 PolarHBondContact O-N 2.87Å; R461-T464 VanDerWaalsContact O-N 3.09Å; E462-T464 VanDerWaalsContact C-N 3.33Å; E462-T464 PolarHBondContact O-N 2.85Å; T464-K467 PolarHBondContact O-N 3.23Å; T464-S468 PolarHBondContact O-N 2.81Å
465	E	91.8	Very high	91.1	Very high	35 Å²	35	61.2 Å²	61.2	16%	0.164	31%	0.31	C	S	.	.	H	α-helix	trans	-64.3	-49.8	176.4	-157.2	-173.7	146.6	0	0	111.4	R461 E462 M463 K467 S468 P903 D904 V905	R461-E465 PolarHBondContact O-N 2.92Å; E462-E465 WeakPolarHBondContact O-CB 3.2Å; E462-E465 PolarHBondContact O-N 3.44Å; M463-E465 VanDerWaalsContact C-N 3.34Å; E465-K467 VanDerWaalsContact C-N 3.32Å; E465-K467 PolarHBondContact O-N 2.95Å; E465-S468 WeakPolarHBondContact O-CB 3.4Å; E465-S468 PolarHBondContact O-N 2.67Å; E465-S468 PolarHBondContact O-OG 2.8Å; E465-P903 HydrophobicContact CB-CB 4.28Å; E465-P903 WeakPolarHBondContact OE2-CB 3.44Å; E465-D904 VanDerWaalsContact CD-N 3.34Å; E465-D904 WeakPolarHBondContact OE1-CB 3.36Å; E465-D904 PolarHBondContact OE1-N 2.72Å; E465-D904 PolarHBondContact OE2-N 2.82Å; E465-V905 WeakPolarHBondContact OE2-CG2 3.29Å; E465-V905 PolarHBondContact OE2-N 3.42Å
466	Q	92.6	Very high	90.8	Very high	14 Å²	14	60.7 Å²	60.7	7%	0.065	31%	0.307	C	S	.	.	H	α-helix	trans	-56.7	-45	174.9	-63.3	-167.3	-49.5	0	0	111.9	E462 S468 V469 N856 N901 P903	E462-Q466 PolarHBondContact O-N 3.46Å; Q466-S468 PolarHBondContact O-N 2.8Å; Q466-V469 PolarHBondContact O-N 1.97Å; Q466-V469 VanDerWaalsContact O-N 3.09Å; Q466-N856 PolarHBondContact NE2-ND2 2.98Å; Q466-N856 PolarHBondContact OE1-ND2 3.08Å; Q466-N901 PolarHBondContact NE2-O 3.04Å; Q466-P903 HydrophobicContact CG-CG 3.66Å
467	K	91	Very high	90.8	Very high	166 Å²	166	57.1 Å²	57.1	72%	0.722	29%	0.288	S	S	*	.	H	α-helix	trans	-66.1	-19.4	178	-73	170.6	-175.6	172.7	0	113.9	M463 T464 E465 V469	M463-K467 WeakPolarHBondContact O-CB 3.4Å; M463-K467 WeakPolarHBondContact O-CD 3.24Å; M463-K467 VanDerWaalsContact O-CG 3.23Å; M463-K467 WeakPolarHBondContact O-CG 3.4Å; M463-K467 PolarHBondContact O-N 3.07Å; M463-K467 VanDerWaalsContact O-N 3.08Å; T464-K467 PolarHBondContact O-N 3.23Å; E465-K467 VanDerWaalsContact C-N 3.32Å; E465-K467 PolarHBondContact O-N 2.95Å; K467-V469 VanDerWaalsContact C-N 3.3Å
468	S	88.7	Confident	90.8	Very high	85 Å²	85	56.2 Å²	56.2	59%	0.594	28%	0.283	S	S	*	.	H	α-helix	trans	-78	-16.6	174.8	79.2	0	0	0	0	113	T464 E465 Q466 P470	T464-S468 PolarHBondContact O-N 2.81Å; E465-S468 WeakPolarHBondContact O-CB 3.4Å; E465-S468 PolarHBondContact O-N 2.67Å; E465-S468 PolarHBondContact O-OG 2.8Å; Q466-S468 PolarHBondContact O-N 2.8Å; S468-P470 WeakPolarHBondContact O-CD 3.42Å
469	V	87.3	Confident	90.9	Very high	16 Å²	16	56.3 Å²	56.3	10%	0.097	28%	0.284	C	S	.	.	S	Bend	trans	-87.2	112.1	177.5	-175.3	0	0	0	0	110.2	Q466 K467 R472 V897 A898	Q466-V469 PolarHBondContact O-N 1.97Å; Q466-V469 VanDerWaalsContact O-N 3.09Å; K467-V469 VanDerWaalsContact C-N 3.3Å; V469-R472 HydrophobicContact CG1-CB 3.76Å; V469-R472 HydrophobicContact CG1-CG 4Å; V469-V897 HydrophobicContact CG2-CB 4.37Å; V469-V897 HydrophobicContact CG2-CG1 3.83Å; V469-V897 HydrophobicContact CG2-CG2 3.87Å; V469-A898 HydrophobicContact CG1-CB 4.23Å
470	P	82.3	Confident	91.1	Very high	87 Å²	87	54 Å²	54	57%	0.565	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	145.9	177.8	32	-35.6	0	0	0	111.1	S468 R472	S468-P470 WeakPolarHBondContact O-CD 3.42Å; P470-R472 PolarHBondContact O-N 2.82Å; P470-R472 VanDerWaalsContact O-N 3.12Å
471	H	78.4	Confident	91.4	Very high	86 Å²	86	48 Å²	48	40%	0.398	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	12.4	173.8	-44.2	-71.9	0	0	0	116.7	I224 N476	I224-H471 HydrophobicContact CG2-CB 3.88Å; H471-N476 PolarHBondContact O-ND2 2.77Å; H471-N476 VanDerWaalsContact O-ND2 3.16Å
472	R	84.3	Confident	91.5	Very high	13 Å²	13	44.3 Å²	44.3	5%	0.049	23%	0.227	C	C	.	.			trans	-122.3	129.8	172.2	-67.2	-71	177.8	-96.6	-0.6	111.6	E228 V469 P470 A898 N901	E228-R472 IonicContact OE1-CZ 3.92Å; E228-R472 IonicContact OE1-NH1 3.29Å; E228-R472 PolarHBondContact OE1-NH1 2.75Å; E228-R472 IonicContact OE1-NH2 3.86Å; E228-R472 PolarHBondContact OE1-NH2 2.84Å; E228-R472 IonicContact OE2-CZ 2.75Å; E228-R472 IonicContact OE2-NH1 3.33Å; E228-R472 IonicContact OE2-NH2 3.63Å; E228-R472 PolarHBondContact OE2-NH2 3.12Å; V469-R472 HydrophobicContact CG1-CB 3.76Å; V469-R472 HydrophobicContact CG1-CG 4Å; P470-R472 PolarHBondContact O-N 2.82Å; P470-R472 VanDerWaalsContact O-N 3.12Å; R472-A898 VanDerWaalsContact CG-O 3.31Å; R472-A898 WeakPolarHBondContact CG-O 3.44Å; R472-A898 PolarHBondContact NE-O 2.93Å; R472-A898 VanDerWaalsContact NE-O 3.09Å; R472-N901 HydrophobicContact CB-CB 4.39Å
473	D	89.7	Confident	91.7	Very high	61 Å²	61	44.3 Å²	44.3	33%	0.326	23%	0.227	S	C	.	.	S	Bend	trans	-145.9	-176	175.3	63.2	4.1	0	0	0	107.9	Y475 N476 I477 N901	D473-Y475 PolarHBondContact O-N 2.86Å; D473-Y475 WeakPolarHBondContact OD1-CA 3.44Å; D473-Y475 WeakPolarHBondContact OD1-CB 3.35Å; D473-Y475 PolarHBondContact OD1-N 3.21Å; D473-N476 PolarHBondContact O-N 2.73Å; D473-N476 PolarHBondContact OD1-N 3.2Å; D473-I477 WeakPolarHBondContact O-CG2 3.4Å; D473-I477 PolarHBondContact O-N 3.25Å; D473-N901 WeakPolarHBondContact CA-ND2 3.23Å
474	F	93.2	Very high	91.9	Very high	9 Å²	9	41.5 Å²	41.5	4%	0.039	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-30.9	175.9	172.8	-109.8	0	0	0	113.3	I477 K479 M842 Y845 N856 M859 S863	F474-I477 HydrophobicContact CD2-CD1 4.26Å; F474-I477 VanDerWaalsContact O-CG1 3.28Å; F474-I477 WeakPolarHBondContact O-CG1 3.33Å; F474-K479 HydrophobicContact CE2-CD 3.97Å; F474-K479 HydrophobicContact CZ-CD 3.89Å; F474-K479 WeakPolarHBondContact O-CE 3.29Å; F474-K479 PolarHBondContact O-NZ 2.92Å; F474-M842 HydrophobicContact CD1-CE 4.28Å; F474-M842 HydrophobicContact CE1-CE 3.55Å; F474-M842 HydrophobicContact CE1-SD 4.1Å; F474-M842 HydrophobicContact CZ-CE 4.25Å; F474-M842 HydrophobicContact CZ-SD 4.2Å; F474-Y845 HydrophobicContact CE1-CG 4.48Å; F474-Y845 AromaticContact CE2-CD1 3.66Å; F474-Y845 HydrophobicContact CE2-CD1 3.66Å; F474-Y845 AromaticContact CE2-CE1 3.94Å; F474-Y845 HydrophobicContact CE2-CE1 3.94Å; F474-Y845 HydrophobicContact CE2-CG 4.04Å; F474-Y845 AromaticContact CZ-CD1 3.54Å; F474-Y845 HydrophobicContact CZ-CD1 3.54Å; F474-Y845 HydrophobicContact CZ-CD2 4.04Å; F474-Y845 HydrophobicContact CZ-CE1 4.22Å; F474-Y845 AromaticContact CZ-CG 3.46Å; F474-Y845 HydrophobicContact CZ-CG 3.46Å; F474-Y845 VanDerWaalsContact CZ-CG 3.46Å; F474-N856 VanDerWaalsContact CB-OD1 3.29Å; F474-N856 WeakPolarHBondContact CB-OD1 3.32Å; F474-M859 HydrophobicContact CB-CE 4.39Å; F474-M859 HydrophobicContact CD1-CE 4.36Å; F474-M859 HydrophobicContact CD1-SD 4.29Å; F474-M859 HydrophobicContact CD2-CB 3.59Å; F474-M859 HydrophobicContact CE1-SD 4.32Å; F474-M859 HydrophobicContact CE2-CB 3.74Å; F474-M859 HydrophobicContact CG-CB 4.24Å; F474-M859 HydrophobicContact CG-CE 4.22Å; F474-M859 HydrophobicContact CG-SD 4.41Å; F474-M859 HydrophobicContact CZ-CB 4.48Å; F474-M859 HydrophobicContact CZ-SD 4.48Å; F474-S863 WeakPolarHBondContact CE2-OG 3.14Å
475	Y	90.3	Very high	92	Very high	150 Å²	150	37.6 Å²	37.6	59%	0.588	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-44.2	-179.9	-66.2	-79.5	0	0	0	112	D473 I477 K479 Y599 M842	D473-Y475 PolarHBondContact O-N 2.86Å; D473-Y475 WeakPolarHBondContact OD1-CA 3.44Å; D473-Y475 WeakPolarHBondContact OD1-CB 3.35Å; D473-Y475 PolarHBondContact OD1-N 3.21Å; Y475-I477 PolarHBondContact O-N 3.28Å; Y475-K479 PolarHBondContact O-NZ 2.96Å; Y475-K479 VanDerWaalsContact O-NZ 3.08Å; Y475-Y599 WeakPolarHBondContact O-CD2 3.44Å; Y475-M842 HydrophobicContact CD1-CE 3.75Å; Y475-M842 HydrophobicContact CE1-CE 3.71Å
476	N	91	Very high	92.2	Very high	28 Å²	28	36 Å²	36	15%	0.15	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-5	-173.8	-67.1	-18.9	0	0	0	115	H471 D473 R478 Y599	H471-N476 PolarHBondContact O-ND2 2.77Å; H471-N476 VanDerWaalsContact O-ND2 3.16Å; D473-N476 PolarHBondContact O-N 2.73Å; D473-N476 PolarHBondContact OD1-N 3.2Å; N476-R478 PolarHBondContact O-NH1 3.48Å; N476-Y599 HydrophobicContact CB-CE2 4.2Å; N476-Y599 VanDerWaalsContact O-CD1 3.32Å; N476-Y599 WeakPolarHBondContact O-CD1 3.49Å; N476-Y599 VanDerWaalsContact O-CE1 3.27Å; N476-Y599 WeakPolarHBondContact O-CE1 3.22Å; N476-Y599 WeakPolarHBondContact OD1-CE2 3.46Å
477	I	93.8	Very high	92.1	Very high	3 Å²	3	36.6 Å²	36.6	2%	0.015	19%	0.188	C	C	.	.	S	Bend	trans	-84.8	152.2	169.7	62.8	160.6	0	0	0	111.9	D473 F474 Y475 K479 C860 R899 N901	D473-I477 WeakPolarHBondContact O-CG2 3.4Å; D473-I477 PolarHBondContact O-N 3.25Å; F474-I477 HydrophobicContact CD2-CD1 4.26Å; F474-I477 VanDerWaalsContact O-CG1 3.28Å; F474-I477 WeakPolarHBondContact O-CG1 3.33Å; Y475-I477 PolarHBondContact O-N 3.28Å; I477-K479 PolarHBondContact O-NZ 2.57Å; I477-C860 HydrophobicContact CD1-CB 3.76Å; I477-C860 VanDerWaalsContact CD1-SG 3.57Å; I477-R899 WeakPolarHBondContact CG2-O 3.2Å; I477-N901 HydrophobicContact CG2-CB 3.67Å
478	R	94.9	Very high	92.1	Very high	8 Å²	8	28.7 Å²	28.7	3%	0.03	15%	0.154	C	C	.	.			trans	-81	138.7	-173.8	-68.6	63.3	163.7	155.7	-7.9	109.3	Y365 H366 N476 Y599 V867 W882	Y365-R478 PolarHBondContact O-NH2 3.28Å; H366-R478 PolarHBondContact CE1-NH2 3.37Å; H366-R478 PolarHBondContact NE2-NH2 2.83Å; H366-R478 VanDerWaalsContact NE2-NH2 3.16Å; N476-R478 PolarHBondContact O-NH1 3.48Å; R478-Y599 WeakPolarHBondContact CA-O 3.26Å; R478-Y599 HydrophobicContact CG-CD1 4.44Å; R478-Y599 VanDerWaalsContact NH1-CE1 3.32Å; R478-V867 HydrophobicContact CB-CG2 4.24Å; R478-V867 WeakPolarHBondContact O-CG2 3.47Å; R478-W882 HydrophobicContact CB-CB 4.28Å; R478-W882 HydrophobicContact CB-CD2 4.43Å; R478-W882 HydrophobicContact CB-CG 4.24Å; R478-W882 HydrophobicContact CG-CB 4.1Å; R478-W882 HydrophobicContact CG-CD2 4.19Å; R478-W882 HydrophobicContact CG-CG 3.77Å
479	K	96.8	Very high	92.3	Very high	2 Å²	2	25 Å²	25	1%	0.009	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	131.8	-177.1	-54.6	172.5	-161.6	67.2	0	107.3	F474 Y475 I477 Y599 H601 L841 M842 Y845	F474-K479 HydrophobicContact CE2-CD 3.97Å; F474-K479 HydrophobicContact CZ-CD 3.89Å; F474-K479 WeakPolarHBondContact O-CE 3.29Å; F474-K479 PolarHBondContact O-NZ 2.92Å; Y475-K479 PolarHBondContact O-NZ 2.96Å; Y475-K479 VanDerWaalsContact O-NZ 3.08Å; I477-K479 PolarHBondContact O-NZ 2.57Å; K479-Y599 PolarHBondContact N-O 3.19Å; K479-H601 PolarHBondContact O-N 2.88Å; K479-L841 HydrophobicContact CB-CD2 3.85Å; K479-M842 HydrophobicContact CD-SD 3.66Å; K479-Y845 HydrophobicContact CD-CD2 4.5Å; K479-Y845 HydrophobicContact CD-CE2 4.34Å
480	V	98	Very high	92.6	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.006	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	126.3	173.7	-174.5	0	0	0	0	107.7	T482 H601 E603 V867 F872	V480-T482 HydrophobicContact CB-CG2 4.37Å; V480-T482 HydrophobicContact CG1-CG2 4.19Å; V480-T482 PolarHBondContact O-N 3.12Å; V480-H601 CarbonylContact C-O 3.5Å; V480-H601 WeakPolarHBondContact CA-O 3.42Å; V480-H601 HydrophobicContact CG1-CB 4.5Å; V480-H601 HydrophobicContact CG2-CB 4.07Å; V480-E603 HydrophobicContact CG1-CG 3.92Å; V480-V867 HydrophobicContact CG2-CB 4.46Å; V480-V867 HydrophobicContact CG2-CG2 4.05Å; V480-F872 HydrophobicContact CG1-CD2 4.26Å; V480-F872 HydrophobicContact CG1-CE2 3.82Å; V480-F872 HydrophobicContact CG2-CD2 4.21Å; V480-F872 HydrophobicContact CG2-CE2 4.26Å
481	D	98.5	Very high	93	Very high	8 Å²	8	21.1 Å²	21.1	4%	0.043	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	100.1	161.3	-165.5	-20.4	0	0	0	108.5	H483 V484 H601 A602 E603 S827 T828 L841	D481-H483 PolarHBondContact O-N 2.97Å; D481-H483 VanDerWaalsContact OD1-C 3.29Å; D481-H483 PolarHBondContact OD1-N 3.22Å; D481-V484 HydrophobicContact CB-CG1 4Å; D481-H601 PolarHBondContact N-O 3.34Å; D481-A602 HydrophobicContact CB-CB 4.32Å; D481-E603 PolarHBondContact O-N 2.87Å; D481-S827 VanDerWaalsContact OD1-CA 3.23Å; D481-S827 WeakPolarHBondContact OD1-CA 3.31Å; D481-S827 WeakPolarHBondContact OD1-CB 3.45Å; D481-T828 PolarHBondContact OD1-N 3.49Å; D481-T828 VanDerWaalsContact OD2-CB 3.24Å; D481-T828 WeakPolarHBondContact OD2-CB 3.45Å; D481-T828 WeakPolarHBondContact OD2-CG2 3.36Å; D481-T828 PolarHBondContact OD2-N 2.89Å; D481-T828 PolarHBondContact OD2-OG1 3.48Å; D481-L841 HydrophobicContact CB-CD1 4.12Å; D481-L841 HydrophobicContact CB-CD2 4.1Å
482	T	97.9	Very high	93.5	Very high	4 Å²	4	17.4 Å²	17.4	3%	0.025	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	-4.4	-178.5	47.9	0	0	0	0	112.9	V480 R605 A796 S825 G866 Q869	V480-T482 HydrophobicContact CB-CG2 4.37Å; V480-T482 HydrophobicContact CG1-CG2 4.19Å; V480-T482 PolarHBondContact O-N 3.12Å; T482-R605 PolarHBondContact O-NH2 3.27Å; T482-A796 WeakPolarHBondContact OG1-CB 3.22Å; T482-S825 PolarHBondContact OG1-OG 3.03Å; T482-S825 VanDerWaalsContact OG1-OG 3.06Å; T482-G866 WeakPolarHBondContact CG2-O 3.4Å; T482-Q869 HydrophobicContact CG2-CB 4.3Å
483	H	98.3	Very high	93.8	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	91.1	-178.8	-178.1	-81.4	0	0	0	112.6	D481 R605 H752 A773 H774 A796 S827 T828 D829	D481-H483 PolarHBondContact O-N 2.97Å; D481-H483 VanDerWaalsContact OD1-C 3.29Å; D481-H483 PolarHBondContact OD1-N 3.22Å; H483-R605 VanDerWaalsContact C-NH1 3.3Å; H483-R605 PolarHBondContact CD2-NH1 2.86Å; H483-R605 PolarHBondContact CD2-NH2 2.76Å; H483-R605 PolarHBondContact NE2-NH1 2.73Å; H483-H752 AromaticContact CD2-CE1 3.94Å; H483-H752 AromaticContact CE1-CE1 3.82Å; H483-H752 AromaticContact CE1-NE2 3.63Å; H483-H752 AromaticContact NE2-CD2 3.7Å; H483-H752 AromaticContact NE2-CE1 3.02Å; H483-H752 PolarHBondContact NE2-CE1 3.36Å; H483-H752 AromaticContact NE2-CG 3.85Å; H483-H752 AromaticContact NE2-ND1 3.44Å; H483-H752 PolarHBondContact NE2-ND1 2.7Å; H483-H752 AromaticContact NE2-NE2 3.23Å; H483-H752 PolarHBondContact NE2-NE2 3.32Å; H483-A773 WeakPolarHBondContact CD2-CB 3.35Å; H483-A773 WeakPolarHBondContact NE2-CB 3.46Å; H483-H774 AromaticContact CE1-CE1 3.53Å; H483-H774 AromaticContact CE1-NE2 3.44Å; H483-H774 PolarHBondContact CE1-NE2 3.08Å; H483-H774 AromaticContact NE2-NE2 3.54Å; H483-A796 HydrophobicContact CB-CB 3.75Å; H483-S827 WeakPolarHBondContact CB-OG 3.32Å; H483-T828 PolarHBondContact O-N 3.45Å; H483-D829 IonicContact CE1-OD1 3.69Å; H483-D829 PolarHBondContact CE1-OD1 3.38Å; H483-D829 IonicContact ND1-OD1 3.8Å; H483-D829 WeakPolarHBondContact O-CA 3.49Å; H483-D829 PolarHBondContact O-N 3.33Å
484	V	97.5	Very high	94	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.012	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	135.5	176.1	46.1	0	0	0	0	111.4	D481 A602 F604 R605 D829 P831	D481-V484 HydrophobicContact CB-CG1 4Å; V484-A602 HydrophobicContact CG1-CB 4.16Å; V484-F604 HydrophobicContact CB-CD1 4.35Å; V484-F604 HydrophobicContact CG1-CD1 3.58Å; V484-F604 HydrophobicContact CG1-CE1 3.91Å; V484-F604 HydrophobicContact CG2-CD1 3.92Å; V484-F604 HydrophobicContact CG2-CE1 3.95Å; V484-F604 WeakPolarHBondContact O-CA 3.49Å; V484-R605 VanDerWaalsContact N-NH1 3.1Å; V484-R605 PolarHBondContact O-N 2.83Å; V484-D829 WeakPolarHBondContact CA-O 3.32Å; V484-P831 HydrophobicContact CG2-CG 4.11Å
485	H	95.9	Very high	94	Very high	12 Å²	12	21.5 Å²	21.5	6%	0.056	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	135.2	175.9	-61.3	-79.3	0	0	0	111.4	A487 S488 S489 R605 Q638 V692 H752 D829 D830	H485-A487 VanDerWaalsContact C-N 3.32Å; H485-A487 PolarHBondContact O-N 3.33Å; H485-S488 WeakPolarHBondContact CB-OG 3.15Å; H485-S488 PolarHBondContact O-N 3.29Å; H485-S488 PolarHBondContact O-OG 3.31Å; H485-S489 PolarHBondContact O-N 3.47Å; H485-S489 VanDerWaalsContact O-N 3.07Å; H485-R605 WeakPolarHBondContact CE1-CB 3.44Å; H485-R605 VanDerWaalsContact CE1-CD 3.4Å; H485-R605 WeakPolarHBondContact CE1-CD 3.45Å; H485-Q638 PolarHBondContact CE1-NE2 3.05Å; H485-Q638 PolarHBondContact CE1-OE1 2.91Å; H485-Q638 PolarHBondContact ND1-OE1 2.89Å; H485-Q638 PolarHBondContact NE2-OE1 3.18Å; H485-V692 WeakPolarHBondContact NE2-CG1 3.4Å; H485-H752 AromaticContact NE2-CD2 3.91Å; H485-H752 AromaticContact NE2-CE1 2.8Å; H485-H752 PolarHBondContact NE2-CE1 2.79Å; H485-H752 AromaticContact NE2-ND1 3.98Å; H485-H752 AromaticContact NE2-NE2 2.67Å; H485-H752 PolarHBondContact NE2-NE2 3.43Å; H485-D829 IonicContact CD2-OD1 3.83Å; H485-D829 PolarHBondContact CD2-OD1 2.92Å; H485-D829 VanDerWaalsContact CD2-OD1 3.23Å; H485-D829 PolarHBondContact N-O 3Å; H485-D830 IonicContact CD2-OD1 3.61Å
486	A	95.5	Very high	94	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.008	8%	0.077	C	C	.	.	G	3₁₀ helix	trans	-61.4	-42	-176.4	0	0	0	0	0	112.1	S488 S489 F583 L587 F604 R605 L606 W635	A486-S488 PolarHBondContact O-N 3.07Å; A486-S489 WeakPolarHBondContact O-CB 3.23Å; A486-S489 PolarHBondContact O-N 3.42Å; A486-S489 PolarHBondContact O-OG 2.68Å; A486-F583 HydrophobicContact CB-CZ 4.06Å; A486-L587 HydrophobicContact CB-CD2 4.38Å; A486-F604 HydrophobicContact CB-CB 4.06Å; A486-R605 WeakPolarHBondContact CB-O 3.3Å; A486-R605 PolarHBondContact N-O 3.27Å; A486-L606 HydrophobicContact CB-CD2 3.72Å; A486-L606 HydrophobicContact CB-CG 4.25Å; A486-W635 HydrophobicContact CB-CZ3 4.16Å
487	A	90.2	Very high	94.1	Very high	26 Å²	26	20.3 Å²	20.3	22%	0.215	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-61.8	-25.3	-177	0	0	0	0	0	113.8	H485 M490 M572 F583	H485-A487 VanDerWaalsContact C-N 3.32Å; H485-A487 PolarHBondContact O-N 3.33Å; A487-M490 WeakPolarHBondContact O-CE 3.27Å; A487-M572 WeakPolarHBondContact O-CE 3.35Å; A487-F583 HydrophobicContact CB-CZ 4.36Å
488	S	90.9	Very high	94.1	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-118.1	10.9	-177.1	53.9	0	0	0	0	113	H485 A486 M490 D830 P831 L832	H485-S488 WeakPolarHBondContact CB-OG 3.15Å; H485-S488 PolarHBondContact O-N 3.29Å; H485-S488 PolarHBondContact O-OG 3.31Å; A486-S488 PolarHBondContact O-N 3.07Å; S488-M490 PolarHBondContact O-N 2.05Å; S488-M490 VanDerWaalsContact O-N 3.17Å; S488-D830 WeakPolarHBondContact CB-OD1 3.47Å; S488-D830 PolarHBondContact OG-OD1 2.96Å; S488-P831 WeakPolarHBondContact O-CB 3.41Å; S488-P831 VanDerWaalsContact O-CD 3.26Å; S488-P831 WeakPolarHBondContact O-CD 3.2Å; S488-L832 WeakPolarHBondContact O-CB 3.49Å; S488-L832 PolarHBondContact O-N 2.86Å
489	S	94	Very high	94	Very high	7 Å²	7	20.1 Å²	20.1	5%	0.049	9%	0.093	C	C	.	.			trans	-63.4	-20	-177	59.2	0	0	0	0	114.7	H485 A486 L587 F604 P831	H485-S489 PolarHBondContact O-N 3.47Å; H485-S489 VanDerWaalsContact O-N 3.07Å; A486-S489 WeakPolarHBondContact O-CB 3.23Å; A486-S489 PolarHBondContact O-N 3.42Å; A486-S489 PolarHBondContact O-OG 2.68Å; S489-L587 WeakPolarHBondContact OG-CD2 3.33Å; S489-F604 VanDerWaalsContact CB-CE1 3.47Å; S489-P831 WeakPolarHBondContact O-CB 3.11Å
490	M	93	Very high	93.8	Very high	3 Å²	3	23.2 Å²	23.2	2%	0.015	11%	0.107	C	C	.	.	S	Bend	trans	-94.6	144.2	174.7	57.6	-82.4	-174.7	0	0	112.5	A487 S488 H494 L495 M572 I586 V590 L832	A487-M490 WeakPolarHBondContact O-CE 3.27Å; S488-M490 PolarHBondContact O-N 2.05Å; S488-M490 VanDerWaalsContact O-N 3.17Å; M490-H494 HydrophobicContact CB-CB 4.19Å; M490-L495 HydrophobicContact CE-CD1 4.09Å; M490-L495 HydrophobicContact CG-CB 4.26Å; M490-M572 HydrophobicContact CE-CG 4.02Å; M490-I586 HydrophobicContact CB-CD1 4.38Å; M490-I586 HydrophobicContact CE-CD1 4.15Å; M490-I586 HydrophobicContact CE-CG2 4.23Å; M490-I586 HydrophobicContact CG-CD1 3.75Å; M490-I586 HydrophobicContact CG-CG1 4.34Å; M490-I586 HydrophobicContact SD-CD1 4.15Å; M490-I586 HydrophobicContact SD-CG1 4.43Å; M490-I586 HydrophobicContact SD-CG2 4.35Å; M490-V590 HydrophobicContact CB-CG2 3.75Å; M490-L832 WeakPolarHBondContact O-CA 3.24Å; M490-L832 VanDerWaalsContact O-CB 3.24Å; M490-L832 WeakPolarHBondContact O-CB 3.37Å; M490-L832 WeakPolarHBondContact O-CD1 3.4Å; M490-L832 PolarHBondContact O-N 2.87Å
491	N	91	Very high	93.6	Very high	20 Å²	20	27 Å²	27	11%	0.107	12%	0.124	C	C	.	.			trans	-70.5	165.4	170	71.8	50.8	0	0	0	112.6	K493 H494 L495 T837	N491-K493 VanDerWaalsContact C-N 3.32Å; N491-K493 PolarHBondContact O-N 3.49Å; N491-K493 WeakPolarHBondContact OD1-CB 3.4Å; N491-K493 PolarHBondContact OD1-N 2.82Å; N491-K493 VanDerWaalsContact OD1-N 3.11Å; N491-H494 WeakPolarHBondContact O-CB 3.43Å; N491-H494 PolarHBondContact O-N 2.84Å; N491-H494 VanDerWaalsContact O-N 3.13Å; N491-H494 PolarHBondContact OD1-N 2.89Å; N491-L495 PolarHBondContact O-N 3Å; N491-T837 PolarHBondContact ND2-O 2.91Å
492	Q	88.9	Confident	93.4	Very high	8 Å²	8	27 Å²	27	4%	0.037	12%	0.123	C	C	.	.	H	α-helix	trans	-61.4	-37.1	-174.6	-53.6	173.9	2	0	0	113.1	L496 V537 V542 H543 L832	Q492-L496 VanDerWaalsContact O-CB 3.25Å; Q492-L496 WeakPolarHBondContact O-CB 3.46Å; Q492-L496 PolarHBondContact O-N 3.36Å; Q492-V537 HydrophobicContact CB-CG1 3.88Å; Q492-V542 HydrophobicContact CB-CG2 4.21Å; Q492-V542 HydrophobicContact CG-CG2 3.68Å; Q492-H543 VanDerWaalsContact NE2-CA 3.29Å; Q492-H543 PolarHBondContact NE2-CD2 2.96Å; Q492-H543 PolarHBondContact OE1-CD2 3.3Å; Q492-L832 HydrophobicContact CB-CD1 4.45Å; Q492-L832 HydrophobicContact CG-CD1 4.02Å; Q492-L832 WeakPolarHBondContact CG-O 3.32Å; Q492-L832 PolarHBondContact NE2-O 2.72Å
493	K	91.3	Very high	93.1	Very high	159 Å²	159	27 Å²	27	69%	0.691	12%	0.123	S	C	*	.	H	α-helix	trans	-68.8	-35.1	178.8	-176.4	179.3	179.5	180	0	111.6	N491 R497	N491-K493 VanDerWaalsContact C-N 3.32Å; N491-K493 PolarHBondContact O-N 3.49Å; N491-K493 WeakPolarHBondContact OD1-CB 3.4Å; N491-K493 PolarHBondContact OD1-N 2.82Å; N491-K493 VanDerWaalsContact OD1-N 3.11Å; K493-R497 VanDerWaalsContact O-CB 3.26Å; K493-R497 WeakPolarHBondContact O-CB 3.15Å; K493-R497 PolarHBondContact O-N 3.35Å
494	H	93.6	Very high	92.8	Very high	8 Å²	8	36.9 Å²	36.9	4%	0.037	16%	0.16	C	C	.	.	H	α-helix	trans	-68.1	-51.4	174.4	-165.7	150.1	0	0	0	110.4	M490 N491 L496 R497 F498 E589 D593	M490-H494 HydrophobicContact CB-CB 4.19Å; N491-H494 WeakPolarHBondContact O-CB 3.43Å; N491-H494 PolarHBondContact O-N 2.84Å; N491-H494 VanDerWaalsContact O-N 3.13Å; N491-H494 PolarHBondContact OD1-N 2.89Å; H494-L496 VanDerWaalsContact C-N 3.34Å; H494-L496 PolarHBondContact O-N 3.09Å; H494-R497 PolarHBondContact CD2-NH2 3.45Å; H494-R497 PolarHBondContact CE1-NH2 3.05Å; H494-R497 PolarHBondContact NE2-NH2 3.37Å; H494-R497 WeakPolarHBondContact O-CB 3.14Å; H494-R497 PolarHBondContact O-N 2.88Å; H494-F498 WeakPolarHBondContact O-CB 3.31Å; H494-F498 PolarHBondContact O-N 3.37Å; H494-E589 IonicContact CD2-OE2 3.48Å; H494-E589 IonicContact CE1-OE2 2.79Å; H494-E589 WeakPolarHBondContact NE2-CB 3.41Å; H494-E589 IonicContact NE2-OE2 3.59Å; H494-E589 PolarHBondContact NE2-OE2 3.24Å; H494-D593 IonicContact CE1-OD2 3.63Å; H494-D593 IonicContact ND1-OD2 3.52Å
495	L	92.1	Very high	92.6	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	19%	0.185	C	C	.	.	H	α-helix	trans	-56	-48.3	176	179.8	59.7	0	0	0	111.2	M490 N491 R497 F498 V499 M572 I586 L832	M490-L495 HydrophobicContact CE-CD1 4.09Å; M490-L495 HydrophobicContact CG-CB 4.26Å; N491-L495 PolarHBondContact O-N 3Å; L495-R497 PolarHBondContact O-N 3.17Å; L495-F498 PolarHBondContact O-N 2.91Å; L495-V499 HydrophobicContact CD1-CG2 4.02Å; L495-V499 HydrophobicContact CG-CG2 4.39Å; L495-V499 WeakPolarHBondContact O-CG2 3.37Å; L495-V499 PolarHBondContact O-N 3.29Å; L495-M572 HydrophobicContact CD2-SD 4.17Å; L495-I586 HydrophobicContact CB-CD1 4.46Å; L495-I586 HydrophobicContact CD1-CD1 3.97Å; L495-L832 HydrophobicContact CB-CD1 4.1Å; L495-L832 HydrophobicContact CD2-CD1 3.75Å; L495-L832 HydrophobicContact CD2-CD2 4.03Å
496	L	91.2	Very high	92.6	Very high	21 Å²	21	42.6 Å²	42.6	11%	0.11	19%	0.193	C	C	.	.	H	α-helix	trans	-57.1	-47.7	176.7	-176.7	63	0	0	0	112.4	Q492 H494 F498 V499 K500 L535 V537 L540	Q492-L496 VanDerWaalsContact O-CB 3.25Å; Q492-L496 WeakPolarHBondContact O-CB 3.46Å; Q492-L496 PolarHBondContact O-N 3.36Å; H494-L496 VanDerWaalsContact C-N 3.34Å; H494-L496 PolarHBondContact O-N 3.09Å; L496-F498 VanDerWaalsContact C-N 3.3Å; L496-F498 PolarHBondContact O-N 2.84Å; L496-V499 PolarHBondContact O-N 3.39Å; L496-K500 HydrophobicContact CD1-CG 4.47Å; L496-K500 WeakPolarHBondContact O-CB 3.31Å; L496-K500 WeakPolarHBondContact O-CG 3.29Å; L496-K500 PolarHBondContact O-N 3.12Å; L496-L535 HydrophobicContact CD1-CB 3.69Å; L496-V537 HydrophobicContact CD2-CG2 3.85Å; L496-L540 HydrophobicContact CB-CD1 3.77Å; L496-L540 HydrophobicContact CD1-CD1 3.96Å; L496-L540 HydrophobicContact CD1-CD2 4.47Å; L496-L540 HydrophobicContact CD1-CG 4.18Å; L496-L540 HydrophobicContact CG-CD1 4.41Å
497	R	93	Very high	92.3	Very high	133 Å²	133	42.8 Å²	42.8	50%	0.502	20%	0.195	S	C	.	.	H	α-helix	trans	-59.6	-42.8	177.5	-179.3	-172.3	72.8	-156.7	1.4	111.1	K493 H494 L495 K501 E589	K493-R497 VanDerWaalsContact O-CB 3.26Å; K493-R497 WeakPolarHBondContact O-CB 3.15Å; K493-R497 PolarHBondContact O-N 3.35Å; H494-R497 PolarHBondContact CD2-NH2 3.45Å; H494-R497 PolarHBondContact CE1-NH2 3.05Å; H494-R497 PolarHBondContact NE2-NH2 3.37Å; H494-R497 WeakPolarHBondContact O-CB 3.14Å; H494-R497 PolarHBondContact O-N 2.88Å; L495-R497 PolarHBondContact O-N 3.17Å; R497-K501 VanDerWaalsContact O-CB 3.26Å; R497-K501 WeakPolarHBondContact O-CB 3.26Å; R497-K501 PolarHBondContact O-N 3.39Å; R497-E589 IonicContact NH2-OE2 3.54Å; R497-E589 PolarHBondContact NH2-OE2 3.19Å; R497-E589 VanDerWaalsContact NH2-OE2 3.08Å
498	F	94.5	Very high	92.5	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-67.5	-47.6	-179.6	-174.9	-92.9	0	0	0	111.9	H494 L495 L496 K500 K501 K502 F571 F582 E585 I586	H494-F498 WeakPolarHBondContact O-CB 3.31Å; H494-F498 PolarHBondContact O-N 3.37Å; L495-F498 PolarHBondContact O-N 2.91Å; L496-F498 VanDerWaalsContact C-N 3.3Å; L496-F498 PolarHBondContact O-N 2.84Å; F498-K500 PolarHBondContact O-N 3.22Å; F498-K501 WeakPolarHBondContact O-CB 3.34Å; F498-K501 PolarHBondContact O-N 3.15Å; F498-K502 HydrophobicContact CD1-CG 4.17Å; F498-K502 HydrophobicContact CE1-CG 3.77Å; F498-K502 HydrophobicContact CZ-CD 4.36Å; F498-K502 HydrophobicContact CZ-CG 3.96Å; F498-K502 WeakPolarHBondContact O-CG 3.22Å; F498-K502 PolarHBondContact O-N 2.82Å; F498-F571 HydrophobicContact CD1-CD1 4.18Å; F498-F571 HydrophobicContact CD1-CE1 4.41Å; F498-F571 HydrophobicContact CE1-CD1 4.03Å; F498-F571 HydrophobicContact CE1-CE1 4.29Å; F498-F582 HydrophobicContact CE1-CB 4.15Å; F498-F582 WeakPolarHBondContact CE1-O 3.39Å; F498-F582 HydrophobicContact CZ-CB 4.48Å; F498-F582 VanDerWaalsContact CZ-O 3.3Å; F498-F582 WeakPolarHBondContact CZ-O 3.2Å; F498-E585 HydrophobicContact CE2-CB 3.93Å; F498-E585 HydrophobicContact CZ-CB 3.74Å; F498-I586 HydrophobicContact CB-CD1 3.68Å; F498-I586 HydrophobicContact CB-CG1 4.27Å; F498-I586 HydrophobicContact CD1-CB 4.08Å; F498-I586 HydrophobicContact CD1-CD1 4.02Å; F498-I586 HydrophobicContact CD1-CG1 4.41Å; F498-I586 HydrophobicContact CD2-CB 3.96Å; F498-I586 HydrophobicContact CD2-CD1 4.37Å; F498-I586 HydrophobicContact CD2-CG1 4.1Å; F498-I586 HydrophobicContact CE1-CB 4.08Å; F498-I586 HydrophobicContact CE2-CB 3.96Å; F498-I586 HydrophobicContact CG-CB 4.02Å; F498-I586 HydrophobicContact CG-CD1 3.77Å; F498-I586 HydrophobicContact CG-CG1 4.01Å; F498-I586 HydrophobicContact CZ-CB 4.02Å
499	V	91.8	Very high	92.7	Very high	6 Å²	6	51.2 Å²	51.2	4%	0.036	23%	0.231	C	C	.	.	H	α-helix	trans	-58.2	-50.1	175	173.1	0	0	0	0	110.5	L495 L496 K501 K502 V503 F525 L535 F571	L495-V499 HydrophobicContact CD1-CG2 4.02Å; L495-V499 HydrophobicContact CG-CG2 4.39Å; L495-V499 WeakPolarHBondContact O-CG2 3.37Å; L495-V499 PolarHBondContact O-N 3.29Å; L496-V499 PolarHBondContact O-N 3.39Å; V499-K501 VanDerWaalsContact C-N 3.32Å; V499-K501 PolarHBondContact O-N 3.01Å; V499-K502 PolarHBondContact O-N 3.01Å; V499-V503 HydrophobicContact CG1-CG2 4.37Å; V499-V503 WeakPolarHBondContact O-CG2 3.43Å; V499-V503 PolarHBondContact O-N 3.35Å; V499-F525 HydrophobicContact CG1-CE2 4.29Å; V499-F525 HydrophobicContact CG1-CZ 3.66Å; V499-L535 HydrophobicContact CG1-CD1 3.98Å; V499-F571 HydrophobicContact CB-CZ 4.36Å; V499-F571 HydrophobicContact CG1-CE2 4.11Å; V499-F571 HydrophobicContact CG1-CZ 4.07Å; V499-F571 HydrophobicContact CG2-CD1 4.09Å; V499-F571 HydrophobicContact CG2-CD2 4Å; V499-F571 HydrophobicContact CG2-CE1 4.07Å; V499-F571 HydrophobicContact CG2-CE2 3.98Å; V499-F571 HydrophobicContact CG2-CG 4.06Å; V499-F571 HydrophobicContact CG2-CZ 4.02Å
500	K	91.8	Very high	92.7	Very high	68 Å²	68	53.4 Å²	53.4	30%	0.296	24%	0.244	S	C	.	.	H	α-helix	trans	-59.5	-39.3	176.8	-72.3	-165	-177.1	-150.8	0	113.1	L496 F498 R504 P532 Y533 L535	L496-K500 HydrophobicContact CD1-CG 4.47Å; L496-K500 WeakPolarHBondContact O-CB 3.31Å; L496-K500 WeakPolarHBondContact O-CG 3.29Å; L496-K500 PolarHBondContact O-N 3.12Å; F498-K500 PolarHBondContact O-N 3.22Å; K500-R504 WeakPolarHBondContact O-CB 3.4Å; K500-R504 PolarHBondContact O-N 3.25Å; K500-P532 WeakPolarHBondContact CD-O 3.33Å; K500-P532 WeakPolarHBondContact CE-O 3.42Å; K500-P532 PolarHBondContact NZ-O 3.47Å; K500-P532 VanDerWaalsContact NZ-O 3.09Å; K500-Y533 PolarHBondContact NZ-O 2.74Å; K500-L535 WeakPolarHBondContact CE-O 3.07Å; K500-L535 HydrophobicContact CG-CD1 4.47Å; K500-L535 PolarHBondContact NZ-O 3.13Å
501	K	94.4	Very high	92.6	Very high	81 Å²	81	53.3 Å²	53.3	35%	0.352	24%	0.244	S	C	.	.	H	α-helix	trans	-59.5	-52.3	174.4	176.5	-167.3	-179.9	-163.3	0	109.9	R497 F498 V499 R504 T505 E589	R497-K501 VanDerWaalsContact O-CB 3.26Å; R497-K501 WeakPolarHBondContact O-CB 3.26Å; R497-K501 PolarHBondContact O-N 3.39Å; F498-K501 WeakPolarHBondContact O-CB 3.34Å; F498-K501 PolarHBondContact O-N 3.15Å; V499-K501 VanDerWaalsContact C-N 3.32Å; V499-K501 PolarHBondContact O-N 3.01Å; K501-R504 PolarHBondContact O-N 2.95Å; K501-T505 PolarHBondContact O-N 3.36Å; K501-T505 PolarHBondContact O-OG1 3.15Å; K501-T505 VanDerWaalsContact O-OG1 3.05Å; K501-E589 IonicContact NZ-OE1 2.73Å; K501-E589 PolarHBondContact NZ-OE1 2.82Å
502	K	94.5	Very high	92.4	Very high	6 Å²	6	52.8 Å²	52.8	3%	0.026	24%	0.242	C	C	.	.	H	α-helix	trans	-64.4	-43.7	-177.6	-72.9	-65.3	-175.1	176.5	0	113.8	F498 V499 R504 T505 E506 L521 F571 F582 E585	F498-K502 HydrophobicContact CD1-CG 4.17Å; F498-K502 HydrophobicContact CE1-CG 3.77Å; F498-K502 HydrophobicContact CZ-CD 4.36Å; F498-K502 HydrophobicContact CZ-CG 3.96Å; F498-K502 WeakPolarHBondContact O-CG 3.22Å; F498-K502 PolarHBondContact O-N 2.82Å; V499-K502 PolarHBondContact O-N 3.01Å; K502-R504 PolarHBondContact O-N 3.49Å; K502-T505 PolarHBondContact O-N 2.86Å; K502-E506 WeakPolarHBondContact CD-OE1 3.33Å; K502-E506 IonicContact NZ-OE1 3.86Å; K502-E506 PolarHBondContact NZ-OE1 2.83Å; K502-E506 IonicContact NZ-OE2 2.86Å; K502-E506 CarbonylContact O-C 3.48Å; K502-E506 WeakPolarHBondContact O-CA 3.32Å; K502-E506 PolarHBondContact O-N 2.95Å; K502-L521 HydrophobicContact CB-CD2 4.34Å; K502-F571 HydrophobicContact CB-CE1 4.1Å; K502-F571 HydrophobicContact CG-CE1 4.3Å; K502-F582 HydrophobicContact CB-CE2 4.49Å; K502-F582 HydrophobicContact CB-CZ 4.48Å; K502-F582 HydrophobicContact CD-CD1 3.97Å; K502-F582 HydrophobicContact CD-CE1 3.65Å; K502-F582 HydrophobicContact CD-CZ 3.99Å; K502-F582 HydrophobicContact CG-CE1 4.42Å; K502-F582 HydrophobicContact CG-CZ 4.45Å; K502-E585 WeakPolarHBondContact CE-OE1 3.14Å; K502-E585 VanDerWaalsContact CE-OE2 3.3Å; K502-E585 WeakPolarHBondContact CE-OE2 3.33Å; K502-E585 IonicContact NZ-OE1 2.68Å; K502-E585 PolarHBondContact NZ-OE1 2.78Å; K502-E585 IonicContact NZ-OE2 3.47Å; K502-E585 PolarHBondContact NZ-OE2 2.8Å
503	V	91.4	Very high	92.2	Very high	6 Å²	6	54.7 Å²	54.7	4%	0.036	26%	0.259	C	S	.	.	H	α-helix	trans	-60.8	-37.1	174.8	-176.9	0	0	0	0	111.2	V499 G507 L521 F525 P532	V499-V503 HydrophobicContact CG1-CG2 4.37Å; V499-V503 WeakPolarHBondContact O-CG2 3.43Å; V499-V503 PolarHBondContact O-N 3.35Å; V503-G507 VanDerWaalsContact O-CA 3.23Å; V503-G507 WeakPolarHBondContact O-CA 3.18Å; V503-G507 PolarHBondContact O-N 2.64Å; V503-L521 HydrophobicContact CB-CD2 4.43Å; V503-L521 HydrophobicContact CG2-CD2 3.93Å; V503-L521 HydrophobicContact CG2-CG 4.09Å; V503-F525 HydrophobicContact CG1-CD2 4.32Å; V503-F525 HydrophobicContact CG2-CD2 3.51Å; V503-F525 HydrophobicContact CG2-CE2 3.24Å; V503-F525 HydrophobicContact CG2-CG 4.39Å; V503-F525 HydrophobicContact CG2-CZ 3.95Å; V503-P532 HydrophobicContact CB-CB 4.05Å; V503-P532 HydrophobicContact CB-CG 4.41Å; V503-P532 HydrophobicContact CG1-CB 3.82Å; V503-P532 HydrophobicContact CG1-CG 3.68Å
504	R	92	Very high	91.6	Very high	206 Å²	206	50.2 Å²	50.2	78%	0.777	25%	0.245	S	C	*	.	H	α-helix	trans	-74.4	-34.7	179.1	-171.5	-177.3	65.9	172.4	0.7	113.8	K500 K501 K502	K500-R504 WeakPolarHBondContact O-CB 3.4Å; K500-R504 PolarHBondContact O-N 3.25Å; K501-R504 PolarHBondContact O-N 2.95Å; K502-R504 PolarHBondContact O-N 3.49Å
505	T	94.5	Very high	90.6	Very high	86 Å²	86	57.3 Å²	57.3	53%	0.528	28%	0.283	S	S	.	.	H	α-helix	trans	-95.8	-28.1	-175.7	55.6	0	0	0	0	114	K501 K502	K501-T505 PolarHBondContact O-N 3.36Å; K501-T505 PolarHBondContact O-OG1 3.15Å; K501-T505 VanDerWaalsContact O-OG1 3.05Å; K502-T505 PolarHBondContact O-N 2.86Å
506	E	94.8	Very high	90	Very high	49 Å²	49	62.9 Å²	62.9	23%	0.229	32%	0.322	C	S	.	.	H	α-helix	trans	-136.4	26.3	-170.5	-69.3	171.6	-106.7	0	0	111.7	K502 D508 R509 F582	K502-E506 WeakPolarHBondContact CD-OE1 3.33Å; K502-E506 IonicContact NZ-OE1 3.86Å; K502-E506 PolarHBondContact NZ-OE1 2.83Å; K502-E506 IonicContact NZ-OE2 2.86Å; K502-E506 CarbonylContact O-C 3.48Å; K502-E506 WeakPolarHBondContact O-CA 3.32Å; K502-E506 PolarHBondContact O-N 2.95Å; E506-D508 PolarHBondContact O-N 3.14Å; E506-D508 VanDerWaalsContact O-N 3.15Å; E506-R509 HydrophobicContact CB-CB 4.21Å; E506-R509 WeakPolarHBondContact O-CB 3.43Å; E506-R509 PolarHBondContact O-N 3.47Å; E506-R509 WeakPolarHBondContact OE2-CD 3.46Å; E506-R509 IonicContact OE2-CZ 3.42Å; E506-R509 IonicContact OE2-NE 2.79Å; E506-R509 IonicContact OE2-NH1 2.69Å; E506-R509 PolarHBondContact OE2-NH1 2.81Å; E506-F582 WeakPolarHBondContact OE2-CE1 3.3Å
507	G	90.5	Very high	89.7	Confident	5 Å²	5	69.2 Å²	69.2	5%	0.052	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-31.9	-178.4	0	0	0	0	0	114.3	V503 R509 L521 N522	V503-G507 VanDerWaalsContact O-CA 3.23Å; V503-G507 WeakPolarHBondContact O-CA 3.18Å; V503-G507 PolarHBondContact O-N 2.64Å; G507-R509 VanDerWaalsContact C-N 3.29Å; G507-R509 PolarHBondContact O-N 3.01Å; G507-L521 CarbonylContact O-C 3.47Å; G507-L521 PolarHBondContact O-N 2.66Å; G507-N522 VanDerWaalsContact C-CG 3.49Å; G507-N522 WeakPolarHBondContact CA-ND2 3.11Å; G507-N522 VanDerWaalsContact O-CB 3.31Å; G507-N522 WeakPolarHBondContact O-CB 3.41Å; G507-N522 PolarHBondContact O-N 3.36Å; G507-N522 PolarHBondContact O-ND2 2.85Å
508	D	94	Very high	89.6	Confident	133 Å²	133	67.9 Å²	67.9	71%	0.711	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	4.2	180	-55.1	-35.3	0	0	0	113.3	E506 T520 N522	E506-D508 PolarHBondContact O-N 3.14Å; E506-D508 VanDerWaalsContact O-N 3.15Å; D508-T520 VanDerWaalsContact O-CG2 3.3Å; D508-T520 WeakPolarHBondContact O-CG2 3.32Å; D508-N522 PolarHBondContact OD1-ND2 3.44Å
509	R	94.3	Very high	89.4	Confident	70 Å²	70	69.3 Å²	69.3	26%	0.264	35%	0.351	S	S	.	.	S	Bend	trans	-72.8	132.2	174.7	-172.6	173.3	-179.6	160.9	3.2	109.9	E506 G507 V511 T520 L521 E581	E506-R509 HydrophobicContact CB-CB 4.21Å; E506-R509 WeakPolarHBondContact O-CB 3.43Å; E506-R509 PolarHBondContact O-N 3.47Å; E506-R509 WeakPolarHBondContact OE2-CD 3.46Å; E506-R509 IonicContact OE2-CZ 3.42Å; E506-R509 IonicContact OE2-NE 2.79Å; E506-R509 IonicContact OE2-NH1 2.69Å; E506-R509 PolarHBondContact OE2-NH1 2.81Å; G507-R509 VanDerWaalsContact C-N 3.29Å; G507-R509 PolarHBondContact O-N 3.01Å; R509-V511 PolarHBondContact O-N 2.89Å; R509-T520 CarbonylContact O-C 3.49Å; R509-T520 VanDerWaalsContact O-CA 3.25Å; R509-T520 WeakPolarHBondContact O-CA 3.45Å; R509-L521 PolarHBondContact O-N 3.21Å; R509-E581 IonicContact CZ-OE1 3.67Å; R509-E581 VanDerWaalsContact CZ-OE1 3.29Å; R509-E581 IonicContact CZ-OE2 3.07Å; R509-E581 IonicContact NH1-OE1 2.7Å; R509-E581 PolarHBondContact NH1-OE1 3.34Å; R509-E581 IonicContact NH1-OE2 3.23Å; R509-E581 IonicContact NH2-OE1 3.48Å; R509-E581 PolarHBondContact NH2-OE1 2.98Å; R509-E581 IonicContact NH2-OE2 3.51Å; R509-E581 PolarHBondContact NH2-OE2 3.43Å
510	V	93.7	Very high	89.5	Confident	52 Å²	52	70.3 Å²	70.3	32%	0.315	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	124.1	171.4	-176.3	0	0	0	0	109.1	H518 L519 T520 Y577 I578	V510-H518 HydrophobicContact CG1-CB 3.73Å; V510-H518 HydrophobicContact CG2-CB 4.49Å; V510-L519 WeakPolarHBondContact CA-O 3.48Å; V510-T520 HydrophobicContact CG2-CG2 4.3Å; V510-Y577 HydrophobicContact CB-CE1 4.11Å; V510-Y577 HydrophobicContact CG1-CD1 4.26Å; V510-Y577 HydrophobicContact CG1-CE1 3.44Å; V510-Y577 VanDerWaalsContact CG1-CE1 3.44Å; V510-I578 WeakPolarHBondContact O-CG2 3.37Å
511	V	92.1	Very high	89.5	Confident	1 Å²	1	67.1 Å²	67.1	1%	0.006	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	-15.5	-173.3	-68.1	0	0	0	0	114.4	R509 L519 L521 V524 I570 Y577 I578 F582	R509-V511 PolarHBondContact O-N 2.89Å; V511-L519 PolarHBondContact N-O 2.84Å; V511-L521 HydrophobicContact CG1-CB 3.97Å; V511-L521 HydrophobicContact CG1-CD1 4.31Å; V511-L521 HydrophobicContact CG2-CB 4.01Å; V511-L521 HydrophobicContact CG2-CD1 4.03Å; V511-V524 HydrophobicContact CG2-CG2 3.95Å; V511-I570 HydrophobicContact CB-CD1 4.12Å; V511-I570 HydrophobicContact CB-CG1 4.17Å; V511-I570 HydrophobicContact CB-CG2 4.19Å; V511-I570 HydrophobicContact CG1-CG2 4.44Å; V511-I570 HydrophobicContact CG2-CD1 3.67Å; V511-I570 HydrophobicContact CG2-CG1 4.29Å; V511-Y577 WeakPolarHBondContact O-CB 3.34Å; V511-I578 HydrophobicContact CG1-CG2 4.39Å; V511-F582 HydrophobicContact CG1-CE2 4Å; V511-F582 HydrophobicContact CG1-CZ 4.42Å
512	C	86.5	Confident	89.3	Confident	9 Å²	9	65.5 Å²	65.5	6%	0.061	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	168.7	173.8	60.2	0	0	0	0	111.3	L519 V524 I566	C512-L519 PolarHBondContact O-N 2.92Å; C512-V524 VanDerWaalsContact SG-CG2 3.5Å; C512-I566 HydrophobicContact CB-CD1 4.46Å
513	A	84.3	Confident	89.1	Confident	49 Å²	49	68 Å²	68	41%	0.405	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	127	172.1	0	0	0	0	0	109.2	R517 Y577	A513-R517 WeakPolarHBondContact CA-O 3.43Å; A513-Y577 HydrophobicContact CB-CD2 4.1Å; A513-Y577 HydrophobicContact CB-CE2 4.03Å
514	V	78.6	Confident	88.9	Confident	64 Å²	64	68 Å²	68	39%	0.388	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	126.8	178.4	-177.4	0	0	0	0	107.1	S516 R517 L519 I566	V514-S516 VanDerWaalsContact C-N 3.29Å; V514-S516 PolarHBondContact O-N 2.96Å; V514-R517 PolarHBondContact N-O 3.06Å; V514-R517 WeakPolarHBondContact O-CA 3.46Å; V514-R517 WeakPolarHBondContact O-CB 3.37Å; V514-R517 PolarHBondContact O-N 3.31Å; V514-L519 HydrophobicContact CB-CD1 4.26Å; V514-L519 HydrophobicContact CG2-CD1 3.92Å; V514-I566 HydrophobicContact CG2-CD1 4.49Å
515	D	72.3	Confident	88.7	Confident	157 Å²	157	58.5 Å²	58.5	84%	0.84	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.2	46	179.5	-55.7	-33.1	0	0	0	114.5	R517	D515-R517 PolarHBondContact O-N 2.74Å; D515-R517 VanDerWaalsContact O-N 3.14Å
516	S	78.9	Confident	88.3	Confident	119 Å²	119	62.2 Å²	62.2	83%	0.832	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.8	1.7	-174.7	-46.2	0	0	0	0	116	V514	V514-S516 VanDerWaalsContact C-N 3.29Å; V514-S516 PolarHBondContact O-N 2.96Å
517	R	85.2	Confident	87.6	Confident	153 Å²	153	62.6 Å²	62.6	58%	0.577	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.7	121.4	169.9	-177.6	175.6	174	178.7	-3.4	110.3	A513 V514 D515 L519 E523	A513-R517 WeakPolarHBondContact CA-O 3.43Å; V514-R517 PolarHBondContact N-O 3.06Å; V514-R517 WeakPolarHBondContact O-CA 3.46Å; V514-R517 WeakPolarHBondContact O-CB 3.37Å; V514-R517 PolarHBondContact O-N 3.31Å; D515-R517 PolarHBondContact O-N 2.74Å; D515-R517 VanDerWaalsContact O-N 3.14Å; R517-L519 HydrophobicContact CG-CD2 4.05Å; R517-E523 IonicContact CZ-OE1 3.85Å; R517-E523 IonicContact NE-OE1 3.69Å; R517-E523 IonicContact NH2-OE1 3.09Å; R517-E523 PolarHBondContact NH2-OE1 3.03Å
518	H	90.6	Very high	87	Confident	105 Å²	105	63.8 Å²	63.8	49%	0.486	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	129.2	167.5	-65.8	-63.7	0	0	0	110.1	V510 Y577	V510-H518 HydrophobicContact CG1-CB 3.73Å; V510-H518 HydrophobicContact CG2-CB 4.49Å; H518-Y577 AromaticContact CE1-CE2 3.94Å; H518-Y577 PolarHBondContact CE1-OH 3.19Å; H518-Y577 AromaticContact ND1-CE2 3.76Å; H518-Y577 AromaticContact ND1-CZ 3.61Å; H518-Y577 PolarHBondContact ND1-OH 3.3Å; H518-Y577 VanDerWaalsContact ND1-OH 3.07Å
519	L	91	Very high	86.3	Confident	31 Å²	31	60.6 Å²	60.6	16%	0.162	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	129.1	179.5	-62.4	175.3	0	0	0	110.4	V510 V511 C512 V514 R517 E523 V524	V510-L519 WeakPolarHBondContact CA-O 3.48Å; V511-L519 PolarHBondContact N-O 2.84Å; C512-L519 PolarHBondContact O-N 2.92Å; V514-L519 HydrophobicContact CB-CD1 4.26Å; V514-L519 HydrophobicContact CG2-CD1 3.92Å; R517-L519 HydrophobicContact CG-CD2 4.05Å; L519-E523 HydrophobicContact CB-CB 4.48Å; L519-E523 HydrophobicContact CD2-CB 4.27Å; L519-V524 HydrophobicContact CB-CG2 4.11Å
520	T	93.3	Very high	85.4	Confident	27 Å²	27	58.5 Å²	58.5	17%	0.166	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	156.7	169	58.1	0	0	0	0	111.5	D508 R509 V510 N522 E523 V524	D508-T520 VanDerWaalsContact O-CG2 3.3Å; D508-T520 WeakPolarHBondContact O-CG2 3.32Å; R509-T520 CarbonylContact O-C 3.49Å; R509-T520 VanDerWaalsContact O-CA 3.25Å; R509-T520 WeakPolarHBondContact O-CA 3.45Å; V510-T520 HydrophobicContact CG2-CG2 4.3Å; T520-N522 PolarHBondContact O-N 2.97Å; T520-E523 WeakPolarHBondContact CB-OE2 3.39Å; T520-E523 PolarHBondContact N-OE2 3.14Å; T520-E523 WeakPolarHBondContact O-CA 3.3Å; T520-E523 WeakPolarHBondContact O-CB 3.46Å; T520-E523 PolarHBondContact O-N 2.69Å; T520-E523 WeakPolarHBondContact OG1-CB 3.43Å; T520-E523 VanDerWaalsContact OG1-CG 3.24Å; T520-E523 WeakPolarHBondContact OG1-CG 3.47Å; T520-E523 PolarHBondContact OG1-N 2.92Å; T520-E523 PolarHBondContact OG1-OE2 3.06Å; T520-V524 PolarHBondContact O-N 3.28Å
521	L	91.7	Very high	84.6	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-57	-38.1	176.8	-174.4	62.8	0	0	0	111.5	K502 V503 G507 R509 V511 V524 F525 F571 F582	K502-L521 HydrophobicContact CB-CD2 4.34Å; V503-L521 HydrophobicContact CB-CD2 4.43Å; V503-L521 HydrophobicContact CG2-CD2 3.93Å; V503-L521 HydrophobicContact CG2-CG 4.09Å; G507-L521 CarbonylContact O-C 3.47Å; G507-L521 PolarHBondContact O-N 2.66Å; R509-L521 PolarHBondContact O-N 3.21Å; V511-L521 HydrophobicContact CG1-CB 3.97Å; V511-L521 HydrophobicContact CG1-CD1 4.31Å; V511-L521 HydrophobicContact CG2-CB 4.01Å; V511-L521 HydrophobicContact CG2-CD1 4.03Å; L521-V524 PolarHBondContact O-N 3.28Å; L521-F525 HydrophobicContact CD1-CD2 4.08Å; L521-F525 HydrophobicContact CD1-CE2 3.81Å; L521-F525 HydrophobicContact CG-CD2 4.22Å; L521-F525 HydrophobicContact CG-CE2 4.26Å; L521-F525 WeakPolarHBondContact O-CD2 3.5Å; L521-F525 PolarHBondContact O-N 3.28Å; L521-F571 HydrophobicContact CD1-CE2 4.22Å; L521-F571 HydrophobicContact CD1-CZ 4Å; L521-F571 HydrophobicContact CD2-CZ 4.41Å; L521-F582 HydrophobicContact CD2-CE2 4.21Å
522	N	90.8	Very high	83.7	Confident	48 Å²	48	61.4 Å²	61.4	26%	0.257	36%	0.358	S	S	.	.	H	α-helix	trans	-63.1	-37.5	171.9	-84.5	-26.8	0	0	0	113	G507 D508 T520 K526	G507-N522 VanDerWaalsContact C-CG 3.49Å; G507-N522 WeakPolarHBondContact CA-ND2 3.11Å; G507-N522 VanDerWaalsContact O-CB 3.31Å; G507-N522 WeakPolarHBondContact O-CB 3.41Å; G507-N522 PolarHBondContact O-N 3.36Å; G507-N522 PolarHBondContact O-ND2 2.85Å; D508-N522 PolarHBondContact OD1-ND2 3.44Å; T520-N522 PolarHBondContact O-N 2.97Å; N522-K526 WeakPolarHBondContact O-CB 3.37Å; N522-K526 WeakPolarHBondContact O-CD 3.5Å; N522-K526 WeakPolarHBondContact O-CG 3.47Å; N522-K526 PolarHBondContact O-N 2.8Å
523	E	90.7	Very high	83.1	Confident	57 Å²	57	70.5 Å²	70.5	27%	0.266	39%	0.393	S	S	.	.	H	α-helix	trans	-71.2	-37.4	173.7	-77.2	168.7	116.5	0	0	112.5	R517 L519 T520 K526 G527	R517-E523 IonicContact CZ-OE1 3.85Å; R517-E523 IonicContact NE-OE1 3.69Å; R517-E523 IonicContact NH2-OE1 3.09Å; R517-E523 PolarHBondContact NH2-OE1 3.03Å; L519-E523 HydrophobicContact CB-CB 4.48Å; L519-E523 HydrophobicContact CD2-CB 4.27Å; T520-E523 WeakPolarHBondContact CB-OE2 3.39Å; T520-E523 PolarHBondContact N-OE2 3.14Å; T520-E523 WeakPolarHBondContact O-CA 3.3Å; T520-E523 WeakPolarHBondContact O-CB 3.46Å; T520-E523 PolarHBondContact O-N 2.69Å; T520-E523 WeakPolarHBondContact OG1-CB 3.43Å; T520-E523 VanDerWaalsContact OG1-CG 3.24Å; T520-E523 WeakPolarHBondContact OG1-CG 3.47Å; T520-E523 PolarHBondContact OG1-N 2.92Å; T520-E523 PolarHBondContact OG1-OE2 3.06Å; E523-K526 PolarHBondContact O-N 2.67Å; E523-G527 PolarHBondContact O-N 3.23Å
524	V	87.9	Confident	82.7	Confident	7 Å²	7	72.5 Å²	72.5	4%	0.042	40%	0.397	C	S	.	.	H	α-helix	trans	-59.4	-52.9	173.3	175.5	0	0	0	0	109.9	V511 C512 L519 T520 L521 K526 G527 L528 I566 L567 I570	V511-V524 HydrophobicContact CG2-CG2 3.95Å; C512-V524 VanDerWaalsContact SG-CG2 3.5Å; L519-V524 HydrophobicContact CB-CG2 4.11Å; T520-V524 PolarHBondContact O-N 3.28Å; L521-V524 PolarHBondContact O-N 3.28Å; V524-K526 VanDerWaalsContact C-N 3.31Å; V524-K526 PolarHBondContact O-N 2.73Å; V524-G527 PolarHBondContact O-N 2.77Å; V524-L528 HydrophobicContact CG1-CD1 4.26Å; V524-L528 HydrophobicContact CG1-CG 4.49Å; V524-L528 WeakPolarHBondContact O-CG 3.25Å; V524-L528 PolarHBondContact O-N 3.35Å; V524-I566 HydrophobicContact CG1-CG2 4.17Å; V524-L567 HydrophobicContact CG1-CD2 4.24Å; V524-I570 HydrophobicContact CG1-CD1 4.32Å; V524-I570 HydrophobicContact CG2-CD1 4.38Å
525	F	86.3	Confident	82.7	Confident	6 Å²	6	69.6 Å²	69.6	3%	0.026	38%	0.379	C	S	.	.	H	α-helix	trans	-62.3	-34.6	178.1	-85.5	-75.9	0	0	0	113.6	V499 V503 L521 G529 V530 L535 I562 L567	V499-F525 HydrophobicContact CG1-CE2 4.29Å; V499-F525 HydrophobicContact CG1-CZ 3.66Å; V503-F525 HydrophobicContact CG1-CD2 4.32Å; V503-F525 HydrophobicContact CG2-CD2 3.51Å; V503-F525 HydrophobicContact CG2-CE2 3.24Å; V503-F525 HydrophobicContact CG2-CG 4.39Å; V503-F525 HydrophobicContact CG2-CZ 3.95Å; L521-F525 HydrophobicContact CD1-CD2 4.08Å; L521-F525 HydrophobicContact CD1-CE2 3.81Å; L521-F525 HydrophobicContact CG-CD2 4.22Å; L521-F525 HydrophobicContact CG-CE2 4.26Å; L521-F525 WeakPolarHBondContact O-CD2 3.5Å; L521-F525 PolarHBondContact O-N 3.28Å; F525-G529 PolarHBondContact O-N 2.95Å; F525-V530 PolarHBondContact O-N 3.39Å; F525-V530 VanDerWaalsContact O-O 3.13Å; F525-L535 HydrophobicContact CD1-CD1 4.49Å; F525-L535 HydrophobicContact CE1-CD1 3.69Å; F525-L535 HydrophobicContact CE1-CD2 4.06Å; F525-L535 HydrophobicContact CE1-CG 4.33Å; F525-L535 HydrophobicContact CZ-CD1 4.14Å; F525-I562 HydrophobicContact CE1-CD1 4.48Å; F525-L567 HydrophobicContact CE1-CD1 4.45Å; F525-L567 HydrophobicContact CE1-CD2 4.48Å; F525-L567 HydrophobicContact CE2-CD2 4.14Å; F525-L567 HydrophobicContact CZ-CD1 4.41Å; F525-L567 HydrophobicContact CZ-CD2 3.86Å
526	K	86.3	Confident	83	Confident	164 Å²	164	64 Å²	64	71%	0.713	35%	0.352	S	S	*	.	H	α-helix	trans	-65.9	-39.2	171	-77.4	170.2	-177.6	172.6	0	112.8	N522 E523 V524 G529	N522-K526 WeakPolarHBondContact O-CB 3.37Å; N522-K526 WeakPolarHBondContact O-CD 3.5Å; N522-K526 WeakPolarHBondContact O-CG 3.47Å; N522-K526 PolarHBondContact O-N 2.8Å; E523-K526 PolarHBondContact O-N 2.67Å; V524-K526 VanDerWaalsContact C-N 3.31Å; V524-K526 PolarHBondContact O-N 2.73Å; K526-G529 PolarHBondContact O-N 3.43Å
527	G	81.4	Confident	82.6	Confident	58 Å²	58	60.6 Å²	60.6	60%	0.598	33%	0.326	S	S	*	.	H	α-helix	trans	-62.6	-46.1	176.7	0	0	0	0	0	111.9	E523 V524 G529	E523-G527 PolarHBondContact O-N 3.23Å; V524-G527 PolarHBondContact O-N 2.77Å; G527-G529 PolarHBondContact O-N 3.38Å; G527-G529 VanDerWaalsContact O-N 3.14Å
