A0A3B3VG64_9TELE Loading...

Polynucleotide kinase 3'-phosphatase

AlphaFold DB , UniProt , Accession A0A3B3VG64, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 593 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	75.9	Confident	86.5	Confident	58 Å²	58	43.3 Å²	43.3	29%	0.286	29%	0.291	S	S	.	.				0	139.7	0	-170.1	168.3	-164.1	0	0	108.4	Y47 Q50 V96 S97 L98 S99	M1-Y47 HydrophobicContact CB-CD2 3.99Å; M1-Y47 HydrophobicContact CB-CE2 4.1Å; M1-Y47 HydrophobicContact CG-CD2 4.16Å; M1-Y47 HydrophobicContact CG-CE2 4.37Å; M1-Y47 HydrophobicContact CG-CG 4.45Å; M1-Y47 WeakPolarHBondContact O-CE2 3.32Å; M1-Y47 HydrophobicContact SD-CD2 4.21Å; M1-Y47 HydrophobicContact SD-CG 4.12Å; M1-Q50 HydrophobicContact CE-CB 4.07Å; M1-Q50 HydrophobicContact CE-CG 3.8Å; M1-V96 HydrophobicContact CE-CG1 3.48Å; M1-V96 VanDerWaalsContact CE-CG1 3.48Å; M1-V96 HydrophobicContact CG-CG1 4.33Å; M1-S97 CarbonylContact C-O 3.59Å; M1-S97 WeakPolarHBondContact CA-O 3.46Å; M1-L98 HydrophobicContact CB-CD2 4.31Å; M1-L98 HydrophobicContact CE-CD2 3.91Å; M1-L98 HydrophobicContact CG-CD2 3.96Å; M1-L98 HydrophobicContact SD-CD2 3.8Å; M1-S99 PolarHBondContact N-OG 2.98Å
2	S	86.4	Confident	86.9	Confident	54 Å²	54	53.8 Å²	53.8	38%	0.378	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	138.2	172.4	49.4	0	0	0	0	110.7	V96 S97	S2-V96 VanDerWaalsContact O-CA 3.31Å; S2-V96 WeakPolarHBondContact O-CA 3.31Å; S2-S97 PolarHBondContact N-O 3.05Å; S2-S97 PolarHBondContact O-N 2.92Å; S2-S97 PolarHBondContact OG-OG 2.68Å
3	C	90.9	Very high	87.4	Confident	6 Å²	6	50.5 Å²	50.5	4%	0.041	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	133.8	177.3	-173.9	0	0	0	0	109	L15 A45 Y47 V52	C3-L15 HydrophobicContact CB-CB 4.24Å; C3-L15 PolarHBondContact O-N 3.25Å; C3-A45 HydrophobicContact CB-CB 4.22Å; C3-Y47 HydrophobicContact CB-CD1 4.4Å; C3-Y47 HydrophobicContact CB-CE1 3.57Å; C3-Y47 PolarHBondContact N-OH 3.04Å; C3-V52 VanDerWaalsContact SG-CG2 3.54Å
4	T	93.6	Very high	87.8	Confident	24 Å²	24	53.3 Å²	53.3	15%	0.147	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	131	-175.4	-68.2	0	0	0	0	111.6	V6 R12 V13 D95	T4-V6 HydrophobicContact CG2-CG2 4.15Å; T4-R12 HydrophobicContact CG2-CB 3.85Å; T4-R12 HydrophobicContact CG2-CG 4.13Å; T4-V13 CarbonylContact C-O 3.5Å; T4-V13 WeakPolarHBondContact CA-O 3.19Å; T4-D95 PolarHBondContact N-O 3.16Å; T4-D95 PolarHBondContact O-N 3.06Å
5	L	93.8	Very high	88	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	126.4	168.5	-75	166.9	0	0	0	109.8	V13 L15 L23 A43 L77 L83 F92 L94	L5-V13 HydrophobicContact CB-CB 4.25Å; L5-V13 PolarHBondContact N-O 3.2Å; L5-V13 PolarHBondContact O-N 3.39Å; L5-L15 HydrophobicContact CD1-CD1 3.92Å; L5-L15 HydrophobicContact CD1-CD2 4.5Å; L5-L15 HydrophobicContact CG-CD1 4Å; L5-L23 HydrophobicContact CD1-CD1 3.59Å; L5-A43 HydrophobicContact CD1-CB 4.5Å; L5-L77 HydrophobicContact CD2-CD2 4.1Å; L5-L83 HydrophobicContact CD1-CD2 4.2Å; L5-F92 HydrophobicContact CB-CB 4.28Å; L5-F92 HydrophobicContact CB-CD1 4.24Å; L5-F92 HydrophobicContact CD2-CB 4.18Å; L5-L94 HydrophobicContact CD2-CB 4.07Å; L5-L94 HydrophobicContact CD2-CD1 4.04Å; L5-L94 HydrophobicContact CG-CD1 4.27Å
6	V	93.6	Very high	88.1	Confident	40 Å²	40	53.3 Å²	53.3	24%	0.242	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	117.3	-176.8	-170.9	0	0	0	0	109.8	T4 R12 F92 T93 D95	T4-V6 HydrophobicContact CG2-CG2 4.15Å; V6-R12 HydrophobicContact CG1-CG 4.43Å; V6-R12 HydrophobicContact CG2-CG 4.35Å; V6-F92 CarbonylContact O-C 3.59Å; V6-F92 WeakPolarHBondContact O-CA 3.26Å; V6-T93 PolarHBondContact N-O 3.29Å; V6-T93 PolarHBondContact O-N 2.68Å; V6-D95 HydrophobicContact CG2-CB 4.16Å
7	G	90.6	Very high	88.3	Confident	5 Å²	5	55.2 Å²	55.2	5%	0.052	32%	0.321	C	S	.	.			trans	-90.1	162.5	177.3	0	0	0	0	0	113.5	S9 G10 I11	G7-S9 PolarHBondContact O-N 2.9Å; G7-S9 VanDerWaalsContact O-N 3.1Å; G7-G10 PolarHBondContact O-N 2.85Å; G7-I11 PolarHBondContact N-O 3.27Å
8	P	78.1	Confident	87.9	Confident	104 Å²	104	55.4 Å²	55.4	68%	0.675	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-18.7	-173.9	25.9	-37.8	0	0	0	114.6	G10 P91	P8-G10 VanDerWaalsContact C-N 3.28Å; P8-P91 WeakPolarHBondContact CD-O 3.48Å; P8-P91 HydrophobicContact CG-CG 4.35Å
9	S	78.2	Confident	87.9	Confident	83 Å²	83	60.8 Å²	60.8	58%	0.58	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	8.6	174.4	49.7	0	0	0	0	113.7	G7 I11	G7-S9 PolarHBondContact O-N 2.9Å; G7-S9 VanDerWaalsContact O-N 3.1Å; S9-I11 PolarHBondContact O-N 2.78Å; S9-I11 WeakPolarHBondContact OG-CD1 3.17Å; S9-I11 WeakPolarHBondContact OG-CG1 3.12Å
10	G	80.3	Confident	87.9	Confident	54 Å²	54	60.8 Å²	60.8	56%	0.557	36%	0.357	S	S	*	.	S	Bend	trans	77	2.5	-174	0	0	0	0	0	114.3	G7 P8 R12	G7-G10 PolarHBondContact O-N 2.85Å; P8-G10 VanDerWaalsContact C-N 3.28Å; G10-R12 PolarHBondContact O-N 2.83Å
11	I	89.8	Confident	88.2	Confident	48 Å²	48	59.7 Å²	59.7	25%	0.246	35%	0.351	C	S	.	.			trans	-63.2	129.9	174.9	-68.1	175.8	0	0	0	109.4	G7 S9 V13 D28	G7-I11 PolarHBondContact N-O 3.27Å; S9-I11 PolarHBondContact O-N 2.78Å; S9-I11 WeakPolarHBondContact OG-CD1 3.17Å; S9-I11 WeakPolarHBondContact OG-CG1 3.12Å; I11-V13 HydrophobicContact CG2-CG2 4.35Å; I11-D28 WeakPolarHBondContact CG2-O 3.36Å
12	R	92.4	Very high	89.1	Confident	169 Å²	169	60.6 Å²	60.6	64%	0.638	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.8	119.7	179.7	-74.8	-177.6	162	-154	-12.6	110	T4 V6 G10 P14	T4-R12 HydrophobicContact CG2-CB 3.85Å; T4-R12 HydrophobicContact CG2-CG 4.13Å; V6-R12 HydrophobicContact CG1-CG 4.43Å; V6-R12 HydrophobicContact CG2-CG 4.35Å; G10-R12 PolarHBondContact O-N 2.83Å; R12-P14 WeakPolarHBondContact O-CD 3.42Å
13	V	92.6	Very high	89.5	Confident	12 Å²	12	58.2 Å²	58.2	7%	0.073	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	102.5	177.5	176.8	0	0	0	0	108	T4 L5 I11 L15 V21 L23 D28 F92	T4-V13 CarbonylContact C-O 3.5Å; T4-V13 WeakPolarHBondContact CA-O 3.19Å; L5-V13 HydrophobicContact CB-CB 4.25Å; L5-V13 PolarHBondContact N-O 3.2Å; L5-V13 PolarHBondContact O-N 3.39Å; I11-V13 HydrophobicContact CG2-CG2 4.35Å; V13-L15 HydrophobicContact CG1-CD2 4.37Å; V13-V21 HydrophobicContact CG1-CG1 4.35Å; V13-L23 HydrophobicContact CG1-CD1 4.4Å; V13-L23 HydrophobicContact CG1-CD2 3.67Å; V13-D28 WeakPolarHBondContact CG2-O 3.4Å; V13-F92 HydrophobicContact CG2-CE1 4.42Å
14	P	92.6	Very high	89.6	Confident	89 Å²	89	58.1 Å²	58.1	58%	0.578	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.6	142.2	176.9	29.3	-34	0	0	0	110.5	R12	R12-P14 WeakPolarHBondContact O-CD 3.42Å
15	L	91.8	Very high	89.7	Confident	2 Å²	2	60.8 Å²	60.8	1%	0.01	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	121.1	174.4	-58.8	179.1	0	0	0	108.9	C3 L5 V13 V21 A43 A45 Y47 V52 L94	C3-L15 HydrophobicContact CB-CB 4.24Å; C3-L15 PolarHBondContact O-N 3.25Å; L5-L15 HydrophobicContact CD1-CD1 3.92Å; L5-L15 HydrophobicContact CD1-CD2 4.5Å; L5-L15 HydrophobicContact CG-CD1 4Å; V13-L15 HydrophobicContact CG1-CD2 4.37Å; L15-V21 HydrophobicContact CD2-CB 3.81Å; L15-V21 HydrophobicContact CD2-CG1 4.39Å; L15-V21 HydrophobicContact CD2-CG2 3.68Å; L15-A43 HydrophobicContact CD1-CB 4.34Å; L15-A43 HydrophobicContact CD2-CB 4.12Å; L15-A45 HydrophobicContact CB-CB 3.87Å; L15-Y47 PolarHBondContact O-OH 2.78Å; L15-V52 HydrophobicContact CD1-CB 4.38Å; L15-V52 HydrophobicContact CD1-CG1 3.81Å; L15-V52 HydrophobicContact CD1-CG2 3.58Å; L15-L94 HydrophobicContact CD1-CD1 4.48Å
16	E	88.9	Confident	89.5	Confident	105 Å²	105	61.8 Å²	61.8	49%	0.491	36%	0.357	S	S	.	.			trans	-90.4	144.7	177.1	-65.9	178.6	158.9	0	0	110.6	G18 R19	E16-G18 PolarHBondContact O-N 3.39Å; E16-R19 HydrophobicContact CB-CB 4.16Å; E16-R19 HydrophobicContact CB-CG 4.41Å; E16-R19 PolarHBondContact O-N 2.83Å; E16-R19 VanDerWaalsContact O-N 3.12Å; E16-R19 WeakPolarHBondContact OE2-CD 3.05Å; E16-R19 IonicContact OE2-CZ 2.71Å; E16-R19 IonicContact OE2-NE 3.02Å; E16-R19 IonicContact OE2-NH1 3Å; E16-R19 PolarHBondContact OE2-NH1 2.93Å
17	D	91.2	Very high	89.1	Confident	86 Å²	86	65.2 Å²	65.2	46%	0.46	38%	0.38	S	S	.	.	B	Isolated β-bridge	trans	-57	132	-176.3	-169.5	36.2	0	0	0	112.7	R19 C46 Y47	D17-R19 PolarHBondContact O-N 2.72Å; D17-C46 WeakPolarHBondContact OD1-CA 3.37Å; D17-Y47 HydrophobicContact CB-CD1 3.74Å; D17-Y47 HydrophobicContact CB-CD2 4.03Å; D17-Y47 HydrophobicContact CB-CE1 4.07Å; D17-Y47 HydrophobicContact CB-CE2 4.35Å; D17-Y47 HydrophobicContact CB-CG 3.73Å; D17-Y47 PolarHBondContact OD1-N 2.58Å
18	G	81.4	Confident	88.8	Confident	58 Å²	58	70.8 Å²	70.8	60%	0.598	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	65	-4.1	-177.5	0	0	0	0	0	115.9	E16 A45	E16-G18 PolarHBondContact O-N 3.39Å; G18-A45 PolarHBondContact N-O 3.03Å
19	R	87.6	Confident	89.4	Confident	159 Å²	159	66 Å²	66	60%	0.6	38%	0.378	S	S	*	.			trans	-95.5	139.1	-176.1	-71.9	-179.8	176.7	-174	2.3	112.1	E16 D17	E16-R19 HydrophobicContact CB-CB 4.16Å; E16-R19 HydrophobicContact CB-CG 4.41Å; E16-R19 PolarHBondContact O-N 2.83Å; E16-R19 VanDerWaalsContact O-N 3.12Å; E16-R19 WeakPolarHBondContact OE2-CD 3.05Å; E16-R19 IonicContact OE2-CZ 2.71Å; E16-R19 IonicContact OE2-NE 3.02Å; E16-R19 IonicContact OE2-NH1 3Å; E16-R19 PolarHBondContact OE2-NH1 2.93Å; D17-R19 PolarHBondContact O-N 2.72Å
20	A	89.3	Confident	89.8	Confident	59 Å²	59	64.2 Å²	64.2	49%	0.488	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	118.5	179.8	0	0	0	0	0	111.8	K42 A43 V44	A20-K42 HydrophobicContact CB-CD 4.33Å; A20-K42 VanDerWaalsContact CB-CE 3.44Å; A20-K42 HydrophobicContact CB-CG 4.1Å; A20-A43 WeakPolarHBondContact CA-O 3.45Å; A20-V44 HydrophobicContact CB-CG2 4.1Å
21	V	93.5	Very high	90.4	Very high	39 Å²	39	62.2 Å²	62.2	24%	0.236	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	130.1	171.8	-171.5	0	0	0	0	108.9	V13 L15 L23 K42 A43	V13-V21 HydrophobicContact CG1-CG1 4.35Å; L15-V21 HydrophobicContact CD2-CB 3.81Å; L15-V21 HydrophobicContact CD2-CG1 4.39Å; L15-V21 HydrophobicContact CD2-CG2 3.68Å; V21-L23 HydrophobicContact CG1-CD2 3.74Å; V21-L23 HydrophobicContact CG1-CG 4.4Å; V21-K42 WeakPolarHBondContact O-CA 3.4Å; V21-A43 PolarHBondContact N-O 3.47Å; V21-A43 PolarHBondContact O-N 3.17Å
22	I	94.6	Very high	90.4	Very high	76 Å²	76	63.9 Å²	63.9	39%	0.39	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	123.4	179.3	-53.8	-56.1	0	0	0	109.1	H39 V41 K42 L57	I22-H39 HydrophobicContact CG2-CB 3.65Å; I22-V41 WeakPolarHBondContact CA-O 3.06Å; I22-K42 HydrophobicContact CD1-CB 3.72Å; I22-K42 HydrophobicContact CD1-CG 3.86Å; I22-L57 HydrophobicContact CD1-CD1 4.02Å; I22-L57 HydrophobicContact CG2-CD1 4.44Å
23	L	94.4	Very high	90.4	Very high	5 Å²	5	58 Å²	58	3%	0.026	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	149	-175.5	-53.8	177.5	0	0	0	111.1	L5 V13 V21 T29 Q40 V41 A43 L85	L5-L23 HydrophobicContact CD1-CD1 3.59Å; V13-L23 HydrophobicContact CG1-CD1 4.4Å; V13-L23 HydrophobicContact CG1-CD2 3.67Å; V21-L23 HydrophobicContact CG1-CD2 3.74Å; V21-L23 HydrophobicContact CG1-CG 4.4Å; L23-T29 HydrophobicContact CB-CG2 4.3Å; L23-T29 HydrophobicContact CD2-CG2 4.31Å; L23-Q40 WeakPolarHBondContact O-CA 3.49Å; L23-Q40 WeakPolarHBondContact O-CB 3.44Å; L23-Q40 PolarHBondContact O-N 2.96Å; L23-V41 HydrophobicContact CB-CG2 3.85Å; L23-V41 PolarHBondContact N-O 2.82Å; L23-V41 PolarHBondContact O-N 2.93Å; L23-A43 HydrophobicContact CD1-CB 4.38Å; L23-L85 HydrophobicContact CB-CD2 4.03Å
24	G	93.9	Very high	90.3	Very high	4 Å²	4	66.1 Å²	66.1	4%	0.041	39%	0.386	C	S	.	.	S	Bend	trans	166.7	-166.5	-176.1	0	0	0	0	0	111.6	G26 T29 S37	G24-G26 PolarHBondContact O-N 2.85Å; G24-G26 VanDerWaalsContact O-N 3.09Å; G24-T29 VanDerWaalsContact O-CG2 3.25Å; G24-T29 WeakPolarHBondContact O-CG2 3.38Å; G24-T29 PolarHBondContact O-OG1 2.97Å; G24-S37 CarbonylContact C-O 3.44Å; G24-S37 WeakPolarHBondContact CA-O 3.45Å
25	R	94.8	Very high	90.3	Very high	79 Å²	79	68 Å²	68	30%	0.298	39%	0.385	S	S	.	.	S	Bend	trans	-61.3	107	179.6	-174.3	-178	29.5	142.6	-3.2	111.6	V31 A32 D33 C36 S37 R38	R25-V31 WeakPolarHBondContact CA-O 3.5Å; R25-V31 HydrophobicContact CB-CG1 4.49Å; R25-V31 WeakPolarHBondContact CG-O 3.33Å; R25-A32 VanDerWaalsContact CD-C 3.44Å; R25-A32 WeakPolarHBondContact CD-O 3.42Å; R25-D33 VanDerWaalsContact CD-O 3.23Å; R25-D33 WeakPolarHBondContact CD-O 3.47Å; R25-D33 PolarHBondContact NE-O 3.43Å; R25-C36 HydrophobicContact CB-CB 4.06Å; R25-C36 WeakPolarHBondContact CB-O 3.28Å; R25-C36 PolarHBondContact N-SG 2.87Å; R25-C36 VanDerWaalsContact N-SG 3.43Å; R25-C36 PolarHBondContact NE-O 3.27Å; R25-S37 PolarHBondContact N-O 2.81Å; R25-R38 WeakPolarHBondContact O-CG 3.41Å
26	G	90.7	Very high	90.3	Very high	21 Å²	21	68 Å²	68	22%	0.216	39%	0.385	C	S	.	.	S	Bend	trans	-173.8	174.8	-178.8	0	0	0	0	0	112.3	G24 D28 T29 G30 V31	G24-G26 PolarHBondContact O-N 2.85Å; G24-G26 VanDerWaalsContact O-N 3.09Å; G26-D28 PolarHBondContact O-N 3.08Å; G26-T29 PolarHBondContact O-N 2.98Å; G26-T29 PolarHBondContact O-OG1 3.18Å; G26-G30 PolarHBondContact O-N 3.03Å; G26-G30 VanDerWaalsContact O-N 3.11Å; G26-V31 PolarHBondContact N-O 3.23Å
27	P	85.5	Confident	90.5	Very high	112 Å²	112	64.6 Å²	64.6	73%	0.727	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-61.5	-34.3	175.1	27.5	-33.5	0	0	0	111.6	T29 G30	P27-T29 PolarHBondContact O-N 3.48Å; P27-T29 VanDerWaalsContact O-N 3.17Å; P27-G30 PolarHBondContact O-N 2.91Å; P27-G30 VanDerWaalsContact O-N 3.08Å
28	D	83.8	Confident	90.6	Very high	122 Å²	122	69.1 Å²	69.1	65%	0.652	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-67	-18.4	-174	-38	-70.9	0	0	0	113.4	I11 V13 G26	I11-D28 WeakPolarHBondContact CG2-O 3.36Å; V13-D28 WeakPolarHBondContact CG2-O 3.4Å; G26-D28 PolarHBondContact O-N 3.08Å
29	T	89.3	Confident	91.2	Very high	5 Å²	5	72 Å²	72	3%	0.031	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-115.1	-8.3	173.4	64.2	0	0	0	0	112.8	L23 G24 G26 P27 V31 L85 F92	L23-T29 HydrophobicContact CB-CG2 4.3Å; L23-T29 HydrophobicContact CD2-CG2 4.31Å; G24-T29 VanDerWaalsContact O-CG2 3.25Å; G24-T29 WeakPolarHBondContact O-CG2 3.38Å; G24-T29 PolarHBondContact O-OG1 2.97Å; G26-T29 PolarHBondContact O-N 2.98Å; G26-T29 PolarHBondContact O-OG1 3.18Å; P27-T29 PolarHBondContact O-N 3.48Å; P27-T29 VanDerWaalsContact O-N 3.17Å; T29-V31 PolarHBondContact O-N 3.16Å; T29-V31 VanDerWaalsContact O-N 3.08Å; T29-V31 PolarHBondContact OG1-N 2.8Å; T29-L85 HydrophobicContact CG2-CD1 4.13Å; T29-F92 HydrophobicContact CG2-CZ 4.46Å
30	G	88.4	Confident	91.6	Very high	45 Å²	45	64.5 Å²	64.5	46%	0.464	35%	0.353	S	S	.	.			trans	64.8	-2	-168.4	0	0	0	0	0	115.5	G26 P27 A32	G26-G30 PolarHBondContact O-N 3.03Å; G26-G30 VanDerWaalsContact O-N 3.11Å; P27-G30 PolarHBondContact O-N 2.91Å; P27-G30 VanDerWaalsContact O-N 3.08Å; G30-A32 PolarHBondContact O-N 3.43Å
31	V	92.1	Very high	92	Very high	11 Å²	11	61.7 Å²	61.7	7%	0.067	33%	0.329	C	S	.	.			trans	-74.4	128.1	-177.3	177.4	0	0	0	0	110	R25 G26 T29 D33 C36 L85 H90 F92	R25-V31 WeakPolarHBondContact CA-O 3.5Å; R25-V31 HydrophobicContact CB-CG1 4.49Å; R25-V31 WeakPolarHBondContact CG-O 3.33Å; G26-V31 PolarHBondContact N-O 3.23Å; T29-V31 PolarHBondContact O-N 3.16Å; T29-V31 VanDerWaalsContact O-N 3.08Å; T29-V31 PolarHBondContact OG1-N 2.8Å; V31-D33 HydrophobicContact CG1-CB 4.02Å; V31-C36 HydrophobicContact CG1-CB 3.94Å; V31-L85 HydrophobicContact CG2-CD1 4.01Å; V31-H90 HydrophobicContact CG2-CB 3.77Å; V31-F92 HydrophobicContact CG2-CE2 4.49Å
32	A	90.8	Very high	92.1	Very high	83 Å²	83	63.5 Å²	63.5	69%	0.686	33%	0.334	S	S	*	.			trans	-108.2	-8.1	175.3	0	0	0	0	0	114	R25 G30 K34	R25-A32 VanDerWaalsContact CD-C 3.44Å; R25-A32 WeakPolarHBondContact CD-O 3.42Å; G30-A32 PolarHBondContact O-N 3.43Å; A32-K34 PolarHBondContact O-N 2.63Å
33	D	91.4	Very high	92	Very high	45 Å²	45	59.9 Å²	59.9	24%	0.241	32%	0.316	C	S	.	.			trans	-62.8	120	-173.7	-179.1	-1.7	0	0	0	113.2	R25 V31 K35 C36 H90	R25-D33 VanDerWaalsContact CD-O 3.23Å; R25-D33 WeakPolarHBondContact CD-O 3.47Å; R25-D33 PolarHBondContact NE-O 3.43Å; V31-D33 HydrophobicContact CG1-CB 4.02Å; D33-K35 PolarHBondContact O-N 3.29Å; D33-K35 VanDerWaalsContact O-N 3.16Å; D33-K35 WeakPolarHBondContact OD1-CB 3.4Å; D33-K35 PolarHBondContact OD1-N 2.16Å; D33-C36 WeakPolarHBondContact O-CB 3.43Å; D33-C36 PolarHBondContact O-N 3.25Å; D33-H90 WeakPolarHBondContact CB-NE2 3.17Å; D33-H90 IonicContact OD2-CD2 2.74Å; D33-H90 IonicContact OD2-CE1 2.71Å; D33-H90 IonicContact OD2-NE2 3.24Å; D33-H90 PolarHBondContact OD2-NE2 2.71Å
34	K	91.1	Very high	92	Very high	183 Å²	183	61.1 Å²	61.1	80%	0.796	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-21.2	-179.8	-67.3	179.3	-178.8	174.3	0	113.7	A32 C36	A32-K34 PolarHBondContact O-N 2.63Å; K34-C36 VanDerWaalsContact C-N 3.3Å
35	K	91.5	Very high	91.9	Very high	129 Å²	129	61 Å²	61	56%	0.561	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-26	173.5	-61.8	175.1	-178.8	176.2	0	112	D33 N60	D33-K35 PolarHBondContact O-N 3.29Å; D33-K35 VanDerWaalsContact O-N 3.16Å; D33-K35 WeakPolarHBondContact OD1-CB 3.4Å; D33-K35 PolarHBondContact OD1-N 2.16Å; K35-N60 PolarHBondContact O-ND2 3.16Å
36	C	91.8	Very high	91.7	Very high	1 Å²	1	59.3 Å²	59.3	1%	0.007	32%	0.322	C	S	.	.	S	Bend	trans	-80.5	125.1	174.7	-169.1	0	0	0	0	110.3	R25 V31 D33 K34 V86	R25-C36 HydrophobicContact CB-CB 4.06Å; R25-C36 WeakPolarHBondContact CB-O 3.28Å; R25-C36 PolarHBondContact N-SG 2.87Å; R25-C36 VanDerWaalsContact N-SG 3.43Å; R25-C36 PolarHBondContact NE-O 3.27Å; V31-C36 HydrophobicContact CG1-CB 3.94Å; D33-C36 WeakPolarHBondContact O-CB 3.43Å; D33-C36 PolarHBondContact O-N 3.25Å; K34-C36 VanDerWaalsContact C-N 3.3Å; C36-V86 HydrophobicContact CB-CB 4.39Å; C36-V86 HydrophobicContact CB-CG1 3.69Å
37	S	94	Very high	91.6	Very high	35 Å²	35	61.3 Å²	61.3	25%	0.245	32%	0.323	C	S	.	.			trans	-62.4	153.9	169.7	178.3	0	0	0	0	110.3	G24 R25 H39 Q40	G24-S37 CarbonylContact C-O 3.44Å; G24-S37 WeakPolarHBondContact CA-O 3.45Å; R25-S37 PolarHBondContact N-O 2.81Å; S37-H39 VanDerWaalsContact CB-O 3.28Å; S37-H39 WeakPolarHBondContact CB-O 3.41Å; S37-H39 PolarHBondContact O-N 2.83Å; S37-H39 VanDerWaalsContact OG-C 3.24Å; S37-H39 PolarHBondContact OG-N 2.88Å; S37-H39 VanDerWaalsContact OG-N 3.1Å; S37-H39 PolarHBondContact OG-O 2.94Å; S37-Q40 VanDerWaalsContact CB-OE1 3.3Å
38	R	92.5	Very high	91.5	Very high	180 Å²	180	59.8 Å²	59.8	68%	0.679	32%	0.32	S	S	*	.	S	Bend	trans	-64.9	-29.8	167.3	-68.4	-163.8	165.2	168	-3.7	111.8	R25	R25-R38 WeakPolarHBondContact O-CG 3.41Å
39	H	95.3	Very high	91.4	Very high	120 Å²	120	60.2 Å²	60.2	56%	0.556	32%	0.318	S	S	*	.	S	Bend	trans	-119.7	86.9	172.2	-45.1	133.9	0	0	0	106.4	I22 S37	I22-H39 HydrophobicContact CG2-CB 3.65Å; S37-H39 VanDerWaalsContact CB-O 3.28Å; S37-H39 WeakPolarHBondContact CB-O 3.41Å; S37-H39 PolarHBondContact O-N 2.83Å; S37-H39 VanDerWaalsContact OG-C 3.24Å; S37-H39 PolarHBondContact OG-N 2.88Å; S37-H39 VanDerWaalsContact OG-N 3.1Å; S37-H39 PolarHBondContact OG-O 2.94Å
40	Q	95.6	Very high	91.3	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	34%	0.339	C	S	.	.			trans	-97.1	-44.8	-172.7	-179.3	59.3	38.2	0	0	110.9	L23 S37 L57 G58 N60 S62 L85	L23-Q40 WeakPolarHBondContact O-CA 3.49Å; L23-Q40 WeakPolarHBondContact O-CB 3.44Å; L23-Q40 PolarHBondContact O-N 2.96Å; S37-Q40 VanDerWaalsContact CB-OE1 3.3Å; Q40-L57 PolarHBondContact O-N 3.44Å; Q40-G58 PolarHBondContact O-N 3.28Å; Q40-N60 PolarHBondContact NE2-O 3.45Å; Q40-S62 PolarHBondContact NE2-OG 2.82Å; Q40-L85 WeakPolarHBondContact CG-O 3.27Å; Q40-L85 PolarHBondContact NE2-O 2.85Å
41	V	96.1	Very high	91.4	Very high	0 Å²	0	63 Å²	63	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	159.8	171.9	-58	0	0	0	0	111.6	I22 L23 V54 T55 S62 L83 L85	I22-V41 WeakPolarHBondContact CA-O 3.06Å; L23-V41 HydrophobicContact CB-CG2 3.85Å; L23-V41 PolarHBondContact N-O 2.82Å; L23-V41 PolarHBondContact O-N 2.93Å; V41-V54 HydrophobicContact CB-CG1 3.76Å; V41-V54 HydrophobicContact CG1-CG1 3.99Å; V41-V54 HydrophobicContact CG2-CG1 4.04Å; V41-T55 CarbonylContact C-O 3.5Å; V41-T55 VanDerWaalsContact CA-O 3.23Å; V41-T55 WeakPolarHBondContact CA-O 3.44Å; V41-T55 WeakPolarHBondContact CB-O 3.47Å; V41-S62 VanDerWaalsContact CG1-OG 3.27Å; V41-S62 WeakPolarHBondContact CG1-OG 3.38Å; V41-L83 HydrophobicContact CG1-CD1 4.45Å; V41-L83 HydrophobicContact CG2-CD2 4.18Å; V41-L85 HydrophobicContact CG2-CD2 3.76Å
42	K	95.8	Very high	91.5	Very high	78 Å²	78	62.4 Å²	62.4	34%	0.339	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	122.7	163.4	172.9	-168.4	178	-165.9	0	107.3	A20 V21 I22 V44 V54 T55 L57	A20-K42 HydrophobicContact CB-CD 4.33Å; A20-K42 VanDerWaalsContact CB-CE 3.44Å; A20-K42 HydrophobicContact CB-CG 4.1Å; V21-K42 WeakPolarHBondContact O-CA 3.4Å; I22-K42 HydrophobicContact CD1-CB 3.72Å; I22-K42 HydrophobicContact CD1-CG 3.86Å; K42-V44 HydrophobicContact CD-CG2 4.4Å; K42-V44 HydrophobicContact CG-CG2 4.25Å; K42-V54 CarbonylContact O-C 3.43Å; K42-V54 WeakPolarHBondContact O-CA 3.47Å; K42-T55 PolarHBondContact N-O 3Å; K42-T55 PolarHBondContact O-N 3.44Å; K42-L57 HydrophobicContact CB-CD1 4.09Å; K42-L57 HydrophobicContact CB-CG 4.33Å
43	A	94.3	Very high	91.7	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	139.4	170.5	0	0	0	0	0	109.7	L5 L15 A20 V21 L23 V52 V53	L5-A43 HydrophobicContact CD1-CB 4.5Å; L15-A43 HydrophobicContact CD1-CB 4.34Å; L15-A43 HydrophobicContact CD2-CB 4.12Å; A20-A43 WeakPolarHBondContact CA-O 3.45Å; V21-A43 PolarHBondContact N-O 3.47Å; V21-A43 PolarHBondContact O-N 3.17Å; L23-A43 HydrophobicContact CD1-CB 4.38Å; A43-V52 HydrophobicContact CB-CG1 3.85Å; A43-V53 CarbonylContact C-O 3.26Å; A43-V53 WeakPolarHBondContact CA-O 3.42Å
44	V	93.7	Very high	91.9	Very high	31 Å²	31	58.8 Å²	58.8	19%	0.188	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	120.1	172.4	-171.4	0	0	0	0	107.8	A20 K42 V52 V53	A20-V44 HydrophobicContact CB-CG2 4.1Å; K42-V44 HydrophobicContact CD-CG2 4.4Å; K42-V44 HydrophobicContact CG-CG2 4.25Å; V44-V52 CarbonylContact O-C 3.55Å; V44-V52 VanDerWaalsContact O-CA 3.28Å; V44-V52 WeakPolarHBondContact O-CA 3.29Å; V44-V53 PolarHBondContact N-O 2.84Å; V44-V53 PolarHBondContact O-N 3.03Å
45	A	92.4	Very high	92.1	Very high	2 Å²	2	51.2 Å²	51.2	2%	0.017	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	145.9	174.9	0	0	0	0	0	111.4	C3 L15 G18 Y47 V52	C3-A45 HydrophobicContact CB-CB 4.22Å; L15-A45 HydrophobicContact CB-CB 3.87Å; G18-A45 PolarHBondContact N-O 3.03Å; A45-Y47 HydrophobicContact CB-CD1 4.31Å; A45-Y47 HydrophobicContact CB-CE1 4.19Å; A45-V52 HydrophobicContact CB-CG2 4.13Å
46	C	88.9	Confident	92.2	Very high	43 Å²	43	45.1 Å²	45.1	29%	0.291	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	107.9	166.8	-171.5	0	0	0	0	109.4	D17 A48 E49 Q50 D51	D17-C46 WeakPolarHBondContact OD1-CA 3.37Å; C46-A48 VanDerWaalsContact C-N 3.28Å; C46-A48 PolarHBondContact O-N 3.31Å; C46-E49 HydrophobicContact CB-CB 4.29Å; C46-Q50 WeakPolarHBondContact O-CA 3.45Å; C46-Q50 PolarHBondContact O-N 3.19Å; C46-D51 PolarHBondContact N-O 3.24Å; C46-D51 PolarHBondContact O-N 3.44Å