528	L	77.9	Confident	81.8	Confident	29 Å²	29	59.9 Å²	59.9	15%	0.152	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-12.2	175.1	-62.1	-179.3	0	0	0	113.9	E5 V524 V530 I562 Q564 L567	E5-L528 WeakPolarHBondContact OE1-CD2 3.12Å; V524-L528 HydrophobicContact CG1-CD1 4.26Å; V524-L528 HydrophobicContact CG1-CG 4.49Å; V524-L528 WeakPolarHBondContact O-CG 3.25Å; V524-L528 PolarHBondContact O-N 3.35Å; L528-V530 VanDerWaalsContact C-N 3.26Å; L528-V530 PolarHBondContact O-N 3.06Å; L528-I562 HydrophobicContact CD1-CD1 4.47Å; L528-Q564 HydrophobicContact CD2-CB 4.3Å; L528-Q564 HydrophobicContact CD2-CG 3.68Å; L528-L567 HydrophobicContact CD1-CD1 3.64Å; L528-L567 HydrophobicContact CD1-CD2 4.03Å; L528-L567 HydrophobicContact CD1-CG 3.84Å
529	G	78.4	Confident	80.8	Confident	66 Å²	66	57 Å²	57	68%	0.68	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.5	12.5	-177.2	0	0	0	0	0	115.3	F525 K526 G527	F525-G529 PolarHBondContact O-N 2.95Å; K526-G529 PolarHBondContact O-N 3.43Å; G527-G529 PolarHBondContact O-N 3.38Å; G527-G529 VanDerWaalsContact O-N 3.14Å
530	V	75	Confident	79.6	Confident	26 Å²	26	55.7 Å²	55.7	16%	0.158	32%	0.317	C	S	.	.			trans	-115.7	126	-175	-174.7	0	0	0	0	110.7	F525 L528 D534 L535 T539 I562	F525-V530 PolarHBondContact O-N 3.39Å; F525-V530 VanDerWaalsContact O-O 3.13Å; L528-V530 VanDerWaalsContact C-N 3.26Å; L528-V530 PolarHBondContact O-N 3.06Å; V530-D534 HydrophobicContact CG1-CB 4.36Å; V530-L535 HydrophobicContact CG1-CD2 3.56Å; V530-L535 HydrophobicContact CG1-CG 4.06Å; V530-T539 HydrophobicContact CG1-CG2 4.33Å; V530-I562 HydrophobicContact CG2-CD1 4.47Å
531	T	76.9	Confident	78.4	Confident	67 Å²	67	58.5 Å²	58.5	41%	0.411	33%	0.331	S	S	.	.			trans	-82.8	152	173.1	86.1	0	0	0	0	111.2	Y533 D534 L535	T531-Y533 PolarHBondContact O-N 3.18Å; T531-Y533 VanDerWaalsContact O-N 3.08Å; T531-Y533 PolarHBondContact OG1-N 3.41Å; T531-D534 VanDerWaalsContact CB-OD2 3.25Å; T531-D534 WeakPolarHBondContact CB-OD2 3.49Å; T531-D534 VanDerWaalsContact CG2-OD2 3.29Å; T531-D534 WeakPolarHBondContact CG2-OD2 3.4Å; T531-D534 PolarHBondContact N-OD2 3.23Å; T531-D534 PolarHBondContact O-N 3.1Å; T531-D534 PolarHBondContact OG1-N 2.86Å; T531-D534 PolarHBondContact OG1-OD2 3.47Å; T531-L535 PolarHBondContact O-N 3.07Å
532	P	73.2	Confident	77.2	Confident	47 Å²	47	58.5 Å²	58.5	31%	0.305	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-14.7	174.3	26.5	-37.4	0	0	0	114	K500 V503	K500-P532 WeakPolarHBondContact CD-O 3.33Å; K500-P532 WeakPolarHBondContact CE-O 3.42Å; K500-P532 PolarHBondContact NZ-O 3.47Å; K500-P532 VanDerWaalsContact NZ-O 3.09Å; V503-P532 HydrophobicContact CB-CB 4.05Å; V503-P532 HydrophobicContact CB-CG 4.41Å; V503-P532 HydrophobicContact CG1-CB 3.82Å; V503-P532 HydrophobicContact CG1-CG 3.68Å
533	Y	73.8	Confident	75.9	Confident	201 Å²	201	58.7 Å²	58.7	79%	0.788	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-46.6	170.3	-172.6	-97.5	0	0	0	110.6	K500 T531 L535	K500-Y533 PolarHBondContact NZ-O 2.74Å; T531-Y533 PolarHBondContact O-N 3.18Å; T531-Y533 VanDerWaalsContact O-N 3.08Å; T531-Y533 PolarHBondContact OG1-N 3.41Å; Y533-L535 VanDerWaalsContact C-N 3.34Å; Y533-L535 PolarHBondContact O-N 3.02Å
534	D	77	Confident	74.2	Confident	91 Å²	91	56.5 Å²	56.5	49%	0.487	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-22.7	-173.3	-51.3	-43.9	0	0	0	114	V530 T531 S536 T539	V530-D534 HydrophobicContact CG1-CB 4.36Å; T531-D534 VanDerWaalsContact CB-OD2 3.25Å; T531-D534 WeakPolarHBondContact CB-OD2 3.49Å; T531-D534 VanDerWaalsContact CG2-OD2 3.29Å; T531-D534 WeakPolarHBondContact CG2-OD2 3.4Å; T531-D534 PolarHBondContact N-OD2 3.23Å; T531-D534 PolarHBondContact O-N 3.1Å; T531-D534 PolarHBondContact OG1-N 2.86Å; T531-D534 PolarHBondContact OG1-OD2 3.47Å; D534-S536 PolarHBondContact O-N 3.11Å; D534-T539 PolarHBondContact O-OG1 3Å
535	L	78.4	Confident	73.3	Confident	3 Å²	3	59.1 Å²	59.1	2%	0.016	34%	0.336	C	S	.	.			trans	-55.1	114.4	176.2	-63.2	170.8	0	0	0	111.1	L496 V499 K500 F525 V530 T531 Y533 T539 I562	L496-L535 HydrophobicContact CD1-CB 3.69Å; V499-L535 HydrophobicContact CG1-CD1 3.98Å; K500-L535 WeakPolarHBondContact CE-O 3.07Å; K500-L535 HydrophobicContact CG-CD1 4.47Å; K500-L535 PolarHBondContact NZ-O 3.13Å; F525-L535 HydrophobicContact CD1-CD1 4.49Å; F525-L535 HydrophobicContact CE1-CD1 3.69Å; F525-L535 HydrophobicContact CE1-CD2 4.06Å; F525-L535 HydrophobicContact CE1-CG 4.33Å; F525-L535 HydrophobicContact CZ-CD1 4.14Å; V530-L535 HydrophobicContact CG1-CD2 3.56Å; V530-L535 HydrophobicContact CG1-CG 4.06Å; T531-L535 PolarHBondContact O-N 3.07Å; Y533-L535 VanDerWaalsContact C-N 3.34Å; Y533-L535 PolarHBondContact O-N 3.02Å; L535-T539 HydrophobicContact CD2-CG2 4.32Å; L535-I562 HydrophobicContact CD2-CD1 3.46Å; L535-I562 VanDerWaalsContact CD2-CD1 3.46Å; L535-I562 HydrophobicContact CD2-CG1 4.34Å
536	S	79	Confident	72.1	Confident	39 Å²	39	70.1 Å²	70.1	27%	0.273	38%	0.377	S	S	.	.			trans	-107.8	178	166.4	83.3	0	0	0	0	110.6	D534 D538 T539 L540	D534-S536 PolarHBondContact O-N 3.11Å; S536-D538 VanDerWaalsContact C-N 3.28Å; S536-D538 PolarHBondContact OG-N 2.87Å; S536-D538 VanDerWaalsContact OG-N 3.12Å; S536-T539 PolarHBondContact N-OG1 3.38Å; S536-T539 PolarHBondContact O-N 2.89Å; S536-T539 PolarHBondContact OG-N 3.4Å; S536-T539 PolarHBondContact OG-OG1 3.4Å; S536-L540 PolarHBondContact O-N 3.25Å
537	V	70.4	Confident	71.1	Confident	48 Å²	48	67 Å²	67	29%	0.291	37%	0.368	S	S	.	.	H	α-helix	trans	-61.8	-42.1	170.3	170.1	0	0	0	0	110.1	Q492 L496 T539 L540	Q492-V537 HydrophobicContact CB-CG1 3.88Å; L496-V537 HydrophobicContact CD2-CG2 3.85Å; V537-T539 VanDerWaalsContact C-N 3.34Å; V537-T539 PolarHBondContact O-N 3.47Å; V537-L540 PolarHBondContact O-N 3.06Å
538	D	67.9	Low	69.9	Low	138 Å²	138	64.2 Å²	64.2	74%	0.738	34%	0.34	S	S	*	.	H	α-helix	trans	-65.1	-36.9	177.1	-46.1	-51	0	0	0	111.7	S536 L540 D541	S536-D538 VanDerWaalsContact C-N 3.28Å; S536-D538 PolarHBondContact OG-N 2.87Å; S536-D538 VanDerWaalsContact OG-N 3.12Å; D538-L540 VanDerWaalsContact C-N 3.28Å; D538-L540 PolarHBondContact O-N 3.39Å; D538-D541 PolarHBondContact O-N 3.4Å
539	T	69.2	Low	68.8	Low	45 Å²	45	66.5 Å²	66.5	28%	0.276	35%	0.348	S	S	.	.	H	α-helix	trans	-65	-30.1	176.3	-42.2	0	0	0	0	112.7	V530 D534 L535 S536 V537 D541 I562	V530-T539 HydrophobicContact CG1-CG2 4.33Å; D534-T539 PolarHBondContact O-OG1 3Å; L535-T539 HydrophobicContact CD2-CG2 4.32Å; S536-T539 PolarHBondContact N-OG1 3.38Å; S536-T539 PolarHBondContact O-N 2.89Å; S536-T539 PolarHBondContact OG-N 3.4Å; S536-T539 PolarHBondContact OG-OG1 3.4Å; V537-T539 VanDerWaalsContact C-N 3.34Å; V537-T539 PolarHBondContact O-N 3.47Å; T539-D541 PolarHBondContact O-N 2.98Å; T539-I562 HydrophobicContact CG2-CG2 4.41Å; T539-I562 WeakPolarHBondContact O-CA 3.39Å; T539-I562 WeakPolarHBondContact O-CG1 3.49Å
540	L	66.5	Low	67.7	Low	2 Å²	2	69.2 Å²	69.2	1%	0.01	34%	0.343	C	S	.	.	H	α-helix	trans	-68.6	-23.9	173.5	-65.1	175	0	0	0	111.7	L496 S536 V537 D538 V542 P561 I562	L496-L540 HydrophobicContact CB-CD1 3.77Å; L496-L540 HydrophobicContact CD1-CD1 3.96Å; L496-L540 HydrophobicContact CD1-CD2 4.47Å; L496-L540 HydrophobicContact CD1-CG 4.18Å; L496-L540 HydrophobicContact CG-CD1 4.41Å; S536-L540 PolarHBondContact O-N 3.25Å; V537-L540 PolarHBondContact O-N 3.06Å; D538-L540 VanDerWaalsContact C-N 3.28Å; D538-L540 PolarHBondContact O-N 3.39Å; L540-V542 HydrophobicContact CB-CG1 4.23Å; L540-V542 HydrophobicContact CB-CG2 4Å; L540-V542 WeakPolarHBondContact O-CG1 3.05Å; L540-V542 PolarHBondContact O-N 3.36Å; L540-P561 HydrophobicContact CD2-CB 4.01Å; L540-P561 CarbonylContact O-C 3.59Å; L540-P561 WeakPolarHBondContact O-CA 3.18Å; L540-I562 PolarHBondContact O-N 3.03Å
541	D	68.3	Low	66.9	Low	87 Å²	87	72.2 Å²	72.2	47%	0.465	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.2	25.9	-177.7	-163.6	42.6	0	0	0	115.3	D538 T539 H543 K558	D538-D541 PolarHBondContact O-N 3.4Å; T539-D541 PolarHBondContact O-N 2.98Å; D541-H543 VanDerWaalsContact C-N 3.33Å; D541-H543 PolarHBondContact O-N 3.39Å; D541-K558 WeakPolarHBondContact O-CD 3.44Å; D541-K558 PolarHBondContact O-NZ 2.99Å; D541-K558 IonicContact OD1-NZ 2.72Å; D541-K558 PolarHBondContact OD1-NZ 2.89Å; D541-K558 IonicContact OD2-NZ 3.75Å; D541-K558 PolarHBondContact OD2-NZ 2.96Å
542	V	65.6	Low	65.7	Low	0 Å²	0	70.3 Å²	70.3	0%	0	34%	0.338	C	S	.	.			trans	-81.8	-6.3	-178.4	-68.1	0	0	0	0	113.8	Q492 L540 K558 P561 L832	Q492-V542 HydrophobicContact CB-CG2 4.21Å; Q492-V542 HydrophobicContact CG-CG2 3.68Å; L540-V542 HydrophobicContact CB-CG1 4.23Å; L540-V542 HydrophobicContact CB-CG2 4Å; L540-V542 WeakPolarHBondContact O-CG1 3.05Å; L540-V542 PolarHBondContact O-N 3.36Å; V542-K558 WeakPolarHBondContact CA-O 3.21Å; V542-K558 WeakPolarHBondContact CG1-O 3.35Å; V542-P561 HydrophobicContact CG1-CB 4.46Å; V542-P561 HydrophobicContact CG1-CG 4.44Å; V542-L832 HydrophobicContact CB-CD2 4.44Å; V542-L832 HydrophobicContact CB-CG 4.21Å; V542-L832 HydrophobicContact CG1-CD2 4.46Å; V542-L832 HydrophobicContact CG2-CD1 4.04Å; V542-L832 HydrophobicContact CG2-CG 4.22Å
543	H	64	Low	64.8	Low	51 Å²	51	69.2 Å²	69.2	24%	0.236	33%	0.33	C	S	.	.	S	Bend	trans	-77.5	131.6	-179.5	-152.5	-39.4	0	0	0	111.4	Q492 D541 D545 K558 Q833 F836	Q492-H543 VanDerWaalsContact NE2-CA 3.29Å; Q492-H543 PolarHBondContact NE2-CD2 2.96Å; Q492-H543 PolarHBondContact OE1-CD2 3.3Å; D541-H543 VanDerWaalsContact C-N 3.33Å; D541-H543 PolarHBondContact O-N 3.39Å; H543-D545 PolarHBondContact O-N 3.42Å; H543-K558 WeakPolarHBondContact O-CD 3.45Å; H543-K558 WeakPolarHBondContact O-CE 3.38Å; H543-K558 PolarHBondContact O-NZ 3Å; H543-Q833 PolarHBondContact CE1-O 2.88Å; H543-Q833 PolarHBondContact ND1-O 3.23Å; H543-F836 AromaticContact CD2-CE1 3.79Å; H543-F836 AromaticContact CD2-CZ 3.99Å; H543-F836 AromaticContact CE1-CZ 3.94Å; H543-F836 AromaticContact NE2-CE1 3.22Å; H543-F836 WeakPolarHBondContact NE2-CE1 3.4Å; H543-F836 AromaticContact NE2-CE2 3.88Å; H543-F836 AromaticContact NE2-CZ 3.05Å; H543-F836 WeakPolarHBondContact NE2-CZ 3.29Å
544	A	55.7	Low	64	Low	12 Å²	12	62.9 Å²	62.9	10%	0.099	31%	0.306	C	S	.	.			trans	-66	125.6	165.2	0	0	0	0	0	109.7	T548 Q833 F834	A544-T548 HydrophobicContact CB-CG2 4.16Å; A544-Q833 HydrophobicContact CB-CB 4.28Å; A544-Q833 PolarHBondContact N-O 3.34Å; A544-Q833 VanDerWaalsContact N-O 3.09Å; A544-F834 HydrophobicContact CB-CD1 3.8Å; A544-F834 HydrophobicContact CB-CE1 3.34Å; A544-F834 HydrophobicContact CB-CZ 4.2Å
545	D	68	Low	62.9	Low	62 Å²	62	59 Å²	59	33%	0.332	29%	0.285	S	S	.	.			trans	-115.4	-177.9	-174	78.8	-18.5	0	0	0	112.1	H543 N547 T548	H543-D545 PolarHBondContact O-N 3.42Å; D545-N547 PolarHBondContact O-N 3.21Å; D545-N547 VanDerWaalsContact OD1-CA 3.32Å; D545-N547 WeakPolarHBondContact OD1-CA 3.18Å; D545-N547 VanDerWaalsContact OD1-CB 3.29Å; D545-N547 WeakPolarHBondContact OD1-CB 3.27Å; D545-N547 PolarHBondContact OD1-N 3.4Å; D545-N547 WeakPolarHBondContact OD2-CB 3.34Å; D545-N547 PolarHBondContact OD2-ND2 3.45Å; D545-T548 PolarHBondContact N-OG1 2.75Å; D545-T548 VanDerWaalsContact N-OG1 3.11Å; D545-T548 WeakPolarHBondContact O-CB 3.35Å; D545-T548 PolarHBondContact O-N 2.98Å; D545-T548 PolarHBondContact O-OG1 2.85Å; D545-T548 PolarHBondContact OD1-N 3.35Å; D545-T548 PolarHBondContact OD1-OG1 2.89Å
546	R	61.9	Low	62	Low	237 Å²	237	61.3 Å²	61.3	89%	0.894	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-19	175.5	-66.4	-176.5	66.7	171.1	0.7	114
547	N	64	Low	61	Low	97 Å²	97	60.3 Å²	60.3	52%	0.519	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-8.9	179.4	-59.2	-61.9	0	0	0	113.1	D545 K554	D545-N547 PolarHBondContact O-N 3.21Å; D545-N547 VanDerWaalsContact OD1-CA 3.32Å; D545-N547 WeakPolarHBondContact OD1-CA 3.18Å; D545-N547 VanDerWaalsContact OD1-CB 3.29Å; D545-N547 WeakPolarHBondContact OD1-CB 3.27Å; D545-N547 PolarHBondContact OD1-N 3.4Å; D545-N547 WeakPolarHBondContact OD2-CB 3.34Å; D545-N547 PolarHBondContact OD2-ND2 3.45Å; N547-K554 VanDerWaalsContact O-CD 3.25Å; N547-K554 WeakPolarHBondContact O-CD 3.41Å; N547-K554 PolarHBondContact O-NZ 3.07Å
548	T	56.8	Low	60.8	Low	1 Å²	1	58.8 Å²	58.8	1%	0.006	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-20.4	-179.8	-50.1	0	0	0	0	111.9	A544 D545 H550 R551 F555 L805	A544-T548 HydrophobicContact CB-CG2 4.16Å; D545-T548 PolarHBondContact N-OG1 2.75Å; D545-T548 VanDerWaalsContact N-OG1 3.11Å; D545-T548 WeakPolarHBondContact O-CB 3.35Å; D545-T548 PolarHBondContact O-N 2.98Å; D545-T548 PolarHBondContact O-OG1 2.85Å; D545-T548 PolarHBondContact OD1-N 3.35Å; D545-T548 PolarHBondContact OD1-OG1 2.89Å; T548-H550 PolarHBondContact O-N 2.73Å; T548-R551 CarbonylContact O-C 3.57Å; T548-R551 WeakPolarHBondContact O-CA 3.49Å; T548-R551 PolarHBondContact O-N 3.39Å; T548-F555 HydrophobicContact CG2-CB 3.77Å; T548-L805 HydrophobicContact CG2-CD2 3.79Å
549	F	54.5	Low	60.2	Low	76 Å²	76	53.4 Å²	53.4	33%	0.333	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	125.5	175.8	-160.8	-98.5	0	0	0	111.8	R551 G804 F806	F549-R551 PolarHBondContact O-N 2.85Å; F549-G804 VanDerWaalsContact CA-O 3.3Å; F549-G804 WeakPolarHBondContact CA-O 3.39Å; F549-G804 PolarHBondContact N-O 2.76Å; F549-F806 VanDerWaalsContact CZ-C 3.47Å
550	H	55.8	Low	59.7	Low	124 Å²	124	51.4 Å²	51.4	57%	0.574	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.2	19.9	-169.9	-59.8	-36.1	0	0	0	115.4	T548 L805 F806	T548-H550 PolarHBondContact O-N 2.73Å; H550-L805 PolarHBondContact N-O 3.25Å; H550-L805 PolarHBondContact ND1-O 3.17Å; H550-F806 PolarHBondContact CE1-O 2.89Å
551	R	57	Low	59.3	Low	88 Å²	88	51.4 Å²	51.4	33%	0.332	24%	0.237	S	C	.	.			trans	-127.7	69.4	-177.4	-67.2	-60.6	-60.4	-109.3	-0.8	110.7	T548 F549 D553 K554 F555	T548-R551 CarbonylContact O-C 3.57Å; T548-R551 WeakPolarHBondContact O-CA 3.49Å; T548-R551 PolarHBondContact O-N 3.39Å; F549-R551 PolarHBondContact O-N 2.85Å; R551-D553 WeakPolarHBondContact CA-OD1 3.33Å; R551-D553 WeakPolarHBondContact CB-OD1 3.43Å; R551-D553 IonicContact CZ-OD1 3.58Å; R551-D553 IonicContact CZ-OD2 3.21Å; R551-D553 IonicContact NE-OD1 2.8Å; R551-D553 PolarHBondContact NE-OD1 3.44Å; R551-D553 IonicContact NE-OD2 2.69Å; R551-D553 PolarHBondContact NE-OD2 3.38Å; R551-D553 IonicContact NH2-OD1 3.49Å; R551-D553 IonicContact NH2-OD2 3.81Å; R551-D553 PolarHBondContact NH2-OD2 2.64Å; R551-D553 PolarHBondContact O-N 3.18Å; R551-K554 HydrophobicContact CB-CB 4.14Å; R551-K554 HydrophobicContact CB-CD 3.93Å; R551-K554 HydrophobicContact CB-CG 4.06Å; R551-K554 HydrophobicContact CG-CD 4.38Å; R551-K554 WeakPolarHBondContact O-CA 3.47Å; R551-K554 WeakPolarHBondContact O-CB 3.24Å; R551-K554 PolarHBondContact O-N 3.19Å; R551-F555 PolarHBondContact O-N 3.11Å
552	F	53.2	Low	58.9	Low	27 Å²	27	49.2 Å²	49.2	12%	0.118	23%	0.225	C	C	.	.	H	α-helix	trans	-59.1	-27.2	177.8	-154.9	-85.7	0	0	0	112.4	K554 F555 N556 D694 L805 F806	F552-K554 VanDerWaalsContact C-N 3.34Å; F552-K554 PolarHBondContact O-N 2.95Å; F552-F555 HydrophobicContact CD1-CD1 4.11Å; F552-F555 HydrophobicContact CD2-CD1 4.01Å; F552-F555 AromaticContact CE1-CD1 3.85Å; F552-F555 HydrophobicContact CE1-CD1 3.85Å; F552-F555 HydrophobicContact CE1-CE1 4.09Å; F552-F555 AromaticContact CE2-CD1 3.74Å; F552-F555 HydrophobicContact CE2-CD1 3.74Å; F552-F555 AromaticContact CE2-CE1 3.81Å; F552-F555 HydrophobicContact CE2-CE1 3.81Å; F552-F555 HydrophobicContact CG-CD1 4.21Å; F552-F555 AromaticContact CZ-CD1 3.66Å; F552-F555 HydrophobicContact CZ-CD1 3.66Å; F552-F555 AromaticContact CZ-CE1 3.57Å; F552-F555 HydrophobicContact CZ-CE1 3.57Å; F552-F555 WeakPolarHBondContact O-CB 3.45Å; F552-F555 PolarHBondContact O-N 3.44Å; F552-N556 WeakPolarHBondContact CE1-OD1 3.4Å; F552-N556 PolarHBondContact O-N 2.79Å; F552-D694 HydrophobicContact CB-CB 4.34Å; F552-D694 HydrophobicContact CD1-CB 3.54Å; F552-D694 HydrophobicContact CE1-CB 3.95Å; F552-D694 HydrophobicContact CG-CB 3.95Å; F552-L805 HydrophobicContact CE2-CD1 4.44Å; F552-F806 HydrophobicContact CD2-CE2 4.44Å; F552-F806 AromaticContact CD2-CZ 3.94Å; F552-F806 HydrophobicContact CD2-CZ 3.94Å; F552-F806 HydrophobicContact CE2-CZ 4.48Å
553	D	53.8	Low	58.5	Low	25 Å²	25	51 Å²	51	13%	0.134	24%	0.243	C	C	.	.	H	α-helix	trans	-61	-39.7	171.1	68.8	-42	0	0	0	112.6	L60 R551 S557	L60-D553 HydrophobicContact CD1-CB 3.72Å; L60-D553 WeakPolarHBondContact CD1-OD2 3.43Å; L60-D553 HydrophobicContact CG-CB 4.11Å; R551-D553 WeakPolarHBondContact CA-OD1 3.33Å; R551-D553 WeakPolarHBondContact CB-OD1 3.43Å; R551-D553 IonicContact CZ-OD1 3.58Å; R551-D553 IonicContact CZ-OD2 3.21Å; R551-D553 IonicContact NE-OD1 2.8Å; R551-D553 PolarHBondContact NE-OD1 3.44Å; R551-D553 IonicContact NE-OD2 2.69Å; R551-D553 PolarHBondContact NE-OD2 3.38Å; R551-D553 IonicContact NH2-OD1 3.49Å; R551-D553 IonicContact NH2-OD2 3.81Å; R551-D553 PolarHBondContact NH2-OD2 2.64Å; R551-D553 PolarHBondContact O-N 3.18Å; D553-S557 PolarHBondContact O-N 3.14Å; D553-S557 PolarHBondContact O-OG 2.92Å
554	K	56.2	Low	58.3	Low	68 Å²	68	50.3 Å²	50.3	30%	0.296	24%	0.24	S	C	.	.	H	α-helix	trans	-74.7	-37.3	172.5	-65	-178.6	-172.9	174.6	0	112.2	N547 R551 F552 S557 K558	N547-K554 VanDerWaalsContact O-CD 3.25Å; N547-K554 WeakPolarHBondContact O-CD 3.41Å; N547-K554 PolarHBondContact O-NZ 3.07Å; R551-K554 HydrophobicContact CB-CB 4.14Å; R551-K554 HydrophobicContact CB-CD 3.93Å; R551-K554 HydrophobicContact CB-CG 4.06Å; R551-K554 HydrophobicContact CG-CD 4.38Å; R551-K554 WeakPolarHBondContact O-CA 3.47Å; R551-K554 WeakPolarHBondContact O-CB 3.24Å; R551-K554 PolarHBondContact O-N 3.19Å; F552-K554 VanDerWaalsContact C-N 3.34Å; F552-K554 PolarHBondContact O-N 2.95Å; K554-S557 CarbonylContact O-C 3.48Å; K554-S557 WeakPolarHBondContact O-CA 3.41Å; K554-S557 WeakPolarHBondContact O-CB 3.41Å; K554-S557 PolarHBondContact O-N 3.42Å; K554-K558 WeakPolarHBondContact O-CG 3.29Å; K554-K558 PolarHBondContact O-N 3.37Å
555	F	54.2	Low	58.8	Low	8 Å²	8	51.6 Å²	51.6	4%	0.035	25%	0.248	C	C	.	.	H	α-helix	trans	-58.5	-47.5	174.3	166.2	-100.7	0	0	0	112	T548 R551 F552 S557 K558 Y559 L805 D830 F834	T548-F555 HydrophobicContact CG2-CB 3.77Å; R551-F555 PolarHBondContact O-N 3.11Å; F552-F555 HydrophobicContact CD1-CD1 4.11Å; F552-F555 HydrophobicContact CD2-CD1 4.01Å; F552-F555 AromaticContact CE1-CD1 3.85Å; F552-F555 HydrophobicContact CE1-CD1 3.85Å; F552-F555 HydrophobicContact CE1-CE1 4.09Å; F552-F555 AromaticContact CE2-CD1 3.74Å; F552-F555 HydrophobicContact CE2-CD1 3.74Å; F552-F555 AromaticContact CE2-CE1 3.81Å; F552-F555 HydrophobicContact CE2-CE1 3.81Å; F552-F555 HydrophobicContact CG-CD1 4.21Å; F552-F555 AromaticContact CZ-CD1 3.66Å; F552-F555 HydrophobicContact CZ-CD1 3.66Å; F552-F555 AromaticContact CZ-CE1 3.57Å; F552-F555 HydrophobicContact CZ-CE1 3.57Å; F552-F555 WeakPolarHBondContact O-CB 3.45Å; F552-F555 PolarHBondContact O-N 3.44Å; F555-S557 PolarHBondContact O-N 3.05Å; F555-K558 WeakPolarHBondContact O-CB 3.33Å; F555-K558 PolarHBondContact O-N 3.42Å; F555-Y559 HydrophobicContact CD1-CE2 4.43Å; F555-Y559 AromaticContact CE1-CE2 3.92Å; F555-Y559 HydrophobicContact CE1-CE2 3.92Å; F555-Y559 HydrophobicContact CZ-CE2 4.01Å; F555-L805 HydrophobicContact CB-CD2 3.81Å; F555-L805 HydrophobicContact CD2-CD1 4.06Å; F555-L805 HydrophobicContact CD2-CD2 3.74Å; F555-L805 HydrophobicContact CD2-CG 4.43Å; F555-L805 HydrophobicContact CE2-CD1 4.06Å; F555-L805 HydrophobicContact CG-CD1 4.31Å; F555-L805 HydrophobicContact CG-CD2 3.89Å; F555-L805 HydrophobicContact CZ-CD1 4.33Å; F555-D830 WeakPolarHBondContact CE2-OD2 3.47Å; F555-D830 WeakPolarHBondContact CZ-OD2 3.47Å; F555-F834 HydrophobicContact CD2-CZ 4.1Å; F555-F834 AromaticContact CE2-CE2 3.97Å; F555-F834 HydrophobicContact CE2-CE2 3.97Å; F555-F834 AromaticContact CE2-CZ 3.7Å; F555-F834 HydrophobicContact CE2-CZ 3.7Å
556	N	60.9	Low	59.3	Low	53 Å²	53	50.6 Å²	50.6	28%	0.283	24%	0.242	S	C	.	.	H	α-helix	trans	-58.6	-34	172.6	-78.1	-15.3	0	0	0	112.2	F552 K558	F552-N556 WeakPolarHBondContact CE1-OD1 3.4Å; F552-N556 PolarHBondContact O-N 2.79Å; N556-K558 VanDerWaalsContact C-N 3.33Å; N556-K558 PolarHBondContact O-N 2.64Å
557	S	57.8	Low	60.2	Low	18 Å²	18	39.4 Å²	39.4	13%	0.126	20%	0.201	C	C	.	.	H	α-helix	trans	-67.1	-30.6	175.3	-51.9	0	0	0	0	113	M1 D553 K554 F555 Y559 N560	M1-S557 WeakPolarHBondContact CE-OG 3.26Å; M1-S557 PolarHBondContact SD-OG 3.06Å; M1-S557 VanDerWaalsContact SD-OG 3.41Å; D553-S557 PolarHBondContact O-N 3.14Å; D553-S557 PolarHBondContact O-OG 2.92Å; K554-S557 CarbonylContact O-C 3.48Å; K554-S557 WeakPolarHBondContact O-CA 3.41Å; K554-S557 WeakPolarHBondContact O-CB 3.41Å; K554-S557 PolarHBondContact O-N 3.42Å; F555-S557 PolarHBondContact O-N 3.05Å; S557-Y559 PolarHBondContact O-N 2.83Å; S557-N560 WeakPolarHBondContact O-CB 3.43Å; S557-N560 PolarHBondContact O-N 2.95Å; S557-N560 VanDerWaalsContact O-N 3.12Å; S557-N560 PolarHBondContact O-ND2 3.04Å
558	K	66.1	Low	61	Low	16 Å²	16	37.3 Å²	37.3	7%	0.07	19%	0.185	C	C	.	.	H	α-helix	trans	-69.3	-13	-178.8	-68.6	-64.6	-178	-178.7	0	114.2	D541 V542 H543 K554 F555 N556 N560 Q833	D541-K558 WeakPolarHBondContact O-CD 3.44Å; D541-K558 PolarHBondContact O-NZ 2.99Å; D541-K558 IonicContact OD1-NZ 2.72Å; D541-K558 PolarHBondContact OD1-NZ 2.89Å; D541-K558 IonicContact OD2-NZ 3.75Å; D541-K558 PolarHBondContact OD2-NZ 2.96Å; V542-K558 WeakPolarHBondContact CA-O 3.21Å; V542-K558 WeakPolarHBondContact CG1-O 3.35Å; H543-K558 WeakPolarHBondContact O-CD 3.45Å; H543-K558 WeakPolarHBondContact O-CE 3.38Å; H543-K558 PolarHBondContact O-NZ 3Å; K554-K558 WeakPolarHBondContact O-CG 3.29Å; K554-K558 PolarHBondContact O-N 3.37Å; F555-K558 WeakPolarHBondContact O-CB 3.33Å; F555-K558 PolarHBondContact O-N 3.42Å; N556-K558 VanDerWaalsContact C-N 3.33Å; N556-K558 PolarHBondContact O-N 2.64Å; K558-N560 PolarHBondContact O-N 3.36Å; K558-Q833 VanDerWaalsContact CB-OE1 3.31Å
559	Y	54.9	Low	62.2	Low	25 Å²	25	39.4 Å²	39.4	10%	0.098	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-10.1	169.1	-73	-89	0	0	0	113.6	F555 S557 P561 R568 M572 D830 Q833	F555-Y559 HydrophobicContact CD1-CE2 4.43Å; F555-Y559 AromaticContact CE1-CE2 3.92Å; F555-Y559 HydrophobicContact CE1-CE2 3.92Å; F555-Y559 HydrophobicContact CZ-CE2 4.01Å; S557-Y559 PolarHBondContact O-N 2.83Å; Y559-P561 WeakPolarHBondContact O-CD 3.38Å; Y559-R568 VanDerWaalsContact CB-CZ 3.44Å; Y559-R568 WeakPolarHBondContact O-CB 3.38Å; Y559-R568 VanDerWaalsContact O-CD 3.32Å; Y559-R568 WeakPolarHBondContact O-CD 3.24Å; Y559-R568 WeakPolarHBondContact O-CG 3.15Å; Y559-M572 HydrophobicContact CD1-CE 4.38Å; Y559-D830 PolarHBondContact OH-OD1 3.37Å; Y559-Q833 VanDerWaalsContact CE2-NE2 3.26Å
560	N	59.3	Low	63.8	Low	2 Å²	2	35.9 Å²	35.9	1%	0.011	18%	0.181	C	C	.	.	S	Bend	trans	-99.6	106.7	-177.4	-56.1	-63.8	0	0	0	110.8	D56 S557 K558 I562 G563 S565 R568	D56-N560 PolarHBondContact OD1-ND2 3.12Å; D56-N560 PolarHBondContact OD2-ND2 3.28Å; D56-N560 VanDerWaalsContact OD2-ND2 3.14Å; S557-N560 WeakPolarHBondContact O-CB 3.43Å; S557-N560 PolarHBondContact O-N 2.95Å; S557-N560 VanDerWaalsContact O-N 3.12Å; S557-N560 PolarHBondContact O-ND2 3.04Å; K558-N560 PolarHBondContact O-N 3.36Å; N560-I562 PolarHBondContact O-N 3.44Å; N560-G563 WeakPolarHBondContact O-CA 3.3Å; N560-G563 PolarHBondContact O-N 2.82Å; N560-S565 WeakPolarHBondContact OD1-CA 3.38Å; N560-R568 WeakPolarHBondContact OD1-CD 3.42Å; N560-R568 PolarHBondContact OD1-NH1 3.05Å
561	P	57.7	Low	65.5	Low	3 Å²	3	30.1 Å²	30.1	2%	0.019	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-60	134.3	179.3	-21.5	33.1	0	0	0	111.2	L540 V542 Y559 G563 Q564 L567 M572	L540-P561 HydrophobicContact CD2-CB 4.01Å; L540-P561 CarbonylContact O-C 3.59Å; L540-P561 WeakPolarHBondContact O-CA 3.18Å; V542-P561 HydrophobicContact CG1-CB 4.46Å; V542-P561 HydrophobicContact CG1-CG 4.44Å; Y559-P561 WeakPolarHBondContact O-CD 3.38Å; P561-G563 PolarHBondContact O-N 3.36Å; P561-Q564 WeakPolarHBondContact O-CB 3.49Å; P561-Q564 PolarHBondContact O-N 3.07Å; P561-L567 HydrophobicContact CB-CB 3.98Å; P561-L567 HydrophobicContact CB-CD1 4.18Å; P561-L567 HydrophobicContact CG-CB 4.06Å; P561-M572 HydrophobicContact CG-SD 4.03Å
562	I	60.5	Low	67	Low	41 Å²	41	26.2 Å²	26.2	21%	0.21	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	60.6	21.3	-174.8	-32.7	179.1	0	0	0	111.9	F525 L528 V530 L535 T539 L540 N560 Q564 L567	F525-I562 HydrophobicContact CE1-CD1 4.48Å; L528-I562 HydrophobicContact CD1-CD1 4.47Å; V530-I562 HydrophobicContact CG2-CD1 4.47Å; L535-I562 HydrophobicContact CD2-CD1 3.46Å; L535-I562 VanDerWaalsContact CD2-CD1 3.46Å; L535-I562 HydrophobicContact CD2-CG1 4.34Å; T539-I562 HydrophobicContact CG2-CG2 4.41Å; T539-I562 WeakPolarHBondContact O-CA 3.39Å; T539-I562 WeakPolarHBondContact O-CG1 3.49Å; L540-I562 PolarHBondContact O-N 3.03Å; N560-I562 PolarHBondContact O-N 3.44Å; I562-Q564 PolarHBondContact O-N 3.38Å; I562-L567 HydrophobicContact CB-CD1 4.41Å; I562-L567 HydrophobicContact CD1-CD1 3.51Å; I562-L567 HydrophobicContact CG1-CD1 3.77Å
563	G	56.9	Low	68.6	Low	37 Å²	37	27.4 Å²	27.4	38%	0.381	15%	0.145	S	C	.	.	G	3₁₀ helix	trans	69.6	13.9	-171.1	0	0	0	0	0	114.1	N560 P561	N560-G563 WeakPolarHBondContact O-CA 3.3Å; N560-G563 PolarHBondContact O-N 2.82Å; P561-G563 PolarHBondContact O-N 3.36Å
564	Q	58.5	Low	70.3	Confident	37 Å²	37	27.8 Å²	27.8	17%	0.173	15%	0.148	C	C	.	.			trans	-111.7	114.8	-168.8	-73.8	-71.5	-0	0	0	113	E5 L528 P561 I562 I566 L567	E5-Q564 PolarHBondContact OE2-NE2 2.74Å; E5-Q564 PolarHBondContact OE2-OE1 3.44Å; L528-Q564 HydrophobicContact CD2-CB 4.3Å; L528-Q564 HydrophobicContact CD2-CG 3.68Å; P561-Q564 WeakPolarHBondContact O-CB 3.49Å; P561-Q564 PolarHBondContact O-N 3.07Å; I562-Q564 PolarHBondContact O-N 3.38Å; Q564-I566 HydrophobicContact CB-CG2 4.44Å; Q564-I566 PolarHBondContact O-N 3.33Å; Q564-L567 PolarHBondContact O-N 3.02Å
565	S	67.9	Low	71.8	Confident	38 Å²	38	27.9 Å²	27.9	27%	0.266	15%	0.152	S	C	.	.	H	α-helix	trans	-60.6	-31.2	-178.9	63.5	0	0	0	0	112.6	N560 L567 R568 D569	N560-S565 WeakPolarHBondContact OD1-CA 3.38Å; S565-L567 VanDerWaalsContact C-N 3.32Å; S565-L567 PolarHBondContact O-N 3.44Å; S565-R568 WeakPolarHBondContact O-CB 3.4Å; S565-R568 PolarHBondContact O-N 2.94Å; S565-D569 WeakPolarHBondContact O-CB 3.28Å; S565-D569 PolarHBondContact O-N 2.91Å
566	I	77.2	Confident	73.6	Confident	41 Å²	41	28.1 Å²	28.1	21%	0.21	15%	0.154	C	C	.	.	H	α-helix	trans	-62.9	-35.1	179	-154.7	169.7	0	0	0	112.8	C512 V514 V524 Q564 D569 I570	C512-I566 HydrophobicContact CB-CD1 4.46Å; V514-I566 HydrophobicContact CG2-CD1 4.49Å; V524-I566 HydrophobicContact CG1-CG2 4.17Å; Q564-I566 HydrophobicContact CB-CG2 4.44Å; Q564-I566 PolarHBondContact O-N 3.33Å; I566-D569 PolarHBondContact O-N 3.23Å; I566-I570 HydrophobicContact CG1-CD1 4.22Å; I566-I570 WeakPolarHBondContact O-CD1 3.36Å; I566-I570 WeakPolarHBondContact O-CG1 3.29Å; I566-I570 PolarHBondContact O-N 3.44Å
567	L	81.7	Confident	75	Confident	3 Å²	3	30.7 Å²	30.7	2%	0.016	16%	0.16	C	C	.	.	H	α-helix	trans	-74.6	-35.7	177.8	-69.3	-177.6	0	0	0	111.7	V524 F525 L528 P561 I562 Q564 S565 F571	V524-L567 HydrophobicContact CG1-CD2 4.24Å; F525-L567 HydrophobicContact CE1-CD1 4.45Å; F525-L567 HydrophobicContact CE1-CD2 4.48Å; F525-L567 HydrophobicContact CE2-CD2 4.14Å; F525-L567 HydrophobicContact CZ-CD1 4.41Å; F525-L567 HydrophobicContact CZ-CD2 3.86Å; L528-L567 HydrophobicContact CD1-CD1 3.64Å; L528-L567 HydrophobicContact CD1-CD2 4.03Å; L528-L567 HydrophobicContact CD1-CG 3.84Å; P561-L567 HydrophobicContact CB-CB 3.98Å; P561-L567 HydrophobicContact CB-CD1 4.18Å; P561-L567 HydrophobicContact CG-CB 4.06Å; I562-L567 HydrophobicContact CB-CD1 4.41Å; I562-L567 HydrophobicContact CD1-CD1 3.51Å; I562-L567 HydrophobicContact CG1-CD1 3.77Å; Q564-L567 PolarHBondContact O-N 3.02Å; S565-L567 VanDerWaalsContact C-N 3.32Å; S565-L567 PolarHBondContact O-N 3.44Å; L567-F571 HydrophobicContact CD2-CD2 4.45Å; L567-F571 HydrophobicContact CD2-CE2 4.17Å; L567-F571 WeakPolarHBondContact O-CB 3.45Å; L567-F571 WeakPolarHBondContact O-CD2 3.37Å; L567-F571 PolarHBondContact O-N 2.93Å
568	R	80.7	Confident	76.8	Confident	53 Å²	53	30.4 Å²	30.4	20%	0.2	16%	0.157	C	C	.	.	H	α-helix	trans	-63.8	-43.4	170.9	179.9	-174	179.9	-178.7	7.5	111.1	D56 Y559 N560 S565 M572 K573	D56-R568 IonicContact OD1-NH1 2.84Å; Y559-R568 VanDerWaalsContact CB-CZ 3.44Å; Y559-R568 WeakPolarHBondContact O-CB 3.38Å; Y559-R568 VanDerWaalsContact O-CD 3.32Å; Y559-R568 WeakPolarHBondContact O-CD 3.24Å; Y559-R568 WeakPolarHBondContact O-CG 3.15Å; N560-R568 WeakPolarHBondContact OD1-CD 3.42Å; N560-R568 PolarHBondContact OD1-NH1 3.05Å; S565-R568 WeakPolarHBondContact O-CB 3.4Å; S565-R568 PolarHBondContact O-N 2.94Å; R568-M572 HydrophobicContact CG-CB 4.17Å; R568-M572 HydrophobicContact CG-SD 4.43Å; R568-M572 CarbonylContact O-C 3.54Å; R568-M572 WeakPolarHBondContact O-CA 3.37Å; R568-M572 WeakPolarHBondContact O-CB 3.38Å; R568-M572 PolarHBondContact O-N 3.08Å; R568-K573 PolarHBondContact O-N 3.17Å
569	D	80.7	Confident	78.1	Confident	45 Å²	45	33.8 Å²	33.8	24%	0.241	18%	0.176	C	C	.	.	H	α-helix	trans	-57.8	-50.1	177.2	-155.2	76.7	0	0	0	110.7	S565 I566 K573 N576	S565-D569 WeakPolarHBondContact O-CB 3.28Å; S565-D569 PolarHBondContact O-N 2.91Å; I566-D569 PolarHBondContact O-N 3.23Å; D569-K573 VanDerWaalsContact OD1-CD 3.24Å; D569-K573 WeakPolarHBondContact OD1-CD 3.29Å; D569-K573 VanDerWaalsContact OD1-CE 3.23Å; D569-K573 WeakPolarHBondContact OD1-CE 3.43Å; D569-K573 IonicContact OD1-NZ 2.71Å; D569-K573 PolarHBondContact OD1-NZ 3.3Å; D569-N576 WeakPolarHBondContact O-CB 3.48Å; D569-N576 PolarHBondContact O-ND2 2.92Å
570	I	89.1	Confident	79.9	Confident	1 Å²	1	32.6 Å²	32.6	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-65.4	-45.3	-179.5	-68.2	162.7	0	0	0	113.1	V511 V524 I566 N576 F582	V511-I570 HydrophobicContact CB-CD1 4.12Å; V511-I570 HydrophobicContact CB-CG1 4.17Å; V511-I570 HydrophobicContact CB-CG2 4.19Å; V511-I570 HydrophobicContact CG1-CG2 4.44Å; V511-I570 HydrophobicContact CG2-CD1 3.67Å; V511-I570 HydrophobicContact CG2-CG1 4.29Å; V524-I570 HydrophobicContact CG1-CD1 4.32Å; V524-I570 HydrophobicContact CG2-CD1 4.38Å; I566-I570 HydrophobicContact CG1-CD1 4.22Å; I566-I570 WeakPolarHBondContact O-CD1 3.36Å; I566-I570 WeakPolarHBondContact O-CG1 3.29Å; I566-I570 PolarHBondContact O-N 3.44Å; I570-N576 PolarHBondContact O-ND2 2.9Å; I570-F582 HydrophobicContact CG2-CD2 3.87Å; I570-F582 HydrophobicContact CG2-CE2 4.21Å
571	F	91.1	Very high	81.7	Confident	3 Å²	3	35.5 Å²	35.5	1%	0.013	19%	0.185	C	C	.	.	H	α-helix	trans	-103.5	-17.2	-168.2	-70.8	-72.7	0	0	0	115.6	F498 V499 K502 L521 L567 F582 F583	F498-F571 HydrophobicContact CD1-CD1 4.18Å; F498-F571 HydrophobicContact CD1-CE1 4.41Å; F498-F571 HydrophobicContact CE1-CD1 4.03Å; F498-F571 HydrophobicContact CE1-CE1 4.29Å; V499-F571 HydrophobicContact CB-CZ 4.36Å; V499-F571 HydrophobicContact CG1-CE2 4.11Å; V499-F571 HydrophobicContact CG1-CZ 4.07Å; V499-F571 HydrophobicContact CG2-CD1 4.09Å; V499-F571 HydrophobicContact CG2-CD2 4Å; V499-F571 HydrophobicContact CG2-CE1 4.07Å; V499-F571 HydrophobicContact CG2-CE2 3.98Å; V499-F571 HydrophobicContact CG2-CG 4.06Å; V499-F571 HydrophobicContact CG2-CZ 4.02Å; K502-F571 HydrophobicContact CB-CE1 4.1Å; K502-F571 HydrophobicContact CG-CE1 4.3Å; L521-F571 HydrophobicContact CD1-CE2 4.22Å; L521-F571 HydrophobicContact CD1-CZ 4Å; L521-F571 HydrophobicContact CD2-CZ 4.41Å; L567-F571 HydrophobicContact CD2-CD2 4.45Å; L567-F571 HydrophobicContact CD2-CE2 4.17Å; L567-F571 WeakPolarHBondContact O-CB 3.45Å; L567-F571 WeakPolarHBondContact O-CD2 3.37Å; L567-F571 PolarHBondContact O-N 2.93Å; F571-F582 HydrophobicContact CD1-CB 4.08Å; F571-F582 AromaticContact CD1-CD2 3.81Å; F571-F582 HydrophobicContact CD1-CD2 3.81Å; F571-F582 HydrophobicContact CD1-CG 4.35Å; F571-F582 AromaticContact CE1-CD2 3.5Å; F571-F582 HydrophobicContact CE1-CD2 3.5Å; F571-F582 HydrophobicContact CE1-CE2 4Å; F571-F582 HydrophobicContact CE1-CG 4.29Å; F571-F582 HydrophobicContact CZ-CD2 4.22Å; F571-F582 HydrophobicContact CZ-CE2 4.39Å; F571-F583 WeakPolarHBondContact O-CA 3.03Å; F571-F583 WeakPolarHBondContact O-CB 3.27Å
572	M	88.6	Confident	83.5	Confident	7 Å²	7	35.4 Å²	35.4	3%	0.034	18%	0.184	C	C	.	.	H	α-helix	trans	-133.7	1.6	-166.8	-59.9	165.7	68.1	0	0	114.7	A487 M490 L495 Y559 P561 R568 L832	A487-M572 WeakPolarHBondContact O-CE 3.35Å; M490-M572 HydrophobicContact CE-CG 4.02Å; L495-M572 HydrophobicContact CD2-SD 4.17Å; Y559-M572 HydrophobicContact CD1-CE 4.38Å; P561-M572 HydrophobicContact CG-SD 4.03Å; R568-M572 HydrophobicContact CG-CB 4.17Å; R568-M572 HydrophobicContact CG-SD 4.43Å; R568-M572 CarbonylContact O-C 3.54Å; R568-M572 WeakPolarHBondContact O-CA 3.37Å; R568-M572 WeakPolarHBondContact O-CB 3.38Å; R568-M572 PolarHBondContact O-N 3.08Å; M572-L832 HydrophobicContact CE-CD2 3.42Å; M572-L832 VanDerWaalsContact CE-CD2 3.42Å; M572-L832 HydrophobicContact SD-CD2 4.34Å
573	K	86.4	Confident	85.2	Confident	51 Å²	51	33.6 Å²	33.6	22%	0.222	18%	0.175	C	C	.	.			trans	-105.7	152.3	170.6	-66.7	-166.1	-162.7	161.8	0	112.2	E55 R568 D569 G580 F583	E55-K573 IonicContact OE2-NZ 3.86Å; R568-K573 PolarHBondContact O-N 3.17Å; D569-K573 VanDerWaalsContact OD1-CD 3.24Å; D569-K573 WeakPolarHBondContact OD1-CD 3.29Å; D569-K573 VanDerWaalsContact OD1-CE 3.23Å; D569-K573 WeakPolarHBondContact OD1-CE 3.43Å; D569-K573 IonicContact OD1-NZ 2.71Å; D569-K573 PolarHBondContact OD1-NZ 3.3Å; K573-G580 WeakPolarHBondContact O-CA 3.33Å; K573-F583 WeakPolarHBondContact O-CB 3.41Å
574	T	90.5	Very high	87.2	Confident	33 Å²	33	31.9 Å²	31.9	20%	0.202	16%	0.157	C	C	.	.	S	Bend	trans	-81.9	-37.6	175.3	51	0	0	0	0	112.7	N579 G580 F583 L606 L619 W622	T574-N579 CarbonylContact O-C 3.58Å; T574-G580 WeakPolarHBondContact O-CA 3.22Å; T574-G580 PolarHBondContact O-N 3.18Å; T574-F583 HydrophobicContact CG2-CD1 3.79Å; T574-F583 HydrophobicContact CG2-CE1 3.75Å; T574-L606 HydrophobicContact CG2-CD2 4.09Å; T574-L619 HydrophobicContact CG2-CD1 3.9Å; T574-W622 HydrophobicContact CG2-CD2 3.7Å; T574-W622 HydrophobicContact CG2-CE3 3.78Å; T574-W622 HydrophobicContact CG2-CG 4.37Å; T574-W622 HydrophobicContact CG2-CH2 3.9Å; T574-W622 HydrophobicContact CG2-CZ2 3.82Å; T574-W622 HydrophobicContact CG2-CZ3 3.88Å
575	D	87.8	Confident	89	Confident	70 Å²	70	32.5 Å²	32.5	37%	0.374	16%	0.16	S	C	.	.	S	Bend	trans	-106.4	108.4	176.3	-168.9	0.4	0	0	0	108.9	R618	D575-R618 IonicContact OD1-NH1 2.73Å; D575-R618 WeakPolarHBondContact OD2-CD 3.4Å; D575-R618 IonicContact OD2-CZ 2.66Å; D575-R618 IonicContact OD2-NE 2.84Å; D575-R618 IonicContact OD2-NH1 3.26Å; D575-R618 PolarHBondContact OD2-NH1 2.74Å
576	N	90.4	Very high	90.3	Very high	14 Å²	14	30.7 Å²	30.7	8%	0.075	15%	0.147	C	C	.	.	S	Bend	trans	-156.6	179.8	179	72.9	17.4	0	0	0	109.6	D569 I570 I578 N579 G580	D569-N576 WeakPolarHBondContact O-CB 3.48Å; D569-N576 PolarHBondContact O-ND2 2.92Å; I570-N576 PolarHBondContact O-ND2 2.9Å; N576-I578 PolarHBondContact O-N 2.75Å; N576-I578 VanDerWaalsContact O-N 3.15Å; N576-I578 WeakPolarHBondContact OD1-CA 3.37Å; N576-I578 WeakPolarHBondContact OD1-CG1 3.4Å; N576-I578 PolarHBondContact OD1-N 2.97Å; N576-N579 PolarHBondContact O-N 2.66Å; N576-N579 PolarHBondContact OD1-N 3.47Å; N576-G580 PolarHBondContact OD1-N 3.3Å
577	Y	92.1	Very high	91.3	Very high	107 Å²	107	28.7 Å²	28.7	42%	0.42	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-30.3	-177.7	-177.3	-89.8	0	0	0	114.7	V510 V511 A513 H518	V510-Y577 HydrophobicContact CB-CE1 4.11Å; V510-Y577 HydrophobicContact CG1-CD1 4.26Å; V510-Y577 HydrophobicContact CG1-CE1 3.44Å; V510-Y577 VanDerWaalsContact CG1-CE1 3.44Å; V511-Y577 WeakPolarHBondContact O-CB 3.34Å; A513-Y577 HydrophobicContact CB-CD2 4.1Å; A513-Y577 HydrophobicContact CB-CE2 4.03Å; H518-Y577 AromaticContact CE1-CE2 3.94Å; H518-Y577 PolarHBondContact CE1-OH 3.19Å; H518-Y577 AromaticContact ND1-CE2 3.76Å; H518-Y577 AromaticContact ND1-CZ 3.61Å; H518-Y577 PolarHBondContact ND1-OH 3.3Å; H518-Y577 VanDerWaalsContact ND1-OH 3.07Å
578	I	94	Very high	92	Very high	12 Å²	12	32.3 Å²	32.3	6%	0.062	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	14.9	175.7	63.2	171.7	0	0	0	113.1	V510 V511 N576 G580 F582	V510-I578 WeakPolarHBondContact O-CG2 3.37Å; V511-I578 HydrophobicContact CG1-CG2 4.39Å; N576-I578 PolarHBondContact O-N 2.75Å; N576-I578 VanDerWaalsContact O-N 3.15Å; N576-I578 WeakPolarHBondContact OD1-CA 3.37Å; N576-I578 WeakPolarHBondContact OD1-CG1 3.4Å; N576-I578 PolarHBondContact OD1-N 2.97Å; I578-G580 VanDerWaalsContact C-N 3.28Å; I578-G580 PolarHBondContact O-N 2.78Å; I578-F582 HydrophobicContact CD1-CB 4.02Å; I578-F582 HydrophobicContact CD1-CD1 3.88Å; I578-F582 HydrophobicContact CD1-CD2 3.55Å; I578-F582 HydrophobicContact CD1-CE1 4.22Å; I578-F582 HydrophobicContact CD1-CE2 3.92Å; I578-F582 HydrophobicContact CD1-CG 3.53Å; I578-F582 HydrophobicContact CD1-CZ 4.25Å
579	N	93.8	Very high	92.8	Very high	87 Å²	87	31.9 Å²	31.9	47%	0.465	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	43.3	-177.2	-47.4	-89	0	0	0	112.7	T574 N576 E581	T574-N579 CarbonylContact O-C 3.58Å; N576-N579 PolarHBondContact O-N 2.66Å; N576-N579 PolarHBondContact OD1-N 3.47Å; N579-E581 PolarHBondContact O-N 3.33Å; N579-E581 VanDerWaalsContact O-N 3.13Å
580	G	94	Very high	93.5	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.1	17.4	171.8	0	0	0	0	0	115.9	K573 T574 N576 I578 F582 F583 A584 W622	K573-G580 WeakPolarHBondContact O-CA 3.33Å; T574-G580 WeakPolarHBondContact O-CA 3.22Å; T574-G580 PolarHBondContact O-N 3.18Å; N576-G580 PolarHBondContact OD1-N 3.3Å; I578-G580 VanDerWaalsContact C-N 3.28Å; I578-G580 PolarHBondContact O-N 2.78Å; G580-F582 PolarHBondContact O-N 3.15Å; G580-F583 PolarHBondContact O-N 3.14Å; G580-A584 PolarHBondContact O-N 3.12Å; G580-W622 PolarHBondContact O-NE1 3.12Å
581	E	96.2	Very high	93.9	Very high	63 Å²	63	30.6 Å²	30.6	29%	0.294	15%	0.146	S	C	.	.	H	α-helix	trans	-58.9	-45.1	-174.5	-170.8	179.4	127.7	0	0	112.6	R509 N579 F583 A584 E585	R509-E581 IonicContact CZ-OE1 3.67Å; R509-E581 VanDerWaalsContact CZ-OE1 3.29Å; R509-E581 IonicContact CZ-OE2 3.07Å; R509-E581 IonicContact NH1-OE1 2.7Å; R509-E581 PolarHBondContact NH1-OE1 3.34Å; R509-E581 IonicContact NH1-OE2 3.23Å; R509-E581 IonicContact NH2-OE1 3.48Å; R509-E581 PolarHBondContact NH2-OE1 2.98Å; R509-E581 IonicContact NH2-OE2 3.51Å; R509-E581 PolarHBondContact NH2-OE2 3.43Å; N579-E581 PolarHBondContact O-N 3.33Å; N579-E581 VanDerWaalsContact O-N 3.13Å; E581-F583 VanDerWaalsContact C-N 3.34Å; E581-F583 PolarHBondContact O-N 2.91Å; E581-A584 WeakPolarHBondContact O-CB 3.12Å; E581-A584 PolarHBondContact O-N 3.02Å; E581-E585 PolarHBondContact O-N 3.05Å
582	F	96.2	Very high	94.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-64.4	-36.3	177	-72.6	-5.5	0	0	0	113	F498 K502 E506 V511 L521 I570 F571 I578 G580 E585 I586	F498-F582 HydrophobicContact CE1-CB 4.15Å; F498-F582 WeakPolarHBondContact CE1-O 3.39Å; F498-F582 HydrophobicContact CZ-CB 4.48Å; F498-F582 VanDerWaalsContact CZ-O 3.3Å; F498-F582 WeakPolarHBondContact CZ-O 3.2Å; K502-F582 HydrophobicContact CB-CE2 4.49Å; K502-F582 HydrophobicContact CB-CZ 4.48Å; K502-F582 HydrophobicContact CD-CD1 3.97Å; K502-F582 HydrophobicContact CD-CE1 3.65Å; K502-F582 HydrophobicContact CD-CZ 3.99Å; K502-F582 HydrophobicContact CG-CE1 4.42Å; K502-F582 HydrophobicContact CG-CZ 4.45Å; E506-F582 WeakPolarHBondContact OE2-CE1 3.3Å; V511-F582 HydrophobicContact CG1-CE2 4Å; V511-F582 HydrophobicContact CG1-CZ 4.42Å; L521-F582 HydrophobicContact CD2-CE2 4.21Å; I570-F582 HydrophobicContact CG2-CD2 3.87Å; I570-F582 HydrophobicContact CG2-CE2 4.21Å; F571-F582 HydrophobicContact CD1-CB 4.08Å; F571-F582 AromaticContact CD1-CD2 3.81Å; F571-F582 HydrophobicContact CD1-CD2 3.81Å; F571-F582 HydrophobicContact CD1-CG 4.35Å; F571-F582 AromaticContact CE1-CD2 3.5Å; F571-F582 HydrophobicContact CE1-CD2 3.5Å; F571-F582 HydrophobicContact CE1-CE2 4Å; F571-F582 HydrophobicContact CE1-CG 4.29Å; F571-F582 HydrophobicContact CZ-CD2 4.22Å; F571-F582 HydrophobicContact CZ-CE2 4.39Å; I578-F582 HydrophobicContact CD1-CB 4.02Å; I578-F582 HydrophobicContact CD1-CD1 3.88Å; I578-F582 HydrophobicContact CD1-CD2 3.55Å; I578-F582 HydrophobicContact CD1-CE1 4.22Å; I578-F582 HydrophobicContact CD1-CE2 3.92Å; I578-F582 HydrophobicContact CD1-CG 3.53Å; I578-F582 HydrophobicContact CD1-CZ 4.25Å; G580-F582 PolarHBondContact O-N 3.15Å; F582-E585 PolarHBondContact O-N 3.42Å; F582-I586 PolarHBondContact O-N 2.87Å; F582-I586 VanDerWaalsContact O-N 3.09Å
583	F	96.2	Very high	94.4	Very high	4 Å²	4	34.3 Å²	34.3	2%	0.018	17%	0.174	C	C	.	.	H	α-helix	trans	-69.1	-40.3	175.9	-178.5	-132	0	0	0	111.4	A486 A487 F571 K573 T574 G580 E581 E585 I586 L587 L606 W622	A486-F583 HydrophobicContact CB-CZ 4.06Å; A487-F583 HydrophobicContact CB-CZ 4.36Å; F571-F583 WeakPolarHBondContact O-CA 3.03Å; F571-F583 WeakPolarHBondContact O-CB 3.27Å; K573-F583 WeakPolarHBondContact O-CB 3.41Å; T574-F583 HydrophobicContact CG2-CD1 3.79Å; T574-F583 HydrophobicContact CG2-CE1 3.75Å; G580-F583 PolarHBondContact O-N 3.14Å; E581-F583 VanDerWaalsContact C-N 3.34Å; E581-F583 PolarHBondContact O-N 2.91Å; F583-E585 VanDerWaalsContact C-N 3.34Å; F583-E585 PolarHBondContact O-N 3.5Å; F583-I586 HydrophobicContact CD2-CG2 4.19Å; F583-I586 WeakPolarHBondContact O-CG2 3.31Å; F583-L587 HydrophobicContact CD1-CD1 4.14Å; F583-L587 HydrophobicContact CD2-CD1 4.23Å; F583-L587 HydrophobicContact CD2-CG 4.26Å; F583-L587 HydrophobicContact CE1-CD1 3.68Å; F583-L587 HydrophobicContact CE2-CD1 3.76Å; F583-L587 HydrophobicContact CE2-CD2 4.37Å; F583-L587 HydrophobicContact CE2-CG 3.82Å; F583-L587 HydrophobicContact CG-CD1 4.4Å; F583-L587 HydrophobicContact CZ-CD1 3.47Å; F583-L587 VanDerWaalsContact CZ-CD1 3.47Å; F583-L587 HydrophobicContact CZ-CD2 4.47Å; F583-L587 HydrophobicContact CZ-CG 4.03Å; F583-L587 WeakPolarHBondContact O-CB 3.45Å; F583-L587 WeakPolarHBondContact O-CG 3.2Å; F583-L587 PolarHBondContact O-N 3.37Å; F583-L606 HydrophobicContact CE1-CD2 4.24Å; F583-W622 HydrophobicContact CD1-CH2 4.28Å; F583-W622 AromaticContact CD1-CZ2 3.68Å; F583-W622 HydrophobicContact CD1-CZ2 3.68Å; F583-W622 HydrophobicContact CE1-CH2 4.21Å; F583-W622 HydrophobicContact CE1-CZ2 4.08Å; F583-W622 HydrophobicContact CG-CZ2 4.49Å
584	A	97.3	Very high	94.8	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-62.6	-38.5	172.9	0	0	0	0	0	112.8	G580 E581 K588 W622 N626 V628	G580-A584 PolarHBondContact O-N 3.12Å; E581-A584 WeakPolarHBondContact O-CB 3.12Å; E581-A584 PolarHBondContact O-N 3.02Å; A584-K588 WeakPolarHBondContact O-CB 3.39Å; A584-K588 WeakPolarHBondContact O-CE 3.23Å; A584-K588 WeakPolarHBondContact O-CG 3.5Å; A584-K588 PolarHBondContact O-N 3.29Å; A584-W622 HydrophobicContact CB-CZ2 3.93Å; A584-N626 HydrophobicContact CB-CB 3.47Å; A584-N626 VanDerWaalsContact CB-CB 3.47Å; A584-V628 HydrophobicContact CB-CG2 3.55Å
585	E	97.3	Very high	94.9	Very high	50 Å²	50	33.6 Å²	33.6	23%	0.234	18%	0.177	C	C	.	.	H	α-helix	trans	-66.6	-46	176.2	-83.1	-175.3	-98.6	0	0	113.5	F498 K502 E581 F582 F583 K588 E589	F498-E585 HydrophobicContact CE2-CB 3.93Å; F498-E585 HydrophobicContact CZ-CB 3.74Å; K502-E585 WeakPolarHBondContact CE-OE1 3.14Å; K502-E585 VanDerWaalsContact CE-OE2 3.3Å; K502-E585 WeakPolarHBondContact CE-OE2 3.33Å; K502-E585 IonicContact NZ-OE1 2.68Å; K502-E585 PolarHBondContact NZ-OE1 2.78Å; K502-E585 IonicContact NZ-OE2 3.47Å; K502-E585 PolarHBondContact NZ-OE2 2.8Å; E581-E585 PolarHBondContact O-N 3.05Å; F582-E585 PolarHBondContact O-N 3.42Å; F583-E585 VanDerWaalsContact C-N 3.34Å; F583-E585 PolarHBondContact O-N 3.5Å; E585-K588 PolarHBondContact O-N 2.72Å; E585-E589 PolarHBondContact O-N 2.93Å
586	I	96.2	Very high	95.1	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-68.4	-36.6	178.4	-165.2	170.4	0	0	0	111.5	M490 L495 F498 F582 F583 K588 E589 V590	M490-I586 HydrophobicContact CB-CD1 4.38Å; M490-I586 HydrophobicContact CE-CD1 4.15Å; M490-I586 HydrophobicContact CE-CG2 4.23Å; M490-I586 HydrophobicContact CG-CD1 3.75Å; M490-I586 HydrophobicContact CG-CG1 4.34Å; M490-I586 HydrophobicContact SD-CD1 4.15Å; M490-I586 HydrophobicContact SD-CG1 4.43Å; M490-I586 HydrophobicContact SD-CG2 4.35Å; L495-I586 HydrophobicContact CB-CD1 4.46Å; L495-I586 HydrophobicContact CD1-CD1 3.97Å; F498-I586 HydrophobicContact CB-CD1 3.68Å; F498-I586 HydrophobicContact CB-CG1 4.27Å; F498-I586 HydrophobicContact CD1-CB 4.08Å; F498-I586 HydrophobicContact CD1-CD1 4.02Å; F498-I586 HydrophobicContact CD1-CG1 4.41Å; F498-I586 HydrophobicContact CD2-CB 3.96Å; F498-I586 HydrophobicContact CD2-CD1 4.37Å; F498-I586 HydrophobicContact CD2-CG1 4.1Å; F498-I586 HydrophobicContact CE1-CB 4.08Å; F498-I586 HydrophobicContact CE2-CB 3.96Å; F498-I586 HydrophobicContact CG-CB 4.02Å; F498-I586 HydrophobicContact CG-CD1 3.77Å; F498-I586 HydrophobicContact CG-CG1 4.01Å; F498-I586 HydrophobicContact CZ-CB 4.02Å; F582-I586 PolarHBondContact O-N 2.87Å; F582-I586 VanDerWaalsContact O-N 3.09Å; F583-I586 HydrophobicContact CD2-CG2 4.19Å; F583-I586 WeakPolarHBondContact O-CG2 3.31Å; I586-K588 VanDerWaalsContact C-N 3.3Å; I586-K588 PolarHBondContact O-N 3.32Å; I586-E589 WeakPolarHBondContact O-CB 3.43Å; I586-E589 PolarHBondContact O-N 3.5Å; I586-E589 VanDerWaalsContact O-N 3.11Å; I586-V590 WeakPolarHBondContact O-CG2 3.48Å; I586-V590 PolarHBondContact O-N 3.16Å
587	L	96.7	Very high	95.2	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-60.1	-38.6	170.5	-82.9	173.9	0	0	0	112.2	A486 S489 F583 V590 M591 F604 W622 V628 W635	A486-L587 HydrophobicContact CB-CD2 4.38Å; S489-L587 WeakPolarHBondContact OG-CD2 3.33Å; F583-L587 HydrophobicContact CD1-CD1 4.14Å; F583-L587 HydrophobicContact CD2-CD1 4.23Å; F583-L587 HydrophobicContact CD2-CG 4.26Å; F583-L587 HydrophobicContact CE1-CD1 3.68Å; F583-L587 HydrophobicContact CE2-CD1 3.76Å; F583-L587 HydrophobicContact CE2-CD2 4.37Å; F583-L587 HydrophobicContact CE2-CG 3.82Å; F583-L587 HydrophobicContact CG-CD1 4.4Å; F583-L587 HydrophobicContact CZ-CD1 3.47Å; F583-L587 VanDerWaalsContact CZ-CD1 3.47Å; F583-L587 HydrophobicContact CZ-CD2 4.47Å; F583-L587 HydrophobicContact CZ-CG 4.03Å; F583-L587 WeakPolarHBondContact O-CB 3.45Å; F583-L587 WeakPolarHBondContact O-CG 3.2Å; F583-L587 PolarHBondContact O-N 3.37Å; L587-V590 PolarHBondContact O-N 3.3Å; L587-M591 HydrophobicContact CB-CE 4.45Å; L587-M591 WeakPolarHBondContact O-CB 3.49Å; L587-M591 VanDerWaalsContact O-CG 3.25Å; L587-M591 WeakPolarHBondContact O-CG 3.42Å; L587-M591 PolarHBondContact O-N 2.84Å; L587-F604 HydrophobicContact CD2-CD2 4.44Å; L587-F604 HydrophobicContact CD2-CE2 4.38Å; L587-W622 HydrophobicContact CD1-CH2 3.66Å; L587-W622 HydrophobicContact CD1-CZ2 4.01Å; L587-V628 HydrophobicContact CB-CG1 4.44Å; L587-V628 HydrophobicContact CD1-CG1 4.49Å; L587-W635 HydrophobicContact CD1-CH2 4.38Å
588	K	97.2	Very high	95	Very high	79 Å²	79	35.2 Å²	35.2	34%	0.343	19%	0.188	S	C	.	.	H	α-helix	trans	-66.2	-34.3	173.4	-76.6	-179.3	-63.6	-170.6	0	112.7	A584 E585 I586 A592 N626	A584-K588 WeakPolarHBondContact O-CB 3.39Å; A584-K588 WeakPolarHBondContact O-CE 3.23Å; A584-K588 WeakPolarHBondContact O-CG 3.5Å; A584-K588 PolarHBondContact O-N 3.29Å; E585-K588 PolarHBondContact O-N 2.72Å; I586-K588 VanDerWaalsContact C-N 3.3Å; I586-K588 PolarHBondContact O-N 3.32Å; K588-A592 WeakPolarHBondContact O-CB 3.33Å; K588-A592 PolarHBondContact O-N 2.78Å; K588-N626 WeakPolarHBondContact CE-O 3.36Å; K588-N626 PolarHBondContact NZ-O 3.35Å
589	E	96.9	Very high	95	Very high	43 Å²	43	35.8 Å²	35.8	20%	0.201	19%	0.19	C	C	.	.	H	α-helix	trans	-62.6	-44.9	169.3	-67.9	-168.1	-176.3	0	0	111.1	H494 R497 K501 E585 I586 M591 A592 D593	H494-E589 IonicContact CD2-OE2 3.48Å; H494-E589 IonicContact CE1-OE2 2.79Å; H494-E589 WeakPolarHBondContact NE2-CB 3.41Å; H494-E589 IonicContact NE2-OE2 3.59Å; H494-E589 PolarHBondContact NE2-OE2 3.24Å; R497-E589 IonicContact NH2-OE2 3.54Å; R497-E589 PolarHBondContact NH2-OE2 3.19Å; R497-E589 VanDerWaalsContact NH2-OE2 3.08Å; K501-E589 IonicContact NZ-OE1 2.73Å; K501-E589 PolarHBondContact NZ-OE1 2.82Å; E585-E589 PolarHBondContact O-N 2.93Å; I586-E589 WeakPolarHBondContact O-CB 3.43Å; I586-E589 PolarHBondContact O-N 3.5Å; I586-E589 VanDerWaalsContact O-N 3.11Å; E589-M591 PolarHBondContact O-N 2.78Å; E589-A592 PolarHBondContact O-N 2.78Å; E589-D593 PolarHBondContact O-N 3.02Å
590	V	96.2	Very high	95.1	Very high	13 Å²	13	32.2 Å²	32.2	8%	0.079	17%	0.17	C	C	.	.	H	α-helix	trans	-64	-40.1	176.6	176.9	0	0	0	0	112.2	M490 I586 L587 A592 D593 L594 F604	M490-V590 HydrophobicContact CB-CG2 3.75Å; I586-V590 WeakPolarHBondContact O-CG2 3.48Å; I586-V590 PolarHBondContact O-N 3.16Å; L587-V590 PolarHBondContact O-N 3.3Å; V590-A592 VanDerWaalsContact C-N 3.34Å; V590-A592 PolarHBondContact O-N 3.48Å; V590-D593 PolarHBondContact O-N 3.36Å; V590-L594 PolarHBondContact O-N 2.77Å; V590-F604 HydrophobicContact CG1-CZ 3.87Å
591	M	96.2	Very high	95.2	Very high	7 Å²	7	32.6 Å²	32.6	3%	0.034	17%	0.172	C	C	.	.	H	α-helix	trans	-66.4	-34.7	177	-74.8	179.8	-166.6	0	0	113.1	L587 E589 A595 F604 V628 V633 W635	L587-M591 HydrophobicContact CB-CE 4.45Å; L587-M591 WeakPolarHBondContact O-CB 3.49Å; L587-M591 VanDerWaalsContact O-CG 3.25Å; L587-M591 WeakPolarHBondContact O-CG 3.42Å; L587-M591 PolarHBondContact O-N 2.84Å; E589-M591 PolarHBondContact O-N 2.78Å; M591-A595 WeakPolarHBondContact O-CB 3.47Å; M591-A595 PolarHBondContact O-N 3.01Å; M591-A595 VanDerWaalsContact O-N 3.09Å; M591-F604 HydrophobicContact CE-CD2 4.21Å; M591-F604 HydrophobicContact CE-CE2 4.21Å; M591-F604 HydrophobicContact CG-CE2 4.42Å; M591-V628 HydrophobicContact CE-CG1 3.8Å; M591-V628 HydrophobicContact SD-CG1 4.39Å; M591-V633 HydrophobicContact CE-CB 4.46Å; M591-V633 HydrophobicContact CE-CG1 4.17Å; M591-V633 HydrophobicContact CE-CG2 4.33Å; M591-V633 HydrophobicContact CG-CG2 3.93Å; M591-W635 HydrophobicContact CE-CH2 3.53Å; M591-W635 HydrophobicContact CE-CZ2 3.59Å
592	A	96.1	Very high	95.3	Very high	55 Å²	55	29.7 Å²	29.7	46%	0.455	16%	0.159	S	C	.	.	H	α-helix	trans	-67.8	-40.3	173.2	0	0	0	0	0	111.2	K588 E589 V590 A595 E596	K588-A592 WeakPolarHBondContact O-CB 3.33Å; K588-A592 PolarHBondContact O-N 2.78Å; E589-A592 PolarHBondContact O-N 2.78Å; V590-A592 VanDerWaalsContact C-N 3.34Å; V590-A592 PolarHBondContact O-N 3.48Å; A592-A595 PolarHBondContact O-N 3.37Å; A592-E596 WeakPolarHBondContact O-CB 3.27Å; A592-E596 PolarHBondContact O-N 2.88Å
593	D	95	Very high	95.3	Very high	33 Å²	33	29.7 Å²	29.7	18%	0.176	16%	0.159	C	C	.	.	H	α-helix	trans	-63.1	-41.1	175.4	-71.7	-20.9	0	0	0	111.8	H494 E589 V590 E596 S597 K838	H494-D593 IonicContact CE1-OD2 3.63Å; H494-D593 IonicContact ND1-OD2 3.52Å; E589-D593 PolarHBondContact O-N 3.02Å; V590-D593 PolarHBondContact O-N 3.36Å; D593-E596 PolarHBondContact O-N 3.18Å; D593-S597 PolarHBondContact O-N 3.45Å; D593-S597 PolarHBondContact O-OG 2.95Å; D593-K838 VanDerWaalsContact CG-NZ 3.28Å; D593-K838 WeakPolarHBondContact OD1-CE 3.2Å; D593-K838 IonicContact OD1-NZ 3.13Å; D593-K838 PolarHBondContact OD1-NZ 2.89Å; D593-K838 WeakPolarHBondContact OD2-CE 3.14Å; D593-K838 IonicContact OD2-NZ 3.76Å
594	L	94.6	Very high	95.4	Very high	26 Å²	26	29.8 Å²	29.8	14%	0.136	16%	0.159	C	C	.	.	H	α-helix	trans	-62.9	-40.1	172.3	-75	172.1	0	0	0	112.9	V590 S597 K598 Q600 A602 F604 H632 V633	V590-L594 PolarHBondContact O-N 2.77Å; L594-S597 PolarHBondContact O-N 3.06Å; L594-K598 PolarHBondContact O-N 3.28Å; L594-Q600 HydrophobicContact CD2-CB 3.96Å; L594-A602 HydrophobicContact CD1-CB 3.87Å; L594-F604 HydrophobicContact CD1-CE2 4.36Å; L594-F604 HydrophobicContact CD1-CZ 3.86Å; L594-H632 HydrophobicContact CB-CB 4.17Å; L594-H632 PolarHBondContact O-ND1 3.01Å; L594-V633 HydrophobicContact CD1-CG2 3.98Å
595	A	92.4	Very high	95.5	Very high	43 Å²	43	30.1 Å²	30.1	36%	0.355	16%	0.161	S	C	.	.	H	α-helix	trans	-68.6	-40	177.9	0	0	0	0	0	112.3	M591 A592 S597 K598	M591-A595 WeakPolarHBondContact O-CB 3.47Å; M591-A595 PolarHBondContact O-N 3.01Å; M591-A595 VanDerWaalsContact O-N 3.09Å; A592-A595 PolarHBondContact O-N 3.37Å; A595-S597 VanDerWaalsContact C-N 3.34Å; A595-K598 PolarHBondContact O-N 3.47Å; A595-K598 VanDerWaalsContact O-N 3.13Å
596	E	93	Very high	95.4	Very high	142 Å²	142	28 Å²	28	66%	0.664	15%	0.151	S	C	*	.	H	α-helix	trans	-58.6	-44.7	171.3	-178	-179.3	-136.9	0	0	111	A592 D593 K598 K838	A592-E596 WeakPolarHBondContact O-CB 3.27Å; A592-E596 PolarHBondContact O-N 2.88Å; D593-E596 PolarHBondContact O-N 3.18Å; E596-K598 PolarHBondContact O-N 3.15Å; E596-K838 IonicContact OE2-NZ 3.87Å; E596-K838 PolarHBondContact OE2-NZ 3.12Å
597	S	91.1	Very high	95.3	Very high	29 Å²	29	29.5 Å²	29.5	20%	0.203	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-13.3	176.5	-71.5	0	0	0	0	114.5	D593 L594 A595 Y599 E839	D593-S597 PolarHBondContact O-N 3.45Å; D593-S597 PolarHBondContact O-OG 2.95Å; L594-S597 PolarHBondContact O-N 3.06Å; A595-S597 VanDerWaalsContact C-N 3.34Å; S597-Y599 PolarHBondContact O-N 3.01Å; S597-E839 PolarHBondContact OG-OE1 3Å; S597-E839 VanDerWaalsContact OG-OE1 3.06Å
598	K	88.8	Confident	95.3	Very high	54 Å²	54	29.6 Å²	29.6	24%	0.235	16%	0.162	C	C	.	.	S	Bend	trans	58.6	-40.9	170.2	179.7	163.9	173.4	-91.7	0	118.8	E225 H366 L594 A595 E596 H632	E225-K598 VanDerWaalsContact CD-CE 3.4Å; E225-K598 VanDerWaalsContact CG-CE 3.44Å; E225-K598 WeakPolarHBondContact OE1-CE 3.47Å; E225-K598 IonicContact OE1-NZ 3.67Å; E225-K598 PolarHBondContact OE1-NZ 2.88Å; H366-K598 VanDerWaalsContact CE1-CE 3.4Å; H366-K598 WeakPolarHBondContact CE1-CE 3.24Å; H366-K598 PolarHBondContact CE1-NZ 2.88Å; H366-K598 PolarHBondContact NE2-NZ 3.22Å; H366-K598 VanDerWaalsContact NE2-NZ 3.12Å; L594-K598 PolarHBondContact O-N 3.28Å; A595-K598 PolarHBondContact O-N 3.47Å; A595-K598 VanDerWaalsContact O-N 3.13Å; E596-K598 PolarHBondContact O-N 3.15Å; K598-H632 PolarHBondContact O-CE1 2.87Å
599	Y	93.8	Very high	95	Very high	23 Å²	23	29 Å²	29	9%	0.09	16%	0.158	C	C	.	.	S	Bend	trans	-99.8	-11.2	-178.8	-57.5	-65	0	0	0	113.1	H366 Y475 N476 R478 K479 S597 H601	H366-Y599 AromaticContact CE1-CE1 3.75Å; Y475-Y599 WeakPolarHBondContact O-CD2 3.44Å; N476-Y599 HydrophobicContact CB-CE2 4.2Å; N476-Y599 VanDerWaalsContact O-CD1 3.32Å; N476-Y599 WeakPolarHBondContact O-CD1 3.49Å; N476-Y599 VanDerWaalsContact O-CE1 3.27Å; N476-Y599 WeakPolarHBondContact O-CE1 3.22Å; N476-Y599 WeakPolarHBondContact OD1-CE2 3.46Å; R478-Y599 WeakPolarHBondContact CA-O 3.26Å; R478-Y599 HydrophobicContact CG-CD1 4.44Å; R478-Y599 VanDerWaalsContact NH1-CE1 3.32Å; K479-Y599 PolarHBondContact N-O 3.19Å; S597-Y599 PolarHBondContact O-N 3.01Å; Y599-H601 PolarHBondContact O-ND1 3.44Å
600	Q	95.1	Very high	94.8	Very high	12 Å²	12	27 Å²	27	6%	0.056	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	137.8	176.4	-71.8	168.5	77.7	0	0	110.8	L594 H632 E839 M842	L594-Q600 HydrophobicContact CD2-CB 3.96Å; Q600-H632 PolarHBondContact O-ND1 2.97Å; Q600-E839 PolarHBondContact NE2-OE1 3.42Å; Q600-M842 HydrophobicContact CG-CG 4.43Å
601	H	96.6	Very high	94.4	Very high	8 Å²	8	31.1 Å²	31.1	4%	0.037	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	158	-177.7	-63.3	68.9	0	0	0	107.7	K479 V480 D481 Y599 H632 F872 W882	K479-H601 PolarHBondContact O-N 2.88Å; V480-H601 CarbonylContact C-O 3.5Å; V480-H601 WeakPolarHBondContact CA-O 3.42Å; V480-H601 HydrophobicContact CG1-CB 4.5Å; V480-H601 HydrophobicContact CG2-CB 4.07Å; D481-H601 PolarHBondContact N-O 3.34Å; Y599-H601 PolarHBondContact O-ND1 3.44Å; H601-H632 CarbonylContact C-O 3.55Å; H601-H632 VanDerWaalsContact CA-O 3.26Å; H601-H632 WeakPolarHBondContact CA-O 3.39Å; H601-H632 WeakPolarHBondContact CB-O 3Å; H601-H632 AromaticContact CD2-ND1 3.88Å; H601-H632 AromaticContact CE1-ND1 3.75Å; H601-H632 AromaticContact NE2-CE1 3.88Å; H601-H632 AromaticContact NE2-ND1 3.61Å; H601-F872 HydrophobicContact CB-CE2 4.12Å; H601-F872 HydrophobicContact CB-CZ 3.95Å; H601-W882 AromaticContact CD2-CH2 3.4Å; H601-W882 WeakPolarHBondContact CD2-CH2 3.27Å; H601-W882 AromaticContact CD2-CZ2 3.59Å; H601-W882 AromaticContact CE1-CZ2 3.91Å; H601-W882 AromaticContact NE2-CH2 3.56Å; H601-W882 AromaticContact NE2-CZ2 3.2Å; H601-W882 WeakPolarHBondContact NE2-CZ2 3.3Å
602	A	97.6	Very high	94.2	Very high	3 Å²	3	36.9 Å²	36.9	3%	0.025	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	152.8	-177.4	0	0	0	0	0	112.8	D481 V484 L594 F604 H632 V633 R634	D481-A602 HydrophobicContact CB-CB 4.32Å; V484-A602 HydrophobicContact CG1-CB 4.16Å; L594-A602 HydrophobicContact CD1-CB 3.87Å; A602-F604 HydrophobicContact CB-CD1 4.05Å; A602-F604 HydrophobicContact CB-CE1 3.65Å; A602-F604 HydrophobicContact CB-CZ 3.94Å; A602-H632 PolarHBondContact N-O 3.03Å; A602-V633 VanDerWaalsContact O-CA 3.32Å; A602-V633 WeakPolarHBondContact O-CA 3.44Å; A602-R634 PolarHBondContact O-N 2.91Å
603	E	98	Very high	94.1	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	87.2	171.3	-63	-167.8	101.8	0	0	109.8	V480 D481 R634 L636 V687 R750 S870 G871 F872	V480-E603 HydrophobicContact CG1-CG 3.92Å; D481-E603 PolarHBondContact O-N 2.87Å; E603-R634 CarbonylContact C-O 3.56Å; E603-R634 VanDerWaalsContact CA-O 3.32Å; E603-R634 WeakPolarHBondContact CA-O 3.46Å; E603-L636 HydrophobicContact CB-CD1 3.64Å; E603-L636 HydrophobicContact CG-CD1 4.44Å; E603-V687 WeakPolarHBondContact OE1-CG2 3.48Å; E603-R750 IonicContact OE1-CZ 3.86Å; E603-R750 IonicContact OE1-NH1 3.8Å; E603-R750 PolarHBondContact OE1-NH1 3.48Å; E603-R750 IonicContact OE1-NH2 3.35Å; E603-R750 PolarHBondContact OE1-NH2 3.1Å; E603-R750 IonicContact OE2-CZ 3.69Å; E603-R750 IonicContact OE2-NH1 2.71Å; E603-R750 PolarHBondContact OE2-NH1 3.38Å; E603-R750 IonicContact OE2-NH2 3.44Å; E603-S870 VanDerWaalsContact OE2-CA 3.29Å; E603-S870 WeakPolarHBondContact OE2-CA 3.4Å; E603-G871 WeakPolarHBondContact OE1-CA 3.5Å; E603-G871 PolarHBondContact OE1-N 3.18Å; E603-F872 HydrophobicContact CG-CE2 4.08Å
604	F	98	Very high	94.1	Very high	5 Å²	5	40.1 Å²	40.1	2%	0.022	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	140.8	-173.8	-69.3	-35.9	0	0	0	112.1	V484 A486 S489 L587 V590 M591 L594 A602 V633 R634 W635 L636	V484-F604 HydrophobicContact CB-CD1 4.35Å; V484-F604 HydrophobicContact CG1-CD1 3.58Å; V484-F604 HydrophobicContact CG1-CE1 3.91Å; V484-F604 HydrophobicContact CG2-CD1 3.92Å; V484-F604 HydrophobicContact CG2-CE1 3.95Å; V484-F604 WeakPolarHBondContact O-CA 3.49Å; A486-F604 HydrophobicContact CB-CB 4.06Å; S489-F604 VanDerWaalsContact CB-CE1 3.47Å; L587-F604 HydrophobicContact CD2-CD2 4.44Å; L587-F604 HydrophobicContact CD2-CE2 4.38Å; V590-F604 HydrophobicContact CG1-CZ 3.87Å; M591-F604 HydrophobicContact CE-CD2 4.21Å; M591-F604 HydrophobicContact CE-CE2 4.21Å; M591-F604 HydrophobicContact CG-CE2 4.42Å; L594-F604 HydrophobicContact CD1-CE2 4.36Å; L594-F604 HydrophobicContact CD1-CZ 3.86Å; A602-F604 HydrophobicContact CB-CD1 4.05Å; A602-F604 HydrophobicContact CB-CE1 3.65Å; A602-F604 HydrophobicContact CB-CZ 3.94Å; F604-V633 HydrophobicContact CB-CG1 4.44Å; F604-V633 HydrophobicContact CD2-CB 4.43Å; F604-V633 HydrophobicContact CD2-CG1 3.52Å; F604-V633 HydrophobicContact CD2-CG2 3.96Å; F604-V633 HydrophobicContact CE2-CG1 4.1Å; F604-V633 HydrophobicContact CE2-CG2 3.64Å; F604-V633 HydrophobicContact CG-CG1 4.23Å; F604-V633 HydrophobicContact CZ-CG2 4.4Å; F604-R634 PolarHBondContact N-O 2.87Å; F604-W635 HydrophobicContact CB-CE3 3.62Å; F604-W635 HydrophobicContact CB-CH2 4.47Å; F604-W635 HydrophobicContact CB-CZ3 3.46Å; F604-W635 VanDerWaalsContact CB-CZ3 3.46Å; F604-W635 HydrophobicContact CD2-CH2 4.22Å; F604-W635 AromaticContact CD2-CZ3 3.97Å; F604-W635 HydrophobicContact CD2-CZ3 3.97Å; F604-W635 HydrophobicContact CG-CZ3 4.21Å; F604-W635 WeakPolarHBondContact O-CA 3.34Å; F604-L636 PolarHBondContact O-N 2.91Å
605	R	98.2	Very high	94.2	Very high	7 Å²	7	39.7 Å²	39.7	3%	0.026	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	127.7	173.5	-59.6	-175.5	177.1	77.1	21.5	113.5	T482 H483 V484 H485 A486 L636 Q638 D690	T482-R605 PolarHBondContact O-NH2 3.27Å; H483-R605 VanDerWaalsContact C-NH1 3.3Å; H483-R605 PolarHBondContact CD2-NH1 2.86Å; H483-R605 PolarHBondContact CD2-NH2 2.76Å; H483-R605 PolarHBondContact NE2-NH1 2.73Å; V484-R605 VanDerWaalsContact N-NH1 3.1Å; V484-R605 PolarHBondContact O-N 2.83Å; H485-R605 WeakPolarHBondContact CE1-CB 3.44Å; H485-R605 VanDerWaalsContact CE1-CD 3.4Å; H485-R605 WeakPolarHBondContact CE1-CD 3.45Å; A486-R605 WeakPolarHBondContact CB-O 3.3Å; A486-R605 PolarHBondContact N-O 3.27Å; R605-L636 WeakPolarHBondContact CA-O 3.36Å; R605-L636 HydrophobicContact CG-CB 4.17Å; R605-Q638 HydrophobicContact CB-CB 4.32Å; R605-Q638 HydrophobicContact CB-CG 4.16Å; R605-Q638 VanDerWaalsContact CB-OE1 3.23Å; R605-D690 IonicContact CZ-OD2 3.28Å; R605-D690 IonicContact NE-OD2 2.67Å; R605-D690 PolarHBondContact NE-OD2 3.33Å; R605-D690 IonicContact NH2-OD2 2.97Å; R605-D690 PolarHBondContact NH2-OD2 2.84Å
606	L	95.9	Very high	94.4	Very high	5 Å²	5	37.7 Å²	37.7	3%	0.026	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	139.5	168.5	-68.8	166.9	0	0	0	109.9	A486 T574 F583 L619 W622 W635 L636 V637 Q638 F682	A486-L606 HydrophobicContact CB-CD2 3.72Å; A486-L606 HydrophobicContact CB-CG 4.25Å; T574-L606 HydrophobicContact CG2-CD2 4.09Å; F583-L606 HydrophobicContact CE1-CD2 4.24Å; L606-L619 HydrophobicContact CB-CD1 4.31Å; L606-L619 HydrophobicContact CB-CD2 4.15Å; L606-L619 HydrophobicContact CD1-CD1 4.18Å; L606-W622 HydrophobicContact CD1-CZ3 3.92Å; L606-W622 HydrophobicContact CD2-CH2 4.21Å; L606-W622 HydrophobicContact CD2-CZ3 4.13Å; L606-W635 HydrophobicContact CD1-CD2 3.74Å; L606-W635 HydrophobicContact CD1-CE3 3.34Å; L606-W635 HydrophobicContact CD1-CG 4.43Å; L606-W635 HydrophobicContact CD1-CH2 4.03Å; L606-W635 HydrophobicContact CD1-CZ2 4.37Å; L606-W635 HydrophobicContact CD1-CZ3 3.51Å; L606-W635 HydrophobicContact CD2-CZ3 4.13Å; L606-W635 HydrophobicContact CG-CD2 4.5Å; L606-W635 HydrophobicContact CG-CE3 3.65Å; L606-W635 HydrophobicContact CG-CZ3 3.68Å; L606-L636 PolarHBondContact N-O 2.96Å; L606-V637 CarbonylContact O-C 3.54Å; L606-V637 VanDerWaalsContact O-CA 3.3Å; L606-V637 WeakPolarHBondContact O-CA 3.44Å; L606-Q638 PolarHBondContact O-N 2.81Å; L606-F682 HydrophobicContact CD1-CZ 4.1Å
607	S	94.3	Very high	94.6	Very high	32 Å²	32	33.1 Å²	33.1	22%	0.224	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	134.6	-175.9	-56.1	0	0	0	0	112.7	Q638	S607-Q638 WeakPolarHBondContact CA-O 3.5Å; S607-Q638 PolarHBondContact OG-NE2 2.77Å
608	I	95.3	Very high	94.9	Very high	3 Å²	3	35.8 Å²	35.8	2%	0.015	15%	0.152	C	C	.	.			trans	-117	125	155.7	-69.5	-68.9	0	0	0	106.5	E615 W616 L619 V637 Q638 V639 P640 I662	I608-E615 HydrophobicContact CD1-CB 3.77Å; I608-E615 WeakPolarHBondContact CD1-O 3.31Å; I608-E615 HydrophobicContact CG2-CB 4.44Å; I608-W616 HydrophobicContact CD1-CD2 4.22Å; I608-W616 HydrophobicContact CD1-CG 4.28Å; I608-W616 HydrophobicContact CG1-CD2 4.1Å; I608-W616 HydrophobicContact CG1-CE3 4.4Å; I608-W616 HydrophobicContact CG1-CZ2 4.3Å; I608-L619 HydrophobicContact CD1-CB 4.24Å; I608-L619 HydrophobicContact CD1-CD2 3.89Å; I608-L619 HydrophobicContact CG1-CD2 4.1Å; I608-V637 HydrophobicContact CB-CG1 3.73Å; I608-V637 HydrophobicContact CG1-CG1 3.43Å; I608-V637 VanDerWaalsContact CG1-CG1 3.43Å; I608-Q638 PolarHBondContact N-O 3.26Å; I608-V639 WeakPolarHBondContact O-CA 3.36Å; I608-P640 WeakPolarHBondContact O-CD 3.23Å; I608-I662 HydrophobicContact CG2-CG1 4.49Å
609	Y	91.5	Very high	95.2	Very high	66 Å²	66	33.5 Å²	33.5	26%	0.259	14%	0.142	S	C	.	.			trans	-92.5	-17.2	-174.3	-62.6	-88.5	0	0	0	112.4	R611 E615 P640 Y646 M658	Y609-R611 VanDerWaalsContact C-N 3.29Å; Y609-R611 PolarHBondContact O-N 2.8Å; Y609-E615 WeakPolarHBondContact CA-OE2 3.46Å; Y609-E615 PolarHBondContact N-OE2 3.22Å; Y609-P640 HydrophobicContact CD1-CB 4.46Å; Y609-P640 HydrophobicContact CD1-CG 3.89Å; Y609-P640 HydrophobicContact CE1-CG 3.93Å; Y609-Y646 VanDerWaalsContact CD1-OH 3.26Å; Y609-Y646 WeakPolarHBondContact CD1-OH 3.47Å; Y609-M658 WeakPolarHBondContact O-CE 3.36Å
610	G	92.4	Very high	95.4	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	14%	0.138	C	C	.	.	S	Bend	trans	72.4	19.8	-179.2	0	0	0	0	0	113.4	E615 F652 N661	G610-E615 PolarHBondContact N-OE2 3.29Å; G610-F652 VanDerWaalsContact O-CZ 3.27Å; G610-F652 WeakPolarHBondContact O-CZ 3.3Å; G610-N661 WeakPolarHBondContact O-CB 3.24Å; G610-N661 PolarHBondContact O-ND2 2.73Å
611	R	89.5	Confident	95.5	Very high	100 Å²	100	36.8 Å²	36.8	38%	0.377	16%	0.158	S	C	.	.	S	Bend	trans	-77	-29.6	178.4	-54.9	171.6	-62.9	175.8	0.1	112.2	Y609 E615 Y646 N661	Y609-R611 VanDerWaalsContact C-N 3.29Å; Y609-R611 PolarHBondContact O-N 2.8Å; R611-E615 VanDerWaalsContact CB-OE1 3.31Å; R611-E615 WeakPolarHBondContact CB-OE1 3.34Å; R611-E615 IonicContact CZ-OE1 3.12Å; R611-E615 PolarHBondContact N-OE1 2.89Å; R611-E615 IonicContact NE-OE1 2.78Å; R611-E615 PolarHBondContact NE-OE1 3.21Å; R611-E615 VanDerWaalsContact NE-OE1 3.09Å; R611-E615 IonicContact NH2-OE1 3.77Å; R611-Y646 HydrophobicContact CG-CD1 4.1Å; R611-Y646 HydrophobicContact CG-CD2 4.02Å; R611-Y646 HydrophobicContact CG-CE1 3.85Å; R611-Y646 HydrophobicContact CG-CE2 3.72Å; R611-Y646 HydrophobicContact CG-CG 4.21Å; R611-N661 VanDerWaalsContact C-ND2 3.31Å; R611-N661 PolarHBondContact O-ND2 2.88Å
612	R	91.6	Very high	95.5	Very high	129 Å²	129	36.9 Å²	36.9	49%	0.487	16%	0.158	S	C	.	.			trans	-145.5	149.7	-178.5	-57.9	167.7	50.9	126.6	0.9	110.6	D614 E615 R618	R612-D614 VanDerWaalsContact C-N 3.28Å; R612-D614 WeakPolarHBondContact CB-OD1 3.49Å; R612-D614 IonicContact CZ-OD1 2.71Å; R612-D614 IonicContact CZ-OD2 3.98Å; R612-D614 IonicContact NE-OD1 2.99Å; R612-D614 PolarHBondContact NE-OD1 2.92Å; R612-D614 IonicContact NE-OD2 3.3Å; R612-D614 VanDerWaalsContact NH2-CG 3.34Å; R612-D614 IonicContact NH2-OD1 3.08Å; R612-D614 PolarHBondContact NH2-OD1 2.84Å; R612-D614 VanDerWaalsContact NH2-OD1 3.13Å; R612-D614 IonicContact NH2-OD2 3.19Å; R612-D614 PolarHBondContact NH2-OD2 3.11Å; R612-D614 PolarHBondContact O-N 2.82Å; R612-E615 HydrophobicContact CB-CG 4.36Å; R612-E615 WeakPolarHBondContact O-CG 3.28Å; R612-E615 PolarHBondContact O-N 3.45Å; R612-R618 VanDerWaalsContact NH2-NH2 3.2Å
613	R	93.3	Very high	95.4	Very high	109 Å²	109	36.7 Å²	36.7	41%	0.411	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-31.3	175.7	-68.4	-166.2	168.1	-151.1	-2.5	114	E615 N661 V664 P665 E668	R613-E615 VanDerWaalsContact C-N 3.26Å; R613-E615 PolarHBondContact O-N 3.46Å; R613-N661 WeakPolarHBondContact CG-OD1 3.2Å; R613-N661 PolarHBondContact N-OD1 3.46Å; R613-V664 VanDerWaalsContact NH1-CG1 3.34Å; R613-P665 HydrophobicContact CB-CG 4.33Å; R613-P665 WeakPolarHBondContact O-CG 3.18Å; R613-E668 IonicContact NH1-OE1 2.71Å; R613-E668 PolarHBondContact NH1-OE1 3.45Å; R613-E668 VanDerWaalsContact NH1-OE1 3.13Å; R613-E668 IonicContact NH1-OE2 2.74Å
614	D	95.4	Very high	95.3	Very high	46 Å²	46	37.8 Å²	37.8	25%	0.246	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	0.6	-176.7	63.2	-41.7	0	0	0	114.3	R612 W616 D617 R618	R612-D614 VanDerWaalsContact C-N 3.28Å; R612-D614 WeakPolarHBondContact CB-OD1 3.49Å; R612-D614 IonicContact CZ-OD1 2.71Å; R612-D614 IonicContact CZ-OD2 3.98Å; R612-D614 IonicContact NE-OD1 2.99Å; R612-D614 PolarHBondContact NE-OD1 2.92Å; R612-D614 IonicContact NE-OD2 3.3Å; R612-D614 VanDerWaalsContact NH2-CG 3.34Å; R612-D614 IonicContact NH2-OD1 3.08Å; R612-D614 PolarHBondContact NH2-OD1 2.84Å; R612-D614 VanDerWaalsContact NH2-OD1 3.13Å; R612-D614 IonicContact NH2-OD2 3.19Å; R612-D614 PolarHBondContact NH2-OD2 3.11Å; R612-D614 PolarHBondContact O-N 2.82Å; D614-W616 VanDerWaalsContact C-N 3.32Å; D614-W616 PolarHBondContact O-N 2.8Å; D614-D617 PolarHBondContact O-N 3.44Å; D614-R618 VanDerWaalsContact O-CG 3.25Å; D614-R618 WeakPolarHBondContact O-CG 3.35Å; D614-R618 PolarHBondContact O-N 2.86Å; D614-R618 IonicContact OD2-CZ 3.73Å; D614-R618 VanDerWaalsContact OD2-CZ 3.26Å; D614-R618 IonicContact OD2-NE 3.92Å; D614-R618 PolarHBondContact OD2-NE 3.39Å; D614-R618 IonicContact OD2-NH2 3.63Å; D614-R618 PolarHBondContact OD2-NH2 3.09Å
615	E	95.6	Very high	95.1	Very high	17 Å²	17	43.6 Å²	43.6	8%	0.079	19%	0.188	C	C	.	.	H	α-helix	trans	-60.8	-39.2	177	-71.1	-173.6	179.4	0	0	112.4	I608 Y609 G610 R611 R612 R613 L619	I608-E615 HydrophobicContact CD1-CB 3.77Å; I608-E615 WeakPolarHBondContact CD1-O 3.31Å; I608-E615 HydrophobicContact CG2-CB 4.44Å; Y609-E615 WeakPolarHBondContact CA-OE2 3.46Å; Y609-E615 PolarHBondContact N-OE2 3.22Å; G610-E615 PolarHBondContact N-OE2 3.29Å; R611-E615 VanDerWaalsContact CB-OE1 3.31Å; R611-E615 WeakPolarHBondContact CB-OE1 3.34Å; R611-E615 IonicContact CZ-OE1 3.12Å; R611-E615 PolarHBondContact N-OE1 2.89Å; R611-E615 IonicContact NE-OE1 2.78Å; R611-E615 PolarHBondContact NE-OE1 3.21Å; R611-E615 VanDerWaalsContact NE-OE1 3.09Å; R611-E615 IonicContact NH2-OE1 3.77Å; R612-E615 HydrophobicContact CB-CG 4.36Å; R612-E615 WeakPolarHBondContact O-CG 3.28Å; R612-E615 PolarHBondContact O-N 3.45Å; R613-E615 VanDerWaalsContact C-N 3.26Å; R613-E615 PolarHBondContact O-N 3.46Å; E615-L619 WeakPolarHBondContact O-CB 3.4Å; E615-L619 PolarHBondContact O-N 2.86Å
616	W	97.5	Very high	95	Very high	1 Å²	1	44.1 Å²	44.1	0%	0.004	19%	0.191	C	C	.	.	H	α-helix	trans	-65.7	-44.1	177.1	-85.6	110.9	0	0	0	112.9	I608 D614 L619 A620 V637 I662 P665 L666 L679 F682 L683 L689	I608-W616 HydrophobicContact CD1-CD2 4.22Å; I608-W616 HydrophobicContact CD1-CG 4.28Å; I608-W616 HydrophobicContact CG1-CD2 4.1Å; I608-W616 HydrophobicContact CG1-CE3 4.4Å; I608-W616 HydrophobicContact CG1-CZ2 4.3Å; D614-W616 VanDerWaalsContact C-N 3.32Å; D614-W616 PolarHBondContact O-N 2.8Å; W616-L619 PolarHBondContact O-N 2.92Å; W616-A620 WeakPolarHBondContact O-CB 3.28Å; W616-A620 PolarHBondContact O-N 2.94Å; W616-V637 HydrophobicContact CH2-CB 3.68Å; W616-V637 HydrophobicContact CH2-CG1 3.66Å; W616-V637 HydrophobicContact CH2-CG2 3.56Å; W616-V637 HydrophobicContact CZ2-CB 4.32Å; W616-V637 HydrophobicContact CZ2-CG1 3.87Å; W616-V637 HydrophobicContact CZ3-CB 4.34Å; W616-V637 HydrophobicContact CZ3-CG1 4.32Å; W616-V637 HydrophobicContact CZ3-CG2 3.71Å; W616-I662 PolarHBondContact NE1-O 2.59Å; W616-P665 HydrophobicContact CB-CB 4.31Å; W616-P665 HydrophobicContact CG-CB 4.43Å; W616-L666 HydrophobicContact CD2-CD2 3.93Å; W616-L666 HydrophobicContact CE3-CD2 4.16Å; W616-L666 HydrophobicContact CH2-CD1 4.39Å; W616-L666 HydrophobicContact CH2-CD2 3.96Å; W616-L666 HydrophobicContact CZ2-CD1 3.74Å; W616-L666 HydrophobicContact CZ2-CD2 3.76Å; W616-L666 HydrophobicContact CZ2-CG 4.06Å; W616-L666 HydrophobicContact CZ3-CD2 4.16Å; W616-L679 HydrophobicContact CB-CD1 3.98Å; W616-L679 HydrophobicContact CB-CD2 3.92Å; W616-L679 HydrophobicContact CD2-CD1 4.26Å; W616-L679 HydrophobicContact CE3-CD1 3.63Å; W616-L679 HydrophobicContact CG-CD1 4.45Å; W616-L679 HydrophobicContact CZ3-CD1 4.42Å; W616-F682 HydrophobicContact CZ3-CE1 4.48Å; W616-L683 HydrophobicContact CE3-CD2 4.32Å; W616-L683 HydrophobicContact CH2-CD2 4.27Å; W616-L683 HydrophobicContact CZ3-CD2 3.71Å; W616-L689 HydrophobicContact CH2-CD2 4.35Å; W616-L689 HydrophobicContact CZ2-CD2 4.41Å
617	D	97.5	Very high	94.9	Very high	46 Å²	46	51.1 Å²	51.1	25%	0.246	22%	0.224	C	C	.	.	H	α-helix	trans	-66.1	-42.3	178.6	-72.9	-53.1	0	0	0	111.6	D614 L619 A620 E621 H676	D614-D617 PolarHBondContact O-N 3.44Å; D617-L619 PolarHBondContact O-N 3.06Å; D617-A620 PolarHBondContact O-N 3.16Å; D617-E621 WeakPolarHBondContact O-CB 3.36Å; D617-E621 PolarHBondContact O-N 3.34Å; D617-H676 VanDerWaalsContact CG-ND1 3.28Å; D617-H676 WeakPolarHBondContact OD1-CB 3.32Å; D617-H676 IonicContact OD1-CG 3.29Å; D617-H676 IonicContact OD1-ND1 3.86Å; D617-H676 PolarHBondContact OD1-ND1 3.46Å; D617-H676 IonicContact OD2-CE1 2.71Å; D617-H676 PolarHBondContact OD2-CE1 2.76Å; D617-H676 IonicContact OD2-ND1 3.78Å; D617-H676 PolarHBondContact OD2-ND1 2.93Å
618	R	96.3	Very high	94.9	Very high	86 Å²	86	49.6 Å²	49.6	33%	0.325	21%	0.213	S	C	.	.	H	α-helix	trans	-60.1	-44.1	174	-70.9	171.1	-172.8	-131.3	-5.4	112.2	D575 R612 D614 A620 E621 W622	D575-R618 IonicContact OD1-NH1 2.73Å; D575-R618 WeakPolarHBondContact OD2-CD 3.4Å; D575-R618 IonicContact OD2-CZ 2.66Å; D575-R618 IonicContact OD2-NE 2.84Å; D575-R618 IonicContact OD2-NH1 3.26Å; D575-R618 PolarHBondContact OD2-NH1 2.74Å; R612-R618 VanDerWaalsContact NH2-NH2 3.2Å; D614-R618 VanDerWaalsContact O-CG 3.25Å; D614-R618 WeakPolarHBondContact O-CG 3.35Å; D614-R618 PolarHBondContact O-N 2.86Å; D614-R618 IonicContact OD2-CZ 3.73Å; D614-R618 VanDerWaalsContact OD2-CZ 3.26Å; D614-R618 IonicContact OD2-NE 3.92Å; D614-R618 PolarHBondContact OD2-NE 3.39Å; D614-R618 IonicContact OD2-NH2 3.63Å; D614-R618 PolarHBondContact OD2-NH2 3.09Å; R618-A620 VanDerWaalsContact C-N 3.33Å; R618-A620 PolarHBondContact O-N 3.38Å; R618-E621 PolarHBondContact O-N 2.84Å; R618-W622 WeakPolarHBondContact O-CB 3.42Å; R618-W622 PolarHBondContact O-N 2.74Å
619	L	96.6	Very high	94.8	Very high	5 Å²	5	51.1 Å²	51.1	3%	0.026	22%	0.22	C	C	.	.	H	α-helix	trans	-63.9	-41.2	179.1	-173.6	64.2	0	0	0	111.3	T574 L606 I608 E615 W616 D617 W622 A623 V637 F682	T574-L619 HydrophobicContact CG2-CD1 3.9Å; L606-L619 HydrophobicContact CB-CD1 4.31Å; L606-L619 HydrophobicContact CB-CD2 4.15Å; L606-L619 HydrophobicContact CD1-CD1 4.18Å; I608-L619 HydrophobicContact CD1-CB 4.24Å; I608-L619 HydrophobicContact CD1-CD2 3.89Å; I608-L619 HydrophobicContact CG1-CD2 4.1Å; E615-L619 WeakPolarHBondContact O-CB 3.4Å; E615-L619 PolarHBondContact O-N 2.86Å; W616-L619 PolarHBondContact O-N 2.92Å; D617-L619 PolarHBondContact O-N 3.06Å; L619-W622 HydrophobicContact CD1-CE3 4.04Å; L619-W622 HydrophobicContact CD1-CZ3 4.43Å; L619-A623 WeakPolarHBondContact O-CB 3.43Å; L619-A623 PolarHBondContact O-N 2.78Å; L619-V637 HydrophobicContact CD2-CG2 4.46Å; L619-F682 HydrophobicContact CD2-CE1 4.07Å; L619-F682 HydrophobicContact CD2-CZ 4.33Å; L619-F682 HydrophobicContact CG-CE1 4.23Å; L619-F682 HydrophobicContact CG-CZ 4.36Å
620	A	97.2	Very high	94.9	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-69.1	-41.3	176.4	0	0	0	0	0	112.6	W616 D617 R618 A623 I624 Q678 L679 F682	W616-A620 WeakPolarHBondContact O-CB 3.28Å; W616-A620 PolarHBondContact O-N 2.94Å; D617-A620 PolarHBondContact O-N 3.16Å; R618-A620 VanDerWaalsContact C-N 3.33Å; R618-A620 PolarHBondContact O-N 3.38Å; A620-A623 PolarHBondContact O-N 2.93Å; A620-I624 WeakPolarHBondContact O-CB 3.44Å; A620-I624 WeakPolarHBondContact O-CG1 3.31Å; A620-I624 PolarHBondContact O-N 2.89Å; A620-Q678 HydrophobicContact CB-CB 4.29Å; A620-L679 HydrophobicContact CB-CB 4.19Å; A620-L679 HydrophobicContact CB-CD1 4.21Å; A620-F682 HydrophobicContact CB-CB 3.72Å; A620-F682 HydrophobicContact CB-CD1 4.2Å; A620-F682 HydrophobicContact CB-CG 4.14Å
621	E	96.8	Very high	94.8	Very high	104 Å²	104	50.9 Å²	50.9	49%	0.486	22%	0.223	S	C	.	.	H	α-helix	trans	-61	-47.2	173.5	-172.3	-176.3	167.8	0	0	110.7	D617 R618 A623 I624 K625	D617-E621 WeakPolarHBondContact O-CB 3.36Å; D617-E621 PolarHBondContact O-N 3.34Å; R618-E621 PolarHBondContact O-N 2.84Å; E621-A623 PolarHBondContact O-N 3.22Å; E621-I624 PolarHBondContact O-N 3.49Å; E621-K625 WeakPolarHBondContact O-CB 3.5Å; E621-K625 PolarHBondContact O-N 2.8Å
622	W	96.9	Very high	95	Very high	10 Å²	10	47.6 Å²	47.6	4%	0.038	21%	0.212	C	C	.	.	H	α-helix	trans	-55	-48.7	175.5	167.5	83.8	0	0	0	112	T574 G580 F583 A584 L587 L606 R618 L619 N626 V628	T574-W622 HydrophobicContact CG2-CD2 3.7Å; T574-W622 HydrophobicContact CG2-CE3 3.78Å; T574-W622 HydrophobicContact CG2-CG 4.37Å; T574-W622 HydrophobicContact CG2-CH2 3.9Å; T574-W622 HydrophobicContact CG2-CZ2 3.82Å; T574-W622 HydrophobicContact CG2-CZ3 3.88Å; G580-W622 PolarHBondContact O-NE1 3.12Å; F583-W622 HydrophobicContact CD1-CH2 4.28Å; F583-W622 AromaticContact CD1-CZ2 3.68Å; F583-W622 HydrophobicContact CD1-CZ2 3.68Å; F583-W622 HydrophobicContact CE1-CH2 4.21Å; F583-W622 HydrophobicContact CE1-CZ2 4.08Å; F583-W622 HydrophobicContact CG-CZ2 4.49Å; A584-W622 HydrophobicContact CB-CZ2 3.93Å; L587-W622 HydrophobicContact CD1-CH2 3.66Å; L587-W622 HydrophobicContact CD1-CZ2 4.01Å; L606-W622 HydrophobicContact CD1-CZ3 3.92Å; L606-W622 HydrophobicContact CD2-CH2 4.21Å; L606-W622 HydrophobicContact CD2-CZ3 4.13Å; R618-W622 WeakPolarHBondContact O-CB 3.42Å; R618-W622 PolarHBondContact O-N 2.74Å; L619-W622 HydrophobicContact CD1-CE3 4.04Å; L619-W622 HydrophobicContact CD1-CZ3 4.43Å; W622-N626 WeakPolarHBondContact O-CB 3.36Å; W622-N626 PolarHBondContact O-N 2.74Å; W622-N626 PolarHBondContact O-ND2 2.83Å; W622-V628 HydrophobicContact CH2-CB 4.47Å; W622-V628 HydrophobicContact CH2-CG1 4.03Å; W622-V628 HydrophobicContact CH2-CG2 4.31Å; W622-V628 HydrophobicContact CZ2-CG2 4.26Å
623	A	96.2	Very high	95.2	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-64.5	-42.1	-178.1	0	0	0	0	0	112.2	L619 A620 E621 E627 V628 F682	L619-A623 WeakPolarHBondContact O-CB 3.43Å; L619-A623 PolarHBondContact O-N 2.78Å; A620-A623 PolarHBondContact O-N 2.93Å; E621-A623 PolarHBondContact O-N 3.22Å; A623-E627 PolarHBondContact O-N 2.7Å; A623-V628 PolarHBondContact O-N 2.94Å; A623-F682 HydrophobicContact CB-CD2 3.61Å; A623-F682 HydrophobicContact CB-CE2 3.74Å
624	I	95	Very high	95.3	Very high	22 Å²	22	37.3 Å²	37.3	11%	0.113	17%	0.173	C	C	.	.	H	α-helix	trans	-79.5	-45.8	-175.5	-65.3	178.8	0	0	0	111.4	F377 A620 E621 N626 E627 Q678 R681	F377-I624 HydrophobicContact CB-CD1 4.43Å; F377-I624 HydrophobicContact CB-CG1 4.29Å; F377-I624 HydrophobicContact CB-CG2 4.22Å; F377-I624 HydrophobicContact CD1-CD1 4.09Å; F377-I624 HydrophobicContact CD1-CG1 3.68Å; F377-I624 HydrophobicContact CD2-CB 4.37Å; F377-I624 HydrophobicContact CD2-CG1 4.07Å; F377-I624 HydrophobicContact CD2-CG2 4.27Å; F377-I624 HydrophobicContact CE1-CG1 3.93Å; F377-I624 HydrophobicContact CE2-CG1 4.3Å; F377-I624 HydrophobicContact CG-CB 4.43Å; F377-I624 HydrophobicContact CG-CD1 4.29Å; F377-I624 HydrophobicContact CG-CG1 3.75Å; F377-I624 HydrophobicContact CG-CG2 4.28Å; F377-I624 HydrophobicContact CZ-CG1 4.23Å; A620-I624 WeakPolarHBondContact O-CB 3.44Å; A620-I624 WeakPolarHBondContact O-CG1 3.31Å; A620-I624 PolarHBondContact O-N 2.89Å; E621-I624 PolarHBondContact O-N 3.49Å; I624-N626 VanDerWaalsContact C-N 3.25Å; I624-N626 PolarHBondContact O-N 2.71Å; I624-E627 PolarHBondContact O-N 2.93Å; I624-Q678 HydrophobicContact CD1-CB 3.97Å; I624-Q678 VanDerWaalsContact CD1-O 3.26Å; I624-Q678 WeakPolarHBondContact CD1-O 3.45Å; I624-Q678 VanDerWaalsContact CD1-OE1 3.27Å; I624-R681 HydrophobicContact CD1-CB 3.53Å
625	K	95.3	Very high	95.4	Very high	127 Å²	127	35.3 Å²	35.3	55%	0.552	16%	0.162	S	C	*	.	H	α-helix	trans	-60.2	-34.9	179.5	-178.6	-180	177.7	178.9	0	112.7	E621	E621-K625 WeakPolarHBondContact O-CB 3.5Å; E621-K625 PolarHBondContact O-N 2.8Å
626	N	95.4	Very high	95.5	Very high	19 Å²	19	34.5 Å²	34.5	10%	0.102	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	5.6	178.2	-62.9	-73.5	0	0	0	113.5	A584 K588 W622 I624 V628	A584-N626 HydrophobicContact CB-CB 3.47Å; A584-N626 VanDerWaalsContact CB-CB 3.47Å; K588-N626 WeakPolarHBondContact CE-O 3.36Å; K588-N626 PolarHBondContact NZ-O 3.35Å; W622-N626 WeakPolarHBondContact O-CB 3.36Å; W622-N626 PolarHBondContact O-N 2.74Å; W622-N626 PolarHBondContact O-ND2 2.83Å; I624-N626 VanDerWaalsContact C-N 3.25Å; I624-N626 PolarHBondContact O-N 2.71Å; N626-V628 VanDerWaalsContact C-N 3.34Å; N626-V628 HydrophobicContact CB-CG2 3.68Å; N626-V628 PolarHBondContact O-N 3.19Å
627	E	94.1	Very high	95.6	Very high	151 Å²	151	34.5 Å²	34.5	71%	0.706	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.2	44.3	-178.1	-59.1	-174.1	140	0	0	114	A623 I624 H629	A623-E627 PolarHBondContact O-N 2.7Å; I624-E627 PolarHBondContact O-N 2.93Å; E627-H629 PolarHBondContact O-N 2.87Å
628	V	94.6	Very high	95.5	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	15%	0.151	C	C	.	.			trans	-83.7	79.8	-175.1	-164.6	0	0	0	0	110.9	A584 L587 M591 W622 A623 N626 W635	A584-V628 HydrophobicContact CB-CG2 3.55Å; L587-V628 HydrophobicContact CB-CG1 4.44Å; L587-V628 HydrophobicContact CD1-CG1 4.49Å; M591-V628 HydrophobicContact CE-CG1 3.8Å; M591-V628 HydrophobicContact SD-CG1 4.39Å; W622-V628 HydrophobicContact CH2-CB 4.47Å; W622-V628 HydrophobicContact CH2-CG1 4.03Å; W622-V628 HydrophobicContact CH2-CG2 4.31Å; W622-V628 HydrophobicContact CZ2-CG2 4.26Å; A623-V628 PolarHBondContact O-N 2.94Å; N626-V628 VanDerWaalsContact C-N 3.34Å; N626-V628 HydrophobicContact CB-CG2 3.68Å; N626-V628 PolarHBondContact O-N 3.19Å; V628-W635 HydrophobicContact CG1-CH2 4.22Å; V628-W635 HydrophobicContact CG1-CZ2 4Å
629	H	92.8	Very high	95.5	Very high	35 Å²	35	29.1 Å²	29.1	16%	0.162	14%	0.136	C	C	.	.			trans	-143.5	145.9	177.5	164.8	-81.6	0	0	0	112.1	P376 F377 E627 H631 F685	P376-H629 HydrophobicContact CB-CB 4.41Å; P376-H629 VanDerWaalsContact CB-CD2 3.5Å; P376-H629 WeakPolarHBondContact CB-CD2 3.45Å; P376-H629 HydrophobicContact CG-CB 3.84Å; P376-H629 VanDerWaalsContact CG-CG 3.45Å; P376-H629 WeakPolarHBondContact CG-ND1 3.37Å; F377-H629 HydrophobicContact CE2-CB 4.05Å; F377-H629 HydrophobicContact CZ-CB 3.8Å; E627-H629 PolarHBondContact O-N 2.87Å; H629-H631 AromaticContact CE1-CE1 3.48Å; H629-H631 PolarHBondContact CE1-CE1 2.91Å; H629-H631 VanDerWaalsContact CE1-CE1 3.48Å; H629-H631 AromaticContact CE1-ND1 3.59Å; H629-H631 AromaticContact CE1-NE2 3.84Å; H629-H631 AromaticContact NE2-ND1 3.96Å; H629-F685 AromaticContact CD2-CD1 3.64Å; H629-F685 AromaticContact CD2-CE1 3.54Å; H629-F685 AromaticContact CD2-CZ 4Å; H629-F685 AromaticContact NE2-CD1 3.83Å; H629-F685 AromaticContact NE2-CE1 3.46Å; H629-F685 WeakPolarHBondContact NE2-CE1 3.44Å
630	S	92.9	Very high	95.4	Very high	15 Å²	15	29.4 Å²	29.4	11%	0.105	14%	0.138	C	C	.	.			trans	-145.4	145.8	163.9	175.5	0	0	0	0	110.7	H632 V633	S630-H632 PolarHBondContact O-N 2.56Å; S630-H632 PolarHBondContact OG-N 3.31Å; S630-H632 VanDerWaalsContact OG-N 3.13Å; S630-V633 PolarHBondContact O-N 2.67Å; S630-V633 VanDerWaalsContact O-O 3.12Å
631	H	90.5	Very high	95.2	Very high	46 Å²	46	30 Å²	30	21%	0.213	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-18.5	171.4	-59.1	-65.1	0	0	0	112.6	L372 E373 H629 V633 F872 M878	L372-H631 HydrophobicContact CD2-CB 4.27Å; E373-H631 PolarHBondContact N-CE1 3.31Å; E373-H631 PolarHBondContact O-CE1 2.51Å; H629-H631 AromaticContact CE1-CE1 3.48Å; H629-H631 PolarHBondContact CE1-CE1 2.91Å; H629-H631 VanDerWaalsContact CE1-CE1 3.48Å; H629-H631 AromaticContact CE1-ND1 3.59Å; H629-H631 AromaticContact CE1-NE2 3.84Å; H629-H631 AromaticContact NE2-ND1 3.96Å; H631-V633 VanDerWaalsContact C-N 3.33Å; H631-F872 WeakPolarHBondContact O-CE1 3.27Å; H631-M878 HydrophobicContact CB-CE 4.33Å
632	H	93.5	Very high	94.9	Very high	32 Å²	32	26 Å²	26	15%	0.148	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-5.7	175.2	-69.1	-103	0	0	0	114	L594 K598 Q600 H601 A602 S630 F872	L594-H632 HydrophobicContact CB-CB 4.17Å; L594-H632 PolarHBondContact O-ND1 3.01Å; K598-H632 PolarHBondContact O-CE1 2.87Å; Q600-H632 PolarHBondContact O-ND1 2.97Å; H601-H632 CarbonylContact C-O 3.55Å; H601-H632 VanDerWaalsContact CA-O 3.26Å; H601-H632 WeakPolarHBondContact CA-O 3.39Å; H601-H632 WeakPolarHBondContact CB-O 3Å; H601-H632 AromaticContact CD2-ND1 3.88Å; H601-H632 AromaticContact CE1-ND1 3.75Å; H601-H632 AromaticContact NE2-CE1 3.88Å; H601-H632 AromaticContact NE2-ND1 3.61Å; A602-H632 PolarHBondContact N-O 3.03Å; S630-H632 PolarHBondContact O-N 2.56Å; S630-H632 PolarHBondContact OG-N 3.31Å; S630-H632 VanDerWaalsContact OG-N 3.13Å; H632-F872 WeakPolarHBondContact O-CZ 3.46Å
633	V	95.6	Very high	94.6	Very high	3 Å²	3	25.6 Å²	25.6	2%	0.018	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	138.9	-173.6	174	0	0	0	0	111.8	M591 L594 A602 F604 S630 H631 W635	M591-V633 HydrophobicContact CE-CB 4.46Å; M591-V633 HydrophobicContact CE-CG1 4.17Å; M591-V633 HydrophobicContact CE-CG2 4.33Å; M591-V633 HydrophobicContact CG-CG2 3.93Å; L594-V633 HydrophobicContact CD1-CG2 3.98Å; A602-V633 VanDerWaalsContact O-CA 3.32Å; A602-V633 WeakPolarHBondContact O-CA 3.44Å; F604-V633 HydrophobicContact CB-CG1 4.44Å; F604-V633 HydrophobicContact CD2-CB 4.43Å; F604-V633 HydrophobicContact CD2-CG1 3.52Å; F604-V633 HydrophobicContact CD2-CG2 3.96Å; F604-V633 HydrophobicContact CE2-CG1 4.1Å; F604-V633 HydrophobicContact CE2-CG2 3.64Å; F604-V633 HydrophobicContact CG-CG1 4.23Å; F604-V633 HydrophobicContact CZ-CG2 4.4Å; S630-V633 PolarHBondContact O-N 2.67Å; S630-V633 VanDerWaalsContact O-O 3.12Å; H631-V633 VanDerWaalsContact C-N 3.33Å; V633-W635 HydrophobicContact CG1-CD2 4.41Å; V633-W635 HydrophobicContact CG1-CZ2 4.33Å
634	R	95.8	Very high	94.1	Very high	19 Å²	19	27.1 Å²	27.1	7%	0.072	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	164.2	159.9	-67.3	-64.2	178.2	-81.6	-2.7	109.9	A602 E603 F604 V687 F872	A602-R634 PolarHBondContact O-N 2.91Å; E603-R634 CarbonylContact C-O 3.56Å; E603-R634 VanDerWaalsContact CA-O 3.32Å; E603-R634 WeakPolarHBondContact CA-O 3.46Å; F604-R634 PolarHBondContact N-O 2.87Å; R634-V687 HydrophobicContact CB-CG1 3.87Å; R634-V687 HydrophobicContact CB-CG2 3.88Å; R634-V687 HydrophobicContact CG-CG1 3.98Å; R634-F872 HydrophobicContact CB-CZ 4.38Å; R634-F872 HydrophobicContact CG-CD1 3.9Å; R634-F872 HydrophobicContact CG-CD2 4.39Å; R634-F872 HydrophobicContact CG-CE1 3.72Å; R634-F872 HydrophobicContact CG-CE2 4.21Å; R634-F872 HydrophobicContact CG-CG 4.24Å; R634-F872 HydrophobicContact CG-CZ 3.88Å
635	W	97.5	Very high	93.6	Very high	4 Å²	4	26.5 Å²	26.5	2%	0.015	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	132.8	-175.8	-58.2	109.3	0	0	0	111.8	A486 L587 M591 F604 L606 V628 V633 F682 F685 V686 V687	A486-W635 HydrophobicContact CB-CZ3 4.16Å; L587-W635 HydrophobicContact CD1-CH2 4.38Å; M591-W635 HydrophobicContact CE-CH2 3.53Å; M591-W635 HydrophobicContact CE-CZ2 3.59Å; F604-W635 HydrophobicContact CB-CE3 3.62Å; F604-W635 HydrophobicContact CB-CH2 4.47Å; F604-W635 HydrophobicContact CB-CZ3 3.46Å; F604-W635 VanDerWaalsContact CB-CZ3 3.46Å; F604-W635 HydrophobicContact CD2-CH2 4.22Å; F604-W635 AromaticContact CD2-CZ3 3.97Å; F604-W635 HydrophobicContact CD2-CZ3 3.97Å; F604-W635 HydrophobicContact CG-CZ3 4.21Å; F604-W635 WeakPolarHBondContact O-CA 3.34Å; L606-W635 HydrophobicContact CD1-CD2 3.74Å; L606-W635 HydrophobicContact CD1-CE3 3.34Å; L606-W635 HydrophobicContact CD1-CG 4.43Å; L606-W635 HydrophobicContact CD1-CH2 4.03Å; L606-W635 HydrophobicContact CD1-CZ2 4.37Å; L606-W635 HydrophobicContact CD1-CZ3 3.51Å; L606-W635 HydrophobicContact CD2-CZ3 4.13Å; L606-W635 HydrophobicContact CG-CD2 4.5Å; L606-W635 HydrophobicContact CG-CE3 3.65Å; L606-W635 HydrophobicContact CG-CZ3 3.68Å; V628-W635 HydrophobicContact CG1-CH2 4.22Å; V628-W635 HydrophobicContact CG1-CZ2 4Å; V633-W635 HydrophobicContact CG1-CD2 4.41Å; V633-W635 HydrophobicContact CG1-CZ2 4.33Å; W635-F682 AromaticContact CD1-CE2 3.81Å; W635-F682 HydrophobicContact CG-CE2 4.29Å; W635-F682 HydrophobicContact CG-CZ 4.33Å; W635-F682 AromaticContact NE1-CE2 3.94Å; W635-F685 PolarHBondContact N-O 3.3Å; W635-V686 HydrophobicContact CB-CG2 4.14Å; W635-V686 CarbonylContact O-C 3.59Å; W635-V686 WeakPolarHBondContact O-CA 3.44Å; W635-V687 WeakPolarHBondContact O-CG2 3.3Å; W635-V687 PolarHBondContact O-N 3.35Å
636	L	98.2	Very high	93	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	147	155.1	-75.2	72.7	0	0	0	108	E603 F604 R605 L606 V687 G688 R750	E603-L636 HydrophobicContact CB-CD1 3.64Å; E603-L636 HydrophobicContact CG-CD1 4.44Å; F604-L636 PolarHBondContact O-N 2.91Å; R605-L636 WeakPolarHBondContact CA-O 3.36Å; R605-L636 HydrophobicContact CG-CB 4.17Å; L606-L636 PolarHBondContact N-O 2.96Å; L636-V687 HydrophobicContact CD1-CG2 3.93Å; L636-G688 VanDerWaalsContact CA-O 3.32Å; L636-G688 WeakPolarHBondContact CA-O 3.36Å; L636-R750 HydrophobicContact CD2-CB 4.14Å
637	V	98.2	Very high	92.4	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	118.6	169.9	174	0	0	0	0	109.6	L606 I608 W616 L619 V686 G688 L689 D690	L606-V637 CarbonylContact O-C 3.54Å; L606-V637 VanDerWaalsContact O-CA 3.3Å; L606-V637 WeakPolarHBondContact O-CA 3.44Å; I608-V637 HydrophobicContact CB-CG1 3.73Å; I608-V637 HydrophobicContact CG1-CG1 3.43Å; I608-V637 VanDerWaalsContact CG1-CG1 3.43Å; W616-V637 HydrophobicContact CH2-CB 3.68Å; W616-V637 HydrophobicContact CH2-CG1 3.66Å; W616-V637 HydrophobicContact CH2-CG2 3.56Å; W616-V637 HydrophobicContact CZ2-CB 4.32Å; W616-V637 HydrophobicContact CZ2-CG1 3.87Å; W616-V637 HydrophobicContact CZ3-CB 4.34Å; W616-V637 HydrophobicContact CZ3-CG1 4.32Å; W616-V637 HydrophobicContact CZ3-CG2 3.71Å; L619-V637 HydrophobicContact CD2-CG2 4.46Å; V637-V686 HydrophobicContact CG2-CG1 4.22Å; V637-V686 HydrophobicContact CG2-CG2 4.44Å; V637-G688 PolarHBondContact N-O 2.85Å; V637-L689 HydrophobicContact CB-CD2 3.91Å; V637-L689 HydrophobicContact CG1-CD2 4.43Å; V637-L689 CarbonylContact O-C 3.48Å; V637-L689 VanDerWaalsContact O-CA 3.27Å; V637-L689 WeakPolarHBondContact O-CA 3.48Å; V637-D690 PolarHBondContact O-N 3.36Å
638	Q	96.8	Very high	91.8	Very high	18 Å²	18	17.9 Å²	17.9	8%	0.084	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	139	-178.4	67.6	-176.8	14.4	0	0	111.3	H485 R605 L606 S607 I608 D690 V692	H485-Q638 PolarHBondContact CE1-NE2 3.05Å; H485-Q638 PolarHBondContact CE1-OE1 2.91Å; H485-Q638 PolarHBondContact ND1-OE1 2.89Å; H485-Q638 PolarHBondContact NE2-OE1 3.18Å; R605-Q638 HydrophobicContact CB-CB 4.32Å; R605-Q638 HydrophobicContact CB-CG 4.16Å; R605-Q638 VanDerWaalsContact CB-OE1 3.23Å; L606-Q638 PolarHBondContact O-N 2.81Å; S607-Q638 WeakPolarHBondContact CA-O 3.5Å; S607-Q638 PolarHBondContact OG-NE2 2.77Å; I608-Q638 PolarHBondContact N-O 3.26Å; Q638-D690 CarbonylContact C-O 3.57Å; Q638-D690 WeakPolarHBondContact CA-O 3.1Å; Q638-D690 HydrophobicContact CB-CB 3.99Å; Q638-V692 HydrophobicContact CB-CG1 3.85Å; Q638-V692 HydrophobicContact CB-CG2 4.14Å; Q638-V692 HydrophobicContact CG-CG2 4.21Å
639	V	96.4	Very high	90.8	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.012	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	105.5	178.3	180	0	0	0	0	109.1	I608 M658 I662 D690 S691 V692 M728	I608-V639 WeakPolarHBondContact O-CA 3.36Å; V639-M658 HydrophobicContact CG1-CE 4.23Å; V639-I662 HydrophobicContact CG1-CD1 3.58Å; V639-I662 HydrophobicContact CG1-CG1 4.47Å; V639-I662 HydrophobicContact CG2-CD1 4.36Å; V639-I662 HydrophobicContact CG2-CG2 4.22Å; V639-D690 PolarHBondContact N-O 2.78Å; V639-S691 WeakPolarHBondContact O-CA 3.36Å; V639-V692 PolarHBondContact O-N 3.08Å; V639-M728 HydrophobicContact CB-CE 4.08Å; V639-M728 HydrophobicContact CB-SD 4.46Å; V639-M728 HydrophobicContact CG2-CE 4.01Å
640	P	93.8	Very high	90.2	Very high	11 Å²	11	25.8 Å²	25.8	7%	0.071	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	133.7	173.3	-22.8	35.6	0	0	0	112.3	I608 Y609 L642 V692	I608-P640 WeakPolarHBondContact O-CD 3.23Å; Y609-P640 HydrophobicContact CD1-CB 4.46Å; Y609-P640 HydrophobicContact CD1-CG 3.89Å; Y609-P640 HydrophobicContact CE1-CG 3.93Å; P640-L642 HydrophobicContact CB-CD1 3.67Å; P640-L642 HydrophobicContact CB-CG 3.72Å; P640-L642 PolarHBondContact O-N 3.19Å; P640-V692 WeakPolarHBondContact CA-O 3.43Å; P640-V692 HydrophobicContact CB-CG2 4.07Å; P640-V692 HydrophobicContact CG-CG2 3.81Å
641	R	93	Very high	89.4	Confident	13 Å²	13	28.4 Å²	28.4	5%	0.049	15%	0.15	C	C	.	.			trans	-78.3	60.7	-179.6	-64.3	177.4	-71.3	-92.8	3.7	113	S691 V692 D693 N718 Y721 Y724	R641-S691 WeakPolarHBondContact CG-OG 3.22Å; R641-S691 PolarHBondContact NH1-O 3.39Å; R641-S691 PolarHBondContact NH1-OG 2.87Å; R641-V692 WeakPolarHBondContact CG-O 3.48Å; R641-V692 PolarHBondContact N-O 2.73Å; R641-D693 HydrophobicContact CB-CB 4.24Å; R641-D693 PolarHBondContact NH2-O 2.84Å; R641-N718 PolarHBondContact O-ND2 3.03Å; R641-Y721 VanDerWaalsContact NH1-CE2 3.31Å; R641-Y724 HydrophobicContact CB-CD1 4.39Å; R641-Y724 HydrophobicContact CB-CD2 4.29Å; R641-Y724 HydrophobicContact CB-CE1 4.01Å; R641-Y724 HydrophobicContact CB-CE2 3.9Å; R641-Y724 HydrophobicContact CB-CG 4.5Å; R641-Y724 HydrophobicContact CG-CD1 3.9Å; R641-Y724 HydrophobicContact CG-CD2 4.02Å; R641-Y724 HydrophobicContact CG-CE1 4.03Å; R641-Y724 HydrophobicContact CG-CE2 4.15Å; R641-Y724 HydrophobicContact CG-CG 3.87Å; R641-Y724 PolarHBondContact O-OH 3.2Å
642	L	89.6	Confident	89	Confident	20 Å²	20	26.8 Å²	26.8	11%	0.105	14%	0.142	C	C	.	.			trans	-111.1	25.1	-169	-55.5	178.6	0	0	0	114.6	P640 D644 I645 Y646 D693 Y724	P640-L642 HydrophobicContact CB-CD1 3.67Å; P640-L642 HydrophobicContact CB-CG 3.72Å; P640-L642 PolarHBondContact O-N 3.19Å; L642-D644 VanDerWaalsContact C-N 3.3Å; L642-D644 PolarHBondContact O-N 3.21Å; L642-I645 HydrophobicContact CB-CD1 4.32Å; L642-I645 HydrophobicContact CB-CG1 4.49Å; L642-I645 HydrophobicContact CD2-CD1 3.92Å; L642-I645 PolarHBondContact O-N 3.32Å; L642-Y646 HydrophobicContact CB-CD2 4.49Å; L642-Y646 HydrophobicContact CB-CE2 3.86Å; L642-Y646 VanDerWaalsContact O-CD2 3.28Å; L642-Y646 WeakPolarHBondContact O-CD2 3.48Å; L642-Y646 PolarHBondContact O-N 3.27Å; L642-D693 HydrophobicContact CD2-CB 4.33Å; L642-Y724 PolarHBondContact N-OH 3.34Å
643	Y	90.5	Very high	88.6	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-55.6	-41.9	-179.5	171.8	-97.4	0	0	0	113	I645 Y646 Q647 F652 N654 F655 M658 W713 P719 Y724	Y643-I645 VanDerWaalsContact C-N 3.28Å; Y643-I645 PolarHBondContact O-N 3.16Å; Y643-Y646 PolarHBondContact O-N 3.16Å; Y643-Y646 VanDerWaalsContact O-N 3.15Å; Y643-Q647 HydrophobicContact CD1-CB 4.29Å; Y643-Q647 HydrophobicContact CE1-CB 3.88Å; Y643-Q647 HydrophobicContact CE1-CG 3.98Å; Y643-Q647 HydrophobicContact CE2-CB 4.33Å; Y643-Q647 VanDerWaalsContact O-CB 3.26Å; Y643-Q647 WeakPolarHBondContact O-CB 3.31Å; Y643-Q647 PolarHBondContact O-N 3.28Å; Y643-Q647 PolarHBondContact OH-NE2 3.03Å; Y643-Q647 PolarHBondContact OH-OE1 2.86Å; Y643-F652 AromaticContact CD2-CD2 3.79Å; Y643-F652 HydrophobicContact CD2-CD2 3.79Å; Y643-F652 HydrophobicContact CD2-CE2 4.18Å; Y643-F652 HydrophobicContact CE2-CB 4.42Å; Y643-F652 AromaticContact CE2-CD2 3.87Å; Y643-F652 HydrophobicContact CE2-CD2 3.87Å; Y643-N654 WeakPolarHBondContact OH-CA 3.49Å; Y643-F655 HydrophobicContact CD1-CD2 4.4Å; Y643-F655 HydrophobicContact CD2-CB 4.43Å; Y643-F655 AromaticContact CD2-CD2 3.71Å; Y643-F655 HydrophobicContact CD2-CD2 3.71Å; Y643-F655 VanDerWaalsContact CE2-CA 3.47Å; Y643-F655 HydrophobicContact CE2-CB 4.1Å; Y643-F655 HydrophobicContact CE2-CD2 4.23Å; Y643-F655 AromaticContact CG-CD2 3.79Å; Y643-F655 HydrophobicContact CG-CD2 3.79Å; Y643-F655 HydrophobicContact CG-CE2 4.42Å; Y643-F655 PolarHBondContact OH-N 3.41Å; Y643-M658 HydrophobicContact CD2-CB 4.49Å; Y643-M658 HydrophobicContact CD2-SD 4.3Å; Y643-W713 AromaticContact CE1-CD1 3.76Å; Y643-W713 PolarHBondContact OH-O 3.12Å; Y643-P719 HydrophobicContact CD1-CG 4.23Å; Y643-Y724 WeakPolarHBondContact CB-OH 3.45Å; Y643-Y724 PolarHBondContact N-OH 3.38Å
644	D	86.8	Confident	88.5	Confident	33 Å²	33	35.8 Å²	35.8	18%	0.176	18%	0.176	C	C	.	.	H	α-helix	trans	-56.6	-40.7	178.2	59.2	-29.4	0	0	0	112.8	L642 S648 N718	L642-D644 VanDerWaalsContact C-N 3.3Å; L642-D644 PolarHBondContact O-N 3.21Å; D644-S648 WeakPolarHBondContact O-CB 3.44Å; D644-S648 PolarHBondContact O-N 2.95Å; D644-N718 HydrophobicContact CB-CB 3.75Å
645	I	83.6	Confident	88.5	Confident	8 Å²	8	34.9 Å²	34.9	4%	0.041	17%	0.173	C	C	.	.	H	α-helix	trans	-63.6	-49	175.9	-53.4	-172.4	0	0	0	110.2	Y46 L59 L642 Y643 S648 K649	Y46-I645 HydrophobicContact CD2-CG2 4.31Å; Y46-I645 HydrophobicContact CE2-CG2 3.78Å; L59-I645 HydrophobicContact CD2-CD1 3.45Å; L59-I645 VanDerWaalsContact CD2-CD1 3.45Å; L59-I645 HydrophobicContact CG-CD1 4.44Å; L642-I645 HydrophobicContact CB-CD1 4.32Å; L642-I645 HydrophobicContact CB-CG1 4.49Å; L642-I645 HydrophobicContact CD2-CD1 3.92Å; L642-I645 PolarHBondContact O-N 3.32Å; Y643-I645 VanDerWaalsContact C-N 3.28Å; Y643-I645 PolarHBondContact O-N 3.16Å; I645-S648 PolarHBondContact O-N 3.27Å; I645-S648 PolarHBondContact O-OG 3.04Å; I645-K649 PolarHBondContact O-N 2.88Å