47	Y	89.3	Confident	92.1	Very high	62 Å²	62	48.4 Å²	48.4	24%	0.243	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-23.5	-176.6	-79.6	23.3	0	0	0	112.7	M1 C3 L15 D17 A45	M1-Y47 HydrophobicContact CB-CD2 3.99Å; M1-Y47 HydrophobicContact CB-CE2 4.1Å; M1-Y47 HydrophobicContact CG-CD2 4.16Å; M1-Y47 HydrophobicContact CG-CE2 4.37Å; M1-Y47 HydrophobicContact CG-CG 4.45Å; M1-Y47 WeakPolarHBondContact O-CE2 3.32Å; M1-Y47 HydrophobicContact SD-CD2 4.21Å; M1-Y47 HydrophobicContact SD-CG 4.12Å; C3-Y47 HydrophobicContact CB-CD1 4.4Å; C3-Y47 HydrophobicContact CB-CE1 3.57Å; C3-Y47 PolarHBondContact N-OH 3.04Å; L15-Y47 PolarHBondContact O-OH 2.78Å; D17-Y47 HydrophobicContact CB-CD1 3.74Å; D17-Y47 HydrophobicContact CB-CD2 4.03Å; D17-Y47 HydrophobicContact CB-CE1 4.07Å; D17-Y47 HydrophobicContact CB-CE2 4.35Å; D17-Y47 HydrophobicContact CB-CG 3.73Å; D17-Y47 PolarHBondContact OD1-N 2.58Å; A45-Y47 HydrophobicContact CB-CD1 4.31Å; A45-Y47 HydrophobicContact CB-CE1 4.19Å
48	A	83.6	Confident	92	Very high	80 Å²	80	46.8 Å²	46.8	66%	0.661	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-50.3	174.5	0	0	0	0	0	111.8	C46 Q50	C46-A48 VanDerWaalsContact C-N 3.28Å; C46-A48 PolarHBondContact O-N 3.31Å; A48-Q50 VanDerWaalsContact C-N 3.31Å
49	E	82.4	Confident	91.7	Very high	131 Å²	131	42.8 Å²	42.8	61%	0.612	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-7.3	-178.9	-56.7	-61.5	120.9	0	0	113.4	C46 D51	C46-E49 HydrophobicContact CB-CB 4.29Å; E49-D51 PolarHBondContact O-N 3.31Å
50	Q	86	Confident	91.6	Very high	99 Å²	99	39.8 Å²	39.8	46%	0.463	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	59	26.2	-176.8	-39	-158.8	-1.6	0	0	114.7	M1 C46 A48	M1-Q50 HydrophobicContact CE-CB 4.07Å; M1-Q50 HydrophobicContact CE-CG 3.8Å; C46-Q50 WeakPolarHBondContact O-CA 3.45Å; C46-Q50 PolarHBondContact O-N 3.19Å; A48-Q50 VanDerWaalsContact C-N 3.31Å
51	D	90.4	Very high	91.5	Very high	9 Å²	9	41.2 Å²	41.2	5%	0.048	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	172.8	-177.3	79	3.3	0	0	0	113.7	C46 E49 K76 L77 T78	C46-D51 PolarHBondContact N-O 3.24Å; C46-D51 PolarHBondContact O-N 3.44Å; E49-D51 PolarHBondContact O-N 3.31Å; D51-K76 WeakPolarHBondContact OD2-CD 3.46Å; D51-K76 WeakPolarHBondContact OD2-CE 3.28Å; D51-K76 WeakPolarHBondContact OD2-CG 3.45Å; D51-K76 IonicContact OD2-NZ 2.64Å; D51-K76 PolarHBondContact OD2-NZ 2.86Å; D51-L77 CarbonylContact C-O 3.53Å; D51-L77 WeakPolarHBondContact CA-O 3.29Å; D51-T78 HydrophobicContact CB-CG2 4.3Å
52	V	94	Very high	91.5	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	120.1	171.5	177	0	0	0	0	108.7	C3 L15 A43 V44 A45 V54 K76 L77 L94	C3-V52 VanDerWaalsContact SG-CG2 3.54Å; L15-V52 HydrophobicContact CD1-CB 4.38Å; L15-V52 HydrophobicContact CD1-CG1 3.81Å; L15-V52 HydrophobicContact CD1-CG2 3.58Å; A43-V52 HydrophobicContact CB-CG1 3.85Å; V44-V52 CarbonylContact O-C 3.55Å; V44-V52 VanDerWaalsContact O-CA 3.28Å; V44-V52 WeakPolarHBondContact O-CA 3.29Å; A45-V52 HydrophobicContact CB-CG2 4.13Å; V52-V54 HydrophobicContact CG1-CG2 3.87Å; V52-K76 CarbonylContact O-C 3.56Å; V52-L77 HydrophobicContact CB-CB 4.46Å; V52-L77 PolarHBondContact N-O 3.12Å; V52-L77 PolarHBondContact O-N 3Å; V52-L94 HydrophobicContact CB-CD2 3.97Å; V52-L94 HydrophobicContact CG2-CD1 3.77Å; V52-L94 HydrophobicContact CG2-CD2 3.56Å; V52-L94 HydrophobicContact CG2-CG 4.35Å
53	V	95.5	Very high	91.6	Very high	51 Å²	51	38.4 Å²	38.4	31%	0.309	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	121.3	169.7	-179.5	0	0	0	0	108.5	A43 V44 K76	A43-V53 CarbonylContact C-O 3.26Å; A43-V53 WeakPolarHBondContact CA-O 3.42Å; V44-V53 PolarHBondContact N-O 2.84Å; V44-V53 PolarHBondContact O-N 3.03Å; V53-K76 HydrophobicContact CG2-CG 4.37Å
54	V	95.5	Very high	91.6	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	113.7	179.1	-173.6	0	0	0	0	110	V41 K42 V52 L64 S74 G75 L77 L83	V41-V54 HydrophobicContact CB-CG1 3.76Å; V41-V54 HydrophobicContact CG1-CG1 3.99Å; V41-V54 HydrophobicContact CG2-CG1 4.04Å; K42-V54 CarbonylContact O-C 3.43Å; K42-V54 WeakPolarHBondContact O-CA 3.47Å; V52-V54 HydrophobicContact CG1-CG2 3.87Å; V54-L64 HydrophobicContact CB-CD1 4.27Å; V54-L64 HydrophobicContact CB-CD2 3.99Å; V54-L64 HydrophobicContact CG1-CD2 4.22Å; V54-L64 HydrophobicContact CG2-CD2 4.07Å; V54-S74 VanDerWaalsContact O-CA 3.26Å; V54-S74 WeakPolarHBondContact O-CA 3.45Å; V54-G75 PolarHBondContact N-O 3.4Å; V54-G75 PolarHBondContact O-N 3.11Å; V54-L77 HydrophobicContact CG2-CB 4.42Å; V54-L83 HydrophobicContact CG1-CD1 4.17Å; V54-L83 HydrophobicContact CG1-CD2 4.29Å
55	T	94.7	Very high	91.4	Very high	24 Å²	24	42.2 Å²	42.2	15%	0.147	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	130.5	175	-49.2	0	0	0	0	110.5	V41 K42 L57 Q73 S74	V41-T55 CarbonylContact C-O 3.5Å; V41-T55 VanDerWaalsContact CA-O 3.23Å; V41-T55 WeakPolarHBondContact CA-O 3.44Å; V41-T55 WeakPolarHBondContact CB-O 3.47Å; K42-T55 PolarHBondContact N-O 3Å; K42-T55 PolarHBondContact O-N 3.44Å; T55-L57 HydrophobicContact CG2-CD2 4.38Å; T55-Q73 WeakPolarHBondContact CA-O 3.37Å; T55-S74 WeakPolarHBondContact CB-OG 3.2Å; T55-S74 WeakPolarHBondContact CG2-OG 2.93Å; T55-S74 PolarHBondContact OG1-OG 2.75Å
56	Q	95.1	Very high	90.9	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.009	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	126.7	173.1	-176.9	-174	-44.1	0	0	111.8	G58 N60 L69 G72 Q73	Q56-G58 PolarHBondContact NE2-O 2.93Å; Q56-N60 PolarHBondContact NE2-O 3.37Å; Q56-N60 VanDerWaalsContact NE2-O 3.09Å; Q56-L69 HydrophobicContact CB-CB 4.18Å; Q56-L69 HydrophobicContact CB-CD1 4.47Å; Q56-L69 VanDerWaalsContact OE1-C 3.32Å; Q56-L69 PolarHBondContact OE1-O 2.91Å; Q56-G72 PolarHBondContact O-N 2.81Å; Q56-Q73 PolarHBondContact N-O 3.01Å
57	L	89.9	Confident	90.9	Very high	70 Å²	70	49.4 Å²	49.4	37%	0.366	28%	0.277	S	S	.	.			trans	-105.8	-31.5	174.2	-56.3	-176.8	0	0	0	112.7	I22 Q40 K42 T55	I22-L57 HydrophobicContact CD1-CD1 4.02Å; I22-L57 HydrophobicContact CG2-CD1 4.44Å; Q40-L57 PolarHBondContact O-N 3.44Å; K42-L57 HydrophobicContact CB-CD1 4.09Å; K42-L57 HydrophobicContact CB-CG 4.33Å; T55-L57 HydrophobicContact CG2-CD2 4.38Å
58	G	90.1	Very high	91.1	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.01	30%	0.296	C	S	.	.	S	Bend	trans	-70.4	161	-174.6	0	0	0	0	0	114.3	Q40 Q56	Q40-G58 PolarHBondContact O-N 3.28Å; Q56-G58 PolarHBondContact NE2-O 2.93Å
59	P	87.4	Confident	91.5	Very high	95 Å²	95	50.4 Å²	50.4	62%	0.617	27%	0.268	S	S	*	.	S	Bend	trans	-75.3	-33	-178.6	30.7	-34.2	0	0	0	113.1
60	N	93.8	Very high	91.6	Very high	57 Å²	57	45.3 Å²	45.3	31%	0.305	25%	0.251	S	S	.	.	S	Bend	trans	-87.7	147	175.1	-68.1	-49.7	0	0	0	110.2	K35 Q40 Q56 V86	K35-N60 PolarHBondContact O-ND2 3.16Å; Q40-N60 PolarHBondContact NE2-O 3.45Å; Q56-N60 PolarHBondContact NE2-O 3.37Å; Q56-N60 VanDerWaalsContact NE2-O 3.09Å; N60-V86 HydrophobicContact CB-CG2 3.44Å; N60-V86 VanDerWaalsContact CB-CG2 3.44Å
61	P	93.3	Very high	91.7	Very high	30 Å²	30	49.8 Å²	49.8	20%	0.195	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-65.9	140.2	-175.8	25.8	-34.6	0	0	0	113.7	F63 K68 L69 V86 N87	P61-F63 HydrophobicContact CB-CE2 3.97Å; P61-F63 HydrophobicContact CB-CZ 4.4Å; P61-F63 HydrophobicContact CG-CE2 4.08Å; P61-F63 HydrophobicContact CG-CZ 4.43Å; P61-K68 HydrophobicContact CB-CG 4.1Å; P61-L69 WeakPolarHBondContact CB-O 3.44Å; P61-V86 CarbonylContact O-C 3.54Å; P61-V86 WeakPolarHBondContact O-CA 3.4Å; P61-N87 VanDerWaalsContact CD-OD1 3.3Å; P61-N87 WeakPolarHBondContact CD-OD1 3.4Å; P61-N87 WeakPolarHBondContact CG-OD1 3.37Å; P61-N87 PolarHBondContact O-N 3.17Å
62	S	96.3	Very high	91.4	Very high	0 Å²	0	52 Å²	52	0%	0	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-100.3	161.2	166.2	-61.1	0	0	0	0	109.8	Q40 V41 L69 L85	Q40-S62 PolarHBondContact NE2-OG 2.82Å; V41-S62 VanDerWaalsContact CG1-OG 3.27Å; V41-S62 WeakPolarHBondContact CG1-OG 3.38Å; S62-L69 WeakPolarHBondContact O-CB 3.38Å; S62-L69 PolarHBondContact O-N 2.77Å; S62-L85 WeakPolarHBondContact CB-O 3.41Å; S62-L85 PolarHBondContact OG-O 3.4Å
63	F	96.6	Very high	91.2	Very high	20 Å²	20	57.4 Å²	57.4	9%	0.088	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	144.1	-177.3	-62.5	-111.9	0	0	0	111.9	P61 G66 E67 K68 L83 Y84 Q88	P61-F63 HydrophobicContact CB-CE2 3.97Å; P61-F63 HydrophobicContact CB-CZ 4.4Å; P61-F63 HydrophobicContact CG-CE2 4.08Å; P61-F63 HydrophobicContact CG-CZ 4.43Å; F63-G66 WeakPolarHBondContact CD1-O 3.2Å; F63-E67 CarbonylContact C-O 3.4Å; F63-E67 WeakPolarHBondContact CA-O 3.28Å; F63-E67 VanDerWaalsContact CB-O 3.29Å; F63-E67 WeakPolarHBondContact CB-O 3.4Å; F63-K68 HydrophobicContact CD1-CB 3.88Å; F63-K68 HydrophobicContact CD1-CG 4.43Å; F63-K68 HydrophobicContact CE1-CB 3.55Å; F63-K68 HydrophobicContact CE1-CD 4.41Å; F63-K68 HydrophobicContact CE1-CG 3.84Å; F63-K68 HydrophobicContact CZ-CB 4.16Å; F63-K68 HydrophobicContact CZ-CD 4.34Å; F63-K68 HydrophobicContact CZ-CG 3.91Å; F63-L83 CarbonylContact O-C 3.59Å; F63-L83 WeakPolarHBondContact O-CA 3.33Å; F63-Y84 HydrophobicContact CB-CD2 4.22Å; F63-Y84 PolarHBondContact N-O 2.89Å; F63-Y84 PolarHBondContact O-N 3.04Å; F63-Q88 HydrophobicContact CD1-CG 3.75Å; F63-Q88 HydrophobicContact CD2-CG 3.84Å; F63-Q88 HydrophobicContact CE1-CG 3.77Å; F63-Q88 HydrophobicContact CE2-CG 3.92Å; F63-Q88 HydrophobicContact CG-CG 3.79Å; F63-Q88 HydrophobicContact CZ-CG 3.87Å
64	L	93.8	Very high	91.2	Very high	9 Å²	9	58 Å²	58	5%	0.047	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	120.7	173.5	-57.4	178.8	0	0	0	108.3	V54 G66 E67 L69 L77 L83	V54-L64 HydrophobicContact CB-CD1 4.27Å; V54-L64 HydrophobicContact CB-CD2 3.99Å; V54-L64 HydrophobicContact CG1-CD2 4.22Å; V54-L64 HydrophobicContact CG2-CD2 4.07Å; L64-G66 PolarHBondContact O-N 3Å; L64-E67 PolarHBondContact N-O 3Å; L64-E67 WeakPolarHBondContact O-CB 3.34Å; L64-E67 PolarHBondContact O-N 3.37Å; L64-L69 HydrophobicContact CD1-CD1 4.1Å; L64-L69 HydrophobicContact CG-CD1 4.07Å; L64-L69 HydrophobicContact CG-CG 4.44Å; L64-L77 HydrophobicContact CB-CD1 4.39Å; L64-L77 HydrophobicContact CD2-CD1 4.23Å; L64-L83 HydrophobicContact CD2-CB 4.02Å; L64-L83 HydrophobicContact CD2-CD1 3.77Å; L64-L83 HydrophobicContact CD2-CG 4.44Å
65	N	89.7	Confident	91.1	Very high	101 Å²	101	59 Å²	59	54%	0.54	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	19.4	-179.1	-60.8	-19.4	0	0	0	115.3	G81 T82	N65-G81 VanDerWaalsContact OD1-CA 3.22Å; N65-G81 WeakPolarHBondContact OD1-CA 3.28Å; N65-T82 PolarHBondContact N-O 2.82Å; N65-T82 PolarHBondContact OD1-N 3.33Å
66	G	82	Confident	91	Very high	42 Å²	42	63.9 Å²	63.9	43%	0.433	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	101.1	-18.3	-174.6	0	0	0	0	0	114.8	F63 L64	F63-G66 WeakPolarHBondContact CD1-O 3.2Å; L64-G66 PolarHBondContact O-N 3Å
67	E	90.5	Very high	90.9	Very high	155 Å²	155	63.8 Å²	63.8	72%	0.724	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.8	139.3	173.1	-61.5	-167.4	156.1	0	0	111.4	F63 L64	F63-E67 CarbonylContact C-O 3.4Å; F63-E67 WeakPolarHBondContact CA-O 3.28Å; F63-E67 VanDerWaalsContact CB-O 3.29Å; F63-E67 WeakPolarHBondContact CB-O 3.4Å; L64-E67 PolarHBondContact N-O 3Å; L64-E67 WeakPolarHBondContact O-CB 3.34Å; L64-E67 PolarHBondContact O-N 3.37Å
68	K	92.8	Very high	91	Very high	147 Å²	147	64.1 Å²	64.1	64%	0.639	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.8	120	-176.3	-179.3	-178.2	173.4	-171.9	0	111	P61 F63	P61-K68 HydrophobicContact CB-CG 4.1Å; F63-K68 HydrophobicContact CD1-CB 3.88Å; F63-K68 HydrophobicContact CD1-CG 4.43Å; F63-K68 HydrophobicContact CE1-CB 3.55Å; F63-K68 HydrophobicContact CE1-CD 4.41Å; F63-K68 HydrophobicContact CE1-CG 3.84Å; F63-K68 HydrophobicContact CZ-CB 4.16Å; F63-K68 HydrophobicContact CZ-CD 4.34Å; F63-K68 HydrophobicContact CZ-CG 3.91Å
69	L	92	Very high	91.1	Very high	16 Å²	16	69.6 Å²	69.6	8%	0.084	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-81.1	145.1	164.2	-62.9	179.4	0	0	0	110.9	Q56 P61 S62 L64 Q73	Q56-L69 HydrophobicContact CB-CB 4.18Å; Q56-L69 HydrophobicContact CB-CD1 4.47Å; Q56-L69 VanDerWaalsContact OE1-C 3.32Å; Q56-L69 PolarHBondContact OE1-O 2.91Å; P61-L69 WeakPolarHBondContact CB-O 3.44Å; S62-L69 WeakPolarHBondContact O-CB 3.38Å; S62-L69 PolarHBondContact O-N 2.77Å; L64-L69 HydrophobicContact CD1-CD1 4.1Å; L64-L69 HydrophobicContact CG-CD1 4.07Å; L64-L69 HydrophobicContact CG-CG 4.44Å; L69-Q73 HydrophobicContact CD2-CB 4.48Å
70	G	83.6	Confident	91.1	Very high	23 Å²	23	67.1 Å²	67.1	24%	0.237	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-97.7	162.5	162.5	0	0	0	0	0	111.7	G72 Q73	G70-G72 PolarHBondContact O-N 3.38Å; G70-Q73 WeakPolarHBondContact O-CB 3.45Å; G70-Q73 PolarHBondContact O-N 3.38Å
71	R	88.8	Confident	91	Very high	193 Å²	193	64.7 Å²	64.7	73%	0.728	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	123.9	-179.6	-173.6	179.9	-179.9	-145	-4.4	110.9	Q73	R71-Q73 VanDerWaalsContact C-N 3.31Å
72	G	83.5	Confident	91.1	Very high	55 Å²	55	64.5 Å²	64.5	57%	0.567	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.9	-13.3	-175.3	0	0	0	0	0	114.9	Q56 G70	Q56-G72 PolarHBondContact O-N 2.81Å; G70-G72 PolarHBondContact O-N 3.38Å
73	Q	91.4	Very high	91.1	Very high	114 Å²	114	64.5 Å²	64.5	53%	0.533	36%	0.357	S	S	.	.			trans	-75.1	154.5	172.8	-65.2	-179.6	-33.9	0	0	110.9	T55 Q56 L69 G70 R71	T55-Q73 WeakPolarHBondContact CA-O 3.37Å; Q56-Q73 PolarHBondContact N-O 3.01Å; L69-Q73 HydrophobicContact CD2-CB 4.48Å; G70-Q73 WeakPolarHBondContact O-CB 3.45Å; G70-Q73 PolarHBondContact O-N 3.38Å; R71-Q73 VanDerWaalsContact C-N 3.31Å
74	S	94.1	Very high	91.1	Very high	64 Å²	64	66.9 Å²	66.9	45%	0.448	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	144.8	176.1	-52.4	0	0	0	0	110.5	V54 T55	V54-S74 VanDerWaalsContact O-CA 3.26Å; V54-S74 WeakPolarHBondContact O-CA 3.45Å; T55-S74 WeakPolarHBondContact CB-OG 3.2Å; T55-S74 WeakPolarHBondContact CG2-OG 2.93Å; T55-S74 PolarHBondContact OG1-OG 2.75Å
75	G	92.9	Very high	91.1	Very high	20 Å²	20	66.5 Å²	66.5	21%	0.206	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	167.3	168.7	0	0	0	0	0	111.3	V54	V54-G75 PolarHBondContact N-O 3.4Å; V54-G75 PolarHBondContact O-N 3.11Å
76	K	93.2	Very high	91.3	Very high	127 Å²	127	61.7 Å²	61.7	55%	0.552	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.8	145.1	175.6	-74.5	176.7	164	-120.7	0	110.3	D51 V52 V53	D51-K76 WeakPolarHBondContact OD2-CD 3.46Å; D51-K76 WeakPolarHBondContact OD2-CE 3.28Å; D51-K76 WeakPolarHBondContact OD2-CG 3.45Å; D51-K76 IonicContact OD2-NZ 2.64Å; D51-K76 PolarHBondContact OD2-NZ 2.86Å; V52-K76 CarbonylContact O-C 3.56Å; V53-K76 HydrophobicContact CG2-CG 4.37Å
77	L	93.5	Very high	91.7	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	124.7	174.8	-166.9	69.6	0	0	0	108.9	L5 D51 V52 V54 L64 L83 L94	L5-L77 HydrophobicContact CD2-CD2 4.1Å; D51-L77 CarbonylContact C-O 3.53Å; D51-L77 WeakPolarHBondContact CA-O 3.29Å; V52-L77 HydrophobicContact CB-CB 4.46Å; V52-L77 PolarHBondContact N-O 3.12Å; V52-L77 PolarHBondContact O-N 3Å; V54-L77 HydrophobicContact CG2-CB 4.42Å; L64-L77 HydrophobicContact CB-CD1 4.39Å; L64-L77 HydrophobicContact CD2-CD1 4.23Å; L77-L83 HydrophobicContact CD2-CB 3.94Å; L77-L94 HydrophobicContact CB-CD2 4.24Å; L77-L94 HydrophobicContact CD2-CB 3.97Å; L77-L94 HydrophobicContact CD2-CD2 4.23Å; L77-L94 HydrophobicContact CG-CB 4.26Å; L77-L94 HydrophobicContact CG-CD2 4.07Å; L77-L94 WeakPolarHBondContact O-CD2 3.47Å
78	T	92.8	Very high	91.7	Very high	78 Å²	78	60.9 Å²	60.9	48%	0.479	33%	0.325	S	S	.	.			trans	-104	173.9	-179.5	49.5	0	0	0	0	111.4	D51 G80 G81	D51-T78 HydrophobicContact CB-CG2 4.3Å; T78-G80 PolarHBondContact O-N 3.43Å; T78-G81 WeakPolarHBondContact O-CA 3.05Å; T78-G81 PolarHBondContact O-N 3.15Å
79	H	90.6	Very high	91.5	Very high	115 Å²	115	56.4 Å²	56.4	53%	0.532	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.1	134.7	176	-173.2	-83.4	0	0	0	112.4	G81 D95 V96	H79-G81 PolarHBondContact O-N 2.85Å; H79-G81 VanDerWaalsContact O-N 3.16Å; H79-D95 IonicContact NE2-OD1 3.42Å; H79-D95 PolarHBondContact NE2-OD1 2.97Å; H79-V96 PolarHBondContact CD2-N 3.42Å; H79-V96 VanDerWaalsContact CD2-N 3.27Å; H79-V96 PolarHBondContact CD2-O 3.36Å; H79-V96 VanDerWaalsContact CD2-O 3.25Å
80	G	87.8	Confident	91.6	Very high	44 Å²	44	58.3 Å²	58.3	45%	0.454	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.4	-12.1	-176.2	0	0	0	0	0	114.9	T78 L94	T78-G80 PolarHBondContact O-N 3.43Å; G80-L94 PolarHBondContact N-O 3.41Å
81	G	92.8	Very high	92.1	Very high	5 Å²	5	59.3 Å²	59.3	5%	0.052	32%	0.323	C	S	.	.			trans	-63.6	147.5	175.7	0	0	0	0	0	112.4	N65 T78 H79 T93 L94	N65-G81 VanDerWaalsContact OD1-CA 3.22Å; N65-G81 WeakPolarHBondContact OD1-CA 3.28Å; T78-G81 WeakPolarHBondContact O-CA 3.05Å; T78-G81 PolarHBondContact O-N 3.15Å; H79-G81 PolarHBondContact O-N 2.85Å; H79-G81 VanDerWaalsContact O-N 3.16Å; G81-T93 CarbonylContact O-C 3.58Å; G81-T93 WeakPolarHBondContact O-CA 3.19Å; G81-L94 PolarHBondContact O-N 2.96Å
82	T	95.3	Very high	92.4	Very high	26 Å²	26	50.3 Å²	50.3	16%	0.16	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	122	-177.8	-63.8	0	0	0	0	112.4	N65 Y84 P91 F92 T93	N65-T82 PolarHBondContact N-O 2.82Å; N65-T82 PolarHBondContact OD1-N 3.33Å; T82-Y84 HydrophobicContact CG2-CD2 4.32Å; T82-Y84 HydrophobicContact CG2-CE2 3.87Å; T82-P91 HydrophobicContact CG2-CB 3.64Å; T82-F92 WeakPolarHBondContact CA-O 3.28Å; T82-T93 PolarHBondContact OG1-OG1 2.84Å
83	L	95.9	Very high	93	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	122.9	170.7	159	62.6	0	0	0	109.8	L5 V41 V54 F63 L64 L77 L85 P91 F92	L5-L83 HydrophobicContact CD1-CD2 4.2Å; V41-L83 HydrophobicContact CG1-CD1 4.45Å; V41-L83 HydrophobicContact CG2-CD2 4.18Å; V54-L83 HydrophobicContact CG1-CD1 4.17Å; V54-L83 HydrophobicContact CG1-CD2 4.29Å; F63-L83 CarbonylContact O-C 3.59Å; F63-L83 WeakPolarHBondContact O-CA 3.33Å; L64-L83 HydrophobicContact CD2-CB 4.02Å; L64-L83 HydrophobicContact CD2-CD1 3.77Å; L64-L83 HydrophobicContact CD2-CG 4.44Å; L77-L83 HydrophobicContact CD2-CB 3.94Å; L83-L85 HydrophobicContact CD2-CD2 4.09Å; L83-L85 HydrophobicContact CG-CD2 4.34Å; L83-P91 CarbonylContact O-C 3.58Å; L83-P91 VanDerWaalsContact O-CA 3.31Å; L83-P91 WeakPolarHBondContact O-CA 3.4Å; L83-F92 PolarHBondContact N-O 3.04Å; L83-F92 PolarHBondContact O-N 2.93Å
84	Y	96.3	Very high	93.1	Very high	71 Å²	71	45.2 Å²	45.2	28%	0.278	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	116.3	166.2	-58.6	-97.4	0	0	0	109	F63 T82 V86 Q88 P91	F63-Y84 HydrophobicContact CB-CD2 4.22Å; F63-Y84 PolarHBondContact N-O 2.89Å; F63-Y84 PolarHBondContact O-N 3.04Å; T82-Y84 HydrophobicContact CG2-CD2 4.32Å; T82-Y84 HydrophobicContact CG2-CE2 3.87Å; Y84-V86 VanDerWaalsContact C-N 3.31Å; Y84-V86 PolarHBondContact O-N 2.9Å; Y84-Q88 VanDerWaalsContact CD1-C 3.41Å; Y84-Q88 WeakPolarHBondContact CD1-O 3.38Å; Y84-P91 HydrophobicContact CD1-CB 3.92Å; Y84-P91 HydrophobicContact CE1-CB 3.83Å; Y84-P91 HydrophobicContact CE1-CG 4.49Å
85	L	92.7	Very high	93	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	-38	-172.4	-76.6	177.6	0	0	0	112.6	L23 T29 V31 Q40 V41 S62 L83 S89 H90 F92	L23-L85 HydrophobicContact CB-CD2 4.03Å; T29-L85 HydrophobicContact CG2-CD1 4.13Å; V31-L85 HydrophobicContact CG2-CD1 4.01Å; Q40-L85 WeakPolarHBondContact CG-O 3.27Å; Q40-L85 PolarHBondContact NE2-O 2.85Å; V41-L85 HydrophobicContact CG2-CD2 3.76Å; S62-L85 WeakPolarHBondContact CB-O 3.41Å; S62-L85 PolarHBondContact OG-O 3.4Å; L83-L85 HydrophobicContact CD2-CD2 4.09Å; L83-L85 HydrophobicContact CG-CD2 4.34Å; L85-S89 PolarHBondContact N-O 2.84Å; L85-H90 HydrophobicContact CB-CB 4.39Å; L85-H90 PolarHBondContact N-O 2.91Å; L85-H90 VanDerWaalsContact N-O 3.11Å; L85-F92 HydrophobicContact CD1-CD2 3.89Å; L85-F92 HydrophobicContact CD1-CE2 3.43Å; L85-F92 VanDerWaalsContact CD1-CE2 3.43Å; L85-F92 HydrophobicContact CD1-CZ 4.19Å; L85-F92 HydrophobicContact CG-CD2 3.92Å; L85-F92 HydrophobicContact CG-CE2 3.99Å
86	V	94.9	Very high	92.8	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	138.2	175.8	64.9	0	0	0	0	111.8	C36 N60 P61 Y84 Q88 S89	C36-V86 HydrophobicContact CB-CB 4.39Å; C36-V86 HydrophobicContact CB-CG1 3.69Å; N60-V86 HydrophobicContact CB-CG2 3.44Å; N60-V86 VanDerWaalsContact CB-CG2 3.44Å; P61-V86 CarbonylContact O-C 3.54Å; P61-V86 WeakPolarHBondContact O-CA 3.4Å; Y84-V86 VanDerWaalsContact C-N 3.31Å; Y84-V86 PolarHBondContact O-N 2.9Å; V86-Q88 PolarHBondContact O-N 3.22Å; V86-S89 PolarHBondContact N-O 3.17Å; V86-S89 WeakPolarHBondContact O-CA 3.27Å; V86-S89 VanDerWaalsContact O-CB 3.27Å; V86-S89 WeakPolarHBondContact O-CB 3.46Å; V86-S89 PolarHBondContact O-N 2.89Å
87	N	89.6	Confident	92.5	Very high	60 Å²	60	41.5 Å²	41.5	32%	0.321	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.8	51.2	169.5	-62.5	-19.8	0	0	0	113.8	P61 S89	P61-N87 VanDerWaalsContact CD-OD1 3.3Å; P61-N87 WeakPolarHBondContact CD-OD1 3.4Å; P61-N87 WeakPolarHBondContact CG-OD1 3.37Å; P61-N87 PolarHBondContact O-N 3.17Å; N87-S89 PolarHBondContact O-N 2.83Å; N87-S89 PolarHBondContact O-OG 2.78Å; N87-S89 VanDerWaalsContact O-OG 3.05Å
88	Q	90.5	Very high	91.7	Very high	120 Å²	120	47.1 Å²	47.1	56%	0.561	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	22.1	-176.5	-62	178.3	-13.3	0	0	114.6	F63 Y84 V86	F63-Q88 HydrophobicContact CD1-CG 3.75Å; F63-Q88 HydrophobicContact CD2-CG 3.84Å; F63-Q88 HydrophobicContact CE1-CG 3.77Å; F63-Q88 HydrophobicContact CE2-CG 3.92Å; F63-Q88 HydrophobicContact CG-CG 3.79Å; F63-Q88 HydrophobicContact CZ-CG 3.87Å; Y84-Q88 VanDerWaalsContact CD1-C 3.41Å; Y84-Q88 WeakPolarHBondContact CD1-O 3.38Å; V86-Q88 PolarHBondContact O-N 3.22Å
89	S	89.8	Confident	90	Very high	53 Å²	53	47.8 Å²	47.8	37%	0.371	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	157.1	-179.4	-54.9	0	0	0	0	110.7	L85 V86 N87	L85-S89 PolarHBondContact N-O 2.84Å; V86-S89 PolarHBondContact N-O 3.17Å; V86-S89 WeakPolarHBondContact O-CA 3.27Å; V86-S89 VanDerWaalsContact O-CB 3.27Å; V86-S89 WeakPolarHBondContact O-CB 3.46Å; V86-S89 PolarHBondContact O-N 2.89Å; N87-S89 PolarHBondContact O-N 2.83Å; N87-S89 PolarHBondContact O-OG 2.78Å; N87-S89 VanDerWaalsContact O-OG 3.05Å
90	H	93.2	Very high	87.7	Confident	56 Å²	56	47.8 Å²	47.8	26%	0.259	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	58.2	70.9	-177.8	-40.9	-80.1	0	0	0	112	V31 D33 L85 F92	V31-H90 HydrophobicContact CG2-CB 3.77Å; D33-H90 WeakPolarHBondContact CB-NE2 3.17Å; D33-H90 IonicContact OD2-CD2 2.74Å; D33-H90 IonicContact OD2-CE1 2.71Å; D33-H90 IonicContact OD2-NE2 3.24Å; D33-H90 PolarHBondContact OD2-NE2 2.71Å; L85-H90 HydrophobicContact CB-CB 4.39Å; L85-H90 PolarHBondContact N-O 2.91Å; L85-H90 VanDerWaalsContact N-O 3.11Å; H90-F92 WeakPolarHBondContact O-CD2 3.45Å