646	Y	83.7	Confident	88.4	Confident	20 Å²	20	35.8 Å²	35.8	8%	0.078	18%	0.177	C	C	.	.	H	α-helix	trans	-70.6	-33.7	-177.8	-54.7	-37.7	0	0	0	113	Y609 R611 L642 Y643 K649 N650 T651 F652	Y609-Y646 VanDerWaalsContact CD1-OH 3.26Å; Y609-Y646 WeakPolarHBondContact CD1-OH 3.47Å; R611-Y646 HydrophobicContact CG-CD1 4.1Å; R611-Y646 HydrophobicContact CG-CD2 4.02Å; R611-Y646 HydrophobicContact CG-CE1 3.85Å; R611-Y646 HydrophobicContact CG-CE2 3.72Å; R611-Y646 HydrophobicContact CG-CG 4.21Å; L642-Y646 HydrophobicContact CB-CD2 4.49Å; L642-Y646 HydrophobicContact CB-CE2 3.86Å; L642-Y646 VanDerWaalsContact O-CD2 3.28Å; L642-Y646 WeakPolarHBondContact O-CD2 3.48Å; L642-Y646 PolarHBondContact O-N 3.27Å; Y643-Y646 PolarHBondContact O-N 3.16Å; Y643-Y646 VanDerWaalsContact O-N 3.15Å; Y646-K649 PolarHBondContact O-N 3.3Å; Y646-N650 PolarHBondContact O-N 3.05Å; Y646-T651 WeakPolarHBondContact O-CB 3.38Å; Y646-T651 PolarHBondContact O-N 2.9Å; Y646-T651 PolarHBondContact O-OG1 2.79Å; Y646-F652 AromaticContact CD2-CE2 3.74Å; Y646-F652 HydrophobicContact CD2-CE2 3.74Å; Y646-F652 HydrophobicContact CD2-CZ 4.07Å; Y646-F652 AromaticContact CG-CE2 3.97Å; Y646-F652 HydrophobicContact CG-CE2 3.97Å; Y646-F652 HydrophobicContact CG-CZ 4.35Å
647	Q	82.6	Confident	88.2	Confident	26 Å²	26	38.5 Å²	38.5	12%	0.121	19%	0.19	C	C	.	.	H	α-helix	trans	-68.5	-38	173.3	-169.8	68	-3.1	0	0	111.2	Y643 K649 N650 F652 R653 V714	Y643-Q647 HydrophobicContact CD1-CB 4.29Å; Y643-Q647 HydrophobicContact CE1-CB 3.88Å; Y643-Q647 HydrophobicContact CE1-CG 3.98Å; Y643-Q647 HydrophobicContact CE2-CB 4.33Å; Y643-Q647 VanDerWaalsContact O-CB 3.26Å; Y643-Q647 WeakPolarHBondContact O-CB 3.31Å; Y643-Q647 PolarHBondContact O-N 3.28Å; Y643-Q647 PolarHBondContact OH-NE2 3.03Å; Y643-Q647 PolarHBondContact OH-OE1 2.86Å; Q647-K649 PolarHBondContact O-N 3.44Å; Q647-N650 WeakPolarHBondContact O-CA 3.38Å; Q647-N650 PolarHBondContact O-N 2.81Å; Q647-F652 PolarHBondContact OE1-O 2.88Å; Q647-R653 PolarHBondContact NE2-O 2.99Å; Q647-V714 PolarHBondContact NE2-O 3.18Å
648	S	81.1	Confident	88.1	Confident	71 Å²	71	38.5 Å²	38.5	50%	0.497	19%	0.19	S	C	.	.	H	α-helix	trans	-62.7	-29	174.6	79.9	0	0	0	0	113.2	D644 I645 N650	D644-S648 WeakPolarHBondContact O-CB 3.44Å; D644-S648 PolarHBondContact O-N 2.95Å; I645-S648 PolarHBondContact O-N 3.27Å; I645-S648 PolarHBondContact O-OG 3.04Å; S648-N650 VanDerWaalsContact C-N 3.29Å
649	K	74.6	Confident	88.1	Confident	61 Å²	61	37.8 Å²	37.8	27%	0.265	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	4.8	171.8	-66.7	-176.9	177.7	-104.7	0	113.7	D47 E50 I645 Y646 Q647 T651	D47-K649 WeakPolarHBondContact OD1-CE 3.38Å; D47-K649 IonicContact OD1-NZ 3.89Å; D47-K649 PolarHBondContact OD1-NZ 2.94Å; E50-K649 IonicContact OE2-NZ 2.78Å; E50-K649 PolarHBondContact OE2-NZ 3.31Å; I645-K649 PolarHBondContact O-N 2.88Å; Y646-K649 PolarHBondContact O-N 3.3Å; Q647-K649 PolarHBondContact O-N 3.44Å; K649-T651 PolarHBondContact O-N 3.32Å; K649-T651 VanDerWaalsContact O-N 3.14Å
650	N	79.8	Confident	88.1	Confident	140 Å²	140	38.6 Å²	38.6	75%	0.749	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.3	32.3	-172	-56.4	-84.4	0	0	0	113.3	Y646 Q647 S648 F652	Y646-N650 PolarHBondContact O-N 3.05Å; Q647-N650 WeakPolarHBondContact O-CA 3.38Å; Q647-N650 PolarHBondContact O-N 2.81Å; S648-N650 VanDerWaalsContact C-N 3.29Å; N650-F652 VanDerWaalsContact C-N 3.3Å
651	T	76.3	Confident	88.2	Confident	70 Å²	70	39 Å²	39	43%	0.429	19%	0.193	S	C	.	.			trans	-73.5	-27.5	179.9	-56.5	0	0	0	0	111.6	Y646 K649	Y646-T651 WeakPolarHBondContact O-CB 3.38Å; Y646-T651 PolarHBondContact O-N 2.9Å; Y646-T651 PolarHBondContact O-OG1 2.79Å; K649-T651 PolarHBondContact O-N 3.32Å; K649-T651 VanDerWaalsContact O-N 3.14Å
652	F	80.7	Confident	88.4	Confident	11 Å²	11	38.5 Å²	38.5	5%	0.048	19%	0.191	C	C	.	.			trans	-119.4	163.6	175.8	-51	-49.3	0	0	0	111.4	G610 Y643 Y646 Q647 N650 E657 M658	G610-F652 VanDerWaalsContact O-CZ 3.27Å; G610-F652 WeakPolarHBondContact O-CZ 3.3Å; Y643-F652 AromaticContact CD2-CD2 3.79Å; Y643-F652 HydrophobicContact CD2-CD2 3.79Å; Y643-F652 HydrophobicContact CD2-CE2 4.18Å; Y643-F652 HydrophobicContact CE2-CB 4.42Å; Y643-F652 AromaticContact CE2-CD2 3.87Å; Y643-F652 HydrophobicContact CE2-CD2 3.87Å; Y646-F652 AromaticContact CD2-CE2 3.74Å; Y646-F652 HydrophobicContact CD2-CE2 3.74Å; Y646-F652 HydrophobicContact CD2-CZ 4.07Å; Y646-F652 AromaticContact CG-CE2 3.97Å; Y646-F652 HydrophobicContact CG-CE2 3.97Å; Y646-F652 HydrophobicContact CG-CZ 4.35Å; Q647-F652 PolarHBondContact OE1-O 2.88Å; N650-F652 VanDerWaalsContact C-N 3.3Å; F652-E657 VanDerWaalsContact CA-OE2 3.23Å; F652-E657 WeakPolarHBondContact CA-OE2 3.44Å; F652-E657 HydrophobicContact CB-CB 4.26Å; F652-E657 HydrophobicContact CD1-CB 4.03Å; F652-E657 HydrophobicContact CG-CB 4.39Å; F652-M658 HydrophobicContact CD2-CB 4.32Å; F652-M658 HydrophobicContact CE2-CB 3.76Å; F652-M658 HydrophobicContact CE2-CG 4.12Å; F652-M658 HydrophobicContact CE2-SD 4.3Å; F652-M658 HydrophobicContact CZ-CB 3.89Å; F652-M658 HydrophobicContact CZ-CG 4.16Å
653	R	86.8	Confident	88.9	Confident	197 Å²	197	37.5 Å²	37.5	74%	0.743	19%	0.186	S	C	*	.	S	Bend	trans	-89.1	-38.6	165.7	-59.6	-180	-177.2	167.7	1.3	111.9	Q647 E657 V714	Q647-R653 PolarHBondContact NE2-O 2.99Å; R653-E657 WeakPolarHBondContact CB-OE1 3.25Å; R653-E657 VanDerWaalsContact CD-OE1 3.27Å; R653-E657 WeakPolarHBondContact CD-OE1 3.48Å; R653-E657 WeakPolarHBondContact CG-OE1 3.38Å; R653-E657 PolarHBondContact N-OE2 3.05Å; R653-E657 IonicContact NE-OE1 2.74Å; R653-V714 WeakPolarHBondContact O-CG1 3.3Å
654	N	93.3	Very high	89.2	Confident	27 Å²	27	37.7 Å²	37.7	14%	0.144	19%	0.187	C	C	.	.	S	Bend	trans	-155.2	172.3	-174.9	60.2	27.1	0	0	0	111.2	Y643 Q656 E657 D711 W713 V714	Y643-N654 WeakPolarHBondContact OH-CA 3.49Å; N654-Q656 VanDerWaalsContact C-N 3.26Å; N654-Q656 PolarHBondContact O-N 3.04Å; N654-Q656 PolarHBondContact OD1-N 2.93Å; N654-E657 PolarHBondContact O-N 2.8Å; N654-E657 PolarHBondContact OD1-N 2.96Å; N654-E657 VanDerWaalsContact OD1-N 3.16Å; N654-D711 WeakPolarHBondContact ND2-CA 3.48Å; N654-D711 PolarHBondContact ND2-O 3.09Å; N654-W713 CarbonylContact C-O 3.6Å; N654-W713 WeakPolarHBondContact CA-O 3.23Å; N654-W713 WeakPolarHBondContact CB-O 3.36Å; N654-V714 HydrophobicContact CB-CG1 4.01Å
655	F	94.9	Very high	89.7	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-62.8	-28.8	178.1	-172.1	-109.1	0	0	0	113.9	Y643 E657 M658 I659 A710 W713 P719 Y723 Y724 Y727	Y643-F655 HydrophobicContact CD1-CD2 4.4Å; Y643-F655 HydrophobicContact CD2-CB 4.43Å; Y643-F655 AromaticContact CD2-CD2 3.71Å; Y643-F655 HydrophobicContact CD2-CD2 3.71Å; Y643-F655 VanDerWaalsContact CE2-CA 3.47Å; Y643-F655 HydrophobicContact CE2-CB 4.1Å; Y643-F655 HydrophobicContact CE2-CD2 4.23Å; Y643-F655 AromaticContact CG-CD2 3.79Å; Y643-F655 HydrophobicContact CG-CD2 3.79Å; Y643-F655 HydrophobicContact CG-CE2 4.42Å; Y643-F655 PolarHBondContact OH-N 3.41Å; F655-E657 VanDerWaalsContact C-N 3.27Å; F655-E657 PolarHBondContact O-N 2.88Å; F655-M658 HydrophobicContact CE2-SD 4.22Å; F655-M658 PolarHBondContact O-N 2.8Å; F655-I659 HydrophobicContact CD1-CD1 4.46Å; F655-I659 HydrophobicContact CD1-CG1 3.74Å; F655-I659 HydrophobicContact CE1-CD1 3.62Å; F655-I659 HydrophobicContact CE1-CG1 3.37Å; F655-I659 HydrophobicContact CZ-CD1 3.75Å; F655-I659 HydrophobicContact CZ-CG1 3.9Å; F655-I659 PolarHBondContact O-N 2.69Å; F655-A710 HydrophobicContact CD1-CB 3.88Å; F655-A710 PolarHBondContact N-O 3.1Å; F655-W713 HydrophobicContact CB-CB 3.86Å; F655-W713 HydrophobicContact CB-CG 4.24Å; F655-W713 PolarHBondContact N-O 3.33Å; F655-P719 HydrophobicContact CD2-CG 3.71Å; F655-P719 HydrophobicContact CE2-CG 3.9Å; F655-P719 HydrophobicContact CG-CG 4.21Å; F655-Y723 AromaticContact CD1-CD1 3.92Å; F655-Y723 HydrophobicContact CD1-CD1 3.92Å; F655-Y723 AromaticContact CD1-CE1 3.46Å; F655-Y723 HydrophobicContact CD1-CE1 3.46Å; F655-Y723 VanDerWaalsContact CD1-CE1 3.46Å; F655-Y723 AromaticContact CE1-CD1 3.72Å; F655-Y723 HydrophobicContact CE1-CD1 3.72Å; F655-Y723 AromaticContact CE1-CE1 3.75Å; F655-Y723 HydrophobicContact CE1-CE1 3.75Å; F655-Y723 HydrophobicContact CG-CE1 4.09Å; F655-Y723 HydrophobicContact CZ-CD1 4.25Å; F655-Y724 AromaticContact CE2-CD1 3.99Å; F655-Y724 HydrophobicContact CE2-CD1 3.99Å; F655-Y724 AromaticContact CE2-CE1 3.58Å; F655-Y724 HydrophobicContact CE2-CE1 3.58Å; F655-Y724 HydrophobicContact CE2-CE2 4.26Å; F655-Y724 AromaticContact CE2-CZ 3.75Å; F655-Y724 AromaticContact CZ-CD1 3.73Å; F655-Y724 HydrophobicContact CZ-CD1 3.73Å; F655-Y724 HydrophobicContact CZ-CD2 4.5Å; F655-Y724 AromaticContact CZ-CE1 3.84Å; F655-Y724 HydrophobicContact CZ-CE1 3.84Å; F655-Y724 HydrophobicContact CZ-CG 4.1Å; F655-Y727 HydrophobicContact CD1-CD2 4.35Å; F655-Y727 AromaticContact CE1-CD2 3.91Å; F655-Y727 HydrophobicContact CE1-CD2 3.91Å; F655-Y727 HydrophobicContact CE1-CG 4.28Å
656	Q	95.7	Very high	90.4	Very high	23 Å²	23	35.8 Å²	35.8	11%	0.107	18%	0.177	C	C	.	.	H	α-helix	trans	-59.5	-36.2	176.9	175	170.6	-36.3	0	0	111.9	S391 K393 N654 M658 I659 D660 A710 D711	S391-Q656 PolarHBondContact OG-NE2 3.29Å; K393-Q656 VanDerWaalsContact N-OE1 3.11Å; N654-Q656 VanDerWaalsContact C-N 3.26Å; N654-Q656 PolarHBondContact O-N 3.04Å; N654-Q656 PolarHBondContact OD1-N 2.93Å; Q656-M658 VanDerWaalsContact C-N 3.3Å; Q656-M658 PolarHBondContact O-N 3.46Å; Q656-I659 PolarHBondContact O-N 3.03Å; Q656-D660 PolarHBondContact NE2-OD2 3.47Å; Q656-D660 WeakPolarHBondContact O-CB 3.39Å; Q656-D660 PolarHBondContact O-N 3.24Å; Q656-A710 HydrophobicContact CB-CB 3.97Å; Q656-A710 PolarHBondContact N-O 3.18Å; Q656-D711 HydrophobicContact CB-CB 4.47Å
657	E	94.9	Very high	91.1	Very high	57 Å²	57	34.9 Å²	34.9	27%	0.266	17%	0.173	S	C	.	.	H	α-helix	trans	-61.8	-37.3	179.1	-72.8	178.4	178.9	0	0	112.3	F652 R653 N654 F655 N661	F652-E657 VanDerWaalsContact CA-OE2 3.23Å; F652-E657 WeakPolarHBondContact CA-OE2 3.44Å; F652-E657 HydrophobicContact CB-CB 4.26Å; F652-E657 HydrophobicContact CD1-CB 4.03Å; F652-E657 HydrophobicContact CG-CB 4.39Å; R653-E657 WeakPolarHBondContact CB-OE1 3.25Å; R653-E657 VanDerWaalsContact CD-OE1 3.27Å; R653-E657 WeakPolarHBondContact CD-OE1 3.48Å; R653-E657 WeakPolarHBondContact CG-OE1 3.38Å; R653-E657 PolarHBondContact N-OE2 3.05Å; R653-E657 IonicContact NE-OE1 2.74Å; N654-E657 PolarHBondContact O-N 2.8Å; N654-E657 PolarHBondContact OD1-N 2.96Å; N654-E657 VanDerWaalsContact OD1-N 3.16Å; F655-E657 VanDerWaalsContact C-N 3.27Å; F655-E657 PolarHBondContact O-N 2.88Å; E657-N661 WeakPolarHBondContact O-CB 3.29Å; E657-N661 PolarHBondContact O-N 3.14Å; E657-N661 PolarHBondContact O-ND2 3.17Å; E657-N661 VanDerWaalsContact O-ND2 3.12Å
658	M	95	Very high	91.8	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-65.8	-45.8	173.3	-175.2	177.1	174.5	0	0	111.9	Y609 V639 Y643 F652 F655 Q656 N661 I662 Y724	Y609-M658 WeakPolarHBondContact O-CE 3.36Å; V639-M658 HydrophobicContact CG1-CE 4.23Å; Y643-M658 HydrophobicContact CD2-CB 4.49Å; Y643-M658 HydrophobicContact CD2-SD 4.3Å; F652-M658 HydrophobicContact CD2-CB 4.32Å; F652-M658 HydrophobicContact CE2-CB 3.76Å; F652-M658 HydrophobicContact CE2-CG 4.12Å; F652-M658 HydrophobicContact CE2-SD 4.3Å; F652-M658 HydrophobicContact CZ-CB 3.89Å; F652-M658 HydrophobicContact CZ-CG 4.16Å; F655-M658 HydrophobicContact CE2-SD 4.22Å; F655-M658 PolarHBondContact O-N 2.8Å; Q656-M658 VanDerWaalsContact C-N 3.3Å; Q656-M658 PolarHBondContact O-N 3.46Å; M658-N661 PolarHBondContact O-N 3.4Å; M658-I662 HydrophobicContact CE-CD1 4.38Å; M658-I662 HydrophobicContact CG-CD1 4.14Å; M658-I662 WeakPolarHBondContact O-CD1 3.4Å; M658-I662 WeakPolarHBondContact O-CG1 3.26Å; M658-I662 PolarHBondContact O-N 3.39Å; M658-Y724 HydrophobicContact CE-CE1 4.03Å; M658-Y724 HydrophobicContact SD-CE1 4.32Å
659	I	96.7	Very high	92.6	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.01	16%	0.156	C	C	.	.	H	α-helix	trans	-64.2	-40.1	177.8	-67.5	-60.5	0	0	0	111.6	G394 F655 Q656 I662 F663	G394-I659 WeakPolarHBondContact O-CG2 3.49Å; F655-I659 HydrophobicContact CD1-CD1 4.46Å; F655-I659 HydrophobicContact CD1-CG1 3.74Å; F655-I659 HydrophobicContact CE1-CD1 3.62Å; F655-I659 HydrophobicContact CE1-CG1 3.37Å; F655-I659 HydrophobicContact CZ-CD1 3.75Å; F655-I659 HydrophobicContact CZ-CG1 3.9Å; F655-I659 PolarHBondContact O-N 2.69Å; Q656-I659 PolarHBondContact O-N 3.03Å; I659-I662 PolarHBondContact O-N 3.32Å; I659-F663 HydrophobicContact CG2-CD2 4.12Å; I659-F663 PolarHBondContact O-N 3.39Å
660	D	97.1	Very high	93.7	Very high	20 Å²	20	29.9 Å²	29.9	11%	0.107	14%	0.143	C	C	.	.	H	α-helix	trans	-65.4	-40.2	177.7	-77.1	-0.3	0	0	0	110.9	S391 Q656 I662 V664 P665	S391-D660 WeakPolarHBondContact CB-OD1 3.39Å; S391-D660 WeakPolarHBondContact CB-OD2 3.02Å; S391-D660 PolarHBondContact OG-OD1 3.34Å; Q656-D660 PolarHBondContact NE2-OD2 3.47Å; Q656-D660 WeakPolarHBondContact O-CB 3.39Å; Q656-D660 PolarHBondContact O-N 3.24Å; D660-I662 VanDerWaalsContact C-N 3.27Å; D660-I662 PolarHBondContact O-N 3.42Å; D660-V664 HydrophobicContact CB-CG2 3.95Å; D660-V664 WeakPolarHBondContact O-CB 3.39Å; D660-V664 WeakPolarHBondContact O-CG2 3.14Å; D660-V664 PolarHBondContact O-N 3.32Å; D660-P665 WeakPolarHBondContact O-CD 3.11Å
661	N	96.1	Very high	94.5	Very high	19 Å²	19	24 Å²	24	10%	0.102	11%	0.111	C	C	.	.	H	α-helix	trans	-63	-31.1	174	-70.7	-27.2	0	0	0	113.1	G610 R611 R613 E657 M658	G610-N661 WeakPolarHBondContact O-CB 3.24Å; G610-N661 PolarHBondContact O-ND2 2.73Å; R611-N661 VanDerWaalsContact C-ND2 3.31Å; R611-N661 PolarHBondContact O-ND2 2.88Å; R613-N661 WeakPolarHBondContact CG-OD1 3.2Å; R613-N661 PolarHBondContact N-OD1 3.46Å; E657-N661 WeakPolarHBondContact O-CB 3.29Å; E657-N661 PolarHBondContact O-N 3.14Å; E657-N661 PolarHBondContact O-ND2 3.17Å; E657-N661 VanDerWaalsContact O-ND2 3.12Å; M658-N661 PolarHBondContact O-N 3.4Å
662	I	97.3	Very high	95.5	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.01	10%	0.102	C	C	.	.	H	α-helix	trans	-80.1	-47.8	178.5	-64.7	157.7	0	0	0	111.4	I608 W616 V639 M658 I659 D660	I608-I662 HydrophobicContact CG2-CG1 4.49Å; W616-I662 PolarHBondContact NE1-O 2.59Å; V639-I662 HydrophobicContact CG1-CD1 3.58Å; V639-I662 HydrophobicContact CG1-CG1 4.47Å; V639-I662 HydrophobicContact CG2-CD1 4.36Å; V639-I662 HydrophobicContact CG2-CG2 4.22Å; M658-I662 HydrophobicContact CE-CD1 4.38Å; M658-I662 HydrophobicContact CG-CD1 4.14Å; M658-I662 WeakPolarHBondContact O-CD1 3.4Å; M658-I662 WeakPolarHBondContact O-CG1 3.26Å; M658-I662 PolarHBondContact O-N 3.39Å; I659-I662 PolarHBondContact O-N 3.32Å; D660-I662 VanDerWaalsContact C-N 3.27Å; D660-I662 PolarHBondContact O-N 3.42Å
663	F	98.2	Very high	96.3	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-100	-35.5	-168.1	-75.1	-78.1	0	0	0	114.9	V396 I659 L666 F667 L689 M728 N731 L732 L735	V396-F663 HydrophobicContact CG2-CB 4.1Å; I659-F663 HydrophobicContact CG2-CD2 4.12Å; I659-F663 PolarHBondContact O-N 3.39Å; F663-L666 HydrophobicContact CD1-CD1 4.35Å; F663-L666 WeakPolarHBondContact O-CB 3.32Å; F663-L666 PolarHBondContact O-N 3.48Å; F663-F667 HydrophobicContact CB-CE2 4.48Å; F663-F667 WeakPolarHBondContact O-CD2 3.5Å; F663-F667 PolarHBondContact O-N 3.27Å; F663-F667 VanDerWaalsContact O-N 3.16Å; F663-L689 HydrophobicContact CE1-CD1 3.88Å; F663-L689 HydrophobicContact CZ-CD1 3.99Å; F663-M728 HydrophobicContact CE2-CB 4.4Å; F663-M728 HydrophobicContact CE2-CG 4.18Å; F663-M728 HydrophobicContact CZ-CB 4.14Å; F663-M728 HydrophobicContact CZ-CG 4.27Å; F663-M728 WeakPolarHBondContact CZ-O 3.41Å; F663-N731 HydrophobicContact CB-CB 4.14Å; F663-N731 HydrophobicContact CD1-CB 3.48Å; F663-N731 VanDerWaalsContact CD1-CB 3.48Å; F663-N731 HydrophobicContact CD2-CB 3.8Å; F663-N731 HydrophobicContact CE1-CB 3.75Å; F663-N731 HydrophobicContact CE2-CB 4.06Å; F663-N731 HydrophobicContact CG-CB 3.51Å; F663-N731 HydrophobicContact CZ-CB 4.04Å; F663-L732 HydrophobicContact CE1-CB 4.47Å; F663-L735 HydrophobicContact CD1-CD2 4.49Å
664	V	97.8	Very high	96.7	Very high	4 Å²	4	16 Å²	16	2%	0.024	9%	0.09	C	C	.	.	H	α-helix	trans	-59.9	-42.8	-174.7	177.9	0	0	0	0	112.3	V389 V396 R613 D660 L666 F667 E668	V389-V664 HydrophobicContact CG1-CG1 4.24Å; V396-V664 HydrophobicContact CG2-CG2 3.76Å; R613-V664 VanDerWaalsContact NH1-CG1 3.34Å; D660-V664 HydrophobicContact CB-CG2 3.95Å; D660-V664 WeakPolarHBondContact O-CB 3.39Å; D660-V664 WeakPolarHBondContact O-CG2 3.14Å; D660-V664 PolarHBondContact O-N 3.32Å; V664-L666 PolarHBondContact O-N 3.07Å; V664-F667 PolarHBondContact O-N 3.48Å; V664-F667 VanDerWaalsContact O-N 3.07Å; V664-E668 VanDerWaalsContact CG1-CD 3.47Å; V664-E668 HydrophobicContact CG1-CG 3.96Å; V664-E668 VanDerWaalsContact CG1-OE1 3.29Å; V664-E668 WeakPolarHBondContact CG1-OE1 3.42Å; V664-E668 WeakPolarHBondContact O-CB 3.17Å; V664-E668 WeakPolarHBondContact O-CG 3.36Å; V664-E668 PolarHBondContact O-N 2.97Å
665	P	97.9	Very high	96.9	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.006	10%	0.104	C	C	.	.	H	α-helix	trans	-56.9	-34.9	173.5	-27.1	36.2	0	0	0	113.9	R613 W616 D660 E668 V669 L679	R613-P665 HydrophobicContact CB-CG 4.33Å; R613-P665 WeakPolarHBondContact O-CG 3.18Å; W616-P665 HydrophobicContact CB-CB 4.31Å; W616-P665 HydrophobicContact CG-CB 4.43Å; D660-P665 WeakPolarHBondContact O-CD 3.11Å; P665-E668 PolarHBondContact O-N 3.08Å; P665-V669 VanDerWaalsContact O-CG1 3.3Å; P665-V669 WeakPolarHBondContact O-CG1 3.25Å; P665-V669 PolarHBondContact O-N 3.23Å; P665-L679 HydrophobicContact CB-CD2 4.46Å
666	L	98.3	Very high	97	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-70.5	-33.2	177.7	-60.4	179	0	0	0	112.7	W616 F663 V664 V669 T670 L683 L735	W616-L666 HydrophobicContact CD2-CD2 3.93Å; W616-L666 HydrophobicContact CE3-CD2 4.16Å; W616-L666 HydrophobicContact CH2-CD1 4.39Å; W616-L666 HydrophobicContact CH2-CD2 3.96Å; W616-L666 HydrophobicContact CZ2-CD1 3.74Å; W616-L666 HydrophobicContact CZ2-CD2 3.76Å; W616-L666 HydrophobicContact CZ2-CG 4.06Å; W616-L666 HydrophobicContact CZ3-CD2 4.16Å; F663-L666 HydrophobicContact CD1-CD1 4.35Å; F663-L666 WeakPolarHBondContact O-CB 3.32Å; F663-L666 PolarHBondContact O-N 3.48Å; V664-L666 PolarHBondContact O-N 3.07Å; L666-V669 WeakPolarHBondContact O-CG1 3.42Å; L666-T670 VanDerWaalsContact O-CB 3.29Å; L666-T670 WeakPolarHBondContact O-CB 3.21Å; L666-T670 PolarHBondContact O-N 3.25Å; L666-T670 PolarHBondContact O-OG1 3.03Å; L666-L683 HydrophobicContact CD2-CD1 3.82Å; L666-L683 HydrophobicContact CD2-CD2 3.96Å; L666-L735 HydrophobicContact CB-CD1 4.09Å; L666-L735 HydrophobicContact CB-CD2 3.72Å; L666-L735 HydrophobicContact CD1-CD2 3.75Å; L666-L735 HydrophobicContact CG-CD2 4.38Å
667	F	98	Very high	97	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-76	-40.2	171.9	-80	-90.7	0	0	0	111.8	V389 V396 V398 F663 V664 T670 N671 T734 L735 F738	V389-F667 HydrophobicContact CG1-CB 3.7Å; V389-F667 HydrophobicContact CG2-CB 4.14Å; V396-F667 HydrophobicContact CB-CD2 3.7Å; V396-F667 HydrophobicContact CB-CE2 3.61Å; V396-F667 HydrophobicContact CB-CG 4.22Å; V396-F667 HydrophobicContact CB-CZ 4.05Å; V396-F667 HydrophobicContact CG1-CB 3.93Å; V396-F667 HydrophobicContact CG1-CD1 3.96Å; V396-F667 HydrophobicContact CG1-CD2 3.49Å; V396-F667 VanDerWaalsContact CG1-CD2 3.49Å; V396-F667 HydrophobicContact CG1-CE1 4.32Å; V396-F667 HydrophobicContact CG1-CE2 3.89Å; V396-F667 HydrophobicContact CG1-CG 3.53Å; V396-F667 HydrophobicContact CG1-CZ 4.27Å; V396-F667 HydrophobicContact CG2-CD2 4.04Å; V396-F667 HydrophobicContact CG2-CE2 4.11Å; V398-F667 HydrophobicContact CG2-CD1 3.6Å; V398-F667 HydrophobicContact CG2-CE1 3.92Å; F663-F667 HydrophobicContact CB-CE2 4.48Å; F663-F667 WeakPolarHBondContact O-CD2 3.5Å; F663-F667 PolarHBondContact O-N 3.27Å; F663-F667 VanDerWaalsContact O-N 3.16Å; V664-F667 PolarHBondContact O-N 3.48Å; V664-F667 VanDerWaalsContact O-N 3.07Å; F667-T670 PolarHBondContact O-N 3.25Å; F667-N671 WeakPolarHBondContact O-CB 3.29Å; F667-N671 PolarHBondContact O-N 3.47Å; F667-T734 HydrophobicContact CE1-CG2 4.03Å; F667-T734 HydrophobicContact CZ-CG2 4.09Å; F667-L735 HydrophobicContact CD1-CD1 4.22Å; F667-L735 HydrophobicContact CD2-CD1 4.04Å; F667-L735 HydrophobicContact CE1-CB 4.2Å; F667-L735 HydrophobicContact CE1-CD1 4.31Å; F667-L735 HydrophobicContact CE2-CB 3.8Å; F667-L735 HydrophobicContact CE2-CD1 4.13Å; F667-L735 HydrophobicContact CE2-CG 4.43Å; F667-L735 HydrophobicContact CG-CD1 4.1Å; F667-L735 HydrophobicContact CZ-CB 3.61Å; F667-L735 HydrophobicContact CZ-CD1 4.28Å; F667-F738 AromaticContact CD1-CD1 3.87Å; F667-F738 HydrophobicContact CD1-CD1 3.87Å; F667-F738 HydrophobicContact CD1-CE1 4.44Å; F667-F738 HydrophobicContact CE1-CD1 4.4Å
668	E	97.6	Very high	97	Very high	54 Å²	54	20.8 Å²	20.8	25%	0.252	12%	0.123	S	C	.	.	H	α-helix	trans	-58.1	-52.5	176.6	-73.9	169.8	164.8	0	0	110.4	R613 V664 P665 T670 N671 D672 H676	R613-E668 IonicContact NH1-OE1 2.71Å; R613-E668 PolarHBondContact NH1-OE1 3.45Å; R613-E668 VanDerWaalsContact NH1-OE1 3.13Å; R613-E668 IonicContact NH1-OE2 2.74Å; V664-E668 VanDerWaalsContact CG1-CD 3.47Å; V664-E668 HydrophobicContact CG1-CG 3.96Å; V664-E668 VanDerWaalsContact CG1-OE1 3.29Å; V664-E668 WeakPolarHBondContact CG1-OE1 3.42Å; V664-E668 WeakPolarHBondContact O-CB 3.17Å; V664-E668 WeakPolarHBondContact O-CG 3.36Å; V664-E668 PolarHBondContact O-N 2.97Å; P665-E668 PolarHBondContact O-N 3.08Å; E668-T670 VanDerWaalsContact C-N 3.33Å; E668-T670 PolarHBondContact O-N 3.22Å; E668-N671 PolarHBondContact O-N 3.34Å; E668-D672 PolarHBondContact O-N 2.93Å; E668-H676 IonicContact OE2-NE2 2.69Å
669	V	97.7	Very high	97.2	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-67	-27.2	176.6	72.3	0	0	0	0	114.5	P665 L666 D672 P673 H676 L679 H680 L683	P665-V669 VanDerWaalsContact O-CG1 3.3Å; P665-V669 WeakPolarHBondContact O-CG1 3.25Å; P665-V669 PolarHBondContact O-N 3.23Å; L666-V669 WeakPolarHBondContact O-CG1 3.42Å; V669-D672 CarbonylContact O-C 3.55Å; V669-P673 WeakPolarHBondContact O-CA 3.38Å; V669-P673 WeakPolarHBondContact O-CD 3.34Å; V669-P673 WeakPolarHBondContact O-CG 3.27Å; V669-H676 HydrophobicContact CB-CB 3.91Å; V669-H676 HydrophobicContact CG2-CB 3.78Å; V669-H676 WeakPolarHBondContact CG2-O 3.4Å; V669-L679 HydrophobicContact CB-CD2 4.08Å; V669-L679 HydrophobicContact CB-CG 4.41Å; V669-L679 HydrophobicContact CG1-CD2 3.93Å; V669-L679 HydrophobicContact CG1-CG 4.18Å; V669-L679 HydrophobicContact CG2-CB 4.23Å; V669-L679 HydrophobicContact CG2-CD2 4.45Å; V669-L679 HydrophobicContact CG2-CG 4.29Å; V669-H680 HydrophobicContact CG2-CB 3.74Å; V669-L683 HydrophobicContact CG1-CD1 3.71Å
670	T	97.7	Very high	97.2	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-74.4	-38.5	176.7	-62.5	0	0	0	0	110.6	L666 F667 E668 F738 R739 R742 F744	L666-T670 VanDerWaalsContact O-CB 3.29Å; L666-T670 WeakPolarHBondContact O-CB 3.21Å; L666-T670 PolarHBondContact O-N 3.25Å; L666-T670 PolarHBondContact O-OG1 3.03Å; F667-T670 PolarHBondContact O-N 3.25Å; E668-T670 VanDerWaalsContact C-N 3.33Å; E668-T670 PolarHBondContact O-N 3.22Å; T670-F738 HydrophobicContact CG2-CB 4.4Å; T670-F738 HydrophobicContact CG2-CD1 3.41Å; T670-F738 VanDerWaalsContact CG2-CD1 3.41Å; T670-F738 HydrophobicContact CG2-CD2 4.43Å; T670-F738 HydrophobicContact CG2-CE1 3.7Å; T670-F738 HydrophobicContact CG2-CG 3.83Å; T670-F738 HydrophobicContact CG2-CZ 4.32Å; T670-R739 HydrophobicContact CG2-CB 4.3Å; T670-R739 HydrophobicContact CG2-CG 3.53Å; T670-R739 WeakPolarHBondContact OG1-CG 3.27Å; T670-R739 PolarHBondContact OG1-NH1 3.35Å; T670-R742 HydrophobicContact CG2-CG 4.23Å; T670-R742 PolarHBondContact O-NE 3.05Å; T670-F744 HydrophobicContact CG2-CD2 4.19Å; T670-F744 HydrophobicContact CG2-CE2 4.47Å
671	N	97.1	Very high	97.1	Very high	15 Å²	15	22.7 Å²	22.7	8%	0.08	13%	0.129	C	C	.	.	H	α-helix	trans	-68.6	-52.9	173.8	-176.6	48.7	0	0	0	111.3	S384 A385 F387 V389 F667 E668 F738 R742	S384-N671 CarbonylContact C-O 3.5Å; S384-N671 WeakPolarHBondContact CA-O 3.32Å; A385-N671 PolarHBondContact N-O 3.03Å; F387-N671 WeakPolarHBondContact CB-OD1 3.44Å; F387-N671 PolarHBondContact N-OD1 3.04Å; F387-N671 VanDerWaalsContact N-OD1 3.1Å; F387-N671 PolarHBondContact O-ND2 3.37Å; V389-N671 HydrophobicContact CG2-CB 4.24Å; F667-N671 WeakPolarHBondContact O-CB 3.29Å; F667-N671 PolarHBondContact O-N 3.47Å; E668-N671 PolarHBondContact O-N 3.34Å; N671-F738 HydrophobicContact CB-CE1 3.89Å; N671-F738 HydrophobicContact CB-CZ 3.77Å; N671-R742 PolarHBondContact O-NH2 3.32Å; N671-R742 VanDerWaalsContact O-NH2 3.15Å
672	D	97.2	Very high	97.1	Very high	45 Å²	45	21.8 Å²	21.8	24%	0.241	12%	0.124	C	C	.	.			trans	-131.1	90.9	-178.6	-163.7	-6.3	0	0	0	112.1	S384 E668 V669 A674 S675	S384-D672 VanDerWaalsContact CB-CG 3.47Å; S384-D672 WeakPolarHBondContact CB-OD2 3.38Å; S384-D672 PolarHBondContact OG-OD2 3.12Å; E668-D672 PolarHBondContact O-N 2.93Å; V669-D672 CarbonylContact O-C 3.55Å; D672-A674 PolarHBondContact O-N 3.39Å; D672-A674 WeakPolarHBondContact OD1-CB 3.4Å; D672-A674 PolarHBondContact OD1-N 3.13Å; D672-A674 VanDerWaalsContact OD1-N 3.13Å; D672-S675 PolarHBondContact O-N 3.04Å; D672-S675 PolarHBondContact O-OG 3.17Å
673	P	97.3	Very high	97.1	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-21.3	174.6	-29	36.5	0	0	0	114.2	I381 P382 V669 H676 P677 H680 F744	I381-P673 HydrophobicContact CG2-CB 3.68Å; P382-P673 HydrophobicContact CB-CG 4.34Å; P382-P673 WeakPolarHBondContact O-CB 3.49Å; P382-P673 WeakPolarHBondContact O-CD 3.27Å; P382-P673 WeakPolarHBondContact O-CG 3.43Å; V669-P673 WeakPolarHBondContact O-CA 3.38Å; V669-P673 WeakPolarHBondContact O-CD 3.34Å; V669-P673 WeakPolarHBondContact O-CG 3.27Å; P673-H676 CarbonylContact O-C 3.57Å; P673-P677 VanDerWaalsContact O-CA 3.28Å; P673-P677 WeakPolarHBondContact O-CA 3.49Å; P673-H680 HydrophobicContact CB-CB 4.14Å; P673-F744 HydrophobicContact CG-CE2 4.02Å; P673-F744 HydrophobicContact CG-CZ 3.83Å
674	A	95.8	Very high	96.9	Very high	65 Å²	65	25.4 Å²	25.4	54%	0.537	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-17.7	178	0	0	0	0	0	113.6	D672	D672-A674 PolarHBondContact O-N 3.39Å; D672-A674 WeakPolarHBondContact OD1-CB 3.4Å; D672-A674 PolarHBondContact OD1-N 3.13Å; D672-A674 VanDerWaalsContact OD1-N 3.13Å
675	S	96.1	Very high	96.7	Very high	62 Å²	62	25.9 Å²	25.9	43%	0.434	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-30.5	174.7	71.2	0	0	0	0	112.7	D672	D672-S675 PolarHBondContact O-N 3.04Å; D672-S675 PolarHBondContact O-OG 3.17Å
676	H	97	Very high	96.7	Very high	23 Å²	23	25.8 Å²	25.8	11%	0.106	14%	0.139	C	C	.	.	S	Bend	trans	-130.1	68.6	174.8	-49.5	-94	0	0	0	111.1	D617 E668 V669 P673 Q678 L679 H680	D617-H676 VanDerWaalsContact CG-ND1 3.28Å; D617-H676 WeakPolarHBondContact OD1-CB 3.32Å; D617-H676 IonicContact OD1-CG 3.29Å; D617-H676 IonicContact OD1-ND1 3.86Å; D617-H676 PolarHBondContact OD1-ND1 3.46Å; D617-H676 IonicContact OD2-CE1 2.71Å; D617-H676 PolarHBondContact OD2-CE1 2.76Å; D617-H676 IonicContact OD2-ND1 3.78Å; D617-H676 PolarHBondContact OD2-ND1 2.93Å; E668-H676 IonicContact OE2-NE2 2.69Å; V669-H676 HydrophobicContact CB-CB 3.91Å; V669-H676 HydrophobicContact CG2-CB 3.78Å; V669-H676 WeakPolarHBondContact CG2-O 3.4Å; P673-H676 CarbonylContact O-C 3.57Å; H676-Q678 VanDerWaalsContact C-N 3.35Å; H676-Q678 PolarHBondContact O-N 3.49Å; H676-L679 HydrophobicContact CB-CB 3.68Å; H676-L679 HydrophobicContact CB-CD2 4.06Å; H676-L679 HydrophobicContact CB-CG 4.45Å; H676-L679 PolarHBondContact O-N 3.31Å; H676-H680 PolarHBondContact O-N 3.35Å
677	P	96.2	Very high	96.6	Very high	50 Å²	50	26.7 Å²	26.7	33%	0.325	14%	0.144	S	C	.	.	H	α-helix	trans	-63.8	-37.4	-169.6	25.2	-35.3	0	0	0	113.3	I381 P673 R681	I381-P677 HydrophobicContact CD1-CB 3.59Å; P673-P677 VanDerWaalsContact O-CA 3.28Å; P673-P677 WeakPolarHBondContact O-CA 3.49Å; P677-R681 WeakPolarHBondContact O-CG 3.4Å; P677-R681 PolarHBondContact O-N 2.98Å
678	Q	95.9	Very high	96.6	Very high	74 Å²	74	26.7 Å²	26.7	35%	0.346	14%	0.144	S	C	.	.	H	α-helix	trans	-72.7	-39.6	177	-58.1	-58.7	12.7	0	0	111.5	A620 I624 H676 H680 R681 F682	A620-Q678 HydrophobicContact CB-CB 4.29Å; I624-Q678 HydrophobicContact CD1-CB 3.97Å; I624-Q678 VanDerWaalsContact CD1-O 3.26Å; I624-Q678 WeakPolarHBondContact CD1-O 3.45Å; I624-Q678 VanDerWaalsContact CD1-OE1 3.27Å; H676-Q678 VanDerWaalsContact C-N 3.35Å; H676-Q678 PolarHBondContact O-N 3.49Å; Q678-H680 VanDerWaalsContact C-N 3.34Å; Q678-H680 PolarHBondContact O-N 3.1Å; Q678-R681 PolarHBondContact O-N 3.15Å; Q678-F682 WeakPolarHBondContact O-CB 3.09Å; Q678-F682 PolarHBondContact O-N 3.24Å
679	L	97.3	Very high	96.6	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-61.2	-42.8	174.7	-176.2	57.5	0	0	0	111.4	W616 A620 P665 V669 H676 R681 F682 L683	W616-L679 HydrophobicContact CB-CD1 3.98Å; W616-L679 HydrophobicContact CB-CD2 3.92Å; W616-L679 HydrophobicContact CD2-CD1 4.26Å; W616-L679 HydrophobicContact CE3-CD1 3.63Å; W616-L679 HydrophobicContact CG-CD1 4.45Å; W616-L679 HydrophobicContact CZ3-CD1 4.42Å; A620-L679 HydrophobicContact CB-CB 4.19Å; A620-L679 HydrophobicContact CB-CD1 4.21Å; P665-L679 HydrophobicContact CB-CD2 4.46Å; V669-L679 HydrophobicContact CB-CD2 4.08Å; V669-L679 HydrophobicContact CB-CG 4.41Å; V669-L679 HydrophobicContact CG1-CD2 3.93Å; V669-L679 HydrophobicContact CG1-CG 4.18Å; V669-L679 HydrophobicContact CG2-CB 4.23Å; V669-L679 HydrophobicContact CG2-CD2 4.45Å; V669-L679 HydrophobicContact CG2-CG 4.29Å; H676-L679 HydrophobicContact CB-CB 3.68Å; H676-L679 HydrophobicContact CB-CD2 4.06Å; H676-L679 HydrophobicContact CB-CG 4.45Å; H676-L679 PolarHBondContact O-N 3.31Å; L679-R681 VanDerWaalsContact C-N 3.33Å; L679-R681 PolarHBondContact O-N 3.28Å; L679-F682 PolarHBondContact O-N 3.14Å; L679-L683 HydrophobicContact CD1-CD1 4.12Å; L679-L683 HydrophobicContact CD1-CD2 4.12Å; L679-L683 HydrophobicContact CD1-CG 3.85Å; L679-L683 HydrophobicContact CG-CD1 3.96Å; L679-L683 HydrophobicContact CG-CG 4.14Å; L679-L683 WeakPolarHBondContact O-CB 3.5Å; L679-L683 VanDerWaalsContact O-CG 3.24Å; L679-L683 WeakPolarHBondContact O-CG 3.43Å; L679-L683 PolarHBondContact O-N 3.15Å
680	H	97.1	Very high	96.6	Very high	15 Å²	15	24.1 Å²	24.1	7%	0.069	13%	0.133	C	C	.	.	H	α-helix	trans	-57.1	-47	175.3	-176.4	76.1	0	0	0	111.8	V669 P673 H676 Q678 L683 F744	V669-H680 HydrophobicContact CG2-CB 3.74Å; P673-H680 HydrophobicContact CB-CB 4.14Å; H676-H680 PolarHBondContact O-N 3.35Å; Q678-H680 VanDerWaalsContact C-N 3.34Å; Q678-H680 PolarHBondContact O-N 3.1Å; H680-L683 PolarHBondContact O-N 3.09Å; H680-F744 AromaticContact CE1-CE1 3.73Å; H680-F744 AromaticContact CE1-CE2 3.82Å; H680-F744 AromaticContact CE1-CZ 3.61Å
681	R	95.9	Very high	96.5	Very high	48 Å²	48	24.1 Å²	24.1	18%	0.181	13%	0.133	C	C	.	.	H	α-helix	trans	-61.2	-43.7	177.3	-75.5	170	169.1	-130	-9.5	112.4	F377 D378 C379 I624 P677 Q678 L679	F377-R681 WeakPolarHBondContact O-CD 3.49Å; F377-R681 VanDerWaalsContact O-CG 3.28Å; F377-R681 WeakPolarHBondContact O-CG 3.49Å; F377-R681 PolarHBondContact O-NE 2.99Å; F377-R681 VanDerWaalsContact O-NE 3.12Å; F377-R681 PolarHBondContact O-NH1 2.71Å; D378-R681 IonicContact OD1-NH1 3.88Å; D378-R681 PolarHBondContact OD1-NH1 3.12Å; C379-R681 PolarHBondContact O-NH2 3.49Å; C379-R681 VanDerWaalsContact SG-CG 3.58Å; I624-R681 HydrophobicContact CD1-CB 3.53Å; P677-R681 WeakPolarHBondContact O-CG 3.4Å; P677-R681 PolarHBondContact O-N 2.98Å; Q678-R681 PolarHBondContact O-N 3.15Å; L679-R681 VanDerWaalsContact C-N 3.33Å; L679-R681 PolarHBondContact O-N 3.28Å
682	F	96.6	Very high	96.3	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-68	-43.4	178.5	176.6	-114.9	0	0	0	112.9	L606 W616 L619 A620 A623 W635 Q678 L679 R684 F685 V686	L606-F682 HydrophobicContact CD1-CZ 4.1Å; W616-F682 HydrophobicContact CZ3-CE1 4.48Å; L619-F682 HydrophobicContact CD2-CE1 4.07Å; L619-F682 HydrophobicContact CD2-CZ 4.33Å; L619-F682 HydrophobicContact CG-CE1 4.23Å; L619-F682 HydrophobicContact CG-CZ 4.36Å; A620-F682 HydrophobicContact CB-CB 3.72Å; A620-F682 HydrophobicContact CB-CD1 4.2Å; A620-F682 HydrophobicContact CB-CG 4.14Å; A623-F682 HydrophobicContact CB-CD2 3.61Å; A623-F682 HydrophobicContact CB-CE2 3.74Å; W635-F682 AromaticContact CD1-CE2 3.81Å; W635-F682 HydrophobicContact CG-CE2 4.29Å; W635-F682 HydrophobicContact CG-CZ 4.33Å; W635-F682 AromaticContact NE1-CE2 3.94Å; Q678-F682 WeakPolarHBondContact O-CB 3.09Å; Q678-F682 PolarHBondContact O-N 3.24Å; L679-F682 PolarHBondContact O-N 3.14Å; F682-R684 PolarHBondContact O-N 2.98Å; F682-F685 PolarHBondContact O-N 2.74Å; F682-V686 HydrophobicContact CD1-CG2 3.99Å; F682-V686 HydrophobicContact CE1-CG2 3.55Å; F682-V686 HydrophobicContact CZ-CG2 3.87Å
683	L	96.6	Very high	95.9	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-61.8	-18.6	-176.4	-73.3	179.5	0	0	0	114	W616 L666 V669 L679 H680 F685 V686 N745 F747	W616-L683 HydrophobicContact CE3-CD2 4.32Å; W616-L683 HydrophobicContact CH2-CD2 4.27Å; W616-L683 HydrophobicContact CZ3-CD2 3.71Å; L666-L683 HydrophobicContact CD2-CD1 3.82Å; L666-L683 HydrophobicContact CD2-CD2 3.96Å; V669-L683 HydrophobicContact CG1-CD1 3.71Å; L679-L683 HydrophobicContact CD1-CD1 4.12Å; L679-L683 HydrophobicContact CD1-CD2 4.12Å; L679-L683 HydrophobicContact CD1-CG 3.85Å; L679-L683 HydrophobicContact CG-CD1 3.96Å; L679-L683 HydrophobicContact CG-CG 4.14Å; L679-L683 WeakPolarHBondContact O-CB 3.5Å; L679-L683 VanDerWaalsContact O-CG 3.24Å; L679-L683 WeakPolarHBondContact O-CG 3.43Å; L679-L683 PolarHBondContact O-N 3.15Å; H680-L683 PolarHBondContact O-N 3.09Å; L683-F685 PolarHBondContact O-N 3.06Å; L683-V686 HydrophobicContact CD2-CB 4.16Å; L683-V686 HydrophobicContact CD2-CG2 4.03Å; L683-V686 PolarHBondContact O-N 3.26Å; L683-N745 PolarHBondContact O-ND2 2.8Å; L683-N745 PolarHBondContact O-OD1 3.38Å; L683-F747 HydrophobicContact CB-CZ 4.25Å; L683-F747 HydrophobicContact CD1-CZ 4.34Å; L683-F747 HydrophobicContact CD2-CE1 4.47Å; L683-F747 HydrophobicContact CD2-CZ 3.84Å; L683-F747 HydrophobicContact CG-CZ 4.36Å
684	R	93.4	Very high	95.3	Very high	78 Å²	78	24.1 Å²	24.1	29%	0.294	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-25	171.2	-61	178.3	70.5	-130.1	-4.4	113.2	E373 P376 F682	E373-R684 IonicContact OE1-CZ 2.99Å; E373-R684 IonicContact OE1-NH1 2.96Å; E373-R684 IonicContact OE1-NH2 3.82Å; E373-R684 PolarHBondContact OE1-NH2 3.3Å; E373-R684 IonicContact OE2-CZ 3.42Å; E373-R684 IonicContact OE2-NH1 3.36Å; E373-R684 PolarHBondContact OE2-NH1 3.35Å; E373-R684 IonicContact OE2-NH2 2.64Å; E373-R684 PolarHBondContact OE2-NH2 3.06Å; P376-R684 PolarHBondContact O-NH1 2.82Å; F682-R684 PolarHBondContact O-N 2.98Å
685	F	94.1	Very high	95	Very high	13 Å²	13	21.6 Å²	21.6	6%	0.057	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	-6	-178	-54.8	-77.1	0	0	0	113.3	P376 F377 H629 W635 F682 L683	P376-F685 HydrophobicContact CB-CE1 4.03Å; P376-F685 HydrophobicContact CB-CE2 4Å; P376-F685 HydrophobicContact CB-CZ 3.41Å; P376-F685 VanDerWaalsContact CB-CZ 3.41Å; P376-F685 WeakPolarHBondContact O-CE2 3.46Å; P376-F685 VanDerWaalsContact O-CZ 3.28Å; P376-F685 WeakPolarHBondContact O-CZ 3.46Å; F377-F685 HydrophobicContact CD1-CD2 4.37Å; F377-F685 AromaticContact CD1-CE2 3.97Å; F377-F685 HydrophobicContact CD1-CE2 3.97Å; F377-F685 AromaticContact CE1-CD2 3.97Å; F377-F685 HydrophobicContact CE1-CD2 3.97Å; F377-F685 AromaticContact CE1-CE2 3.97Å; F377-F685 HydrophobicContact CE1-CE2 3.97Å; H629-F685 AromaticContact CD2-CD1 3.64Å; H629-F685 AromaticContact CD2-CE1 3.54Å; H629-F685 AromaticContact CD2-CZ 4Å; H629-F685 AromaticContact NE2-CD1 3.83Å; H629-F685 AromaticContact NE2-CE1 3.46Å; H629-F685 WeakPolarHBondContact NE2-CE1 3.44Å; W635-F685 PolarHBondContact N-O 3.3Å; F682-F685 PolarHBondContact O-N 2.74Å; L683-F685 PolarHBondContact O-N 3.06Å
686	V	97	Very high	94.5	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	132.2	171.1	179.8	0	0	0	0	108.7	W635 V637 F682 L683 N745 F747	W635-V686 HydrophobicContact CB-CG2 4.14Å; W635-V686 CarbonylContact O-C 3.59Å; W635-V686 WeakPolarHBondContact O-CA 3.44Å; V637-V686 HydrophobicContact CG2-CG1 4.22Å; V637-V686 HydrophobicContact CG2-CG2 4.44Å; F682-V686 HydrophobicContact CD1-CG2 3.99Å; F682-V686 HydrophobicContact CE1-CG2 3.55Å; F682-V686 HydrophobicContact CZ-CG2 3.87Å; L683-V686 HydrophobicContact CD2-CB 4.16Å; L683-V686 HydrophobicContact CD2-CG2 4.03Å; L683-V686 PolarHBondContact O-N 3.26Å; V686-N745 PolarHBondContact O-ND2 2.68Å; V686-F747 HydrophobicContact CB-CD1 4.49Å; V686-F747 HydrophobicContact CB-CE1 3.99Å; V686-F747 HydrophobicContact CG1-CD1 4.06Å; V686-F747 HydrophobicContact CG1-CE1 3.94Å; V686-F747 WeakPolarHBondContact O-CE1 3.42Å
687	V	96.6	Very high	93.9	Very high	18 Å²	18	24.5 Å²	24.5	11%	0.109	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	-11.6	-173	-64	0	0	0	0	113.4	E603 R634 W635 L636 S748 G871	E603-V687 WeakPolarHBondContact OE1-CG2 3.48Å; R634-V687 HydrophobicContact CB-CG1 3.87Å; R634-V687 HydrophobicContact CB-CG2 3.88Å; R634-V687 HydrophobicContact CG-CG1 3.98Å; W635-V687 WeakPolarHBondContact O-CG2 3.3Å; W635-V687 PolarHBondContact O-N 3.35Å; L636-V687 HydrophobicContact CD1-CG2 3.93Å; V687-S748 PolarHBondContact O-N 2.8Å; V687-S748 PolarHBondContact O-OG 3.35Å; V687-S748 VanDerWaalsContact O-OG 3.1Å; V687-G871 VanDerWaalsContact CG1-O 3.28Å; V687-G871 WeakPolarHBondContact CG1-O 3.42Å
688	G	97.4	Very high	93.2	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.3	170.5	-179	0	0	0	0	0	115.1	L636 V637 S748	L636-G688 VanDerWaalsContact CA-O 3.32Å; L636-G688 WeakPolarHBondContact CA-O 3.36Å; V637-G688 PolarHBondContact N-O 2.85Å; G688-S748 CarbonylContact C-O 3.35Å; G688-S748 WeakPolarHBondContact CA-O 3.3Å
689	L	98.1	Very high	92.6	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	145.5	172.2	-60	-178.4	0	0	0	110.4	W616 V637 F663 M728 L732 S748 L749 R750	W616-L689 HydrophobicContact CH2-CD2 4.35Å; W616-L689 HydrophobicContact CZ2-CD2 4.41Å; V637-L689 HydrophobicContact CB-CD2 3.91Å; V637-L689 HydrophobicContact CG1-CD2 4.43Å; V637-L689 CarbonylContact O-C 3.48Å; V637-L689 VanDerWaalsContact O-CA 3.27Å; V637-L689 WeakPolarHBondContact O-CA 3.48Å; F663-L689 HydrophobicContact CE1-CD1 3.88Å; F663-L689 HydrophobicContact CZ-CD1 3.99Å; L689-M728 HydrophobicContact CB-CE 4.29Å; L689-L732 HydrophobicContact CD1-CD1 3.79Å; L689-L732 HydrophobicContact CG-CD1 4.37Å; L689-S748 PolarHBondContact N-O 2.92Å; L689-L749 HydrophobicContact CB-CD1 4.34Å; L689-R750 PolarHBondContact O-N 3.1Å
690	D	98.2	Very high	91.4	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	152.9	176.3	-162.6	-38.6	0	0	0	109.9	R605 V637 Q638 V639 V692 R750 P751 H752	R605-D690 IonicContact CZ-OD2 3.28Å; R605-D690 IonicContact NE-OD2 2.67Å; R605-D690 PolarHBondContact NE-OD2 3.33Å; R605-D690 IonicContact NH2-OD2 2.97Å; R605-D690 PolarHBondContact NH2-OD2 2.84Å; V637-D690 PolarHBondContact O-N 3.36Å; Q638-D690 CarbonylContact C-O 3.57Å; Q638-D690 WeakPolarHBondContact CA-O 3.1Å; Q638-D690 HydrophobicContact CB-CB 3.99Å; V639-D690 PolarHBondContact N-O 2.78Å; D690-V692 HydrophobicContact CB-CG1 4.47Å; D690-V692 WeakPolarHBondContact OD1-CG1 3.26Å; D690-R750 VanDerWaalsContact OD2-O 3.06Å; D690-P751 VanDerWaalsContact OD1-CA 3.23Å; D690-P751 WeakPolarHBondContact OD1-CA 3.47Å; D690-H752 VanDerWaalsContact CG-ND1 3.32Å; D690-H752 IonicContact OD1-CE1 3.6Å; D690-H752 IonicContact OD1-CG 2.69Å; D690-H752 PolarHBondContact OD1-N 2.91Å; D690-H752 IonicContact OD1-ND1 2.86Å; D690-H752 PolarHBondContact OD1-ND1 3.39Å; D690-H752 IonicContact OD2-CE1 3.9Å; D690-H752 PolarHBondContact OD2-CE1 3.31Å; D690-H752 IonicContact OD2-ND1 3.27Å; D690-H752 PolarHBondContact OD2-ND1 3.5Å
691	S	96.4	Very high	90.2	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	121.6	170.3	-174.2	0	0	0	0	109	V639 R641 H752	V639-S691 WeakPolarHBondContact O-CA 3.36Å; R641-S691 WeakPolarHBondContact CG-OG 3.22Å; R641-S691 PolarHBondContact NH1-O 3.39Å; R641-S691 PolarHBondContact NH1-OG 2.87Å; S691-H752 PolarHBondContact O-N 3.43Å
692	V	93	Very high	89.4	Confident	10 Å²	10	40.6 Å²	40.6	6%	0.061	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	175.5	-171	-55.3	0	0	0	0	112.1	H485 Q638 V639 P640 R641 D690 H752	H485-V692 WeakPolarHBondContact NE2-CG1 3.4Å; Q638-V692 HydrophobicContact CB-CG1 3.85Å; Q638-V692 HydrophobicContact CB-CG2 4.14Å; Q638-V692 HydrophobicContact CG-CG2 4.21Å; V639-V692 PolarHBondContact O-N 3.08Å; P640-V692 WeakPolarHBondContact CA-O 3.43Å; P640-V692 HydrophobicContact CB-CG2 4.07Å; P640-V692 HydrophobicContact CG-CG2 3.81Å; R641-V692 WeakPolarHBondContact CG-O 3.48Å; R641-V692 PolarHBondContact N-O 2.73Å; D690-V692 HydrophobicContact CB-CG1 4.47Å; D690-V692 WeakPolarHBondContact OD1-CG1 3.26Å; V692-H752 VanDerWaalsContact CG1-CE1 3.42Å; V692-H752 WeakPolarHBondContact CG1-CE1 3.2Å; V692-H752 WeakPolarHBondContact CG1-ND1 3.33Å
693	D	87.2	Confident	89.1	Confident	25 Å²	25	41.1 Å²	41.1	13%	0.134	21%	0.21	C	C	.	.	S	Bend	trans	112.3	162.9	-174.4	-173	38.2	0	0	0	112.7	R641 L642 E695 K697	R641-D693 HydrophobicContact CB-CB 4.24Å; R641-D693 PolarHBondContact NH2-O 2.84Å; L642-D693 HydrophobicContact CD2-CB 4.33Å; D693-E695 PolarHBondContact O-N 3.29Å; D693-K697 VanDerWaalsContact CG-NZ 3.32Å; D693-K697 IonicContact OD1-NZ 3.26Å; D693-K697 PolarHBondContact OD1-NZ 2.82Å; D693-K697 IonicContact OD2-NZ 3.95Å; D693-K697 PolarHBondContact OD2-NZ 2.86Å
694	D	85.4	Confident	88.7	Confident	25 Å²	25	44 Å²	44	13%	0.134	23%	0.225	C	C	.	.			trans	-54.4	99.8	-176.3	-176.4	2.7	0	0	0	113.3	F552 S696 K697	F552-D694 HydrophobicContact CB-CB 4.34Å; F552-D694 HydrophobicContact CD1-CB 3.54Å; F552-D694 HydrophobicContact CE1-CB 3.95Å; F552-D694 HydrophobicContact CG-CB 3.95Å; D694-S696 PolarHBondContact O-N 3.03Å; D694-S696 VanDerWaalsContact O-N 3.17Å; D694-S696 WeakPolarHBondContact OD1-CA 3.27Å; D694-S696 WeakPolarHBondContact OD1-CB 3.26Å; D694-S696 PolarHBondContact OD1-N 3.21Å; D694-S696 PolarHBondContact OD1-OG 3.23Å; D694-S696 PolarHBondContact OD2-OG 3.06Å; D694-K697 HydrophobicContact CB-CD 4.17Å; D694-K697 HydrophobicContact CB-CG 4.06Å; D694-K697 WeakPolarHBondContact O-CG 3.3Å; D694-K697 PolarHBondContact O-N 2.75Å
695	E	89.8	Confident	88.1	Confident	11 Å²	11	43 Å²	43	5%	0.051	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-20.3	174.9	-68.3	-177.7	-178.6	0	0	113	D693 K697 C753 G754 E755 A756 G757	D693-E695 PolarHBondContact O-N 3.29Å; E695-K697 VanDerWaalsContact C-N 3.27Å; E695-K697 PolarHBondContact O-N 2.98Å; E695-C753 WeakPolarHBondContact OE1-CA 3.42Å; E695-C753 PolarHBondContact OE1-N 2.68Å; E695-G754 PolarHBondContact OE1-N 2.86Å; E695-G754 VanDerWaalsContact OE2-CA 3.3Å; E695-G754 WeakPolarHBondContact OE2-CA 3.42Å; E695-G754 PolarHBondContact OE2-N 3.41Å; E695-E755 PolarHBondContact OE2-N 3.16Å; E695-A756 HydrophobicContact CB-CB 4.12Å; E695-A756 PolarHBondContact OE2-N 2.98Å; E695-G757 WeakPolarHBondContact O-CA 2.91Å; E695-G757 PolarHBondContact O-N 3Å
696	S	85.5	Confident	87.9	Confident	63 Å²	63	52.8 Å²	52.8	44%	0.441	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-9.2	-177.9	81.7	0	0	0	0	114.3	D694 T698	D694-S696 PolarHBondContact O-N 3.03Å; D694-S696 VanDerWaalsContact O-N 3.17Å; D694-S696 WeakPolarHBondContact OD1-CA 3.27Å; D694-S696 WeakPolarHBondContact OD1-CB 3.26Å; D694-S696 PolarHBondContact OD1-N 3.21Å; D694-S696 PolarHBondContact OD1-OG 3.23Å; D694-S696 PolarHBondContact OD2-OG 3.06Å; S696-T698 PolarHBondContact O-N 2.94Å
697	K	84	Confident	87.6	Confident	83 Å²	83	53.7 Å²	53.7	36%	0.361	28%	0.282	S	S	.	.	S	Bend	trans	-57.6	134.1	172.3	-71.4	174.3	177.4	173.4	0	110.6	D693 D694 E695 E699	D693-K697 VanDerWaalsContact CG-NZ 3.32Å; D693-K697 IonicContact OD1-NZ 3.26Å; D693-K697 PolarHBondContact OD1-NZ 2.82Å; D693-K697 IonicContact OD2-NZ 3.95Å; D693-K697 PolarHBondContact OD2-NZ 2.86Å; D694-K697 HydrophobicContact CB-CD 4.17Å; D694-K697 HydrophobicContact CB-CG 4.06Å; D694-K697 WeakPolarHBondContact O-CG 3.3Å; D694-K697 PolarHBondContact O-N 2.75Å; E695-K697 VanDerWaalsContact C-N 3.27Å; E695-K697 PolarHBondContact O-N 2.98Å; K697-E699 PolarHBondContact O-N 3.23Å
698	T	80.8	Confident	87.5	Confident	122 Å²	122	55.6 Å²	55.6	75%	0.748	29%	0.293	S	S	*	.			trans	-75.5	115.7	-178.8	53.9	0	0	0	0	112	S696	S696-T698 PolarHBondContact O-N 2.94Å
699	E	83.8	Confident	87.3	Confident	80 Å²	80	57 Å²	57	37%	0.374	30%	0.301	S	S	.	.			trans	-79.4	125.4	170.9	-59.4	176.1	160.5	0	0	110.3	K697 P720 Y721 H761	K697-E699 PolarHBondContact O-N 3.23Å; E699-P720 HydrophobicContact CB-CB 4.34Å; E699-P720 HydrophobicContact CG-CB 4.28Å; E699-Y721 WeakPolarHBondContact OE1-CB 3.47Å; E699-Y721 PolarHBondContact OE1-N 2.93Å; E699-H761 VanDerWaalsContact CD-NE2 3.26Å; E699-H761 IonicContact OE1-CD2 2.79Å; E699-H761 IonicContact OE1-CE1 3.58Å; E699-H761 IonicContact OE1-NE2 2.87Å; E699-H761 PolarHBondContact OE1-NE2 3.37Å; E699-H761 IonicContact OE2-CD2 3.72Å; E699-H761 IonicContact OE2-NE2 3.61Å; E699-H761 PolarHBondContact OE2-NE2 3.2Å
700	Q	72.3	Confident	87.2	Confident	102 Å²	102	56.9 Å²	56.9	48%	0.477	30%	0.301	S	S	.	.			trans	-97	-31.9	177.8	-66.8	-176.5	90.2	0	0	112.8	E717	Q700-E717 WeakPolarHBondContact CB-OE2 3.44Å; Q700-E717 PolarHBondContact NE2-OE1 2.83Å; Q700-E717 PolarHBondContact NE2-OE2 3.05Å
701	V	72.2	Confident	87	Confident	50 Å²	50	59.5 Å²	59.5	30%	0.303	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-84.9	122	-179.4	-175	0	0	0	0	110.3	W713	V701-W713 HydrophobicContact CB-CH2 4.06Å; V701-W713 HydrophobicContact CG1-CH2 3.88Å; V701-W713 HydrophobicContact CG1-CZ3 4.33Å; V701-W713 HydrophobicContact CG2-CH2 3.98Å; V701-W713 HydrophobicContact CG2-CZ2 4.41Å
702	Q	79.9	Confident	86.9	Confident	171 Å²	171	64.8 Å²	64.8	80%	0.799	34%	0.34	S	S	*	.	P	Polyproline II helix	trans	-88.9	136.5	169.7	-65.3	-169	-16.6	0	0	110.1	D704	Q702-D704 PolarHBondContact O-N 3.4Å
703	I	88.8	Confident	87	Confident	11 Å²	11	64.8 Å²	64.8	6%	0.056	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-70.9	124.2	173.8	-64.3	-61.7	0	0	0	109.9	F417 F420 V421 F424 T707 P720 A722 Y723	F417-I703 HydrophobicContact CZ-CG2 4.34Å; F420-I703 HydrophobicContact CE1-CG2 3.78Å; F420-I703 HydrophobicContact CZ-CG2 3.88Å; V421-I703 HydrophobicContact CG2-CG2 3.85Å; F424-I703 HydrophobicContact CD1-CB 4.36Å; F424-I703 HydrophobicContact CD1-CG2 4.25Å; F424-I703 HydrophobicContact CE1-CB 4.09Å; F424-I703 HydrophobicContact CE1-CG2 4.47Å; I703-T707 HydrophobicContact CD1-CG2 3.88Å; I703-P720 HydrophobicContact CD1-CG 3.71Å; I703-P720 HydrophobicContact CG1-CG 4.02Å; I703-A722 HydrophobicContact CG1-CB 4.11Å; I703-Y723 HydrophobicContact CD1-CD2 3.84Å; I703-Y723 HydrophobicContact CD1-CG 4.48Å
704	D	87.8	Confident	87.2	Confident	60 Å²	60	68 Å²	68	32%	0.321	36%	0.359	S	S	.	.			trans	-148	-179.6	176.1	79.4	-12.7	0	0	0	111.4	Q702 R706 T707	Q702-D704 PolarHBondContact O-N 3.4Å; D704-R706 PolarHBondContact O-N 2.85Å; D704-R706 WeakPolarHBondContact OD1-CA 3.38Å; D704-R706 WeakPolarHBondContact OD1-CB 3.38Å; D704-R706 PolarHBondContact OD1-N 2.81Å; D704-T707 PolarHBondContact N-OG1 3.33Å; D704-T707 WeakPolarHBondContact O-CB 3.45Å; D704-T707 PolarHBondContact O-N 3.34Å; D704-T707 VanDerWaalsContact O-N 3.15Å; D704-T707 PolarHBondContact O-OG1 2.84Å; D704-T707 VanDerWaalsContact O-OG1 3.11Å; D704-T707 PolarHBondContact OD1-N 2.81Å; D704-T707 PolarHBondContact OD1-OG1 2.94Å
705	G	82.6	Confident	87.3	Confident	58 Å²	58	70.6 Å²	70.6	60%	0.598	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	8.1	177.8	0	0	0	0	0	115.3
706	R	88.5	Confident	87	Confident	218 Å²	218	74.6 Å²	74.6	82%	0.823	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113	-5.4	173.6	-57.6	174.5	176.5	176.4	0.8	112	D704 V708	D704-R706 PolarHBondContact O-N 2.85Å; D704-R706 WeakPolarHBondContact OD1-CA 3.38Å; D704-R706 WeakPolarHBondContact OD1-CB 3.38Å; D704-R706 PolarHBondContact OD1-N 2.81Å; R706-V708 PolarHBondContact O-N 2.95Å
707	T	92	Very high	87.1	Confident	20 Å²	20	74.5 Å²	74.5	12%	0.123	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-63	129.7	178.9	-58	0	0	0	0	109.7	F417 I703 D704 W713 Y723	F417-T707 HydrophobicContact CE1-CG2 4.36Å; F417-T707 HydrophobicContact CZ-CG2 3.81Å; I703-T707 HydrophobicContact CD1-CG2 3.88Å; D704-T707 PolarHBondContact N-OG1 3.33Å; D704-T707 WeakPolarHBondContact O-CB 3.45Å; D704-T707 PolarHBondContact O-N 3.34Å; D704-T707 VanDerWaalsContact O-N 3.15Å; D704-T707 PolarHBondContact O-OG1 2.84Å; D704-T707 VanDerWaalsContact O-OG1 3.11Å; D704-T707 PolarHBondContact OD1-N 2.81Å; D704-T707 PolarHBondContact OD1-OG1 2.94Å; T707-W713 HydrophobicContact CG2-CZ3 4.19Å; T707-Y723 HydrophobicContact CG2-CD2 3.98Å; T707-Y723 HydrophobicContact CG2-CE2 3.72Å
708	V	93.4	Very high	87.4	Confident	58 Å²	58	72.4 Å²	72.4	35%	0.352	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-72.9	156.8	-173.8	-60.7	0	0	0	0	112.2	R706 Q712 W713 Y723	R706-V708 PolarHBondContact O-N 2.95Å; V708-Q712 HydrophobicContact CB-CB 3.89Å; V708-Q712 HydrophobicContact CG2-CB 4.3Å; V708-W713 HydrophobicContact CG2-CB 4.11Å; V708-W713 HydrophobicContact CG2-CD2 4.46Å; V708-W713 HydrophobicContact CG2-CE3 3.92Å; V708-Y723 WeakPolarHBondContact O-CE2 3.4Å; V708-Y723 PolarHBondContact O-OH 3.5Å
709	T	94.3	Very high	88	Confident	28 Å²	28	66.8 Å²	66.8	17%	0.172	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-76.4	161.6	175.1	48.8	0	0	0	0	112.1	K393 D711 Q712 W713 Y723 Y727	K393-T709 HydrophobicContact CB-CG2 4.26Å; K393-T709 HydrophobicContact CD-CG2 4.36Å; T709-D711 WeakPolarHBondContact CB-OD1 3.38Å; T709-D711 PolarHBondContact O-N 3.41Å; T709-D711 VanDerWaalsContact O-N 3.14Å; T709-D711 PolarHBondContact OG1-OD1 3.3Å; T709-Q712 CarbonylContact O-C 3.46Å; T709-Q712 WeakPolarHBondContact O-CA 3.45Å; T709-Q712 WeakPolarHBondContact O-CB 3.3Å; T709-Q712 PolarHBondContact O-N 3.31Å; T709-W713 PolarHBondContact O-N 2.91Å; T709-Y723 PolarHBondContact O-OH 3.28Å; T709-Y727 WeakPolarHBondContact CA-OH 3.49Å
710	A	94.8	Very high	88.5	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-30.3	-172.3	0	0	0	0	0	114.6	F655 Q656 Q712 Y723 Y727	F655-A710 HydrophobicContact CD1-CB 3.88Å; F655-A710 PolarHBondContact N-O 3.1Å; Q656-A710 HydrophobicContact CB-CB 3.97Å; Q656-A710 PolarHBondContact N-O 3.18Å; A710-Q712 PolarHBondContact O-N 3.17Å; A710-Y723 WeakPolarHBondContact CA-OH 3.44Å; A710-Y723 PolarHBondContact N-OH 2.84Å; A710-Y727 HydrophobicContact CB-CD1 4.33Å; A710-Y727 HydrophobicContact CB-CD2 4.46Å; A710-Y727 HydrophobicContact CB-CE1 3.86Å; A710-Y727 HydrophobicContact CB-CE2 4.03Å; A710-Y727 PolarHBondContact N-OH 3.08Å; A710-Y727 VanDerWaalsContact N-OH 3.09Å
711	D	94.7	Very high	89.6	Confident	54 Å²	54	58.5 Å²	58.5	29%	0.289	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-20.9	173.7	58.5	-48.7	0	0	0	113.3	K393 N654 Q656 T709	K393-D711 WeakPolarHBondContact CA-OD1 3.32Å; N654-D711 WeakPolarHBondContact ND2-CA 3.48Å; N654-D711 PolarHBondContact ND2-O 3.09Å; Q656-D711 HydrophobicContact CB-CB 4.47Å; T709-D711 WeakPolarHBondContact CB-OD1 3.38Å; T709-D711 PolarHBondContact O-N 3.41Å; T709-D711 VanDerWaalsContact O-N 3.14Å; T709-D711 PolarHBondContact OG1-OD1 3.3Å
712	Q	94.9	Very high	90.7	Very high	112 Å²	112	56.3 Å²	56.3	52%	0.523	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	-13.8	-177.2	-62.8	-178.7	-9.4	0	0	113	V708 T709 A710 V714	V708-Q712 HydrophobicContact CB-CB 3.89Å; V708-Q712 HydrophobicContact CG2-CB 4.3Å; T709-Q712 CarbonylContact O-C 3.46Å; T709-Q712 WeakPolarHBondContact O-CA 3.45Å; T709-Q712 WeakPolarHBondContact O-CB 3.3Å; T709-Q712 PolarHBondContact O-N 3.31Å; A710-Q712 PolarHBondContact O-N 3.17Å; Q712-V714 PolarHBondContact O-N 3.42Å
713	W	93.8	Very high	91.4	Very high	10 Å²	10	48.2 Å²	48.2	4%	0.038	26%	0.264	C	S	.	.			trans	-73.1	99.6	173.5	-166.5	-68.4	0	0	0	110.2	Y643 N654 F655 V701 T707 V708 T709 E717 P719 Y723	Y643-W713 AromaticContact CE1-CD1 3.76Å; Y643-W713 PolarHBondContact OH-O 3.12Å; N654-W713 CarbonylContact C-O 3.6Å; N654-W713 WeakPolarHBondContact CA-O 3.23Å; N654-W713 WeakPolarHBondContact CB-O 3.36Å; F655-W713 HydrophobicContact CB-CB 3.86Å; F655-W713 HydrophobicContact CB-CG 4.24Å; F655-W713 PolarHBondContact N-O 3.33Å; V701-W713 HydrophobicContact CB-CH2 4.06Å; V701-W713 HydrophobicContact CG1-CH2 3.88Å; V701-W713 HydrophobicContact CG1-CZ3 4.33Å; V701-W713 HydrophobicContact CG2-CH2 3.98Å; V701-W713 HydrophobicContact CG2-CZ2 4.41Å; T707-W713 HydrophobicContact CG2-CZ3 4.19Å; V708-W713 HydrophobicContact CG2-CB 4.11Å; V708-W713 HydrophobicContact CG2-CD2 4.46Å; V708-W713 HydrophobicContact CG2-CE3 3.92Å; T709-W713 PolarHBondContact O-N 2.91Å; W713-E717 PolarHBondContact NE1-O 3.49Å; W713-P719 HydrophobicContact CD2-CB 4.45Å; W713-P719 HydrophobicContact CD2-CG 4.07Å; W713-P719 HydrophobicContact CG-CG 4.32Å; W713-P719 HydrophobicContact CH2-CB 4.27Å; W713-P719 HydrophobicContact CZ2-CB 4.02Å; W713-P719 HydrophobicContact CZ2-CG 4.03Å; W713-Y723 HydrophobicContact CB-CE1 4.46Å; W713-Y723 HydrophobicContact CD2-CE1 4.29Å; W713-Y723 HydrophobicContact CE3-CD2 4.48Å; W713-Y723 AromaticContact CE3-CE1 3.94Å; W713-Y723 HydrophobicContact CE3-CE1 3.94Å; W713-Y723 AromaticContact CE3-CE2 3.94Å; W713-Y723 HydrophobicContact CE3-CE2 3.94Å; W713-Y723 AromaticContact CE3-CZ 3.61Å; W713-Y723 HydrophobicContact CZ3-CD2 4.38Å; W713-Y723 HydrophobicContact CZ3-CE2 4.19Å
714	V	92.1	Very high	91.7	Very high	93 Å²	93	47.8 Å²	47.8	56%	0.564	26%	0.262	S	S	*	.			trans	-117.4	4.1	178.5	-59.3	0	0	0	0	112.8	Q647 R653 N654 Q712	Q647-V714 PolarHBondContact NE2-O 3.18Å; R653-V714 WeakPolarHBondContact O-CG1 3.3Å; N654-V714 HydrophobicContact CB-CG1 4.01Å; Q712-V714 PolarHBondContact O-N 3.42Å
715	D	86.9	Confident	92.2	Very high	79 Å²	79	45 Å²	45	42%	0.422	25%	0.247	S	C	.	.			trans	-63	149.4	-177.4	-153.4	-47.5	0	0	0	111.3	E717	D715-E717 VanDerWaalsContact C-N 3.29Å; D715-E717 PolarHBondContact OD1-N 2.9Å
716	S	84.9	Confident	92.9	Very high	94 Å²	94	42.4 Å²	42.4	66%	0.657	22%	0.219	S	C	*	.	S	Bend	trans	-69.3	-24.2	168.4	57.7	0	0	0	0	113.4
717	E	86.7	Confident	93.3	Very high	61 Å²	61	32.1 Å²	32.1	29%	0.285	18%	0.18	S	C	.	.	S	Bend	trans	-77.6	140.7	174.8	-60.1	-152.6	164.4	0	0	111.7	Q700 W713 D715	Q700-E717 WeakPolarHBondContact CB-OE2 3.44Å; Q700-E717 PolarHBondContact NE2-OE1 2.83Å; Q700-E717 PolarHBondContact NE2-OE2 3.05Å; W713-E717 PolarHBondContact NE1-O 3.49Å; D715-E717 VanDerWaalsContact C-N 3.29Å; D715-E717 PolarHBondContact OD1-N 2.9Å
718	N	90	Very high	93.6	Very high	40 Å²	40	31.2 Å²	31.2	21%	0.214	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-63.5	133.9	179.3	-156.1	12.8	0	0	0	110.2	R641 D644 Y724	R641-N718 PolarHBondContact O-ND2 3.03Å; D644-N718 HydrophobicContact CB-CB 3.75Å; N718-Y724 WeakPolarHBondContact OD1-CE2 3.38Å; N718-Y724 PolarHBondContact OD1-OH 3Å
719	P	93.3	Very high	93.8	Very high	4 Å²	4	28.5 Å²	28.5	3%	0.026	16%	0.158	C	C	.	.	P	Polyproline II helix	trans	-55.4	144.4	170.7	-21.7	28	0	0	0	112	Y643 F655 W713 Y723 Y724	Y643-P719 HydrophobicContact CD1-CG 4.23Å; F655-P719 HydrophobicContact CD2-CG 3.71Å; F655-P719 HydrophobicContact CE2-CG 3.9Å; F655-P719 HydrophobicContact CG-CG 4.21Å; W713-P719 HydrophobicContact CD2-CB 4.45Å; W713-P719 HydrophobicContact CD2-CG 4.07Å; W713-P719 HydrophobicContact CG-CG 4.32Å; W713-P719 HydrophobicContact CH2-CB 4.27Å; W713-P719 HydrophobicContact CZ2-CB 4.02Å; W713-P719 HydrophobicContact CZ2-CG 4.03Å; P719-Y723 HydrophobicContact CB-CD1 3.46Å; P719-Y723 VanDerWaalsContact CB-CD1 3.46Å; P719-Y723 HydrophobicContact CB-CE1 4.19Å; P719-Y723 HydrophobicContact CB-CG 3.94Å; P719-Y723 HydrophobicContact CG-CD1 4.06Å; P719-Y723 HydrophobicContact CG-CE1 4.39Å; P719-Y724 HydrophobicContact CB-CD2 4.13Å; P719-Y724 HydrophobicContact CB-CE2 3.94Å; P719-Y724 HydrophobicContact CG-CE2 4.19Å; P719-Y724 VanDerWaalsContact O-CE2 3.3Å; P719-Y724 WeakPolarHBondContact O-CE2 3.39Å
720	P	93.9	Very high	94	Very high	5 Å²	5	27.2 Å²	27.2	3%	0.032	15%	0.15	C	C	.	.	P	Polyproline II helix	trans	-65.7	155.2	178.4	28.8	-35	0	0	0	110.7	E699 I703 A722 Y723 Y724	E699-P720 HydrophobicContact CB-CB 4.34Å; E699-P720 HydrophobicContact CG-CB 4.28Å; I703-P720 HydrophobicContact CD1-CG 3.71Å; I703-P720 HydrophobicContact CG1-CG 4.02Å; P720-A722 PolarHBondContact O-N 3.43Å; P720-A722 VanDerWaalsContact O-N 3.08Å; P720-Y723 WeakPolarHBondContact O-CA 3.47Å; P720-Y723 WeakPolarHBondContact O-CB 3.31Å; P720-Y723 PolarHBondContact O-N 2.9Å; P720-Y724 PolarHBondContact O-N 3.1Å
721	Y	95.2	Very high	94.1	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.008	15%	0.15	C	C	.	.	H	α-helix	trans	-49	-39.1	-178.3	176.2	-87.3	0	0	0	113.6	R641 E699 Y723 Y724 L725 H752 C753 H761 I764	R641-Y721 VanDerWaalsContact NH1-CE2 3.31Å; E699-Y721 WeakPolarHBondContact OE1-CB 3.47Å; E699-Y721 PolarHBondContact OE1-N 2.93Å; Y721-Y723 VanDerWaalsContact C-N 3.3Å; Y721-Y723 PolarHBondContact O-N 3.35Å; Y721-Y724 PolarHBondContact O-N 3.01Å; Y721-L725 HydrophobicContact CD1-CD1 4.13Å; Y721-L725 HydrophobicContact CD1-CG 4.46Å; Y721-L725 HydrophobicContact CE1-CD1 3.33Å; Y721-L725 HydrophobicContact CE1-CG 4.02Å; Y721-L725 PolarHBondContact O-N 3.22Å; Y721-L725 WeakPolarHBondContact OH-CD1 3.47Å; Y721-H752 WeakPolarHBondContact CE2-O 3.49Å; Y721-H752 PolarHBondContact OH-O 3.05Å; Y721-C753 WeakPolarHBondContact OH-CB 3.49Å; Y721-C753 PolarHBondContact OH-SG 3.19Å; Y721-H761 VanDerWaalsContact CB-CD2 3.46Å; Y721-H761 WeakPolarHBondContact CB-CD2 3.05Å; Y721-H761 WeakPolarHBondContact CB-NE2 3.18Å; Y721-H761 HydrophobicContact CD1-CB 3.79Å; Y721-H761 AromaticContact CD1-CD2 3.51Å; Y721-H761 AromaticContact CD1-CG 3.77Å; Y721-H761 HydrophobicContact CE1-CB 3.72Å; Y721-H761 HydrophobicContact CG-CB 4.37Å; Y721-H761 AromaticContact CG-CD2 3.56Å; Y721-H761 AromaticContact CG-CG 3.91Å; Y721-H761 AromaticContact CG-NE2 3.85Å; Y721-I764 HydrophobicContact CD1-CG2 3.65Å; Y721-I764 HydrophobicContact CE1-CG2 3.54Å
722	A	95.4	Very high	94.2	Very high	5 Å²	5	24.6 Å²	24.6	4%	0.041	14%	0.136	C	C	.	.	H	α-helix	trans	-66.3	-28	177.3	0	0	0	0	0	113.7	F420 F424 I703 P720 Y726 I764	F420-A722 HydrophobicContact CZ-CB 4.41Å; F424-A722 HydrophobicContact CE1-CB 4.36Å; F424-A722 HydrophobicContact CE2-CB 4.28Å; F424-A722 HydrophobicContact CZ-CB 3.89Å; I703-A722 HydrophobicContact CG1-CB 4.11Å; P720-A722 PolarHBondContact O-N 3.43Å; P720-A722 VanDerWaalsContact O-N 3.08Å; A722-Y726 VanDerWaalsContact O-CB 3.31Å; A722-Y726 WeakPolarHBondContact O-CB 3.04Å; A722-Y726 PolarHBondContact O-N 3.29Å; A722-I764 HydrophobicContact CB-CB 4.31Å; A722-I764 HydrophobicContact CB-CG1 4.29Å; A722-I764 HydrophobicContact CB-CG2 4.15Å
723	Y	95.5	Very high	94.3	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-69.5	-48.7	174.5	-160.7	-103.3	0	0	0	111.1	F417 F655 I703 T707 V708 T709 A710 W713 P719 P720 Y721 Y726 Y727	F417-Y723 HydrophobicContact CE2-CD2 4.28Å; F417-Y723 HydrophobicContact CE2-CE2 4.21Å; F417-Y723 HydrophobicContact CZ-CE2 4.43Å; F655-Y723 AromaticContact CD1-CD1 3.92Å; F655-Y723 HydrophobicContact CD1-CD1 3.92Å; F655-Y723 AromaticContact CD1-CE1 3.46Å; F655-Y723 HydrophobicContact CD1-CE1 3.46Å; F655-Y723 VanDerWaalsContact CD1-CE1 3.46Å; F655-Y723 AromaticContact CE1-CD1 3.72Å; F655-Y723 HydrophobicContact CE1-CD1 3.72Å; F655-Y723 AromaticContact CE1-CE1 3.75Å; F655-Y723 HydrophobicContact CE1-CE1 3.75Å; F655-Y723 HydrophobicContact CG-CE1 4.09Å; F655-Y723 HydrophobicContact CZ-CD1 4.25Å; I703-Y723 HydrophobicContact CD1-CD2 3.84Å; I703-Y723 HydrophobicContact CD1-CG 4.48Å; T707-Y723 HydrophobicContact CG2-CD2 3.98Å; T707-Y723 HydrophobicContact CG2-CE2 3.72Å; V708-Y723 WeakPolarHBondContact O-CE2 3.4Å; V708-Y723 PolarHBondContact O-OH 3.5Å; T709-Y723 PolarHBondContact O-OH 3.28Å; A710-Y723 WeakPolarHBondContact CA-OH 3.44Å; A710-Y723 PolarHBondContact N-OH 2.84Å; W713-Y723 HydrophobicContact CB-CE1 4.46Å; W713-Y723 HydrophobicContact CD2-CE1 4.29Å; W713-Y723 HydrophobicContact CE3-CD2 4.48Å; W713-Y723 AromaticContact CE3-CE1 3.94Å; W713-Y723 HydrophobicContact CE3-CE1 3.94Å; W713-Y723 AromaticContact CE3-CE2 3.94Å; W713-Y723 HydrophobicContact CE3-CE2 3.94Å; W713-Y723 AromaticContact CE3-CZ 3.61Å; W713-Y723 HydrophobicContact CZ3-CD2 4.38Å; W713-Y723 HydrophobicContact CZ3-CE2 4.19Å; P719-Y723 HydrophobicContact CB-CD1 3.46Å; P719-Y723 VanDerWaalsContact CB-CD1 3.46Å; P719-Y723 HydrophobicContact CB-CE1 4.19Å; P719-Y723 HydrophobicContact CB-CG 3.94Å; P719-Y723 HydrophobicContact CG-CD1 4.06Å; P719-Y723 HydrophobicContact CG-CE1 4.39Å; P720-Y723 WeakPolarHBondContact O-CA 3.47Å; P720-Y723 WeakPolarHBondContact O-CB 3.31Å; P720-Y723 PolarHBondContact O-N 2.9Å; Y721-Y723 VanDerWaalsContact C-N 3.3Å; Y721-Y723 PolarHBondContact O-N 3.35Å; Y723-Y726 PolarHBondContact O-N 3.14Å; Y723-Y727 AromaticContact CD1-CD2 3.88Å; Y723-Y727 HydrophobicContact CD1-CD2 3.88Å; Y723-Y727 AromaticContact CD1-CE2 3.98Å; Y723-Y727 HydrophobicContact CD1-CE2 3.98Å; Y723-Y727 HydrophobicContact CD2-CE2 4.13Å; Y723-Y727 AromaticContact CE1-CD2 3.83Å; Y723-Y727 HydrophobicContact CE1-CD2 3.83Å; Y723-Y727 AromaticContact CE1-CE2 3.56Å; Y723-Y727 HydrophobicContact CE1-CE2 3.56Å; Y723-Y727 HydrophobicContact CE2-CD2 4.5Å; Y723-Y727 AromaticContact CE2-CE2 3.7Å; Y723-Y727 HydrophobicContact CE2-CE2 3.7Å; Y723-Y727 HydrophobicContact CG-CD2 4.29Å; Y723-Y727 HydrophobicContact CG-CE2 4.27Å; Y723-Y727 AromaticContact CZ-CE2 3.42Å; Y723-Y727 VanDerWaalsContact CZ-CE2 3.42Å; Y723-Y727 WeakPolarHBondContact O-CD2 3.09Å; Y723-Y727 PolarHBondContact O-N 3.34Å; Y723-Y727 VanDerWaalsContact O-N 3.1Å
724	Y	96.1	Very high	94.4	Very high	3 Å²	3	18.8 Å²	18.8	1%	0.012	11%	0.11	C	C	.	.	H	α-helix	trans	-55.2	-53.5	174.3	-83.7	-90.5	0	0	0	111.1	R641 L642 Y643 F655 M658 N718 P719 P720 Y721 Y726 Y727 M728	R641-Y724 HydrophobicContact CB-CD1 4.39Å; R641-Y724 HydrophobicContact CB-CD2 4.29Å; R641-Y724 HydrophobicContact CB-CE1 4.01Å; R641-Y724 HydrophobicContact CB-CE2 3.9Å; R641-Y724 HydrophobicContact CB-CG 4.5Å; R641-Y724 HydrophobicContact CG-CD1 3.9Å; R641-Y724 HydrophobicContact CG-CD2 4.02Å; R641-Y724 HydrophobicContact CG-CE1 4.03Å; R641-Y724 HydrophobicContact CG-CE2 4.15Å; R641-Y724 HydrophobicContact CG-CG 3.87Å; R641-Y724 PolarHBondContact O-OH 3.2Å; L642-Y724 PolarHBondContact N-OH 3.34Å; Y643-Y724 WeakPolarHBondContact CB-OH 3.45Å; Y643-Y724 PolarHBondContact N-OH 3.38Å; F655-Y724 AromaticContact CE2-CD1 3.99Å; F655-Y724 HydrophobicContact CE2-CD1 3.99Å; F655-Y724 AromaticContact CE2-CE1 3.58Å; F655-Y724 HydrophobicContact CE2-CE1 3.58Å; F655-Y724 HydrophobicContact CE2-CE2 4.26Å; F655-Y724 AromaticContact CE2-CZ 3.75Å; F655-Y724 AromaticContact CZ-CD1 3.73Å; F655-Y724 HydrophobicContact CZ-CD1 3.73Å; F655-Y724 HydrophobicContact CZ-CD2 4.5Å; F655-Y724 AromaticContact CZ-CE1 3.84Å; F655-Y724 HydrophobicContact CZ-CE1 3.84Å; F655-Y724 HydrophobicContact CZ-CG 4.1Å; M658-Y724 HydrophobicContact CE-CE1 4.03Å; M658-Y724 HydrophobicContact SD-CE1 4.32Å; N718-Y724 WeakPolarHBondContact OD1-CE2 3.38Å; N718-Y724 PolarHBondContact OD1-OH 3Å; P719-Y724 HydrophobicContact CB-CD2 4.13Å; P719-Y724 HydrophobicContact CB-CE2 3.94Å; P719-Y724 HydrophobicContact CG-CE2 4.19Å; P719-Y724 VanDerWaalsContact O-CE2 3.3Å; P719-Y724 WeakPolarHBondContact O-CE2 3.39Å; P720-Y724 PolarHBondContact O-N 3.1Å; Y721-Y724 PolarHBondContact O-N 3.01Å; Y724-Y726 VanDerWaalsContact C-N 3.32Å; Y724-Y726 PolarHBondContact O-N 3.41Å; Y724-Y727 PolarHBondContact O-N 2.98Å; Y724-M728 WeakPolarHBondContact O-CB 3.36Å; Y724-M728 VanDerWaalsContact O-CG 3.29Å; Y724-M728 WeakPolarHBondContact O-CG 3.5Å; Y724-M728 PolarHBondContact O-N 3.12Å
725	L	97	Very high	94.6	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-64.4	-34.1	-179.6	-76.2	-168.1	0	0	0	113.3	Y721 M728 Y729 L749 P751 I764	Y721-L725 HydrophobicContact CD1-CD1 4.13Å; Y721-L725 HydrophobicContact CD1-CG 4.46Å; Y721-L725 HydrophobicContact CE1-CD1 3.33Å; Y721-L725 HydrophobicContact CE1-CG 4.02Å; Y721-L725 PolarHBondContact O-N 3.22Å; Y721-L725 WeakPolarHBondContact OH-CD1 3.47Å; L725-M728 HydrophobicContact CD2-SD 4.45Å; L725-Y729 WeakPolarHBondContact O-CB 3.35Å; L725-Y729 PolarHBondContact O-N 3.34Å; L725-L749 HydrophobicContact CD2-CD1 4.42Å; L725-L749 HydrophobicContact CD2-CD2 4.33Å; L725-P751 HydrophobicContact CD1-CG 4.11Å; L725-P751 HydrophobicContact CD2-CB 3.94Å; L725-P751 HydrophobicContact CD2-CG 4.11Å; L725-I764 HydrophobicContact CB-CG1 3.99Å; L725-I764 HydrophobicContact CD1-CG1 4.22Å; L725-I764 HydrophobicContact CD1-CG2 3.91Å
726	Y	97.5	Very high	95.1	Very high	5 Å²	5	10.6 Å²	10.6	2%	0.02	6%	0.063	C	C	.	.	H	α-helix	trans	-60.5	-50.6	173.5	166.1	-90.3	0	0	0	111.9	T415 F417 F420 A722 Y723 Y724 M728 Y729 A730 F768	T415-Y726 HydrophobicContact CG2-CE2 4.05Å; T415-Y726 PolarHBondContact O-OH 3.42Å; F417-Y726 WeakPolarHBondContact CA-OH 3.5Å; F417-Y726 AromaticContact CD2-CD1 3.9Å; F417-Y726 HydrophobicContact CD2-CD1 3.9Å; F417-Y726 HydrophobicContact CD2-CD2 4.45Å; F417-Y726 AromaticContact CD2-CE1 3.57Å; F417-Y726 HydrophobicContact CD2-CE1 3.57Å; F417-Y726 HydrophobicContact CD2-CE2 4.11Å; F417-Y726 HydrophobicContact CD2-CG 4.34Å; F417-Y726 AromaticContact CD2-CZ 3.66Å; F417-Y726 HydrophobicContact CE2-CD1 4.13Å; F417-Y726 HydrophobicContact CE2-CE1 4.25Å; F417-Y726 HydrophobicContact CE2-CG 4.48Å; F417-Y726 PolarHBondContact N-OH 3.07Å; F420-Y726 HydrophobicContact CB-CD2 3.6Å; F420-Y726 HydrophobicContact CB-CE2 3.69Å; F420-Y726 AromaticContact CD1-CD2 3.26Å; F420-Y726 HydrophobicContact CD1-CD2 3.26Å; F420-Y726 AromaticContact CD1-CE2 3.8Å; F420-Y726 HydrophobicContact CD1-CE2 3.8Å; F420-Y726 AromaticContact CD1-CG 3.74Å; F420-Y726 HydrophobicContact CD1-CG 3.74Å; F420-Y726 HydrophobicContact CD2-CD2 4.16Å; F420-Y726 AromaticContact CE1-CD2 3.95Å; F420-Y726 HydrophobicContact CE1-CD2 3.95Å; F420-Y726 AromaticContact CE1-CG 3.96Å; F420-Y726 HydrophobicContact CE1-CG 3.96Å; F420-Y726 AromaticContact CG-CD2 3.38Å; F420-Y726 HydrophobicContact CG-CD2 3.38Å; F420-Y726 AromaticContact CG-CE2 3.95Å; F420-Y726 HydrophobicContact CG-CE2 3.95Å; F420-Y726 HydrophobicContact CG-CG 4.2Å; A722-Y726 VanDerWaalsContact O-CB 3.31Å; A722-Y726 WeakPolarHBondContact O-CB 3.04Å; A722-Y726 PolarHBondContact O-N 3.29Å; Y723-Y726 PolarHBondContact O-N 3.14Å; Y724-Y726 VanDerWaalsContact C-N 3.32Å; Y724-Y726 PolarHBondContact O-N 3.41Å; Y726-M728 PolarHBondContact O-N 2.91Å; Y726-Y729 PolarHBondContact O-N 3.37Å; Y726-A730 VanDerWaalsContact O-CB 3.3Å; Y726-A730 WeakPolarHBondContact O-CB 3.47Å; Y726-A730 PolarHBondContact O-N 3.08Å; Y726-F768 HydrophobicContact CD2-CE2 4.19Å; Y726-F768 HydrophobicContact CD2-CZ 4.34Å
727	Y	97.6	Very high	95.6	Very high	2 Å²	2	9.1 Å²	9.1	1%	0.008	4%	0.043	C	C	.	.	H	α-helix	trans	-69.5	-34.7	-179.4	-79.5	-69.7	0	0	0	112.5	K393 G394 F655 T709 A710 Y723 Y724 N731	K393-Y727 VanDerWaalsContact O-CE1 3.22Å; K393-Y727 WeakPolarHBondContact O-CE1 3.14Å; K393-Y727 PolarHBondContact O-OH 2.88Å; G394-Y727 WeakPolarHBondContact O-CD1 3.26Å; F655-Y727 HydrophobicContact CD1-CD2 4.35Å; F655-Y727 AromaticContact CE1-CD2 3.91Å; F655-Y727 HydrophobicContact CE1-CD2 3.91Å; F655-Y727 HydrophobicContact CE1-CG 4.28Å; T709-Y727 WeakPolarHBondContact CA-OH 3.49Å; A710-Y727 HydrophobicContact CB-CD1 4.33Å; A710-Y727 HydrophobicContact CB-CD2 4.46Å; A710-Y727 HydrophobicContact CB-CE1 3.86Å; A710-Y727 HydrophobicContact CB-CE2 4.03Å; A710-Y727 PolarHBondContact N-OH 3.08Å; A710-Y727 VanDerWaalsContact N-OH 3.09Å; Y723-Y727 AromaticContact CD1-CD2 3.88Å; Y723-Y727 HydrophobicContact CD1-CD2 3.88Å; Y723-Y727 AromaticContact CD1-CE2 3.98Å; Y723-Y727 HydrophobicContact CD1-CE2 3.98Å; Y723-Y727 HydrophobicContact CD2-CE2 4.13Å; Y723-Y727 AromaticContact CE1-CD2 3.83Å; Y723-Y727 HydrophobicContact CE1-CD2 3.83Å; Y723-Y727 AromaticContact CE1-CE2 3.56Å; Y723-Y727 HydrophobicContact CE1-CE2 3.56Å; Y723-Y727 HydrophobicContact CE2-CD2 4.5Å; Y723-Y727 AromaticContact CE2-CE2 3.7Å; Y723-Y727 HydrophobicContact CE2-CE2 3.7Å; Y723-Y727 HydrophobicContact CG-CD2 4.29Å; Y723-Y727 HydrophobicContact CG-CE2 4.27Å; Y723-Y727 AromaticContact CZ-CE2 3.42Å; Y723-Y727 VanDerWaalsContact CZ-CE2 3.42Å; Y723-Y727 WeakPolarHBondContact O-CD2 3.09Å; Y723-Y727 PolarHBondContact O-N 3.34Å; Y723-Y727 VanDerWaalsContact O-N 3.1Å; Y724-Y727 PolarHBondContact O-N 2.98Å; Y727-N731 PolarHBondContact O-N 3.04Å; Y727-N731 PolarHBondContact O-ND2 3.34Å
728	M	97.7	Very high	96.1	Very high	1 Å²	1	6.3 Å²	6.3	1%	0.005	3%	0.03	C	C	.	.	H	α-helix	trans	-62.5	-50.1	171.6	-70.5	177.7	74	0	0	111.2	V639 F663 L689 Y724 L725 Y726 L732 L749	V639-M728 HydrophobicContact CB-CE 4.08Å; V639-M728 HydrophobicContact CB-SD 4.46Å; V639-M728 HydrophobicContact CG2-CE 4.01Å; F663-M728 HydrophobicContact CE2-CB 4.4Å; F663-M728 HydrophobicContact CE2-CG 4.18Å; F663-M728 HydrophobicContact CZ-CB 4.14Å; F663-M728 HydrophobicContact CZ-CG 4.27Å; F663-M728 WeakPolarHBondContact CZ-O 3.41Å; L689-M728 HydrophobicContact CB-CE 4.29Å; Y724-M728 WeakPolarHBondContact O-CB 3.36Å; Y724-M728 VanDerWaalsContact O-CG 3.29Å; Y724-M728 WeakPolarHBondContact O-CG 3.5Å; Y724-M728 PolarHBondContact O-N 3.12Å; L725-M728 HydrophobicContact CD2-SD 4.45Å; Y726-M728 PolarHBondContact O-N 2.91Å; M728-L732 WeakPolarHBondContact O-CB 3.41Å; M728-L732 PolarHBondContact O-N 3.01Å; M728-L749 HydrophobicContact CE-CD1 4.2Å
729	Y	98.1	Very high	96.4	Very high	0 Å²	0	4.5 Å²	4.5	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-63.7	-46.6	-179.4	171.1	-90.8	0	0	0	113	Y324 A328 M330 T415 L725 Y726 N731 L732 A733 L749 F768	Y324-Y729 WeakPolarHBondContact CA-OH 3.44Å; Y324-Y729 AromaticContact CD1-CE1 3.71Å; Y324-Y729 HydrophobicContact CD1-CE1 3.71Å; Y324-Y729 AromaticContact CD1-CZ 3.73Å; Y324-Y729 WeakPolarHBondContact CD1-OH 3.49Å; Y324-Y729 HydrophobicContact CE1-CE1 4.31Å; Y324-Y729 PolarHBondContact O-OH 3.19Å; A328-Y729 HydrophobicContact CB-CD2 4.42Å; A328-Y729 HydrophobicContact CB-CE2 3.58Å; M330-Y729 HydrophobicContact CE-CD2 4.24Å; M330-Y729 HydrophobicContact CE-CE2 4.03Å; T415-Y729 HydrophobicContact CG2-CE1 4.41Å; L725-Y729 WeakPolarHBondContact O-CB 3.35Å; L725-Y729 PolarHBondContact O-N 3.34Å; Y726-Y729 PolarHBondContact O-N 3.37Å; Y729-N731 VanDerWaalsContact C-N 3.34Å; Y729-N731 PolarHBondContact O-N 3.39Å; Y729-L732 PolarHBondContact O-N 3.14Å; Y729-A733 WeakPolarHBondContact O-CB 3.44Å; Y729-A733 PolarHBondContact O-N 2.91Å; Y729-L749 HydrophobicContact CD2-CD2 4.48Å; Y729-F768 AromaticContact CD1-CD1 3.71Å; Y729-F768 HydrophobicContact CD1-CD1 3.71Å; Y729-F768 AromaticContact CD1-CD2 3.97Å; Y729-F768 HydrophobicContact CD1-CD2 3.97Å; Y729-F768 AromaticContact CD1-CE1 3.8Å; Y729-F768 HydrophobicContact CD1-CE1 3.8Å; Y729-F768 HydrophobicContact CD1-CE2 4.04Å; Y729-F768 AromaticContact CD1-CG 3.83Å; Y729-F768 HydrophobicContact CD1-CG 3.83Å; Y729-F768 AromaticContact CD1-CZ 3.97Å; Y729-F768 HydrophobicContact CD1-CZ 3.97Å; Y729-F768 HydrophobicContact CD2-CB 3.55Å; Y729-F768 AromaticContact CD2-CD1 3.88Å; Y729-F768 HydrophobicContact CD2-CD1 3.88Å; Y729-F768 HydrophobicContact CD2-CD2 4.41Å; Y729-F768 AromaticContact CD2-CG 3.7Å; Y729-F768 HydrophobicContact CD2-CG 3.7Å; Y729-F768 WeakPolarHBondContact CD2-O 3.22Å; Y729-F768 AromaticContact CE1-CD1 3.95Å; Y729-F768 HydrophobicContact CE1-CD1 3.95Å; Y729-F768 AromaticContact CE1-CE1 3.95Å; Y729-F768 HydrophobicContact CE1-CE1 3.95Å; Y729-F768 HydrophobicContact CE1-CG 4.49Å; Y729-F768 HydrophobicContact CE1-CZ 4.45Å; Y729-F768 HydrophobicContact CE2-CB 4.34Å; Y729-F768 HydrophobicContact CE2-CD1 4.07Å; Y729-F768 HydrophobicContact CE2-CG 4.35Å; Y729-F768 HydrophobicContact CG-CB 3.73Å; Y729-F768 AromaticContact CG-CD1 3.72Å; Y729-F768 HydrophobicContact CG-CD1 3.72Å; Y729-F768 AromaticContact CG-CD2 3.71Å; Y729-F768 HydrophobicContact CG-CD2 3.71Å; Y729-F768 HydrophobicContact CG-CE1 4.27Å; Y729-F768 HydrophobicContact CG-CE2 4.25Å; Y729-F768 AromaticContact CG-CG 3.44Å; Y729-F768 HydrophobicContact CG-CG 3.44Å; Y729-F768 VanDerWaalsContact CG-CG 3.44Å
730	A	97.1	Very high	96.5	Very high	1 Å²	1	7.1 Å²	7.1	1%	0.008	4%	0.038	C	C	.	.	H	α-helix	trans	-63.5	-39.3	-176.3	0	0	0	0	0	112.3	Y726 T734	Y726-A730 VanDerWaalsContact O-CB 3.3Å; Y726-A730 WeakPolarHBondContact O-CB 3.47Å; Y726-A730 PolarHBondContact O-N 3.08Å; A730-T734 PolarHBondContact O-OG1 3.39Å; A730-T734 VanDerWaalsContact O-OG1 3.08Å
731	N	97.7	Very high	96.5	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-72.2	-43.6	172.9	-73.5	-66.3	0	0	0	111.8	G394 I395 V396 F663 Y727 Y729 A733 T734 L735	G394-N731 PolarHBondContact O-ND2 3.4Å; I395-N731 WeakPolarHBondContact CA-OD1 3.23Å; V396-N731 WeakPolarHBondContact CG2-OD1 3.01Å; V396-N731 PolarHBondContact N-OD1 2.89Å; F663-N731 HydrophobicContact CB-CB 4.14Å; F663-N731 HydrophobicContact CD1-CB 3.48Å; F663-N731 VanDerWaalsContact CD1-CB 3.48Å; F663-N731 HydrophobicContact CD2-CB 3.8Å; F663-N731 HydrophobicContact CE1-CB 3.75Å; F663-N731 HydrophobicContact CE2-CB 4.06Å; F663-N731 HydrophobicContact CG-CB 3.51Å; F663-N731 HydrophobicContact CZ-CB 4.04Å; Y727-N731 PolarHBondContact O-N 3.04Å; Y727-N731 PolarHBondContact O-ND2 3.34Å; Y729-N731 VanDerWaalsContact C-N 3.34Å; Y729-N731 PolarHBondContact O-N 3.39Å; N731-A733 VanDerWaalsContact C-N 3.34Å; N731-A733 PolarHBondContact O-N 3.37Å; N731-T734 PolarHBondContact O-N 3.41Å; N731-L735 VanDerWaalsContact O-CB 3.25Å; N731-L735 WeakPolarHBondContact O-CB 3.48Å; N731-L735 PolarHBondContact O-N 3.4Å
732	L	97.2	Very high	96.5	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-59.9	-40.9	179.3	-169.2	66.5	0	0	0	112.6	F663 L689 M728 Y729 T734 L735 N736 F747 L749	F663-L732 HydrophobicContact CE1-CB 4.47Å; L689-L732 HydrophobicContact CD1-CD1 3.79Å; L689-L732 HydrophobicContact CG-CD1 4.37Å; M728-L732 WeakPolarHBondContact O-CB 3.41Å; M728-L732 PolarHBondContact O-N 3.01Å; Y729-L732 PolarHBondContact O-N 3.14Å; L732-T734 PolarHBondContact O-N 3.24Å; L732-L735 HydrophobicContact CD1-CD2 4.49Å; L732-L735 PolarHBondContact O-N 2.83Å; L732-N736 VanDerWaalsContact O-CB 3.3Å; L732-N736 WeakPolarHBondContact O-CB 3.31Å; L732-N736 PolarHBondContact O-N 2.86Å; L732-F747 HydrophobicContact CD1-CB 3.89Å; L732-F747 HydrophobicContact CD1-CD2 4.26Å; L732-L749 HydrophobicContact CD2-CB 3.69Å
733	A	96.3	Very high	96.4	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-61.9	-45.9	178.9	0	0	0	0	0	112	A328 Y729 N731 R737	A328-A733 HydrophobicContact CB-CB 3.8Å; Y729-A733 WeakPolarHBondContact O-CB 3.44Å; Y729-A733 PolarHBondContact O-N 2.91Å; N731-A733 VanDerWaalsContact C-N 3.34Å; N731-A733 PolarHBondContact O-N 3.37Å; A733-R737 PolarHBondContact O-N 2.98Å
734	T	96.1	Very high	96.4	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-66.4	-41.8	176.8	-51.2	0	0	0	0	111.1	L410 F414 F667 A730 N731 L732 F738	L410-T734 HydrophobicContact CB-CG2 4.08Å; L410-T734 HydrophobicContact CD2-CG2 4.48Å; F414-T734 HydrophobicContact CD1-CG2 4.33Å; F414-T734 HydrophobicContact CE1-CG2 3.86Å; F667-T734 HydrophobicContact CE1-CG2 4.03Å; F667-T734 HydrophobicContact CZ-CG2 4.09Å; A730-T734 PolarHBondContact O-OG1 3.39Å; A730-T734 VanDerWaalsContact O-OG1 3.08Å; N731-T734 PolarHBondContact O-N 3.41Å; L732-T734 PolarHBondContact O-N 3.24Å; T734-F738 PolarHBondContact O-N 2.93Å; T734-F738 VanDerWaalsContact O-N 3.09Å
735	L	97.5	Very high	96.2	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-63.3	-48.2	177.6	179	62.9	0	0	0	111.7	F663 L666 F667 N731 L732 R737 F738 R739 F747	F663-L735 HydrophobicContact CD1-CD2 4.49Å; L666-L735 HydrophobicContact CB-CD1 4.09Å; L666-L735 HydrophobicContact CB-CD2 3.72Å; L666-L735 HydrophobicContact CD1-CD2 3.75Å; L666-L735 HydrophobicContact CG-CD2 4.38Å; F667-L735 HydrophobicContact CD1-CD1 4.22Å; F667-L735 HydrophobicContact CD2-CD1 4.04Å; F667-L735 HydrophobicContact CE1-CB 4.2Å; F667-L735 HydrophobicContact CE1-CD1 4.31Å; F667-L735 HydrophobicContact CE2-CB 3.8Å; F667-L735 HydrophobicContact CE2-CD1 4.13Å; F667-L735 HydrophobicContact CE2-CG 4.43Å; F667-L735 HydrophobicContact CG-CD1 4.1Å; F667-L735 HydrophobicContact CZ-CB 3.61Å; F667-L735 HydrophobicContact CZ-CD1 4.28Å; N731-L735 VanDerWaalsContact O-CB 3.25Å; N731-L735 WeakPolarHBondContact O-CB 3.48Å; N731-L735 PolarHBondContact O-N 3.4Å; L732-L735 HydrophobicContact CD1-CD2 4.49Å; L732-L735 PolarHBondContact O-N 2.83Å; L735-R737 VanDerWaalsContact C-N 3.32Å; L735-R737 PolarHBondContact O-N 3.18Å; L735-F738 PolarHBondContact O-N 3.39Å; L735-F738 VanDerWaalsContact O-N 3.11Å; L735-R739 HydrophobicContact CD1-CG 4.03Å; L735-R739 HydrophobicContact CG-CG 4.28Å; L735-R739 WeakPolarHBondContact O-CB 3.22Å; L735-R739 VanDerWaalsContact O-CG 3.31Å; L735-R739 WeakPolarHBondContact O-CG 3.38Å; L735-R739 PolarHBondContact O-N 3.09Å; L735-F747 HydrophobicContact CD2-CD2 4.17Å; L735-F747 HydrophobicContact CD2-CE2 4.17Å
736	N	97.1	Very high	96.2	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-59.1	-43	-179.9	-82.1	-10.4	0	0	0	111.4	A328 L732 R739 S740 T746 F747	A328-N736 WeakPolarHBondContact O-CB 3.15Å; A328-N736 PolarHBondContact O-ND2 3.26Å; L732-N736 VanDerWaalsContact O-CB 3.3Å; L732-N736 WeakPolarHBondContact O-CB 3.31Å; L732-N736 PolarHBondContact O-N 2.86Å; N736-R739 PolarHBondContact O-N 2.69Å; N736-S740 VanDerWaalsContact O-CB 3.27Å; N736-S740 WeakPolarHBondContact O-CB 3.46Å; N736-S740 PolarHBondContact O-N 3.15Å; N736-T746 HydrophobicContact CB-CG2 3.88Å; N736-T746 WeakPolarHBondContact O-CG2 3.42Å; N736-T746 WeakPolarHBondContact OD1-CB 3.37Å; N736-F747 PolarHBondContact ND2-O 3.28Å; N736-F747 PolarHBondContact OD1-N 2.78Å
737	R	95.5	Very high	96.2	Very high	63 Å²	63	22.9 Å²	22.9	24%	0.238	13%	0.134	C	C	.	.	H	α-helix	trans	-63.9	-43.6	174.5	-177.3	62.7	171.3	-177.6	-4.6	111.9	L410 L413 A733 L735 R739 S740 M741 Y953	L410-R737 HydrophobicContact CD2-CB 3.7Å; L410-R737 HydrophobicContact CD2-CG 3.55Å; L413-R737 HydrophobicContact CD1-CB 3.26Å; L413-R737 HydrophobicContact CD1-CG 3.46Å; L413-R737 VanDerWaalsContact CD1-CG 3.46Å; A733-R737 PolarHBondContact O-N 2.98Å; L735-R737 VanDerWaalsContact C-N 3.32Å; L735-R737 PolarHBondContact O-N 3.18Å; R737-R739 PolarHBondContact O-N 3.2Å; R737-S740 PolarHBondContact O-N 3.22Å; R737-M741 HydrophobicContact CG-CG 4.43Å; R737-M741 HydrophobicContact CG-SD 4.07Å; R737-M741 VanDerWaalsContact O-CG 3.26Å; R737-M741 WeakPolarHBondContact O-CG 3.33Å; R737-M741 PolarHBondContact O-N 3.4Å; R737-Y953 PolarHBondContact NH2-OH 2.91Å
738	F	96.9	Very high	96.1	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.009	14%	0.136	C	C	.	.	H	α-helix	trans	-64.4	-40.2	179.4	-175.1	-144.8	0	0	0	112.3	F387 V398 L410 F667 T670 N671 T734 L735 M741 R742	F387-F738 AromaticContact CD2-CE2 3.77Å; F387-F738 HydrophobicContact CD2-CE2 3.77Å; F387-F738 AromaticContact CD2-CZ 4Å; F387-F738 HydrophobicContact CD2-CZ 4Å; F387-F738 HydrophobicContact CE2-CE2 4.04Å; V398-F738 HydrophobicContact CG1-CE1 4.42Å; V398-F738 HydrophobicContact CG1-CE2 4.32Å; V398-F738 HydrophobicContact CG1-CZ 4.13Å; V398-F738 HydrophobicContact CG2-CD1 3.99Å; V398-F738 HydrophobicContact CG2-CE1 4.05Å; V398-F738 HydrophobicContact CG2-CG 4.43Å; L410-F738 HydrophobicContact CD1-CB 4Å; L410-F738 HydrophobicContact CD1-CD2 4.19Å; L410-F738 HydrophobicContact CD1-CG 4.18Å; L410-F738 HydrophobicContact CD2-CB 4.12Å; F667-F738 AromaticContact CD1-CD1 3.87Å; F667-F738 HydrophobicContact CD1-CD1 3.87Å; F667-F738 HydrophobicContact CD1-CE1 4.44Å; F667-F738 HydrophobicContact CE1-CD1 4.4Å; T670-F738 HydrophobicContact CG2-CB 4.4Å; T670-F738 HydrophobicContact CG2-CD1 3.41Å; T670-F738 VanDerWaalsContact CG2-CD1 3.41Å; T670-F738 HydrophobicContact CG2-CD2 4.43Å; T670-F738 HydrophobicContact CG2-CE1 3.7Å; T670-F738 HydrophobicContact CG2-CG 3.83Å; T670-F738 HydrophobicContact CG2-CZ 4.32Å; N671-F738 HydrophobicContact CB-CE1 3.89Å; N671-F738 HydrophobicContact CB-CZ 3.77Å; T734-F738 PolarHBondContact O-N 2.93Å; T734-F738 VanDerWaalsContact O-N 3.09Å; L735-F738 PolarHBondContact O-N 3.39Å; L735-F738 VanDerWaalsContact O-N 3.11Å; F738-M741 PolarHBondContact O-N 2.84Å; F738-R742 HydrophobicContact CD2-CG 4.46Å; F738-R742 HydrophobicContact CE2-CG 4.3Å; F738-R742 WeakPolarHBondContact O-CG 3.38Å; F738-R742 PolarHBondContact O-N 3.49Å
739	R	96.8	Very high	96.1	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.008	14%	0.136	C	C	.	.	H	α-helix	trans	-63.1	-46.7	173.1	-70.7	-178	70.1	76.7	-0.2	111.6	T670 L735 N736 R737 M741 R742 G743 F744 N745	T670-R739 HydrophobicContact CG2-CB 4.3Å; T670-R739 HydrophobicContact CG2-CG 3.53Å; T670-R739 WeakPolarHBondContact OG1-CG 3.27Å; T670-R739 PolarHBondContact OG1-NH1 3.35Å; L735-R739 HydrophobicContact CD1-CG 4.03Å; L735-R739 HydrophobicContact CG-CG 4.28Å; L735-R739 WeakPolarHBondContact O-CB 3.22Å; L735-R739 VanDerWaalsContact O-CG 3.31Å; L735-R739 WeakPolarHBondContact O-CG 3.38Å; L735-R739 PolarHBondContact O-N 3.09Å; N736-R739 PolarHBondContact O-N 2.69Å; R737-R739 PolarHBondContact O-N 3.2Å; R739-M741 PolarHBondContact O-N 3.23Å; R739-R742 CarbonylContact O-C 3.59Å; R739-R742 WeakPolarHBondContact O-CA 3.46Å; R739-R742 WeakPolarHBondContact O-CB 3.42Å; R739-R742 PolarHBondContact O-N 2.78Å; R739-G743 PolarHBondContact O-N 2.91Å; R739-G743 VanDerWaalsContact O-N 3.12Å; R739-F744 CarbonylContact C-O 3.57Å; R739-F744 HydrophobicContact CB-CB 4.13Å; R739-F744 PolarHBondContact O-N 3.47Å; R739-N745 PolarHBondContact NE-O 3.19Å; R739-N745 PolarHBondContact NH2-O 2.91Å; R739-N745 PolarHBondContact NH2-OD1 3Å
740	S	94.5	Very high	96.1	Very high	59 Å²	59	23.5 Å²	23.5	41%	0.413	14%	0.137	S	C	.	.	H	α-helix	trans	-59.1	-43.1	174.8	175.8	0	0	0	0	112.5	N736 R737 R742 G743	N736-S740 VanDerWaalsContact O-CB 3.27Å; N736-S740 WeakPolarHBondContact O-CB 3.46Å; N736-S740 PolarHBondContact O-N 3.15Å; R737-S740 PolarHBondContact O-N 3.22Å; S740-R742 PolarHBondContact O-N 2.86Å; S740-G743 PolarHBondContact O-N 3.49Å
741	M	94.2	Very high	96.2	Very high	82 Å²	82	23.4 Å²	23.4	40%	0.404	14%	0.137	S	C	.	.	H	α-helix	trans	-61.9	-24.7	174.2	-71.8	171.7	68.9	0	0	113.4	L407 D409 L410 R737 F738 R739	L407-M741 HydrophobicContact CD2-CE 3.93Å; D409-M741 HydrophobicContact CB-CE 4.48Å; D409-M741 HydrophobicContact CB-SD 4.42Å; L410-M741 HydrophobicContact CD2-SD 4.13Å; R737-M741 HydrophobicContact CG-CG 4.43Å; R737-M741 HydrophobicContact CG-SD 4.07Å; R737-M741 VanDerWaalsContact O-CG 3.26Å; R737-M741 WeakPolarHBondContact O-CG 3.33Å; R737-M741 PolarHBondContact O-N 3.4Å; F738-M741 PolarHBondContact O-N 2.84Å; R739-M741 PolarHBondContact O-N 3.23Å
742	R	94.7	Very high	96.2	Very high	60 Å²	60	24.2 Å²	24.2	23%	0.226	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-3.1	175.5	-68.1	-80.2	-79.3	162	-0.3	113.4	G383 T670 N671 F738 R739 S740 F744	G383-R742 PolarHBondContact O-NH1 3.34Å; G383-R742 PolarHBondContact O-NH2 3.23Å; T670-R742 HydrophobicContact CG2-CG 4.23Å; T670-R742 PolarHBondContact O-NE 3.05Å; N671-R742 PolarHBondContact O-NH2 3.32Å; N671-R742 VanDerWaalsContact O-NH2 3.15Å; F738-R742 HydrophobicContact CD2-CG 4.46Å; F738-R742 HydrophobicContact CE2-CG 4.3Å; F738-R742 WeakPolarHBondContact O-CG 3.38Å; F738-R742 PolarHBondContact O-N 3.49Å; R739-R742 CarbonylContact O-C 3.59Å; R739-R742 WeakPolarHBondContact O-CA 3.46Å; R739-R742 WeakPolarHBondContact O-CB 3.42Å; R739-R742 PolarHBondContact O-N 2.78Å; S740-R742 PolarHBondContact O-N 2.86Å; R742-F744 VanDerWaalsContact C-N 3.34Å; R742-F744 HydrophobicContact CB-CD1 4.21Å; R742-F744 HydrophobicContact CB-CD2 3.8Å; R742-F744 HydrophobicContact CB-CE1 4.13Å; R742-F744 HydrophobicContact CB-CE2 3.74Å; R742-F744 HydrophobicContact CB-CG 4.03Å; R742-F744 HydrophobicContact CB-CZ 3.9Å; R742-F744 HydrophobicContact CG-CE2 4.35Å; R742-F744 WeakPolarHBondContact O-CD1 3.3Å; R742-F744 WeakPolarHBondContact O-CE1 3.44Å
743	G	93.7	Very high	96.2	Very high	72 Å²	72	24.2 Å²	24.2	74%	0.742	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.2	20.8	-174.1	0	0	0	0	0	114.1	R739 S740	R739-G743 PolarHBondContact O-N 2.91Å; R739-G743 VanDerWaalsContact O-N 3.12Å; S740-G743 PolarHBondContact O-N 3.49Å
744	F	95.1	Very high	96.2	Very high	29 Å²	29	24.2 Å²	24.2	13%	0.127	14%	0.14	C	C	.	.	P	Polyproline II helix	trans	-97.2	154.8	179.1	-54.6	-17.3	0	0	0	111.1	P382 T670 P673 H680 R739 R742	P382-F744 HydrophobicContact CB-CZ 4.33Å; P382-F744 HydrophobicContact CG-CE1 3.9Å; P382-F744 HydrophobicContact CG-CZ 4.04Å; T670-F744 HydrophobicContact CG2-CD2 4.19Å; T670-F744 HydrophobicContact CG2-CE2 4.47Å; P673-F744 HydrophobicContact CG-CE2 4.02Å; P673-F744 HydrophobicContact CG-CZ 3.83Å; H680-F744 AromaticContact CE1-CE1 3.73Å; H680-F744 AromaticContact CE1-CE2 3.82Å; H680-F744 AromaticContact CE1-CZ 3.61Å; R739-F744 CarbonylContact C-O 3.57Å; R739-F744 HydrophobicContact CB-CB 4.13Å; R739-F744 PolarHBondContact O-N 3.47Å; R742-F744 VanDerWaalsContact C-N 3.34Å; R742-F744 HydrophobicContact CB-CD1 4.21Å; R742-F744 HydrophobicContact CB-CD2 3.8Å; R742-F744 HydrophobicContact CB-CE1 4.13Å; R742-F744 HydrophobicContact CB-CE2 3.74Å; R742-F744 HydrophobicContact CB-CG 4.03Å; R742-F744 HydrophobicContact CB-CZ 3.9Å; R742-F744 HydrophobicContact CG-CE2 4.35Å; R742-F744 WeakPolarHBondContact O-CD1 3.3Å; R742-F744 WeakPolarHBondContact O-CE1 3.44Å
745	N	92.9	Very high	96	Very high	50 Å²	50	25 Å²	25	27%	0.267	14%	0.144	S	C	.	.	P	Polyproline II helix	trans	-59.8	145	175.4	66.4	-52.2	0	0	0	112.1	L683 V686 R739	L683-N745 PolarHBondContact O-ND2 2.8Å; L683-N745 PolarHBondContact O-OD1 3.38Å; V686-N745 PolarHBondContact O-ND2 2.68Å; R739-N745 PolarHBondContact NE-O 3.19Å; R739-N745 PolarHBondContact NH2-O 2.91Å; R739-N745 PolarHBondContact NH2-OD1 3Å
746	T	95.4	Very high	95.7	Very high	55 Å²	55	25.6 Å²	25.6	34%	0.337	15%	0.149	S	C	.	.	P	Polyproline II helix	trans	-96.6	172.5	175.2	53.5	0	0	0	0	111.5	N736	N736-T746 HydrophobicContact CB-CG2 3.88Å; N736-T746 WeakPolarHBondContact O-CG2 3.42Å; N736-T746 WeakPolarHBondContact OD1-CB 3.37Å
747	F	97.2	Very high	95.3	Very high	3 Å²	3	27.5 Å²	27.5	1%	0.013	17%	0.168	C	C	.	.			trans	-124.9	132.4	-177.9	-50.8	-50.6	0	0	0	111.2	L683 V686 L732 L735 N736	L683-F747 HydrophobicContact CB-CZ 4.25Å; L683-F747 HydrophobicContact CD1-CZ 4.34Å; L683-F747 HydrophobicContact CD2-CE1 4.47Å; L683-F747 HydrophobicContact CD2-CZ 3.84Å; L683-F747 HydrophobicContact CG-CZ 4.36Å; V686-F747 HydrophobicContact CB-CD1 4.49Å; V686-F747 HydrophobicContact CB-CE1 3.99Å; V686-F747 HydrophobicContact CG1-CD1 4.06Å; V686-F747 HydrophobicContact CG1-CE1 3.94Å; V686-F747 WeakPolarHBondContact O-CE1 3.42Å; L732-F747 HydrophobicContact CD1-CB 3.89Å; L732-F747 HydrophobicContact CD1-CD2 4.26Å; L735-F747 HydrophobicContact CD2-CD2 4.17Å; L735-F747 HydrophobicContact CD2-CE2 4.17Å; N736-F747 PolarHBondContact ND2-O 3.28Å; N736-F747 PolarHBondContact OD1-N 2.78Å
748	S	96.8	Very high	95.1	Very high	8 Å²	8	26.2 Å²	26.2	6%	0.056	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	142.5	171.5	62.3	0	0	0	0	111.5	V687 G688 L689 R750 E770	V687-S748 PolarHBondContact O-N 2.8Å; V687-S748 PolarHBondContact O-OG 3.35Å; V687-S748 VanDerWaalsContact O-OG 3.1Å; G688-S748 CarbonylContact C-O 3.35Å; G688-S748 WeakPolarHBondContact CA-O 3.3Å; L689-S748 PolarHBondContact N-O 2.92Å; S748-R750 PolarHBondContact OG-NE 3.23Å; S748-E770 WeakPolarHBondContact CB-OE1 3.33Å
749	L	98.3	Very high	94.9	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	118.4	165	-171.7	56	0	0	0	109.5	M330 L689 L725 M728 Y729 L732 F768 S769 E770	M330-L749 HydrophobicContact CE-CB 4.46Å; M330-L749 HydrophobicContact SD-CB 4.02Å; M330-L749 PolarHBondContact SD-N 3.34Å; L689-L749 HydrophobicContact CB-CD1 4.34Å; L725-L749 HydrophobicContact CD2-CD1 4.42Å; L725-L749 HydrophobicContact CD2-CD2 4.33Å; M728-L749 HydrophobicContact CE-CD1 4.2Å; Y729-L749 HydrophobicContact CD2-CD2 4.48Å; L732-L749 HydrophobicContact CD2-CB 3.69Å; L749-F768 HydrophobicContact CD2-CB 4.27Å; L749-S769 WeakPolarHBondContact O-CA 3.47Å; L749-E770 PolarHBondContact O-N 3.26Å
750	R	98.1	Very high	94.8	Very high	7 Å²	7	29.7 Å²	29.7	3%	0.026	19%	0.194	C	C	.	.			trans	-138.2	75	-174.9	-65.7	-166	-85.4	155.3	-9.3	111.2	E603 L636 L689 D690 S748 S771	E603-R750 IonicContact OE1-CZ 3.86Å; E603-R750 IonicContact OE1-NH1 3.8Å; E603-R750 PolarHBondContact OE1-NH1 3.48Å; E603-R750 IonicContact OE1-NH2 3.35Å; E603-R750 PolarHBondContact OE1-NH2 3.1Å; E603-R750 IonicContact OE2-CZ 3.69Å; E603-R750 IonicContact OE2-NH1 2.71Å; E603-R750 PolarHBondContact OE2-NH1 3.38Å; E603-R750 IonicContact OE2-NH2 3.44Å; L636-R750 HydrophobicContact CD2-CB 4.14Å; L689-R750 PolarHBondContact O-N 3.1Å; D690-R750 VanDerWaalsContact OD2-O 3.06Å; S748-R750 PolarHBondContact OG-NE 3.23Å; R750-S771 WeakPolarHBondContact CA-O 3.28Å; R750-S771 WeakPolarHBondContact CD-OG 3.5Å; R750-S771 VanDerWaalsContact CG-OG 3.24Å; R750-S771 WeakPolarHBondContact CG-OG 3.43Å
751	P	98.2	Very high	94.8	Very high	0 Å²	0	27 Å²	27	0%	0	18%	0.175	C	C	.	.			trans	-83.2	154.9	-172.8	34	-33.8	0	0	0	113.5	D690 L725 C753 S769 A773	D690-P751 VanDerWaalsContact OD1-CA 3.23Å; D690-P751 WeakPolarHBondContact OD1-CA 3.47Å; L725-P751 HydrophobicContact CD1-CG 4.11Å; L725-P751 HydrophobicContact CD2-CB 3.94Å; L725-P751 HydrophobicContact CD2-CG 4.11Å; P751-C753 HydrophobicContact CG-CB 4.37Å; P751-C753 PolarHBondContact O-N 3.19Å; P751-S769 WeakPolarHBondContact CD-OG 3.19Å; P751-S769 VanDerWaalsContact CG-OG 3.27Å; P751-S769 WeakPolarHBondContact CG-OG 3.11Å; P751-A773 PolarHBondContact O-N 2.91Å
752	H	97.6	Very high	95	Very high	17 Å²	17	23.1 Å²	23.1	8%	0.079	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	119.9	154.9	-67.2	45	0	0	0	108.5	H483 H485 D690 S691 V692 Y721 H774	H483-H752 AromaticContact CD2-CE1 3.94Å; H483-H752 AromaticContact CE1-CE1 3.82Å; H483-H752 AromaticContact CE1-NE2 3.63Å; H483-H752 AromaticContact NE2-CD2 3.7Å; H483-H752 AromaticContact NE2-CE1 3.02Å; H483-H752 PolarHBondContact NE2-CE1 3.36Å; H483-H752 AromaticContact NE2-CG 3.85Å; H483-H752 AromaticContact NE2-ND1 3.44Å; H483-H752 PolarHBondContact NE2-ND1 2.7Å; H483-H752 AromaticContact NE2-NE2 3.23Å; H483-H752 PolarHBondContact NE2-NE2 3.32Å; H485-H752 AromaticContact NE2-CD2 3.91Å; H485-H752 AromaticContact NE2-CE1 2.8Å; H485-H752 PolarHBondContact NE2-CE1 2.79Å; H485-H752 AromaticContact NE2-ND1 3.98Å; H485-H752 AromaticContact NE2-NE2 2.67Å; H485-H752 PolarHBondContact NE2-NE2 3.43Å; D690-H752 VanDerWaalsContact CG-ND1 3.32Å; D690-H752 IonicContact OD1-CE1 3.6Å; D690-H752 IonicContact OD1-CG 2.69Å; D690-H752 PolarHBondContact OD1-N 2.91Å; D690-H752 IonicContact OD1-ND1 2.86Å; D690-H752 PolarHBondContact OD1-ND1 3.39Å; D690-H752 IonicContact OD2-CE1 3.9Å; D690-H752 PolarHBondContact OD2-CE1 3.31Å; D690-H752 IonicContact OD2-ND1 3.27Å; D690-H752 PolarHBondContact OD2-ND1 3.5Å; S691-H752 PolarHBondContact O-N 3.43Å; V692-H752 VanDerWaalsContact CG1-CE1 3.42Å; V692-H752 WeakPolarHBondContact CG1-CE1 3.2Å; V692-H752 WeakPolarHBondContact CG1-ND1 3.33Å; Y721-H752 WeakPolarHBondContact CE2-O 3.49Å; Y721-H752 PolarHBondContact OH-O 3.05Å; H752-H774 AromaticContact CD2-NE2 3.33Å; H752-H774 PolarHBondContact CD2-NE2 2.94Å; H752-H774 VanDerWaalsContact CD2-NE2 3.33Å; H752-H774 AromaticContact CG-NE2 3.88Å
753	C	97.1	Very high	95.1	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	113.6	-171.8	-167.4	0	0	0	0	113.8	E695 Y721 P751 H761 I772 A773 G775	E695-C753 WeakPolarHBondContact OE1-CA 3.42Å; E695-C753 PolarHBondContact OE1-N 2.68Å; Y721-C753 WeakPolarHBondContact OH-CB 3.49Å; Y721-C753 PolarHBondContact OH-SG 3.19Å; P751-C753 HydrophobicContact CG-CB 4.37Å; P751-C753 PolarHBondContact O-N 3.19Å; C753-H761 PolarHBondContact SG-O 2.95Å; C753-I772 HydrophobicContact CB-CB 3.89Å; C753-I772 HydrophobicContact CB-CD1 4.49Å; C753-I772 HydrophobicContact CB-CG2 3.77Å; C753-A773 PolarHBondContact N-O 3.23Å; C753-A773 VanDerWaalsContact O-O 3.06Å; C753-G775 WeakPolarHBondContact O-CA 3.44Å; C753-G775 PolarHBondContact O-N 3.41Å
754	G	95.6	Very high	95.3	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	11%	0.11	C	C	.	.	S	Bend	trans	74.6	31.1	171.8	0	0	0	0	0	112.9	E695 G775 L776 L777	E695-G754 PolarHBondContact OE1-N 2.86Å; E695-G754 VanDerWaalsContact OE2-CA 3.3Å; E695-G754 WeakPolarHBondContact OE2-CA 3.42Å; E695-G754 PolarHBondContact OE2-N 3.41Å; G754-G775 CarbonylContact O-C 3.55Å; G754-L776 PolarHBondContact O-N 3.27Å; G754-L777 PolarHBondContact O-N 2.92Å
755	E	93.9	Very high	95.4	Very high	15 Å²	15	15.4 Å²	15.4	7%	0.07	10%	0.104	C	C	.	.	S	Bend	trans	-66.6	-47.3	158.8	-164.2	-179.2	-158.3	0	0	110	E695 H774 L776 N802 F806	E695-E755 PolarHBondContact OE2-N 3.16Å; E755-H774 HydrophobicContact CB-CB 3.6Å; E755-H774 HydrophobicContact CG-CB 3.74Å; E755-H774 IonicContact OE1-CE1 2.76Å; E755-H774 IonicContact OE1-CG 3.43Å; E755-H774 IonicContact OE1-ND1 3.7Å; E755-H774 PolarHBondContact OE1-ND1 3.06Å; E755-H774 IonicContact OE2-CE1 2.7Å; E755-H774 IonicContact OE2-ND1 3.68Å; E755-H774 IonicContact OE2-NE2 2.76Å; E755-L776 HydrophobicContact CG-CD1 3.86Å; E755-L776 HydrophobicContact CG-CG 4.43Å; E755-N802 PolarHBondContact OE1-ND2 3.47Å; E755-F806 HydrophobicContact CG-CD2 3.64Å; E755-F806 HydrophobicContact CG-CE2 3.79Å; E755-F806 HydrophobicContact CG-CG 4.49Å; E755-F806 VanDerWaalsContact OE1-CD2 3.31Å; E755-F806 WeakPolarHBondContact OE1-CD2 3.45Å; E755-F806 WeakPolarHBondContact OE1-CE2 3.39Å; E755-F806 WeakPolarHBondContact OE2-CE2 3.17Å
756	A	90.3	Very high	95.6	Very high	13 Å²	13	13 Å²	13	11%	0.107	9%	0.091	C	C	.	.	S	Bend	trans	-136.1	-154.2	177.9	0	0	0	0	0	109.8	E695 L777 F806	E695-A756 HydrophobicContact CB-CB 4.12Å; E695-A756 PolarHBondContact OE2-N 2.98Å; A756-L777 WeakPolarHBondContact O-CD1 3.2Å; A756-F806 HydrophobicContact CB-CD1 4.11Å; A756-F806 HydrophobicContact CB-CE1 3.65Å; A756-F806 HydrophobicContact CB-CZ 3.98Å
757	G	89.1	Confident	95.8	Very high	40 Å²	40	10.4 Å²	10.4	41%	0.412	8%	0.075	S	C	.	.	S	Bend	trans	68.3	-146.9	172.6	0	0	0	0	0	116.2	E695	E695-G757 WeakPolarHBondContact O-CA 2.91Å; E695-G757 PolarHBondContact O-N 3Å
758	A	91.5	Very high	95.8	Very high	36 Å²	36	10.3 Å²	10.3	30%	0.298	7%	0.074	S	C	.	.			trans	-98.3	144.7	-170.8	0	0	0	0	0	111.6	S760 H761	A758-S760 VanDerWaalsContact CB-OG 3.25Å; A758-S760 WeakPolarHBondContact CB-OG 3.38Å; A758-S760 PolarHBondContact O-N 3.11Å; A758-S760 VanDerWaalsContact O-N 3.12Å; A758-H761 PolarHBondContact N-CE1 3.03Å; A758-H761 PolarHBondContact N-ND1 2.83Å; A758-H761 VanDerWaalsContact O-CB 3.25Å; A758-H761 WeakPolarHBondContact O-CB 3.46Å; A758-H761 PolarHBondContact O-N 3.17Å
759	V	92.7	Very high	95.8	Very high	48 Å²	48	9.9 Å²	9.9	29%	0.291	7%	0.071	S	C	.	.	H	α-helix	trans	-59.9	-25.8	177.4	165.2	0	0	0	0	112.7	I431 H761 L762 V781 L784	I431-V759 HydrophobicContact CD1-CG1 3.59Å; V759-H761 PolarHBondContact O-N 3.28Å; V759-L762 PolarHBondContact O-N 3.27Å; V759-V781 HydrophobicContact CB-CG2 4.21Å; V759-V781 HydrophobicContact CG1-CB 4.37Å; V759-V781 HydrophobicContact CG1-CG1 3.96Å; V759-V781 HydrophobicContact CG1-CG2 3.51Å; V759-V781 HydrophobicContact CG2-CG2 3.6Å; V759-L784 HydrophobicContact CG1-CD1 4.29Å
760	S	93.6	Very high	95.8	Very high	29 Å²	29	11.4 Å²	11.4	20%	0.203	8%	0.079	C	C	.	.	H	α-helix	trans	-56.3	-28.9	172.4	43.6	0	0	0	0	113.4	A758 L762 V763 I764	A758-S760 VanDerWaalsContact CB-OG 3.25Å; A758-S760 WeakPolarHBondContact CB-OG 3.38Å; A758-S760 PolarHBondContact O-N 3.11Å; A758-S760 VanDerWaalsContact O-N 3.12Å; S760-L762 VanDerWaalsContact C-N 3.33Å; S760-L762 PolarHBondContact O-N 3.34Å; S760-V763 WeakPolarHBondContact O-CB 3.25Å; S760-V763 PolarHBondContact O-N 3.23Å; S760-V763 VanDerWaalsContact O-N 3.13Å; S760-I764 PolarHBondContact O-N 2.96Å