91	P	95	Very high	85.4	Confident	45 Å²	45	53.8 Å²	53.8	29%	0.292	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	150.5	178.8	29.6	-35	0	0	0	112.3	P8 T82 L83 Y84	P8-P91 WeakPolarHBondContact CD-O 3.48Å; P8-P91 HydrophobicContact CG-CG 4.35Å; T82-P91 HydrophobicContact CG2-CB 3.64Å; L83-P91 CarbonylContact O-C 3.58Å; L83-P91 VanDerWaalsContact O-CA 3.31Å; L83-P91 WeakPolarHBondContact O-CA 3.4Å; Y84-P91 HydrophobicContact CD1-CB 3.92Å; Y84-P91 HydrophobicContact CE1-CB 3.83Å; Y84-P91 HydrophobicContact CE1-CG 4.49Å
92	F	95.7	Very high	82.6	Confident	3 Å²	3	57.2 Å²	57.2	1%	0.013	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	116.6	171	-77.8	-98.6	0	0	0	108.4	L5 V6 V13 T29 V31 T82 L83 L85 H90	L5-F92 HydrophobicContact CB-CB 4.28Å; L5-F92 HydrophobicContact CB-CD1 4.24Å; L5-F92 HydrophobicContact CD2-CB 4.18Å; V6-F92 CarbonylContact O-C 3.59Å; V6-F92 WeakPolarHBondContact O-CA 3.26Å; V13-F92 HydrophobicContact CG2-CE1 4.42Å; T29-F92 HydrophobicContact CG2-CZ 4.46Å; V31-F92 HydrophobicContact CG2-CE2 4.49Å; T82-F92 WeakPolarHBondContact CA-O 3.28Å; L83-F92 PolarHBondContact N-O 3.04Å; L83-F92 PolarHBondContact O-N 2.93Å; L85-F92 HydrophobicContact CD1-CD2 3.89Å; L85-F92 HydrophobicContact CD1-CE2 3.43Å; L85-F92 VanDerWaalsContact CD1-CE2 3.43Å; L85-F92 HydrophobicContact CD1-CZ 4.19Å; L85-F92 HydrophobicContact CG-CD2 3.92Å; L85-F92 HydrophobicContact CG-CE2 3.99Å; H90-F92 WeakPolarHBondContact O-CD2 3.45Å
93	T	94.8	Very high	79.7	Confident	61 Å²	61	62.8 Å²	62.8	37%	0.374	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	137.8	179	-54.8	0	0	0	0	110.1	V6 G81 T82	V6-T93 PolarHBondContact N-O 3.29Å; V6-T93 PolarHBondContact O-N 2.68Å; G81-T93 CarbonylContact O-C 3.58Å; G81-T93 WeakPolarHBondContact O-CA 3.19Å; T82-T93 PolarHBondContact OG1-OG1 2.84Å
94	L	93.9	Very high	76.6	Confident	1 Å²	1	67.5 Å²	67.5	1%	0.005	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	112.5	-179.2	-177.7	57.6	0	0	0	111.4	L5 L15 V52 L77 G80 G81 V96	L5-L94 HydrophobicContact CD2-CB 4.07Å; L5-L94 HydrophobicContact CD2-CD1 4.04Å; L5-L94 HydrophobicContact CG-CD1 4.27Å; L15-L94 HydrophobicContact CD1-CD1 4.48Å; V52-L94 HydrophobicContact CB-CD2 3.97Å; V52-L94 HydrophobicContact CG2-CD1 3.77Å; V52-L94 HydrophobicContact CG2-CD2 3.56Å; V52-L94 HydrophobicContact CG2-CG 4.35Å; L77-L94 HydrophobicContact CB-CD2 4.24Å; L77-L94 HydrophobicContact CD2-CB 3.97Å; L77-L94 HydrophobicContact CD2-CD2 4.23Å; L77-L94 HydrophobicContact CG-CB 4.26Å; L77-L94 HydrophobicContact CG-CD2 4.07Å; L77-L94 WeakPolarHBondContact O-CD2 3.47Å; G80-L94 PolarHBondContact N-O 3.41Å; G81-L94 PolarHBondContact O-N 2.96Å; L94-V96 HydrophobicContact CD1-CG2 4.24Å; L94-V96 HydrophobicContact CD2-CG2 4.38Å; L94-V96 HydrophobicContact CG-CG2 3.96Å
95	D	91.7	Very high	73.5	Confident	62 Å²	62	69.4 Å²	69.4	33%	0.332	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	136.2	169.7	-172.6	22.4	0	0	0	110.2	T4 V6 H79	T4-D95 PolarHBondContact N-O 3.16Å; T4-D95 PolarHBondContact O-N 3.06Å; V6-D95 HydrophobicContact CG2-CB 4.16Å; H79-D95 IonicContact NE2-OD1 3.42Å; H79-D95 PolarHBondContact NE2-OD1 2.97Å
96	V	89.8	Confident	70.4	Confident	19 Å²	19	77.3 Å²	77.3	12%	0.115	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	118.9	179.7	-167.7	0	0	0	0	107.6	M1 S2 H79 L94	M1-V96 HydrophobicContact CE-CG1 3.48Å; M1-V96 VanDerWaalsContact CE-CG1 3.48Å; M1-V96 HydrophobicContact CG-CG1 4.33Å; S2-V96 VanDerWaalsContact O-CA 3.31Å; S2-V96 WeakPolarHBondContact O-CA 3.31Å; H79-V96 PolarHBondContact CD2-N 3.42Å; H79-V96 VanDerWaalsContact CD2-N 3.27Å; H79-V96 PolarHBondContact CD2-O 3.36Å; H79-V96 VanDerWaalsContact CD2-O 3.25Å; L94-V96 HydrophobicContact CD1-CG2 4.24Å; L94-V96 HydrophobicContact CD2-CG2 4.38Å; L94-V96 HydrophobicContact CG-CG2 3.96Å
97	S	86.2	Confident	67.2	Low	52 Å²	52	85.5 Å²	85.5	36%	0.364	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	137.2	-176.4	68.7	0	0	0	0	112.6	M1 S2	M1-S97 CarbonylContact C-O 3.59Å; M1-S97 WeakPolarHBondContact CA-O 3.46Å; S2-S97 PolarHBondContact N-O 3.05Å; S2-S97 PolarHBondContact O-N 2.92Å; S2-S97 PolarHBondContact OG-OG 2.68Å
98	L	76.1	Confident	65.4	Low	119 Å²	119	87.3 Å²	87.3	62%	0.623	54%	0.537	S	S	*	.			trans	-94.9	113.5	175.7	-69.5	171.7	0	0	0	109.3	M1 S100	M1-L98 HydrophobicContact CB-CD2 4.31Å; M1-L98 HydrophobicContact CE-CD2 3.91Å; M1-L98 HydrophobicContact CG-CD2 3.96Å; M1-L98 HydrophobicContact SD-CD2 3.8Å; L98-S100 PolarHBondContact O-N 3.25Å; L98-S100 VanDerWaalsContact O-N 3.16Å
99	S	56.5	Low	62.4	Low	92 Å²	92	93.9 Å²	93.9	64%	0.643	56%	0.557	S	S	*	*			trans	-81	88.3	-179.6	53.5	0	0	0	0	110.6	M1	M1-S99 PolarHBondContact N-OG 2.98Å
100	S	43.1	Very low	59.5	Low	114 Å²	114	102.3 Å²	102.3	80%	0.797	58%	0.581	S	S	*	*			trans	-79.5	115.6	173.9	42.9	0	0	0	0	111.3	L98	L98-S100 PolarHBondContact O-N 3.25Å; L98-S100 VanDerWaalsContact O-N 3.16Å
101	N	40.7	Very low	56.2	Low	170 Å²	170	106.3 Å²	106.3	91%	0.909	60%	0.604	S	S	*	*			trans	-124	108.2	169.4	-94.5	-14.3	0	0	0	109.3
102	G	32.9	Very low	53.1	Low	78 Å²	78	110.1 Å²	110.1	80%	0.804	62%	0.621	S	S	*	*			trans	-112	135.7	170.9	0	0	0	0	0	110.5
103	T	35.5	Very low	49.8	Very low	143 Å²	143	119.5 Å²	119.5	88%	0.877	66%	0.662	S	S	*	*			trans	-72.3	140.6	-163.2	-36.5	0	0	0	0	115.2
104	A	28.8	Very low	46.6	Very low	99 Å²	99	121.2 Å²	121.2	82%	0.818	68%	0.682	S	S	*	*			trans	-151.9	149.9	150.8	0	0	0	0	0	110.7
105	C	32.6	Very low	43.4	Very low	111 Å²	111	126.1 Å²	126.1	75%	0.75	72%	0.716	S	S	*	*			trans	-94.3	150.6	-177	-65.8	0	0	0	0	112.8
106	N	27.6	Very low	40.3	Very low	166 Å²	166	129 Å²	129	89%	0.888	73%	0.732	S	S	*	*				-174.3	153	121.6	-94.9	-30	0	0	0	114
107	M	27.6	Very low	37.3	Very low	171 Å²	171	136.5 Å²	136.5	84%	0.842	76%	0.763	S	S	*	*			trans	-133.5	172.5	173.9	-81.2	-86.5	-75.3	0	0	107.8
108	P	52.2	Low	34.5	Very low	99 Å²	99	139.9 Å²	139.9	64%	0.643	78%	0.782	S	S	*	*				-126.9	-178	-53.6	38.7	-25.2	0	0	0	110.4
109	R	27	Very low	32.2	Very low	257 Å²	257	144 Å²	144	97%	0.97	79%	0.794	S	S	*	*			trans	-155.3	155.1	157.2	-113.6	157.9	-156.3	-144.2	2.7	114.4
110	R	28.2	Very low	30.6	Very low	231 Å²	231	143.7 Å²	143.7	87%	0.872	81%	0.806	S	S	*	*			trans	-93.6	159.8	-175.6	-66.7	170.9	163.9	167.5	-6.7	112.4
111	N	24.6	Very low	29.8	Very low	139 Å²	139	142 Å²	142	74%	0.743	81%	0.806	S	S	*	*			trans	144.6	156	133.9	-75	-10	0	0	0	111.9
112	L	28.7	Very low	29.1	Very low	126 Å²	126	144.8 Å²	144.8	66%	0.66	80%	0.804	S	S	*	*			cis	-168.3	127.3	-23	-107.2	168.7	0	0	0	109.3
113	K	27.3	Very low	28.8	Very low	199 Å²	199	147 Å²	147	87%	0.865	80%	0.797	S	S	*	*			trans	61.2	171	158.8	-61.7	177.4	179.1	-179.6	0	115.8
114	A	27.7	Very low	28.3	Very low	97 Å²	97	149.8 Å²	149.8	80%	0.802	79%	0.792	S	S	*	*			cis	-141.8	-169.4	9.5	0	0	0	0	0	114.4
115	S	27.5	Very low	28.2	Very low	104 Å²	104	152.2 Å²	152.2	73%	0.727	78%	0.784	S	S	*	*			trans	-77.8	-177.1	-171.9	52.2	0	0	0	0	114.9
116	D	25.3	Very low	27.9	Very low	123 Å²	123	154 Å²	154	66%	0.658	78%	0.781	S	S	*	*			cis	-155.4	-169.9	17.7	-144.4	-21.3	0	0	0	115.7
117	K	27.9	Very low	27.8	Very low	177 Å²	177	150.2 Å²	150.2	77%	0.77	77%	0.773	S	S	*	*			trans	-78	-176.6	179.5	-54.7	140.4	-161.4	137.6	0	111.4
118	T	27.1	Very low	27.6	Very low	123 Å²	123	150.3 Å²	150.3	76%	0.755	77%	0.772	S	S	*	*			cis	-169	135.8	40.8	-45.3	0	0	0	0	107.3
119	K	27.9	Very low	26.2	Very low	204 Å²	204	150.7 Å²	150.7	89%	0.887	78%	0.777	S	S	*	*				79.2	98.4	56.9	-136.8	-169.5	-170.8	-172.8	0	116.5
120	G	23.4	Very low	26.1	Very low	86 Å²	86	143.8 Å²	143.8	89%	0.887	77%	0.768	S	S	*	*			trans	89.4	158.2	161.5	0	0	0	0	0	117.5
121	G	24.6	Very low	26.3	Very low	78 Å²	78	137.6 Å²	137.6	80%	0.804	76%	0.757	S	S	*	*			cis	160.2	139.1	-15.5	0	0	0	0	0	117
122	R	26.2	Very low	26.5	Very low	229 Å²	229	137.4 Å²	137.4	86%	0.864	76%	0.762	S	S	*	*			trans	81	131.3	161.7	-90.9	-177.3	169.6	170.5	-2	122.8
123	N	26.3	Very low	26.9	Very low	124 Å²	124	137 Å²	137	66%	0.663	77%	0.767	S	S	*	*			trans	74.9	150.4	139.5	-68.1	-2	0	0	0	119.5
124	R	26.3	Very low	26.9	Very low	203 Å²	203	137.7 Å²	137.7	77%	0.766	77%	0.77	S	S	*	*			cis	-163.3	155.8	2.4	-130.1	-179.7	179.7	175.4	-1	112.3
125	K	27.1	Very low	26.9	Very low	149 Å²	149	144.7 Å²	144.7	65%	0.648	78%	0.775	S	S	*	*			trans	64.8	153.8	155.9	-65.9	-171.3	160.6	-80.5	0	117.4
126	E	25.6	Very low	27.2	Very low	148 Å²	148	145.3 Å²	145.3	69%	0.692	78%	0.78	S	S	*	*			cis	-174.5	163	-22.2	-107.7	154.8	-158	0	0	106.3
127	A	24.6	Very low	27.3	Very low	88 Å²	88	147.1 Å²	147.1	73%	0.727	79%	0.788	S	S	*	*			cis	-144.5	-138.1	-8.9	0	0	0	0	0	107.1
128	E	23.7	Very low	27.6	Very low	173 Å²	173	146.4 Å²	146.4	81%	0.808	78%	0.784	S	S	*	*			cis	-162.7	-167.7	-5.5	-138.2	-113.6	-101.2	0	0	109.8
129	S	23.8	Very low	27.6	Very low	107 Å²	107	146.5 Å²	146.5	75%	0.748	78%	0.78	S	S	*	*			trans	77	146.5	172	78.4	0	0	0	0	118.5
130	S	23.6	Very low	27.6	Very low	111 Å²	111	145 Å²	145	78%	0.776	77%	0.774	S	S	*	*			trans	-161.7	168.4	-179.3	80.9	0	0	0	0	109
131	P	33.8	Very low	27.9	Very low	101 Å²	101	150.1 Å²	150.1	66%	0.656	77%	0.772	S	S	*	*				-153.9	161.5	61	40.5	-18.8	0	0	0	119.8
132	T	28.3	Very low	28	Very low	136 Å²	136	151.5 Å²	151.5	83%	0.834	77%	0.77	S	S	*	*			trans	73.2	154.1	147	48.9	0	0	0	0	122.9
133	P	36.2	Very low	28	Very low	118 Å²	118	147.1 Å²	147.1	77%	0.766	77%	0.768	S	S	*	*			trans	-124.2	-178.7	-163.1	43.7	-28.9	0	0	0	115.1
134	K	28.2	Very low	28.1	Very low	212 Å²	212	146.3 Å²	146.3	92%	0.922	77%	0.772	S	S	*	*			trans	-136.3	144.1	161.6	-70.4	-171.2	178.1	179.1	0	113
135	R	27	Very low	28.3	Very low	245 Å²	245	142.8 Å²	142.8	93%	0.925	78%	0.775	S	S	*	*			trans	-122.9	150.3	164.6	-86.9	-175.4	171.5	-179.5	-1.1	108.8
136	S	33.9	Very low	28.3	Very low	117 Å²	117	140.4 Å²	140.4	82%	0.818	78%	0.778	S	S	*	*			trans	27.4	128.4	150.7	-169.7	0	0	0	0	119.9
137	I	28.9	Very low	28.2	Very low	161 Å²	161	142.9 Å²	142.9	83%	0.826	79%	0.786	S	S	*	*				-138.1	157.5	129.6	-140.8	167.1	0	0	0	110
138	K	32.7	Very low	28.3	Very low	161 Å²	161	142.9 Å²	142.9	70%	0.7	79%	0.786	S	S	*	*			trans	-109	164.8	169.9	-129.4	-167.4	-179.5	-158.5	0	108.2
139	D	28.6	Very low	28.4	Very low	125 Å²	125	140 Å²	140	67%	0.668	79%	0.785	S	S	*	*			trans	58.3	97.6	159.8	-46.4	-32	0	0	0	116.9
140	F	26.6	Very low	28.6	Very low	173 Å²	173	144 Å²	144	76%	0.759	79%	0.789	S	S	*	*			trans	-148.6	122	142.2	-105.3	-62.6	0	0	0	111.8
141	F	29.6	Very low	28.7	Very low	193 Å²	193	149.2 Å²	149.2	85%	0.846	79%	0.792	S	S	*	*			trans	66.8	128.6	170	-52.3	-64.2	0	0	0	120.1
142	S	27.3	Very low	28.5	Very low	107 Å²	107	151 Å²	151	75%	0.748	79%	0.791	S	S	*	*			trans	-107.8	159.7	160.6	54.1	0	0	0	0	109.6
143	V	27.1	Very low	28.5	Very low	137 Å²	137	151.3 Å²	151.3	83%	0.83	79%	0.787	S	S	*	*			trans	161.7	140	141.5	152.8	0	0	0	0	110.1
144	S	28.1	Very low	28.1	Very low	107 Å²	107	150.9 Å²	150.9	75%	0.748	78%	0.778	S	S	*	*			trans	-96.9	162.3	173.4	-44.6	0	0	0	0	111.9
145	P	30.3	Very low	27.9	Very low	129 Å²	129	147.8 Å²	147.8	84%	0.838	78%	0.777	S	S	*	*				-133.2	-161.5	129.2	35.7	-23.2	0	0	0	113.4
146	S	25.6	Very low	28.3	Very low	99 Å²	99	143.6 Å²	143.6	69%	0.692	77%	0.768	S	S	*	*			trans	-149.9	178.9	-151.2	57	0	0	0	0	114.8
147	K	25.4	Very low	28.1	Very low	201 Å²	201	149.3 Å²	149.3	87%	0.874	77%	0.772	S	S	*	*			trans	90.1	161.1	166.4	-57.5	170.6	-177.5	176	0	117.5
148	A	25.1	Very low	28.4	Very low	87 Å²	87	148.4 Å²	148.4	72%	0.719	77%	0.769	S	S	*	*			cis	179.4	147.2	-36.2	0	0	0	0	0	112
149	S	25.9	Very low	28.4	Very low	112 Å²	112	149.4 Å²	149.4	78%	0.783	78%	0.776	S	S	*	*			trans	178.1	123.6	149.8	-85	0	0	0	0	110.7
150	K	27.8	Very low	28.7	Very low	193 Å²	193	147.7 Å²	147.7	84%	0.839	77%	0.773	S	S	*	*				72.1	112	86	-76.3	-174.2	173.7	-178.7	0	114.5
151	R	25.8	Very low	29.3	Very low	220 Å²	220	146.5 Å²	146.5	83%	0.83	77%	0.77	S	S	*	*				82.5	145.5	73.4	-115	-166	170.2	-161.6	11.6	112.5
152	Q	29.7	Very low	29.9	Very low	138 Å²	138	141.8 Å²	141.8	65%	0.645	76%	0.757	S	S	*	*			cis	-122.2	-156.6	10.1	-55.6	-156.9	126.4	0	0	110.8
153	L	28.1	Very low	30.5	Very low	142 Å²	142	144.3 Å²	144.3	74%	0.743	75%	0.754	S	S	*	*			cis	-149.2	-143	9.3	-143.3	154.6	0	0	0	110.6
154	N	27.6	Very low	31	Very low	109 Å²	109	147 Å²	147	58%	0.583	75%	0.75	S	S	*	*			trans	-123.1	160.2	-159.6	-63.6	19.4	0	0	0	115.5
155	T	25.9	Very low	31.6	Very low	147 Å²	147	147.9 Å²	147.9	90%	0.902	74%	0.742	S	S	*	*			trans	-141	128.4	130	-43	0	0	0	0	108.8
156	E	33.5	Very low	32	Very low	157 Å²	157	148.1 Å²	148.1	73%	0.734	73%	0.73	S	S	*	*			trans	-128.8	117.9	177.9	-72.2	178.3	125	0	0	110.1
157	R	30	Very low	32.6	Very low	238 Å²	238	148.4 Å²	148.4	90%	0.898	72%	0.723	S	S	*	*			trans	174.4	101.6	160.1	-99.4	169.2	-145	-160.1	4.7	106.8
158	D	35.4	Very low	33.5	Very low	142 Å²	142	143.6 Å²	143.6	76%	0.759	71%	0.707	S	S	*	*	S	Bend	trans	170.3	-25.6	164.3	-98.3	-9.7	0	0	0	112.6	S160	D158-S160 PolarHBondContact O-N 3.44Å; D158-S160 VanDerWaalsContact O-N 3.08Å
159	Q	32.5	Very low	34.4	Very low	181 Å²	181	145.7 Å²	145.7	85%	0.846	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	6.9	-169.2	-62	-170.5	3.6	0	0	115.8
160	S	36.4	Very low	35.2	Very low	89 Å²	89	146.6 Å²	146.6	62%	0.622	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.2	-30.9	-175.7	42.8	0	0	0	0	114.7	D158	D158-S160 PolarHBondContact O-N 3.44Å; D158-S160 VanDerWaalsContact O-N 3.08Å
161	E	38.8	Very low	36.4	Very low	149 Å²	149	141 Å²	141	70%	0.696	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.9	-46.2	-172.7	-61.4	-169.8	147.1	0	0	112.3	K163 R164 Q165	E161-K163 PolarHBondContact O-N 2.87Å; E161-R164 PolarHBondContact O-N 2.87Å; E161-Q165 PolarHBondContact O-N 3.29Å
162	V	41.7	Very low	37.8	Very low	93 Å²	93	135.8 Å²	135.8	56%	0.564	66%	0.658	S	S	*	*	H	α-helix	trans	-57	-19.8	176.3	-174.2	0	0	0	0	112.8
163	K	39.1	Very low	39.1	Very low	160 Å²	160	136.6 Å²	136.6	70%	0.696	66%	0.662	S	S	*	*	H	α-helix	trans	-91.2	-12.2	178.9	-150.9	-179.8	-178.3	-174.9	0	114.3	E161	E161-K163 PolarHBondContact O-N 2.87Å
164	R	37.5	Very low	40.4	Very low	193 Å²	193	136.3 Å²	136.3	73%	0.728	66%	0.657	S	S	*	*	H	α-helix	trans	-86.4	-51.6	171.2	-88.8	-178	162.9	166.6	-5.8	111.6	E161 K166 L167 D168	E161-R164 PolarHBondContact O-N 2.87Å; R164-K166 PolarHBondContact O-N 3.06Å; R164-K166 VanDerWaalsContact O-N 3.07Å; R164-L167 WeakPolarHBondContact O-CB 3.38Å; R164-L167 PolarHBondContact O-N 3.09Å; R164-D168 PolarHBondContact O-N 3.23Å; R164-D168 VanDerWaalsContact O-N 3.16Å
165	Q	40.7	Very low	42.4	Very low	126 Å²	126	137.3 Å²	137.3	59%	0.589	65%	0.652	S	S	*	*	H	α-helix	trans	-52.1	-38.1	-179.9	-69.2	173.4	-34.3	0	0	112.8	E161 L167 D168 E169	E161-Q165 PolarHBondContact O-N 3.29Å; Q165-L167 VanDerWaalsContact C-N 3.31Å; Q165-L167 PolarHBondContact O-N 2.87Å; Q165-D168 PolarHBondContact O-N 3Å; Q165-E169 WeakPolarHBondContact O-CB 3.36Å; Q165-E169 WeakPolarHBondContact O-CG 3.38Å; Q165-E169 PolarHBondContact O-N 3.16Å
166	K	39.6	Very low	44.4	Very low	135 Å²	135	134.7 Å²	134.7	59%	0.587	63%	0.632	S	S	*	*	H	α-helix	trans	-75.4	-8.5	177.4	-74	-167.2	170.7	-169.1	0	116.4	R164 Q170	R164-K166 PolarHBondContact O-N 3.06Å; R164-K166 VanDerWaalsContact O-N 3.07Å; K166-Q170 WeakPolarHBondContact O-CG 3.47Å
167	L	38.7	Very low	45.5	Very low	104 Å²	104	130 Å²	130	55%	0.545	62%	0.62	S	S	.	*	H	α-helix	trans	-90.9	-46.8	167.9	-94.3	151	0	0	0	109.2	R164 Q165 E169 Q170 D171	R164-L167 WeakPolarHBondContact O-CB 3.38Å; R164-L167 PolarHBondContact O-N 3.09Å; Q165-L167 VanDerWaalsContact C-N 3.31Å; Q165-L167 PolarHBondContact O-N 2.87Å; L167-E169 VanDerWaalsContact C-N 3.28Å; L167-E169 PolarHBondContact O-N 3.4Å; L167-Q170 PolarHBondContact O-N 3.24Å; L167-D171 PolarHBondContact O-N 3.27Å; L167-D171 VanDerWaalsContact O-N 3.09Å
168	D	43	Very low	47.4	Very low	101 Å²	101	124.8 Å²	124.8	54%	0.54	61%	0.606	S	S	.	*	H	α-helix	trans	-58.8	-37.8	179	-52.9	-42	0	0	0	112.2	R164 Q165 E172	R164-D168 PolarHBondContact O-N 3.23Å; R164-D168 VanDerWaalsContact O-N 3.16Å; Q165-D168 PolarHBondContact O-N 3Å; D168-E172 PolarHBondContact O-N 2.65Å
169	E	44.7	Very low	49.2	Very low	131 Å²	131	123.8 Å²	123.8	61%	0.612	60%	0.597	S	S	*	*	H	α-helix	trans	-66.3	-33	174.1	-76	177.6	157.2	0	0	113.9	Q165 L167 E173	Q165-E169 WeakPolarHBondContact O-CB 3.36Å; Q165-E169 WeakPolarHBondContact O-CG 3.38Å; Q165-E169 PolarHBondContact O-N 3.16Å; L167-E169 VanDerWaalsContact C-N 3.28Å; L167-E169 PolarHBondContact O-N 3.4Å; E169-E173 PolarHBondContact O-N 2.89Å
170	Q	42.3	Very low	51	Low	130 Å²	130	120.8 Å²	120.8	61%	0.607	58%	0.581	S	S	*	*	H	α-helix	trans	-79	-39.2	-179.5	-69.3	-161.2	-100.8	0	0	111.9	K166 L167 E172 E173 E174	K166-Q170 WeakPolarHBondContact O-CG 3.47Å; L167-Q170 PolarHBondContact O-N 3.24Å; Q170-E172 PolarHBondContact O-N 3.45Å; Q170-E173 PolarHBondContact O-N 3.08Å; Q170-E174 PolarHBondContact O-N 3.3Å
171	D	53.6	Low	52.1	Low	76 Å²	76	121.2 Å²	121.2	41%	0.406	58%	0.576	S	S	.	*	H	α-helix	trans	-60.6	-33.1	175.7	-90.1	36.1	0	0	0	112.4	L167 R175	L167-D171 PolarHBondContact O-N 3.27Å; L167-D171 VanDerWaalsContact O-N 3.09Å; D171-R175 WeakPolarHBondContact O-CG 3.24Å; D171-R175 PolarHBondContact O-N 2.73Å; D171-R175 VanDerWaalsContact O-N 3.16Å; D171-R175 PolarHBondContact O-NH1 3.27Å; D171-R175 IonicContact OD2-NH1 3.56Å
172	E	55.8	Low	53.8	Low	110 Å²	110	120.7 Å²	120.7	51%	0.514	57%	0.571	S	S	.	*	H	α-helix	trans	-73	-43.1	173.7	-77.7	-67.8	112.6	0	0	112.8	D168 Q170 E174 R175 L176	D168-E172 PolarHBondContact O-N 2.65Å; Q170-E172 PolarHBondContact O-N 3.45Å; E172-E174 VanDerWaalsContact C-N 3.32Å; E172-E174 PolarHBondContact O-N 2.9Å; E172-R175 PolarHBondContact O-N 3.2Å; E172-R175 IonicContact OE1-CZ 2.83Å; E172-R175 IonicContact OE1-NE 2.65Å; E172-R175 PolarHBondContact OE1-NE 3.28Å; E172-R175 IonicContact OE1-NH2 3.69Å; E172-R175 PolarHBondContact OE1-NH2 3.21Å; E172-L176 WeakPolarHBondContact O-CB 3.38Å; E172-L176 PolarHBondContact O-N 2.9Å
173	E	55.7	Low	55.2	Low	155 Å²	155	121.8 Å²	121.8	72%	0.724	57%	0.57	S	S	*	*	H	α-helix	trans	-62.4	-38.2	175.2	-78.5	-158.2	129.5	0	0	112.2	E169 Q170 L176 A177	E169-E173 PolarHBondContact O-N 2.89Å; Q170-E173 PolarHBondContact O-N 3.08Å; E173-L176 PolarHBondContact O-N 2.71Å; E173-A177 WeakPolarHBondContact O-CB 3.1Å; E173-A177 PolarHBondContact O-N 2.97Å
174	E	55.2	Low	56.2	Low	137 Å²	137	120 Å²	120	64%	0.64	57%	0.568	S	S	*	*	H	α-helix	trans	-70	-43.2	178.9	-166.8	154.9	-135.4	0	0	111.7	Q170 E172 L176 A177 E178	Q170-E174 PolarHBondContact O-N 3.3Å; E172-E174 VanDerWaalsContact C-N 3.32Å; E172-E174 PolarHBondContact O-N 2.9Å; E174-L176 VanDerWaalsContact C-N 3.34Å; E174-L176 PolarHBondContact O-N 3.47Å; E174-A177 WeakPolarHBondContact O-CB 3.11Å; E174-A177 PolarHBondContact O-N 2.89Å; E174-A177 VanDerWaalsContact O-N 3.12Å; E174-E178 PolarHBondContact O-N 3.29Å
175	R	69.9	Low	57.4	Low	130 Å²	130	115.7 Å²	115.7	49%	0.491	56%	0.556	S	S	.	*	H	α-helix	trans	-55.8	-46.4	170.4	-81.2	-170.8	-78	-81.3	8.4	112.3	D171 E172 A177 E178 E179	D171-R175 WeakPolarHBondContact O-CG 3.24Å; D171-R175 PolarHBondContact O-N 2.73Å; D171-R175 VanDerWaalsContact O-N 3.16Å; D171-R175 PolarHBondContact O-NH1 3.27Å; D171-R175 IonicContact OD2-NH1 3.56Å; E172-R175 PolarHBondContact O-N 3.2Å; E172-R175 IonicContact OE1-CZ 2.83Å; E172-R175 IonicContact OE1-NE 2.65Å; E172-R175 PolarHBondContact OE1-NE 3.28Å; E172-R175 IonicContact OE1-NH2 3.69Å; E172-R175 PolarHBondContact OE1-NH2 3.21Å; R175-A177 PolarHBondContact O-N 3.11Å; R175-E178 PolarHBondContact O-N 3.38Å; R175-E179 PolarHBondContact O-N 3.38Å; R175-E179 VanDerWaalsContact O-N 3.11Å
176	L	68	Low	58.5	Low	91 Å²	91	114.6 Å²	114.6	48%	0.476	55%	0.551	S	S	.	*	H	α-helix	trans	-68.4	-21.2	-179.5	-150.9	85.8	0	0	0	113	E172 E173 E174 K180	E172-L176 WeakPolarHBondContact O-CB 3.38Å; E172-L176 PolarHBondContact O-N 2.9Å; E173-L176 PolarHBondContact O-N 2.71Å; E174-L176 VanDerWaalsContact C-N 3.34Å; E174-L176 PolarHBondContact O-N 3.47Å; L176-K180 WeakPolarHBondContact O-CD 3.44Å; L176-K180 WeakPolarHBondContact O-CG 3.42Å
177	A	57.9	Low	59.6	Low	58 Å²	58	115.8 Å²	115.8	48%	0.479	56%	0.556	S	S	.	*	H	α-helix	trans	-80.6	-43.1	173.6	0	0	0	0	0	112.1	E173 E174 R175 E179 K180 L181	E173-A177 WeakPolarHBondContact O-CB 3.1Å; E173-A177 PolarHBondContact O-N 2.97Å; E174-A177 WeakPolarHBondContact O-CB 3.11Å; E174-A177 PolarHBondContact O-N 2.89Å; E174-A177 VanDerWaalsContact O-N 3.12Å; R175-A177 PolarHBondContact O-N 3.11Å; A177-E179 PolarHBondContact O-N 3.4Å; A177-K180 PolarHBondContact O-N 3.48Å; A177-L181 WeakPolarHBondContact O-CB 3.23Å; A177-L181 PolarHBondContact O-N 2.73Å
178	E	68.4	Low	60.5	Low	130 Å²	130	113.3 Å²	113.3	61%	0.607	55%	0.551	S	S	*	*	H	α-helix	trans	-61.3	-41.8	175.1	-70.4	-158.7	139.9	0	0	112.4	E174 R175 K180 L181 K182	E174-E178 PolarHBondContact O-N 3.29Å; R175-E178 PolarHBondContact O-N 3.38Å; E178-K180 PolarHBondContact O-N 2.81Å; E178-L181 WeakPolarHBondContact O-CB 3.31Å; E178-L181 PolarHBondContact O-N 2.72Å; E178-L181 VanDerWaalsContact O-N 3.15Å; E178-K182 PolarHBondContact O-N 2.83Å
179	E	73.6	Confident	61.2	Low	120 Å²	120	115 Å²	115	56%	0.561	56%	0.555	S	S	*	*	H	α-helix	trans	-66.3	-38.9	-179.1	-162.8	172.5	-125.7	0	0	111.9	R175 A177 L181 K182 Q183	R175-E179 PolarHBondContact O-N 3.38Å; R175-E179 VanDerWaalsContact O-N 3.11Å; A177-E179 PolarHBondContact O-N 3.4Å; E179-L181 VanDerWaalsContact C-N 3.35Å; E179-K182 PolarHBondContact O-N 3.2Å; E179-Q183 WeakPolarHBondContact O-CG 3.21Å; E179-Q183 PolarHBondContact O-N 3.12Å
180	K	71	Confident	61.7	Low	118 Å²	118	114.4 Å²	114.4	51%	0.513	55%	0.551	S	S	.	*	H	α-helix	trans	-66.5	-34.8	171.3	-73.5	170.8	-174	160	0	112.5	L176 A177 E178 Q183 L184	L176-K180 WeakPolarHBondContact O-CD 3.44Å; L176-K180 WeakPolarHBondContact O-CG 3.42Å; A177-K180 PolarHBondContact O-N 3.48Å; E178-K180 PolarHBondContact O-N 2.81Å; K180-Q183 PolarHBondContact O-N 3.31Å; K180-L184 WeakPolarHBondContact O-CG 3.06Å; K180-L184 PolarHBondContact O-N 3.38Å
181	L	59.3	Low	62	Low	99 Å²	99	114.5 Å²	114.5	52%	0.518	55%	0.549	S	S	.	.	H	α-helix	trans	-66.3	-42	176.3	-175.2	61	0	0	0	111.4	A177 E178 E179 L184 Q185	A177-L181 WeakPolarHBondContact O-CB 3.23Å; A177-L181 PolarHBondContact O-N 2.73Å; E178-L181 WeakPolarHBondContact O-CB 3.31Å; E178-L181 PolarHBondContact O-N 2.72Å; E178-L181 VanDerWaalsContact O-N 3.15Å; E179-L181 VanDerWaalsContact C-N 3.35Å; L181-L184 PolarHBondContact O-N 3.25Å; L181-Q185 WeakPolarHBondContact O-CG 3.35Å; L181-Q185 PolarHBondContact O-N 2.78Å
182	K	74.6	Confident	61.5	Low	138 Å²	138	117.6 Å²	117.6	60%	0.6	56%	0.563	S	S	*	*	H	α-helix	trans	-60.1	-47.6	171.5	-82.1	179.9	175.2	170.5	0	112.3	E178 E179 L184 Q185 E186	E178-K182 PolarHBondContact O-N 2.83Å; E179-K182 PolarHBondContact O-N 3.2Å; K182-L184 VanDerWaalsContact C-N 3.26Å; K182-L184 PolarHBondContact O-N 2.85Å; K182-Q185 PolarHBondContact O-N 2.96Å; K182-E186 PolarHBondContact O-N 3.17Å
183	Q	70.4	Confident	60.7	Low	116 Å²	116	117.6 Å²	117.6	54%	0.542	57%	0.57	S	S	.	*	H	α-helix	trans	-58.6	-38.7	177.8	-71.7	175	17.2	0	0	112.1	E179 K180 F187	E179-Q183 WeakPolarHBondContact O-CG 3.21Å; E179-Q183 PolarHBondContact O-N 3.12Å; K180-Q183 PolarHBondContact O-N 3.31Å; Q183-F187 WeakPolarHBondContact O-CB 3.5Å; Q183-F187 PolarHBondContact O-N 2.92Å; Q183-F187 VanDerWaalsContact O-N 3.1Å
184	L	61.3	Low	59.9	Low	122 Å²	122	117.9 Å²	117.9	64%	0.639	57%	0.572	S	S	*	*	H	α-helix	trans	-68.9	-34.1	174.8	-73.6	167.3	0	0	0	113.3	K180 L181 K182 A188	K180-L184 WeakPolarHBondContact O-CG 3.06Å; K180-L184 PolarHBondContact O-N 3.38Å; L181-L184 PolarHBondContact O-N 3.25Å; K182-L184 VanDerWaalsContact C-N 3.26Å; K182-L184 PolarHBondContact O-N 2.85Å; L184-A188 PolarHBondContact O-N 2.85Å
185	Q	61.3	Low	59.2	Low	102 Å²	102	119 Å²	119	48%	0.477	58%	0.577	S	S	.	*	H	α-helix	trans	-69.4	-48.1	175.4	-73.6	169.1	-17.1	0	0	111.4	L181 K182 F187 A188 E189	L181-Q185 WeakPolarHBondContact O-CG 3.35Å; L181-Q185 PolarHBondContact O-N 2.78Å; K182-Q185 PolarHBondContact O-N 2.96Å; Q185-F187 PolarHBondContact O-N 3.13Å; Q185-A188 WeakPolarHBondContact O-CB 3.5Å; Q185-A188 PolarHBondContact O-N 2.51Å; Q185-E189 PolarHBondContact O-N 2.81Å
186	E	63.2	Low	57.4	Low	103 Å²	103	119.5 Å²	119.5	48%	0.481	59%	0.59	S	S	.	*	H	α-helix	trans	-58.5	-36.4	174	-74	-170.4	-154.6	0	0	112.7	K182 A188 E189 K190	K182-E186 PolarHBondContact O-N 3.17Å; E186-A188 VanDerWaalsContact C-N 3.3Å; E186-A188 PolarHBondContact O-N 3.04Å; E186-E189 PolarHBondContact O-N 2.92Å; E186-K190 WeakPolarHBondContact O-CB 3.36Å; E186-K190 WeakPolarHBondContact O-CG 3.49Å; E186-K190 PolarHBondContact O-N 3.04Å; E186-K190 IonicContact OE2-NZ 3.58Å; E186-K190 PolarHBondContact OE2-NZ 3.1Å; E186-K190 VanDerWaalsContact OE2-NZ 3.13Å
187	F	64.3	Low	55.8	Low	161 Å²	161	124.1 Å²	124.1	71%	0.706	61%	0.606	S	S	*	*	H	α-helix	trans	-68.4	-30.2	176.7	-137.3	-81.2	0	0	0	112.3	Q183 Q185 K191	Q183-F187 WeakPolarHBondContact O-CB 3.5Å; Q183-F187 PolarHBondContact O-N 2.92Å; Q183-F187 VanDerWaalsContact O-N 3.1Å; Q185-F187 PolarHBondContact O-N 3.13Å; F187-K191 PolarHBondContact O-N 3.17Å
188	A	56.6	Low	54.5	Low	52 Å²	52	129.1 Å²	129.1	43%	0.43	62%	0.624	S	S	.	*	H	α-helix	trans	-74.9	-42.9	174.1	0	0	0	0	0	111.8	L184 Q185 E186 K191 M192	L184-A188 PolarHBondContact O-N 2.85Å; Q185-A188 WeakPolarHBondContact O-CB 3.5Å; Q185-A188 PolarHBondContact O-N 2.51Å; E186-A188 VanDerWaalsContact C-N 3.3Å; E186-A188 PolarHBondContact O-N 3.04Å; A188-K191 WeakPolarHBondContact O-CB 3.3Å; A188-K191 PolarHBondContact O-N 2.7Å; A188-K191 VanDerWaalsContact O-N 3.17Å; A188-M192 PolarHBondContact O-N 3.29Å
189	E	58.1	Low	52.8	Low	135 Å²	135	128.8 Å²	128.8	63%	0.631	63%	0.632	S	S	*	*	H	α-helix	trans	-66.4	-40.7	179.1	-69.7	-178.1	169	0	0	112.7	Q185 E186 K191 M192 T193	Q185-E189 PolarHBondContact O-N 2.81Å; E186-E189 PolarHBondContact O-N 2.92Å; E189-K191 VanDerWaalsContact C-N 3.27Å; E189-K191 PolarHBondContact O-N 2.88Å; E189-M192 PolarHBondContact O-N 3.11Å; E189-T193 PolarHBondContact O-N 2.96Å; E189-T193 VanDerWaalsContact O-N 3.12Å; E189-T193 PolarHBondContact O-OG1 3.38Å
190	K	55.1	Low	50.8	Low	120 Å²	120	131.9 Å²	131.9	52%	0.522	65%	0.645	S	S	.	*	H	α-helix	trans	-58.4	-39.1	170.6	-77.6	164.7	-179.2	147.7	0	111.6	E186 T193 E194	E186-K190 WeakPolarHBondContact O-CB 3.36Å; E186-K190 WeakPolarHBondContact O-CG 3.49Å; E186-K190 PolarHBondContact O-N 3.04Å; E186-K190 IonicContact OE2-NZ 3.58Å; E186-K190 PolarHBondContact OE2-NZ 3.1Å; E186-K190 VanDerWaalsContact OE2-NZ 3.13Å; K190-T193 WeakPolarHBondContact CA-OG1 3.31Å; K190-T193 PolarHBondContact O-N 3.19Å; K190-T193 PolarHBondContact O-OG1 3Å; K190-E194 PolarHBondContact O-N 2.57Å
191	K	48	Very low	48.8	Very low	131 Å²	131	132.1 Å²	132.1	57%	0.57	66%	0.662	S	S	*	*	H	α-helix	trans	-69.5	-37.2	177.4	-137.9	-179.6	-176	-169.1	0	113.3	F187 A188 E189 T193 E194	F187-K191 PolarHBondContact O-N 3.17Å; A188-K191 WeakPolarHBondContact O-CB 3.3Å; A188-K191 PolarHBondContact O-N 2.7Å; A188-K191 VanDerWaalsContact O-N 3.17Å; E189-K191 VanDerWaalsContact C-N 3.27Å; E189-K191 PolarHBondContact O-N 2.88Å; K191-T193 VanDerWaalsContact C-N 3.26Å; K191-T193 PolarHBondContact O-N 3.26Å; K191-E194 PolarHBondContact O-N 2.95Å
192	M	43.2	Very low	47.5	Very low	141 Å²	141	132.7 Å²	132.7	70%	0.695	68%	0.675	S	S	*	*	H	α-helix	trans	-70.5	-18.1	175	-73.6	-173.1	167.1	0	0	113.8	A188 E189	A188-M192 PolarHBondContact O-N 3.29Å; E189-M192 PolarHBondContact O-N 3.11Å
193	T	39.3	Very low	45.9	Very low	110 Å²	110	132.7 Å²	132.7	68%	0.675	69%	0.688	S	S	*	*	H	α-helix	trans	-86.4	-20.5	174.8	24.9	0	0	0	0	113.6	E189 K190 K191	E189-T193 PolarHBondContact O-N 2.96Å; E189-T193 VanDerWaalsContact O-N 3.12Å; E189-T193 PolarHBondContact O-OG1 3.38Å; K190-T193 WeakPolarHBondContact CA-OG1 3.31Å; K190-T193 PolarHBondContact O-N 3.19Å; K190-T193 PolarHBondContact O-OG1 3Å; K191-T193 VanDerWaalsContact C-N 3.26Å; K191-T193 PolarHBondContact O-N 3.26Å
194	E	39.8	Very low	44	Very low	161 Å²	161	132 Å²	132	75%	0.752	70%	0.696	S	S	*	*	H	α-helix	trans	-80.7	-34.3	174.3	-68.5	-175	143.8	0	0	113.2	K190 K191 N196	K190-E194 PolarHBondContact O-N 2.57Å; K191-E194 PolarHBondContact O-N 2.95Å; E194-N196 VanDerWaalsContact C-N 3.26Å; E194-N196 PolarHBondContact O-N 3.11Å
195	E	39.2	Very low	43.2	Very low	160 Å²	160	132.3 Å²	132.3	75%	0.748	71%	0.709	S	S	*	*	S	Bend	trans	-77.1	-3.1	-176.4	-68	-174.7	163.3	0	0	114.7	K197	E195-K197 PolarHBondContact O-N 3.01Å
196	N	32.9	Very low	42.1	Very low	142 Å²	142	132 Å²	132	76%	0.759	72%	0.718	S	S	*	*			trans	-99.6	26.3	-168.7	-127.5	-18.9	0	0	0	114.8	E194	E194-N196 VanDerWaalsContact C-N 3.26Å; E194-N196 PolarHBondContact O-N 3.11Å
197	K	33.8	Very low	41.4	Very low	188 Å²	188	132.4 Å²	132.4	82%	0.817	73%	0.729	S	S	*	*			trans	-129.2	89.5	169.7	-79.8	-173	176.7	179.1	0	111.4	E195	E195-K197 PolarHBondContact O-N 3.01Å
198	D	30.5	Very low	41.1	Very low	162 Å²	162	126.9 Å²	126.9	87%	0.866	71%	0.713	S	S	*	*				178.3	142.3	123.8	-89.8	-15.9	0	0	0	109.9
199	T	32.2	Very low	41.9	Very low	124 Å²	124	133.1 Å²	133.1	76%	0.761	73%	0.731	S	S	*	*			trans	-130.4	154.6	-173.1	42.2	0	0	0	0	113.9
200	H	32.5	Very low	42.8	Very low	184 Å²	184	128.8 Å²	128.8	85%	0.852	72%	0.718	S	S	*	*			trans	69.2	109.1	169.5	-62	-69.9	0	0	0	119.5
201	S	29.1	Very low	44	Very low	124 Å²	124	124.9 Å²	124.9	87%	0.867	71%	0.705	S	S	*	*			trans	-147	152	131.5	51.5	0	0	0	0	110.6
202	S	32.3	Very low	45.5	Very low	111 Å²	111	127.2 Å²	127.2	78%	0.776	72%	0.72	S	S	*	*			trans	-84.5	160.7	-173.5	-58.7	0	0	0	0	112.5	S204	S202-S204 PolarHBondContact O-N 3.3Å
203	P	40.5	Very low	47.6	Very low	137 Å²	137	128.7 Å²	128.7	89%	0.89	72%	0.723	S	S	*	*			trans	-75.8	122.9	-162.4	28.9	-35.1	0	0	0	113.8
204	S	30.5	Very low	50.2	Low	102 Å²	102	126.3 Å²	126.3	71%	0.713	71%	0.711	S	S	*	*			trans	-106.5	150.9	155.1	62.5	0	0	0	0	109.8	S202 S206	S202-S204 PolarHBondContact O-N 3.3Å; S204-S206 VanDerWaalsContact C-N 3.32Å; S204-S206 PolarHBondContact O-N 3.42Å
205	S	45.1	Very low	52.8	Low	129 Å²	129	120.6 Å²	120.6	90%	0.902	69%	0.688	S	S	*	*			trans	-72.4	81.2	-175.5	56.8	0	0	0	0	111.7
206	S	38.1	Very low	55.5	Low	94 Å²	94	115.8 Å²	115.8	66%	0.657	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-74.9	141.1	176.6	52.4	0	0	0	0	111.6	S204	S204-S206 VanDerWaalsContact C-N 3.32Å; S204-S206 PolarHBondContact O-N 3.42Å
207	P	48.9	Very low	58.5	Low	112 Å²	112	113.5 Å²	113.5	73%	0.727	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-67.5	138.6	179.3	27.6	-34.3	0	0	0	110.8	K209	P207-K209 PolarHBondContact O-N 3.08Å; P207-K209 VanDerWaalsContact O-N 3.13Å
208	A	57.8	Low	61.4	Low	45 Å²	45	110.4 Å²	110.4	37%	0.372	64%	0.637	S	S	.	*	P	Polyproline II helix	trans	-50	119.2	-178.3	0	0	0	0	0	111.8	A210	A208-A210 PolarHBondContact O-N 3.07Å
209	K	72.3	Confident	64.4	Low	184 Å²	184	105.6 Å²	105.6	80%	0.8	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-62.7	126.8	-177.4	-68.9	-179.9	178.6	177	0	109.3	P207	P207-K209 PolarHBondContact O-N 3.08Å; P207-K209 VanDerWaalsContact O-N 3.13Å
210	A	77.7	Confident	67.2	Low	43 Å²	43	102.3 Å²	102.3	36%	0.355	60%	0.604	S	S	.	*	P	Polyproline II helix	trans	-75	143.6	177.9	0	0	0	0	0	111.2	A208 M212 V230 K231	A208-A210 PolarHBondContact O-N 3.07Å; A210-M212 PolarHBondContact O-N 3.19Å; A210-V230 WeakPolarHBondContact CA-O 3.28Å; A210-K231 HydrophobicContact CB-CG 3.91Å
211	C	79.6	Confident	70.1	Confident	38 Å²	38	97 Å²	97	26%	0.257	58%	0.582	S	S	.	*	P	Polyproline II helix	trans	-61.5	120	173.5	-168.5	0	0	0	0	110.1	K213 I226 A228 G229 V230	C211-K213 PolarHBondContact SG-O 3.09Å; C211-K213 VanDerWaalsContact SG-O 3.36Å; C211-I226 HydrophobicContact CB-CG2 3.97Å; C211-A228 CarbonylContact O-C 3.59Å; C211-A228 WeakPolarHBondContact O-CA 3.31Å; C211-G229 PolarHBondContact O-N 3.45Å; C211-V230 PolarHBondContact N-O 3.11Å
212	M	80.3	Confident	73.4	Confident	180 Å²	180	91.1 Å²	91.1	89%	0.887	54%	0.541	S	S	*	.			trans	-82.4	-20.3	-170.5	-69.5	-172.8	132.7	0	0	114.8	A210	A210-M212 PolarHBondContact O-N 3.19Å
213	K	87.9	Confident	76.5	Confident	173 Å²	173	86 Å²	86	75%	0.752	51%	0.505	S	S	*	.	S	Bend	trans	-143	137.6	-179.9	-67.5	-175.9	179.1	179	0	109.6	C211	C211-K213 PolarHBondContact SG-O 3.09Å; C211-K213 VanDerWaalsContact SG-O 3.36Å
214	S	93.3	Very high	79.1	Confident	59 Å²	59	79.8 Å²	79.8	41%	0.413	46%	0.464	S	S	.	.			trans	-62.4	140.7	172.7	-63.7	0	0	0	0	110.9	Y225 I226 A228	S214-Y225 VanDerWaalsContact CB-OH 3.28Å; S214-Y225 WeakPolarHBondContact CB-OH 3.16Å; S214-Y225 PolarHBondContact OG-OH 2.85Å; S214-I226 CarbonylContact C-O 3.52Å; S214-I226 WeakPolarHBondContact CA-O 3.48Å; S214-A228 PolarHBondContact OG-N 2.78Å
215	S	94.2	Very high	82.3	Confident	41 Å²	41	76 Å²	76	29%	0.287	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	143.6	178.9	57.1	0	0	0	0	113.2	Y225 I226	S215-Y225 WeakPolarHBondContact O-CA 3.07Å; S215-Y225 WeakPolarHBondContact O-CD2 3.41Å; S215-I226 PolarHBondContact N-O 2.61Å; S215-I226 PolarHBondContact O-N 3.46Å
216	W	96.9	Very high	84.8	Confident	59 Å²	59	71 Å²	71	22%	0.223	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	142	163.6	-79.6	99.1	0	0	0	110.5	L223 F224 Y225 K302 V305 E306 V320	W216-L223 HydrophobicContact CE3-CB 4.39Å; W216-L223 HydrophobicContact CZ3-CB 4.22Å; W216-F224 CarbonylContact C-O 3.04Å; W216-F224 WeakPolarHBondContact CA-O 3.13Å; W216-Y225 AromaticContact CD1-CD2 3.6Å; W216-Y225 AromaticContact CD1-CE2 3.92Å; W216-Y225 AromaticContact CD2-CD2 3.74Å; W216-Y225 HydrophobicContact CD2-CD2 3.74Å; W216-Y225 HydrophobicContact CD2-CG 4.34Å; W216-Y225 AromaticContact CE2-CD2 3.4Å; W216-Y225 VanDerWaalsContact CE2-CD2 3.4Å; W216-Y225 AromaticContact CG-CD2 3.84Å; W216-Y225 HydrophobicContact CG-CD2 3.84Å; W216-Y225 AromaticContact CZ2-CD2 3.91Å; W216-Y225 HydrophobicContact CZ2-CD2 3.91Å; W216-Y225 HydrophobicContact CZ2-CG 4.11Å; W216-Y225 AromaticContact NE1-CD2 3.32Å; W216-Y225 VanDerWaalsContact NE1-CD2 3.32Å; W216-Y225 AromaticContact NE1-CE2 3.62Å; W216-K302 HydrophobicContact CD2-CB 4.32Å; W216-K302 HydrophobicContact CD2-CD 4.06Å; W216-K302 HydrophobicContact CD2-CG 3.77Å; W216-K302 HydrophobicContact CE3-CD 4.48Å; W216-K302 HydrophobicContact CE3-CG 4.03Å; W216-K302 HydrophobicContact CG-CD 4.21Å; W216-K302 HydrophobicContact CG-CG 4.41Å; W216-K302 HydrophobicContact CH2-CB 4.33Å; W216-K302 HydrophobicContact CH2-CG 4Å; W216-K302 VanDerWaalsContact CZ2-CA 3.5Å; W216-K302 HydrophobicContact CZ2-CB 3.66Å; W216-K302 HydrophobicContact CZ2-CG 3.74Å; W216-K302 HydrophobicContact CZ3-CG 4.14Å; W216-V305 HydrophobicContact CH2-CB 4.08Å; W216-V305 HydrophobicContact CH2-CG1 4.02Å; W216-V305 HydrophobicContact CH2-CG2 4.31Å; W216-V305 HydrophobicContact CZ2-CB 4.01Å; W216-V305 HydrophobicContact CZ2-CG1 4.02Å; W216-E306 VanDerWaalsContact CD1-OE1 3.31Å; W216-E306 PolarHBondContact NE1-OE1 2.93Å; W216-V320 HydrophobicContact CZ3-CG2 4.34Å
217	Q	95.3	Very high	87.5	Confident	94 Å²	94	66.9 Å²	66.9	44%	0.439	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	159.8	174.1	-60.7	-176.1	37.5	0	0	109.9	L223 F224	Q217-L223 WeakPolarHBondContact O-CA 3.45Å; Q217-F224 HydrophobicContact CB-CD1 4.11Å; Q217-F224 HydrophobicContact CB-CD2 4.11Å; Q217-F224 HydrophobicContact CB-CE1 3.66Å; Q217-F224 HydrophobicContact CB-CE2 3.66Å; Q217-F224 HydrophobicContact CB-CG 4.33Å; Q217-F224 HydrophobicContact CB-CZ 3.43Å; Q217-F224 VanDerWaalsContact CB-CZ 3.43Å; Q217-F224 HydrophobicContact CG-CE2 4.04Å; Q217-F224 HydrophobicContact CG-CZ 4.12Å; Q217-F224 PolarHBondContact N-O 2.9Å; Q217-F224 PolarHBondContact O-N 2.98Å; Q217-F224 VanDerWaalsContact OE1-CZ 3.23Å
218	Q	94.9	Very high	89.6	Confident	124 Å²	124	63.7 Å²	63.7	58%	0.579	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139	142.1	-179.7	176.5	162.9	3	0	0	111.1	G220 L222 L223	Q218-G220 PolarHBondContact NE2-O 2.88Å; Q218-G220 VanDerWaalsContact NE2-O 3.13Å; Q218-L222 CarbonylContact C-O 3.59Å; Q218-L222 WeakPolarHBondContact CA-O 3.44Å; Q218-L223 HydrophobicContact CB-CD2 3.83Å; Q218-L223 HydrophobicContact CG-CD2 3.66Å
219	T	93.1	Very high	91.3	Very high	61 Å²	61	63.3 Å²	63.3	37%	0.374	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	91.7	173.1	-54.5	0	0	0	0	109	N221 L222	T219-N221 PolarHBondContact O-N 3.43Å; T219-L222 PolarHBondContact N-O 3.48Å; T219-L222 PolarHBondContact O-N 3.02Å; T219-L222 VanDerWaalsContact O-N 3.14Å
220	G	91.6	Very high	92.4	Very high	54 Å²	54	55.1 Å²	55.1	56%	0.557	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	60	-119.9	-174.5	0	0	0	0	0	112.3	Q218 L222	Q218-G220 PolarHBondContact NE2-O 2.88Å; Q218-G220 VanDerWaalsContact NE2-O 3.13Å; G220-L222 PolarHBondContact O-N 3.31Å
221	N	93.8	Very high	93.2	Very high	73 Å²	73	58.6 Å²	58.6	39%	0.39	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	12.4	178.8	-69.5	-2.9	0	0	0	114.1	T219 S322 P324 Y327	T219-N221 PolarHBondContact O-N 3.43Å; N221-S322 PolarHBondContact O-N 2.85Å; N221-S322 PolarHBondContact O-OG 3.05Å; N221-S322 VanDerWaalsContact O-OG 3.07Å; N221-P324 PolarHBondContact ND2-O 3.16Å; N221-Y327 HydrophobicContact CB-CD2 4.43Å
222	L	97.3	Very high	94	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	126.5	171.9	-176.7	64.1	0	0	0	110.1	Q218 T219 G220 F224 F319 Y327 M334 H337	Q218-L222 CarbonylContact C-O 3.59Å; Q218-L222 WeakPolarHBondContact CA-O 3.44Å; T219-L222 PolarHBondContact N-O 3.48Å; T219-L222 PolarHBondContact O-N 3.02Å; T219-L222 VanDerWaalsContact O-N 3.14Å; G220-L222 PolarHBondContact O-N 3.31Å; L222-F224 HydrophobicContact CD2-CD1 4.05Å; L222-F224 HydrophobicContact CG-CD1 4.2Å; L222-F319 HydrophobicContact CD1-CB 4.28Å; L222-F319 HydrophobicContact CD1-CD1 4.26Å; L222-F319 HydrophobicContact CD2-CD1 4.23Å; L222-Y327 HydrophobicContact CB-CD1 4.04Å; L222-Y327 HydrophobicContact CB-CD2 3.86Å; L222-Y327 HydrophobicContact CB-CE1 4.1Å; L222-Y327 HydrophobicContact CB-CE2 3.88Å; L222-Y327 HydrophobicContact CB-CG 3.94Å; L222-Y327 HydrophobicContact CD1-CD1 4.17Å; L222-Y327 HydrophobicContact CD1-CG 4.37Å; L222-Y327 HydrophobicContact CD2-CD1 3.96Å; L222-Y327 HydrophobicContact CD2-CE1 3.7Å; L222-Y327 HydrophobicContact CG-CD1 4.29Å; L222-Y327 HydrophobicContact CG-CE1 4.39Å; L222-M334 HydrophobicContact CD1-CG 3.73Å; L222-M334 HydrophobicContact CD1-SD 4.14Å; L222-H337 HydrophobicContact CD2-CB 4.04Å; L222-H337 WeakPolarHBondContact CD2-ND1 3.3Å
223	L	97.4	Very high	94.8	Very high	4 Å²	4	49.1 Å²	49.1	2%	0.021	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	146	156.5	-48.1	170.7	0	0	0	107.7	W216 Q217 Q218 I291 P298 V320	W216-L223 HydrophobicContact CE3-CB 4.39Å; W216-L223 HydrophobicContact CZ3-CB 4.22Å; Q217-L223 WeakPolarHBondContact O-CA 3.45Å; Q218-L223 HydrophobicContact CB-CD2 3.83Å; Q218-L223 HydrophobicContact CG-CD2 3.66Å; L223-I291 HydrophobicContact CD1-CD1 4.2Å; L223-P298 HydrophobicContact CD1-CB 4.3Å; L223-V320 HydrophobicContact CB-CB 4.12Å; L223-V320 PolarHBondContact N-O 3.4Å; L223-V320 PolarHBondContact O-N 3.04Å
224	F	96.1	Very high	95.3	Very high	7 Å²	7	43.9 Å²	43.9	3%	0.031	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	152.4	168.9	63.2	-84.2	0	0	0	112.7	W216 Q217 L222 I226 V318 F319 H337	W216-F224 CarbonylContact C-O 3.04Å; W216-F224 WeakPolarHBondContact CA-O 3.13Å; Q217-F224 HydrophobicContact CB-CD1 4.11Å; Q217-F224 HydrophobicContact CB-CD2 4.11Å; Q217-F224 HydrophobicContact CB-CE1 3.66Å; Q217-F224 HydrophobicContact CB-CE2 3.66Å; Q217-F224 HydrophobicContact CB-CG 4.33Å; Q217-F224 HydrophobicContact CB-CZ 3.43Å; Q217-F224 VanDerWaalsContact CB-CZ 3.43Å; Q217-F224 HydrophobicContact CG-CE2 4.04Å; Q217-F224 HydrophobicContact CG-CZ 4.12Å; Q217-F224 PolarHBondContact N-O 2.9Å; Q217-F224 PolarHBondContact O-N 2.98Å; Q217-F224 VanDerWaalsContact OE1-CZ 3.23Å; L222-F224 HydrophobicContact CD2-CD1 4.05Å; L222-F224 HydrophobicContact CG-CD1 4.2Å; F224-I226 HydrophobicContact CD2-CG1 4.28Å; F224-I226 HydrophobicContact CE2-CD1 4.32Å; F224-V318 CarbonylContact C-O 2.96Å; F224-V318 WeakPolarHBondContact CA-O 3.41Å; F224-V318 VanDerWaalsContact CB-O 3.26Å; F224-V318 WeakPolarHBondContact CB-O 3.47Å; F224-F319 HydrophobicContact CB-CD1 3.59Å; F224-F319 HydrophobicContact CB-CE1 3.87Å; F224-F319 HydrophobicContact CB-CG 4.26Å; F224-F319 HydrophobicContact CD2-CE1 4.34Å; F224-F319 HydrophobicContact CG-CD1 4.22Å; F224-F319 HydrophobicContact CG-CE1 4.08Å; F224-H337 AromaticContact CE1-CE1 3.91Å; F224-H337 AromaticContact CE1-NE2 3.41Å; F224-H337 WeakPolarHBondContact CE1-NE2 3.48Å; F224-H337 AromaticContact CZ-NE2 3.6Å
225	Y	97.4	Very high	95.5	Very high	22 Å²	22	43.9 Å²	43.9	9%	0.086	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	136.7	178.3	-176.4	-102.2	0	0	0	109.6	S214 S215 W216 A227 E306 L309 Q317 V318	S214-Y225 VanDerWaalsContact CB-OH 3.28Å; S214-Y225 WeakPolarHBondContact CB-OH 3.16Å; S214-Y225 PolarHBondContact OG-OH 2.85Å; S215-Y225 WeakPolarHBondContact O-CA 3.07Å; S215-Y225 WeakPolarHBondContact O-CD2 3.41Å; W216-Y225 AromaticContact CD1-CD2 3.6Å; W216-Y225 AromaticContact CD1-CE2 3.92Å; W216-Y225 AromaticContact CD2-CD2 3.74Å; W216-Y225 HydrophobicContact CD2-CD2 3.74Å; W216-Y225 HydrophobicContact CD2-CG 4.34Å; W216-Y225 AromaticContact CE2-CD2 3.4Å; W216-Y225 VanDerWaalsContact CE2-CD2 3.4Å; W216-Y225 AromaticContact CG-CD2 3.84Å; W216-Y225 HydrophobicContact CG-CD2 3.84Å; W216-Y225 AromaticContact CZ2-CD2 3.91Å; W216-Y225 HydrophobicContact CZ2-CD2 3.91Å; W216-Y225 HydrophobicContact CZ2-CG 4.11Å; W216-Y225 AromaticContact NE1-CD2 3.32Å; W216-Y225 VanDerWaalsContact NE1-CD2 3.32Å; W216-Y225 AromaticContact NE1-CE2 3.62Å; Y225-A227 HydrophobicContact CD1-CB 4.4Å; Y225-A227 HydrophobicContact CE1-CB 3.84Å; Y225-E306 HydrophobicContact CE2-CG 3.99Å; Y225-E306 WeakPolarHBondContact CE2-OE1 3.32Å; Y225-L309 HydrophobicContact CD1-CD1 3.71Å; Y225-L309 HydrophobicContact CE1-CD1 3.61Å; Y225-Q317 CarbonylContact O-C 3.55Å; Y225-Q317 WeakPolarHBondContact O-CA 3.48Å; Y225-Q317 WeakPolarHBondContact O-CG 3.41Å; Y225-V318 PolarHBondContact N-O 3.28Å; Y225-V318 PolarHBondContact O-N 3.27Å
226	I	96.3	Very high	95.7	Very high	25 Å²	25	42 Å²	42	13%	0.128	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	116.3	169.7	-48.3	-176.5	0	0	0	106.3	C211 S214 S215 F224 V230 Q317	C211-I226 HydrophobicContact CB-CG2 3.97Å; S214-I226 CarbonylContact C-O 3.52Å; S214-I226 WeakPolarHBondContact CA-O 3.48Å; S215-I226 PolarHBondContact N-O 2.61Å; S215-I226 PolarHBondContact O-N 3.46Å; F224-I226 HydrophobicContact CD2-CG1 4.28Å; F224-I226 HydrophobicContact CE2-CD1 4.32Å; I226-V230 HydrophobicContact CG2-CB 3.96Å; I226-V230 HydrophobicContact CG2-CG1 4.12Å; I226-V230 HydrophobicContact CG2-CG2 4.37Å; I226-Q317 HydrophobicContact CG1-CG 4.24Å
227	A	95.7	Very high	95.8	Very high	7 Å²	7	39.1 Å²	39.1	6%	0.058	23%	0.226	C	C	.	.			trans	-72.8	149	173.1	0	0	0	0	0	111.3	Y225 V230 V316	Y225-A227 HydrophobicContact CD1-CB 4.4Å; Y225-A227 HydrophobicContact CE1-CB 3.84Å; A227-V230 HydrophobicContact CB-CG2 4.05Å; A227-V230 WeakPolarHBondContact O-CB 3.48Å; A227-V230 VanDerWaalsContact O-CG2 3.23Å; A227-V230 WeakPolarHBondContact O-CG2 3.48Å; A227-V230 PolarHBondContact O-N 3.07Å; A227-V316 VanDerWaalsContact CB-O 3.26Å; A227-V316 WeakPolarHBondContact CB-O 3.28Å; A227-V316 PolarHBondContact N-O 3.32Å
228	A	93.6	Very high	96	Very high	45 Å²	45	34.7 Å²	34.7	37%	0.372	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	141.4	166.9	0	0	0	0	0	110.9	C211 S214 V230	C211-A228 CarbonylContact O-C 3.59Å; C211-A228 WeakPolarHBondContact O-CA 3.31Å; S214-A228 PolarHBondContact OG-N 2.78Å; A228-V230 VanDerWaalsContact C-N 3.32Å; A228-V230 PolarHBondContact O-N 2.92Å
229	G	93.1	Very high	96.2	Very high	37 Å²	37	28.8 Å²	28.8	38%	0.381	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.3	-8.4	-176.9	0	0	0	0	0	115.5	C211	C211-G229 PolarHBondContact O-N 3.45Å
230	V	95	Very high	96.4	Very high	11 Å²	11	26.3 Å²	26.3	7%	0.067	16%	0.162	C	C	.	.			trans	-61.7	140.6	170.7	171.8	0	0	0	0	109.9	A210 C211 I226 A227 A228 P315 Q317	A210-V230 WeakPolarHBondContact CA-O 3.28Å; C211-V230 PolarHBondContact N-O 3.11Å; I226-V230 HydrophobicContact CG2-CB 3.96Å; I226-V230 HydrophobicContact CG2-CG1 4.12Å; I226-V230 HydrophobicContact CG2-CG2 4.37Å; A227-V230 HydrophobicContact CB-CG2 4.05Å; A227-V230 WeakPolarHBondContact O-CB 3.48Å; A227-V230 VanDerWaalsContact O-CG2 3.23Å; A227-V230 WeakPolarHBondContact O-CG2 3.48Å; A227-V230 PolarHBondContact O-N 3.07Å; A228-V230 VanDerWaalsContact C-N 3.32Å; A228-V230 PolarHBondContact O-N 2.92Å; V230-P315 HydrophobicContact CG2-CB 3.94Å; V230-Q317 HydrophobicContact CG1-CB 4.44Å
231	K	94.7	Very high	96.7	Very high	116 Å²	116	23.8 Å²	23.8	50%	0.504	14%	0.135	S	C	.	.			trans	-125.8	154.9	174.2	-62.6	178.3	-179.3	-178.6	0	109.5	A210 K281	A210-K231 HydrophobicContact CB-CG 3.91Å; K231-K281 WeakPolarHBondContact O-CD 3.4Å; K231-K281 VanDerWaalsContact O-CE 3.29Å; K231-K281 WeakPolarHBondContact O-CE 3.24Å; K231-K281 WeakPolarHBondContact O-CG 3.45Å
232	A	96.1	Very high	96.8	Very high	11 Å²	11	23.2 Å²	23.2	9%	0.091	13%	0.132	C	C	.	.			trans	-60.9	153.8	161.6	0	0	0	0	0	112	N343 D344 L346	A232-N343 WeakPolarHBondContact CA-OD1 3.29Å; A232-N343 VanDerWaalsContact CB-O 3.3Å; A232-N343 WeakPolarHBondContact CB-O 3.46Å; A232-D344 HydrophobicContact CB-CB 3.82Å; A232-D344 VanDerWaalsContact CB-OD2 3.29Å; A232-D344 WeakPolarHBondContact CB-OD2 3.45Å; A232-D344 PolarHBondContact N-OD2 3.14Å; A232-L346 HydrophobicContact CB-CB 4.22Å; A232-L346 HydrophobicContact CB-CD2 4.19Å