761	H	95.9	Very high	95.8	Very high	3 Å²	3	11.6 Å²	11.6	1%	0.014	8%	0.081	C	C	.	.	H	α-helix	trans	-58.6	-45.3	176.3	-58.9	169.4	0	0	0	111	E699 Y721 C753 A758 V759 V763 I764 G765	E699-H761 VanDerWaalsContact CD-NE2 3.26Å; E699-H761 IonicContact OE1-CD2 2.79Å; E699-H761 IonicContact OE1-CE1 3.58Å; E699-H761 IonicContact OE1-NE2 2.87Å; E699-H761 PolarHBondContact OE1-NE2 3.37Å; E699-H761 IonicContact OE2-CD2 3.72Å; E699-H761 IonicContact OE2-NE2 3.61Å; E699-H761 PolarHBondContact OE2-NE2 3.2Å; Y721-H761 VanDerWaalsContact CB-CD2 3.46Å; Y721-H761 WeakPolarHBondContact CB-CD2 3.05Å; Y721-H761 WeakPolarHBondContact CB-NE2 3.18Å; Y721-H761 HydrophobicContact CD1-CB 3.79Å; Y721-H761 AromaticContact CD1-CD2 3.51Å; Y721-H761 AromaticContact CD1-CG 3.77Å; Y721-H761 HydrophobicContact CE1-CB 3.72Å; Y721-H761 HydrophobicContact CG-CB 4.37Å; Y721-H761 AromaticContact CG-CD2 3.56Å; Y721-H761 AromaticContact CG-CG 3.91Å; Y721-H761 AromaticContact CG-NE2 3.85Å; C753-H761 PolarHBondContact SG-O 2.95Å; A758-H761 PolarHBondContact N-CE1 3.03Å; A758-H761 PolarHBondContact N-ND1 2.83Å; A758-H761 VanDerWaalsContact O-CB 3.25Å; A758-H761 WeakPolarHBondContact O-CB 3.46Å; A758-H761 PolarHBondContact O-N 3.17Å; V759-H761 PolarHBondContact O-N 3.28Å; H761-V763 VanDerWaalsContact C-N 3.3Å; H761-V763 PolarHBondContact O-N 3.12Å; H761-I764 WeakPolarHBondContact O-CG2 3.04Å; H761-I764 PolarHBondContact O-N 2.87Å; H761-G765 PolarHBondContact O-N 3.05Å
762	L	97.4	Very high	95.8	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-69	-23.9	177.2	-69.9	168.7	0	0	0	113.6	V759 S760 F766 I772 L777 L778 L784 Y788	V759-L762 PolarHBondContact O-N 3.27Å; S760-L762 VanDerWaalsContact C-N 3.33Å; S760-L762 PolarHBondContact O-N 3.34Å; L762-F766 WeakPolarHBondContact O-CB 3.39Å; L762-F766 PolarHBondContact O-N 3.43Å; L762-I772 HydrophobicContact CD2-CD1 3.72Å; L762-L777 HydrophobicContact CD1-CB 3.62Å; L762-L778 HydrophobicContact CB-CD2 4.49Å; L762-L778 HydrophobicContact CD1-CB 4.49Å; L762-L778 HydrophobicContact CD1-CD2 3.85Å; L762-L778 HydrophobicContact CD1-CG 3.79Å; L762-L778 HydrophobicContact CD2-CD1 4.47Å; L762-L778 HydrophobicContact CD2-CD2 4.17Å; L762-L778 HydrophobicContact CD2-CG 3.98Å; L762-L778 HydrophobicContact CG-CD2 4.41Å; L762-L778 HydrophobicContact CG-CG 4.49Å; L762-L784 HydrophobicContact CB-CD1 3.62Å; L762-Y788 PolarHBondContact O-OH 3.32Å; L762-Y788 VanDerWaalsContact O-OH 3.08Å
763	V	97.5	Very high	95.8	Very high	0 Å²	0	11 Å²	11	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-67.7	-49.6	173.8	179.6	0	0	0	0	109.8	F424 L427 L428 I431 S760 H761 F766 M767 L784	F424-V763 HydrophobicContact CD2-CB 4.37Å; F424-V763 HydrophobicContact CD2-CG1 3.82Å; F424-V763 HydrophobicContact CE2-CB 4.05Å; F424-V763 HydrophobicContact CE2-CG1 4.01Å; L427-V763 HydrophobicContact CB-CG1 3.53Å; L427-V763 HydrophobicContact CD1-CG1 4.1Å; L427-V763 HydrophobicContact CG-CG1 4.49Å; L428-V763 HydrophobicContact CD2-CG2 4.02Å; I431-V763 HydrophobicContact CD1-CG2 3.83Å; S760-V763 WeakPolarHBondContact O-CB 3.25Å; S760-V763 PolarHBondContact O-N 3.23Å; S760-V763 VanDerWaalsContact O-N 3.13Å; H761-V763 VanDerWaalsContact C-N 3.3Å; H761-V763 PolarHBondContact O-N 3.12Å; V763-F766 WeakPolarHBondContact O-CB 3.45Å; V763-F766 PolarHBondContact O-N 3.3Å; V763-M767 HydrophobicContact CG1-SD 4.35Å; V763-M767 WeakPolarHBondContact O-CG 3.01Å; V763-M767 PolarHBondContact O-N 2.99Å; V763-M767 VanDerWaalsContact O-N 3.07Å; V763-L784 HydrophobicContact CG2-CD1 3.9Å; V763-L784 HydrophobicContact CG2-CD2 4.28Å
764	I	96.5	Very high	95.8	Very high	0 Å²	0	11 Å²	11	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-72	-31.7	179.7	-169.7	60.5	0	0	0	111.9	F420 F424 Y721 A722 L725 S760 H761 M767 F768	F420-I764 HydrophobicContact CD2-CD1 4.07Å; F420-I764 HydrophobicContact CE2-CD1 3.51Å; F420-I764 HydrophobicContact CZ-CD1 4.45Å; F424-I764 HydrophobicContact CD2-CB 4.31Å; F424-I764 HydrophobicContact CD2-CD1 4.46Å; F424-I764 HydrophobicContact CE2-CB 3.96Å; Y721-I764 HydrophobicContact CD1-CG2 3.65Å; Y721-I764 HydrophobicContact CE1-CG2 3.54Å; A722-I764 HydrophobicContact CB-CB 4.31Å; A722-I764 HydrophobicContact CB-CG1 4.29Å; A722-I764 HydrophobicContact CB-CG2 4.15Å; L725-I764 HydrophobicContact CB-CG1 3.99Å; L725-I764 HydrophobicContact CD1-CG1 4.22Å; L725-I764 HydrophobicContact CD1-CG2 3.91Å; S760-I764 PolarHBondContact O-N 2.96Å; H761-I764 WeakPolarHBondContact O-CG2 3.04Å; H761-I764 PolarHBondContact O-N 2.87Å; I764-M767 HydrophobicContact CD1-CB 4.28Å; I764-M767 HydrophobicContact CD1-SD 4.06Å; I764-M767 PolarHBondContact O-N 2.72Å; I764-F768 HydrophobicContact CD1-CD1 4.5Å; I764-F768 HydrophobicContact CD1-CD2 3.28Å; I764-F768 HydrophobicContact CD1-CE1 4.47Å; I764-F768 HydrophobicContact CD1-CE2 3.27Å; I764-F768 HydrophobicContact CD1-CG 3.93Å; I764-F768 HydrophobicContact CD1-CZ 3.9Å; I764-F768 HydrophobicContact CG1-CD2 3.91Å; I764-F768 HydrophobicContact CG1-CE2 4.25Å; I764-F768 PolarHBondContact O-N 2.74Å
765	G	97.6	Very high	95.9	Very high	0 Å²	0	11 Å²	11	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-56.3	-47.7	167.4	0	0	0	0	0	112.1	H761 M767 S769	H761-G765 PolarHBondContact O-N 3.05Å; G765-M767 VanDerWaalsContact C-N 3.34Å; G765-M767 PolarHBondContact O-N 2.91Å; G765-S769 VanDerWaalsContact O-CB 3.22Å; G765-S769 WeakPolarHBondContact O-CB 3.4Å; G765-S769 PolarHBondContact O-N 3.02Å; G765-S769 PolarHBondContact O-OG 2.84Å
766	F	98.4	Very high	96	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-63.2	-35	175.6	179.7	-101.5	0	0	0	113.7	R321 L427 L762 V763 L787 Y788 C791 V793	R321-F766 HydrophobicContact CB-CD1 4.39Å; R321-F766 HydrophobicContact CB-CE1 3.77Å; R321-F766 HydrophobicContact CB-CE2 4.45Å; R321-F766 HydrophobicContact CB-CZ 3.8Å; R321-F766 WeakPolarHBondContact CD-O 3.39Å; R321-F766 HydrophobicContact CG-CZ 4.39Å; R321-F766 WeakPolarHBondContact CG-O 3.48Å; R321-F766 PolarHBondContact NH1-O 3.49Å; L427-F766 HydrophobicContact CD1-CD1 4.26Å; L762-F766 WeakPolarHBondContact O-CB 3.39Å; L762-F766 PolarHBondContact O-N 3.43Å; V763-F766 WeakPolarHBondContact O-CB 3.45Å; V763-F766 PolarHBondContact O-N 3.3Å; F766-L787 HydrophobicContact CD2-CB 4.24Å; F766-L787 HydrophobicContact CE1-CB 4.5Å; F766-L787 HydrophobicContact CE1-CD1 4.36Å; F766-L787 HydrophobicContact CE2-CB 3.67Å; F766-L787 HydrophobicContact CZ-CB 3.82Å; F766-L787 HydrophobicContact CZ-CD1 4.41Å; F766-L787 HydrophobicContact CZ-CD2 4.26Å; F766-L787 HydrophobicContact CZ-CG 4.39Å; F766-Y788 HydrophobicContact CB-CD2 4.42Å; F766-Y788 HydrophobicContact CB-CE2 3.67Å; F766-Y788 AromaticContact CD2-CD2 3.92Å; F766-Y788 HydrophobicContact CD2-CD2 3.92Å; F766-Y788 AromaticContact CD2-CE2 4Å; F766-Y788 HydrophobicContact CD2-CE2 4Å; F766-Y788 HydrophobicContact CG-CE2 4.26Å; F766-Y788 PolarHBondContact N-OH 2.82Å; F766-C791 HydrophobicContact CE2-CB 3.99Å; F766-V793 HydrophobicContact CD2-CG2 4.33Å; F766-V793 HydrophobicContact CE2-CG2 4.44Å
767	M	97.8	Very high	96.3	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-71.9	-48.7	178.1	-68.1	169.9	68.4	0	0	112.1	I320 Y324 M325 F420 D423 F424 L427 V763 I764 G765	I320-M767 HydrophobicContact CG2-CE 4.48Å; I320-M767 HydrophobicContact CG2-CG 4.28Å; Y324-M767 VanDerWaalsContact CB-O 3.24Å; Y324-M767 WeakPolarHBondContact CB-O 3.47Å; Y324-M767 HydrophobicContact CD2-CB 4.31Å; Y324-M767 HydrophobicContact CD2-CE 4.4Å; Y324-M767 HydrophobicContact CE2-CE 3.69Å; M325-M767 WeakPolarHBondContact CE-O 3Å; F420-M767 HydrophobicContact CD2-CE 4.1Å; D423-M767 HydrophobicContact CB-CE 3.63Å; F424-M767 HydrophobicContact CB-CE 4.19Å; F424-M767 HydrophobicContact CB-SD 4.01Å; F424-M767 HydrophobicContact CD2-SD 3.98Å; L427-M767 HydrophobicContact CD1-CG 3.47Å; L427-M767 VanDerWaalsContact CD1-CG 3.47Å; L427-M767 HydrophobicContact CD1-SD 3.83Å; V763-M767 HydrophobicContact CG1-SD 4.35Å; V763-M767 WeakPolarHBondContact O-CG 3.01Å; V763-M767 PolarHBondContact O-N 2.99Å; V763-M767 VanDerWaalsContact O-N 3.07Å; I764-M767 HydrophobicContact CD1-CB 4.28Å; I764-M767 HydrophobicContact CD1-SD 4.06Å; I764-M767 PolarHBondContact O-N 2.72Å; G765-M767 VanDerWaalsContact C-N 3.34Å; G765-M767 PolarHBondContact O-N 2.91Å
768	F	97.7	Very high	96.7	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-113.2	-9.4	-161.4	-68.7	-12	0	0	0	115.7	Y324 M330 F420 Y726 Y729 L749 I764	Y324-F768 HydrophobicContact CD1-CD1 4.1Å; Y324-F768 AromaticContact CD1-CE1 3.62Å; Y324-F768 HydrophobicContact CD1-CE1 3.62Å; Y324-F768 HydrophobicContact CD2-CD1 4.08Å; Y324-F768 AromaticContact CD2-CE1 3.76Å; Y324-F768 HydrophobicContact CD2-CE1 3.76Å; Y324-F768 AromaticContact CE1-CE1 3.66Å; Y324-F768 HydrophobicContact CE1-CE1 3.66Å; Y324-F768 HydrophobicContact CE1-CZ 4.4Å; Y324-F768 AromaticContact CE2-CE1 3.8Å; Y324-F768 HydrophobicContact CE2-CE1 3.8Å; Y324-F768 AromaticContact CG-CD1 3.84Å; Y324-F768 HydrophobicContact CG-CD1 3.84Å; Y324-F768 AromaticContact CG-CE1 3.67Å; Y324-F768 HydrophobicContact CG-CE1 3.67Å; Y324-F768 AromaticContact CZ-CE1 3.74Å; M330-F768 WeakPolarHBondContact CE-O 3.46Å; F420-F768 HydrophobicContact CB-CZ 4.21Å; F420-F768 AromaticContact CD2-CE2 3.87Å; F420-F768 HydrophobicContact CD2-CE2 3.87Å; F420-F768 AromaticContact CD2-CZ 3.59Å; F420-F768 HydrophobicContact CD2-CZ 3.59Å; F420-F768 HydrophobicContact CE2-CE2 4.23Å; F420-F768 HydrophobicContact CE2-CZ 4.36Å; F420-F768 HydrophobicContact CG-CE2 4.49Å; F420-F768 HydrophobicContact CG-CZ 4.13Å; Y726-F768 HydrophobicContact CD2-CE2 4.19Å; Y726-F768 HydrophobicContact CD2-CZ 4.34Å; Y729-F768 AromaticContact CD1-CD1 3.71Å; Y729-F768 HydrophobicContact CD1-CD1 3.71Å; Y729-F768 AromaticContact CD1-CD2 3.97Å; Y729-F768 HydrophobicContact CD1-CD2 3.97Å; Y729-F768 AromaticContact CD1-CE1 3.8Å; Y729-F768 HydrophobicContact CD1-CE1 3.8Å; Y729-F768 HydrophobicContact CD1-CE2 4.04Å; Y729-F768 AromaticContact CD1-CG 3.83Å; Y729-F768 HydrophobicContact CD1-CG 3.83Å; Y729-F768 AromaticContact CD1-CZ 3.97Å; Y729-F768 HydrophobicContact CD1-CZ 3.97Å; Y729-F768 HydrophobicContact CD2-CB 3.55Å; Y729-F768 AromaticContact CD2-CD1 3.88Å; Y729-F768 HydrophobicContact CD2-CD1 3.88Å; Y729-F768 HydrophobicContact CD2-CD2 4.41Å; Y729-F768 AromaticContact CD2-CG 3.7Å; Y729-F768 HydrophobicContact CD2-CG 3.7Å; Y729-F768 WeakPolarHBondContact CD2-O 3.22Å; Y729-F768 AromaticContact CE1-CD1 3.95Å; Y729-F768 HydrophobicContact CE1-CD1 3.95Å; Y729-F768 AromaticContact CE1-CE1 3.95Å; Y729-F768 HydrophobicContact CE1-CE1 3.95Å; Y729-F768 HydrophobicContact CE1-CG 4.49Å; Y729-F768 HydrophobicContact CE1-CZ 4.45Å; Y729-F768 HydrophobicContact CE2-CB 4.34Å; Y729-F768 HydrophobicContact CE2-CD1 4.07Å; Y729-F768 HydrophobicContact CE2-CG 4.35Å; Y729-F768 HydrophobicContact CG-CB 3.73Å; Y729-F768 AromaticContact CG-CD1 3.72Å; Y729-F768 HydrophobicContact CG-CD1 3.72Å; Y729-F768 AromaticContact CG-CD2 3.71Å; Y729-F768 HydrophobicContact CG-CD2 3.71Å; Y729-F768 HydrophobicContact CG-CE1 4.27Å; Y729-F768 HydrophobicContact CG-CE2 4.25Å; Y729-F768 AromaticContact CG-CG 3.44Å; Y729-F768 HydrophobicContact CG-CG 3.44Å; Y729-F768 VanDerWaalsContact CG-CG 3.44Å; L749-F768 HydrophobicContact CD2-CB 4.27Å; I764-F768 HydrophobicContact CD1-CD1 4.5Å; I764-F768 HydrophobicContact CD1-CD2 3.28Å; I764-F768 HydrophobicContact CD1-CE1 4.47Å; I764-F768 HydrophobicContact CD1-CE2 3.27Å; I764-F768 HydrophobicContact CD1-CG 3.93Å; I764-F768 HydrophobicContact CD1-CZ 3.9Å; I764-F768 HydrophobicContact CG1-CD2 3.91Å; I764-F768 HydrophobicContact CG1-CE2 4.25Å; I764-F768 PolarHBondContact O-N 2.74Å
769	S	97.8	Very high	96.9	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.061	C	C	.	.			trans	-107.8	140.3	-173.2	-43	0	0	0	0	113	R321 L749 P751 G765 S771	R321-S769 VanDerWaalsContact CZ-O 3.3Å; R321-S769 PolarHBondContact NH1-O 3.04Å; R321-S769 PolarHBondContact NH2-O 3.49Å; L749-S769 WeakPolarHBondContact O-CA 3.47Å; P751-S769 WeakPolarHBondContact CD-OG 3.19Å; P751-S769 VanDerWaalsContact CG-OG 3.27Å; P751-S769 WeakPolarHBondContact CG-OG 3.11Å; G765-S769 VanDerWaalsContact O-CB 3.22Å; G765-S769 WeakPolarHBondContact O-CB 3.4Å; G765-S769 PolarHBondContact O-N 3.02Å; G765-S769 PolarHBondContact O-OG 2.84Å; S769-S771 VanDerWaalsContact CB-O 3.25Å; S769-S771 WeakPolarHBondContact CB-O 3.33Å
770	E	97.4	Very high	97	Very high	32 Å²	32	16.5 Å²	16.5	15%	0.15	8%	0.076	C	C	.	.	S	Bend	trans	-69	-47.1	174.3	-174.1	169	94.1	0	0	110.4	R321 M330 Q331 S748 L749	R321-E770 PolarHBondContact NH2-O 3.42Å; M330-E770 WeakPolarHBondContact CA-OE2 3.24Å; M330-E770 HydrophobicContact CB-CB 4.35Å; M330-E770 WeakPolarHBondContact CB-OE2 3.46Å; M330-E770 HydrophobicContact SD-CB 4.11Å; Q331-E770 HydrophobicContact CB-CG 4.25Å; Q331-E770 PolarHBondContact N-OE2 3.38Å; S748-E770 WeakPolarHBondContact CB-OE1 3.33Å; L749-E770 PolarHBondContact O-N 3.26Å
771	S	98	Very high	97.1	Very high	10 Å²	10	15.7 Å²	15.7	7%	0.07	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	171.6	168.5	77.8	0	0	0	0	109.9	R750 S769 G794	R750-S771 WeakPolarHBondContact CA-O 3.28Å; R750-S771 WeakPolarHBondContact CD-OG 3.5Å; R750-S771 VanDerWaalsContact CG-OG 3.24Å; R750-S771 WeakPolarHBondContact CG-OG 3.43Å; S769-S771 VanDerWaalsContact CB-O 3.25Å; S769-S771 WeakPolarHBondContact CB-O 3.33Å; S771-G794 CarbonylContact C-O 3.56Å; S771-G794 VanDerWaalsContact CA-O 3.26Å; S771-G794 WeakPolarHBondContact CA-O 3.49Å; S771-G794 VanDerWaalsContact CB-O 3.29Å; S771-G794 WeakPolarHBondContact CB-O 3.22Å
772	I	98.5	Very high	97.2	Very high	2 Å²	2	16.4 Å²	16.4	1%	0.01	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	166	171	60.7	164.3	0	0	0	110.9	C753 L762 L778 Y788 G794 I795 A796	C753-I772 HydrophobicContact CB-CB 3.89Å; C753-I772 HydrophobicContact CB-CD1 4.49Å; C753-I772 HydrophobicContact CB-CG2 3.77Å; L762-I772 HydrophobicContact CD2-CD1 3.72Å; I772-L778 HydrophobicContact CD1-CD1 4.38Å; I772-Y788 HydrophobicContact CD1-CD1 4.38Å; I772-Y788 HydrophobicContact CD1-CE1 3.48Å; I772-Y788 VanDerWaalsContact CD1-CE1 3.48Å; I772-Y788 HydrophobicContact CG1-CE1 3.87Å; I772-Y788 HydrophobicContact CG2-CE1 4.39Å; I772-G794 PolarHBondContact N-O 2.88Å; I772-I795 HydrophobicContact CD1-CG1 4.34Å; I772-I795 HydrophobicContact CD1-CG2 4.44Å; I772-I795 HydrophobicContact CG1-CB 4.43Å; I772-I795 HydrophobicContact CG1-CG1 4.05Å; I772-I795 HydrophobicContact CG1-CG2 4.27Å; I772-I795 WeakPolarHBondContact O-CA 3.39Å; I772-A796 PolarHBondContact O-N 3.39Å
773	A	98.1	Very high	97.2	Very high	2 Å²	2	16.4 Å²	16.4	2%	0.017	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	153.1	164.6	0	0	0	0	0	113.6	H483 P751 C753 G775 A796	H483-A773 WeakPolarHBondContact CD2-CB 3.35Å; H483-A773 WeakPolarHBondContact NE2-CB 3.46Å; P751-A773 PolarHBondContact O-N 2.91Å; C753-A773 PolarHBondContact N-O 3.23Å; C753-A773 VanDerWaalsContact O-O 3.06Å; A773-G775 VanDerWaalsContact C-N 3.3Å; A773-G775 PolarHBondContact O-N 3.38Å; A773-A796 CarbonylContact C-O 3.4Å; A773-A796 WeakPolarHBondContact CA-O 3.24Å
774	H	97	Very high	97.2	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	60.7	-65.6	-174.6	-39.2	-92.5	0	0	0	115.1	H483 H752 E755 L776 A796 N802 D829	H483-H774 AromaticContact CE1-CE1 3.53Å; H483-H774 AromaticContact CE1-NE2 3.44Å; H483-H774 PolarHBondContact CE1-NE2 3.08Å; H483-H774 AromaticContact NE2-NE2 3.54Å; H752-H774 AromaticContact CD2-NE2 3.33Å; H752-H774 PolarHBondContact CD2-NE2 2.94Å; H752-H774 VanDerWaalsContact CD2-NE2 3.33Å; H752-H774 AromaticContact CG-NE2 3.88Å; E755-H774 HydrophobicContact CB-CB 3.6Å; E755-H774 HydrophobicContact CG-CB 3.74Å; E755-H774 IonicContact OE1-CE1 2.76Å; E755-H774 IonicContact OE1-CG 3.43Å; E755-H774 IonicContact OE1-ND1 3.7Å; E755-H774 PolarHBondContact OE1-ND1 3.06Å; E755-H774 IonicContact OE2-CE1 2.7Å; E755-H774 IonicContact OE2-ND1 3.68Å; E755-H774 IonicContact OE2-NE2 2.76Å; H774-L776 HydrophobicContact CB-CG 4.4Å; H774-L776 PolarHBondContact O-N 3.28Å; H774-A796 WeakPolarHBondContact CA-O 3.3Å; H774-A796 PolarHBondContact N-O 3.49Å; H774-N802 PolarHBondContact ND1-ND2 3.22Å; H774-D829 IonicContact CE1-OD2 2.89Å; H774-D829 PolarHBondContact CE1-OD2 3.27Å
775	G	97.3	Very high	97.3	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.076	C	C	.	.			trans	57.5	20.3	179.7	0	0	0	0	0	115.7	C753 G754 A773 L777 L778 Y817	C753-G775 WeakPolarHBondContact O-CA 3.44Å; C753-G775 PolarHBondContact O-N 3.41Å; G754-G775 CarbonylContact O-C 3.55Å; A773-G775 VanDerWaalsContact C-N 3.3Å; A773-G775 PolarHBondContact O-N 3.38Å; G775-L777 VanDerWaalsContact C-N 3.25Å; G775-L777 PolarHBondContact O-N 2.82Å; G775-L778 WeakPolarHBondContact O-CB 3.33Å; G775-L778 PolarHBondContact O-N 3.05Å; G775-L778 VanDerWaalsContact O-N 3.15Å; G775-Y817 PolarHBondContact O-OH 2.82Å
776	L	96.5	Very high	97.4	Very high	8 Å²	8	16.7 Å²	16.7	4%	0.042	8%	0.076	C	C	.	.	G	3₁₀ helix	trans	-56.7	-36.3	-174.9	-69.3	-175.4	0	0	0	113.2	G754 E755 H774 L778 R779 M797 N802 F806 L807 P813 Y817	G754-L776 PolarHBondContact O-N 3.27Å; E755-L776 HydrophobicContact CG-CD1 3.86Å; E755-L776 HydrophobicContact CG-CG 4.43Å; H774-L776 HydrophobicContact CB-CG 4.4Å; H774-L776 PolarHBondContact O-N 3.28Å; L776-L778 VanDerWaalsContact C-N 3.27Å; L776-L778 PolarHBondContact O-N 3.31Å; L776-R779 WeakPolarHBondContact O-CD 3.28Å; L776-R779 WeakPolarHBondContact O-CG 3.34Å; L776-M797 HydrophobicContact CD2-CE 4.12Å; L776-N802 HydrophobicContact CD1-CB 4.04Å; L776-F806 HydrophobicContact CD1-CB 4.47Å; L776-L807 HydrophobicContact CD1-CD2 4.42Å; L776-L807 HydrophobicContact CD2-CD2 4.19Å; L776-P813 HydrophobicContact CD2-CG 4.08Å; L776-Y817 PolarHBondContact O-OH 3.37Å
777	L	95.8	Very high	97.4	Very high	13 Å²	13	16.8 Å²	16.8	7%	0.068	8%	0.076	C	C	.	.	G	3₁₀ helix	trans	-70.4	-16.3	-177.6	-72.3	-170.3	0	0	0	114	G754 A756 L762 G775 R779 K780	G754-L777 PolarHBondContact O-N 2.92Å; A756-L777 WeakPolarHBondContact O-CD1 3.2Å; L762-L777 HydrophobicContact CD1-CB 3.62Å; G775-L777 VanDerWaalsContact C-N 3.25Å; G775-L777 PolarHBondContact O-N 2.82Å; L777-R779 PolarHBondContact O-N 3.11Å; L777-R779 VanDerWaalsContact O-N 3.09Å; L777-K780 HydrophobicContact CD2-CD 3.98Å; L777-K780 WeakPolarHBondContact O-CB 3.24Å; L777-K780 PolarHBondContact O-N 3.19Å
778	L	97.7	Very high	97.4	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.076	C	C	.	.	G	3₁₀ helix	trans	-55.5	-30.6	176	-70.3	166.5	0	0	0	111.9	L762 I772 G775 L776 K780 V781 L784 Q785 Y788 I795 Y817	L762-L778 HydrophobicContact CB-CD2 4.49Å; L762-L778 HydrophobicContact CD1-CB 4.49Å; L762-L778 HydrophobicContact CD1-CD2 3.85Å; L762-L778 HydrophobicContact CD1-CG 3.79Å; L762-L778 HydrophobicContact CD2-CD1 4.47Å; L762-L778 HydrophobicContact CD2-CD2 4.17Å; L762-L778 HydrophobicContact CD2-CG 3.98Å; L762-L778 HydrophobicContact CG-CD2 4.41Å; L762-L778 HydrophobicContact CG-CG 4.49Å; I772-L778 HydrophobicContact CD1-CD1 4.38Å; G775-L778 WeakPolarHBondContact O-CB 3.33Å; G775-L778 PolarHBondContact O-N 3.05Å; G775-L778 VanDerWaalsContact O-N 3.15Å; L776-L778 VanDerWaalsContact C-N 3.27Å; L776-L778 PolarHBondContact O-N 3.31Å; L778-K780 PolarHBondContact O-N 2.69Å; L778-V781 CarbonylContact O-C 3.51Å; L778-V781 PolarHBondContact O-N 2.8Å; L778-L784 HydrophobicContact CD2-CB 3.64Å; L778-Q785 HydrophobicContact CB-CB 4.33Å; L778-Y788 HydrophobicContact CD1-CD1 3.88Å; L778-Y788 HydrophobicContact CD1-CD2 4.37Å; L778-Y788 HydrophobicContact CD1-CE1 4.2Å; L778-Y788 HydrophobicContact CD1-CG 3.99Å; L778-Y788 HydrophobicContact CD2-CD2 3.64Å; L778-Y788 HydrophobicContact CD2-CE2 3.74Å; L778-Y788 HydrophobicContact CD2-CG 4.07Å; L778-I795 HydrophobicContact CD1-CD1 3.61Å; L778-Y817 HydrophobicContact CB-CE2 4.44Å; L778-Y817 WeakPolarHBondContact CB-OH 3.05Å
779	R	95.7	Very high	97.5	Very high	112 Å²	112	17 Å²	17	42%	0.423	8%	0.077	S	C	.	.	G	3₁₀ helix	trans	-54.8	-22.1	173.3	78	-175.6	-80.4	160.1	5.5	114.7	L776 L777 R811 P813 Y817	L776-R779 WeakPolarHBondContact O-CD 3.28Å; L776-R779 WeakPolarHBondContact O-CG 3.34Å; L777-R779 PolarHBondContact O-N 3.11Å; L777-R779 VanDerWaalsContact O-N 3.09Å; R779-R811 PolarHBondContact NH1-O 2.79Å; R779-P813 HydrophobicContact CB-CB 4.16Å; R779-P813 HydrophobicContact CB-CG 4.48Å; R779-Y817 HydrophobicContact CB-CE1 4.32Å; R779-Y817 PolarHBondContact N-OH 2.66Å
780	K	93.9	Very high	97.5	Very high	136 Å²	136	17 Å²	17	59%	0.591	8%	0.077	S	C	*	.	G	3₁₀ helix	trans	-98	-8.8	-178.9	-57.3	-177.4	-171.9	164.9	0	112.5	L777 L778	L777-K780 HydrophobicContact CD2-CD 3.98Å; L777-K780 WeakPolarHBondContact O-CB 3.24Å; L777-K780 PolarHBondContact O-N 3.19Å; L778-K780 PolarHBondContact O-N 2.69Å
781	V	96.6	Very high	97.5	Very high	11 Å²	11	15.5 Å²	15.5	7%	0.067	7%	0.07	C	C	.	.			trans	-132	79.4	-165.4	-164.2	0	0	0	0	109.9	I431 V759 L778 V783 L784 Q785	I431-V781 HydrophobicContact CB-CG1 4.33Å; I431-V781 HydrophobicContact CD1-CG1 4.5Å; V759-V781 HydrophobicContact CB-CG2 4.21Å; V759-V781 HydrophobicContact CG1-CB 4.37Å; V759-V781 HydrophobicContact CG1-CG1 3.96Å; V759-V781 HydrophobicContact CG1-CG2 3.51Å; V759-V781 HydrophobicContact CG2-CG2 3.6Å; L778-V781 CarbonylContact O-C 3.51Å; L778-V781 PolarHBondContact O-N 2.8Å; V781-V783 PolarHBondContact O-N 3.07Å; V781-V783 VanDerWaalsContact O-N 3.13Å; V781-L784 HydrophobicContact CB-CB 4.33Å; V781-L784 HydrophobicContact CB-CD1 4.46Å; V781-L784 HydrophobicContact CG1-CB 3.98Å; V781-L784 HydrophobicContact CG1-CD1 3.84Å; V781-L784 HydrophobicContact CG1-CG 3.79Å; V781-L784 PolarHBondContact O-N 2.73Å; V781-L784 VanDerWaalsContact O-N 3.15Å; V781-Q785 PolarHBondContact O-N 2.99Å
782	P	97.3	Very high	97.5	Very high	18 Å²	18	17.8 Å²	17.8	12%	0.117	8%	0.079	C	C	.	.	H	α-helix	trans	-55.5	-34.6	-174	-27.6	35	0	0	0	114.5	K437 C440 H441 L444 Y786	K437-P782 HydrophobicContact CG-CB 4.48Å; K437-P782 HydrophobicContact CG-CG 4.14Å; C440-P782 HydrophobicContact CB-CB 4.3Å; H441-P782 HydrophobicContact CB-CB 3.82Å; H441-P782 HydrophobicContact CB-CG 3.96Å; L444-P782 HydrophobicContact CD1-CB 4.12Å; L444-P782 VanDerWaalsContact CD1-O 3.23Å; L444-P782 WeakPolarHBondContact CD1-O 3.4Å; P782-Y786 WeakPolarHBondContact O-CB 3.42Å; P782-Y786 PolarHBondContact O-N 3.35Å
783	V	98.1	Very high	97.5	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.006	8%	0.079	C	C	.	.	H	α-helix	trans	-63.7	-50.6	178.4	-174.9	0	0	0	0	110.9	T430 I431 L436 K437 C440 V781 Y786 L787	T430-V783 HydrophobicContact CG2-CG1 4.17Å; I431-V783 HydrophobicContact CB-CB 4.43Å; I431-V783 HydrophobicContact CG2-CB 4.16Å; I431-V783 HydrophobicContact CG2-CG1 4.12Å; L436-V783 HydrophobicContact CD2-CG1 3.88Å; L436-V783 HydrophobicContact CD2-CG2 4.41Å; L436-V783 HydrophobicContact CG-CG1 4.23Å; L436-V783 HydrophobicContact CG-CG2 4.06Å; K437-V783 HydrophobicContact CB-CG2 4.05Å; C440-V783 HydrophobicContact CB-CG2 4.46Å; V781-V783 PolarHBondContact O-N 3.07Å; V781-V783 VanDerWaalsContact O-N 3.13Å; V783-Y786 PolarHBondContact O-N 2.96Å; V783-L787 HydrophobicContact CG1-CD1 4.18Å; V783-L787 WeakPolarHBondContact O-CG 3.35Å; V783-L787 PolarHBondContact O-N 3.42Å
784	L	98.4	Very high	97.5	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-65.9	-44	175.6	-65.8	178.2	0	0	0	111.4	I431 V759 L762 V763 L778 V781 Y786 L787 Y788	I431-L784 HydrophobicContact CG2-CD1 4.3Å; I431-L784 HydrophobicContact CG2-CD2 3.69Å; I431-L784 HydrophobicContact CG2-CG 3.64Å; V759-L784 HydrophobicContact CG1-CD1 4.29Å; L762-L784 HydrophobicContact CB-CD1 3.62Å; V763-L784 HydrophobicContact CG2-CD1 3.9Å; V763-L784 HydrophobicContact CG2-CD2 4.28Å; L778-L784 HydrophobicContact CD2-CB 3.64Å; V781-L784 HydrophobicContact CB-CB 4.33Å; V781-L784 HydrophobicContact CB-CD1 4.46Å; V781-L784 HydrophobicContact CG1-CB 3.98Å; V781-L784 HydrophobicContact CG1-CD1 3.84Å; V781-L784 HydrophobicContact CG1-CG 3.79Å; V781-L784 PolarHBondContact O-N 2.73Å; V781-L784 VanDerWaalsContact O-N 3.15Å; L784-Y786 PolarHBondContact O-N 2.85Å; L784-L787 HydrophobicContact CD2-CD1 4.4Å; L784-L787 PolarHBondContact O-N 2.81Å; L784-L787 VanDerWaalsContact O-N 3.08Å; L784-Y788 HydrophobicContact CB-CD2 4.36Å; L784-Y788 HydrophobicContact CB-CE2 4.47Å; L784-Y788 WeakPolarHBondContact O-CB 3.46Å; L784-Y788 VanDerWaalsContact O-CD2 3.24Å; L784-Y788 WeakPolarHBondContact O-CD2 3.19Å; L784-Y788 PolarHBondContact O-N 3Å
785	Q	98.6	Very high	97.6	Very high	6 Å²	6	17.8 Å²	17.8	3%	0.028	8%	0.08	C	C	.	.	H	α-helix	trans	-56.2	-38	177.7	-177.7	173.2	87.6	0	0	112	L444 L778 V781 Y789 L822	L444-Q785 HydrophobicContact CD1-CB 3.85Å; L444-Q785 HydrophobicContact CD1-CG 3.88Å; L444-Q785 HydrophobicContact CD2-CG 3.86Å; L778-Q785 HydrophobicContact CB-CB 4.33Å; V781-Q785 PolarHBondContact O-N 2.99Å; Q785-Y789 WeakPolarHBondContact O-CB 3.43Å; Q785-Y789 PolarHBondContact O-N 3.09Å; Q785-Y789 VanDerWaalsContact O-N 3.12Å; Q785-L822 HydrophobicContact CG-CD1 4.27Å; Q785-L822 HydrophobicContact CG-CD2 4.09Å
786	Y	98.5	Very high	97.7	Very high	0 Å²	0	18 Å²	18	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-72.9	-40.4	176.1	-168.2	-123.2	0	0	0	112.4	F439 C440 R443 L444 L447 P782 V783 L784 Y789 L790 E917 I921	F439-Y786 HydrophobicContact CE1-CE1 4.13Å; C440-Y786 HydrophobicContact CB-CD1 4.24Å; C440-Y786 HydrophobicContact CB-CG 4.25Å; C440-Y786 VanDerWaalsContact SG-CD1 3.59Å; R443-Y786 HydrophobicContact CB-CD2 4.16Å; R443-Y786 HydrophobicContact CB-CE2 3.62Å; R443-Y786 HydrophobicContact CG-CE2 4.28Å; L444-Y786 HydrophobicContact CD2-CD2 4.14Å; L444-Y786 HydrophobicContact CG-CD2 4.13Å; L447-Y786 HydrophobicContact CD1-CD2 4.47Å; L447-Y786 HydrophobicContact CD1-CE2 4.26Å; P782-Y786 WeakPolarHBondContact O-CB 3.42Å; P782-Y786 PolarHBondContact O-N 3.35Å; V783-Y786 PolarHBondContact O-N 2.96Å; L784-Y786 PolarHBondContact O-N 2.85Å; Y786-Y789 HydrophobicContact CD2-CD1 4.01Å; Y786-Y789 HydrophobicContact CE2-CD1 4.01Å; Y786-Y789 HydrophobicContact CE2-CE1 4.27Å; Y786-Y789 WeakPolarHBondContact O-CB 3.41Å; Y786-Y789 PolarHBondContact O-N 3.45Å; Y786-L790 HydrophobicContact CD1-CD1 3.86Å; Y786-L790 HydrophobicContact CD1-CG 4.45Å; Y786-L790 HydrophobicContact CE1-CD1 3.68Å; Y786-L790 HydrophobicContact CE1-CG 4.28Å; Y786-L790 HydrophobicContact CE2-CD2 4.4Å; Y786-L790 HydrophobicContact CE2-CG 4.46Å; Y786-L790 HydrophobicContact CG-CD1 4.47Å; Y786-L790 WeakPolarHBondContact O-CG 3.18Å; Y786-L790 PolarHBondContact O-N 3.2Å; Y786-E917 PolarHBondContact OH-OE2 2.85Å; Y786-I921 HydrophobicContact CE1-CD1 4Å
787	L	98.6	Very high	97.8	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.005	8%	0.08	C	C	.	.	H	α-helix	trans	-64.1	-40.8	174.3	-71.7	170.7	0	0	0	112.7	V314 A317 L318 F766 V783 L784 Y789 L790 C791	V314-L787 HydrophobicContact CG1-CD2 4.11Å; A317-L787 HydrophobicContact CB-CD1 3.86Å; A317-L787 HydrophobicContact CB-CD2 3.76Å; A317-L787 HydrophobicContact CB-CG 4.5Å; L318-L787 HydrophobicContact CD2-CD2 4.25Å; F766-L787 HydrophobicContact CD2-CB 4.24Å; F766-L787 HydrophobicContact CE1-CB 4.5Å; F766-L787 HydrophobicContact CE1-CD1 4.36Å; F766-L787 HydrophobicContact CE2-CB 3.67Å; F766-L787 HydrophobicContact CZ-CB 3.82Å; F766-L787 HydrophobicContact CZ-CD1 4.41Å; F766-L787 HydrophobicContact CZ-CD2 4.26Å; F766-L787 HydrophobicContact CZ-CG 4.39Å; V783-L787 HydrophobicContact CG1-CD1 4.18Å; V783-L787 WeakPolarHBondContact O-CG 3.35Å; V783-L787 PolarHBondContact O-N 3.42Å; L784-L787 HydrophobicContact CD2-CD1 4.4Å; L784-L787 PolarHBondContact O-N 2.81Å; L784-L787 VanDerWaalsContact O-N 3.08Å; L787-Y789 VanDerWaalsContact C-N 3.32Å; L787-Y789 PolarHBondContact O-N 3.08Å; L787-L790 PolarHBondContact O-N 3.25Å; L787-C791 VanDerWaalsContact O-CB 3.3Å; L787-C791 WeakPolarHBondContact O-CB 3.31Å; L787-C791 PolarHBondContact O-N 3.45Å
788	Y	98.6	Very high	97.9	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-63.3	-37.7	173.6	-88.1	-108.5	0	0	0	111.8	L762 F766 I772 L778 L784 Q792 V793 I795	L762-Y788 PolarHBondContact O-OH 3.32Å; L762-Y788 VanDerWaalsContact O-OH 3.08Å; F766-Y788 HydrophobicContact CB-CD2 4.42Å; F766-Y788 HydrophobicContact CB-CE2 3.67Å; F766-Y788 AromaticContact CD2-CD2 3.92Å; F766-Y788 HydrophobicContact CD2-CD2 3.92Å; F766-Y788 AromaticContact CD2-CE2 4Å; F766-Y788 HydrophobicContact CD2-CE2 4Å; F766-Y788 HydrophobicContact CG-CE2 4.26Å; F766-Y788 PolarHBondContact N-OH 2.82Å; I772-Y788 HydrophobicContact CD1-CD1 4.38Å; I772-Y788 HydrophobicContact CD1-CE1 3.48Å; I772-Y788 VanDerWaalsContact CD1-CE1 3.48Å; I772-Y788 HydrophobicContact CG1-CE1 3.87Å; I772-Y788 HydrophobicContact CG2-CE1 4.39Å; L778-Y788 HydrophobicContact CD1-CD1 3.88Å; L778-Y788 HydrophobicContact CD1-CD2 4.37Å; L778-Y788 HydrophobicContact CD1-CE1 4.2Å; L778-Y788 HydrophobicContact CD1-CG 3.99Å; L778-Y788 HydrophobicContact CD2-CD2 3.64Å; L778-Y788 HydrophobicContact CD2-CE2 3.74Å; L778-Y788 HydrophobicContact CD2-CG 4.07Å; L784-Y788 HydrophobicContact CB-CD2 4.36Å; L784-Y788 HydrophobicContact CB-CE2 4.47Å; L784-Y788 WeakPolarHBondContact O-CB 3.46Å; L784-Y788 VanDerWaalsContact O-CD2 3.24Å; L784-Y788 WeakPolarHBondContact O-CD2 3.19Å; L784-Y788 PolarHBondContact O-N 3Å; Y788-Q792 WeakPolarHBondContact O-CA 3.3Å; Y788-Q792 PolarHBondContact O-N 3.18Å; Y788-Q792 VanDerWaalsContact O-N 3.08Å; Y788-V793 HydrophobicContact CD1-CB 3.57Å; Y788-V793 HydrophobicContact CD1-CG1 3.74Å; Y788-V793 HydrophobicContact CD1-CG2 4.16Å; Y788-V793 HydrophobicContact CE1-CB 4.05Å; Y788-V793 HydrophobicContact CE1-CG1 3.67Å; Y788-V793 HydrophobicContact CG-CB 4.21Å; Y788-V793 HydrophobicContact CG-CG2 4.37Å; Y788-V793 PolarHBondContact O-N 3.05Å; Y788-I795 HydrophobicContact CD1-CD1 4.08Å; Y788-I795 HydrophobicContact CD1-CG1 4.2Å
789	Y	98.7	Very high	97.9	Very high	5 Å²	5	17 Å²	17	2%	0.02	8%	0.076	C	C	.	.	H	α-helix	trans	-63.4	-52.9	171.5	162.9	-100	0	0	0	112.2	L447 Q785 Y786 L787 C791 Q792 K820 G821 L914 E917	L447-Y789 HydrophobicContact CD1-CD1 3.77Å; L447-Y789 HydrophobicContact CD1-CD2 4.25Å; L447-Y789 HydrophobicContact CD1-CE1 3.53Å; L447-Y789 HydrophobicContact CD1-CE2 4.03Å; L447-Y789 HydrophobicContact CD1-CG 4.13Å; L447-Y789 HydrophobicContact CD2-CE1 4.32Å; L447-Y789 HydrophobicContact CD2-CE2 4.43Å; L447-Y789 WeakPolarHBondContact CD2-OH 3.4Å; Q785-Y789 WeakPolarHBondContact O-CB 3.43Å; Q785-Y789 PolarHBondContact O-N 3.09Å; Q785-Y789 VanDerWaalsContact O-N 3.12Å; Y786-Y789 HydrophobicContact CD2-CD1 4.01Å; Y786-Y789 HydrophobicContact CE2-CD1 4.01Å; Y786-Y789 HydrophobicContact CE2-CE1 4.27Å; Y786-Y789 WeakPolarHBondContact O-CB 3.41Å; Y786-Y789 PolarHBondContact O-N 3.45Å; L787-Y789 VanDerWaalsContact C-N 3.32Å; L787-Y789 PolarHBondContact O-N 3.08Å; Y789-C791 PolarHBondContact O-N 2.92Å; Y789-Q792 PolarHBondContact O-N 2.75Å; Y789-Q792 VanDerWaalsContact O-N 3.09Å; Y789-Q792 PolarHBondContact O-NE2 2.87Å; Y789-K820 WeakPolarHBondContact CD2-O 3.41Å; Y789-K820 VanDerWaalsContact CE2-O 3.25Å; Y789-K820 WeakPolarHBondContact CE2-O 3.17Å; Y789-G821 WeakPolarHBondContact CD2-O 3.38Å; Y789-L914 HydrophobicContact CE1-CD1 4.03Å; Y789-L914 VanDerWaalsContact OH-CA 3.31Å; Y789-L914 WeakPolarHBondContact OH-CA 3.49Å; Y789-L914 PolarHBondContact OH-N 2.89Å; Y789-E917 HydrophobicContact CE1-CB 4.14Å; Y789-E917 HydrophobicContact CE1-CG 3.9Å
790	L	98.3	Very high	97.8	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-61.1	-46.4	-178.1	-68.6	171.1	0	0	0	111.5	V314 L318 V336 Y786 L787 Q792 L914 E917 L918 I921	V314-L790 HydrophobicContact CG1-CD1 3.58Å; L318-L790 HydrophobicContact CD2-CB 4.1Å; L318-L790 HydrophobicContact CD2-CD1 4.43Å; V336-L790 WeakPolarHBondContact CG2-O 3.37Å; Y786-L790 HydrophobicContact CD1-CD1 3.86Å; Y786-L790 HydrophobicContact CD1-CG 4.45Å; Y786-L790 HydrophobicContact CE1-CD1 3.68Å; Y786-L790 HydrophobicContact CE1-CG 4.28Å; Y786-L790 HydrophobicContact CE2-CD2 4.4Å; Y786-L790 HydrophobicContact CE2-CG 4.46Å; Y786-L790 HydrophobicContact CG-CD1 4.47Å; Y786-L790 WeakPolarHBondContact O-CG 3.18Å; Y786-L790 PolarHBondContact O-N 3.2Å; L787-L790 PolarHBondContact O-N 3.25Å; L790-Q792 PolarHBondContact O-N 2.83Å; L790-L914 HydrophobicContact CD2-CD1 4.48Å; L790-E917 HydrophobicContact CD2-CB 4.17Å; L790-L918 HydrophobicContact CD2-CD2 4.02Å; L790-L918 HydrophobicContact CD2-CG 4.35Å; L790-I921 HydrophobicContact CD1-CD1 3.52Å; L790-I921 HydrophobicContact CD2-CD1 3.72Å; L790-I921 HydrophobicContact CG-CD1 4.28Å
791	C	98.1	Very high	97.9	Very high	1 Å²	1	6.3 Å²	6.3	1%	0.007	3%	0.034	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	5.4	177.4	-70.9	0	0	0	0	114.2	L318 P333 F766 L787 Y789 V793	L318-C791 WeakPolarHBondContact CD2-SG 3.45Å; P333-C791 WeakPolarHBondContact CG-O 3.28Å; F766-C791 HydrophobicContact CE2-CB 3.99Å; L787-C791 VanDerWaalsContact O-CB 3.3Å; L787-C791 WeakPolarHBondContact O-CB 3.31Å; L787-C791 PolarHBondContact O-N 3.45Å; Y789-C791 PolarHBondContact O-N 2.92Å; C791-V793 HydrophobicContact CB-CG2 3.62Å; C791-V793 PolarHBondContact O-N 3.23Å
792	Q	98.1	Very high	97.7	Very high	57 Å²	57	5.8 Å²	5.8	27%	0.266	3%	0.031	S	C	.	.	T	Hydrogen-bonded Turn	trans	42.2	40.8	-179.4	-70.4	-71.3	-70.1	0	0	113.4	P333 Y788 Y789 L790 G794 G821 N823 L914	P333-Q792 HydrophobicContact CG-CB 4.27Å; Y788-Q792 WeakPolarHBondContact O-CA 3.3Å; Y788-Q792 PolarHBondContact O-N 3.18Å; Y788-Q792 VanDerWaalsContact O-N 3.08Å; Y789-Q792 PolarHBondContact O-N 2.75Å; Y789-Q792 VanDerWaalsContact O-N 3.09Å; Y789-Q792 PolarHBondContact O-NE2 2.87Å; L790-Q792 PolarHBondContact O-N 2.83Å; Q792-G794 PolarHBondContact O-N 3.06Å; Q792-G821 PolarHBondContact NE2-O 3.41Å; Q792-N823 HydrophobicContact CB-CB 4.4Å; Q792-N823 WeakPolarHBondContact O-CB 3.06Å; Q792-N823 PolarHBondContact O-ND2 2.74Å; Q792-L914 HydrophobicContact CG-CD2 3.71Å
793	V	98.4	Very high	97.4	Very high	2 Å²	2	7.9 Å²	7.9	1%	0.012	4%	0.041	C	C	.	.			trans	-67.5	129.3	-175.5	-175.1	0	0	0	0	108.6	F766 Y788 C791	F766-V793 HydrophobicContact CD2-CG2 4.33Å; F766-V793 HydrophobicContact CE2-CG2 4.44Å; Y788-V793 HydrophobicContact CD1-CB 3.57Å; Y788-V793 HydrophobicContact CD1-CG1 3.74Å; Y788-V793 HydrophobicContact CD1-CG2 4.16Å; Y788-V793 HydrophobicContact CE1-CB 4.05Å; Y788-V793 HydrophobicContact CE1-CG1 3.67Å; Y788-V793 HydrophobicContact CG-CB 4.21Å; Y788-V793 HydrophobicContact CG-CG2 4.37Å; Y788-V793 PolarHBondContact O-N 3.05Å; C791-V793 HydrophobicContact CB-CG2 3.62Å; C791-V793 PolarHBondContact O-N 3.23Å
794	G	98.4	Very high	96.7	Very high	3 Å²	3	8.5 Å²	8.5	3%	0.031	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	136.8	-179.8	0	0	0	0	0	111.7	S771 I772 Q792 N823	S771-G794 CarbonylContact C-O 3.56Å; S771-G794 VanDerWaalsContact CA-O 3.26Å; S771-G794 WeakPolarHBondContact CA-O 3.49Å; S771-G794 VanDerWaalsContact CB-O 3.29Å; S771-G794 WeakPolarHBondContact CB-O 3.22Å; I772-G794 PolarHBondContact N-O 2.88Å; Q792-G794 PolarHBondContact O-N 3.06Å; G794-N823 CarbonylContact C-O 3.5Å; G794-N823 WeakPolarHBondContact CA-O 3.35Å
795	I	98.8	Very high	95.7	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	105.5	175.3	-51.4	171.3	0	0	0	108.2	I772 L778 Y788 M797 Y817 L822 N823 I824 S825	I772-I795 HydrophobicContact CD1-CG1 4.34Å; I772-I795 HydrophobicContact CD1-CG2 4.44Å; I772-I795 HydrophobicContact CG1-CB 4.43Å; I772-I795 HydrophobicContact CG1-CG1 4.05Å; I772-I795 HydrophobicContact CG1-CG2 4.27Å; I772-I795 WeakPolarHBondContact O-CA 3.39Å; L778-I795 HydrophobicContact CD1-CD1 3.61Å; Y788-I795 HydrophobicContact CD1-CD1 4.08Å; Y788-I795 HydrophobicContact CD1-CG1 4.2Å; I795-M797 HydrophobicContact CG2-CG 3.72Å; I795-M797 HydrophobicContact CG2-SD 4.33Å; I795-Y817 HydrophobicContact CD1-CD2 4.45Å; I795-L822 HydrophobicContact CD1-CD2 3.78Å; I795-N823 PolarHBondContact N-O 3.12Å; I795-I824 HydrophobicContact CB-CG2 4.35Å; I795-I824 CarbonylContact O-C 3.52Å; I795-I824 WeakPolarHBondContact O-CA 3.49Å; I795-S825 PolarHBondContact O-N 3.32Å
796	A	98.7	Very high	94.8	Very high	4 Å²	4	9.9 Å²	9.9	3%	0.033	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	118.6	171.7	0	0	0	0	0	109.5	T482 H483 I772 A773 H774 S825	T482-A796 WeakPolarHBondContact OG1-CB 3.22Å; H483-A796 HydrophobicContact CB-CB 3.75Å; I772-A796 PolarHBondContact O-N 3.39Å; A773-A796 CarbonylContact C-O 3.4Å; A773-A796 WeakPolarHBondContact CA-O 3.24Å; H774-A796 WeakPolarHBondContact CA-O 3.3Å; H774-A796 PolarHBondContact N-O 3.49Å; A796-S825 WeakPolarHBondContact CA-OG 3.25Å
797	M	98.5	Very high	94.2	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	134.2	-174.6	-60.9	-170	73.8	0	0	111.2	L776 I795 P799 N812 P813 L814 Y817 I824 S825 S827	L776-M797 HydrophobicContact CD2-CE 4.12Å; I795-M797 HydrophobicContact CG2-CG 3.72Å; I795-M797 HydrophobicContact CG2-SD 4.33Å; M797-P799 VanDerWaalsContact C-CD 3.49Å; M797-P799 VanDerWaalsContact O-CD 3.26Å; M797-P799 WeakPolarHBondContact O-CD 3.03Å; M797-N812 WeakPolarHBondContact CE-OD1 3.28Å; M797-P813 HydrophobicContact CE-CG 4.08Å; M797-L814 HydrophobicContact CB-CD1 3.89Å; M797-L814 HydrophobicContact CE-CB 3.92Å; M797-L814 HydrophobicContact SD-CB 3.85Å; M797-L814 HydrophobicContact SD-CD1 4.22Å; M797-L814 HydrophobicContact SD-CG 3.92Å; M797-Y817 HydrophobicContact CE-CD2 4.09Å; M797-Y817 HydrophobicContact CE-CE2 4.03Å; M797-Y817 HydrophobicContact SD-CD2 3.74Å; M797-Y817 HydrophobicContact SD-CE2 4.19Å; M797-I824 HydrophobicContact SD-CB 4.43Å; M797-I824 HydrophobicContact SD-CG2 3.88Å; M797-S825 PolarHBondContact N-O 2.93Å; M797-S827 VanDerWaalsContact C-OG 3.23Å; M797-S827 PolarHBondContact N-OG 2.78Å; M797-S827 PolarHBondContact O-N 3.05Å; M797-S827 PolarHBondContact O-OG 3.33Å; M797-S827 VanDerWaalsContact O-OG 3.07Å
798	S	97.8	Very high	93.7	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.073	C	C	.	.			trans	-119.5	78.5	179.6	-66.5	0	0	0	0	112.5	L800 S801 N802 S827 D829	S798-L800 PolarHBondContact O-N 2.96Å; S798-S801 PolarHBondContact O-N 3.07Å; S798-N802 PolarHBondContact O-N 3.24Å; S798-N802 PolarHBondContact O-OD1 3.17Å; S798-S827 VanDerWaalsContact CA-O 3.29Å; S798-S827 WeakPolarHBondContact CA-O 3.43Å; S798-S827 VanDerWaalsContact CB-O 3.31Å; S798-S827 WeakPolarHBondContact CB-O 3.44Å; S798-S827 PolarHBondContact OG-O 2.66Å; S798-S827 PolarHBondContact OG-OG 3.26Å; S798-D829 PolarHBondContact OG-N 3.12Å
799	P	97.3	Very high	93.5	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-53.8	-37.4	-174.2	-30.9	37.1	0	0	0	117.6	M797 N803 Y809 L814 L826 E844 W852	M797-P799 VanDerWaalsContact C-CD 3.49Å; M797-P799 VanDerWaalsContact O-CD 3.26Å; M797-P799 WeakPolarHBondContact O-CD 3.03Å; P799-N803 WeakPolarHBondContact O-CB 3.4Å; P799-N803 PolarHBondContact O-N 2.81Å; P799-Y809 HydrophobicContact CB-CD2 3.96Å; P799-Y809 HydrophobicContact CB-CE1 4.42Å; P799-Y809 HydrophobicContact CB-CE2 3.31Å; P799-L814 HydrophobicContact CG-CD1 3.73Å; P799-L826 HydrophobicContact CG-CD2 3.69Å; P799-E844 VanDerWaalsContact CD-OE1 3.24Å; P799-E844 WeakPolarHBondContact CD-OE1 3.46Å; P799-E844 VanDerWaalsContact N-OE1 3.11Å; P799-W852 HydrophobicContact CB-CH2 3.75Å; P799-W852 HydrophobicContact CB-CZ2 4.46Å; P799-W852 HydrophobicContact CG-CH2 3.59Å; P799-W852 HydrophobicContact CG-CZ3 4.17Å
800	L	95.3	Very high	93.1	Very high	23 Å²	23	19.7 Å²	19.7	12%	0.12	11%	0.105	C	C	.	.	H	α-helix	trans	-69.9	-44.3	178.1	-70.9	174.1	0	0	0	111.4	S798 N803 G804 Y809 F834 E843 E844 I847	S798-L800 PolarHBondContact O-N 2.96Å; L800-N803 WeakPolarHBondContact O-CB 3.3Å; L800-N803 PolarHBondContact O-N 3.24Å; L800-G804 PolarHBondContact O-N 2.72Å; L800-Y809 HydrophobicContact CD2-CD2 4.01Å; L800-Y809 HydrophobicContact CD2-CE2 3.69Å; L800-Y809 HydrophobicContact CG-CE2 3.96Å; L800-F834 HydrophobicContact CB-CB 4.22Å; L800-E843 HydrophobicContact CD1-CG 4.49Å; L800-E844 WeakPolarHBondContact CB-OE1 3.36Å; L800-E844 HydrophobicContact CD1-CG 3.96Å; L800-E844 HydrophobicContact CG-CG 4.31Å; L800-E844 WeakPolarHBondContact CG-OE1 3.37Å; L800-E844 PolarHBondContact N-OE1 3.36Å; L800-I847 HydrophobicContact CD1-CD1 4.09Å; L800-I847 HydrophobicContact CD2-CD1 4.04Å
801	S	94.1	Very high	92.8	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-58.7	-53.1	171.7	170.8	0	0	0	0	111	S798 N803 G804 L805 D829 F834	S798-S801 PolarHBondContact O-N 3.07Å; S801-N803 PolarHBondContact O-N 3.26Å; S801-N803 VanDerWaalsContact O-N 3.12Å; S801-G804 WeakPolarHBondContact O-CA 3.34Å; S801-G804 PolarHBondContact O-N 3.26Å; S801-L805 PolarHBondContact O-N 3.01Å; S801-D829 WeakPolarHBondContact CB-OD2 3.38Å; S801-D829 PolarHBondContact OG-OD2 3.1Å; S801-F834 VanDerWaalsContact OG-CE2 3.3Å; S801-F834 WeakPolarHBondContact OG-CE2 3.21Å
802	N	92.9	Very high	92.8	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-57.1	-34.5	177.4	-59.8	153.2	0	0	0	111.9	E755 H774 L776 S798 L805 F806 L807 N812	E755-N802 PolarHBondContact OE1-ND2 3.47Å; H774-N802 PolarHBondContact ND1-ND2 3.22Å; L776-N802 HydrophobicContact CD1-CB 4.04Å; S798-N802 PolarHBondContact O-N 3.24Å; S798-N802 PolarHBondContact O-OD1 3.17Å; N802-L805 PolarHBondContact O-N 3.17Å; N802-F806 PolarHBondContact O-N 3.09Å; N802-L807 PolarHBondContact O-N 3.17Å; N802-N812 PolarHBondContact OD1-ND2 3.15Å; N802-N812 VanDerWaalsContact OD1-ND2 3.08Å
803	N	91.3	Very high	92.7	Very high	63 Å²	63	23.9 Å²	23.9	34%	0.337	12%	0.12	S	C	.	.	H	α-helix	trans	-70.5	-34.8	175.1	172.8	82.1	0	0	0	113.3	P799 L800 S801 L807 A808 Y809	P799-N803 WeakPolarHBondContact O-CB 3.4Å; P799-N803 PolarHBondContact O-N 2.81Å; L800-N803 WeakPolarHBondContact O-CB 3.3Å; L800-N803 PolarHBondContact O-N 3.24Å; S801-N803 PolarHBondContact O-N 3.26Å; S801-N803 VanDerWaalsContact O-N 3.12Å; N803-L807 VanDerWaalsContact CA-O 3.28Å; N803-L807 WeakPolarHBondContact CA-O 3.46Å; N803-A808 WeakPolarHBondContact OD1-CA 3.25Å; N803-Y809 HydrophobicContact CB-CD2 4.07Å; N803-Y809 PolarHBondContact OD1-N 2.58Å
804	G	82.9	Confident	92.7	Very high	13 Å²	13	23.8 Å²	23.8	13%	0.134	12%	0.119	C	C	.	.	H	α-helix	trans	-69.4	-33.1	172.1	0	0	0	0	0	113.4	F549 L800 S801	F549-G804 VanDerWaalsContact CA-O 3.3Å; F549-G804 WeakPolarHBondContact CA-O 3.39Å; F549-G804 PolarHBondContact N-O 2.76Å; L800-G804 PolarHBondContact O-N 2.72Å; S801-G804 WeakPolarHBondContact O-CA 3.34Å; S801-G804 PolarHBondContact O-N 3.26Å
805	L	79	Confident	92.7	Very high	3 Å²	3	25.6 Å²	25.6	2%	0.016	13%	0.13	C	C	.	.	H	α-helix	trans	-107.9	-44.5	-167.8	-60.8	-178.6	0	0	0	115.8	T548 H550 F552 F555 S801 N802 F834	T548-L805 HydrophobicContact CG2-CD2 3.79Å; H550-L805 PolarHBondContact N-O 3.25Å; H550-L805 PolarHBondContact ND1-O 3.17Å; F552-L805 HydrophobicContact CE2-CD1 4.44Å; F555-L805 HydrophobicContact CB-CD2 3.81Å; F555-L805 HydrophobicContact CD2-CD1 4.06Å; F555-L805 HydrophobicContact CD2-CD2 3.74Å; F555-L805 HydrophobicContact CD2-CG 4.43Å; F555-L805 HydrophobicContact CE2-CD1 4.06Å; F555-L805 HydrophobicContact CG-CD1 4.31Å; F555-L805 HydrophobicContact CG-CD2 3.89Å; F555-L805 HydrophobicContact CZ-CD1 4.33Å; S801-L805 PolarHBondContact O-N 3.01Å; N802-L805 PolarHBondContact O-N 3.17Å; L805-F834 HydrophobicContact CD1-CZ 4.14Å; L805-F834 HydrophobicContact CD2-CZ 4.46Å; L805-F834 HydrophobicContact CG-CE1 4.46Å; L805-F834 HydrophobicContact CG-CZ 4.07Å
806	F	79.6	Confident	92.6	Very high	33 Å²	33	27.7 Å²	27.7	15%	0.145	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-134.4	-29.2	-162.8	-62.9	-71.7	0	0	0	115.9	F549 H550 F552 E755 A756 L776 N802	F549-F806 VanDerWaalsContact CZ-C 3.47Å; H550-F806 PolarHBondContact CE1-O 2.89Å; F552-F806 HydrophobicContact CD2-CE2 4.44Å; F552-F806 AromaticContact CD2-CZ 3.94Å; F552-F806 HydrophobicContact CD2-CZ 3.94Å; F552-F806 HydrophobicContact CE2-CZ 4.48Å; E755-F806 HydrophobicContact CG-CD2 3.64Å; E755-F806 HydrophobicContact CG-CE2 3.79Å; E755-F806 HydrophobicContact CG-CG 4.49Å; E755-F806 VanDerWaalsContact OE1-CD2 3.31Å; E755-F806 WeakPolarHBondContact OE1-CD2 3.45Å; E755-F806 WeakPolarHBondContact OE1-CE2 3.39Å; E755-F806 WeakPolarHBondContact OE2-CE2 3.17Å; A756-F806 HydrophobicContact CB-CD1 4.11Å; A756-F806 HydrophobicContact CB-CE1 3.65Å; A756-F806 HydrophobicContact CB-CZ 3.98Å; L776-F806 HydrophobicContact CD1-CB 4.47Å; N802-F806 PolarHBondContact O-N 3.09Å
807	L	85.4	Confident	92.6	Very high	30 Å²	30	27.5 Å²	27.5	16%	0.157	14%	0.14	C	C	.	.	S	Bend	trans	-158.8	110	-163.2	-176.7	64.2	0	0	0	112.5	L776 N802 N803 Y809 R811	L776-L807 HydrophobicContact CD1-CD2 4.42Å; L776-L807 HydrophobicContact CD2-CD2 4.19Å; N802-L807 PolarHBondContact O-N 3.17Å; N803-L807 VanDerWaalsContact CA-O 3.28Å; N803-L807 WeakPolarHBondContact CA-O 3.46Å; L807-Y809 PolarHBondContact O-N 3.48Å; L807-R811 HydrophobicContact CD1-CB 3.62Å; L807-R811 HydrophobicContact CG-CB 4.08Å
808	A	88.2	Confident	92.6	Very high	32 Å²	32	27.8 Å²	27.8	26%	0.264	14%	0.141	S	C	.	.			trans	-45.9	135.7	176.9	0	0	0	0	0	113	N803 H810 R811 N812	N803-A808 WeakPolarHBondContact OD1-CA 3.25Å; A808-H810 VanDerWaalsContact C-N 3.33Å; A808-H810 PolarHBondContact O-N 3.41Å; A808-H810 VanDerWaalsContact O-N 3.12Å; A808-R811 WeakPolarHBondContact O-CA 3.48Å; A808-R811 WeakPolarHBondContact O-CB 3.24Å; A808-R811 PolarHBondContact O-N 3.49Å; A808-N812 PolarHBondContact O-N 3.48Å
809	Y	93.2	Very high	92.6	Very high	19 Å²	19	27.9 Å²	27.9	8%	0.075	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-49.7	-45.8	-166	-158.9	-81.2	0	0	0	114	P799 L800 N803 L807 R811 N812 E844 I847 A848 V851 W852	P799-Y809 HydrophobicContact CB-CD2 3.96Å; P799-Y809 HydrophobicContact CB-CE1 4.42Å; P799-Y809 HydrophobicContact CB-CE2 3.31Å; L800-Y809 HydrophobicContact CD2-CD2 4.01Å; L800-Y809 HydrophobicContact CD2-CE2 3.69Å; L800-Y809 HydrophobicContact CG-CE2 3.96Å; N803-Y809 HydrophobicContact CB-CD2 4.07Å; N803-Y809 PolarHBondContact OD1-N 2.58Å; L807-Y809 PolarHBondContact O-N 3.48Å; Y809-R811 PolarHBondContact O-N 3.05Å; Y809-N812 VanDerWaalsContact O-CB 3.3Å; Y809-N812 WeakPolarHBondContact O-CB 3.38Å; Y809-N812 PolarHBondContact O-N 3.42Å; Y809-E844 PolarHBondContact OH-OE2 2.94Å; Y809-I847 HydrophobicContact CE1-CG2 4.03Å; Y809-I847 HydrophobicContact CE2-CG2 4Å; Y809-A848 WeakPolarHBondContact OH-CA 3.44Å; Y809-A848 PolarHBondContact OH-N 3.19Å; Y809-V851 HydrophobicContact CD1-CB 4.23Å; Y809-V851 HydrophobicContact CD1-CG1 3.93Å; Y809-V851 HydrophobicContact CD1-CG2 4.32Å; Y809-V851 HydrophobicContact CE1-CB 4.05Å; Y809-V851 HydrophobicContact CE1-CG1 4.22Å; Y809-V851 HydrophobicContact CE1-CG2 4.23Å; Y809-W852 HydrophobicContact CD1-CH2 4.37Å; Y809-W852 AromaticContact CD1-CZ2 3.64Å; Y809-W852 HydrophobicContact CD1-CZ2 3.64Å; Y809-W852 HydrophobicContact CE1-CD2 4.37Å; Y809-W852 AromaticContact CE1-CE2 3.72Å; Y809-W852 AromaticContact CE1-CH2 3.68Å; Y809-W852 HydrophobicContact CE1-CH2 3.68Å; Y809-W852 AromaticContact CE1-CZ2 3.33Å; Y809-W852 HydrophobicContact CE1-CZ2 3.33Å; Y809-W852 HydrophobicContact CE1-CZ3 4.3Å; Y809-W852 AromaticContact CZ-CH2 3.93Å
810	H	91	Very high	92.7	Very high	130 Å²	130	28.7 Å²	28.7	60%	0.602	15%	0.145	S	C	*	.	G	3₁₀ helix	trans	-63.8	-12.2	178.3	71.6	-90.8	0	0	0	114.6	A808	A808-H810 VanDerWaalsContact C-N 3.33Å; A808-H810 PolarHBondContact O-N 3.41Å; A808-H810 VanDerWaalsContact O-N 3.12Å
811	R	92.8	Very high	92.8	Very high	134 Å²	134	28 Å²	28	51%	0.506	14%	0.144	S	C	.	.	G	3₁₀ helix	trans	-104.1	-5.7	176.2	-53.7	-171.9	175	-170.4	-4.9	112.9	R779 L807 A808 Y809	R779-R811 PolarHBondContact NH1-O 2.79Å; L807-R811 HydrophobicContact CD1-CB 3.62Å; L807-R811 HydrophobicContact CG-CB 4.08Å; A808-R811 WeakPolarHBondContact O-CA 3.48Å; A808-R811 WeakPolarHBondContact O-CB 3.24Å; A808-R811 PolarHBondContact O-N 3.49Å; Y809-R811 PolarHBondContact O-N 3.05Å
812	N	96.6	Very high	93	Very high	5 Å²	5	28.2 Å²	28.2	3%	0.027	15%	0.145	C	C	.	.			trans	-57.4	134.7	175	-169.2	-62.8	0	0	0	108.9	M797 N802 A808 Y809 L814 P815 W852	M797-N812 WeakPolarHBondContact CE-OD1 3.28Å; N802-N812 PolarHBondContact OD1-ND2 3.15Å; N802-N812 VanDerWaalsContact OD1-ND2 3.08Å; A808-N812 PolarHBondContact O-N 3.48Å; Y809-N812 VanDerWaalsContact O-CB 3.3Å; Y809-N812 WeakPolarHBondContact O-CB 3.38Å; Y809-N812 PolarHBondContact O-N 3.42Å; N812-L814 VanDerWaalsContact C-N 3.29Å; N812-L814 PolarHBondContact O-N 3.05Å; N812-L814 WeakPolarHBondContact OD1-CB 3.22Å; N812-L814 PolarHBondContact OD1-N 3.41Å; N812-P815 WeakPolarHBondContact O-CD 3.14Å; N812-W852 HydrophobicContact CB-CH2 4.3Å; N812-W852 HydrophobicContact CB-CZ2 3.86Å