233	S	97.8	Very high	96.7	Very high	9 Å²	9	24.1 Å²	24.1	6%	0.063	14%	0.141	C	C	.	.			trans	-151.5	152.5	172	-177.5	0	0	0	0	110.2	K235 G279 N343	S233-K235 PolarHBondContact OG-N 3.41Å; S233-K235 PolarHBondContact OG-O 2.94Å; S233-G279 WeakPolarHBondContact CB-O 3.12Å; S233-G279 PolarHBondContact OG-O 3.13Å; S233-N343 PolarHBondContact N-OD1 2.91Å; S233-N343 PolarHBondContact O-ND2 3.35Å
234	D	97.4	Very high	96.7	Very high	63 Å²	63	23.9 Å²	23.9	34%	0.337	14%	0.14	S	C	.	.	S	Bend	trans	-70.1	-18.9	165.6	64.3	-39.6	0	0	0	111.8	A347 V348 D349	D234-A347 WeakPolarHBondContact CA-O 3.19Å; D234-V348 CarbonylContact O-C 3.59Å; D234-V348 WeakPolarHBondContact O-CA 3.28Å; D234-D349 PolarHBondContact O-N 3.15Å
235	K	98.1	Very high	96.8	Very high	59 Å²	59	23.6 Å²	23.6	26%	0.257	14%	0.139	S	C	.	.			trans	-116	113.1	-173.9	-64.3	171.6	-160.4	-176	0	110.8	S233 Y280 K281 Q352	S233-K235 PolarHBondContact OG-N 3.41Å; S233-K235 PolarHBondContact OG-O 2.94Å; K235-Y280 HydrophobicContact CB-CD1 3.76Å; K235-Y280 HydrophobicContact CB-CD2 4.47Å; K235-Y280 HydrophobicContact CB-CE1 3.93Å; K235-Y280 HydrophobicContact CB-CG 4.06Å; K235-Y280 HydrophobicContact CD-CE2 4.49Å; K235-Y280 CarbonylContact O-C 3.58Å; K235-Y280 VanDerWaalsContact O-CA 3.31Å; K235-Y280 WeakPolarHBondContact O-CA 3.34Å; K235-K281 PolarHBondContact O-N 3.49Å; K235-Q352 HydrophobicContact CD-CB 4.09Å; K235-Q352 HydrophobicContact CG-CB 3.77Å
236	I	98.6	Very high	96.9	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	125.6	178.7	-51.3	-57.2	0	0	0	110	K281 V283 W335 L338 V348 S353 F354	I236-K281 HydrophobicContact CD1-CB 3.89Å; I236-K281 HydrophobicContact CD1-CD 3.87Å; I236-K281 HydrophobicContact CD1-CG 4.35Å; I236-V283 HydrophobicContact CG2-CB 4.15Å; I236-V283 HydrophobicContact CG2-CG2 3.83Å; I236-W335 HydrophobicContact CB-CH2 3.78Å; I236-W335 HydrophobicContact CB-CZ3 3.92Å; I236-W335 HydrophobicContact CG1-CH2 3.88Å; I236-W335 HydrophobicContact CG1-CZ3 4.26Å; I236-W335 HydrophobicContact CG2-CH2 4.12Å; I236-W335 HydrophobicContact CG2-CZ3 3.71Å; I236-L338 HydrophobicContact CD1-CD2 4.11Å; I236-L338 HydrophobicContact CG1-CD2 4.08Å; I236-L338 HydrophobicContact CG2-CD2 3.98Å; I236-V348 HydrophobicContact CB-CG1 4.43Å; I236-V348 HydrophobicContact CD1-CG2 4.09Å; I236-V348 HydrophobicContact CG1-CB 4.37Å; I236-V348 HydrophobicContact CG1-CG1 3.6Å; I236-V348 HydrophobicContact CG1-CG2 3.76Å; I236-S353 PolarHBondContact N-OG 3.23Å; I236-S353 VanDerWaalsContact O-CA 3.26Å; I236-S353 WeakPolarHBondContact O-CA 3.48Å; I236-S353 VanDerWaalsContact O-CB 3.27Å; I236-S353 WeakPolarHBondContact O-CB 3.43Å; I236-F354 PolarHBondContact O-N 2.99Å
237	A	98.8	Very high	96.9	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	100.2	164.6	0	0	0	0	0	108.1	F239 L275 Y280 K281 V282 V283 F354	A237-F239 HydrophobicContact CB-CE2 3.75Å; A237-F239 HydrophobicContact CB-CZ 4.19Å; A237-F239 WeakPolarHBondContact O-CD2 3.43Å; A237-F239 VanDerWaalsContact O-CE2 3.27Å; A237-F239 WeakPolarHBondContact O-CE2 3.23Å; A237-L275 HydrophobicContact CB-CD1 3.75Å; A237-L275 HydrophobicContact CB-CD2 4.24Å; A237-L275 HydrophobicContact CB-CG 4.45Å; A237-Y280 HydrophobicContact CB-CD1 3.91Å; A237-Y280 HydrophobicContact CB-CG 4.41Å; A237-K281 PolarHBondContact N-O 3.35Å; A237-V282 WeakPolarHBondContact O-CA 3.33Å; A237-V283 PolarHBondContact O-N 3.45Å; A237-F354 HydrophobicContact CB-CE1 3.83Å; A237-F354 HydrophobicContact CB-CE2 4.08Å; A237-F354 HydrophobicContact CB-CZ 3.5Å; A237-F354 VanDerWaalsContact CB-CZ 3.5Å
238	G	98.7	Very high	96.9	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	142.4	-177.6	0	0	0	0	0	112.8	V283 F354 Y355 V356	G238-V283 CarbonylContact C-O 3.43Å; G238-V283 VanDerWaalsContact CA-O 3.22Å; G238-V283 WeakPolarHBondContact CA-O 3.5Å; G238-F354 PolarHBondContact N-O 3.3Å; G238-Y355 CarbonylContact O-C 3.57Å; G238-Y355 WeakPolarHBondContact O-CA 3.32Å; G238-Y355 WeakPolarHBondContact O-CD2 3.43Å; G238-V356 PolarHBondContact O-N 2.77Å
239	F	98.9	Very high	96.9	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	154.2	178.7	-57.1	-95.6	0	0	0	112	A237 I245 L272 L275 V282 V283 F284 F285 F354 Y355 V356 Y396 F397	A237-F239 HydrophobicContact CB-CE2 3.75Å; A237-F239 HydrophobicContact CB-CZ 4.19Å; A237-F239 WeakPolarHBondContact O-CD2 3.43Å; A237-F239 VanDerWaalsContact O-CE2 3.27Å; A237-F239 WeakPolarHBondContact O-CE2 3.23Å; F239-I245 HydrophobicContact CB-CD1 4.15Å; F239-I245 HydrophobicContact CB-CG1 4.05Å; F239-I245 HydrophobicContact CD1-CD1 4.04Å; F239-I245 HydrophobicContact CG-CD1 4.11Å; F239-L272 HydrophobicContact CD2-CD2 4.02Å; F239-L272 HydrophobicContact CE1-CD2 3.97Å; F239-L272 HydrophobicContact CE2-CD2 3.4Å; F239-L272 VanDerWaalsContact CE2-CD2 3.4Å; F239-L272 HydrophobicContact CZ-CD2 3.39Å; F239-L275 HydrophobicContact CE2-CD1 4.21Å; F239-L275 HydrophobicContact CZ-CD1 3.75Å; F239-V282 HydrophobicContact CD2-CG1 4.13Å; F239-V282 HydrophobicContact CE2-CG1 4.06Å; F239-V283 PolarHBondContact N-O 2.69Å; F239-F284 HydrophobicContact CB-CD1 3.82Å; F239-F284 HydrophobicContact CB-CE1 4.13Å; F239-F284 HydrophobicContact CD2-CD1 4.15Å; F239-F284 HydrophobicContact CD2-CE1 4.07Å; F239-F284 HydrophobicContact CG-CD1 4.34Å; F239-F284 HydrophobicContact CG-CE1 4.29Å; F239-F284 CarbonylContact O-C 3.48Å; F239-F284 WeakPolarHBondContact O-CA 3.48Å; F239-F285 PolarHBondContact O-N 2.65Å; F239-F354 HydrophobicContact CE1-CE2 4.49Å; F239-F354 HydrophobicContact CZ-CE2 4.04Å; F239-F354 HydrophobicContact CZ-CZ 4.42Å; F239-Y355 VanDerWaalsContact C-CE2 3.47Å; F239-Y355 PolarHBondContact O-OH 2.98Å; F239-V356 CarbonylContact C-O 3.53Å; F239-V356 VanDerWaalsContact CA-O 3.26Å; F239-V356 WeakPolarHBondContact CA-O 3.34Å; F239-V356 HydrophobicContact CD1-CB 3.63Å; F239-V356 HydrophobicContact CD1-CG1 4.31Å; F239-V356 HydrophobicContact CD1-CG2 3.87Å; F239-V356 HydrophobicContact CE1-CB 3.9Å; F239-V356 HydrophobicContact CE1-CG2 3.6Å; F239-V356 HydrophobicContact CG-CB 4.5Å; F239-V356 HydrophobicContact CZ-CG2 4.36Å; F239-Y396 HydrophobicContact CE1-CD1 4.1Å; F239-Y396 HydrophobicContact CE1-CE1 4.09Å; F239-Y396 HydrophobicContact CZ-CE1 4.22Å; F239-F397 HydrophobicContact CD1-CE2 4.28Å; F239-F397 AromaticContact CD1-CZ 3.71Å; F239-F397 HydrophobicContact CD1-CZ 3.71Å; F239-F397 HydrophobicContact CE1-CE1 4.07Å; F239-F397 HydrophobicContact CE1-CE2 4.26Å; F239-F397 AromaticContact CE1-CZ 3.46Å; F239-F397 HydrophobicContact CE1-CZ 3.46Å; F239-F397 VanDerWaalsContact CE1-CZ 3.46Å; F239-F397 HydrophobicContact CZ-CZ 4.48Å
240	D	98.6	Very high	96.9	Very high	10 Å²	10	28.2 Å²	28.2	5%	0.053	15%	0.151	C	C	.	.			trans	-79.4	173.1	153.8	-170.4	71.3	0	0	0	110.4	D242 C244 I245 F285 K329 Y355 V356	D240-D242 PolarHBondContact OD2-N 2.94Å; D240-C244 HydrophobicContact CB-CB 3.94Å; D240-C244 WeakPolarHBondContact O-CB 3.48Å; D240-C244 PolarHBondContact O-SG 3.46Å; D240-I245 VanDerWaalsContact O-CG1 3.22Å; D240-I245 WeakPolarHBondContact O-CG1 3.3Å; D240-F285 VanDerWaalsContact OD1-O 3.08Å; D240-K329 IonicContact OD1-NZ 3.58Å; D240-K329 PolarHBondContact OD1-NZ 2.92Å; D240-Y355 PolarHBondContact N-OH 2.74Å; D240-V356 PolarHBondContact N-O 2.55Å
241	I	97.6	Very high	96.6	Very high	1 Å²	1	31 Å²	31	1%	0.005	18%	0.181	C	C	.	.	S	Bend	trans	-105.6	-59.5	177.5	-62.2	-175.6	0	0	0	111.7	G243 C244 I245 I246 F284 T286 I308 V318	I241-G243 PolarHBondContact O-N 2.91Å; I241-C244 PolarHBondContact O-N 3.31Å; I241-I245 PolarHBondContact O-N 3.4Å; I241-I246 HydrophobicContact CG2-CD1 3.86Å; I241-I246 HydrophobicContact CG2-CG1 3.69Å; I241-I246 WeakPolarHBondContact O-CG1 3.25Å; I241-I246 PolarHBondContact O-N 3.36Å; I241-F284 HydrophobicContact CD1-CB 3.92Å; I241-F284 HydrophobicContact CD1-CD2 3.97Å; I241-F284 HydrophobicContact CD1-CG 4.38Å; I241-F284 HydrophobicContact CG1-CB 3.82Å; I241-F284 HydrophobicContact CG1-CD2 3.92Å; I241-F284 HydrophobicContact CG1-CG 4.11Å; I241-T286 HydrophobicContact CD1-CG2 3.85Å; I241-T286 HydrophobicContact CG1-CG2 4.45Å; I241-I308 HydrophobicContact CG2-CD1 4.14Å; I241-V318 HydrophobicContact CD1-CG1 3.89Å
242	D	96.1	Very high	96.4	Very high	60 Å²	60	31.2 Å²	31.2	32%	0.321	18%	0.183	S	C	.	.	B	Isolated β-bridge	trans	-92	81	-163	-79.5	-51	0	0	0	111.1	D240 I246 Q288 K304	D240-D242 PolarHBondContact OD2-N 2.94Å; D242-I246 WeakPolarHBondContact OD1-CD1 3.26Å; D242-Q288 PolarHBondContact OD2-NE2 2.88Å; D242-K304 IonicContact OD1-NZ 2.73Å; D242-K304 PolarHBondContact OD1-NZ 3.49Å; D242-K304 IonicContact OD2-NZ 3.97Å; D242-K304 PolarHBondContact OD2-NZ 3.31Å
243	G	95.1	Very high	95.8	Very high	19 Å²	19	36.3 Å²	36.3	20%	0.196	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	127.6	-15.3	-170.4	0	0	0	0	0	113	I241 I246 L264 D358	I241-G243 PolarHBondContact O-N 2.91Å; G243-I246 PolarHBondContact N-O 3.43Å; G243-L264 VanDerWaalsContact O-CD2 3.31Å; G243-L264 WeakPolarHBondContact O-CD2 3.29Å; G243-D358 WeakPolarHBondContact O-CB 3.43Å
244	C	97.8	Very high	95.3	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.6	-52.9	-176.8	170.8	0	0	0	0	113.8	D240 I241 L264 V356 P393	D240-C244 HydrophobicContact CB-CB 3.94Å; D240-C244 WeakPolarHBondContact O-CB 3.48Å; D240-C244 PolarHBondContact O-SG 3.46Å; I241-C244 PolarHBondContact O-N 3.31Å; C244-L264 WeakPolarHBondContact O-CD2 3.39Å; C244-V356 PolarHBondContact SG-O 2.93Å; C244-P393 HydrophobicContact CB-CG 3.88Å
245	I	98.4	Very high	94.8	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95	-36.1	176.6	-64.7	-66.8	0	0	0	111	F239 D240 I241 I263 L264 I268 L272 F284 I308 L312 F397	F239-I245 HydrophobicContact CB-CD1 4.15Å; F239-I245 HydrophobicContact CB-CG1 4.05Å; F239-I245 HydrophobicContact CD1-CD1 4.04Å; F239-I245 HydrophobicContact CG-CD1 4.11Å; D240-I245 VanDerWaalsContact O-CG1 3.22Å; D240-I245 WeakPolarHBondContact O-CG1 3.3Å; I241-I245 PolarHBondContact O-N 3.4Å; I245-I263 WeakPolarHBondContact O-CA 3.29Å; I245-L264 PolarHBondContact O-N 2.88Å; I245-I268 HydrophobicContact CD1-CG2 3.64Å; I245-I268 HydrophobicContact CG2-CG2 4.41Å; I245-L272 HydrophobicContact CD1-CD1 4.09Å; I245-F284 HydrophobicContact CD1-CE1 3.95Å; I245-F284 HydrophobicContact CD1-CZ 4.02Å; I245-F284 HydrophobicContact CG1-CD1 4.4Å; I245-F284 HydrophobicContact CG1-CE1 3.88Å; I245-F284 HydrophobicContact CG1-CE2 4.34Å; I245-F284 HydrophobicContact CG1-CZ 3.85Å; I245-F284 HydrophobicContact CG2-CE2 4.17Å; I245-F284 HydrophobicContact CG2-CZ 4.05Å; I245-I308 HydrophobicContact CG2-CG2 4.34Å; I245-L312 HydrophobicContact CG2-CD1 4.19Å; I245-F397 HydrophobicContact CD1-CE2 4.48Å; I245-F397 HydrophobicContact CD1-CZ 3.94Å
246	I	98	Very high	94.2	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.005	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	162.3	178.5	57.3	158.3	0	0	0	112.7	I241 D242 G243 W261 K262 I263 I308	I241-I246 HydrophobicContact CG2-CD1 3.86Å; I241-I246 HydrophobicContact CG2-CG1 3.69Å; I241-I246 WeakPolarHBondContact O-CG1 3.25Å; I241-I246 PolarHBondContact O-N 3.36Å; D242-I246 WeakPolarHBondContact OD1-CD1 3.26Å; G243-I246 PolarHBondContact N-O 3.43Å; I246-W261 HydrophobicContact CB-CB 4.47Å; I246-W261 HydrophobicContact CB-CE3 4.37Å; I246-W261 HydrophobicContact CD1-CB 3.69Å; I246-W261 HydrophobicContact CD1-CG 4.2Å; I246-W261 HydrophobicContact CG2-CD2 4.49Å; I246-W261 HydrophobicContact CG2-CE3 3.61Å; I246-W261 HydrophobicContact CG2-CZ3 4.15Å; I246-K262 CarbonylContact C-O 3.5Å; I246-K262 WeakPolarHBondContact CA-O 3.49Å; I246-K262 VanDerWaalsContact CB-O 3.23Å; I246-K262 WeakPolarHBondContact CB-O 3.22Å; I246-I263 HydrophobicContact CG2-CD1 4.15Å; I246-I308 HydrophobicContact CD1-CD1 3.67Å; I246-I308 HydrophobicContact CG1-CD1 4.34Å; I246-I308 HydrophobicContact CG2-CD1 4.08Å; I246-I308 HydrophobicContact CG2-CG1 4.09Å; I246-I308 HydrophobicContact CG2-CG2 4.35Å
247	T	97	Very high	93.7	Very high	52 Å²	52	47.6 Å²	47.6	32%	0.319	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	171.4	167.4	-165.2	0	0	0	0	109.7	W261 K262 L264	T247-W261 CarbonylContact O-C 3.47Å; T247-W261 VanDerWaalsContact O-CA 3.25Å; T247-W261 WeakPolarHBondContact O-CA 3.22Å; T247-K262 HydrophobicContact CG2-CD 4.48Å; T247-K262 HydrophobicContact CG2-CG 4.01Å; T247-K262 PolarHBondContact N-O 2.77Å; T247-K262 PolarHBondContact O-N 2.84Å; T247-L264 HydrophobicContact CG2-CD1 3.86Å
248	T	95.5	Very high	93.1	Very high	15 Å²	15	51.5 Å²	51.5	9%	0.092	31%	0.305	C	S	.	.			trans	-67.5	146.4	-178.9	55.2	0	0	0	0	112.1	S250 G251 K252 P255 D260 K262	T248-S250 VanDerWaalsContact C-N 3.34Å; T248-G251 WeakPolarHBondContact OG1-CA 3.48Å; T248-G251 PolarHBondContact OG1-N 2.86Å; T248-K252 VanDerWaalsContact CG2-O 3.25Å; T248-K252 WeakPolarHBondContact CG2-O 3.22Å; T248-K252 PolarHBondContact OG1-N 3.47Å; T248-K252 PolarHBondContact OG1-O 2.9Å; T248-P255 HydrophobicContact CG2-CB 4.1Å; T248-D260 WeakPolarHBondContact CA-O 3.38Å; T248-K262 WeakPolarHBondContact O-CE 3.18Å
249	K	94.6	Very high	92.7	Very high	113 Å²	113	56.2 Å²	56.2	49%	0.491	33%	0.331	S	S	.	.	S	Bend	trans	-69.5	-39.1	168.2	-74.3	176	173.2	103.6	0	109.8	G251 D259 D260 W261 K262	K249-G251 VanDerWaalsContact C-N 3.29Å; K249-G251 PolarHBondContact O-N 3.38Å; K249-D259 PolarHBondContact NZ-O 3.36Å; K249-D260 WeakPolarHBondContact CA-OD1 3.5Å; K249-D260 WeakPolarHBondContact CB-OD1 3.18Å; K249-D260 PolarHBondContact N-OD1 3.35Å; K249-W261 WeakPolarHBondContact CE-O 3.37Å; K249-W261 WeakPolarHBondContact CG-O 3.28Å; K249-W261 PolarHBondContact NZ-O 2.92Å; K249-K262 HydrophobicContact CG-CB 4.02Å; K249-K262 HydrophobicContact CG-CG 4.38Å
250	S	92.2	Very high	92.4	Very high	52 Å²	52	56.8 Å²	56.8	36%	0.364	33%	0.334	S	S	.	.	S	Bend	trans	-72.5	-11	-177.3	68.7	0	0	0	0	115.4	T248 K252 D260	T248-S250 VanDerWaalsContact C-N 3.34Å; S250-K252 PolarHBondContact O-N 3.13Å; S250-K252 PolarHBondContact OG-N 2.66Å; S250-D260 WeakPolarHBondContact CB-OD1 3.34Å; S250-D260 VanDerWaalsContact CB-OD2 3.31Å; S250-D260 WeakPolarHBondContact CB-OD2 3.43Å; S250-D260 PolarHBondContact N-OD1 3.35Å; S250-D260 PolarHBondContact OG-OD1 3.32Å; S250-D260 PolarHBondContact OG-OD2 3.49Å
251	G	89.2	Confident	92.3	Very high	69 Å²	69	57.2 Å²	57.2	71%	0.711	33%	0.334	S	S	*	.			trans	69.7	5.8	-175.2	0	0	0	0	0	114.6	T248 K249	T248-G251 WeakPolarHBondContact OG1-CA 3.48Å; T248-G251 PolarHBondContact OG1-N 2.86Å; K249-G251 VanDerWaalsContact C-N 3.29Å; K249-G251 PolarHBondContact O-N 3.38Å
252	K	89.6	Confident	92.3	Very high	122 Å²	122	62.1 Å²	62.1	53%	0.53	36%	0.356	S	S	.	.			trans	-79.6	153.6	174.6	-67.7	170	-179.5	170	0	110.6	T248 S250 F254 T256	T248-K252 VanDerWaalsContact CG2-O 3.25Å; T248-K252 WeakPolarHBondContact CG2-O 3.22Å; T248-K252 PolarHBondContact OG1-N 3.47Å; T248-K252 PolarHBondContact OG1-O 2.9Å; S250-K252 PolarHBondContact O-N 3.13Å; S250-K252 PolarHBondContact OG-N 2.66Å; K252-F254 WeakPolarHBondContact CB-O 3.17Å; K252-F254 PolarHBondContact O-N 2.76Å; K252-T256 HydrophobicContact CD-CG2 3.63Å
253	V	84.9	Confident	92.4	Very high	117 Å²	117	61.2 Å²	61.2	71%	0.709	35%	0.35	S	S	*	.	S	Bend	trans	-63.5	-27.8	178.3	179.9	0	0	0	0	112.4
254	F	85.7	Confident	92.5	Very high	165 Å²	165	62 Å²	62	72%	0.724	35%	0.35	S	S	*	.	S	Bend	trans	-124.8	141.1	175.1	-57.4	-65.7	0	0	0	109.4	K252	K252-F254 WeakPolarHBondContact CB-O 3.17Å; K252-F254 PolarHBondContact O-N 2.76Å
255	P	87.6	Confident	92.3	Very high	70 Å²	70	63.7 Å²	63.7	46%	0.455	36%	0.357	S	S	.	.			trans	-65.2	139	178.9	27.3	-34.8	0	0	0	111	T248 D260	T248-P255 HydrophobicContact CG2-CB 4.1Å; P255-D260 WeakPolarHBondContact CA-OD2 3.39Å; P255-D260 HydrophobicContact CB-CB 3.97Å
256	T	86.5	Confident	92.1	Very high	94 Å²	94	68.8 Å²	68.8	58%	0.577	39%	0.39	S	S	*	.	S	Bend	trans	-88.4	-14.6	177	46.4	0	0	0	0	114.6	K252 D260	K252-T256 HydrophobicContact CD-CG2 3.63Å; T256-D260 PolarHBondContact N-OD2 3.27Å; T256-D260 PolarHBondContact OG1-OD2 2.76Å
257	A	87.6	Confident	92.1	Very high	40 Å²	40	72.4 Å²	72.4	33%	0.331	41%	0.407	S	S	.	.	S	Bend	trans	-149.6	163	179.1	0	0	0	0	0	110.1	D259 D260	A257-D259 WeakPolarHBondContact CB-OD1 3.5Å; A257-D259 PolarHBondContact O-N 3Å; A257-D260 HydrophobicContact CB-CB 4.42Å; A257-D260 WeakPolarHBondContact O-CB 3.38Å; A257-D260 PolarHBondContact O-N 2.68Å
258	P	85.9	Confident	92.1	Very high	82 Å²	82	69.9 Å²	69.9	53%	0.532	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-31.1	-179.8	-25.8	36.6	0	0	0	114.1	W261 V300	P258-W261 VanDerWaalsContact O-CD1 3.26Å; P258-V300 HydrophobicContact CB-CG1 3.63Å; P258-V300 HydrophobicContact CG-CG1 3.62Å
259	D	89.8	Confident	92.2	Very high	99 Å²	99	72.5 Å²	72.5	53%	0.529	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	0	179.5	66.5	-55.9	0	0	0	113.6	K249 A257 W261	K249-D259 PolarHBondContact NZ-O 3.36Å; A257-D259 WeakPolarHBondContact CB-OD1 3.5Å; A257-D259 PolarHBondContact O-N 3Å; D259-W261 PolarHBondContact O-N 3.11Å
260	D	93.1	Very high	92.3	Very high	11 Å²	11	70.6 Å²	70.6	6%	0.059	40%	0.401	C	S	.	.			trans	-75.9	59.5	176.2	-174.9	15.2	0	0	0	111.7	T248 K249 S250 P255 T256 A257	T248-D260 WeakPolarHBondContact CA-O 3.38Å; K249-D260 WeakPolarHBondContact CA-OD1 3.5Å; K249-D260 WeakPolarHBondContact CB-OD1 3.18Å; K249-D260 PolarHBondContact N-OD1 3.35Å; S250-D260 WeakPolarHBondContact CB-OD1 3.34Å; S250-D260 VanDerWaalsContact CB-OD2 3.31Å; S250-D260 WeakPolarHBondContact CB-OD2 3.43Å; S250-D260 PolarHBondContact N-OD1 3.35Å; S250-D260 PolarHBondContact OG-OD1 3.32Å; S250-D260 PolarHBondContact OG-OD2 3.49Å; P255-D260 WeakPolarHBondContact CA-OD2 3.39Å; P255-D260 HydrophobicContact CB-CB 3.97Å; T256-D260 PolarHBondContact N-OD2 3.27Å; T256-D260 PolarHBondContact OG1-OD2 2.76Å; A257-D260 HydrophobicContact CB-CB 4.42Å; A257-D260 WeakPolarHBondContact O-CB 3.38Å; A257-D260 PolarHBondContact O-N 2.68Å
261	W	96.6	Very high	92.6	Very high	19 Å²	19	73.5 Å²	73.5	7%	0.072	41%	0.405	C	S	.	.			trans	-145.4	149.6	174.6	67.9	-91.8	0	0	0	111.2	I246 T247 K249 P258 D259 I263 D307 I308 T311	I246-W261 HydrophobicContact CB-CB 4.47Å; I246-W261 HydrophobicContact CB-CE3 4.37Å; I246-W261 HydrophobicContact CD1-CB 3.69Å; I246-W261 HydrophobicContact CD1-CG 4.2Å; I246-W261 HydrophobicContact CG2-CD2 4.49Å; I246-W261 HydrophobicContact CG2-CE3 3.61Å; I246-W261 HydrophobicContact CG2-CZ3 4.15Å; T247-W261 CarbonylContact O-C 3.47Å; T247-W261 VanDerWaalsContact O-CA 3.25Å; T247-W261 WeakPolarHBondContact O-CA 3.22Å; K249-W261 WeakPolarHBondContact CE-O 3.37Å; K249-W261 WeakPolarHBondContact CG-O 3.28Å; K249-W261 PolarHBondContact NZ-O 2.92Å; P258-W261 VanDerWaalsContact O-CD1 3.26Å; D259-W261 PolarHBondContact O-N 3.11Å; W261-I263 HydrophobicContact CZ3-CD1 4.16Å; W261-D307 HydrophobicContact CZ2-CB 3.71Å; W261-I308 HydrophobicContact CD2-CD1 4.43Å; W261-I308 HydrophobicContact CD2-CG1 3.88Å; W261-I308 HydrophobicContact CE3-CG1 3.74Å; W261-I308 HydrophobicContact CH2-CB 4.33Å; W261-I308 HydrophobicContact CH2-CG1 3.72Å; W261-I308 HydrophobicContact CZ2-CG1 3.86Å; W261-I308 HydrophobicContact CZ3-CB 4.44Å; W261-I308 HydrophobicContact CZ3-CG1 3.66Å; W261-T311 HydrophobicContact CH2-CG2 4.44Å
262	K	96.8	Very high	93	Very high	104 Å²	104	70.2 Å²	70.2	45%	0.452	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	157.3	171.2	58.9	177.8	-178.8	-177.8	0	108.8	I246 T247 T248 K249 L264	I246-K262 CarbonylContact C-O 3.5Å; I246-K262 WeakPolarHBondContact CA-O 3.49Å; I246-K262 VanDerWaalsContact CB-O 3.23Å; I246-K262 WeakPolarHBondContact CB-O 3.22Å; T247-K262 HydrophobicContact CG2-CD 4.48Å; T247-K262 HydrophobicContact CG2-CG 4.01Å; T247-K262 PolarHBondContact N-O 2.77Å; T247-K262 PolarHBondContact O-N 2.84Å; T248-K262 WeakPolarHBondContact O-CE 3.18Å; K249-K262 HydrophobicContact CG-CB 4.02Å; K249-K262 HydrophobicContact CG-CG 4.38Å; K262-L264 PolarHBondContact O-N 2.48Å
263	I	98	Very high	93.4	Very high	41 Å²	41	65.4 Å²	65.4	21%	0.21	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56	135.5	169.1	-53.1	-57.3	0	0	0	108.9	I245 I246 W261 Y265 I268 T311 L312	I245-I263 WeakPolarHBondContact O-CA 3.29Å; I246-I263 HydrophobicContact CG2-CD1 4.15Å; W261-I263 HydrophobicContact CZ3-CD1 4.16Å; I263-Y265 WeakPolarHBondContact CG2-O 3.21Å; I263-I268 HydrophobicContact CG2-CB 4.01Å; I263-I268 HydrophobicContact CG2-CD1 4.01Å; I263-I268 HydrophobicContact CG2-CG1 4.48Å; I263-I268 HydrophobicContact CG2-CG2 4.42Å; I263-T311 HydrophobicContact CD1-CG2 4.32Å; I263-T311 HydrophobicContact CG1-CG2 4.2Å; I263-L312 HydrophobicContact CD1-CD2 3.98Å; I263-L312 HydrophobicContact CD1-CG 4.22Å
264	L	97.1	Very high	94	Very high	35 Å²	35	62.1 Å²	62.1	18%	0.183	34%	0.336	C	S	.	.	S	Bend	trans	-68.5	-46.7	-172.1	170.5	65.7	0	0	0	112.6	G243 C244 I245 T247 K262 I268 P393	G243-L264 VanDerWaalsContact O-CD2 3.31Å; G243-L264 WeakPolarHBondContact O-CD2 3.29Å; C244-L264 WeakPolarHBondContact O-CD2 3.39Å; I245-L264 PolarHBondContact O-N 2.88Å; T247-L264 HydrophobicContact CG2-CD1 3.86Å; K262-L264 PolarHBondContact O-N 2.48Å; L264-I268 HydrophobicContact CB-CD1 3.81Å; L264-P393 HydrophobicContact CD2-CB 4.04Å
265	Y	94.5	Very high	94.6	Very high	36 Å²	36	54.6 Å²	54.6	14%	0.141	30%	0.303	C	S	.	.			trans	-134.9	143.5	176.6	-46.7	-59.1	0	0	0	110.8	I263 E267 I268 P393 E394 F397 L398	I263-Y265 WeakPolarHBondContact CG2-O 3.21Å; Y265-E267 VanDerWaalsContact CB-OE2 3.32Å; Y265-E267 WeakPolarHBondContact CB-OE2 3.36Å; Y265-E267 PolarHBondContact O-N 2Å; Y265-I268 HydrophobicContact CD2-CD1 4.19Å; Y265-I268 HydrophobicContact CD2-CG1 4.44Å; Y265-I268 WeakPolarHBondContact O-CB 3.42Å; Y265-I268 VanDerWaalsContact O-CG1 3.31Å; Y265-I268 WeakPolarHBondContact O-CG1 2.87Å; Y265-I268 PolarHBondContact O-N 2.98Å; Y265-I268 VanDerWaalsContact O-N 3.16Å; Y265-P393 HydrophobicContact CE2-CB 3.93Å; Y265-E394 VanDerWaalsContact OH-CD 3.24Å; Y265-E394 VanDerWaalsContact OH-CG 3.31Å; Y265-E394 WeakPolarHBondContact OH-CG 2.99Å; Y265-E394 PolarHBondContact OH-OE1 3.12Å; Y265-E394 VanDerWaalsContact OH-OE1 3.08Å; Y265-F397 HydrophobicContact CD2-CB 4.12Å; Y265-F397 HydrophobicContact CD2-CD2 4.34Å; Y265-L398 HydrophobicContact CD1-CD1 4.11Å; Y265-L398 HydrophobicContact CD1-CD2 4.18Å; Y265-L398 HydrophobicContact CD1-CG 4.49Å; Y265-L398 HydrophobicContact CD2-CD1 4.36Å; Y265-L398 HydrophobicContact CD2-CD2 4.13Å; Y265-L398 HydrophobicContact CD2-CG 4.11Å; Y265-L398 HydrophobicContact CE1-CD1 3.86Å; Y265-L398 HydrophobicContact CE2-CD1 4.1Å; Y265-L398 HydrophobicContact CE2-CG 4.19Å; Y265-L398 HydrophobicContact CG-CD1 4.38Å; Y265-L398 HydrophobicContact CG-CD2 3.88Å; Y265-L398 HydrophobicContact CG-CG 4.28Å