813	P	97.3	Very high	93.3	Very high	8 Å²	8	29.4 Å²	29.4	5%	0.052	15%	0.152	C	C	.	.	S	Bend	trans	-82.9	-0.2	-172.6	36	-37.8	0	0	0	114.1	L776 R779 M797 D816 Y817	L776-P813 HydrophobicContact CD2-CG 4.08Å; R779-P813 HydrophobicContact CB-CB 4.16Å; R779-P813 HydrophobicContact CB-CG 4.48Å; M797-P813 HydrophobicContact CE-CG 4.08Å; P813-D816 WeakPolarHBondContact O-CA 3.45Å; P813-D816 WeakPolarHBondContact O-CB 3.31Å; P813-D816 PolarHBondContact O-N 3.24Å; P813-Y817 HydrophobicContact CB-CD1 3.94Å; P813-Y817 HydrophobicContact CB-CE1 3.43Å; P813-Y817 VanDerWaalsContact CB-CE1 3.43Å; P813-Y817 HydrophobicContact CB-CE2 4.44Å; P813-Y817 HydrophobicContact CG-CE1 3.81Å; P813-Y817 HydrophobicContact CG-CE2 3.99Å; P813-Y817 VanDerWaalsContact CG-CZ 3.5Å; P813-Y817 WeakPolarHBondContact CG-OH 3.43Å; P813-Y817 WeakPolarHBondContact O-CD1 3.39Å; P813-Y817 PolarHBondContact O-N 3.19Å
814	L	97.8	Very high	93.6	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-45.2	-52.7	178.1	-168.6	160.7	0	0	0	114.6	M797 P799 N812 D816 Y817 L818 I824 L826 W852 I862	M797-L814 HydrophobicContact CB-CD1 3.89Å; M797-L814 HydrophobicContact CE-CB 3.92Å; M797-L814 HydrophobicContact SD-CB 3.85Å; M797-L814 HydrophobicContact SD-CD1 4.22Å; M797-L814 HydrophobicContact SD-CG 3.92Å; P799-L814 HydrophobicContact CG-CD1 3.73Å; N812-L814 VanDerWaalsContact C-N 3.29Å; N812-L814 PolarHBondContact O-N 3.05Å; N812-L814 WeakPolarHBondContact OD1-CB 3.22Å; N812-L814 PolarHBondContact OD1-N 3.41Å; L814-D816 VanDerWaalsContact C-N 3.28Å; L814-D816 PolarHBondContact O-N 3.12Å; L814-Y817 PolarHBondContact O-N 3.48Å; L814-Y817 VanDerWaalsContact O-N 3.16Å; L814-L818 PolarHBondContact O-N 2.93Å; L814-I824 HydrophobicContact CD1-CD1 4.5Å; L814-I824 HydrophobicContact CD2-CD1 3.46Å; L814-I824 VanDerWaalsContact CD2-CD1 3.46Å; L814-I824 HydrophobicContact CG-CD1 3.61Å; L814-L826 HydrophobicContact CD1-CD2 3.45Å; L814-L826 VanDerWaalsContact CD1-CD2 3.45Å; L814-L826 HydrophobicContact CD1-CG 4.01Å; L814-W852 HydrophobicContact CB-CH2 3.96Å; L814-W852 HydrophobicContact CB-CZ3 4Å; L814-W852 HydrophobicContact CD1-CH2 4.22Å; L814-W852 HydrophobicContact CD1-CZ3 3.92Å; L814-W852 HydrophobicContact CD2-CE3 4.15Å; L814-W852 HydrophobicContact CD2-CZ3 3.74Å; L814-W852 HydrophobicContact CG-CH2 4.47Å; L814-W852 HydrophobicContact CG-CZ3 4.1Å; L814-I862 HydrophobicContact CD2-CD1 4.32Å
815	P	97.4	Very high	94.4	Very high	41 Å²	41	25.8 Å²	25.8	27%	0.266	13%	0.129	S	C	.	.	H	α-helix	trans	-63.5	-30.3	179	24.5	-35.9	0	0	0	113.5	N812 A819 W852	N812-P815 WeakPolarHBondContact O-CD 3.14Å; P815-A819 WeakPolarHBondContact O-CB 3.41Å; P815-A819 PolarHBondContact O-N 3.19Å; P815-W852 HydrophobicContact CB-CB 4.22Å; P815-W852 HydrophobicContact CB-CD2 4.28Å; P815-W852 HydrophobicContact CB-CG 4.1Å; P815-W852 HydrophobicContact CG-CD2 3.87Å; P815-W852 HydrophobicContact CG-CE3 4.46Å; P815-W852 HydrophobicContact CG-CG 3.87Å
816	D	97.6	Very high	95.3	Very high	43 Å²	43	25.7 Å²	25.7	23%	0.23	13%	0.128	C	C	.	.	H	α-helix	trans	-74.6	-37.9	174.1	175.1	58.6	0	0	0	111.7	H448 P813 L814 A819 K820	H448-D816 IonicContact CE1-OD1 3.26Å; H448-D816 IonicContact CG-OD1 3.21Å; H448-D816 IonicContact ND1-OD1 2.8Å; H448-D816 PolarHBondContact ND1-OD1 3.44Å; P813-D816 WeakPolarHBondContact O-CA 3.45Å; P813-D816 WeakPolarHBondContact O-CB 3.31Å; P813-D816 PolarHBondContact O-N 3.24Å; L814-D816 VanDerWaalsContact C-N 3.28Å; L814-D816 PolarHBondContact O-N 3.12Å; D816-A819 PolarHBondContact O-N 2.82Å; D816-K820 VanDerWaalsContact CG-NZ 3.35Å; D816-K820 WeakPolarHBondContact O-CB 3.42Å; D816-K820 WeakPolarHBondContact O-CD 3.47Å; D816-K820 VanDerWaalsContact O-CG 3.3Å; D816-K820 WeakPolarHBondContact O-CG 3.4Å; D816-K820 PolarHBondContact O-N 2.98Å; D816-K820 WeakPolarHBondContact OD1-CE 3.33Å; D816-K820 IonicContact OD1-NZ 2.66Å; D816-K820 PolarHBondContact OD1-NZ 3.13Å; D816-K820 WeakPolarHBondContact OD2-CE 3.41Å; D816-K820 IonicContact OD2-NZ 3.65Å; D816-K820 PolarHBondContact OD2-NZ 3.44Å
817	Y	98.6	Very high	96.2	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-65.4	-41.9	174.8	-70	10	0	0	0	111	G775 L776 L778 R779 I795 M797 P813 L814 K820 G821 L822 I824	G775-Y817 PolarHBondContact O-OH 2.82Å; L776-Y817 PolarHBondContact O-OH 3.37Å; L778-Y817 HydrophobicContact CB-CE2 4.44Å; L778-Y817 WeakPolarHBondContact CB-OH 3.05Å; R779-Y817 HydrophobicContact CB-CE1 4.32Å; R779-Y817 PolarHBondContact N-OH 2.66Å; I795-Y817 HydrophobicContact CD1-CD2 4.45Å; M797-Y817 HydrophobicContact CE-CD2 4.09Å; M797-Y817 HydrophobicContact CE-CE2 4.03Å; M797-Y817 HydrophobicContact SD-CD2 3.74Å; M797-Y817 HydrophobicContact SD-CE2 4.19Å; P813-Y817 HydrophobicContact CB-CD1 3.94Å; P813-Y817 HydrophobicContact CB-CE1 3.43Å; P813-Y817 VanDerWaalsContact CB-CE1 3.43Å; P813-Y817 HydrophobicContact CB-CE2 4.44Å; P813-Y817 HydrophobicContact CG-CE1 3.81Å; P813-Y817 HydrophobicContact CG-CE2 3.99Å; P813-Y817 VanDerWaalsContact CG-CZ 3.5Å; P813-Y817 WeakPolarHBondContact CG-OH 3.43Å; P813-Y817 WeakPolarHBondContact O-CD1 3.39Å; P813-Y817 PolarHBondContact O-N 3.19Å; L814-Y817 PolarHBondContact O-N 3.48Å; L814-Y817 VanDerWaalsContact O-N 3.16Å; Y817-K820 PolarHBondContact O-N 3.03Å; Y817-G821 PolarHBondContact O-N 2.9Å; Y817-L822 HydrophobicContact CD2-CD2 4.29Å; Y817-L822 HydrophobicContact CG-CD2 4.21Å; Y817-L822 PolarHBondContact O-N 2.97Å; Y817-I824 HydrophobicContact CD2-CG2 4.14Å
818	L	98.3	Very high	96.8	Very high	6 Å²	6	22.7 Å²	22.7	3%	0.031	11%	0.114	C	C	.	.	H	α-helix	trans	-59.8	-47.5	171.7	-176.2	67.5	0	0	0	111.3	L814 K820 G821 I824 L854 D858 I862 R910	L814-L818 PolarHBondContact O-N 2.93Å; L818-K820 VanDerWaalsContact C-N 3.27Å; L818-K820 PolarHBondContact O-N 3.01Å; L818-G821 PolarHBondContact O-N 3.24Å; L818-I824 HydrophobicContact CB-CD1 3.83Å; L818-I824 HydrophobicContact CD1-CD1 4.19Å; L818-I824 HydrophobicContact CD1-CG1 4.4Å; L818-L854 HydrophobicContact CD2-CD2 3.94Å; L818-D858 HydrophobicContact CD2-CB 3.93Å; L818-I862 HydrophobicContact CD1-CD1 4.44Å; L818-I862 HydrophobicContact CD1-CG1 4.03Å; L818-I862 HydrophobicContact CD2-CD1 4.27Å; L818-R910 VanDerWaalsContact O-CZ 3.24Å; L818-R910 PolarHBondContact O-NH1 3.25Å; L818-R910 PolarHBondContact O-NH2 3.16Å
819	A	98.1	Very high	97.1	Very high	2 Å²	2	21.4 Å²	21.4	2%	0.017	10%	0.103	C	C	.	.	H	α-helix	trans	-60.3	-39.5	179.2	0	0	0	0	0	111.7	F451 P815 D816 G821 R910	F451-A819 WeakPolarHBondContact CB-O 3.11Å; F451-A819 HydrophobicContact CD1-CB 3.86Å; F451-A819 HydrophobicContact CE1-CB 4.48Å; P815-A819 WeakPolarHBondContact O-CB 3.41Å; P815-A819 PolarHBondContact O-N 3.19Å; D816-A819 PolarHBondContact O-N 2.82Å; A819-G821 VanDerWaalsContact C-N 3.29Å; A819-G821 PolarHBondContact O-N 2.96Å; A819-R910 PolarHBondContact O-NH1 3.13Å
820	K	98.4	Very high	97.2	Very high	17 Å²	17	20.5 Å²	20.5	7%	0.074	10%	0.099	C	C	.	.	H	α-helix	trans	-73	-16	176	-71.6	164	174.9	173.7	0	114.3	L444 H448 Y789 D816 Y817 L818 L822	L444-K820 HydrophobicContact CB-CD 4.36Å; L444-K820 HydrophobicContact CD2-CD 4.13Å; L444-K820 WeakPolarHBondContact O-CE 3.44Å; H448-K820 HydrophobicContact CB-CG 4.05Å; Y789-K820 WeakPolarHBondContact CD2-O 3.41Å; Y789-K820 VanDerWaalsContact CE2-O 3.25Å; Y789-K820 WeakPolarHBondContact CE2-O 3.17Å; D816-K820 VanDerWaalsContact CG-NZ 3.35Å; D816-K820 WeakPolarHBondContact O-CB 3.42Å; D816-K820 WeakPolarHBondContact O-CD 3.47Å; D816-K820 VanDerWaalsContact O-CG 3.3Å; D816-K820 WeakPolarHBondContact O-CG 3.4Å; D816-K820 PolarHBondContact O-N 2.98Å; D816-K820 WeakPolarHBondContact OD1-CE 3.33Å; D816-K820 IonicContact OD1-NZ 2.66Å; D816-K820 PolarHBondContact OD1-NZ 3.13Å; D816-K820 WeakPolarHBondContact OD2-CE 3.41Å; D816-K820 IonicContact OD2-NZ 3.65Å; D816-K820 PolarHBondContact OD2-NZ 3.44Å; Y817-K820 PolarHBondContact O-N 3.03Å; L818-K820 VanDerWaalsContact C-N 3.27Å; L818-K820 PolarHBondContact O-N 3.01Å; K820-L822 HydrophobicContact CB-CD1 3.62Å
821	G	98.5	Very high	97.4	Very high	9 Å²	9	14.3 Å²	14.3	9%	0.093	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.7	28.8	-180	0	0	0	0	0	114.4	Y789 Q792 Y817 L818 A819 R910	Y789-G821 WeakPolarHBondContact CD2-O 3.38Å; Q792-G821 PolarHBondContact NE2-O 3.41Å; Y817-G821 PolarHBondContact O-N 2.9Å; L818-G821 PolarHBondContact O-N 3.24Å; A819-G821 VanDerWaalsContact C-N 3.29Å; A819-G821 PolarHBondContact O-N 2.96Å; G821-R910 VanDerWaalsContact CA-NH1 3.3Å
822	L	98.7	Very high	97.3	Very high	5 Å²	5	8 Å²	8	3%	0.026	5%	0.047	C	C	.	.			trans	-68.7	146.9	166.5	-78.6	78.2	0	0	0	109.6	Q785 I795 Y817 K820 I824	Q785-L822 HydrophobicContact CG-CD1 4.27Å; Q785-L822 HydrophobicContact CG-CD2 4.09Å; I795-L822 HydrophobicContact CD1-CD2 3.78Å; Y817-L822 HydrophobicContact CD2-CD2 4.29Å; Y817-L822 HydrophobicContact CG-CD2 4.21Å; Y817-L822 PolarHBondContact O-N 2.97Å; K820-L822 HydrophobicContact CB-CD1 3.62Å; L822-I824 HydrophobicContact CB-CG2 4.26Å; L822-I824 PolarHBondContact O-N 3.16Å
823	N	98.3	Very high	96.8	Very high	25 Å²	25	7.7 Å²	7.7	13%	0.134	5%	0.046	C	C	.	.			trans	-75.1	75.1	178.6	-177.6	10.3	0	0	0	110.5	Q792 G794 I795 Q869	Q792-N823 HydrophobicContact CB-CB 4.4Å; Q792-N823 WeakPolarHBondContact O-CB 3.06Å; Q792-N823 PolarHBondContact O-ND2 2.74Å; G794-N823 CarbonylContact C-O 3.5Å; G794-N823 WeakPolarHBondContact CA-O 3.35Å; I795-N823 PolarHBondContact N-O 3.12Å; N823-Q869 PolarHBondContact O-NE2 2.96Å; N823-Q869 PolarHBondContact OD1-NE2 3.48Å
824	I	98.6	Very high	96.5	Very high	0 Å²	0	8 Å²	8	0%	0	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	149.3	178.6	59.7	153.9	0	0	0	112.2	I795 M797 L814 Y817 L818 L822 I862 N865	I795-I824 HydrophobicContact CB-CG2 4.35Å; I795-I824 CarbonylContact O-C 3.52Å; I795-I824 WeakPolarHBondContact O-CA 3.49Å; M797-I824 HydrophobicContact SD-CB 4.43Å; M797-I824 HydrophobicContact SD-CG2 3.88Å; L814-I824 HydrophobicContact CD1-CD1 4.5Å; L814-I824 HydrophobicContact CD2-CD1 3.46Å; L814-I824 VanDerWaalsContact CD2-CD1 3.46Å; L814-I824 HydrophobicContact CG-CD1 3.61Å; Y817-I824 HydrophobicContact CD2-CG2 4.14Å; L818-I824 HydrophobicContact CB-CD1 3.83Å; L818-I824 HydrophobicContact CD1-CD1 4.19Å; L818-I824 HydrophobicContact CD1-CG1 4.4Å; L822-I824 HydrophobicContact CB-CG2 4.26Å; L822-I824 PolarHBondContact O-N 3.16Å; I824-I862 HydrophobicContact CD1-CD1 4.34Å; I824-I862 HydrophobicContact CD1-CG1 4.18Å; I824-N865 WeakPolarHBondContact O-CB 3.45Å; I824-N865 PolarHBondContact O-ND2 3.01Å
825	S	98.4	Very high	96.3	Very high	0 Å²	0	8 Å²	8	0%	0	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	157	165.9	56.3	0	0	0	0	110	T482 I795 A796 M797 Q869	T482-S825 PolarHBondContact OG1-OG 3.03Å; T482-S825 VanDerWaalsContact OG1-OG 3.06Å; I795-S825 PolarHBondContact O-N 3.32Å; A796-S825 WeakPolarHBondContact CA-OG 3.25Å; M797-S825 PolarHBondContact N-O 2.93Å; S825-Q869 PolarHBondContact OG-OE1 3.13Å
826	L	98.3	Very high	95.9	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	142	172.2	-89.4	170	0	0	0	110.2	P799 L814 L841 Y845 A848 I862	P799-L826 HydrophobicContact CG-CD2 3.69Å; L814-L826 HydrophobicContact CD1-CD2 3.45Å; L814-L826 VanDerWaalsContact CD1-CD2 3.45Å; L814-L826 HydrophobicContact CD1-CG 4.01Å; L826-L841 WeakPolarHBondContact O-CD1 3.31Å; L826-Y845 HydrophobicContact CB-CD2 4.5Å; L826-Y845 HydrophobicContact CB-CE1 4.34Å; L826-Y845 HydrophobicContact CB-CE2 3.98Å; L826-Y845 HydrophobicContact CD1-CD1 3.63Å; L826-Y845 HydrophobicContact CD1-CD2 4.36Å; L826-Y845 HydrophobicContact CD1-CE1 3.75Å; L826-Y845 HydrophobicContact CD1-CE2 4.43Å; L826-Y845 HydrophobicContact CD1-CG 3.93Å; L826-A848 HydrophobicContact CD1-CB 4.04Å; L826-I862 HydrophobicContact CB-CG2 3.98Å; L826-I862 HydrophobicContact CD1-CG2 4.18Å; L826-I862 HydrophobicContact CG-CG2 3.95Å
827	S	98.3	Very high	95.7	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.07	C	C	.	.			trans	-150.7	161.3	-175.3	49.6	0	0	0	0	112.1	D481 H483 M797 S798	D481-S827 VanDerWaalsContact OD1-CA 3.23Å; D481-S827 WeakPolarHBondContact OD1-CA 3.31Å; D481-S827 WeakPolarHBondContact OD1-CB 3.45Å; H483-S827 WeakPolarHBondContact CB-OG 3.32Å; M797-S827 VanDerWaalsContact C-OG 3.23Å; M797-S827 PolarHBondContact N-OG 2.78Å; M797-S827 PolarHBondContact O-N 3.05Å; M797-S827 PolarHBondContact O-OG 3.33Å; M797-S827 VanDerWaalsContact O-OG 3.07Å; S798-S827 VanDerWaalsContact CA-O 3.29Å; S798-S827 WeakPolarHBondContact CA-O 3.43Å; S798-S827 VanDerWaalsContact CB-O 3.31Å; S798-S827 WeakPolarHBondContact CB-O 3.44Å; S798-S827 PolarHBondContact OG-O 2.66Å; S798-S827 PolarHBondContact OG-OG 3.26Å
828	T	97.9	Very high	95.2	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.092	C	C	.	.			trans	-99.6	-20.9	-170.2	62.7	0	0	0	0	116.1	D481 H483 D830 P831 H835 P840 L841	D481-T828 PolarHBondContact OD1-N 3.49Å; D481-T828 VanDerWaalsContact OD2-CB 3.24Å; D481-T828 WeakPolarHBondContact OD2-CB 3.45Å; D481-T828 WeakPolarHBondContact OD2-CG2 3.36Å; D481-T828 PolarHBondContact OD2-N 2.89Å; D481-T828 PolarHBondContact OD2-OG1 3.48Å; H483-T828 PolarHBondContact O-N 3.45Å; T828-D830 PolarHBondContact O-N 3.42Å; T828-P831 WeakPolarHBondContact OG1-CD 3.32Å; T828-P831 VanDerWaalsContact OG1-CG 3.3Å; T828-P831 WeakPolarHBondContact OG1-CG 3.39Å; T828-H835 PolarHBondContact O-CE1 3.27Å; T828-P840 VanDerWaalsContact CG2-C 3.41Å; T828-P840 HydrophobicContact CG2-CB 3.79Å; T828-P840 HydrophobicContact CG2-CG 4.23Å; T828-L841 VanDerWaalsContact CG2-CA 3.46Å; T828-L841 HydrophobicContact CG2-CB 4.01Å; T828-L841 HydrophobicContact CG2-CD1 4.25Å; T828-L841 VanDerWaalsContact CG2-N 3.29Å
829	D	95.7	Very high	95	Very high	5 Å²	5	22.1 Å²	22.1	3%	0.027	11%	0.107	C	C	.	.	B	Isolated β-bridge	trans	63.4	-86.2	-176	-157.8	10.3	0	0	0	113	H483 V484 H485 H774 S798 S801	H483-D829 IonicContact CE1-OD1 3.69Å; H483-D829 PolarHBondContact CE1-OD1 3.38Å; H483-D829 IonicContact ND1-OD1 3.8Å; H483-D829 WeakPolarHBondContact O-CA 3.49Å; H483-D829 PolarHBondContact O-N 3.33Å; V484-D829 WeakPolarHBondContact CA-O 3.32Å; H485-D829 IonicContact CD2-OD1 3.83Å; H485-D829 PolarHBondContact CD2-OD1 2.92Å; H485-D829 VanDerWaalsContact CD2-OD1 3.23Å; H485-D829 PolarHBondContact N-O 3Å; H774-D829 IonicContact CE1-OD2 2.89Å; H774-D829 PolarHBondContact CE1-OD2 3.27Å; S798-D829 PolarHBondContact OG-N 3.12Å; S801-D829 WeakPolarHBondContact CB-OD2 3.38Å; S801-D829 PolarHBondContact OG-OD2 3.1Å
830	D	94.4	Very high	94.9	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.114	C	C	.	.			trans	-123.3	87.6	175.8	-62.2	-74.9	0	0	0	111.7	H485 S488 F555 Y559 T828 L832 Q833 F834	H485-D830 IonicContact CD2-OD1 3.61Å; S488-D830 WeakPolarHBondContact CB-OD1 3.47Å; S488-D830 PolarHBondContact OG-OD1 2.96Å; F555-D830 WeakPolarHBondContact CE2-OD2 3.47Å; F555-D830 WeakPolarHBondContact CZ-OD2 3.47Å; Y559-D830 PolarHBondContact OH-OD1 3.37Å; T828-D830 PolarHBondContact O-N 3.42Å; D830-L832 PolarHBondContact O-N 3.21Å; D830-L832 VanDerWaalsContact O-N 3.13Å; D830-Q833 HydrophobicContact CB-CB 3.9Å; D830-Q833 HydrophobicContact CB-CG 3.93Å; D830-Q833 PolarHBondContact O-N 2.95Å; D830-F834 HydrophobicContact CB-CD2 3.78Å; D830-F834 HydrophobicContact CB-CE2 3.76Å; D830-F834 VanDerWaalsContact O-CD2 3.31Å; D830-F834 WeakPolarHBondContact O-CD2 3.12Å; D830-F834 PolarHBondContact O-N 2.8Å
831	P	95.1	Very high	94.8	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.006	11%	0.112	C	C	.	.	H	α-helix	trans	-46.1	-39.8	168.1	-31.8	36.6	0	0	0	113.9	V484 S488 S489 T828 Q833 H835 P840	V484-P831 HydrophobicContact CG2-CG 4.11Å; S488-P831 WeakPolarHBondContact O-CB 3.41Å; S488-P831 VanDerWaalsContact O-CD 3.26Å; S488-P831 WeakPolarHBondContact O-CD 3.2Å; S489-P831 WeakPolarHBondContact O-CB 3.11Å; T828-P831 WeakPolarHBondContact OG1-CD 3.32Å; T828-P831 VanDerWaalsContact OG1-CG 3.3Å; T828-P831 WeakPolarHBondContact OG1-CG 3.39Å; P831-Q833 VanDerWaalsContact C-N 3.29Å; P831-Q833 PolarHBondContact O-N 3.35Å; P831-H835 HydrophobicContact CB-CB 4.49Å; P831-H835 WeakPolarHBondContact O-CB 3.35Å; P831-H835 PolarHBondContact O-N 3.4Å; P831-H835 VanDerWaalsContact O-N 3.11Å; P831-P840 HydrophobicContact CB-CB 3.84Å; P831-P840 HydrophobicContact CB-CG 3.87Å; P831-P840 HydrophobicContact CG-CB 3.91Å; P831-P840 HydrophobicContact CG-CG 3.77Å
832	L	90.9	Very high	94.8	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-61.1	-33.6	177.7	-172.8	62.4	0	0	0	113.3	S488 M490 Q492 L495 V542 M572 D830	S488-L832 WeakPolarHBondContact O-CB 3.49Å; S488-L832 PolarHBondContact O-N 2.86Å; M490-L832 WeakPolarHBondContact O-CA 3.24Å; M490-L832 VanDerWaalsContact O-CB 3.24Å; M490-L832 WeakPolarHBondContact O-CB 3.37Å; M490-L832 WeakPolarHBondContact O-CD1 3.4Å; M490-L832 PolarHBondContact O-N 2.87Å; Q492-L832 HydrophobicContact CB-CD1 4.45Å; Q492-L832 HydrophobicContact CG-CD1 4.02Å; Q492-L832 WeakPolarHBondContact CG-O 3.32Å; Q492-L832 PolarHBondContact NE2-O 2.72Å; L495-L832 HydrophobicContact CB-CD1 4.1Å; L495-L832 HydrophobicContact CD2-CD1 3.75Å; L495-L832 HydrophobicContact CD2-CD2 4.03Å; V542-L832 HydrophobicContact CB-CD2 4.44Å; V542-L832 HydrophobicContact CB-CG 4.21Å; V542-L832 HydrophobicContact CG1-CD2 4.46Å; V542-L832 HydrophobicContact CG2-CD1 4.04Å; V542-L832 HydrophobicContact CG2-CG 4.22Å; M572-L832 HydrophobicContact CE-CD2 3.42Å; M572-L832 VanDerWaalsContact CE-CD2 3.42Å; M572-L832 HydrophobicContact SD-CD2 4.34Å; D830-L832 PolarHBondContact O-N 3.21Å; D830-L832 VanDerWaalsContact O-N 3.13Å
833	Q	86.1	Confident	94.7	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-99	-22.6	-173.8	-59.5	-159.2	45	0	0	113.7	H543 A544 K558 Y559 D830 P831	H543-Q833 PolarHBondContact CE1-O 2.88Å; H543-Q833 PolarHBondContact ND1-O 3.23Å; A544-Q833 HydrophobicContact CB-CB 4.28Å; A544-Q833 PolarHBondContact N-O 3.34Å; A544-Q833 VanDerWaalsContact N-O 3.09Å; K558-Q833 VanDerWaalsContact CB-OE1 3.31Å; Y559-Q833 VanDerWaalsContact CE2-NE2 3.26Å; D830-Q833 HydrophobicContact CB-CB 3.9Å; D830-Q833 HydrophobicContact CB-CG 3.93Å; D830-Q833 PolarHBondContact O-N 2.95Å; P831-Q833 VanDerWaalsContact C-N 3.29Å; P831-Q833 PolarHBondContact O-N 3.35Å
834	F	90.3	Very high	94.6	Very high	13 Å²	13	22.7 Å²	22.7	6%	0.057	11%	0.109	C	C	.	.	H	α-helix	trans	-126.5	-12.2	-167.3	-54.4	-62.1	0	0	0	115.8	A544 F555 L800 S801 L805 D830	A544-F834 HydrophobicContact CB-CD1 3.8Å; A544-F834 HydrophobicContact CB-CE1 3.34Å; A544-F834 HydrophobicContact CB-CZ 4.2Å; F555-F834 HydrophobicContact CD2-CZ 4.1Å; F555-F834 AromaticContact CE2-CE2 3.97Å; F555-F834 HydrophobicContact CE2-CE2 3.97Å; F555-F834 AromaticContact CE2-CZ 3.7Å; F555-F834 HydrophobicContact CE2-CZ 3.7Å; L800-F834 HydrophobicContact CB-CB 4.22Å; S801-F834 VanDerWaalsContact OG-CE2 3.3Å; S801-F834 WeakPolarHBondContact OG-CE2 3.21Å; L805-F834 HydrophobicContact CD1-CZ 4.14Å; L805-F834 HydrophobicContact CD2-CZ 4.46Å; L805-F834 HydrophobicContact CG-CE1 4.46Å; L805-F834 HydrophobicContact CG-CZ 4.07Å; D830-F834 HydrophobicContact CB-CD2 3.78Å; D830-F834 HydrophobicContact CB-CE2 3.76Å; D830-F834 VanDerWaalsContact O-CD2 3.31Å; D830-F834 WeakPolarHBondContact O-CD2 3.12Å; D830-F834 PolarHBondContact O-N 2.8Å
835	H	93.7	Very high	94.6	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	11%	0.109	C	C	.	.			trans	-122.6	143.6	-169.5	-63.1	73.3	0	0	0	113	T828 P831 P840 E843 E844	T828-H835 PolarHBondContact O-CE1 3.27Å; P831-H835 HydrophobicContact CB-CB 4.49Å; P831-H835 WeakPolarHBondContact O-CB 3.35Å; P831-H835 PolarHBondContact O-N 3.4Å; P831-H835 VanDerWaalsContact O-N 3.11Å; H835-P840 HydrophobicContact CB-CB 3.8Å; H835-P840 VanDerWaalsContact CD2-CB 3.46Å; H835-P840 WeakPolarHBondContact CD2-CB 3.31Å; H835-P840 PolarHBondContact CD2-O 3.01Å; H835-P840 PolarHBondContact NE2-O 3.38Å; H835-E843 WeakPolarHBondContact CB-OE2 3.22Å; H835-E843 IonicContact CD2-OE2 3.39Å; H835-E844 WeakPolarHBondContact NE2-CG 3.41Å
836	F	90.4	Very high	94.5	Very high	148 Å²	148	25.6 Å²	25.6	65%	0.649	13%	0.129	S	C	*	.			trans	-105.8	-21.1	-177.9	-62.6	-79.8	0	0	0	113.9	H543 E843	H543-F836 AromaticContact CD2-CE1 3.79Å; H543-F836 AromaticContact CD2-CZ 3.99Å; H543-F836 AromaticContact CE1-CZ 3.94Å; H543-F836 AromaticContact NE2-CE1 3.22Å; H543-F836 WeakPolarHBondContact NE2-CE1 3.4Å; H543-F836 AromaticContact NE2-CE2 3.88Å; H543-F836 AromaticContact NE2-CZ 3.05Å; H543-F836 WeakPolarHBondContact NE2-CZ 3.29Å; F836-E843 PolarHBondContact N-OE1 3.15Å; F836-E843 PolarHBondContact N-OE2 3.02Å; F836-E843 VanDerWaalsContact N-OE2 3.07Å
837	T	91.7	Very high	94.5	Very high	58 Å²	58	28.3 Å²	28.3	36%	0.356	14%	0.143	S	C	.	.	S	Bend	trans	-91.7	168.4	-172.2	69	0	0	0	0	113.3	N491 E839 E843	N491-T837 PolarHBondContact ND2-O 2.91Å; T837-E839 PolarHBondContact OG1-N 3.47Å; T837-E839 PolarHBondContact OG1-O 2.94Å; T837-E843 VanDerWaalsContact CB-OE2 3.26Å; T837-E843 WeakPolarHBondContact CB-OE2 3.49Å; T837-E843 HydrophobicContact CG2-CB 4.13Å; T837-E843 HydrophobicContact CG2-CG 4.2Å; T837-E843 VanDerWaalsContact CG2-OE2 3.3Å; T837-E843 WeakPolarHBondContact CG2-OE2 3.49Å; T837-E843 PolarHBondContact N-OE2 3Å; T837-E843 WeakPolarHBondContact OG1-CB 3.32Å; T837-E843 PolarHBondContact OG1-OE2 3.3Å
838	K	88.8	Confident	94.4	Very high	103 Å²	103	28.3 Å²	28.3	45%	0.448	14%	0.143	S	C	.	.	S	Bend	trans	-69	-23.9	172.2	-165.4	-169	172.8	-171.6	0	112.1	D593 E596 P840	D593-K838 VanDerWaalsContact CG-NZ 3.28Å; D593-K838 WeakPolarHBondContact OD1-CE 3.2Å; D593-K838 IonicContact OD1-NZ 3.13Å; D593-K838 PolarHBondContact OD1-NZ 2.89Å; D593-K838 WeakPolarHBondContact OD2-CE 3.14Å; D593-K838 IonicContact OD2-NZ 3.76Å; E596-K838 IonicContact OE2-NZ 3.87Å; E596-K838 PolarHBondContact OE2-NZ 3.12Å; K838-P840 VanDerWaalsContact O-CD 3.31Å; K838-P840 WeakPolarHBondContact O-CD 3.24Å
839	E	93.8	Very high	94.3	Very high	78 Å²	78	29 Å²	29	36%	0.364	15%	0.149	S	C	.	.			trans	-121.3	73.5	-171.5	-62.4	-179.9	97.8	0	0	109.5	S597 Q600 T837 L841 M842 E843	S597-E839 PolarHBondContact OG-OE1 3Å; S597-E839 VanDerWaalsContact OG-OE1 3.06Å; Q600-E839 PolarHBondContact NE2-OE1 3.42Å; T837-E839 PolarHBondContact OG1-N 3.47Å; T837-E839 PolarHBondContact OG1-O 2.94Å; E839-L841 VanDerWaalsContact C-N 3.28Å; E839-L841 PolarHBondContact O-N 3.24Å; E839-M842 HydrophobicContact CB-CB 3.98Å; E839-M842 HydrophobicContact CB-CG 4.19Å; E839-M842 WeakPolarHBondContact O-CA 3.28Å; E839-M842 WeakPolarHBondContact O-CB 3.32Å; E839-M842 PolarHBondContact O-N 3.4Å; E839-E843 PolarHBondContact O-N 3.18Å
840	P	96.2	Very high	94.3	Very high	25 Å²	25	35.1 Å²	35.1	16%	0.162	18%	0.177	C	C	.	.	H	α-helix	trans	-60.2	-36.1	-166.8	25.1	-36.1	0	0	0	112.6	T828 P831 H835 K838 M842 E843 E844	T828-P840 VanDerWaalsContact CG2-C 3.41Å; T828-P840 HydrophobicContact CG2-CB 3.79Å; T828-P840 HydrophobicContact CG2-CG 4.23Å; P831-P840 HydrophobicContact CB-CB 3.84Å; P831-P840 HydrophobicContact CB-CG 3.87Å; P831-P840 HydrophobicContact CG-CB 3.91Å; P831-P840 HydrophobicContact CG-CG 3.77Å; H835-P840 HydrophobicContact CB-CB 3.8Å; H835-P840 VanDerWaalsContact CD2-CB 3.46Å; H835-P840 WeakPolarHBondContact CD2-CB 3.31Å; H835-P840 PolarHBondContact CD2-O 3.01Å; H835-P840 PolarHBondContact NE2-O 3.38Å; K838-P840 VanDerWaalsContact O-CD 3.31Å; K838-P840 WeakPolarHBondContact O-CD 3.24Å; P840-M842 VanDerWaalsContact C-N 3.33Å; P840-M842 PolarHBondContact O-N 2.93Å; P840-E843 WeakPolarHBondContact O-CB 3.05Å; P840-E843 PolarHBondContact O-N 3.29Å; P840-E844 PolarHBondContact O-N 3.03Å
841	L	97.4	Very high	94.4	Very high	6 Å²	6	38.6 Å²	38.6	3%	0.031	20%	0.198	C	C	.	.	H	α-helix	trans	-62.9	-41.1	176	-173.8	66.2	0	0	0	111.5	K479 D481 L826 T828 E839 E843 E844 Y845	K479-L841 HydrophobicContact CB-CD2 3.85Å; D481-L841 HydrophobicContact CB-CD1 4.12Å; D481-L841 HydrophobicContact CB-CD2 4.1Å; L826-L841 WeakPolarHBondContact O-CD1 3.31Å; T828-L841 VanDerWaalsContact CG2-CA 3.46Å; T828-L841 HydrophobicContact CG2-CB 4.01Å; T828-L841 HydrophobicContact CG2-CD1 4.25Å; T828-L841 VanDerWaalsContact CG2-N 3.29Å; E839-L841 VanDerWaalsContact C-N 3.28Å; E839-L841 PolarHBondContact O-N 3.24Å; L841-E843 VanDerWaalsContact C-N 3.3Å; L841-E843 PolarHBondContact O-N 2.89Å; L841-E844 PolarHBondContact O-N 2.96Å; L841-Y845 HydrophobicContact CD1-CD2 4.31Å; L841-Y845 HydrophobicContact CD1-CE2 3.94Å; L841-Y845 HydrophobicContact CD2-CE2 4.33Å; L841-Y845 HydrophobicContact CG-CD2 4.07Å; L841-Y845 HydrophobicContact CG-CE2 3.89Å; L841-Y845 VanDerWaalsContact O-CD2 3.28Å; L841-Y845 WeakPolarHBondContact O-CD2 3.47Å; L841-Y845 PolarHBondContact O-N 2.71Å; L841-Y845 VanDerWaalsContact O-N 3.09Å
842	M	96.8	Very high	94.4	Very high	18 Å²	18	40.5 Å²	40.5	9%	0.089	21%	0.205	C	C	.	.	H	α-helix	trans	-69.1	-28.8	177.2	-66.9	-64.8	-64	0	0	112.3	F474 Y475 K479 Q600 E839 P840 S846	F474-M842 HydrophobicContact CD1-CE 4.28Å; F474-M842 HydrophobicContact CE1-CE 3.55Å; F474-M842 HydrophobicContact CE1-SD 4.1Å; F474-M842 HydrophobicContact CZ-CE 4.25Å; F474-M842 HydrophobicContact CZ-SD 4.2Å; Y475-M842 HydrophobicContact CD1-CE 3.75Å; Y475-M842 HydrophobicContact CE1-CE 3.71Å; K479-M842 HydrophobicContact CD-SD 3.66Å; Q600-M842 HydrophobicContact CG-CG 4.43Å; E839-M842 HydrophobicContact CB-CB 3.98Å; E839-M842 HydrophobicContact CB-CG 4.19Å; E839-M842 WeakPolarHBondContact O-CA 3.28Å; E839-M842 WeakPolarHBondContact O-CB 3.32Å; E839-M842 PolarHBondContact O-N 3.4Å; P840-M842 VanDerWaalsContact C-N 3.33Å; P840-M842 PolarHBondContact O-N 2.93Å; M842-S846 VanDerWaalsContact O-CB 3.22Å; M842-S846 WeakPolarHBondContact O-CB 3.33Å; M842-S846 PolarHBondContact O-N 3.47Å; M842-S846 PolarHBondContact O-OG 3.17Å
843	E	97.1	Very high	94.6	Very high	20 Å²	20	47.7 Å²	47.7	9%	0.093	24%	0.237	C	C	.	.	H	α-helix	trans	-65.5	-44.7	170.9	173.9	172.3	-166.6	0	0	111.7	L800 H835 F836 T837 E839 P840 L841 S846 I847	L800-E843 HydrophobicContact CD1-CG 4.49Å; H835-E843 WeakPolarHBondContact CB-OE2 3.22Å; H835-E843 IonicContact CD2-OE2 3.39Å; F836-E843 PolarHBondContact N-OE1 3.15Å; F836-E843 PolarHBondContact N-OE2 3.02Å; F836-E843 VanDerWaalsContact N-OE2 3.07Å; T837-E843 VanDerWaalsContact CB-OE2 3.26Å; T837-E843 WeakPolarHBondContact CB-OE2 3.49Å; T837-E843 HydrophobicContact CG2-CB 4.13Å; T837-E843 HydrophobicContact CG2-CG 4.2Å; T837-E843 VanDerWaalsContact CG2-OE2 3.3Å; T837-E843 WeakPolarHBondContact CG2-OE2 3.49Å; T837-E843 PolarHBondContact N-OE2 3Å; T837-E843 WeakPolarHBondContact OG1-CB 3.32Å; T837-E843 PolarHBondContact OG1-OE2 3.3Å; E839-E843 PolarHBondContact O-N 3.18Å; P840-E843 WeakPolarHBondContact O-CB 3.05Å; P840-E843 PolarHBondContact O-N 3.29Å; L841-E843 VanDerWaalsContact C-N 3.3Å; L841-E843 PolarHBondContact O-N 2.89Å; E843-S846 PolarHBondContact O-N 3.47Å; E843-I847 HydrophobicContact CG-CD1 3.88Å; E843-I847 WeakPolarHBondContact O-CG1 3.43Å; E843-I847 PolarHBondContact O-N 3.05Å
844	E	97.5	Very high	95.1	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-58.2	-52.3	171.6	-92.3	-73.6	-161.6	0	0	112.5	P799 L800 Y809 H835 P840 L841 S846 I847 A848	P799-E844 VanDerWaalsContact CD-OE1 3.24Å; P799-E844 WeakPolarHBondContact CD-OE1 3.46Å; P799-E844 VanDerWaalsContact N-OE1 3.11Å; L800-E844 WeakPolarHBondContact CB-OE1 3.36Å; L800-E844 HydrophobicContact CD1-CG 3.96Å; L800-E844 HydrophobicContact CG-CG 4.31Å; L800-E844 WeakPolarHBondContact CG-OE1 3.37Å; L800-E844 PolarHBondContact N-OE1 3.36Å; Y809-E844 PolarHBondContact OH-OE2 2.94Å; H835-E844 WeakPolarHBondContact NE2-CG 3.41Å; P840-E844 PolarHBondContact O-N 3.03Å; L841-E844 PolarHBondContact O-N 2.96Å; E844-S846 VanDerWaalsContact C-N 3.27Å; E844-S846 PolarHBondContact O-N 3.29Å; E844-I847 PolarHBondContact O-N 3.13Å; E844-A848 WeakPolarHBondContact O-CB 3.18Å; E844-A848 PolarHBondContact O-N 3.45Å
845	Y	97.9	Very high	95.4	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.008	25%	0.248	C	C	.	.	H	α-helix	trans	-57.7	-40.8	176.8	-84	-83.2	0	0	0	112.1	F474 K479 L826 L841 A849 M859 I862 S863	F474-Y845 HydrophobicContact CE1-CG 4.48Å; F474-Y845 AromaticContact CE2-CD1 3.66Å; F474-Y845 HydrophobicContact CE2-CD1 3.66Å; F474-Y845 AromaticContact CE2-CE1 3.94Å; F474-Y845 HydrophobicContact CE2-CE1 3.94Å; F474-Y845 HydrophobicContact CE2-CG 4.04Å; F474-Y845 AromaticContact CZ-CD1 3.54Å; F474-Y845 HydrophobicContact CZ-CD1 3.54Å; F474-Y845 HydrophobicContact CZ-CD2 4.04Å; F474-Y845 HydrophobicContact CZ-CE1 4.22Å; F474-Y845 AromaticContact CZ-CG 3.46Å; F474-Y845 HydrophobicContact CZ-CG 3.46Å; F474-Y845 VanDerWaalsContact CZ-CG 3.46Å; K479-Y845 HydrophobicContact CD-CD2 4.5Å; K479-Y845 HydrophobicContact CD-CE2 4.34Å; L826-Y845 HydrophobicContact CB-CD2 4.5Å; L826-Y845 HydrophobicContact CB-CE1 4.34Å; L826-Y845 HydrophobicContact CB-CE2 3.98Å; L826-Y845 HydrophobicContact CD1-CD1 3.63Å; L826-Y845 HydrophobicContact CD1-CD2 4.36Å; L826-Y845 HydrophobicContact CD1-CE1 3.75Å; L826-Y845 HydrophobicContact CD1-CE2 4.43Å; L826-Y845 HydrophobicContact CD1-CG 3.93Å; L841-Y845 HydrophobicContact CD1-CD2 4.31Å; L841-Y845 HydrophobicContact CD1-CE2 3.94Å; L841-Y845 HydrophobicContact CD2-CE2 4.33Å; L841-Y845 HydrophobicContact CG-CD2 4.07Å; L841-Y845 HydrophobicContact CG-CE2 3.89Å; L841-Y845 VanDerWaalsContact O-CD2 3.28Å; L841-Y845 WeakPolarHBondContact O-CD2 3.47Å; L841-Y845 PolarHBondContact O-N 2.71Å; L841-Y845 VanDerWaalsContact O-N 3.09Å; Y845-A849 WeakPolarHBondContact O-CB 3.42Å; Y845-A849 PolarHBondContact O-N 3.33Å; Y845-M859 HydrophobicContact CD1-CB 4.38Å; Y845-M859 HydrophobicContact CD1-CG 4.5Å; Y845-I862 HydrophobicContact CE1-CB 4.12Å; Y845-I862 HydrophobicContact CE1-CG2 3.92Å; Y845-S863 WeakPolarHBondContact OH-CA 3.42Å; Y845-S863 PolarHBondContact OH-N 2.96Å; Y845-S863 PolarHBondContact OH-OG 3.11Å
846	S	96.9	Very high	95.4	Very high	60 Å²	60	52 Å²	52	42%	0.42	26%	0.262	S	S	.	.	H	α-helix	trans	-66.1	-44.1	-180	-62.7	0	0	0	0	112.1	M842 E843 E844 Q850	M842-S846 VanDerWaalsContact O-CB 3.22Å; M842-S846 WeakPolarHBondContact O-CB 3.33Å; M842-S846 PolarHBondContact O-N 3.47Å; M842-S846 PolarHBondContact O-OG 3.17Å; E843-S846 PolarHBondContact O-N 3.47Å; E844-S846 VanDerWaalsContact C-N 3.27Å; E844-S846 PolarHBondContact O-N 3.29Å; S846-Q850 WeakPolarHBondContact O-CB 3.35Å; S846-Q850 VanDerWaalsContact O-CG 3.3Å; S846-Q850 WeakPolarHBondContact O-CG 3.4Å; S846-Q850 PolarHBondContact O-N 3.36Å
847	I	96.7	Very high	95.7	Very high	57 Å²	57	45 Å²	45	29%	0.292	23%	0.232	S	C	.	.	H	α-helix	trans	-70.7	-44.4	179.2	-65.9	170.6	0	0	0	110.1	L800 Y809 E843 E844 A849 Q850 V851	L800-I847 HydrophobicContact CD1-CD1 4.09Å; L800-I847 HydrophobicContact CD2-CD1 4.04Å; Y809-I847 HydrophobicContact CE1-CG2 4.03Å; Y809-I847 HydrophobicContact CE2-CG2 4Å; E843-I847 HydrophobicContact CG-CD1 3.88Å; E843-I847 WeakPolarHBondContact O-CG1 3.43Å; E843-I847 PolarHBondContact O-N 3.05Å; E844-I847 PolarHBondContact O-N 3.13Å; I847-A849 VanDerWaalsContact C-N 3.34Å; I847-A849 PolarHBondContact O-N 2.93Å; I847-Q850 PolarHBondContact O-N 2.81Å; I847-V851 HydrophobicContact CG2-CG2 4.02Å; I847-V851 WeakPolarHBondContact O-CB 3.39Å; I847-V851 WeakPolarHBondContact O-CG2 3.47Å; I847-V851 PolarHBondContact O-N 3.4Å
848	A	97	Very high	96	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-56.8	-46.7	175.9	0	0	0	0	0	111.7	Y809 L826 E844 W852 L854	Y809-A848 WeakPolarHBondContact OH-CA 3.44Å; Y809-A848 PolarHBondContact OH-N 3.19Å; L826-A848 HydrophobicContact CD1-CB 4.04Å; E844-A848 WeakPolarHBondContact O-CB 3.18Å; E844-A848 PolarHBondContact O-N 3.45Å; A848-W852 HydrophobicContact CB-CE3 3.72Å; A848-W852 HydrophobicContact CB-CZ3 3.6Å; A848-W852 WeakPolarHBondContact O-CB 3.37Å; A848-W852 PolarHBondContact O-N 2.04Å; A848-L854 HydrophobicContact CB-CD1 4Å
849	A	95.9	Very high	96.4	Very high	14 Å²	14	39.3 Å²	39.3	12%	0.116	20%	0.203	C	C	.	.	H	α-helix	trans	-63	-42.6	177	0	0	0	0	0	112.6	Y845 I847 K853 L854 M859	Y845-A849 WeakPolarHBondContact O-CB 3.42Å; Y845-A849 PolarHBondContact O-N 3.33Å; I847-A849 VanDerWaalsContact C-N 3.34Å; I847-A849 PolarHBondContact O-N 2.93Å; A849-K853 WeakPolarHBondContact O-CA 3.35Å; A849-K853 PolarHBondContact O-N 2.88Å; A849-L854 HydrophobicContact CB-CB 4.38Å; A849-L854 PolarHBondContact O-N 3.27Å; A849-M859 HydrophobicContact CB-CG 4.4Å; A849-M859 HydrophobicContact CB-SD 3.62Å
850	Q	95.6	Very high	96.6	Very high	133 Å²	133	35.6 Å²	35.6	62%	0.621	19%	0.186	S	C	*	.	H	α-helix	trans	-73.3	-35.5	-179.8	-69.2	-58.7	-23.4	0	0	113.6	S846 I847 K853	S846-Q850 WeakPolarHBondContact O-CB 3.35Å; S846-Q850 VanDerWaalsContact O-CG 3.3Å; S846-Q850 WeakPolarHBondContact O-CG 3.4Å; S846-Q850 PolarHBondContact O-N 3.36Å; I847-Q850 PolarHBondContact O-N 2.81Å; Q850-K853 WeakPolarHBondContact O-CE 3.49Å; Q850-K853 PolarHBondContact O-NZ 3.34Å
851	V	95.7	Very high	96.7	Very high	74 Å²	74	35.2 Å²	35.2	45%	0.448	18%	0.182	S	C	.	.	H	α-helix	trans	-81.6	-44.2	-178.1	178.5	0	0	0	0	111.8	Y809 I847	Y809-V851 HydrophobicContact CD1-CB 4.23Å; Y809-V851 HydrophobicContact CD1-CG1 3.93Å; Y809-V851 HydrophobicContact CD1-CG2 4.32Å; Y809-V851 HydrophobicContact CE1-CB 4.05Å; Y809-V851 HydrophobicContact CE1-CG1 4.22Å; Y809-V851 HydrophobicContact CE1-CG2 4.23Å; I847-V851 HydrophobicContact CG2-CG2 4.02Å; I847-V851 WeakPolarHBondContact O-CB 3.39Å; I847-V851 WeakPolarHBondContact O-CG2 3.47Å; I847-V851 PolarHBondContact O-N 3.4Å
852	W	96.6	Very high	96.8	Very high	40 Å²	40	34.9 Å²	34.9	15%	0.152	18%	0.181	C	C	.	.	H	α-helix	trans	-99	-0.4	-177	-55.6	-41.6	0	0	0	114.6	P799 Y809 N812 L814 P815 A848 L854	P799-W852 HydrophobicContact CB-CH2 3.75Å; P799-W852 HydrophobicContact CB-CZ2 4.46Å; P799-W852 HydrophobicContact CG-CH2 3.59Å; P799-W852 HydrophobicContact CG-CZ3 4.17Å; Y809-W852 HydrophobicContact CD1-CH2 4.37Å; Y809-W852 AromaticContact CD1-CZ2 3.64Å; Y809-W852 HydrophobicContact CD1-CZ2 3.64Å; Y809-W852 HydrophobicContact CE1-CD2 4.37Å; Y809-W852 AromaticContact CE1-CE2 3.72Å; Y809-W852 AromaticContact CE1-CH2 3.68Å; Y809-W852 HydrophobicContact CE1-CH2 3.68Å; Y809-W852 AromaticContact CE1-CZ2 3.33Å; Y809-W852 HydrophobicContact CE1-CZ2 3.33Å; Y809-W852 HydrophobicContact CE1-CZ3 4.3Å; Y809-W852 AromaticContact CZ-CH2 3.93Å; N812-W852 HydrophobicContact CB-CH2 4.3Å; N812-W852 HydrophobicContact CB-CZ2 3.86Å; L814-W852 HydrophobicContact CB-CH2 3.96Å; L814-W852 HydrophobicContact CB-CZ3 4Å; L814-W852 HydrophobicContact CD1-CH2 4.22Å; L814-W852 HydrophobicContact CD1-CZ3 3.92Å; L814-W852 HydrophobicContact CD2-CE3 4.15Å; L814-W852 HydrophobicContact CD2-CZ3 3.74Å; L814-W852 HydrophobicContact CG-CH2 4.47Å; L814-W852 HydrophobicContact CG-CZ3 4.1Å; P815-W852 HydrophobicContact CB-CB 4.22Å; P815-W852 HydrophobicContact CB-CD2 4.28Å; P815-W852 HydrophobicContact CB-CG 4.1Å; P815-W852 HydrophobicContact CG-CD2 3.87Å; P815-W852 HydrophobicContact CG-CE3 4.46Å; P815-W852 HydrophobicContact CG-CG 3.87Å; A848-W852 HydrophobicContact CB-CE3 3.72Å; A848-W852 HydrophobicContact CB-CZ3 3.6Å; A848-W852 WeakPolarHBondContact O-CB 3.37Å; A848-W852 PolarHBondContact O-N 2.04Å; W852-L854 VanDerWaalsContact C-N 3.31Å; W852-L854 HydrophobicContact CB-CD2 4.16Å; W852-L854 HydrophobicContact CB-CG 4.29Å; W852-L854 HydrophobicContact CE3-CD1 4.38Å; W852-L854 PolarHBondContact O-N 3.28Å
853	K	95.4	Very high	96.8	Very high	152 Å²	152	34.1 Å²	34.1	66%	0.661	18%	0.177	S	C	*	.			trans	58.5	40.6	-179.3	-52.4	-51.6	-176.7	-165	0	112.9	A849 Q850 S855	A849-K853 WeakPolarHBondContact O-CA 3.35Å; A849-K853 PolarHBondContact O-N 2.88Å; Q850-K853 WeakPolarHBondContact O-CE 3.49Å; Q850-K853 PolarHBondContact O-NZ 3.34Å; K853-S855 PolarHBondContact O-N 3.29Å
854	L	96.1	Very high	96.9	Very high	20 Å²	20	34.8 Å²	34.8	11%	0.105	18%	0.179	C	C	.	.			trans	-60.7	131.1	173.8	-55.3	-177.8	0	0	0	109.9	L818 A848 A849 W852 D858 M859 I862	L818-L854 HydrophobicContact CD2-CD2 3.94Å; A848-L854 HydrophobicContact CB-CD1 4Å; A849-L854 HydrophobicContact CB-CB 4.38Å; A849-L854 PolarHBondContact O-N 3.27Å; W852-L854 VanDerWaalsContact C-N 3.31Å; W852-L854 HydrophobicContact CB-CD2 4.16Å; W852-L854 HydrophobicContact CB-CG 4.29Å; W852-L854 HydrophobicContact CE3-CD1 4.38Å; W852-L854 PolarHBondContact O-N 3.28Å; L854-D858 HydrophobicContact CB-CB 3.97Å; L854-D858 HydrophobicContact CD2-CB 4.38Å; L854-M859 HydrophobicContact CB-CG 4.26Å; L854-I862 HydrophobicContact CD1-CD1 3.98Å
855	S	95.5	Very high	96.9	Very high	28 Å²	28	35.6 Å²	35.6	20%	0.196	18%	0.183	C	C	.	.			trans	-71.5	168.2	172.9	68.2	0	0	0	0	111.5	K853 S857 D858 M859	K853-S855 PolarHBondContact O-N 3.29Å; S855-S857 VanDerWaalsContact C-N 3.25Å; S855-S857 PolarHBondContact O-N 2.85Å; S855-S857 PolarHBondContact OG-N 3.42Å; S855-D858 WeakPolarHBondContact CB-OD2 3.4Å; S855-D858 PolarHBondContact N-OD2 3.33Å; S855-D858 WeakPolarHBondContact O-CB 3.22Å; S855-D858 PolarHBondContact O-N 3.19Å; S855-D858 VanDerWaalsContact O-N 3.14Å; S855-D858 PolarHBondContact OG-N 2.95Å; S855-D858 VanDerWaalsContact OG-N 3.11Å; S855-D858 PolarHBondContact OG-OD1 2.77Å; S855-D858 PolarHBondContact OG-OD2 3.32Å; S855-M859 PolarHBondContact O-N 2.98Å
856	N	95.1	Very high	96.9	Very high	55 Å²	55	35.5 Å²	35.5	29%	0.294	18%	0.183	S	C	.	.	H	α-helix	trans	-62.7	-34.2	172.4	-170.8	69.5	0	0	0	111.8	Q466 F474 M859 C860 N901	Q466-N856 PolarHBondContact NE2-ND2 2.98Å; Q466-N856 PolarHBondContact OE1-ND2 3.08Å; F474-N856 VanDerWaalsContact CB-OD1 3.29Å; F474-N856 WeakPolarHBondContact CB-OD1 3.32Å; N856-M859 HydrophobicContact CB-CE 4.44Å; N856-C860 WeakPolarHBondContact O-CB 3.43Å; N856-C860 PolarHBondContact O-N 2.74Å; N856-C860 PolarHBondContact O-SG 2.95Å; N856-N901 PolarHBondContact ND2-ND2 3.28Å
857	S	96.6	Very high	96.9	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.007	16%	0.163	C	C	.	.	H	α-helix	trans	-60	-43.4	170.5	-59.3	0	0	0	0	112.3	E462 S855 C860 E861	E462-S857 WeakPolarHBondContact OE2-CB 3.37Å; E462-S857 PolarHBondContact OE2-OG 2.88Å; S855-S857 VanDerWaalsContact C-N 3.25Å; S855-S857 PolarHBondContact O-N 2.85Å; S855-S857 PolarHBondContact OG-N 3.42Å; S857-C860 PolarHBondContact O-N 3.35Å; S857-E861 WeakPolarHBondContact O-CB 3.23Å; S857-E861 PolarHBondContact O-N 3.43Å
858	D	97.9	Very high	96.8	Very high	15 Å²	15	32 Å²	32	8%	0.08	16%	0.159	C	C	.	.	H	α-helix	trans	-65.6	-46.5	-179.8	-59.7	-36.9	0	0	0	111.8	L818 L854 S855 C860 E861 I862 R906	L818-D858 HydrophobicContact CD2-CB 3.93Å; L854-D858 HydrophobicContact CB-CB 3.97Å; L854-D858 HydrophobicContact CD2-CB 4.38Å; S855-D858 WeakPolarHBondContact CB-OD2 3.4Å; S855-D858 PolarHBondContact N-OD2 3.33Å; S855-D858 WeakPolarHBondContact O-CB 3.22Å; S855-D858 PolarHBondContact O-N 3.19Å; S855-D858 VanDerWaalsContact O-N 3.14Å; S855-D858 PolarHBondContact OG-N 2.95Å; S855-D858 VanDerWaalsContact OG-N 3.11Å; S855-D858 PolarHBondContact OG-OD1 2.77Å; S855-D858 PolarHBondContact OG-OD2 3.32Å; D858-C860 VanDerWaalsContact C-N 3.3Å; D858-C860 PolarHBondContact O-N 2.85Å; D858-E861 PolarHBondContact O-N 2.78Å; D858-I862 VanDerWaalsContact O-CG1 3.31Å; D858-I862 WeakPolarHBondContact O-CG1 3.31Å; D858-I862 PolarHBondContact O-N 3.36Å; D858-R906 IonicContact OD1-CZ 2.7Å; D858-R906 VanDerWaalsContact OD1-CZ 3.28Å; D858-R906 IonicContact OD1-NH1 2.95Å; D858-R906 PolarHBondContact OD1-NH1 3.01Å; D858-R906 IonicContact OD1-NH2 2.93Å; D858-R906 PolarHBondContact OD1-NH2 2.91Å
859	M	97.8	Very high	96.8	Very high	27 Å²	27	32.6 Å²	32.6	13%	0.133	16%	0.162	C	C	.	.	H	α-helix	trans	-62.5	-38.5	176.9	-65.3	-171.9	-67.8	0	0	111.9	F474 Y845 A849 L854 S855 N856 S863	F474-M859 HydrophobicContact CB-CE 4.39Å; F474-M859 HydrophobicContact CD1-CE 4.36Å; F474-M859 HydrophobicContact CD1-SD 4.29Å; F474-M859 HydrophobicContact CD2-CB 3.59Å; F474-M859 HydrophobicContact CE1-SD 4.32Å; F474-M859 HydrophobicContact CE2-CB 3.74Å; F474-M859 HydrophobicContact CG-CB 4.24Å; F474-M859 HydrophobicContact CG-CE 4.22Å; F474-M859 HydrophobicContact CG-SD 4.41Å; F474-M859 HydrophobicContact CZ-CB 4.48Å; F474-M859 HydrophobicContact CZ-SD 4.48Å; Y845-M859 HydrophobicContact CD1-CB 4.38Å; Y845-M859 HydrophobicContact CD1-CG 4.5Å; A849-M859 HydrophobicContact CB-CG 4.4Å; A849-M859 HydrophobicContact CB-SD 3.62Å; L854-M859 HydrophobicContact CB-CG 4.26Å; S855-M859 PolarHBondContact O-N 2.98Å; N856-M859 HydrophobicContact CB-CE 4.44Å; M859-S863 WeakPolarHBondContact O-CB 3.36Å; M859-S863 PolarHBondContact O-N 3.15Å; M859-S863 PolarHBondContact O-OG 3.15Å
860	C	97.8	Very high	96.8	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-68.9	-38.1	175.4	-63.2	0	0	0	0	112.1	I477 N856 S857 D858 S863 R864 V902	I477-C860 HydrophobicContact CD1-CB 3.76Å; I477-C860 VanDerWaalsContact CD1-SG 3.57Å; N856-C860 WeakPolarHBondContact O-CB 3.43Å; N856-C860 PolarHBondContact O-N 2.74Å; N856-C860 PolarHBondContact O-SG 2.95Å; S857-C860 PolarHBondContact O-N 3.35Å; D858-C860 VanDerWaalsContact C-N 3.3Å; D858-C860 PolarHBondContact O-N 2.85Å; C860-S863 PolarHBondContact O-N 2.89Å; C860-R864 WeakPolarHBondContact O-CB 3.21Å; C860-R864 PolarHBondContact O-N 3.17Å; C860-V902 VanDerWaalsContact C-CG2 3.45Å; C860-V902 HydrophobicContact CB-CG2 3.91Å; C860-V902 WeakPolarHBondContact O-CG2 3.48Å
861	E	98.2	Very high	96.7	Very high	17 Å²	17	26.9 Å²	26.9	8%	0.079	14%	0.14	C	C	.	.	H	α-helix	trans	-62.3	-49.5	175.6	179.4	171	-151.1	0	0	111.4	S857 D858 S863 R864 N865 V902 R906 R910	S857-E861 WeakPolarHBondContact O-CB 3.23Å; S857-E861 PolarHBondContact O-N 3.43Å; D858-E861 PolarHBondContact O-N 2.78Å; E861-S863 VanDerWaalsContact C-N 3.3Å; E861-S863 PolarHBondContact O-N 3.37Å; E861-R864 PolarHBondContact O-N 3.46Å; E861-N865 PolarHBondContact O-N 3.38Å; E861-N865 PolarHBondContact O-OD1 2.94Å; E861-V902 HydrophobicContact CB-CG1 4.46Å; E861-R906 IonicContact OE2-CZ 3.02Å; E861-R906 IonicContact OE2-NH1 2.69Å; E861-R906 PolarHBondContact OE2-NH1 2.93Å; E861-R910 WeakPolarHBondContact OE1-CG 3.43Å; E861-R910 IonicContact OE1-CZ 3.59Å; E861-R910 IonicContact OE1-NE 2.72Å; E861-R910 PolarHBondContact OE1-NE 3.35Å; E861-R910 IonicContact OE1-NH2 3.9Å; E861-R910 PolarHBondContact OE1-NH2 2.94Å; E861-R910 IonicContact OE2-CZ 3.29Å; E861-R910 IonicContact OE2-NE 2.82Å; E861-R910 PolarHBondContact OE2-NE 3.37Å; E861-R910 IonicContact OE2-NH2 2.74Å; E861-R910 PolarHBondContact OE2-NH2 3.48Å
862	I	98.6	Very high	96.6	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-61.1	-39.9	176.5	-62.1	166.3	0	0	0	110.8	L814 L818 I824 L826 Y845 L854 D858 N865 G866	L814-I862 HydrophobicContact CD2-CD1 4.32Å; L818-I862 HydrophobicContact CD1-CD1 4.44Å; L818-I862 HydrophobicContact CD1-CG1 4.03Å; L818-I862 HydrophobicContact CD2-CD1 4.27Å; I824-I862 HydrophobicContact CD1-CD1 4.34Å; I824-I862 HydrophobicContact CD1-CG1 4.18Å; L826-I862 HydrophobicContact CB-CG2 3.98Å; L826-I862 HydrophobicContact CD1-CG2 4.18Å; L826-I862 HydrophobicContact CG-CG2 3.95Å; Y845-I862 HydrophobicContact CE1-CB 4.12Å; Y845-I862 HydrophobicContact CE1-CG2 3.92Å; L854-I862 HydrophobicContact CD1-CD1 3.98Å; D858-I862 VanDerWaalsContact O-CG1 3.31Å; D858-I862 WeakPolarHBondContact O-CG1 3.31Å; D858-I862 PolarHBondContact O-N 3.36Å; I862-N865 PolarHBondContact O-N 3.35Å; I862-G866 PolarHBondContact O-N 3.45Å
863	S	98	Very high	95.9	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.007	12%	0.119	C	C	.	.	H	α-helix	trans	-64.1	-46.4	176.8	-60.7	0	0	0	0	112.4	F474 Y845 M859 C860 E861 N865 G866 V867	F474-S863 WeakPolarHBondContact CE2-OG 3.14Å; Y845-S863 WeakPolarHBondContact OH-CA 3.42Å; Y845-S863 PolarHBondContact OH-N 2.96Å; Y845-S863 PolarHBondContact OH-OG 3.11Å; M859-S863 WeakPolarHBondContact O-CB 3.36Å; M859-S863 PolarHBondContact O-N 3.15Å; M859-S863 PolarHBondContact O-OG 3.15Å; C860-S863 PolarHBondContact O-N 2.89Å; E861-S863 VanDerWaalsContact C-N 3.3Å; E861-S863 PolarHBondContact O-N 3.37Å; S863-N865 VanDerWaalsContact C-N 3.28Å; S863-N865 PolarHBondContact O-N 3.34Å; S863-G866 PolarHBondContact O-N 3.01Å; S863-V867 PolarHBondContact O-N 3.05Å; S863-V867 VanDerWaalsContact O-N 3.07Å
864	R	97.4	Very high	94.9	Very high	35 Å²	35	19.3 Å²	19.3	13%	0.132	11%	0.105	C	C	.	.	H	α-helix	trans	-58	-42.4	175.1	-177.6	-178.2	-179.8	-83.6	-3.5	110.8	C860 E861 V867 L868 L883 G894 N895 T900 V902	C860-R864 WeakPolarHBondContact O-CB 3.21Å; C860-R864 PolarHBondContact O-N 3.17Å; E861-R864 PolarHBondContact O-N 3.46Å; R864-V867 PolarHBondContact O-N 3.41Å; R864-L868 HydrophobicContact CG-CD1 4.27Å; R864-L868 WeakPolarHBondContact O-CG 3.16Å; R864-L868 PolarHBondContact O-N 2.91Å; R864-L883 HydrophobicContact CG-CD2 4.02Å; R864-G894 PolarHBondContact NH2-O 3.07Å; R864-N895 PolarHBondContact NE-OD1 3.36Å; R864-T900 HydrophobicContact CG-CG2 4.09Å; R864-V902 HydrophobicContact CB-CG2 3.93Å; R864-V902 HydrophobicContact CG-CG2 4.47Å
865	N	97.9	Very high	93.1	Very high	17 Å²	17	25.6 Å²	25.6	9%	0.091	13%	0.134	C	C	.	.	H	α-helix	trans	-64.4	-42.3	177.1	-68.3	-9	0	0	0	112.1	I824 E861 I862 S863 V867 L868 Q869	I824-N865 WeakPolarHBondContact O-CB 3.45Å; I824-N865 PolarHBondContact O-ND2 3.01Å; E861-N865 PolarHBondContact O-N 3.38Å; E861-N865 PolarHBondContact O-OD1 2.94Å; I862-N865 PolarHBondContact O-N 3.35Å; S863-N865 VanDerWaalsContact C-N 3.28Å; S863-N865 PolarHBondContact O-N 3.34Å; N865-V867 PolarHBondContact O-N 3.17Å; N865-L868 PolarHBondContact O-N 3.04Å; N865-Q869 WeakPolarHBondContact O-CB 3.46Å; N865-Q869 VanDerWaalsContact O-CG 3.22Å; N865-Q869 WeakPolarHBondContact O-CG 3.34Å; N865-Q869 PolarHBondContact O-N 3.48Å
866	G	97.8	Very high	91.4	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-57.9	-44.7	173.2	0	0	0	0	0	112.6	T482 I862 S863 L868 Q869 S870	T482-G866 WeakPolarHBondContact CG2-O 3.4Å; I862-G866 PolarHBondContact O-N 3.45Å; S863-G866 PolarHBondContact O-N 3.01Å; G866-L868 PolarHBondContact O-N 2.04Å; G866-Q869 PolarHBondContact O-N 3.38Å; G866-S870 WeakPolarHBondContact O-CB 3.39Å; G866-S870 PolarHBondContact O-N 2.96Å
867	V	96.9	Very high	90.2	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.006	14%	0.14	C	C	.	.	H	α-helix	trans	-62.2	-43.1	174.2	-179	0	0	0	0	111.6	R478 V480 S863 R864 N865 S870 K879 W882 L883	R478-V867 HydrophobicContact CB-CG2 4.24Å; R478-V867 WeakPolarHBondContact O-CG2 3.47Å; V480-V867 HydrophobicContact CG2-CB 4.46Å; V480-V867 HydrophobicContact CG2-CG2 4.05Å; S863-V867 PolarHBondContact O-N 3.05Å; S863-V867 VanDerWaalsContact O-N 3.07Å; R864-V867 PolarHBondContact O-N 3.41Å; N865-V867 PolarHBondContact O-N 3.17Å; V867-S870 PolarHBondContact O-N 3.29Å; V867-S870 PolarHBondContact O-OG 3.38Å; V867-K879 HydrophobicContact CG1-CG 4.45Å; V867-K879 WeakPolarHBondContact O-CE 3.5Å; V867-K879 PolarHBondContact O-NZ 3.38Å; V867-W882 HydrophobicContact CG1-CB 4.47Å; V867-W882 HydrophobicContact CG1-CE3 3.79Å; V867-W882 HydrophobicContact CG1-CZ3 4.49Å; V867-L883 HydrophobicContact CB-CD1 4.45Å; V867-L883 HydrophobicContact CB-CD2 4.07Å; V867-L883 HydrophobicContact CB-CG 4.48Å; V867-L883 HydrophobicContact CG1-CD1 3.82Å; V867-L883 HydrophobicContact CG1-CD2 3.88Å; V867-L883 HydrophobicContact CG1-CG 3.78Å
868	L	95.6	Very high	89.7	Confident	41 Å²	41	28 Å²	28	22%	0.215	14%	0.141	C	C	.	.	H	α-helix	trans	-62.1	-47.5	177.9	-76.7	169.6	0	0	0	112.4	R864 N865 G866 S870 K879 L883 Y887	R864-L868 HydrophobicContact CG-CD1 4.27Å; R864-L868 WeakPolarHBondContact O-CG 3.16Å; R864-L868 PolarHBondContact O-N 2.91Å; N865-L868 PolarHBondContact O-N 3.04Å; G866-L868 PolarHBondContact O-N 2.04Å; L868-S870 VanDerWaalsContact C-N 3.27Å; L868-S870 PolarHBondContact O-N 3.04Å; L868-K879 PolarHBondContact O-NZ 2.86Å; L868-L883 HydrophobicContact CD2-CD1 3.55Å; L868-L883 HydrophobicContact CG-CD1 3.9Å; L868-Y887 HydrophobicContact CD2-CD2 3.73Å; L868-Y887 HydrophobicContact CD2-CE2 4.16Å
869	Q	96.1	Very high	89.4	Confident	14 Å²	14	27.7 Å²	27.7	7%	0.065	14%	0.139	C	C	.	.	H	α-helix	trans	-68.2	-21.8	-179.7	-69	171.1	31.9	0	0	113.8	T482 N823 S825 N865 G866	T482-Q869 HydrophobicContact CG2-CB 4.3Å; N823-Q869 PolarHBondContact O-NE2 2.96Å; N823-Q869 PolarHBondContact OD1-NE2 3.48Å; S825-Q869 PolarHBondContact OG-OE1 3.13Å; N865-Q869 WeakPolarHBondContact O-CB 3.46Å; N865-Q869 VanDerWaalsContact O-CG 3.22Å; N865-Q869 WeakPolarHBondContact O-CG 3.34Å; N865-Q869 PolarHBondContact O-N 3.48Å; G866-Q869 PolarHBondContact O-N 3.38Å