266	P	94.9	Very high	95	Very high	108 Å²	108	53.5 Å²	53.5	70%	0.701	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-25.4	179.4	25.8	-33.8	0	0	0	113.2	I268 P270	P266-I268 PolarHBondContact O-N 3.45Å; P266-P270 WeakPolarHBondContact O-CD 3.43Å
267	E	96.1	Very high	95.6	Very high	76 Å²	76	58 Å²	58	36%	0.355	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-18.3	177.6	-63.8	74.4	-165.7	0	0	113.4	Y265 P270 R271 F397 L398	Y265-E267 VanDerWaalsContact CB-OE2 3.32Å; Y265-E267 WeakPolarHBondContact CB-OE2 3.36Å; Y265-E267 PolarHBondContact O-N 2Å; E267-P270 WeakPolarHBondContact O-CD 2.97Å; E267-P270 WeakPolarHBondContact O-CG 3.38Å; E267-R271 HydrophobicContact CB-CG 4.36Å; E267-R271 VanDerWaalsContact O-CB 3.25Å; E267-R271 WeakPolarHBondContact O-CB 3.36Å; E267-R271 WeakPolarHBondContact O-CG 3.36Å; E267-R271 PolarHBondContact O-N 2.9Å; E267-F397 HydrophobicContact CB-CB 4.49Å; E267-L398 HydrophobicContact CG-CD2 4.47Å; E267-L398 WeakPolarHBondContact OE2-CD2 3.33Å
268	I	97.6	Very high	96	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-61.7	-51.2	-172.3	-67	174.3	0	0	0	111.5	I245 I263 L264 Y265 P266 R271 L272 L312 F397	I245-I268 HydrophobicContact CD1-CG2 3.64Å; I245-I268 HydrophobicContact CG2-CG2 4.41Å; I263-I268 HydrophobicContact CG2-CB 4.01Å; I263-I268 HydrophobicContact CG2-CD1 4.01Å; I263-I268 HydrophobicContact CG2-CG1 4.48Å; I263-I268 HydrophobicContact CG2-CG2 4.42Å; L264-I268 HydrophobicContact CB-CD1 3.81Å; Y265-I268 HydrophobicContact CD2-CD1 4.19Å; Y265-I268 HydrophobicContact CD2-CG1 4.44Å; Y265-I268 WeakPolarHBondContact O-CB 3.42Å; Y265-I268 VanDerWaalsContact O-CG1 3.31Å; Y265-I268 WeakPolarHBondContact O-CG1 2.87Å; Y265-I268 PolarHBondContact O-N 2.98Å; Y265-I268 VanDerWaalsContact O-N 3.16Å; P266-I268 PolarHBondContact O-N 3.45Å; I268-R271 PolarHBondContact O-N 3.03Å; I268-L272 HydrophobicContact CG2-CD1 4Å; I268-L272 HydrophobicContact CG2-CG 4.26Å; I268-L272 WeakPolarHBondContact O-CG 3.47Å; I268-L272 PolarHBondContact O-N 3.35Å; I268-L312 HydrophobicContact CG2-CD2 4.48Å; I268-F397 HydrophobicContact CB-CD1 4.3Å; I268-F397 HydrophobicContact CB-CE1 4.13Å; I268-F397 HydrophobicContact CB-CZ 4.44Å; I268-F397 HydrophobicContact CD1-CD2 4.34Å; I268-F397 HydrophobicContact CD1-CE2 4.28Å; I268-F397 HydrophobicContact CG1-CB 4.48Å; I268-F397 HydrophobicContact CG1-CD1 3.78Å; I268-F397 HydrophobicContact CG1-CD2 3.88Å; I268-F397 HydrophobicContact CG1-CE1 3.87Å; I268-F397 HydrophobicContact CG1-CE2 3.96Å; I268-F397 HydrophobicContact CG1-CG 3.79Å; I268-F397 HydrophobicContact CG1-CZ 3.95Å; I268-F397 HydrophobicContact CG2-CE1 4.04Å; I268-F397 HydrophobicContact CG2-CZ 4.07Å
269	Q	97.4	Very high	96.5	Very high	70 Å²	70	60.9 Å²	60.9	33%	0.327	31%	0.314	S	S	.	.	H	α-helix	trans	-58.9	-53.1	-178.3	-161.3	-76.7	-9.4	0	0	112.6	R271 L272 A273 L312	Q269-R271 VanDerWaalsContact C-N 3.31Å; Q269-R271 PolarHBondContact O-N 3.35Å; Q269-L272 PolarHBondContact O-N 2.94Å; Q269-A273 WeakPolarHBondContact O-CB 3.36Å; Q269-A273 PolarHBondContact O-N 2.99Å; Q269-L312 HydrophobicContact CB-CD2 3.97Å; Q269-L312 HydrophobicContact CG-CD2 3.99Å; Q269-L312 VanDerWaalsContact CG-O 3.29Å; Q269-L312 WeakPolarHBondContact CG-O 3.3Å; Q269-L312 PolarHBondContact NE2-O 2.83Å
270	P	97.4	Very high	97	Very high	72 Å²	72	58.2 Å²	58.2	47%	0.468	30%	0.297	S	S	.	.	H	α-helix	trans	-67.3	-29	179.3	24.2	-33.7	0	0	0	113.2	P266 E267 S274	P266-P270 WeakPolarHBondContact O-CD 3.43Å; E267-P270 WeakPolarHBondContact O-CD 2.97Å; E267-P270 WeakPolarHBondContact O-CG 3.38Å; P270-S274 WeakPolarHBondContact O-CB 3.38Å; P270-S274 PolarHBondContact O-N 3.2Å
271	R	97.6	Very high	97.2	Very high	114 Å²	114	58.2 Å²	58.2	43%	0.43	30%	0.296	S	S	.	.	H	α-helix	trans	-68	-44.4	173.4	-68.7	-86.1	-160.7	-164	4.5	111.6	E267 I268 Q269 S274 L275 F397	E267-R271 HydrophobicContact CB-CG 4.36Å; E267-R271 VanDerWaalsContact O-CB 3.25Å; E267-R271 WeakPolarHBondContact O-CB 3.36Å; E267-R271 WeakPolarHBondContact O-CG 3.36Å; E267-R271 PolarHBondContact O-N 2.9Å; I268-R271 PolarHBondContact O-N 3.03Å; Q269-R271 VanDerWaalsContact C-N 3.31Å; Q269-R271 PolarHBondContact O-N 3.35Å; R271-S274 WeakPolarHBondContact O-CB 3.42Å; R271-S274 PolarHBondContact O-N 2.81Å; R271-L275 WeakPolarHBondContact O-CG 3.34Å; R271-L275 PolarHBondContact O-N 3.35Å; R271-L275 VanDerWaalsContact O-N 3.09Å; R271-F397 HydrophobicContact CB-CD1 3.86Å; R271-F397 HydrophobicContact CB-CE1 4.08Å; R271-F397 HydrophobicContact CG-CD1 4.04Å; R271-F397 PolarHBondContact NE-O 3.31Å; R271-F397 PolarHBondContact NH2-O 2.99Å
272	L	98.2	Very high	97.3	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-64.9	-41.1	174.3	-66.9	-174.6	0	0	0	111.9	F239 I245 I268 Q269 S274 L275 L276 V282 F284 L312 L314	F239-L272 HydrophobicContact CD2-CD2 4.02Å; F239-L272 HydrophobicContact CE1-CD2 3.97Å; F239-L272 HydrophobicContact CE2-CD2 3.4Å; F239-L272 VanDerWaalsContact CE2-CD2 3.4Å; F239-L272 HydrophobicContact CZ-CD2 3.39Å; I245-L272 HydrophobicContact CD1-CD1 4.09Å; I268-L272 HydrophobicContact CG2-CD1 4Å; I268-L272 HydrophobicContact CG2-CG 4.26Å; I268-L272 WeakPolarHBondContact O-CG 3.47Å; I268-L272 PolarHBondContact O-N 3.35Å; Q269-L272 PolarHBondContact O-N 2.94Å; L272-S274 VanDerWaalsContact C-N 3.31Å; L272-S274 PolarHBondContact O-N 2.82Å; L272-L275 HydrophobicContact CD2-CD1 4.13Å; L272-L275 WeakPolarHBondContact O-CB 3.18Å; L272-L275 PolarHBondContact O-N 2.96Å; L272-L276 PolarHBondContact O-N 3.42Å; L272-L276 VanDerWaalsContact O-N 3.15Å; L272-V282 HydrophobicContact CD1-CG1 4.45Å; L272-V282 HydrophobicContact CD2-CG1 3.9Å; L272-V282 HydrophobicContact CD2-CG2 4.35Å; L272-F284 HydrophobicContact CD1-CE1 4.11Å; L272-F284 HydrophobicContact CD1-CZ 3.94Å; L272-L312 HydrophobicContact CD1-CD1 4.17Å; L272-L314 HydrophobicContact CB-CD1 3.42Å; L272-L314 VanDerWaalsContact CB-CD1 3.42Å; L272-L314 HydrophobicContact CD1-CD1 4.42Å
273	A	97.8	Very high	97.4	Very high	21 Å²	21	52.4 Å²	52.4	17%	0.174	27%	0.271	C	S	.	.	H	α-helix	trans	-61.8	-37.4	173.7	0	0	0	0	0	112.3	Q269 K277 L314	Q269-A273 WeakPolarHBondContact O-CB 3.36Å; Q269-A273 PolarHBondContact O-N 2.99Å; A273-K277 WeakPolarHBondContact O-CG 3.35Å; A273-K277 PolarHBondContact O-N 3.34Å; A273-K277 VanDerWaalsContact O-N 3.15Å; A273-L314 HydrophobicContact CB-CD1 4.38Å; A273-L314 HydrophobicContact CB-CD2 3.99Å
274	S	97.8	Very high	97.4	Very high	47 Å²	47	50.5 Å²	50.5	33%	0.329	26%	0.262	S	S	.	.	H	α-helix	trans	-65.9	-35.5	174.5	-171.4	0	0	0	0	112.7	P270 R271 L272 K278	P270-S274 WeakPolarHBondContact O-CB 3.38Å; P270-S274 PolarHBondContact O-N 3.2Å; R271-S274 WeakPolarHBondContact O-CB 3.42Å; R271-S274 PolarHBondContact O-N 2.81Å; L272-S274 VanDerWaalsContact C-N 3.31Å; L272-S274 PolarHBondContact O-N 2.82Å; S274-K278 VanDerWaalsContact O-CG 3.29Å; S274-K278 WeakPolarHBondContact O-CG 3.3Å; S274-K278 PolarHBondContact O-N 3.46Å; S274-K278 VanDerWaalsContact O-N 3.12Å
275	L	98.1	Very high	97.5	Very high	7 Å²	7	48.8 Å²	48.8	4%	0.037	25%	0.253	C	S	.	.	H	α-helix	trans	-66.1	-48.1	176.6	-75.4	165.7	0	0	0	111.9	A237 F239 R271 L272 K277 K278 G279 Y280 V282 F354 Y396	A237-L275 HydrophobicContact CB-CD1 3.75Å; A237-L275 HydrophobicContact CB-CD2 4.24Å; A237-L275 HydrophobicContact CB-CG 4.45Å; F239-L275 HydrophobicContact CE2-CD1 4.21Å; F239-L275 HydrophobicContact CZ-CD1 3.75Å; R271-L275 WeakPolarHBondContact O-CG 3.34Å; R271-L275 PolarHBondContact O-N 3.35Å; R271-L275 VanDerWaalsContact O-N 3.09Å; L272-L275 HydrophobicContact CD2-CD1 4.13Å; L272-L275 WeakPolarHBondContact O-CB 3.18Å; L272-L275 PolarHBondContact O-N 2.96Å; L275-K277 VanDerWaalsContact C-N 3.3Å; L275-K277 PolarHBondContact O-N 2.8Å; L275-K278 CarbonylContact O-C 3.51Å; L275-K278 WeakPolarHBondContact O-CA 3.43Å; L275-K278 WeakPolarHBondContact O-CB 3.32Å; L275-K278 PolarHBondContact O-N 3.23Å; L275-G279 PolarHBondContact O-N 2.97Å; L275-Y280 HydrophobicContact CD2-CD1 4.19Å; L275-Y280 HydrophobicContact CD2-CD2 3.92Å; L275-Y280 HydrophobicContact CD2-CE2 4.29Å; L275-Y280 HydrophobicContact CD2-CG 3.87Å; L275-Y280 WeakPolarHBondContact O-CB 3.01Å; L275-Y280 PolarHBondContact O-N 3.08Å; L275-V282 HydrophobicContact CB-CG2 4.16Å; L275-F354 HydrophobicContact CD1-CZ 3.94Å; L275-F354 HydrophobicContact CD2-CE1 3.91Å; L275-F354 HydrophobicContact CD2-CZ 3.74Å; L275-Y396 HydrophobicContact CD1-CE1 4.4Å; L275-Y396 WeakPolarHBondContact CD1-OH 3.48Å
276	L	97.2	Very high	97.7	Very high	48 Å²	48	47.1 Å²	47.1	25%	0.251	25%	0.246	S	C	.	.	H	α-helix	trans	-58.6	-41.7	176	-70.6	161.3	0	0	0	111.6	L272 K278 G279 V282 L314 P315	L272-L276 PolarHBondContact O-N 3.42Å; L272-L276 VanDerWaalsContact O-N 3.15Å; L276-K278 PolarHBondContact O-N 3.4Å; L276-G279 PolarHBondContact O-N 2.81Å; L276-G279 VanDerWaalsContact O-N 3.09Å; L276-V282 HydrophobicContact CD1-CG2 4.43Å; L276-V282 HydrophobicContact CD2-CB 4.44Å; L276-V282 HydrophobicContact CD2-CG2 4.09Å; L276-V282 HydrophobicContact CG-CG2 3.87Å; L276-L314 HydrophobicContact CD1-CB 3.96Å; L276-L314 HydrophobicContact CD1-CD1 4.26Å; L276-L314 HydrophobicContact CD1-CD2 3.89Å; L276-L314 HydrophobicContact CD1-CG 4.25Å; L276-P315 HydrophobicContact CD1-CG 4.15Å; L276-P315 HydrophobicContact CD2-CG 4.27Å
277	K	97.3	Very high	97.8	Very high	187 Å²	187	43.2 Å²	43.2	81%	0.813	22%	0.22	S	C	*	.	H	α-helix	trans	-64.5	-23	173.2	-71.8	179	-179.1	-175.2	0	114	A273 L275 G279	A273-K277 WeakPolarHBondContact O-CG 3.35Å; A273-K277 PolarHBondContact O-N 3.34Å; A273-K277 VanDerWaalsContact O-N 3.15Å; L275-K277 VanDerWaalsContact C-N 3.3Å; L275-K277 PolarHBondContact O-N 2.8Å; K277-G279 VanDerWaalsContact C-N 3.33Å
278	K	97.3	Very high	97.8	Very high	140 Å²	140	40.9 Å²	40.9	61%	0.609	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.2	10.1	174.5	-71.8	169.1	178.9	173.9	0	113.1	S274 L275 L276 Y280	S274-K278 VanDerWaalsContact O-CG 3.29Å; S274-K278 WeakPolarHBondContact O-CG 3.3Å; S274-K278 PolarHBondContact O-N 3.46Å; S274-K278 VanDerWaalsContact O-N 3.12Å; L275-K278 CarbonylContact O-C 3.51Å; L275-K278 WeakPolarHBondContact O-CA 3.43Å; L275-K278 WeakPolarHBondContact O-CB 3.32Å; L275-K278 PolarHBondContact O-N 3.23Å; L276-K278 PolarHBondContact O-N 3.4Å; K278-Y280 VanDerWaalsContact C-N 3.33Å; K278-Y280 HydrophobicContact CB-CD2 3.95Å; K278-Y280 HydrophobicContact CB-CE2 4.25Å; K278-Y280 PolarHBondContact O-N 3.21Å
279	G	97	Very high	97.6	Very high	44 Å²	44	42.5 Å²	42.5	45%	0.454	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.8	3.7	179.2	0	0	0	0	0	115.1	S233 L275 L276 K277	S233-G279 WeakPolarHBondContact CB-O 3.12Å; S233-G279 PolarHBondContact OG-O 3.13Å; L275-G279 PolarHBondContact O-N 2.97Å; L276-G279 PolarHBondContact O-N 2.81Å; L276-G279 VanDerWaalsContact O-N 3.09Å; K277-G279 VanDerWaalsContact C-N 3.33Å
280	Y	98.4	Very high	97.5	Very high	43 Å²	43	40.2 Å²	40.2	17%	0.169	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-73.1	134.7	175	-74.6	-105.7	0	0	0	110.7	K235 A237 L275 K278 Q352 F354	K235-Y280 HydrophobicContact CB-CD1 3.76Å; K235-Y280 HydrophobicContact CB-CD2 4.47Å; K235-Y280 HydrophobicContact CB-CE1 3.93Å; K235-Y280 HydrophobicContact CB-CG 4.06Å; K235-Y280 HydrophobicContact CD-CE2 4.49Å; K235-Y280 CarbonylContact O-C 3.58Å; K235-Y280 VanDerWaalsContact O-CA 3.31Å; K235-Y280 WeakPolarHBondContact O-CA 3.34Å; A237-Y280 HydrophobicContact CB-CD1 3.91Å; A237-Y280 HydrophobicContact CB-CG 4.41Å; L275-Y280 HydrophobicContact CD2-CD1 4.19Å; L275-Y280 HydrophobicContact CD2-CD2 3.92Å; L275-Y280 HydrophobicContact CD2-CE2 4.29Å; L275-Y280 HydrophobicContact CD2-CG 3.87Å; L275-Y280 WeakPolarHBondContact O-CB 3.01Å; L275-Y280 PolarHBondContact O-N 3.08Å; K278-Y280 VanDerWaalsContact C-N 3.33Å; K278-Y280 HydrophobicContact CB-CD2 3.95Å; K278-Y280 HydrophobicContact CB-CE2 4.25Å; K278-Y280 PolarHBondContact O-N 3.21Å; Y280-Q352 WeakPolarHBondContact CE1-O 3.43Å; Y280-Q352 PolarHBondContact OH-O 3.37Å; Y280-F354 HydrophobicContact CD1-CE1 4Å; Y280-F354 AromaticContact CE1-CD1 3.96Å; Y280-F354 HydrophobicContact CE1-CD1 3.96Å; Y280-F354 AromaticContact CE1-CE1 3.6Å; Y280-F354 HydrophobicContact CE1-CE1 3.6Å
281	K	98.4	Very high	97.3	Very high	10 Å²	10	37.9 Å²	37.9	4%	0.043	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	120.3	163.3	-174.7	-175.6	-162.6	-172.6	0	108.9	K231 K235 I236 A237 V283 A342 N343	K231-K281 WeakPolarHBondContact O-CD 3.4Å; K231-K281 VanDerWaalsContact O-CE 3.29Å; K231-K281 WeakPolarHBondContact O-CE 3.24Å; K231-K281 WeakPolarHBondContact O-CG 3.45Å; K235-K281 PolarHBondContact O-N 3.49Å; I236-K281 HydrophobicContact CD1-CB 3.89Å; I236-K281 HydrophobicContact CD1-CD 3.87Å; I236-K281 HydrophobicContact CD1-CG 4.35Å; A237-K281 PolarHBondContact N-O 3.35Å; K281-V283 HydrophobicContact CD-CG2 4.21Å; K281-V283 HydrophobicContact CG-CG2 4Å; K281-A342 PolarHBondContact NZ-O 3.35Å; K281-N343 VanDerWaalsContact CD-OD1 3.25Å; K281-N343 WeakPolarHBondContact CD-OD1 3.44Å; K281-N343 PolarHBondContact NZ-OD1 2.83Å
282	V	98.6	Very high	97.1	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.006	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	125.6	176.4	176.1	0	0	0	0	109.2	A237 F239 L272 L275 L276 F284 V316 Q317	A237-V282 WeakPolarHBondContact O-CA 3.33Å; F239-V282 HydrophobicContact CD2-CG1 4.13Å; F239-V282 HydrophobicContact CE2-CG1 4.06Å; L272-V282 HydrophobicContact CD1-CG1 4.45Å; L272-V282 HydrophobicContact CD2-CG1 3.9Å; L272-V282 HydrophobicContact CD2-CG2 4.35Å; L275-V282 HydrophobicContact CB-CG2 4.16Å; L276-V282 HydrophobicContact CD1-CG2 4.43Å; L276-V282 HydrophobicContact CD2-CB 4.44Å; L276-V282 HydrophobicContact CD2-CG2 4.09Å; L276-V282 HydrophobicContact CG-CG2 3.87Å; V282-F284 HydrophobicContact CG1-CD1 4.32Å; V282-F284 HydrophobicContact CG1-CE1 3.8Å; V282-V316 HydrophobicContact CB-CG2 4.22Å; V282-V316 HydrophobicContact CG1-CG1 4.1Å; V282-V316 HydrophobicContact CG1-CG2 3.81Å; V282-Q317 PolarHBondContact O-N 3.14Å
283	V	98.7	Very high	96.8	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	131.7	-177	-174	0	0	0	0	110.4	I236 A237 G238 F239 K281 F285 Q317 F319 L338	I236-V283 HydrophobicContact CG2-CB 4.15Å; I236-V283 HydrophobicContact CG2-CG2 3.83Å; A237-V283 PolarHBondContact O-N 3.45Å; G238-V283 CarbonylContact C-O 3.43Å; G238-V283 VanDerWaalsContact CA-O 3.22Å; G238-V283 WeakPolarHBondContact CA-O 3.5Å; F239-V283 PolarHBondContact N-O 2.69Å; K281-V283 HydrophobicContact CD-CG2 4.21Å; K281-V283 HydrophobicContact CG-CG2 4Å; V283-F285 HydrophobicContact CB-CE2 3.97Å; V283-F285 HydrophobicContact CB-CZ 4.39Å; V283-F285 HydrophobicContact CG1-CD2 4.02Å; V283-F285 HydrophobicContact CG1-CE1 4.1Å; V283-F285 HydrophobicContact CG1-CE2 3.53Å; V283-F285 HydrophobicContact CG1-CZ 3.59Å; V283-Q317 CarbonylContact C-O 3.6Å; V283-Q317 VanDerWaalsContact CA-O 3.28Å; V283-Q317 WeakPolarHBondContact CA-O 3.38Å; V283-Q317 HydrophobicContact CG1-CB 4.46Å; V283-Q317 HydrophobicContact CG2-CB 4.36Å; V283-F319 HydrophobicContact CG1-CD2 3.53Å; V283-F319 HydrophobicContact CG1-CE2 3.6Å; V283-L338 HydrophobicContact CG1-CD2 4.37Å; V283-L338 HydrophobicContact CG2-CD1 4.43Å; V283-L338 HydrophobicContact CG2-CD2 4.1Å
284	F	98.8	Very high	96.5	Very high	1 Å²	1	46 Å²	46	0%	0.004	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	138.9	172.7	-60.7	-12.4	0	0	0	110.4	F239 I241 I245 L272 V282 L309 L312 V316 Q317 V318 F319	F239-F284 HydrophobicContact CB-CD1 3.82Å; F239-F284 HydrophobicContact CB-CE1 4.13Å; F239-F284 HydrophobicContact CD2-CD1 4.15Å; F239-F284 HydrophobicContact CD2-CE1 4.07Å; F239-F284 HydrophobicContact CG-CD1 4.34Å; F239-F284 HydrophobicContact CG-CE1 4.29Å; F239-F284 CarbonylContact O-C 3.48Å; F239-F284 WeakPolarHBondContact O-CA 3.48Å; I241-F284 HydrophobicContact CD1-CB 3.92Å; I241-F284 HydrophobicContact CD1-CD2 3.97Å; I241-F284 HydrophobicContact CD1-CG 4.38Å; I241-F284 HydrophobicContact CG1-CB 3.82Å; I241-F284 HydrophobicContact CG1-CD2 3.92Å; I241-F284 HydrophobicContact CG1-CG 4.11Å; I245-F284 HydrophobicContact CD1-CE1 3.95Å; I245-F284 HydrophobicContact CD1-CZ 4.02Å; I245-F284 HydrophobicContact CG1-CD1 4.4Å; I245-F284 HydrophobicContact CG1-CE1 3.88Å; I245-F284 HydrophobicContact CG1-CE2 4.34Å; I245-F284 HydrophobicContact CG1-CZ 3.85Å; I245-F284 HydrophobicContact CG2-CE2 4.17Å; I245-F284 HydrophobicContact CG2-CZ 4.05Å; L272-F284 HydrophobicContact CD1-CE1 4.11Å; L272-F284 HydrophobicContact CD1-CZ 3.94Å; V282-F284 HydrophobicContact CG1-CD1 4.32Å; V282-F284 HydrophobicContact CG1-CE1 3.8Å; F284-L309 HydrophobicContact CD2-CD2 4.34Å; F284-L309 HydrophobicContact CE2-CD2 3.79Å; F284-L312 HydrophobicContact CE2-CD1 4.12Å; F284-L312 HydrophobicContact CZ-CD1 3.9Å; F284-V316 HydrophobicContact CD1-CG1 3.84Å; F284-V316 HydrophobicContact CD2-CG1 3.86Å; F284-V316 HydrophobicContact CE1-CG1 3.91Å; F284-V316 HydrophobicContact CE2-CG1 3.93Å; F284-V316 HydrophobicContact CG-CG1 3.82Å; F284-V316 HydrophobicContact CZ-CG1 3.96Å; F284-V316 HydrophobicContact CZ-CG2 4.35Å; F284-Q317 PolarHBondContact N-O 2.91Å; F284-V318 HydrophobicContact CB-CB 4.45Å; F284-V318 HydrophobicContact CB-CG1 4.13Å; F284-V318 HydrophobicContact CB-CG2 4.14Å; F284-V318 HydrophobicContact CD2-CG2 4.08Å; F284-V318 HydrophobicContact CG-CG2 4.44Å; F284-V318 CarbonylContact O-C 3.55Å; F284-V318 WeakPolarHBondContact O-CA 3.43Å; F284-F319 PolarHBondContact O-N 3.36Å
285	F	98.8	Very high	96.1	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	108.2	-177.5	-70.2	-76.1	0	0	0	109.1	F239 D240 V283 F319 K329 M334 W335 L338 Y355 F382	F239-F285 PolarHBondContact O-N 2.65Å; D240-F285 VanDerWaalsContact OD1-O 3.08Å; V283-F285 HydrophobicContact CB-CE2 3.97Å; V283-F285 HydrophobicContact CB-CZ 4.39Å; V283-F285 HydrophobicContact CG1-CD2 4.02Å; V283-F285 HydrophobicContact CG1-CE1 4.1Å; V283-F285 HydrophobicContact CG1-CE2 3.53Å; V283-F285 HydrophobicContact CG1-CZ 3.59Å; F285-F319 HydrophobicContact CD1-CB 3.78Å; F285-F319 AromaticContact CD1-CD2 3.98Å; F285-F319 HydrophobicContact CD1-CD2 3.98Å; F285-F319 HydrophobicContact CD1-CG 4.16Å; F285-F319 HydrophobicContact CE1-CB 4.14Å; F285-F319 AromaticContact CE1-CD2 3.59Å; F285-F319 HydrophobicContact CE1-CD2 3.59Å; F285-F319 HydrophobicContact CE1-CE2 4.25Å; F285-F319 AromaticContact CE1-CG 4Å; F285-F319 HydrophobicContact CE1-CG 4Å; F285-F319 HydrophobicContact CZ-CD2 4.25Å; F285-K329 HydrophobicContact CB-CD 4.33Å; F285-K329 VanDerWaalsContact O-CE 3.29Å; F285-K329 WeakPolarHBondContact O-CE 3.42Å; F285-K329 PolarHBondContact O-NZ 2.83Å; F285-M334 HydrophobicContact CB-CE 3.99Å; F285-M334 HydrophobicContact CD1-CB 3.58Å; F285-M334 HydrophobicContact CD1-CE 4.19Å; F285-M334 HydrophobicContact CD1-CG 4.49Å; F285-M334 HydrophobicContact CD1-SD 4.25Å; F285-M334 HydrophobicContact CE1-CB 3.75Å; F285-W335 HydrophobicContact CE2-CE3 4.09Å; F285-W335 HydrophobicContact CE2-CZ3 4.46Å; F285-W335 AromaticContact CZ-CE3 3.92Å; F285-W335 HydrophobicContact CZ-CE3 3.92Å; F285-L338 HydrophobicContact CE2-CD2 4.49Å; F285-L338 HydrophobicContact CZ-CB 4.39Å; F285-L338 HydrophobicContact CZ-CD2 3.77Å; F285-Y355 HydrophobicContact CB-CE2 4.11Å; F285-Y355 HydrophobicContact CD2-CD2 4.36Å; F285-Y355 AromaticContact CD2-CE2 3.83Å; F285-Y355 HydrophobicContact CD2-CE2 3.83Å; F285-Y355 HydrophobicContact CG-CE2 4.41Å; F285-Y355 PolarHBondContact O-OH 2.75Å; F285-Y355 VanDerWaalsContact O-OH 3.12Å; F285-F382 HydrophobicContact CB-CE1 4.19Å; F285-F382 HydrophobicContact CB-CZ 4.48Å; F285-F382 HydrophobicContact CD1-CE1 4.41Å; F285-F382 HydrophobicContact CD1-CZ 4.1Å; F285-F382 HydrophobicContact CD2-CE1 4.1Å; F285-F382 HydrophobicContact CE1-CZ 4.41Å; F285-F382 HydrophobicContact CG-CE1 4Å; F285-F382 HydrophobicContact CG-CZ 4.16Å
286	T	98.4	Very high	95.7	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.006	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	155.4	-170.3	-172.6	0	0	0	0	114.2	I241 Q288 F301 F319 V320 A321	I241-T286 HydrophobicContact CD1-CG2 3.85Å; I241-T286 HydrophobicContact CG1-CG2 4.45Å; T286-Q288 HydrophobicContact CG2-CG 4.03Å; T286-Q288 PolarHBondContact OG1-NE2 3.24Å; T286-F301 HydrophobicContact CG2-CE1 4.21Å; T286-F301 HydrophobicContact CG2-CZ 4.01Å; T286-F319 PolarHBondContact N-O 3.26Å; T286-V320 HydrophobicContact CG2-CB 4.2Å; T286-V320 HydrophobicContact CG2-CG1 4.11Å; T286-V320 HydrophobicContact CG2-CG2 3.87Å; T286-A321 PolarHBondContact O-N 3.31Å
287	N	97.9	Very high	95.4	Very high	26 Å²	26	57 Å²	57	14%	0.139	30%	0.303	C	S	.	.			trans	-115.6	51.9	-156.6	-124.3	14.8	0	0	0	113.9	L289 A321 R328 K329	N287-L289 PolarHBondContact O-N 3.09Å; N287-A321 CarbonylContact C-O 3.49Å; N287-R328 PolarHBondContact O-NH1 3.48Å; N287-R328 VanDerWaalsContact OD1-CG 3.31Å; N287-R328 WeakPolarHBondContact OD1-CG 3.5Å; N287-K329 PolarHBondContact ND2-O 2.77Å; N287-K329 PolarHBondContact OD1-N 3.47Å
288	Q	96	Very high	95.2	Very high	27 Å²	27	50 Å²	50	13%	0.126	28%	0.277	C	S	.	.			trans	-79.2	56.7	-164.1	-59	-61.5	-25.4	0	0	116.9	D242 T286 G290 I291 F301 V320 A321	D242-Q288 PolarHBondContact OD2-NE2 2.88Å; T286-Q288 HydrophobicContact CG2-CG 4.03Å; T286-Q288 PolarHBondContact OG1-NE2 3.24Å; Q288-G290 PolarHBondContact O-N 3.44Å; Q288-I291 HydrophobicContact CB-CD1 3.88Å; Q288-I291 HydrophobicContact CB-CG1 4.28Å; Q288-I291 PolarHBondContact O-N 2.98Å; Q288-F301 HydrophobicContact CG-CD1 4.31Å; Q288-F301 HydrophobicContact CG-CD2 4.26Å; Q288-F301 HydrophobicContact CG-CE1 3.8Å; Q288-F301 HydrophobicContact CG-CE2 3.73Å; Q288-F301 HydrophobicContact CG-CZ 3.5Å; Q288-F301 VanDerWaalsContact CG-CZ 3.5Å; Q288-V320 HydrophobicContact CB-CG1 3.78Å; Q288-V320 HydrophobicContact CG-CG1 3.7Å; Q288-A321 CarbonylContact C-O 3.56Å; Q288-A321 PolarHBondContact N-O 2.97Å
289	L	93.8	Very high	95.1	Very high	33 Å²	33	48.3 Å²	48.3	17%	0.173	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-10.3	176	-176.3	60.1	0	0	0	114.5	N287 I291 R293	N287-L289 PolarHBondContact O-N 3.09Å; L289-I291 PolarHBondContact O-N 3.28Å; L289-R293 HydrophobicContact CG-CG 4.44Å; L289-R293 WeakPolarHBondContact O-CB 3.28Å; L289-R293 WeakPolarHBondContact O-CG 3.42Å; L289-R293 PolarHBondContact O-N 2.65Å
290	G	93.4	Very high	94.9	Very high	23 Å²	23	48.7 Å²	48.7	24%	0.237	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-29.7	170	0	0	0	0	0	113.3	Q288 R293 G294 K295 L296	Q288-G290 PolarHBondContact O-N 3.44Å; G290-R293 PolarHBondContact O-N 3.17Å; G290-G294 PolarHBondContact O-N 2.8Å; G290-K295 PolarHBondContact O-N 3.35Å; G290-L296 PolarHBondContact O-N 3.37Å; G290-L296 VanDerWaalsContact O-N 3.14Å
291	I	93.8	Very high	94.7	Very high	23 Å²	23	46.8 Å²	46.8	12%	0.118	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-59.3	-176.6	-59.9	173.4	0	0	0	110.5	L223 Q288 L289 R293 G294 L296 P298 F301 V320	L223-I291 HydrophobicContact CD1-CD1 4.2Å; Q288-I291 HydrophobicContact CB-CD1 3.88Å; Q288-I291 HydrophobicContact CB-CG1 4.28Å; Q288-I291 PolarHBondContact O-N 2.98Å; L289-I291 PolarHBondContact O-N 3.28Å; I291-R293 PolarHBondContact O-N 2.98Å; I291-G294 PolarHBondContact O-N 3.25Å; I291-L296 WeakPolarHBondContact CA-O 3.31Å; I291-L296 HydrophobicContact CG1-CB 4.21Å; I291-L296 HydrophobicContact CG1-CD2 3.98Å; I291-L296 HydrophobicContact CG1-CG 4.04Å; I291-P298 HydrophobicContact CG2-CB 4.1Å; I291-P298 HydrophobicContact CG2-CG 3.86Å; I291-F301 HydrophobicContact CD1-CB 4.48Å; I291-V320 HydrophobicContact CD1-CG1 4.32Å
292	A	93.4	Very high	94.5	Very high	61 Å²	61	48.4 Å²	48.4	50%	0.504	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-12	176.1	0	0	0	0	0	114.1	S322	A292-S322 WeakPolarHBondContact CB-O 3.39Å; A292-S322 PolarHBondContact N-O 3.23Å
293	R	91.7	Very high	94.4	Very high	172 Å²	172	51.1 Å²	51.1	65%	0.649	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	1.7	172.5	-73.6	179.1	166.7	177	-4.9	113.9	L289 G290 I291 K295	L289-R293 HydrophobicContact CG-CG 4.44Å; L289-R293 WeakPolarHBondContact O-CB 3.28Å; L289-R293 WeakPolarHBondContact O-CG 3.42Å; L289-R293 PolarHBondContact O-N 2.65Å; G290-R293 PolarHBondContact O-N 3.17Å; I291-R293 PolarHBondContact O-N 2.98Å; R293-K295 HydrophobicContact CB-CG 4.26Å; R293-K295 PolarHBondContact O-N 3Å
294	G	91.2	Very high	94.2	Very high	72 Å²	72	52 Å²	52	74%	0.742	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	64	17.2	-177.2	0	0	0	0	0	114.3	G290 I291	G290-G294 PolarHBondContact O-N 2.8Å; I291-G294 PolarHBondContact O-N 3.25Å
295	K	90.3	Very high	94.1	Very high	181 Å²	181	52.1 Å²	52.1	79%	0.787	29%	0.287	S	S	*	.	S	Bend	trans	-96	-15.8	-179.7	-65.4	-165.5	176.3	-166.1	0	113.3	G290 R293	G290-K295 PolarHBondContact O-N 3.35Å; R293-K295 HydrophobicContact CB-CG 4.26Å; R293-K295 PolarHBondContact O-N 3Å
296	L	89.9	Confident	94	Very high	47 Å²	47	55.4 Å²	55.4	25%	0.246	30%	0.303	C	S	.	.	S	Bend	trans	-134.8	126.1	177.9	176.5	58.1	0	0	0	107.9	G290 I291 F301	G290-L296 PolarHBondContact O-N 3.37Å; G290-L296 VanDerWaalsContact O-N 3.14Å; I291-L296 WeakPolarHBondContact CA-O 3.31Å; I291-L296 HydrophobicContact CG1-CB 4.21Å; I291-L296 HydrophobicContact CG1-CD2 3.98Å; I291-L296 HydrophobicContact CG1-CG 4.04Å; L296-F301 HydrophobicContact CD1-CB 4.36Å; L296-F301 HydrophobicContact CD2-CB 4.09Å; L296-F301 HydrophobicContact CD2-CD2 3.81Å; L296-F301 HydrophobicContact CD2-CG 4.16Å; L296-F301 HydrophobicContact CG-CB 4.23Å
297	I	91.6	Very high	93.9	Very high	106 Å²	106	58.7 Å²	58.7	54%	0.544	32%	0.32	S	S	.	.			trans	-75.8	128.5	177.2	-62.6	170.6	0	0	0	107.7	E299 V300 F301	I297-E299 VanDerWaalsContact C-N 3.27Å; I297-E299 HydrophobicContact CG2-CB 4.28Å; I297-E299 PolarHBondContact O-N 2.93Å; I297-V300 HydrophobicContact CB-CB 4.19Å; I297-V300 HydrophobicContact CB-CG2 3.87Å; I297-V300 HydrophobicContact CD1-CG2 4.42Å; I297-V300 HydrophobicContact CG2-CG2 4.04Å; I297-V300 PolarHBondContact O-N 3.42Å; I297-F301 PolarHBondContact O-N 2.71Å
298	P	92.8	Very high	93.8	Very high	39 Å²	39	57.6 Å²	57.6	25%	0.253	31%	0.314	S	S	.	.	H	α-helix	trans	-57.5	-41.1	-176.1	-5.4	7.3	0	0	0	112.3	L223 I291 V300 F301 K302	L223-P298 HydrophobicContact CD1-CB 4.3Å; I291-P298 HydrophobicContact CG2-CB 4.1Å; I291-P298 HydrophobicContact CG2-CG 3.86Å; P298-V300 VanDerWaalsContact C-N 3.34Å; P298-V300 PolarHBondContact O-N 3.27Å; P298-F301 CarbonylContact O-C 3.38Å; P298-F301 WeakPolarHBondContact O-CA 3.15Å; P298-F301 WeakPolarHBondContact O-CB 3.39Å; P298-F301 PolarHBondContact O-N 3.18Å; P298-F301 VanDerWaalsContact O-N 3.09Å; P298-K302 WeakPolarHBondContact O-CG 3.32Å; P298-K302 PolarHBondContact O-N 3.47Å
299	E	93.9	Very high	93.8	Very high	104 Å²	104	56.8 Å²	56.8	49%	0.486	31%	0.311	S	S	.	.	H	α-helix	trans	-65.7	-36.9	-176.6	-69.7	52.7	-115	0	0	111.8	I297 F301 K302 S303	I297-E299 VanDerWaalsContact C-N 3.27Å; I297-E299 HydrophobicContact CG2-CB 4.28Å; I297-E299 PolarHBondContact O-N 2.93Å; E299-F301 VanDerWaalsContact C-N 3.33Å; E299-K302 PolarHBondContact O-N 2.92Å; E299-K302 IonicContact OE1-NZ 2.72Å; E299-K302 PolarHBondContact OE1-NZ 3.47Å; E299-S303 PolarHBondContact O-N 2.88Å
300	V	92.5	Very high	93.9	Very high	53 Å²	53	60.1 Å²	60.1	32%	0.321	33%	0.333	S	S	.	.	H	α-helix	trans	-67.7	-35.8	174.2	177.2	0	0	0	0	110.8	P258 I297 P298 K304	P258-V300 HydrophobicContact CB-CG1 3.63Å; P258-V300 HydrophobicContact CG-CG1 3.62Å; I297-V300 HydrophobicContact CB-CB 4.19Å; I297-V300 HydrophobicContact CB-CG2 3.87Å; I297-V300 HydrophobicContact CD1-CG2 4.42Å; I297-V300 HydrophobicContact CG2-CG2 4.04Å; I297-V300 PolarHBondContact O-N 3.42Å; P298-V300 VanDerWaalsContact C-N 3.34Å; P298-V300 PolarHBondContact O-N 3.27Å; V300-K304 PolarHBondContact O-N 2.86Å; V300-K304 VanDerWaalsContact O-N 3.11Å
301	F	94.3	Very high	94	Very high	3 Å²	3	62.7 Å²	62.7	1%	0.013	34%	0.344	C	S	.	.	H	α-helix	trans	-72.3	-36.9	173.3	-170.3	-96.4	0	0	0	112.7	T286 Q288 I291 L296 I297 P298 E299 K304 V305 V320	T286-F301 HydrophobicContact CG2-CE1 4.21Å; T286-F301 HydrophobicContact CG2-CZ 4.01Å; Q288-F301 HydrophobicContact CG-CD1 4.31Å; Q288-F301 HydrophobicContact CG-CD2 4.26Å; Q288-F301 HydrophobicContact CG-CE1 3.8Å; Q288-F301 HydrophobicContact CG-CE2 3.73Å; Q288-F301 HydrophobicContact CG-CZ 3.5Å; Q288-F301 VanDerWaalsContact CG-CZ 3.5Å; I291-F301 HydrophobicContact CD1-CB 4.48Å; L296-F301 HydrophobicContact CD1-CB 4.36Å; L296-F301 HydrophobicContact CD2-CB 4.09Å; L296-F301 HydrophobicContact CD2-CD2 3.81Å; L296-F301 HydrophobicContact CD2-CG 4.16Å; L296-F301 HydrophobicContact CG-CB 4.23Å; I297-F301 PolarHBondContact O-N 2.71Å; P298-F301 CarbonylContact O-C 3.38Å; P298-F301 WeakPolarHBondContact O-CA 3.15Å; P298-F301 WeakPolarHBondContact O-CB 3.39Å; P298-F301 PolarHBondContact O-N 3.18Å; P298-F301 VanDerWaalsContact O-N 3.09Å; E299-F301 VanDerWaalsContact C-N 3.33Å; F301-K304 HydrophobicContact CD2-CD 4.35Å; F301-K304 HydrophobicContact CE2-CD 4.32Å; F301-K304 PolarHBondContact O-N 2.91Å; F301-V305 HydrophobicContact CD1-CG2 4.02Å; F301-V305 HydrophobicContact CE1-CG2 3.45Å; F301-V305 VanDerWaalsContact CE1-CG2 3.45Å; F301-V305 HydrophobicContact CZ-CG2 3.8Å; F301-V305 WeakPolarHBondContact O-CG2 3.28Å; F301-V305 PolarHBondContact O-N 3.08Å; F301-V320 HydrophobicContact CD1-CG1 4.11Å; F301-V320 HydrophobicContact CD1-CG2 4.48Å; F301-V320 HydrophobicContact CE1-CB 4.5Å; F301-V320 HydrophobicContact CE1-CG1 3.79Å; F301-V320 HydrophobicContact CE1-CG2 3.84Å
302	K	95.8	Very high	94.1	Very high	44 Å²	44	61.7 Å²	61.7	19%	0.191	34%	0.339	C	S	.	.	H	α-helix	trans	-58.4	-49.3	173.6	-69.6	172.5	-172.7	157.8	0	110.8	W216 P298 E299 K304 V305 E306	W216-K302 HydrophobicContact CD2-CB 4.32Å; W216-K302 HydrophobicContact CD2-CD 4.06Å; W216-K302 HydrophobicContact CD2-CG 3.77Å; W216-K302 HydrophobicContact CE3-CD 4.48Å; W216-K302 HydrophobicContact CE3-CG 4.03Å; W216-K302 HydrophobicContact CG-CD 4.21Å; W216-K302 HydrophobicContact CG-CG 4.41Å; W216-K302 HydrophobicContact CH2-CB 4.33Å; W216-K302 HydrophobicContact CH2-CG 4Å; W216-K302 VanDerWaalsContact CZ2-CA 3.5Å; W216-K302 HydrophobicContact CZ2-CB 3.66Å; W216-K302 HydrophobicContact CZ2-CG 3.74Å; W216-K302 HydrophobicContact CZ3-CG 4.14Å; P298-K302 WeakPolarHBondContact O-CG 3.32Å; P298-K302 PolarHBondContact O-N 3.47Å; E299-K302 PolarHBondContact O-N 2.92Å; E299-K302 IonicContact OE1-NZ 2.72Å; E299-K302 PolarHBondContact OE1-NZ 3.47Å; K302-K304 PolarHBondContact O-N 3.06Å; K302-V305 PolarHBondContact O-N 3.28Å; K302-V305 VanDerWaalsContact O-N 3.16Å; K302-E306 PolarHBondContact O-N 3.29Å
303	S	95.3	Very high	94.2	Very high	57 Å²	57	66.6 Å²	66.6	40%	0.399	35%	0.351	S	S	.	.	H	α-helix	trans	-55.4	-51.8	173.5	-169.7	0	0	0	0	111.4	E299 V305 E306 D307	E299-S303 PolarHBondContact O-N 2.88Å; S303-V305 PolarHBondContact O-N 3.01Å; S303-V305 VanDerWaalsContact O-N 3.16Å; S303-E306 CarbonylContact O-C 3.58Å; S303-E306 WeakPolarHBondContact O-CA 3.23Å; S303-E306 WeakPolarHBondContact O-CB 3.5Å; S303-E306 PolarHBondContact O-N 3.23Å; S303-D307 PolarHBondContact O-N 2.79Å
304	K	95.4	Very high	94.3	Very high	20 Å²	20	59.6 Å²	59.6	9%	0.087	33%	0.327	C	S	.	.	H	α-helix	trans	-53.5	-40	177.8	179.8	-172.2	169.7	-164.1	0	112.2	D242 V300 F301 K302 I308	D242-K304 IonicContact OD1-NZ 2.73Å; D242-K304 PolarHBondContact OD1-NZ 3.49Å; D242-K304 IonicContact OD2-NZ 3.97Å; D242-K304 PolarHBondContact OD2-NZ 3.31Å; V300-K304 PolarHBondContact O-N 2.86Å; V300-K304 VanDerWaalsContact O-N 3.11Å; F301-K304 HydrophobicContact CD2-CD 4.35Å; F301-K304 HydrophobicContact CE2-CD 4.32Å; F301-K304 PolarHBondContact O-N 2.91Å; K302-K304 PolarHBondContact O-N 3.06Å; K304-I308 HydrophobicContact CG-CD1 4.04Å; K304-I308 VanDerWaalsContact O-CD1 3.29Å; K304-I308 WeakPolarHBondContact O-CD1 3.36Å; K304-I308 WeakPolarHBondContact O-CG1 3.5Å; K304-I308 PolarHBondContact O-N 2.91Å; K304-I308 VanDerWaalsContact O-N 3.13Å
305	V	96.4	Very high	94.5	Very high	2 Å²	2	58 Å²	58	1%	0.012	30%	0.303	C	S	.	.	H	α-helix	trans	-66.8	-44.8	176.2	169.2	0	0	0	0	111.3	W216 F301 K302 S303 D307 I308 L309 V318	W216-V305 HydrophobicContact CH2-CB 4.08Å; W216-V305 HydrophobicContact CH2-CG1 4.02Å; W216-V305 HydrophobicContact CH2-CG2 4.31Å; W216-V305 HydrophobicContact CZ2-CB 4.01Å; W216-V305 HydrophobicContact CZ2-CG1 4.02Å; F301-V305 HydrophobicContact CD1-CG2 4.02Å; F301-V305 HydrophobicContact CE1-CG2 3.45Å; F301-V305 VanDerWaalsContact CE1-CG2 3.45Å; F301-V305 HydrophobicContact CZ-CG2 3.8Å; F301-V305 WeakPolarHBondContact O-CG2 3.28Å; F301-V305 PolarHBondContact O-N 3.08Å; K302-V305 PolarHBondContact O-N 3.28Å; K302-V305 VanDerWaalsContact O-N 3.16Å; S303-V305 PolarHBondContact O-N 3.01Å; S303-V305 VanDerWaalsContact O-N 3.16Å; V305-D307 VanDerWaalsContact C-N 3.35Å; V305-D307 PolarHBondContact O-N 3.44Å; V305-I308 PolarHBondContact O-N 3.43Å; V305-L309 HydrophobicContact CG1-CD1 4.29Å; V305-L309 HydrophobicContact CG1-CG 4.49Å; V305-L309 WeakPolarHBondContact O-CG 3.4Å; V305-L309 PolarHBondContact O-N 2.94Å; V305-V318 HydrophobicContact CG1-CB 4.2Å; V305-V318 HydrophobicContact CG1-CG1 4.1Å; V305-V318 HydrophobicContact CG1-CG2 3.86Å
306	E	95.9	Very high	94.8	Very high	69 Å²	69	49.4 Å²	49.4	32%	0.322	27%	0.266	S	S	.	.	H	α-helix	trans	-62.6	-39.7	176.7	-69.7	174.8	179.2	0	0	112.2	W216 Y225 K302 S303 I308 L309 T310	W216-E306 VanDerWaalsContact CD1-OE1 3.31Å; W216-E306 PolarHBondContact NE1-OE1 2.93Å; Y225-E306 HydrophobicContact CE2-CG 3.99Å; Y225-E306 WeakPolarHBondContact CE2-OE1 3.32Å; K302-E306 PolarHBondContact O-N 3.29Å; S303-E306 CarbonylContact O-C 3.58Å; S303-E306 WeakPolarHBondContact O-CA 3.23Å; S303-E306 WeakPolarHBondContact O-CB 3.5Å; S303-E306 PolarHBondContact O-N 3.23Å; E306-I308 PolarHBondContact O-N 2.71Å; E306-L309 PolarHBondContact O-N 3.03Å; E306-T310 VanDerWaalsContact O-CB 3.29Å; E306-T310 WeakPolarHBondContact O-CB 3.44Å; E306-T310 PolarHBondContact O-N 2.73Å; E306-T310 PolarHBondContact O-OG1 2.74Å
307	D	96.4	Very high	95.2	Very high	71 Å²	71	47.2 Å²	47.2	38%	0.38	25%	0.254	S	S	.	.	H	α-helix	trans	-63.6	-40.7	176	-57.5	-43.5	0	0	0	111.7	W261 S303 V305 T311	W261-D307 HydrophobicContact CZ2-CB 3.71Å; S303-D307 PolarHBondContact O-N 2.79Å; V305-D307 VanDerWaalsContact C-N 3.35Å; V305-D307 PolarHBondContact O-N 3.44Å; D307-T311 WeakPolarHBondContact O-CB 3.41Å; D307-T311 PolarHBondContact O-N 2.66Å; D307-T311 PolarHBondContact O-OG1 1.89Å
308	I	96.2	Very high	95.5	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.01	23%	0.228	C	C	.	.	H	α-helix	trans	-64.3	-46.4	175.5	-69	162	0	0	0	110.6	I241 I245 I246 W261 K304 V305 E306 T311 L312	I241-I308 HydrophobicContact CG2-CD1 4.14Å; I245-I308 HydrophobicContact CG2-CG2 4.34Å; I246-I308 HydrophobicContact CD1-CD1 3.67Å; I246-I308 HydrophobicContact CG1-CD1 4.34Å; I246-I308 HydrophobicContact CG2-CD1 4.08Å; I246-I308 HydrophobicContact CG2-CG1 4.09Å; I246-I308 HydrophobicContact CG2-CG2 4.35Å; W261-I308 HydrophobicContact CD2-CD1 4.43Å; W261-I308 HydrophobicContact CD2-CG1 3.88Å; W261-I308 HydrophobicContact CE3-CG1 3.74Å; W261-I308 HydrophobicContact CH2-CB 4.33Å; W261-I308 HydrophobicContact CH2-CG1 3.72Å; W261-I308 HydrophobicContact CZ2-CG1 3.86Å; W261-I308 HydrophobicContact CZ3-CB 4.44Å; W261-I308 HydrophobicContact CZ3-CG1 3.66Å; K304-I308 HydrophobicContact CG-CD1 4.04Å; K304-I308 VanDerWaalsContact O-CD1 3.29Å; K304-I308 WeakPolarHBondContact O-CD1 3.36Å; K304-I308 WeakPolarHBondContact O-CG1 3.5Å; K304-I308 PolarHBondContact O-N 2.91Å; K304-I308 VanDerWaalsContact O-N 3.13Å; V305-I308 PolarHBondContact O-N 3.43Å; E306-I308 PolarHBondContact O-N 2.71Å; I308-T311 WeakPolarHBondContact O-CB 3.27Å; I308-T311 PolarHBondContact O-N 3.19Å; I308-L312 HydrophobicContact CG2-CD1 4.07Å; I308-L312 WeakPolarHBondContact O-CG 3.26Å; I308-L312 PolarHBondContact O-N 3.06Å
309	L	95.8	Very high	95.8	Very high	11 Å²	11	40.3 Å²	40.3	6%	0.058	22%	0.216	C	C	.	.	H	α-helix	trans	-69.2	-36.2	-179.6	-64.5	-173.3	0	0	0	112.2	Y225 F284 V305 E306 T311 L312 Q313 V316 V318	Y225-L309 HydrophobicContact CD1-CD1 3.71Å; Y225-L309 HydrophobicContact CE1-CD1 3.61Å; F284-L309 HydrophobicContact CD2-CD2 4.34Å; F284-L309 HydrophobicContact CE2-CD2 3.79Å; V305-L309 HydrophobicContact CG1-CD1 4.29Å; V305-L309 HydrophobicContact CG1-CG 4.49Å; V305-L309 WeakPolarHBondContact O-CG 3.4Å; V305-L309 PolarHBondContact O-N 2.94Å; E306-L309 PolarHBondContact O-N 3.03Å; L309-T311 VanDerWaalsContact C-N 3.32Å; L309-L312 HydrophobicContact CD2-CD1 4.41Å; L309-L312 PolarHBondContact O-N 3.2Å; L309-Q313 PolarHBondContact O-N 3.43Å; L309-V316 HydrophobicContact CD1-CB 4.4Å; L309-V316 HydrophobicContact CD2-CB 3.65Å; L309-V316 HydrophobicContact CD2-CG1 4.02Å; L309-V316 HydrophobicContact CD2-CG2 4.02Å; L309-V318 HydrophobicContact CD1-CG2 3.98Å
310	T	95.2	Very high	96	Very high	102 Å²	102	35.3 Å²	35.3	63%	0.626	19%	0.193	S	C	*	.	H	α-helix	trans	-63.1	-38.6	171.5	-57.2	0	0	0	0	111.3	E306 Q313	E306-T310 VanDerWaalsContact O-CB 3.29Å; E306-T310 WeakPolarHBondContact O-CB 3.44Å; E306-T310 PolarHBondContact O-N 2.73Å; E306-T310 PolarHBondContact O-OG1 2.74Å; T310-Q313 WeakPolarHBondContact O-CG 3.41Å; T310-Q313 PolarHBondContact O-N 2.98Å
311	T	95.9	Very high	96.3	Very high	77 Å²	77	32.8 Å²	32.8	47%	0.472	18%	0.178	S	C	.	.	H	α-helix	trans	-69.5	-36.2	175.9	-60.3	0	0	0	0	112.5	W261 I263 D307 I308 L309	W261-T311 HydrophobicContact CH2-CG2 4.44Å; I263-T311 HydrophobicContact CD1-CG2 4.32Å; I263-T311 HydrophobicContact CG1-CG2 4.2Å; D307-T311 WeakPolarHBondContact O-CB 3.41Å; D307-T311 PolarHBondContact O-N 2.66Å; D307-T311 PolarHBondContact O-OG1 1.89Å; I308-T311 WeakPolarHBondContact O-CB 3.27Å; I308-T311 PolarHBondContact O-N 3.19Å; L309-T311 VanDerWaalsContact C-N 3.32Å
312	L	95.6	Very high	96.4	Very high	2 Å²	2	33 Å²	33	1%	0.01	18%	0.18	C	C	.	.	H	α-helix	trans	-75.9	-30.3	175.8	-71	171.4	0	0	0	112.8	I245 I263 I268 Q269 L272 F284 I308 L309 L314	I245-L312 HydrophobicContact CG2-CD1 4.19Å; I263-L312 HydrophobicContact CD1-CD2 3.98Å; I263-L312 HydrophobicContact CD1-CG 4.22Å; I268-L312 HydrophobicContact CG2-CD2 4.48Å; Q269-L312 HydrophobicContact CB-CD2 3.97Å; Q269-L312 HydrophobicContact CG-CD2 3.99Å; Q269-L312 VanDerWaalsContact CG-O 3.29Å; Q269-L312 WeakPolarHBondContact CG-O 3.3Å; Q269-L312 PolarHBondContact NE2-O 2.83Å; L272-L312 HydrophobicContact CD1-CD1 4.17Å; F284-L312 HydrophobicContact CE2-CD1 4.12Å; F284-L312 HydrophobicContact CZ-CD1 3.9Å; I308-L312 HydrophobicContact CG2-CD1 4.07Å; I308-L312 WeakPolarHBondContact O-CG 3.26Å; I308-L312 PolarHBondContact O-N 3.06Å; L309-L312 HydrophobicContact CD2-CD1 4.41Å; L309-L312 PolarHBondContact O-N 3.2Å; L312-L314 VanDerWaalsContact C-N 3.34Å
313	Q	95.5	Very high	96.3	Very high	165 Å²	165	31 Å²	31	77%	0.771	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.9	40	-174	-54.2	179.6	28.3	0	0	113.2	L309 T310	L309-Q313 PolarHBondContact O-N 3.43Å; T310-Q313 WeakPolarHBondContact O-CG 3.41Å; T310-Q313 PolarHBondContact O-N 2.98Å
314	L	93.9	Very high	96.2	Very high	24 Å²	24	31.3 Å²	31.3	13%	0.126	17%	0.172	C	C	.	.	S	Bend	trans	-129.2	141.4	-176.6	-64	177.5	0	0	0	112.6	L272 A273 L276 L312 V316	L272-L314 HydrophobicContact CB-CD1 3.42Å; L272-L314 VanDerWaalsContact CB-CD1 3.42Å; L272-L314 HydrophobicContact CD1-CD1 4.42Å; A273-L314 HydrophobicContact CB-CD1 4.38Å; A273-L314 HydrophobicContact CB-CD2 3.99Å; L276-L314 HydrophobicContact CD1-CB 3.96Å; L276-L314 HydrophobicContact CD1-CD1 4.26Å; L276-L314 HydrophobicContact CD1-CD2 3.89Å; L276-L314 HydrophobicContact CD1-CG 4.25Å; L312-L314 VanDerWaalsContact C-N 3.34Å; L314-V316 HydrophobicContact CB-CG2 4.19Å; L314-V316 PolarHBondContact O-N 2.86Å; L314-V316 VanDerWaalsContact O-N 3.12Å
315	P	95.2	Very high	96	Very high	39 Å²	39	31.6 Å²	31.6	25%	0.253	18%	0.181	S	C	.	.			trans	-70.4	105	172.5	28.7	-34.3	0	0	0	110.6	V230 L276	V230-P315 HydrophobicContact CG2-CB 3.94Å; L276-P315 HydrophobicContact CD1-CG 4.15Å; L276-P315 HydrophobicContact CD2-CG 4.27Å
316	V	97.3	Very high	96	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.195	C	C	.	.			trans	-126.6	143.3	-178.8	176.4	0	0	0	0	110	A227 V282 F284 L309 L314 V318	A227-V316 VanDerWaalsContact CB-O 3.26Å; A227-V316 WeakPolarHBondContact CB-O 3.28Å; A227-V316 PolarHBondContact N-O 3.32Å; V282-V316 HydrophobicContact CB-CG2 4.22Å; V282-V316 HydrophobicContact CG1-CG1 4.1Å; V282-V316 HydrophobicContact CG1-CG2 3.81Å; F284-V316 HydrophobicContact CD1-CG1 3.84Å; F284-V316 HydrophobicContact CD2-CG1 3.86Å; F284-V316 HydrophobicContact CE1-CG1 3.91Å; F284-V316 HydrophobicContact CE2-CG1 3.93Å; F284-V316 HydrophobicContact CG-CG1 3.82Å; F284-V316 HydrophobicContact CZ-CG1 3.96Å; F284-V316 HydrophobicContact CZ-CG2 4.35Å; L309-V316 HydrophobicContact CD1-CB 4.4Å; L309-V316 HydrophobicContact CD2-CB 3.65Å; L309-V316 HydrophobicContact CD2-CG1 4.02Å; L309-V316 HydrophobicContact CD2-CG2 4.02Å; L314-V316 HydrophobicContact CB-CG2 4.19Å; L314-V316 PolarHBondContact O-N 2.86Å; L314-V316 VanDerWaalsContact O-N 3.12Å; V316-V318 HydrophobicContact CG1-CG2 4.18Å
317	Q	98.1	Very high	96	Very high	1 Å²	1	33 Å²	33	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	140.8	168.9	-168.2	173.9	25.3	0	0	109.8	Y225 I226 V230 V282 V283 F284 F319 L338 A342	Y225-Q317 CarbonylContact O-C 3.55Å; Y225-Q317 WeakPolarHBondContact O-CA 3.48Å; Y225-Q317 WeakPolarHBondContact O-CG 3.41Å; I226-Q317 HydrophobicContact CG1-CG 4.24Å; V230-Q317 HydrophobicContact CG1-CB 4.44Å; V282-Q317 PolarHBondContact O-N 3.14Å; V283-Q317 CarbonylContact C-O 3.6Å; V283-Q317 VanDerWaalsContact CA-O 3.28Å; V283-Q317 WeakPolarHBondContact CA-O 3.38Å; V283-Q317 HydrophobicContact CG1-CB 4.46Å; V283-Q317 HydrophobicContact CG2-CB 4.36Å; F284-Q317 PolarHBondContact N-O 2.91Å; Q317-F319 HydrophobicContact CG-CD2 4.48Å; Q317-F319 HydrophobicContact CG-CE2 3.72Å; Q317-F319 HydrophobicContact CG-CZ 4.08Å; Q317-L338 VanDerWaalsContact OE1-CD1 3.29Å; Q317-A342 VanDerWaalsContact NE2-CB 3.33Å; Q317-A342 PolarHBondContact NE2-O 2.78Å; Q317-A342 PolarHBondContact OE1-O 3.23Å
318	V	98.6	Very high	96	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	130.4	-175.9	-174.9	0	0	0	0	110.5	F224 Y225 I241 F284 V305 L309 V316 V320	F224-V318 CarbonylContact C-O 2.96Å; F224-V318 WeakPolarHBondContact CA-O 3.41Å; F224-V318 VanDerWaalsContact CB-O 3.26Å; F224-V318 WeakPolarHBondContact CB-O 3.47Å; Y225-V318 PolarHBondContact N-O 3.28Å; Y225-V318 PolarHBondContact O-N 3.27Å; I241-V318 HydrophobicContact CD1-CG1 3.89Å; F284-V318 HydrophobicContact CB-CB 4.45Å; F284-V318 HydrophobicContact CB-CG1 4.13Å; F284-V318 HydrophobicContact CB-CG2 4.14Å; F284-V318 HydrophobicContact CD2-CG2 4.08Å; F284-V318 HydrophobicContact CG-CG2 4.44Å; F284-V318 CarbonylContact O-C 3.55Å; F284-V318 WeakPolarHBondContact O-CA 3.43Å; V305-V318 HydrophobicContact CG1-CB 4.2Å; V305-V318 HydrophobicContact CG1-CG1 4.1Å; V305-V318 HydrophobicContact CG1-CG2 3.86Å; L309-V318 HydrophobicContact CD1-CG2 3.98Å; V316-V318 HydrophobicContact CG1-CG2 4.18Å; V318-V320 HydrophobicContact CG1-CG2 4.04Å
319	F	98.6	Very high	96.1	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	134.7	173.9	-65	-89.1	0	0	0	110.4	L222 F224 V283 F284 F285 T286 Q317 M334 L338 A342	L222-F319 HydrophobicContact CD1-CB 4.28Å; L222-F319 HydrophobicContact CD1-CD1 4.26Å; L222-F319 HydrophobicContact CD2-CD1 4.23Å; F224-F319 HydrophobicContact CB-CD1 3.59Å; F224-F319 HydrophobicContact CB-CE1 3.87Å; F224-F319 HydrophobicContact CB-CG 4.26Å; F224-F319 HydrophobicContact CD2-CE1 4.34Å; F224-F319 HydrophobicContact CG-CD1 4.22Å; F224-F319 HydrophobicContact CG-CE1 4.08Å; V283-F319 HydrophobicContact CG1-CD2 3.53Å; V283-F319 HydrophobicContact CG1-CE2 3.6Å; F284-F319 PolarHBondContact O-N 3.36Å; F285-F319 HydrophobicContact CD1-CB 3.78Å; F285-F319 AromaticContact CD1-CD2 3.98Å; F285-F319 HydrophobicContact CD1-CD2 3.98Å; F285-F319 HydrophobicContact CD1-CG 4.16Å; F285-F319 HydrophobicContact CE1-CB 4.14Å; F285-F319 AromaticContact CE1-CD2 3.59Å; F285-F319 HydrophobicContact CE1-CD2 3.59Å; F285-F319 HydrophobicContact CE1-CE2 4.25Å; F285-F319 AromaticContact CE1-CG 4Å; F285-F319 HydrophobicContact CE1-CG 4Å; F285-F319 HydrophobicContact CZ-CD2 4.25Å; T286-F319 PolarHBondContact N-O 3.26Å; Q317-F319 HydrophobicContact CG-CD2 4.48Å; Q317-F319 HydrophobicContact CG-CE2 3.72Å; Q317-F319 HydrophobicContact CG-CZ 4.08Å; F319-M334 HydrophobicContact CB-CB 4.11Å; F319-M334 HydrophobicContact CB-CG 4.1Å; F319-M334 HydrophobicContact CB-SD 3.65Å; F319-L338 HydrophobicContact CE2-CB 3.95Å; F319-L338 HydrophobicContact CE2-CD1 4.08Å; F319-L338 HydrophobicContact CE2-CG 4.47Å; F319-L338 HydrophobicContact CZ-CB 3.85Å; F319-L338 HydrophobicContact CZ-CD1 4.17Å; F319-A342 HydrophobicContact CE1-CB 4.45Å; F319-A342 HydrophobicContact CZ-CB 4.02Å
320	V	98.5	Very high	96.2	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	106.4	-170.5	-173.6	0	0	0	0	109.6	W216 L223 T286 Q288 I291 F301 V318 S322	W216-V320 HydrophobicContact CZ3-CG2 4.34Å; L223-V320 HydrophobicContact CB-CB 4.12Å; L223-V320 PolarHBondContact N-O 3.4Å; L223-V320 PolarHBondContact O-N 3.04Å; T286-V320 HydrophobicContact CG2-CB 4.2Å; T286-V320 HydrophobicContact CG2-CG1 4.11Å; T286-V320 HydrophobicContact CG2-CG2 3.87Å; Q288-V320 HydrophobicContact CB-CG1 3.78Å; Q288-V320 HydrophobicContact CG-CG1 3.7Å; I291-V320 HydrophobicContact CD1-CG1 4.32Å; F301-V320 HydrophobicContact CD1-CG1 4.11Å; F301-V320 HydrophobicContact CD1-CG2 4.48Å; F301-V320 HydrophobicContact CE1-CB 4.5Å; F301-V320 HydrophobicContact CE1-CG1 3.79Å; F301-V320 HydrophobicContact CE1-CG2 3.84Å; V318-V320 HydrophobicContact CG1-CG2 4.04Å; V320-S322 PolarHBondContact O-N 3.04Å; V320-S322 VanDerWaalsContact O-N 3.07Å