870	S	96.2	Very high	88.9	Confident	2 Å²	2	27 Å²	27	1%	0.014	14%	0.136	C	C	.	.	S	Bend	trans	-69.5	158.7	-177.2	73.7	0	0	0	0	114.3	E603 G866 V867 L868 F872 K879	E603-S870 VanDerWaalsContact OE2-CA 3.29Å; E603-S870 WeakPolarHBondContact OE2-CA 3.4Å; G866-S870 WeakPolarHBondContact O-CB 3.39Å; G866-S870 PolarHBondContact O-N 2.96Å; V867-S870 PolarHBondContact O-N 3.29Å; V867-S870 PolarHBondContact O-OG 3.38Å; L868-S870 VanDerWaalsContact C-N 3.27Å; L868-S870 PolarHBondContact O-N 3.04Å; S870-F872 VanDerWaalsContact C-N 3.3Å; S870-F872 PolarHBondContact O-N 3.31Å; S870-K879 VanDerWaalsContact O-CE 3.24Å; S870-K879 WeakPolarHBondContact O-CE 3.47Å; S870-K879 PolarHBondContact O-NZ 2.83Å
871	G	93.9	Very high	88.5	Confident	25 Å²	25	27.3 Å²	27.3	26%	0.258	14%	0.138	S	C	.	.			trans	-84	11.2	174.6	0	0	0	0	0	115.3	E603 V687	E603-G871 WeakPolarHBondContact OE1-CA 3.5Å; E603-G871 PolarHBondContact OE1-N 3.18Å; V687-G871 VanDerWaalsContact CG1-O 3.28Å; V687-G871 WeakPolarHBondContact CG1-O 3.42Å
872	F	93	Very high	88.2	Confident	4 Å²	4	26.9 Å²	26.9	2%	0.018	14%	0.136	C	C	.	.			trans	-63.8	138.1	179.8	-78.4	-89.4	0	0	0	111.7	V480 H601 E603 H631 H632 R634 S870 M878 K879 W882	V480-F872 HydrophobicContact CG1-CD2 4.26Å; V480-F872 HydrophobicContact CG1-CE2 3.82Å; V480-F872 HydrophobicContact CG2-CD2 4.21Å; V480-F872 HydrophobicContact CG2-CE2 4.26Å; H601-F872 HydrophobicContact CB-CE2 4.12Å; H601-F872 HydrophobicContact CB-CZ 3.95Å; E603-F872 HydrophobicContact CG-CE2 4.08Å; H631-F872 WeakPolarHBondContact O-CE1 3.27Å; H632-F872 WeakPolarHBondContact O-CZ 3.46Å; R634-F872 HydrophobicContact CB-CZ 4.38Å; R634-F872 HydrophobicContact CG-CD1 3.9Å; R634-F872 HydrophobicContact CG-CD2 4.39Å; R634-F872 HydrophobicContact CG-CE1 3.72Å; R634-F872 HydrophobicContact CG-CE2 4.21Å; R634-F872 HydrophobicContact CG-CG 4.24Å; R634-F872 HydrophobicContact CG-CZ 3.88Å; S870-F872 VanDerWaalsContact C-N 3.3Å; S870-F872 PolarHBondContact O-N 3.31Å; F872-M878 HydrophobicContact CD1-SD 4.11Å; F872-K879 WeakPolarHBondContact O-CE 3.45Å; F872-W882 HydrophobicContact CB-CH2 4.06Å; F872-W882 HydrophobicContact CB-CZ3 3.74Å; F872-W882 AromaticContact CD1-CH2 3.58Å; F872-W882 HydrophobicContact CD1-CH2 3.58Å; F872-W882 HydrophobicContact CD1-CZ3 4.09Å; F872-W882 HydrophobicContact CD2-CH2 4.36Å; F872-W882 HydrophobicContact CD2-CZ3 4.18Å; F872-W882 HydrophobicContact CE1-CH2 4.11Å; F872-W882 AromaticContact CG-CH2 3.73Å; F872-W882 HydrophobicContact CG-CH2 3.73Å; F872-W882 AromaticContact CG-CZ3 3.73Å; F872-W882 HydrophobicContact CG-CZ3 3.73Å
873	P	81.9	Confident	87.8	Confident	21 Å²	21	27.1 Å²	27.1	14%	0.136	14%	0.137	C	C	.	.			trans	-66.8	143.9	-164.3	25.3	-35.2	0	0	0	113.4	V876 M878	P873-V876 HydrophobicContact CB-CG2 4.2Å; P873-V876 HydrophobicContact CG-CB 4.2Å; P873-V876 HydrophobicContact CG-CG2 4.09Å; P873-M878 HydrophobicContact CG-CG 4.2Å; P873-M878 HydrophobicContact CG-SD 3.9Å; P873-M878 PolarHBondContact O-N 3.14Å
874	H	75.8	Confident	87.4	Confident	81 Å²	81	27.1 Å²	27.1	38%	0.375	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-38.1	167.8	-178.6	89.8	0	0	0	110.9	V876 R877 Y887	H874-V876 PolarHBondContact O-N 3.05Å; H874-R877 VanDerWaalsContact O-CA 3.22Å; H874-R877 WeakPolarHBondContact O-CA 3.36Å; H874-R877 PolarHBondContact O-N 2.78Å; H874-Y887 AromaticContact CE1-CE1 3.82Å; H874-Y887 AromaticContact ND1-CE1 3.39Å; H874-Y887 WeakPolarHBondContact ND1-CE1 3.35Å; H874-Y887 AromaticContact ND1-CZ 3.51Å; H874-Y887 PolarHBondContact ND1-OH 3.25Å
875	E	56.6	Low	86.8	Confident	152 Å²	152	27.2 Å²	27.2	71%	0.71	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-42.7	-170.1	-53.4	89.1	159.4	0	0	111.8	R877	E875-R877 PolarHBondContact O-N 3.36Å; E875-R877 VanDerWaalsContact O-N 3.15Å
876	V	59.7	Low	86.4	Confident	56 Å²	56	28 Å²	28	34%	0.339	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	17.6	172.5	-154	0	0	0	0	111.7	M371 P873 H874 M878	M371-V876 HydrophobicContact CB-CG1 4.43Å; P873-V876 HydrophobicContact CB-CG2 4.2Å; P873-V876 HydrophobicContact CG-CB 4.2Å; P873-V876 HydrophobicContact CG-CG2 4.09Å; H874-V876 PolarHBondContact O-N 3.05Å; V876-M878 PolarHBondContact O-N 3.08Å
877	R	71.1	Confident	86.1	Confident	71 Å²	71	28.9 Å²	28.9	27%	0.268	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	15.3	175.1	-60.6	-174.4	-175.4	132.3	11.1	116.1	H874 E875 K879 V880 H881 V960	H874-R877 VanDerWaalsContact O-CA 3.22Å; H874-R877 WeakPolarHBondContact O-CA 3.36Å; H874-R877 PolarHBondContact O-N 2.78Å; E875-R877 PolarHBondContact O-N 3.36Å; E875-R877 VanDerWaalsContact O-N 3.15Å; R877-K879 PolarHBondContact O-N 3.19Å; R877-V880 HydrophobicContact CB-CB 4.03Å; R877-V880 HydrophobicContact CB-CG1 4.29Å; R877-V880 CarbonylContact O-C 3.47Å; R877-V880 WeakPolarHBondContact O-CA 3.28Å; R877-V880 WeakPolarHBondContact O-CB 3.45Å; R877-V880 PolarHBondContact O-N 2.97Å; R877-V880 VanDerWaalsContact O-N 3.09Å; R877-H881 PolarHBondContact O-CD2 3.01Å; R877-H881 PolarHBondContact O-N 3.31Å; R877-V960 PolarHBondContact NH2-O 3.27Å; R877-V960 VanDerWaalsContact NH2-O 3.12Å
878	M	85.3	Confident	85.7	Confident	8 Å²	8	34.1 Å²	34.1	4%	0.039	18%	0.177	C	C	.	.	H	α-helix	trans	-57.9	-53.9	-177.5	-65	-171.2	105.9	0	0	111.5	P367 L372 H631 F872 P873 V876 V880 H881 W882	P367-M878 HydrophobicContact CG-CG 4.41Å; L372-M878 HydrophobicContact CD2-CE 4.2Å; H631-M878 HydrophobicContact CB-CE 4.33Å; F872-M878 HydrophobicContact CD1-SD 4.11Å; P873-M878 HydrophobicContact CG-CG 4.2Å; P873-M878 HydrophobicContact CG-SD 3.9Å; P873-M878 PolarHBondContact O-N 3.14Å; V876-M878 PolarHBondContact O-N 3.08Å; M878-V880 VanDerWaalsContact C-N 3.3Å; M878-V880 PolarHBondContact O-N 3.34Å; M878-H881 PolarHBondContact O-N 2.87Å; M878-W882 HydrophobicContact CB-CH2 4.14Å; M878-W882 HydrophobicContact CB-CZ2 3.99Å; M878-W882 HydrophobicContact CB-CZ3 4.46Å; M878-W882 HydrophobicContact CE-CH2 4.39Å; M878-W882 HydrophobicContact CE-CZ2 3.94Å; M878-W882 VanDerWaalsContact O-CD1 3.3Å; M878-W882 VanDerWaalsContact O-CD2 3.29Å; M878-W882 PolarHBondContact O-N 3.42Å; M878-W882 HydrophobicContact SD-CZ2 4.47Å
879	K	91.1	Very high	85.4	Confident	9 Å²	9	36.1 Å²	36.1	4%	0.039	19%	0.185	C	C	.	.	H	α-helix	trans	-61.2	-36.2	174.5	-71.1	-170.1	178.5	-174.4	0	113	V867 L868 S870 F872 R877 W882 L883 Y887	V867-K879 HydrophobicContact CG1-CG 4.45Å; V867-K879 WeakPolarHBondContact O-CE 3.5Å; V867-K879 PolarHBondContact O-NZ 3.38Å; L868-K879 PolarHBondContact O-NZ 2.86Å; S870-K879 VanDerWaalsContact O-CE 3.24Å; S870-K879 WeakPolarHBondContact O-CE 3.47Å; S870-K879 PolarHBondContact O-NZ 2.83Å; F872-K879 WeakPolarHBondContact O-CE 3.45Å; R877-K879 PolarHBondContact O-N 3.19Å; K879-W882 PolarHBondContact O-N 3.32Å; K879-L883 WeakPolarHBondContact O-CB 3.34Å; K879-L883 PolarHBondContact O-N 2.62Å; K879-Y887 HydrophobicContact CB-CD1 4.41Å; K879-Y887 HydrophobicContact CB-CE1 3.71Å; K879-Y887 HydrophobicContact CB-CE2 4.28Å; K879-Y887 HydrophobicContact CD-CE2 4.12Å
880	V	89.1	Confident	85.1	Confident	11 Å²	11	36.6 Å²	36.6	7%	0.067	19%	0.19	C	C	.	.	H	α-helix	trans	-60.8	-44.1	175	160.7	0	0	0	0	111.7	V363 R877 M878 W882 G884 P885 Y887	V363-V880 HydrophobicContact CG1-CG1 3.91Å; R877-V880 HydrophobicContact CB-CB 4.03Å; R877-V880 HydrophobicContact CB-CG1 4.29Å; R877-V880 CarbonylContact O-C 3.47Å; R877-V880 WeakPolarHBondContact O-CA 3.28Å; R877-V880 WeakPolarHBondContact O-CB 3.45Å; R877-V880 PolarHBondContact O-N 2.97Å; R877-V880 VanDerWaalsContact O-N 3.09Å; M878-V880 VanDerWaalsContact C-N 3.3Å; M878-V880 PolarHBondContact O-N 3.34Å; V880-W882 VanDerWaalsContact C-N 3.34Å; V880-W882 PolarHBondContact O-N 2.99Å; V880-G884 CarbonylContact O-C 3.56Å; V880-G884 VanDerWaalsContact O-C 3.23Å; V880-G884 VanDerWaalsContact O-CA 3.24Å; V880-G884 WeakPolarHBondContact O-CA 3.44Å; V880-G884 PolarHBondContact O-N 2.71Å; V880-P885 HydrophobicContact CG1-CB 4.47Å; V880-Y887 HydrophobicContact CG2-CD1 4.12Å; V880-Y887 HydrophobicContact CG2-CE1 3.85Å
881	H	88	Confident	84.8	Confident	7 Å²	7	37.1 Å²	37.1	3%	0.032	20%	0.195	C	C	.	.	H	α-helix	trans	-66.2	-35.4	175.4	-72.1	-68.2	0	0	0	112.2	G364 H366 P367 R877 M878 R899	G364-H881 PolarHBondContact O-ND1 3.02Å; H366-H881 PolarHBondContact O-ND1 3.17Å; P367-H881 HydrophobicContact CG-CB 4.06Å; R877-H881 PolarHBondContact O-CD2 3.01Å; R877-H881 PolarHBondContact O-N 3.31Å; M878-H881 PolarHBondContact O-N 2.87Å; H881-R899 PolarHBondContact O-NH1 2.86Å
882	W	91.4	Very high	84.6	Confident	9 Å²	9	36.4 Å²	36.4	3%	0.034	19%	0.186	C	C	.	.	H	α-helix	trans	-87.2	-26.5	-174.6	-56.3	-15.3	0	0	0	115.5	R478 H601 V867 F872 M878 K879 V880 R899	R478-W882 HydrophobicContact CB-CB 4.28Å; R478-W882 HydrophobicContact CB-CD2 4.43Å; R478-W882 HydrophobicContact CB-CG 4.24Å; R478-W882 HydrophobicContact CG-CB 4.1Å; R478-W882 HydrophobicContact CG-CD2 4.19Å; R478-W882 HydrophobicContact CG-CG 3.77Å; H601-W882 AromaticContact CD2-CH2 3.4Å; H601-W882 WeakPolarHBondContact CD2-CH2 3.27Å; H601-W882 AromaticContact CD2-CZ2 3.59Å; H601-W882 AromaticContact CE1-CZ2 3.91Å; H601-W882 AromaticContact NE2-CH2 3.56Å; H601-W882 AromaticContact NE2-CZ2 3.2Å; H601-W882 WeakPolarHBondContact NE2-CZ2 3.3Å; V867-W882 HydrophobicContact CG1-CB 4.47Å; V867-W882 HydrophobicContact CG1-CE3 3.79Å; V867-W882 HydrophobicContact CG1-CZ3 4.49Å; F872-W882 HydrophobicContact CB-CH2 4.06Å; F872-W882 HydrophobicContact CB-CZ3 3.74Å; F872-W882 AromaticContact CD1-CH2 3.58Å; F872-W882 HydrophobicContact CD1-CH2 3.58Å; F872-W882 HydrophobicContact CD1-CZ3 4.09Å; F872-W882 HydrophobicContact CD2-CH2 4.36Å; F872-W882 HydrophobicContact CD2-CZ3 4.18Å; F872-W882 HydrophobicContact CE1-CH2 4.11Å; F872-W882 AromaticContact CG-CH2 3.73Å; F872-W882 HydrophobicContact CG-CH2 3.73Å; F872-W882 AromaticContact CG-CZ3 3.73Å; F872-W882 HydrophobicContact CG-CZ3 3.73Å; M878-W882 HydrophobicContact CB-CH2 4.14Å; M878-W882 HydrophobicContact CB-CZ2 3.99Å; M878-W882 HydrophobicContact CB-CZ3 4.46Å; M878-W882 HydrophobicContact CE-CH2 4.39Å; M878-W882 HydrophobicContact CE-CZ2 3.94Å; M878-W882 VanDerWaalsContact O-CD1 3.3Å; M878-W882 VanDerWaalsContact O-CD2 3.29Å; M878-W882 PolarHBondContact O-N 3.42Å; M878-W882 HydrophobicContact SD-CZ2 4.47Å; K879-W882 PolarHBondContact O-N 3.32Å; V880-W882 VanDerWaalsContact C-N 3.34Å; V880-W882 PolarHBondContact O-N 2.99Å; W882-R899 WeakPolarHBondContact O-CB 3.37Å
883	L	91.9	Very high	84.4	Confident	4 Å²	4	39 Å²	39	2%	0.021	20%	0.203	C	C	.	.	H	α-helix	trans	-120.1	-20.5	-174.9	-61.9	-179.1	0	0	0	113.8	R864 V867 L868 K879 Y887 D896 T900	R864-L883 HydrophobicContact CG-CD2 4.02Å; V867-L883 HydrophobicContact CB-CD1 4.45Å; V867-L883 HydrophobicContact CB-CD2 4.07Å; V867-L883 HydrophobicContact CB-CG 4.48Å; V867-L883 HydrophobicContact CG1-CD1 3.82Å; V867-L883 HydrophobicContact CG1-CD2 3.88Å; V867-L883 HydrophobicContact CG1-CG 3.78Å; L868-L883 HydrophobicContact CD2-CD1 3.55Å; L868-L883 HydrophobicContact CG-CD1 3.9Å; K879-L883 WeakPolarHBondContact O-CB 3.34Å; K879-L883 PolarHBondContact O-N 2.62Å; L883-Y887 HydrophobicContact CB-CD1 4.46Å; L883-Y887 HydrophobicContact CB-CG 3.95Å; L883-Y887 HydrophobicContact CD1-CD2 3.69Å; L883-Y887 HydrophobicContact CD1-CE2 4.31Å; L883-Y887 HydrophobicContact CD1-CG 3.95Å; L883-D896 WeakPolarHBondContact O-CB 3.5Å; L883-T900 HydrophobicContact CD2-CG2 3.91Å
884	G	88.8	Confident	84.7	Confident	2 Å²	2	38 Å²	38	2%	0.021	20%	0.197	C	C	.	.			trans	115.1	158.1	-176.5	0	0	0	0	0	112.5	V880 N886 Y887 R899	V880-G884 CarbonylContact O-C 3.56Å; V880-G884 VanDerWaalsContact O-C 3.23Å; V880-G884 VanDerWaalsContact O-CA 3.24Å; V880-G884 WeakPolarHBondContact O-CA 3.44Å; V880-G884 PolarHBondContact O-N 2.71Å; G884-N886 PolarHBondContact O-N 2.8Å; G884-Y887 WeakPolarHBondContact O-CD1 3.36Å; G884-Y887 PolarHBondContact O-N 2.84Å; G884-R899 VanDerWaalsContact CA-CD 3.45Å; G884-R899 VanDerWaalsContact N-CD 3.28Å
885	P	85.8	Confident	85.5	Confident	36 Å²	36	34.5 Å²	34.5	23%	0.234	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-30.7	-177.7	24.4	-33.7	0	0	0	113.6	V880	V880-P885 HydrophobicContact CG1-CB 4.47Å
886	N	87.9	Confident	87.2	Confident	34 Å²	34	28.1 Å²	28.1	18%	0.182	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	12.7	-174.3	-58.6	-23.1	0	0	0	113.4	Y360 G884 L888 E889 P893 G894	Y360-N886 PolarHBondContact OH-ND2 3.02Å; Y360-N886 VanDerWaalsContact OH-ND2 3.15Å; G884-N886 PolarHBondContact O-N 2.8Å; N886-L888 PolarHBondContact O-N 3.46Å; N886-E889 HydrophobicContact CB-CG 4.33Å; N886-E889 WeakPolarHBondContact O-CB 3.31Å; N886-E889 PolarHBondContact O-N 3.49Å; N886-P893 WeakPolarHBondContact CB-O 3.27Å; N886-G894 VanDerWaalsContact O-CA 3.27Å; N886-G894 WeakPolarHBondContact O-CA 3.44Å
887	Y	91.2	Very high	88.7	Confident	19 Å²	19	26.6 Å²	26.6	8%	0.075	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-15.7	-165.8	83.2	-92.4	0	0	0	116.3	L868 H874 K879 V880 L883 G884	L868-Y887 HydrophobicContact CD2-CD2 3.73Å; L868-Y887 HydrophobicContact CD2-CE2 4.16Å; H874-Y887 AromaticContact CE1-CE1 3.82Å; H874-Y887 AromaticContact ND1-CE1 3.39Å; H874-Y887 WeakPolarHBondContact ND1-CE1 3.35Å; H874-Y887 AromaticContact ND1-CZ 3.51Å; H874-Y887 PolarHBondContact ND1-OH 3.25Å; K879-Y887 HydrophobicContact CB-CD1 4.41Å; K879-Y887 HydrophobicContact CB-CE1 3.71Å; K879-Y887 HydrophobicContact CB-CE2 4.28Å; K879-Y887 HydrophobicContact CD-CE2 4.12Å; V880-Y887 HydrophobicContact CG2-CD1 4.12Å; V880-Y887 HydrophobicContact CG2-CE1 3.85Å; L883-Y887 HydrophobicContact CB-CD1 4.46Å; L883-Y887 HydrophobicContact CB-CG 3.95Å; L883-Y887 HydrophobicContact CD1-CD2 3.69Å; L883-Y887 HydrophobicContact CD1-CE2 4.31Å; L883-Y887 HydrophobicContact CD1-CG 3.95Å; G884-Y887 WeakPolarHBondContact O-CD1 3.36Å; G884-Y887 PolarHBondContact O-N 2.84Å
888	L	89.4	Confident	89.5	Confident	110 Å²	110	24.3 Å²	24.3	58%	0.576	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-18.5	175.4	-65.7	174	0	0	0	113.4	N886	N886-L888 PolarHBondContact O-N 3.46Å
889	E	89.9	Confident	89.8	Confident	84 Å²	84	24 Å²	24	39%	0.393	14%	0.138	S	C	.	.	S	Bend	trans	-68.6	144.2	176.4	-66	-65.5	165.9	0	0	110.9	N886 P893 G894	N886-E889 HydrophobicContact CB-CG 4.33Å; N886-E889 WeakPolarHBondContact O-CB 3.31Å; N886-E889 PolarHBondContact O-N 3.49Å; E889-P893 HydrophobicContact CB-CB 4.09Å; E889-G894 WeakPolarHBondContact O-CA 3.39Å
890	P	88.4	Confident	89.9	Confident	24 Å²	24	23.8 Å²	23.8	16%	0.156	14%	0.137	C	C	.	.	S	Bend	trans	-72	148.9	178.8	30.6	-34.5	0	0	0	111.8	P893	P890-P893 WeakPolarHBondContact O-CD 3.38Å
891	G	90.2	Very high	90.2	Very high	12 Å²	12	23.3 Å²	23.3	12%	0.124	13%	0.134	C	C	.	.	S	Bend	trans	67.7	-148.8	173.2	0	0	0	0	0	114.5	G894 V907	G891-G894 PolarHBondContact O-N 3.4Å; G891-V907 VanDerWaalsContact C-CG1 3.41Å; G891-V907 WeakPolarHBondContact O-CG1 3.38Å
892	V	90.8	Very high	90.6	Very high	10 Å²	10	23.1 Å²	23.1	6%	0.061	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-59.6	-40.3	-176.2	173.8	0	0	0	0	113.5	A285 I287 G894 N895 D904 V907	A285-V892 HydrophobicContact CB-CB 4.19Å; A285-V892 HydrophobicContact CB-CG1 3.83Å; I287-V892 HydrophobicContact CD1-CG1 4.15Å; I287-V892 HydrophobicContact CG1-CG1 4.48Å; I287-V892 HydrophobicContact CG1-CG2 4.35Å; V892-G894 PolarHBondContact O-N 3.08Å; V892-G894 VanDerWaalsContact O-N 3.12Å; V892-N895 PolarHBondContact O-N 2.95Å; V892-D904 HydrophobicContact CG1-CB 3.95Å; V892-D904 HydrophobicContact CG2-CB 4.32Å; V892-V907 HydrophobicContact CG2-CB 4.37Å; V892-V907 HydrophobicContact CG2-CG1 4.34Å
893	P	87.2	Confident	90.8	Very high	58 Å²	58	22.7 Å²	22.7	38%	0.377	13%	0.131	S	C	.	.	G	3₁₀ helix	trans	-53.4	-31.3	175.4	-30.2	36.7	0	0	0	115	N886 E889 P890	N886-P893 WeakPolarHBondContact CB-O 3.27Å; E889-P893 HydrophobicContact CB-CB 4.09Å; P890-P893 WeakPolarHBondContact O-CD 3.38Å
894	G	90.1	Very high	90.9	Very high	2 Å²	2	22.9 Å²	22.9	2%	0.021	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-91.6	18	175.3	0	0	0	0	0	115.3	R864 N886 E889 G891 V892	R864-G894 PolarHBondContact NH2-O 3.07Å; N886-G894 VanDerWaalsContact O-CA 3.27Å; N886-G894 WeakPolarHBondContact O-CA 3.44Å; E889-G894 WeakPolarHBondContact O-CA 3.39Å; G891-G894 PolarHBondContact O-N 3.4Å; V892-G894 PolarHBondContact O-N 3.08Å; V892-G894 VanDerWaalsContact O-N 3.12Å
895	N	92.3	Very high	91.2	Very high	7 Å²	7	23.1 Å²	23.1	4%	0.037	13%	0.133	C	C	.	.			trans	-115.9	136.6	170.1	-167.9	57.1	0	0	0	111.1	R864 V892 T900 V902 D904 V907	R864-N895 PolarHBondContact NE-OD1 3.36Å; V892-N895 PolarHBondContact O-N 2.95Å; N895-T900 PolarHBondContact OD1-OG1 3.07Å; N895-V902 PolarHBondContact ND2-O 2.91Å; N895-D904 PolarHBondContact ND2-OD1 2.9Å; N895-V907 HydrophobicContact CB-CG1 4.34Å; N895-V907 HydrophobicContact CB-CG2 4.04Å
896	D	91.1	Very high	91.7	Very high	17 Å²	17	21.4 Å²	21.4	9%	0.091	12%	0.122	C	C	.	.			trans	-120.2	98.8	165.3	-176.6	-12.9	0	0	0	107.4	L883 A898 R899 T900	L883-D896 WeakPolarHBondContact O-CB 3.5Å; D896-A898 PolarHBondContact O-N 2.79Å; D896-A898 VanDerWaalsContact O-N 3.14Å; D896-A898 WeakPolarHBondContact OD1-CB 3.27Å; D896-A898 PolarHBondContact OD1-N 3.39Å; D896-R899 HydrophobicContact CB-CB 4.3Å; D896-R899 HydrophobicContact CB-CG 4.23Å; D896-R899 WeakPolarHBondContact O-CA 3.44Å; D896-R899 PolarHBondContact O-N 2.86Å; D896-R899 WeakPolarHBondContact OD2-CD 3.47Å; D896-R899 IonicContact OD2-CZ 2.72Å; D896-R899 IonicContact OD2-NE 2.6Å; D896-R899 PolarHBondContact OD2-NE 2.85Å; D896-T900 PolarHBondContact O-N 3.32Å; D896-T900 PolarHBondContact O-OG1 3.01Å
897	V	91.2	Very high	92	Very high	24 Å²	24	20.4 Å²	20.4	15%	0.145	12%	0.118	C	C	.	.	H	α-helix	trans	-59.4	-23.6	-179.2	71.6	0	0	0	0	112.2	V469 R899 N901 V902	V469-V897 HydrophobicContact CG2-CB 4.37Å; V469-V897 HydrophobicContact CG2-CG1 3.83Å; V469-V897 HydrophobicContact CG2-CG2 3.87Å; V897-R899 PolarHBondContact O-N 2.82Å; V897-N901 VanDerWaalsContact O-CA 3.26Å; V897-N901 WeakPolarHBondContact O-CA 3.33Å; V897-N901 PolarHBondContact O-N 3Å; V897-V902 WeakPolarHBondContact CG2-O 3.4Å
898	A	89.4	Confident	92.2	Very high	24 Å²	24	19.5 Å²	19.5	20%	0.198	11%	0.114	C	C	.	.	H	α-helix	trans	-74.7	-2.9	172.8	0	0	0	0	0	114.1	Y365 V469 R472 D896	Y365-A898 HydrophobicContact CE1-CB 4.18Å; Y365-A898 VanDerWaalsContact CE1-O 3.32Å; Y365-A898 WeakPolarHBondContact CE1-O 3.47Å; V469-A898 HydrophobicContact CG1-CB 4.23Å; R472-A898 VanDerWaalsContact CG-O 3.31Å; R472-A898 WeakPolarHBondContact CG-O 3.44Å; R472-A898 PolarHBondContact NE-O 2.93Å; R472-A898 VanDerWaalsContact NE-O 3.09Å; D896-A898 PolarHBondContact O-N 2.79Å; D896-A898 VanDerWaalsContact O-N 3.14Å; D896-A898 WeakPolarHBondContact OD1-CB 3.27Å; D896-A898 PolarHBondContact OD1-N 3.39Å
899	R	90.7	Very high	92.5	Very high	2 Å²	2	14.9 Å²	14.9	1%	0.008	9%	0.089	C	C	.	.	H	α-helix	trans	-122.5	-41.3	176.5	-61.3	177.7	-166.6	-101.3	-4.1	112.7	Y360 V363 G364 Y365 I477 H881 W882 G884 D896 V897	Y360-R899 PolarHBondContact O-NH2 3.29Å; V363-R899 PolarHBondContact O-NH2 3.3Å; G364-R899 PolarHBondContact O-NH1 3.36Å; Y365-R899 HydrophobicContact CD1-CG 3.83Å; Y365-R899 HydrophobicContact CE1-CG 3.84Å; I477-R899 WeakPolarHBondContact CG2-O 3.2Å; H881-R899 PolarHBondContact O-NH1 2.86Å; W882-R899 WeakPolarHBondContact O-CB 3.37Å; G884-R899 VanDerWaalsContact CA-CD 3.45Å; G884-R899 VanDerWaalsContact N-CD 3.28Å; D896-R899 HydrophobicContact CB-CB 4.3Å; D896-R899 HydrophobicContact CB-CG 4.23Å; D896-R899 WeakPolarHBondContact O-CA 3.44Å; D896-R899 PolarHBondContact O-N 2.86Å; D896-R899 WeakPolarHBondContact OD2-CD 3.47Å; D896-R899 IonicContact OD2-CZ 2.72Å; D896-R899 IonicContact OD2-NE 2.6Å; D896-R899 PolarHBondContact OD2-NE 2.85Å; V897-R899 PolarHBondContact O-N 2.82Å
900	T	93.9	Very high	92.8	Very high	4 Å²	4	12.5 Å²	12.5	3%	0.025	8%	0.077	C	C	.	.	H	α-helix	trans	-90.7	-23.9	-177.3	69.2	0	0	0	0	113.2	R864 L883 N895 D896 V902	R864-T900 HydrophobicContact CG-CG2 4.09Å; L883-T900 HydrophobicContact CD2-CG2 3.91Å; N895-T900 PolarHBondContact OD1-OG1 3.07Å; D896-T900 PolarHBondContact O-N 3.32Å; D896-T900 PolarHBondContact O-OG1 3.01Å; T900-V902 PolarHBondContact O-N 3.34Å; T900-V902 PolarHBondContact OG1-N 2.65Å; T900-V902 VanDerWaalsContact OG1-N 3.14Å
901	N	95.3	Very high	93	Very high	1 Å²	1	12.2 Å²	12.2	1%	0.005	7%	0.073	C	C	.	.			trans	50.1	20.4	-166.5	-160.9	32.9	0	0	0	114.2	Q466 R472 D473 I477 N856 V897	Q466-N901 PolarHBondContact NE2-O 3.04Å; R472-N901 HydrophobicContact CB-CB 4.39Å; D473-N901 WeakPolarHBondContact CA-ND2 3.23Å; I477-N901 HydrophobicContact CG2-CB 3.67Å; N856-N901 PolarHBondContact ND2-ND2 3.28Å; V897-N901 VanDerWaalsContact O-CA 3.26Å; V897-N901 WeakPolarHBondContact O-CA 3.33Å; V897-N901 PolarHBondContact O-N 3Å
902	V	96.4	Very high	93.1	Very high	2 Å²	2	12.2 Å²	12.2	1%	0.012	7%	0.07	C	C	.	.			trans	-90.2	120	171.9	-176.1	0	0	0	0	107.2	C860 E861 R864 N895 V897 T900 D904 R906 V907	C860-V902 VanDerWaalsContact C-CG2 3.45Å; C860-V902 HydrophobicContact CB-CG2 3.91Å; C860-V902 WeakPolarHBondContact O-CG2 3.48Å; E861-V902 HydrophobicContact CB-CG1 4.46Å; R864-V902 HydrophobicContact CB-CG2 3.93Å; R864-V902 HydrophobicContact CG-CG2 4.47Å; N895-V902 PolarHBondContact ND2-O 2.91Å; V897-V902 WeakPolarHBondContact CG2-O 3.4Å; T900-V902 PolarHBondContact O-N 3.34Å; T900-V902 PolarHBondContact OG1-N 2.65Å; T900-V902 VanDerWaalsContact OG1-N 3.14Å; V902-D904 PolarHBondContact O-N 3.29Å; V902-R906 HydrophobicContact CG1-CB 4.13Å; V902-R906 HydrophobicContact CG1-CG 4.02Å; V902-V907 HydrophobicContact CB-CG2 4.46Å; V902-V907 HydrophobicContact CG1-CG2 3.78Å
903	P	95.3	Very high	93.3	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.068	C	C	.	.			trans	-53.9	135.9	178.9	-29.5	37.8	0	0	0	112.2	E462 E465 Q466 V905 R906 V907	E462-P903 HydrophobicContact CB-CB 4.23Å; E462-P903 HydrophobicContact CB-CG 3.88Å; E462-P903 HydrophobicContact CG-CB 4.09Å; E462-P903 HydrophobicContact CG-CG 4.18Å; E465-P903 HydrophobicContact CB-CB 4.28Å; E465-P903 WeakPolarHBondContact OE2-CB 3.44Å; Q466-P903 HydrophobicContact CG-CG 3.66Å; P903-V905 HydrophobicContact CB-CB 4.32Å; P903-V905 PolarHBondContact O-N 3.42Å; P903-R906 HydrophobicContact CB-CB 4.21Å; P903-R906 WeakPolarHBondContact O-CA 3.37Å; P903-R906 VanDerWaalsContact O-CB 3.3Å; P903-R906 WeakPolarHBondContact O-CB 3.36Å; P903-R906 PolarHBondContact O-N 3.08Å; P903-V907 PolarHBondContact O-N 3.3Å
904	D	94	Very high	93.7	Very high	8 Å²	8	9.7 Å²	9.7	4%	0.043	5%	0.053	C	C	.	.	H	α-helix	trans	-58.9	-29.2	170.4	-67.8	-18	0	0	0	110.1	I287 R357 E465 V892 N895 V902 R906 V907 S908	I287-D904 HydrophobicContact CD1-CB 3.53Å; R357-D904 IonicContact NH2-OD2 3.13Å; E465-D904 VanDerWaalsContact CD-N 3.34Å; E465-D904 WeakPolarHBondContact OE1-CB 3.36Å; E465-D904 PolarHBondContact OE1-N 2.72Å; E465-D904 PolarHBondContact OE2-N 2.82Å; V892-D904 HydrophobicContact CG1-CB 3.95Å; V892-D904 HydrophobicContact CG2-CB 4.32Å; N895-D904 PolarHBondContact ND2-OD1 2.9Å; V902-D904 PolarHBondContact O-N 3.29Å; D904-R906 PolarHBondContact O-N 2.8Å; D904-V907 PolarHBondContact O-N 2.86Å; D904-S908 VanDerWaalsContact O-CB 3.23Å; D904-S908 WeakPolarHBondContact O-CB 3.37Å; D904-S908 PolarHBondContact O-N 2.99Å
905	V	94.5	Very high	93.8	Very high	7 Å²	7	9.6 Å²	9.6	4%	0.042	5%	0.052	C	C	.	.	H	α-helix	trans	-55.5	-45.6	167.6	170.2	0	0	0	0	112.6	I287 Y289 N458 E462 E465 P903 Y909	I287-V905 HydrophobicContact CG2-CB 4.42Å; I287-V905 HydrophobicContact CG2-CG2 3.66Å; Y289-V905 HydrophobicContact CD1-CG1 4.31Å; Y289-V905 HydrophobicContact CD2-CG1 4.28Å; Y289-V905 HydrophobicContact CG-CG1 3.87Å; N458-V905 HydrophobicContact CB-CG1 4.26Å; E462-V905 HydrophobicContact CG-CB 4.14Å; E462-V905 HydrophobicContact CG-CG1 3.78Å; E465-V905 WeakPolarHBondContact OE2-CG2 3.29Å; E465-V905 PolarHBondContact OE2-N 3.42Å; P903-V905 HydrophobicContact CB-CB 4.32Å; P903-V905 PolarHBondContact O-N 3.42Å; V905-Y909 PolarHBondContact O-N 2.95Å
906	R	96.1	Very high	93.7	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-65.7	-47.4	178.2	176.7	64.1	67.6	96	0.1	110.3	E462 D858 E861 V902 P903 D904 Y909 R910	E462-R906 IonicContact OE1-CZ 3.23Å; E462-R906 IonicContact OE1-NE 3.85Å; E462-R906 PolarHBondContact OE1-NE 3.26Å; E462-R906 IonicContact OE1-NH2 2.91Å; E462-R906 IonicContact OE2-CZ 2.84Å; E462-R906 VanDerWaalsContact OE2-CZ 3.3Å; E462-R906 IonicContact OE2-NE 3.71Å; E462-R906 PolarHBondContact OE2-NE 3.41Å; E462-R906 VanDerWaalsContact OE2-NE 3.12Å; E462-R906 IonicContact OE2-NH2 3.23Å; E462-R906 PolarHBondContact OE2-NH2 2.97Å; D858-R906 IonicContact OD1-CZ 2.7Å; D858-R906 VanDerWaalsContact OD1-CZ 3.28Å; D858-R906 IonicContact OD1-NH1 2.95Å; D858-R906 PolarHBondContact OD1-NH1 3.01Å; D858-R906 IonicContact OD1-NH2 2.93Å; D858-R906 PolarHBondContact OD1-NH2 2.91Å; E861-R906 IonicContact OE2-CZ 3.02Å; E861-R906 IonicContact OE2-NH1 2.69Å; E861-R906 PolarHBondContact OE2-NH1 2.93Å; V902-R906 HydrophobicContact CG1-CB 4.13Å; V902-R906 HydrophobicContact CG1-CG 4.02Å; P903-R906 HydrophobicContact CB-CB 4.21Å; P903-R906 WeakPolarHBondContact O-CA 3.37Å; P903-R906 VanDerWaalsContact O-CB 3.3Å; P903-R906 WeakPolarHBondContact O-CB 3.36Å; P903-R906 PolarHBondContact O-N 3.08Å; D904-R906 PolarHBondContact O-N 2.8Å; R906-Y909 PolarHBondContact O-N 2.91Å; R906-R910 WeakPolarHBondContact O-CG 3.23Å; R906-R910 PolarHBondContact O-N 3.41Å
907	V	95.4	Very high	93.8	Very high	14 Å²	14	9.1 Å²	9.1	9%	0.085	5%	0.049	C	C	.	.	H	α-helix	trans	-63.8	-42.5	-178.9	-179	0	0	0	0	111.2	G891 V892 N895 V902 P903 D904 R910 H911	G891-V907 VanDerWaalsContact C-CG1 3.41Å; G891-V907 WeakPolarHBondContact O-CG1 3.38Å; V892-V907 HydrophobicContact CG2-CB 4.37Å; V892-V907 HydrophobicContact CG2-CG1 4.34Å; N895-V907 HydrophobicContact CB-CG1 4.34Å; N895-V907 HydrophobicContact CB-CG2 4.04Å; V902-V907 HydrophobicContact CB-CG2 4.46Å; V902-V907 HydrophobicContact CG1-CG2 3.78Å; P903-V907 PolarHBondContact O-N 3.3Å; D904-V907 PolarHBondContact O-N 2.86Å; V907-R910 PolarHBondContact O-N 3.07Å; V907-H911 WeakPolarHBondContact O-CB 3.09Å; V907-H911 PolarHBondContact O-N 2.91Å
908	S	94	Very high	93.9	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-59.4	-48.1	174.5	-157.9	0	0	0	0	110.8	P283 D904 R910 H911 E912	P283-S908 VanDerWaalsContact CG-OG 3.28Å; P283-S908 WeakPolarHBondContact CG-OG 3.34Å; D904-S908 VanDerWaalsContact O-CB 3.23Å; D904-S908 WeakPolarHBondContact O-CB 3.37Å; D904-S908 PolarHBondContact O-N 2.99Å; S908-R910 PolarHBondContact O-N 2.9Å; S908-H911 PolarHBondContact O-N 3.08Å; S908-E912 WeakPolarHBondContact O-CB 3.46Å; S908-E912 VanDerWaalsContact O-CG 3.24Å; S908-E912 WeakPolarHBondContact O-CG 3.33Å; S908-E912 PolarHBondContact O-N 3.41Å; S908-E912 PolarHBondContact OG-OE1 2.9Å
909	Y	95.4	Very high	94	Very high	12 Å²	12	7.1 Å²	7.1	5%	0.047	4%	0.035	C	C	.	.	H	α-helix	trans	-57.8	-46.9	176.3	169.2	-91.4	0	0	0	113	Y289 K450 F451 H454 V905 R906 T913	Y289-Y909 VanDerWaalsContact OH-CA 3.28Å; Y289-Y909 WeakPolarHBondContact OH-CA 3.44Å; Y289-Y909 PolarHBondContact OH-N 3Å; K450-Y909 VanDerWaalsContact C-OH 3.28Å; K450-Y909 HydrophobicContact CD-CE2 4.05Å; K450-Y909 HydrophobicContact CG-CE2 4.11Å; F451-Y909 VanDerWaalsContact CA-OH 3.31Å; F451-Y909 WeakPolarHBondContact CA-OH 3.43Å; F451-Y909 HydrophobicContact CB-CE1 4.29Å; F451-Y909 HydrophobicContact CD2-CD1 4.18Å; F451-Y909 AromaticContact CD2-CE1 3.63Å; F451-Y909 HydrophobicContact CD2-CE1 3.63Å; F451-Y909 HydrophobicContact CG-CE1 4.44Å; F451-Y909 PolarHBondContact N-OH 3.36Å; H454-Y909 HydrophobicContact CB-CD2 3.74Å; H454-Y909 HydrophobicContact CB-CE2 3.62Å; H454-Y909 HydrophobicContact CB-CG 4.3Å; H454-Y909 AromaticContact CD2-CG 3.97Å; H454-Y909 AromaticContact CE1-CG 3.82Å; H454-Y909 AromaticContact CG-CD2 3.51Å; H454-Y909 AromaticContact CG-CE2 3.92Å; H454-Y909 AromaticContact CG-CG 3.69Å; H454-Y909 AromaticContact ND1-CD2 3.4Å; H454-Y909 WeakPolarHBondContact ND1-CD2 3.35Å; H454-Y909 AromaticContact ND1-CG 3.61Å; V905-Y909 PolarHBondContact O-N 2.95Å; R906-Y909 PolarHBondContact O-N 2.91Å; Y909-T913 WeakPolarHBondContact O-CB 3.2Å; Y909-T913 PolarHBondContact O-N 3.17Å; Y909-T913 PolarHBondContact O-OG1 2.65Å
910	R	96.5	Very high	93.9	Very high	35 Å²	35	8.2 Å²	8.2	13%	0.132	4%	0.042	C	C	.	.	H	α-helix	trans	-62.8	-49.1	179.6	-68.8	-63.6	-167.8	-168.9	4	111.1	L818 A819 G821 E861 R906 V907 S908 T913 L914	L818-R910 VanDerWaalsContact O-CZ 3.24Å; L818-R910 PolarHBondContact O-NH1 3.25Å; L818-R910 PolarHBondContact O-NH2 3.16Å; A819-R910 PolarHBondContact O-NH1 3.13Å; G821-R910 VanDerWaalsContact CA-NH1 3.3Å; E861-R910 WeakPolarHBondContact OE1-CG 3.43Å; E861-R910 IonicContact OE1-CZ 3.59Å; E861-R910 IonicContact OE1-NE 2.72Å; E861-R910 PolarHBondContact OE1-NE 3.35Å; E861-R910 IonicContact OE1-NH2 3.9Å; E861-R910 PolarHBondContact OE1-NH2 2.94Å; E861-R910 IonicContact OE2-CZ 3.29Å; E861-R910 IonicContact OE2-NE 2.82Å; E861-R910 PolarHBondContact OE2-NE 3.37Å; E861-R910 IonicContact OE2-NH2 2.74Å; E861-R910 PolarHBondContact OE2-NH2 3.48Å; R906-R910 WeakPolarHBondContact O-CG 3.23Å; R906-R910 PolarHBondContact O-N 3.41Å; V907-R910 PolarHBondContact O-N 3.07Å; S908-R910 PolarHBondContact O-N 2.9Å; R910-T913 PolarHBondContact O-N 2.81Å; R910-L914 PolarHBondContact O-N 3.33Å
911	H	94	Very high	93.8	Very high	17 Å²	17	8 Å²	8	8%	0.079	4%	0.041	C	C	.	.	H	α-helix	trans	-67.9	-48.7	-176.9	-170.5	58	0	0	0	112	Y281 V907 S908 T913 L914 V915	Y281-H911 AromaticContact CE1-CD2 3.79Å; Y281-H911 AromaticContact CZ-NE2 3.94Å; V907-H911 WeakPolarHBondContact O-CB 3.09Å; V907-H911 PolarHBondContact O-N 2.91Å; S908-H911 PolarHBondContact O-N 3.08Å; H911-T913 PolarHBondContact O-N 3.3Å; H911-L914 PolarHBondContact O-N 3.03Å; H911-V915 WeakPolarHBondContact O-CG2 3.32Å; H911-V915 PolarHBondContact O-N 3.47Å
912	E	92.1	Very high	93.5	Very high	12 Å²	12	8.6 Å²	8.6	6%	0.056	4%	0.043	C	C	.	.	H	α-helix	trans	-54.1	-43.4	173	-75.9	174.7	-138.6	0	0	111.1	Y281 P283 Y289 R291 S908 N916	Y281-E912 HydrophobicContact CD1-CG 4.01Å; Y281-E912 HydrophobicContact CE1-CG 4.46Å; P283-E912 VanDerWaalsContact CD-CG 3.47Å; P283-E912 WeakPolarHBondContact CD-OE1 3.47Å; P283-E912 HydrophobicContact CG-CG 4.09Å; Y289-E912 PolarHBondContact OH-OE1 3.07Å; Y289-E912 PolarHBondContact OH-OE2 3.34Å; R291-E912 WeakPolarHBondContact CD-OE2 3.17Å; R291-E912 IonicContact CZ-OE1 2.96Å; R291-E912 VanDerWaalsContact CZ-OE1 3.29Å; R291-E912 IonicContact CZ-OE2 3.3Å; R291-E912 VanDerWaalsContact NE-CD 3.31Å; R291-E912 IonicContact NE-OE1 3.86Å; R291-E912 PolarHBondContact NE-OE1 3Å; R291-E912 IonicContact NE-OE2 2.89Å; R291-E912 PolarHBondContact NE-OE2 3.33Å; R291-E912 IonicContact NH2-OE1 2.71Å; R291-E912 PolarHBondContact NH2-OE1 3.27Å; S908-E912 WeakPolarHBondContact O-CB 3.46Å; S908-E912 VanDerWaalsContact O-CG 3.24Å; S908-E912 WeakPolarHBondContact O-CG 3.33Å; S908-E912 PolarHBondContact O-N 3.41Å; S908-E912 PolarHBondContact OG-OE1 2.9Å; E912-N916 VanDerWaalsContact O-CB 3.32Å; E912-N916 WeakPolarHBondContact O-CB 3.17Å; E912-N916 VanDerWaalsContact O-CG 3.23Å; E912-N916 PolarHBondContact O-N 3.2Å; E912-N916 PolarHBondContact O-ND2 3.34Å
913	T	94.2	Very high	93	Very high	4 Å²	4	12.9 Å²	12.9	3%	0.025	7%	0.066	C	C	.	.	H	α-helix	trans	-67.9	-43.5	-178.8	-60	0	0	0	0	111.9	L447 K450 Y909 R910 H911 N916 E917	L447-T913 HydrophobicContact CD2-CG2 3.35Å; K450-T913 HydrophobicContact CD-CG2 3.92Å; K450-T913 PolarHBondContact NZ-OG1 3.36Å; Y909-T913 WeakPolarHBondContact O-CB 3.2Å; Y909-T913 PolarHBondContact O-N 3.17Å; Y909-T913 PolarHBondContact O-OG1 2.65Å; R910-T913 PolarHBondContact O-N 2.81Å; H911-T913 PolarHBondContact O-N 3.3Å; T913-N916 PolarHBondContact O-N 3.04Å; T913-E917 PolarHBondContact O-N 3.12Å
914	L	95.3	Very high	92.4	Very high	12 Å²	12	13.1 Å²	13.1	6%	0.063	7%	0.068	C	C	.	.	H	α-helix	trans	-61.4	-46.6	175.2	178.6	62	0	0	0	112.2	Y789 L790 Q792 R910 H911 N916 E917 L918	Y789-L914 HydrophobicContact CE1-CD1 4.03Å; Y789-L914 VanDerWaalsContact OH-CA 3.31Å; Y789-L914 WeakPolarHBondContact OH-CA 3.49Å; Y789-L914 PolarHBondContact OH-N 2.89Å; L790-L914 HydrophobicContact CD2-CD1 4.48Å; Q792-L914 HydrophobicContact CG-CD2 3.71Å; R910-L914 PolarHBondContact O-N 3.33Å; H911-L914 PolarHBondContact O-N 3.03Å; L914-N916 VanDerWaalsContact C-N 3.33Å; L914-N916 PolarHBondContact O-N 3.45Å; L914-E917 PolarHBondContact O-N 2.85Å; L914-L918 HydrophobicContact CD1-CD1 4.3Å; L914-L918 HydrophobicContact CG-CD1 4.12Å; L914-L918 WeakPolarHBondContact O-CG 3.48Å; L914-L918 PolarHBondContact O-N 3.22Å
915	V	93.1	Very high	91.3	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-63	-40.4	178.4	176.9	0	0	0	0	110.9	Y281 T335 F339 H911 L918 C919	Y281-V915 HydrophobicContact CD1-CB 4.31Å; Y281-V915 HydrophobicContact CD1-CG1 4.31Å; Y281-V915 HydrophobicContact CD2-CB 4.36Å; Y281-V915 HydrophobicContact CD2-CG1 3.57Å; Y281-V915 HydrophobicContact CE2-CG1 4.37Å; Y281-V915 HydrophobicContact CG-CB 4.05Å; Y281-V915 HydrophobicContact CG-CG1 3.57Å; Y281-V915 HydrophobicContact CG-CG2 4.5Å; T335-V915 HydrophobicContact CG2-CG2 3.85Å; F339-V915 HydrophobicContact CE2-CG1 4.04Å; F339-V915 HydrophobicContact CZ-CG1 3.91Å; H911-V915 WeakPolarHBondContact O-CG2 3.32Å; H911-V915 PolarHBondContact O-N 3.47Å; V915-L918 PolarHBondContact O-N 3.42Å; V915-C919 WeakPolarHBondContact O-CB 3.43Å; V915-C919 PolarHBondContact O-N 2.87Å; V915-C919 PolarHBondContact O-SG 3.42Å; V915-C919 VanDerWaalsContact O-SG 3.34Å
916	N	90.6	Very high	89.8	Confident	13 Å²	13	18.6 Å²	18.6	7%	0.07	10%	0.102	C	C	.	.	H	α-helix	trans	-67.5	-34.7	177.1	-74.4	-53.8	0	0	0	113.2	L280 Y281 E912 T913 L914 T920	L280-N916 WeakPolarHBondContact CD2-OD1 3.45Å; Y281-N916 PolarHBondContact N-OD1 3.47Å; E912-N916 VanDerWaalsContact O-CB 3.32Å; E912-N916 WeakPolarHBondContact O-CB 3.17Å; E912-N916 VanDerWaalsContact O-CG 3.23Å; E912-N916 PolarHBondContact O-N 3.2Å; E912-N916 PolarHBondContact O-ND2 3.34Å; T913-N916 PolarHBondContact O-N 3.04Å; L914-N916 VanDerWaalsContact C-N 3.33Å; L914-N916 PolarHBondContact O-N 3.45Å; N916-T920 WeakPolarHBondContact O-CB 3.46Å; N916-T920 PolarHBondContact O-N 2.83Å; N916-T920 PolarHBondContact O-OG1 3.01Å
917	E	93	Very high	87.9	Confident	1 Å²	1	21 Å²	21	1%	0.005	12%	0.117	C	C	.	.	H	α-helix	trans	-67	-40.9	171.2	-67	-49.8	102.4	0	0	111.5	R443 Y446 L447 Y786 Y789 L790 T913 L914 T920 I921	R443-E917 IonicContact CZ-OE1 2.74Å; R443-E917 IonicContact CZ-OE2 2.95Å; R443-E917 VanDerWaalsContact CZ-OE2 3.28Å; R443-E917 IonicContact NE-OE2 3.79Å; R443-E917 PolarHBondContact NE-OE2 2.83Å; R443-E917 IonicContact NH2-OE1 3.72Å; R443-E917 PolarHBondContact NH2-OE1 2.67Å; R443-E917 IonicContact NH2-OE2 2.77Å; R443-E917 PolarHBondContact NH2-OE2 2.97Å; Y446-E917 WeakPolarHBondContact CE1-OE1 3.37Å; L447-E917 HydrophobicContact CD2-CG 3.86Å; Y786-E917 PolarHBondContact OH-OE2 2.85Å; Y789-E917 HydrophobicContact CE1-CB 4.14Å; Y789-E917 HydrophobicContact CE1-CG 3.9Å; L790-E917 HydrophobicContact CD2-CB 4.17Å; T913-E917 PolarHBondContact O-N 3.12Å; L914-E917 PolarHBondContact O-N 2.85Å; E917-T920 WeakPolarHBondContact O-CB 3.12Å; E917-T920 PolarHBondContact O-N 3.37Å; E917-I921 WeakPolarHBondContact O-CD1 3.31Å; E917-I921 WeakPolarHBondContact O-CG1 3.24Å; E917-I921 PolarHBondContact O-N 2.95Å; E917-I921 VanDerWaalsContact O-N 3.14Å
918	L	93.5	Very high	85.8	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-62.6	-47.3	174.2	-69.5	166.5	0	0	0	111.2	T335 V336 F339 L790 L914 V915 T920 I921 F922	T335-L918 HydrophobicContact CG2-CD1 4.01Å; V336-L918 HydrophobicContact CG2-CD1 4.21Å; V336-L918 HydrophobicContact CG2-CD2 4.43Å; F339-L918 HydrophobicContact CD1-CB 4.07Å; F339-L918 HydrophobicContact CD2-CB 3.8Å; F339-L918 HydrophobicContact CD2-CD1 3.73Å; F339-L918 HydrophobicContact CD2-CG 4.3Å; F339-L918 HydrophobicContact CE1-CB 3.94Å; F339-L918 HydrophobicContact CE2-CB 3.68Å; F339-L918 HydrophobicContact CE2-CD1 3.92Å; F339-L918 HydrophobicContact CE2-CG 4.44Å; F339-L918 HydrophobicContact CG-CB 4Å; F339-L918 HydrophobicContact CG-CD1 4.47Å; F339-L918 HydrophobicContact CZ-CB 3.76Å; L790-L918 HydrophobicContact CD2-CD2 4.02Å; L790-L918 HydrophobicContact CD2-CG 4.35Å; L914-L918 HydrophobicContact CD1-CD1 4.3Å; L914-L918 HydrophobicContact CG-CD1 4.12Å; L914-L918 WeakPolarHBondContact O-CG 3.48Å; L914-L918 PolarHBondContact O-N 3.22Å; V915-L918 PolarHBondContact O-N 3.42Å; L918-T920 VanDerWaalsContact C-N 3.25Å; L918-T920 PolarHBondContact O-N 2.77Å; L918-I921 PolarHBondContact O-N 2.99Å; L918-I921 VanDerWaalsContact O-N 3.08Å; L918-F922 HydrophobicContact CD2-CD2 4.49Å; L918-F922 HydrophobicContact CD2-CE2 4.05Å; L918-F922 WeakPolarHBondContact O-CD2 3.37Å; L918-F922 PolarHBondContact O-N 3.38Å
919	C	90	Very high	83.7	Confident	6 Å²	6	31.4 Å²	31.4	4%	0.041	18%	0.183	C	C	.	.	H	α-helix	trans	-54.9	-40.1	171.5	-72.2	0	0	0	0	112.2	F339 V915 I921 N923	F339-C919 VanDerWaalsContact CZ-SG 3.6Å; V915-C919 WeakPolarHBondContact O-CB 3.43Å; V915-C919 PolarHBondContact O-N 2.87Å; V915-C919 PolarHBondContact O-SG 3.42Å; V915-C919 VanDerWaalsContact O-SG 3.34Å; C919-I921 VanDerWaalsContact C-N 3.29Å; C919-I921 PolarHBondContact O-N 3.17Å; C919-N923 WeakPolarHBondContact O-CB 3.5Å; C919-N923 PolarHBondContact O-N 3.02Å; C919-N923 PolarHBondContact O-ND2 3.03Å
920	T	88.6	Confident	81.1	Confident	24 Å²	24	38 Å²	38	15%	0.147	22%	0.219	C	C	.	.	H	α-helix	trans	-62.2	-36.7	178.4	-58.7	0	0	0	0	112.1	L307 N916 E917 L918	L307-T920 HydrophobicContact CD1-CG2 4.23Å; N916-T920 WeakPolarHBondContact O-CB 3.46Å; N916-T920 PolarHBondContact O-N 2.83Å; N916-T920 PolarHBondContact O-OG1 3.01Å; E917-T920 WeakPolarHBondContact O-CB 3.12Å; E917-T920 PolarHBondContact O-N 3.37Å; L918-T920 VanDerWaalsContact C-N 3.25Å; L918-T920 PolarHBondContact O-N 2.77Å
921	I	91.8	Very high	77.9	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-77	-53.7	178.2	-65.4	156.7	0	0	0	110.9	S311 V314 I315 Y786 L790 E917 L918 C919 A924	S311-I921 VanDerWaalsContact CB-O 3.32Å; S311-I921 WeakPolarHBondContact CB-O 3.14Å; S311-I921 PolarHBondContact OG-O 3.5Å; V314-I921 HydrophobicContact CB-CG2 4.45Å; V314-I921 HydrophobicContact CG1-CD1 3.97Å; V314-I921 HydrophobicContact CG1-CG2 4.14Å; I315-I921 HydrophobicContact CD1-CG2 4.01Å; I315-I921 HydrophobicContact CG1-CG2 3.67Å; Y786-I921 HydrophobicContact CE1-CD1 4Å; L790-I921 HydrophobicContact CD1-CD1 3.52Å; L790-I921 HydrophobicContact CD2-CD1 3.72Å; L790-I921 HydrophobicContact CG-CD1 4.28Å; E917-I921 WeakPolarHBondContact O-CD1 3.31Å; E917-I921 WeakPolarHBondContact O-CG1 3.24Å; E917-I921 PolarHBondContact O-N 2.95Å; E917-I921 VanDerWaalsContact O-N 3.14Å; L918-I921 PolarHBondContact O-N 2.99Å; L918-I921 VanDerWaalsContact O-N 3.08Å; C919-I921 VanDerWaalsContact C-N 3.29Å; C919-I921 PolarHBondContact O-N 3.17Å; I921-A924 PolarHBondContact O-N 3.37Å
922	F	90.3	Very high	74.9	Confident	14 Å²	14	50.6 Å²	50.6	6%	0.061	28%	0.284	C	S	.	.	H	α-helix	trans	-75.8	-25.3	-172.3	-77.1	-96.1	0	0	0	113.5	I315 L318 F339 L340 L918 A924 N925 P926	I315-F922 HydrophobicContact CD1-CD1 4.08Å; I315-F922 HydrophobicContact CD1-CE1 4.22Å; I315-F922 HydrophobicContact CD1-CG 4.36Å; I315-F922 HydrophobicContact CG1-CD1 4.33Å; I315-F922 HydrophobicContact CG1-CE1 4.02Å; I315-F922 HydrophobicContact CG1-CE2 4.25Å; I315-F922 HydrophobicContact CG1-CZ 3.99Å; I315-F922 HydrophobicContact CG2-CE1 4.29Å; L318-F922 HydrophobicContact CD1-CE2 3.84Å; L318-F922 HydrophobicContact CD1-CZ 3.98Å; F339-F922 HydrophobicContact CB-CD1 4.36Å; F339-F922 HydrophobicContact CB-CD2 4.02Å; F339-F922 HydrophobicContact CB-CE1 4.17Å; F339-F922 HydrophobicContact CB-CE2 3.82Å; F339-F922 HydrophobicContact CB-CG 4.29Å; F339-F922 HydrophobicContact CB-CZ 3.89Å; F339-F922 HydrophobicContact CD1-CB 3.96Å; F339-F922 AromaticContact CD1-CD2 3.82Å; F339-F922 HydrophobicContact CD1-CD2 3.82Å; F339-F922 HydrophobicContact CD1-CE2 4.46Å; F339-F922 AromaticContact CD1-CG 3.86Å; F339-F922 HydrophobicContact CD1-CG 3.86Å; F339-F922 HydrophobicContact CE1-CB 4.5Å; F339-F922 HydrophobicContact CG-CD2 4.21Å; F339-F922 HydrophobicContact CG-CE2 4.41Å; F339-F922 WeakPolarHBondContact O-CE1 3.43Å; L340-F922 HydrophobicContact CD2-CE1 4.05Å; L340-F922 HydrophobicContact CD2-CZ 3.72Å; L340-F922 HydrophobicContact CG-CZ 4.09Å; L918-F922 HydrophobicContact CD2-CD2 4.49Å; L918-F922 HydrophobicContact CD2-CE2 4.05Å; L918-F922 WeakPolarHBondContact O-CD2 3.37Å; L918-F922 PolarHBondContact O-N 3.38Å; F922-A924 VanDerWaalsContact C-N 3.33Å; F922-N925 CarbonylContact O-C 3.59Å; F922-P926 WeakPolarHBondContact O-CA 3.35Å; F922-P926 VanDerWaalsContact O-N 3.17Å
923	N	84.6	Confident	71.8	Confident	91 Å²	91	55.9 Å²	55.9	49%	0.487	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-20.1	174	-64.7	-14	0	0	0	112.7	C919	C919-N923 WeakPolarHBondContact O-CB 3.5Å; C919-N923 PolarHBondContact O-N 3.02Å; C919-N923 PolarHBondContact O-ND2 3.03Å
924	A	82.6	Confident	68.6	Low	6 Å²	6	61.2 Å²	61.2	5%	0.05	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-38.4	174.2	0	0	0	0	0	111.4	L307 R308 I921 F922	L307-A924 HydrophobicContact CD2-CB 3.77Å; L307-A924 HydrophobicContact CG-CB 3.67Å; R308-A924 HydrophobicContact CG-CB 4.37Å; R308-A924 WeakPolarHBondContact CG-O 3.35Å; R308-A924 PolarHBondContact NE-O 2.96Å; I921-A924 PolarHBondContact O-N 3.37Å; F922-A924 VanDerWaalsContact C-N 3.33Å
925	N	72.8	Confident	65.4	Low	43 Å²	43	65.3 Å²	65.3	23%	0.23	38%	0.383	C	S	.	.	S	Bend	trans	-125.5	79.8	174.6	-96.2	-40.5	0	0	0	110.1	R308 E312 I315 F922	R308-N925 PolarHBondContact O-ND2 3.3Å; E312-N925 WeakPolarHBondContact CG-ND2 3.45Å; E312-N925 PolarHBondContact OE1-ND2 3.27Å; I315-N925 HydrophobicContact CD1-CB 4.25Å; F922-N925 CarbonylContact O-C 3.59Å
926	P	61.9	Low	62.1	Low	87 Å²	87	71.4 Å²	71.4	57%	0.565	43%	0.425	S	S	*	.	P	Polyproline II helix	trans	-58.2	144.1	176	25.5	-34.1	0	0	0	109.6	F922	F922-P926 WeakPolarHBondContact O-CA 3.35Å; F922-P926 VanDerWaalsContact O-N 3.17Å
927	P	57.3	Low	59	Low	49 Å²	49	74.9 Å²	74.9	32%	0.318	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-56.6	147.5	172.6	26.1	-33.8	0	0	0	109.3	V929	P927-V929 PolarHBondContact O-N 3.38Å
928	P	50.9	Low	55.8	Low	116 Å²	116	80.6 Å²	80.6	75%	0.753	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-55.7	119.2	173.7	24.7	-33	0	0	0	108.1	D930	P928-D930 PolarHBondContact O-N 3.1Å
929	V	49	Very low	52.7	Low	118 Å²	118	87 Å²	87	72%	0.715	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-67.1	126.3	170.4	-178.1	0	0	0	0	106	P927 D931	P927-V929 PolarHBondContact O-N 3.38Å; V929-D931 VanDerWaalsContact C-N 3.27Å; V929-D931 PolarHBondContact O-N 3.2Å
930	D	40.6	Very low	49.6	Very low	151 Å²	151	91.1 Å²	91.1	81%	0.807	56%	0.558	S	S	*	*			trans	-65.1	94.2	168.6	-73.9	-43.6	0	0	0	107.8	P928 E932	P928-D930 PolarHBondContact O-N 3.1Å; D930-E932 PolarHBondContact O-N 3.36Å
931	D	30	Very low	46.6	Very low	145 Å²	145	97.3 Å²	97.3	78%	0.775	59%	0.591	S	S	*	*			trans	-68.8	68	172.6	-95.3	-29.3	0	0	0	109.7	V929 C933	V929-D931 VanDerWaalsContact C-N 3.27Å; V929-D931 PolarHBondContact O-N 3.2Å; D931-C933 PolarHBondContact O-N 2.86Å
932	E	31.5	Very low	43.6	Very low	170 Å²	170	104.3 Å²	104.3	79%	0.794	63%	0.633	S	S	*	*			trans	-71.1	59.4	158.7	-78.9	-151.2	146.1	0	0	110.4	D930 V934	D930-E932 PolarHBondContact O-N 3.36Å; E932-V934 PolarHBondContact O-N 2.79Å
933	C	26.8	Very low	40.6	Very low	123 Å²	123	112.3 Å²	112.3	83%	0.831	67%	0.668	S	S	*	*			trans	-85.5	52.6	158	-141.6	0	0	0	0	109	D931 S935	D931-C933 PolarHBondContact O-N 2.86Å; C933-S935 PolarHBondContact O-N 3.34Å
934	V	26.9	Very low	37.7	Very low	116 Å²	116	115.3 Å²	115.3	70%	0.703	68%	0.684	S	S	*	*			trans	-73.9	117.3	171.9	179.1	0	0	0	0	107.9	E932 S936	E932-V934 PolarHBondContact O-N 2.79Å; V934-S936 PolarHBondContact O-N 3.04Å
935	S	26.9	Very low	35	Very low	99 Å²	99	121.1 Å²	121.1	69%	0.692	72%	0.724	S	S	*	*			trans	-60.4	127	-177.5	45.3	0	0	0	0	112	C933 S937	C933-S935 PolarHBondContact O-N 3.34Å; S935-S937 PolarHBondContact O-N 3.36Å
936	S	25.5	Very low	32.8	Very low	127 Å²	127	124.7 Å²	124.7	89%	0.888	75%	0.752	S	S	*	*	S	Bend	trans	-73.5	83.4	-179.2	60.8	0	0	0	0	112.3	V934	V934-S936 PolarHBondContact O-N 3.04Å
937	S	25.6	Very low	31.1	Very low	87 Å²	87	126.9 Å²	126.9	61%	0.608	76%	0.76	S	S	*	*			trans	-157.1	122.8	165.4	57.3	0	0	0	0	112.9	S935	S935-S937 PolarHBondContact O-N 3.36Å
938	S	25.7	Very low	29.6	Very low	120 Å²	120	130.4 Å²	130.4	84%	0.839	78%	0.782	S	S	*	*			trans	64.3	137.5	-173.3	74.3	0	0	0	0	113.6
939	V	28.6	Very low	28.4	Very low	135 Å²	135	135.3 Å²	135.3	82%	0.818	79%	0.786	S	S	*	*			cis	-137.5	142.6	38.2	169.4	0	0	0	0	112.6
940	S	24.5	Very low	27.4	Very low	92 Å²	92	141.5 Å²	141.5	64%	0.643	80%	0.796	S	S	*	*			trans	-86.4	147.3	168.2	55.8	0	0	0	0	112.7
941	N	26	Very low	26.6	Very low	154 Å²	154	145.8 Å²	145.8	82%	0.824	80%	0.801	S	S	*	*			trans	65.7	98.2	160.7	-61.6	-33.2	0	0	0	118.8
942	V	28.2	Very low	26.4	Very low	147 Å²	147	145.7 Å²	145.7	89%	0.891	80%	0.8	S	S	*	*			trans	-136.8	132.4	130.9	-179.3	0	0	0	0	109
943	K	26	Very low	26.1	Very low	182 Å²	182	147.1 Å²	147.1	79%	0.791	80%	0.8	S	S	*	*			trans	-93.9	148.4	171	-75.1	179.5	175.3	177.1	0	110.5
944	N	24.5	Very low	26.1	Very low	155 Å²	155	150.7 Å²	150.7	83%	0.829	80%	0.804	S	S	*	*			trans	51.6	105.1	152.9	-60.1	1.8	0	0	0	118.7
945	S	27.3	Very low	26.1	Very low	128 Å²	128	150.1 Å²	150.1	90%	0.895	81%	0.805	S	S	*	*				-147.5	155.7	118.7	74.3	0	0	0	0	110.4
946	S	25.7	Very low	26	Very low	117 Å²	117	154 Å²	154	82%	0.818	81%	0.809	S	S	*	*			trans	-103.3	129	-170	51.8	0	0	0	0	112.4
947	D	26	Very low	26.1	Very low	134 Å²	134	155.9 Å²	155.9	72%	0.717	81%	0.81	S	S	*	*			trans	-145	109.1	159.3	-171	1.8	0	0	0	111.5	R949	D947-R949 PolarHBondContact O-N 2.84Å
948	P	26.2	Very low	26.1	Very low	122 Å²	122	162.6 Å²	162.6	79%	0.792	82%	0.822	S	S	*	*			trans	-95.2	58.7	-179.9	38	-33.8	0	0	0	112.3
949	R	25.5	Very low	26.1	Very low	219 Å²	219	161.2 Å²	161.2	83%	0.826	82%	0.818	S	S	*	*			trans	-136.8	48.6	178.2	-69.7	-166.5	178.5	-174.5	2	116.2	D947	D947-R949 PolarHBondContact O-N 2.84Å
950	R	28.1	Very low	26	Very low	248 Å²	248	161.1 Å²	161.1	94%	0.936	82%	0.817	S	S	*	*			trans	-141.7	66.5	159.3	-85.2	-167	176.3	-171.3	-1.6	112.9
951	R	24.5	Very low	26	Very low	241 Å²	241	162.9 Å²	162.9	91%	0.909	82%	0.818	S	S	*	*			trans	-148.9	98.8	159.7	-81.7	-166.7	179.9	-179.8	0.1	109.1
952	L	24.1	Very low	25.7	Very low	144 Å²	144	165.3 Å²	165.3	75%	0.754	82%	0.822	S	S	*	*			trans	-175.8	85.5	170.1	-107.5	157.7	0	0	0	106.9
953	Y	25.5	Very low	25.6	Very low	200 Å²	200	170.8 Å²	170.8	78%	0.784	84%	0.838	S	S	*	*	S	Bend	trans	175.3	49.5	157.6	-88.3	-54.3	0	0	0	110.6	R737	R737-Y953 PolarHBondContact NH2-OH 2.91Å
954	E	27.2	Very low	25.5	Very low	198 Å²	198	170.3 Å²	170.3	93%	0.925	84%	0.84	S	S	*	*	S	Bend	trans	-159.5	8.6	173.9	-127.2	165	-135	0	0	115.6
955	S	26.1	Very low	25.6	Very low	103 Å²	103	171.1 Å²	171.1	72%	0.72	84%	0.841	S	S	*	*			trans	-143.5	76.6	-176.2	65.9	0	0	0	0	112.3
956	F	25.2	Very low	25.5	Very low	180 Å²	180	173.4 Å²	173.4	79%	0.789	84%	0.838	S	S	*	*	S	Bend	trans	-135.7	-0.9	171.7	-107	-78.6	0	0	0	116.3
957	D	27.5	Very low	25.5	Very low	167 Å²	167	176.8 Å²	176.8	89%	0.893	84%	0.839	S	S	*	*	S	Bend	trans	-108.9	21.3	-176.8	-72.5	-45.4	0	0	0	115.6
958	R	26.7	Very low	25.5	Very low	229 Å²	229	179.4 Å²	179.4	86%	0.864	85%	0.847	S	S	*	*	S	Bend	trans	-133.7	17.1	-178.5	-83.4	-167.5	174.6	-178.9	-0.1	116.9
959	A	24.5	Very low	25.4	Very low	91 Å²	91	183.3 Å²	183.3	75%	0.752	85%	0.851	S	S	*	*			trans	-137.5	39	-173.8	0	0	0	0	0	115.6
960	V	26.4	Very low	25.4	Very low	133 Å²	133	180.7 Å²	180.7	81%	0.806	85%	0.852	S	S	*	*			trans	-134.1	48.7	164.2	-161.2	0	0	0	0	111.4	R877	R877-V960 PolarHBondContact NH2-O 3.27Å; R877-V960 VanDerWaalsContact NH2-O 3.12Å
961	L	24.3	Very low	25.2	Very low	128 Å²	128	175.5 Å²	175.5	67%	0.67	85%	0.846	S	S	*	*	S	Bend	trans	-126.1	131.6	162.5	-80.6	155	0	0	0	105.6
962	F	21.5	Very low	25.3	Very low	205 Å²	205	170.1 Å²	170.1	90%	0.899	84%	0.841	S	S	*	*			trans	76.9	65.3	-165.1	-55.9	-79	0	0	0	116.9
963	Q	24.5	Very low	25.4	Very low	263 Å²	263	172.5 Å²	172.5	100%	1.229	85%	0.848	S	S	*	*				-142.2	0	117.9	-112.2	177.2	2.3	0	0	109.4

Retrieved 963 of 963 residues in 525.5 ms (Link to these results)

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