321	A	98.1	Very high	96.3	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	93.9	171.3	0	0	0	0	0	109.8	T286 N287 Q288 G323 Y327 R328 M334	T286-A321 PolarHBondContact O-N 3.31Å; N287-A321 CarbonylContact C-O 3.49Å; Q288-A321 CarbonylContact C-O 3.56Å; Q288-A321 PolarHBondContact N-O 2.97Å; A321-G323 VanDerWaalsContact C-N 3.29Å; A321-G323 PolarHBondContact O-N 2.92Å; A321-Y327 WeakPolarHBondContact CB-O 3.47Å; A321-R328 HydrophobicContact CB-CB 4.44Å; A321-M334 HydrophobicContact CB-CE 4.23Å; A321-M334 HydrophobicContact CB-SD 4.01Å
322	S	96.7	Very high	96.4	Very high	8 Å²	8	25.7 Å²	25.7	6%	0.056	14%	0.137	C	C	.	.			trans	-76.2	-16.1	-174.1	64.8	0	0	0	0	113.5	N221 A292 V320	N221-S322 PolarHBondContact O-N 2.85Å; N221-S322 PolarHBondContact O-OG 3.05Å; N221-S322 VanDerWaalsContact O-OG 3.07Å; A292-S322 WeakPolarHBondContact CB-O 3.39Å; A292-S322 PolarHBondContact N-O 3.23Å; V320-S322 PolarHBondContact O-N 3.04Å; V320-S322 VanDerWaalsContact O-N 3.07Å
323	G	94.6	Very high	96.5	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.01	14%	0.142	C	C	.	.	S	Bend	trans	-140.7	-171.9	-178.2	0	0	0	0	0	114.4	A321	A321-G323 VanDerWaalsContact C-N 3.29Å; A321-G323 PolarHBondContact O-N 2.92Å
324	P	91.9	Very high	96.6	Very high	64 Å²	64	18.2 Å²	18.2	42%	0.416	11%	0.105	S	C	.	.	S	Bend	trans	-75.6	171.1	170	34.7	-35.4	0	0	0	111.3	N221	N221-P324 PolarHBondContact ND2-O 3.16Å
325	G	92.1	Very high	96.8	Very high	26 Å²	26	17.4 Å²	17.4	27%	0.268	10%	0.1	S	C	.	.	S	Bend	trans	102.7	-163.9	176.8	0	0	0	0	0	113.3	Y327 R328	G325-Y327 PolarHBondContact O-N 2.93Å; G325-R328 WeakPolarHBondContact O-CB 3.42Å; G325-R328 PolarHBondContact O-N 3.41Å
326	V	95.1	Very high	96.9	Very high	52 Å²	52	18.4 Å²	18.4	32%	0.315	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-27.2	-165.5	-63.2	0	0	0	0	115.9	V331 G333 M535 L586	V326-V331 HydrophobicContact CB-CG1 4.48Å; V326-V331 WeakPolarHBondContact O-CB 3.44Å; V326-V331 VanDerWaalsContact O-CG1 3.31Å; V326-V331 WeakPolarHBondContact O-CG1 3.31Å; V326-G333 WeakPolarHBondContact O-CA 3.34Å; V326-G333 PolarHBondContact O-N 2.84Å; V326-M535 HydrophobicContact CG1-CB 3.88Å; V326-M535 HydrophobicContact CG1-CG 4.15Å; V326-M535 HydrophobicContact CG1-SD 4.13Å; V326-L586 HydrophobicContact CG1-CD1 4.37Å
327	Y	96.5	Very high	96.9	Very high	47 Å²	47	18.9 Å²	18.9	18%	0.184	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-18.9	178.3	-62.4	-64.2	0	0	0	113.5	N221 L222 A321 G325 K329 G333 M334 H337	N221-Y327 HydrophobicContact CB-CD2 4.43Å; L222-Y327 HydrophobicContact CB-CD1 4.04Å; L222-Y327 HydrophobicContact CB-CD2 3.86Å; L222-Y327 HydrophobicContact CB-CE1 4.1Å; L222-Y327 HydrophobicContact CB-CE2 3.88Å; L222-Y327 HydrophobicContact CB-CG 3.94Å; L222-Y327 HydrophobicContact CD1-CD1 4.17Å; L222-Y327 HydrophobicContact CD1-CG 4.37Å; L222-Y327 HydrophobicContact CD2-CD1 3.96Å; L222-Y327 HydrophobicContact CD2-CE1 3.7Å; L222-Y327 HydrophobicContact CG-CD1 4.29Å; L222-Y327 HydrophobicContact CG-CE1 4.39Å; A321-Y327 WeakPolarHBondContact CB-O 3.47Å; G325-Y327 PolarHBondContact O-N 2.93Å; Y327-K329 PolarHBondContact O-N 3.38Å; Y327-G333 VanDerWaalsContact CD1-C 3.47Å; Y327-M334 HydrophobicContact CD1-CG 4.26Å; Y327-M334 WeakPolarHBondContact O-CE 3.16Å; Y327-M334 WeakPolarHBondContact O-CG 3.48Å; Y327-H337 HydrophobicContact CE1-CB 4.34Å
328	R	96.9	Very high	96.9	Very high	79 Å²	79	18.8 Å²	18.8	30%	0.298	11%	0.105	S	C	.	.	S	Bend	trans	-78.9	120	-174.2	-173.7	173.7	175.3	69	7.7	111	N287 A321 G325 V331	N287-R328 PolarHBondContact O-NH1 3.48Å; N287-R328 VanDerWaalsContact OD1-CG 3.31Å; N287-R328 WeakPolarHBondContact OD1-CG 3.5Å; A321-R328 HydrophobicContact CB-CB 4.44Å; G325-R328 WeakPolarHBondContact O-CB 3.42Å; G325-R328 PolarHBondContact O-N 3.41Å; R328-V331 WeakPolarHBondContact O-CB 3.49Å; R328-V331 PolarHBondContact O-N 2.96Å
329	K	97.9	Very high	96.8	Very high	3 Å²	3	20.7 Å²	20.7	1%	0.013	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	134.7	172	-56.6	-175.6	-71.1	175.9	0	109.5	D240 F285 N287 Y327 M334 Y355 D379 F382	D240-K329 IonicContact OD1-NZ 3.58Å; D240-K329 PolarHBondContact OD1-NZ 2.92Å; F285-K329 HydrophobicContact CB-CD 4.33Å; F285-K329 VanDerWaalsContact O-CE 3.29Å; F285-K329 WeakPolarHBondContact O-CE 3.42Å; F285-K329 PolarHBondContact O-NZ 2.83Å; N287-K329 PolarHBondContact ND2-O 2.77Å; N287-K329 PolarHBondContact OD1-N 3.47Å; Y327-K329 PolarHBondContact O-N 3.38Å; K329-M334 HydrophobicContact CD-CE 4.11Å; K329-M334 HydrophobicContact CG-CE 3.6Å; K329-Y355 HydrophobicContact CD-CE1 4.5Å; K329-Y355 PolarHBondContact NZ-OH 3.4Å; K329-D379 WeakPolarHBondContact CE-OD1 3.48Å; K329-D379 IonicContact NZ-OD1 3.6Å; K329-D379 PolarHBondContact NZ-OD1 3.41Å; K329-F382 HydrophobicContact CB-CB 4.19Å; K329-F382 HydrophobicContact CB-CD2 4.17Å; K329-F382 HydrophobicContact CB-CG 4.26Å; K329-F382 HydrophobicContact CD-CB 4.29Å; K329-F382 HydrophobicContact CD-CD1 3.88Å; K329-F382 HydrophobicContact CD-CD2 4.31Å; K329-F382 HydrophobicContact CD-CE1 4.19Å; K329-F382 HydrophobicContact CD-CG 3.94Å; K329-F382 HydrophobicContact CG-CB 4.26Å; K329-F382 HydrophobicContact CG-CD1 4.21Å; K329-F382 HydrophobicContact CG-CD2 3.72Å; K329-F382 HydrophobicContact CG-CE1 4.45Å; K329-F382 HydrophobicContact CG-CE2 3.98Å; K329-F382 HydrophobicContact CG-CG 3.84Å; K329-F382 HydrophobicContact CG-CZ 4.33Å
330	P	97.9	Very high	96.6	Very high	3 Å²	3	26.7 Å²	26.7	2%	0.019	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	cis	-83.7	-0.5	15.1	26.8	-28.8	0	0	0	118.1	L381 F382 N385 F590	P330-L381 HydrophobicContact CB-CB 3.51Å; P330-L381 HydrophobicContact CG-CB 4.06Å; P330-F382 HydrophobicContact CB-CB 4.5Å; P330-F382 WeakPolarHBondContact O-CA 3.25Å; P330-N385 PolarHBondContact O-ND2 2.93Å; P330-F590 HydrophobicContact CB-CB 4.4Å; P330-F590 HydrophobicContact CG-CB 4.18Å; P330-F590 WeakPolarHBondContact CG-O 3.38Å
331	V	97.6	Very high	96.4	Very high	5 Å²	5	33.6 Å²	33.6	3%	0.03	18%	0.176	C	C	.	.	S	Bend	trans	-69.3	143.4	-178.5	-168.4	0	0	0	0	111.3	V326 R328 G333 F382 M535 L586	V326-V331 HydrophobicContact CB-CG1 4.48Å; V326-V331 WeakPolarHBondContact O-CB 3.44Å; V326-V331 VanDerWaalsContact O-CG1 3.31Å; V326-V331 WeakPolarHBondContact O-CG1 3.31Å; R328-V331 WeakPolarHBondContact O-CB 3.49Å; R328-V331 PolarHBondContact O-N 2.96Å; V331-G333 VanDerWaalsContact C-N 3.29Å; V331-G333 PolarHBondContact O-N 3.48Å; V331-F382 WeakPolarHBondContact O-CE2 3.19Å; V331-M535 HydrophobicContact CG1-CE 4.48Å; V331-M535 HydrophobicContact CG1-SD 4.22Å; V331-M535 HydrophobicContact CG2-CE 4.02Å; V331-M535 HydrophobicContact CG2-SD 3.94Å; V331-L586 HydrophobicContact CG1-CD1 3.85Å
332	M	97.4	Very high	96.2	Very high	20 Å²	20	34 Å²	34	10%	0.099	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-2.1	-168	-66.7	-164	-75.8	0	0	116.4	M334 W335 N336 N385 I386 T585 Q589	M332-M334 VanDerWaalsContact C-N 3.28Å; M332-M334 PolarHBondContact O-N 3.46Å; M332-W335 WeakPolarHBondContact O-CA 3.27Å; M332-W335 WeakPolarHBondContact O-CB 3.4Å; M332-W335 PolarHBondContact O-N 2.86Å; M332-N336 WeakPolarHBondContact CB-OD1 3.45Å; M332-N336 PolarHBondContact O-N 3.31Å; M332-N336 PolarHBondContact O-OD1 3.07Å; M332-N385 HydrophobicContact CG-CB 3.84Å; M332-N385 VanDerWaalsContact SD-C 3.6Å; M332-N385 HydrophobicContact SD-CB 4.32Å; M332-N385 VanDerWaalsContact SD-O 3.35Å; M332-I386 HydrophobicContact CG-CG1 3.77Å; M332-I386 VanDerWaalsContact SD-CA 3.54Å; M332-I386 HydrophobicContact SD-CB 4.21Å; M332-I386 HydrophobicContact SD-CG1 3.81Å; M332-T585 HydrophobicContact CE-CG2 4.47Å; M332-Q589 VanDerWaalsContact CE-CD 3.47Å; M332-Q589 HydrophobicContact CE-CG 3.95Å; M332-Q589 VanDerWaalsContact CE-NE2 3.35Å; M332-Q589 HydrophobicContact CG-CG 4.44Å
333	G	97.1	Very high	96.2	Very high	11 Å²	11	33.6 Å²	33.6	11%	0.113	18%	0.176	C	C	.	.	H	α-helix	trans	-56.8	-32.8	-164.7	0	0	0	0	0	115.7	V326 Y327 V331 H337	V326-G333 WeakPolarHBondContact O-CA 3.34Å; V326-G333 PolarHBondContact O-N 2.84Å; Y327-G333 VanDerWaalsContact CD1-C 3.47Å; V331-G333 VanDerWaalsContact C-N 3.29Å; V331-G333 PolarHBondContact O-N 3.48Å; G333-H337 WeakPolarHBondContact O-CB 3.45Å; G333-H337 PolarHBondContact O-N 3.14Å
334	M	98.3	Very high	96.1	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-70.7	-37.6	173.8	-68	-170.8	-68.4	0	0	112.7	L222 F285 F319 A321 Y327 K329 M332 H337 L338	L222-M334 HydrophobicContact CD1-CG 3.73Å; L222-M334 HydrophobicContact CD1-SD 4.14Å; F285-M334 HydrophobicContact CB-CE 3.99Å; F285-M334 HydrophobicContact CD1-CB 3.58Å; F285-M334 HydrophobicContact CD1-CE 4.19Å; F285-M334 HydrophobicContact CD1-CG 4.49Å; F285-M334 HydrophobicContact CD1-SD 4.25Å; F285-M334 HydrophobicContact CE1-CB 3.75Å; F319-M334 HydrophobicContact CB-CB 4.11Å; F319-M334 HydrophobicContact CB-CG 4.1Å; F319-M334 HydrophobicContact CB-SD 3.65Å; A321-M334 HydrophobicContact CB-CE 4.23Å; A321-M334 HydrophobicContact CB-SD 4.01Å; Y327-M334 HydrophobicContact CD1-CG 4.26Å; Y327-M334 WeakPolarHBondContact O-CE 3.16Å; Y327-M334 WeakPolarHBondContact O-CG 3.48Å; K329-M334 HydrophobicContact CD-CE 4.11Å; K329-M334 HydrophobicContact CG-CE 3.6Å; M332-M334 VanDerWaalsContact C-N 3.28Å; M332-M334 PolarHBondContact O-N 3.46Å; M334-H337 PolarHBondContact O-N 3.35Å; M334-L338 PolarHBondContact O-N 3.3Å
335	W	98.4	Very high	96.1	Very high	7 Å²	7	39.6 Å²	39.6	3%	0.027	22%	0.224	C	C	.	.	H	α-helix	trans	-68.4	-41.9	176.9	176.4	-87.2	0	0	0	111.5	I236 F285 M332 L338 C339 V348 F382 I386 L388	I236-W335 HydrophobicContact CB-CH2 3.78Å; I236-W335 HydrophobicContact CB-CZ3 3.92Å; I236-W335 HydrophobicContact CG1-CH2 3.88Å; I236-W335 HydrophobicContact CG1-CZ3 4.26Å; I236-W335 HydrophobicContact CG2-CH2 4.12Å; I236-W335 HydrophobicContact CG2-CZ3 3.71Å; F285-W335 HydrophobicContact CE2-CE3 4.09Å; F285-W335 HydrophobicContact CE2-CZ3 4.46Å; F285-W335 AromaticContact CZ-CE3 3.92Å; F285-W335 HydrophobicContact CZ-CE3 3.92Å; M332-W335 WeakPolarHBondContact O-CA 3.27Å; M332-W335 WeakPolarHBondContact O-CB 3.4Å; M332-W335 PolarHBondContact O-N 2.86Å; W335-L338 HydrophobicContact CE3-CD2 4.3Å; W335-L338 HydrophobicContact CZ3-CD2 4.32Å; W335-L338 WeakPolarHBondContact O-CB 3.26Å; W335-L338 PolarHBondContact O-N 2.71Å; W335-C339 PolarHBondContact NE1-SG 2.93Å; W335-C339 PolarHBondContact O-N 2.84Å; W335-C339 PolarHBondContact O-SG 3.34Å; W335-V348 HydrophobicContact CH2-CG1 3.76Å; W335-V348 HydrophobicContact CZ2-CB 4.32Å; W335-V348 HydrophobicContact CZ2-CG1 3.61Å; W335-F382 HydrophobicContact CB-CE2 4.36Å; W335-F382 HydrophobicContact CB-CZ 4Å; W335-I386 HydrophobicContact CB-CD1 3.68Å; W335-I386 HydrophobicContact CB-CG1 4.08Å; W335-I386 HydrophobicContact CD2-CD1 3.82Å; W335-I386 HydrophobicContact CD2-CG1 4.31Å; W335-I386 HydrophobicContact CD2-CG2 3.78Å; W335-I386 VanDerWaalsContact CE2-CG2 3.49Å; W335-I386 HydrophobicContact CE3-CD1 4Å; W335-I386 HydrophobicContact CG-CD1 3.66Å; W335-I386 HydrophobicContact CG-CG1 3.87Å; W335-I386 HydrophobicContact CG-CG2 3.92Å; W335-I386 HydrophobicContact CZ2-CG2 4Å; W335-L388 HydrophobicContact CE3-CD1 4.01Å; W335-L388 HydrophobicContact CH2-CD1 3.88Å; W335-L388 HydrophobicContact CH2-CD2 3.81Å; W335-L388 HydrophobicContact CH2-CG 4.39Å; W335-L388 HydrophobicContact CZ2-CD1 4.47Å; W335-L388 HydrophobicContact CZ2-CD2 4.13Å; W335-L388 HydrophobicContact CZ3-CD1 3.63Å; W335-L388 HydrophobicContact CZ3-CD2 4.42Å
336	N	97.2	Very high	96.2	Very high	59 Å²	59	42 Å²	42	32%	0.316	23%	0.23	S	C	.	.	H	α-helix	trans	-58.7	-48.6	173.3	-76	34.2	0	0	0	110.7	M332 L338 C339 E340	M332-N336 WeakPolarHBondContact CB-OD1 3.45Å; M332-N336 PolarHBondContact O-N 3.31Å; M332-N336 PolarHBondContact O-OD1 3.07Å; N336-L338 VanDerWaalsContact C-N 3.33Å; N336-L338 PolarHBondContact O-N 3.36Å; N336-C339 PolarHBondContact O-N 2.94Å; N336-C339 VanDerWaalsContact O-N 3.14Å; N336-E340 WeakPolarHBondContact CB-OE1 3.23Å; N336-E340 VanDerWaalsContact O-CB 3.3Å; N336-E340 WeakPolarHBondContact O-CB 3.3Å; N336-E340 VanDerWaalsContact O-CG 3.26Å; N336-E340 WeakPolarHBondContact O-CG 3.48Å; N336-E340 PolarHBondContact O-N 3.47Å
337	H	97.4	Very high	96.3	Very high	10 Å²	10	43.5 Å²	43.5	5%	0.046	25%	0.247	C	C	.	.	H	α-helix	trans	-60.3	-38.9	176.8	-163	117.2	0	0	0	112.8	L222 F224 Y327 G333 M334 K341 A342	L222-H337 HydrophobicContact CD2-CB 4.04Å; L222-H337 WeakPolarHBondContact CD2-ND1 3.3Å; F224-H337 AromaticContact CE1-CE1 3.91Å; F224-H337 AromaticContact CE1-NE2 3.41Å; F224-H337 WeakPolarHBondContact CE1-NE2 3.48Å; F224-H337 AromaticContact CZ-NE2 3.6Å; Y327-H337 HydrophobicContact CE1-CB 4.34Å; G333-H337 WeakPolarHBondContact O-CB 3.45Å; G333-H337 PolarHBondContact O-N 3.14Å; M334-H337 PolarHBondContact O-N 3.35Å; H337-K341 PolarHBondContact O-N 3.25Å; H337-A342 PolarHBondContact O-N 2.98Å
338	L	97.5	Very high	96.3	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-55.7	-55.1	171.4	167	63.6	0	0	0	110.9	I236 V283 F285 Q317 F319 M334 W335 N336 A342 N343	I236-L338 HydrophobicContact CD1-CD2 4.11Å; I236-L338 HydrophobicContact CG1-CD2 4.08Å; I236-L338 HydrophobicContact CG2-CD2 3.98Å; V283-L338 HydrophobicContact CG1-CD2 4.37Å; V283-L338 HydrophobicContact CG2-CD1 4.43Å; V283-L338 HydrophobicContact CG2-CD2 4.1Å; F285-L338 HydrophobicContact CE2-CD2 4.49Å; F285-L338 HydrophobicContact CZ-CB 4.39Å; F285-L338 HydrophobicContact CZ-CD2 3.77Å; Q317-L338 VanDerWaalsContact OE1-CD1 3.29Å; F319-L338 HydrophobicContact CE2-CB 3.95Å; F319-L338 HydrophobicContact CE2-CD1 4.08Å; F319-L338 HydrophobicContact CE2-CG 4.47Å; F319-L338 HydrophobicContact CZ-CB 3.85Å; F319-L338 HydrophobicContact CZ-CD1 4.17Å; M334-L338 PolarHBondContact O-N 3.3Å; W335-L338 HydrophobicContact CE3-CD2 4.3Å; W335-L338 HydrophobicContact CZ3-CD2 4.32Å; W335-L338 WeakPolarHBondContact O-CB 3.26Å; W335-L338 PolarHBondContact O-N 2.71Å; N336-L338 VanDerWaalsContact C-N 3.33Å; N336-L338 PolarHBondContact O-N 3.36Å; L338-A342 CarbonylContact O-C 3.56Å; L338-A342 VanDerWaalsContact O-C 3.26Å; L338-A342 PolarHBondContact O-N 3.11Å; L338-A342 VanDerWaalsContact O-N 3.12Å; L338-N343 HydrophobicContact CD1-CB 4.2Å; L338-N343 WeakPolarHBondContact O-CB 3.31Å; L338-N343 PolarHBondContact O-N 3.34Å; L338-N343 VanDerWaalsContact O-N 3.1Å
339	C	96.6	Very high	96.4	Very high	40 Å²	40	41.7 Å²	41.7	27%	0.27	25%	0.248	S	C	.	.	H	α-helix	trans	-67.8	-44	-174.2	-60.8	0	0	0	0	112.7	W335 N336	W335-C339 PolarHBondContact NE1-SG 2.93Å; W335-C339 PolarHBondContact O-N 2.84Å; W335-C339 PolarHBondContact O-SG 3.34Å; N336-C339 PolarHBondContact O-N 2.94Å; N336-C339 VanDerWaalsContact O-N 3.14Å
340	E	94.5	Very high	96.3	Very high	126 Å²	126	45.9 Å²	45.9	59%	0.589	27%	0.266	S	S	*	.	H	α-helix	trans	-75.8	-35.5	-174.5	-68.8	165.4	-157.2	0	0	113.3	N336	N336-E340 WeakPolarHBondContact CB-OE1 3.23Å; N336-E340 VanDerWaalsContact O-CB 3.3Å; N336-E340 WeakPolarHBondContact O-CB 3.3Å; N336-E340 VanDerWaalsContact O-CG 3.26Å; N336-E340 WeakPolarHBondContact O-CG 3.48Å; N336-E340 PolarHBondContact O-N 3.47Å
341	K	94.3	Very high	96.3	Very high	144 Å²	144	51.1 Å²	51.1	63%	0.626	30%	0.298	S	S	*	.	H	α-helix	trans	-132.7	-13.9	-162.2	-57.8	-172.8	-177.4	-173.3	0	115.3	H337	H337-K341 PolarHBondContact O-N 3.25Å
342	A	94.2	Very high	96.3	Very high	8 Å²	8	55 Å²	55	7%	0.066	32%	0.316	C	S	.	.	S	Bend	trans	-138.3	24.5	-168.3	0	0	0	0	0	113.9	K281 Q317 F319 H337 L338	K281-A342 PolarHBondContact NZ-O 3.35Å; Q317-A342 VanDerWaalsContact NE2-CB 3.33Å; Q317-A342 PolarHBondContact NE2-O 2.78Å; Q317-A342 PolarHBondContact OE1-O 3.23Å; F319-A342 HydrophobicContact CE1-CB 4.45Å; F319-A342 HydrophobicContact CZ-CB 4.02Å; H337-A342 PolarHBondContact O-N 2.98Å; L338-A342 CarbonylContact O-C 3.56Å; L338-A342 VanDerWaalsContact O-C 3.26Å; L338-A342 PolarHBondContact O-N 3.11Å; L338-A342 VanDerWaalsContact O-N 3.12Å
343	N	95.9	Very high	96.4	Very high	0 Å²	0	54 Å²	54	0%	0	31%	0.311	C	S	.	.	S	Bend	trans	-132.4	30	173.6	-155	54.1	0	0	0	112.6	A232 S233 K281 L338 G345 L346	A232-N343 WeakPolarHBondContact CA-OD1 3.29Å; A232-N343 VanDerWaalsContact CB-O 3.3Å; A232-N343 WeakPolarHBondContact CB-O 3.46Å; S233-N343 PolarHBondContact N-OD1 2.91Å; S233-N343 PolarHBondContact O-ND2 3.35Å; K281-N343 VanDerWaalsContact CD-OD1 3.25Å; K281-N343 WeakPolarHBondContact CD-OD1 3.44Å; K281-N343 PolarHBondContact NZ-OD1 2.83Å; L338-N343 HydrophobicContact CD1-CB 4.2Å; L338-N343 WeakPolarHBondContact O-CB 3.31Å; L338-N343 PolarHBondContact O-N 3.34Å; L338-N343 VanDerWaalsContact O-N 3.1Å; N343-G345 PolarHBondContact O-N 3.33Å; N343-L346 PolarHBondContact ND2-O 3.17Å; N343-L346 WeakPolarHBondContact O-CB 3.3Å; N343-L346 PolarHBondContact O-N 2.78Å
344	D	93.1	Very high	96.4	Very high	114 Å²	114	54 Å²	54	61%	0.61	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	31.5	172.2	-43.9	-28.6	0	0	0	114.9	A232 L346	A232-D344 HydrophobicContact CB-CB 3.82Å; A232-D344 VanDerWaalsContact CB-OD2 3.29Å; A232-D344 WeakPolarHBondContact CB-OD2 3.45Å; A232-D344 PolarHBondContact N-OD2 3.14Å; D344-L346 PolarHBondContact O-N 2.87Å
345	G	91.8	Very high	96.5	Very high	78 Å²	78	54 Å²	54	80%	0.804	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.9	-1.9	-176.8	0	0	0	0	0	115.3	N343 A347	N343-G345 PolarHBondContact O-N 3.33Å; G345-A347 PolarHBondContact O-N 3.28Å
346	L	95.1	Very high	96.5	Very high	76 Å²	76	53.7 Å²	53.7	40%	0.398	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-77.2	121.1	-179	-175.4	57.5	0	0	0	111	A232 N343 D344	A232-L346 HydrophobicContact CB-CB 4.22Å; A232-L346 HydrophobicContact CB-CD2 4.19Å; N343-L346 PolarHBondContact ND2-O 3.17Å; N343-L346 WeakPolarHBondContact O-CB 3.3Å; N343-L346 PolarHBondContact O-N 2.78Å; D344-L346 PolarHBondContact O-N 2.87Å
347	A	96.1	Very high	96.6	Very high	83 Å²	83	50.9 Å²	50.9	69%	0.686	29%	0.292	S	S	*	.	P	Polyproline II helix	trans	-65.4	142.3	177	0	0	0	0	0	111.8	D234 G345	D234-A347 WeakPolarHBondContact CA-O 3.19Å; G345-A347 PolarHBondContact O-N 3.28Å
348	V	97.7	Very high	96.5	Very high	27 Å²	27	51.7 Å²	51.7	16%	0.164	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-100	124.5	-176.7	172.9	0	0	0	0	111.4	D234 I236 W335 K350 S353	D234-V348 CarbonylContact O-C 3.59Å; D234-V348 WeakPolarHBondContact O-CA 3.28Å; I236-V348 HydrophobicContact CB-CG1 4.43Å; I236-V348 HydrophobicContact CD1-CG2 4.09Å; I236-V348 HydrophobicContact CG1-CB 4.37Å; I236-V348 HydrophobicContact CG1-CG1 3.6Å; I236-V348 HydrophobicContact CG1-CG2 3.76Å; W335-V348 HydrophobicContact CH2-CG1 3.76Å; W335-V348 HydrophobicContact CZ2-CB 4.32Å; W335-V348 HydrophobicContact CZ2-CG1 3.61Å; V348-K350 PolarHBondContact O-N 3.33Å; V348-S353 WeakPolarHBondContact CG1-OG 3.29Å
349	D	97.7	Very high	96.5	Very high	62 Å²	62	51.8 Å²	51.8	33%	0.332	30%	0.297	S	S	.	.			trans	-76.4	104.9	169.1	-176	-15.3	0	0	0	110	D234 T351 Q352 S353	D234-D349 PolarHBondContact O-N 3.15Å; D349-T351 PolarHBondContact O-N 3.43Å; D349-T351 WeakPolarHBondContact OD1-CA 3.35Å; D349-T351 VanDerWaalsContact OD1-CB 3.29Å; D349-T351 WeakPolarHBondContact OD1-CB 3.21Å; D349-T351 PolarHBondContact OD1-N 2.81Å; D349-T351 PolarHBondContact OD1-OG1 3.25Å; D349-T351 PolarHBondContact OD2-OG1 3.1Å; D349-Q352 HydrophobicContact CB-CB 4.36Å; D349-Q352 HydrophobicContact CB-CG 4.36Å; D349-Q352 PolarHBondContact O-N 3.18Å; D349-Q352 PolarHBondContact OD1-N 3.27Å; D349-Q352 WeakPolarHBondContact OD2-CG 3.28Å; D349-S353 WeakPolarHBondContact O-CB 3.31Å; D349-S353 PolarHBondContact O-N 3.23Å; D349-S353 PolarHBondContact O-OG 2.9Å
350	K	97.4	Very high	96.5	Very high	91 Å²	91	49.9 Å²	49.9	40%	0.396	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-21.1	177.4	-66.6	-178.8	174.3	-172.8	0	114	V348 I386 L388	V348-K350 PolarHBondContact O-N 3.33Å; K350-I386 HydrophobicContact CD-CG2 4.38Å; K350-I386 WeakPolarHBondContact CD-O 3.29Å; K350-I386 WeakPolarHBondContact CE-O 3.3Å; K350-I386 PolarHBondContact NZ-O 3.22Å; K350-L388 HydrophobicContact CB-CD2 4.2Å; K350-L388 HydrophobicContact CG-CD2 4.34Å
351	T	97.3	Very high	96.6	Very high	112 Å²	112	44.6 Å²	44.6	69%	0.687	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-33.5	-179	77.2	0	0	0	0	112	D349	D349-T351 PolarHBondContact O-N 3.43Å; D349-T351 WeakPolarHBondContact OD1-CA 3.35Å; D349-T351 VanDerWaalsContact OD1-CB 3.29Å; D349-T351 WeakPolarHBondContact OD1-CB 3.21Å; D349-T351 PolarHBondContact OD1-N 2.81Å; D349-T351 PolarHBondContact OD1-OG1 3.25Å; D349-T351 PolarHBondContact OD2-OG1 3.1Å
352	Q	97.4	Very high	96.7	Very high	86 Å²	86	37.9 Å²	37.9	40%	0.402	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-28	173.1	-60.7	-65.1	-64.7	0	0	111.8	K235 Y280 D349	K235-Q352 HydrophobicContact CD-CB 4.09Å; K235-Q352 HydrophobicContact CG-CB 3.77Å; Y280-Q352 WeakPolarHBondContact CE1-O 3.43Å; Y280-Q352 PolarHBondContact OH-O 3.37Å; D349-Q352 HydrophobicContact CB-CB 4.36Å; D349-Q352 HydrophobicContact CB-CG 4.36Å; D349-Q352 PolarHBondContact O-N 3.18Å; D349-Q352 PolarHBondContact OD1-N 3.27Å; D349-Q352 WeakPolarHBondContact OD2-CG 3.28Å
353	S	98.6	Very high	96.7	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.007	25%	0.247	C	C	.	.			trans	-77.2	155.7	178.7	-60.1	0	0	0	0	113.2	I236 V348 D349	I236-S353 PolarHBondContact N-OG 3.23Å; I236-S353 VanDerWaalsContact O-CA 3.26Å; I236-S353 WeakPolarHBondContact O-CA 3.48Å; I236-S353 VanDerWaalsContact O-CB 3.27Å; I236-S353 WeakPolarHBondContact O-CB 3.43Å; V348-S353 WeakPolarHBondContact CG1-OG 3.29Å; D349-S353 WeakPolarHBondContact O-CB 3.31Å; D349-S353 PolarHBondContact O-N 3.23Å; D349-S353 PolarHBondContact O-OG 2.9Å
354	F	98.8	Very high	96.6	Very high	11 Å²	11	46 Å²	46	5%	0.048	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	163.9	178.8	64.5	-89.6	0	0	0	112.8	I236 A237 G238 F239 L275 Y280 V356 K389 Y391 Y396	I236-F354 PolarHBondContact O-N 2.99Å; A237-F354 HydrophobicContact CB-CE1 3.83Å; A237-F354 HydrophobicContact CB-CE2 4.08Å; A237-F354 HydrophobicContact CB-CZ 3.5Å; A237-F354 VanDerWaalsContact CB-CZ 3.5Å; G238-F354 PolarHBondContact N-O 3.3Å; F239-F354 HydrophobicContact CE1-CE2 4.49Å; F239-F354 HydrophobicContact CZ-CE2 4.04Å; F239-F354 HydrophobicContact CZ-CZ 4.42Å; L275-F354 HydrophobicContact CD1-CZ 3.94Å; L275-F354 HydrophobicContact CD2-CE1 3.91Å; L275-F354 HydrophobicContact CD2-CZ 3.74Å; Y280-F354 HydrophobicContact CD1-CE1 4Å; Y280-F354 AromaticContact CE1-CD1 3.96Å; Y280-F354 HydrophobicContact CE1-CD1 3.96Å; Y280-F354 AromaticContact CE1-CE1 3.6Å; Y280-F354 HydrophobicContact CE1-CE1 3.6Å; F354-V356 HydrophobicContact CD2-CG2 3.76Å; F354-V356 HydrophobicContact CE2-CG2 3.72Å; F354-K389 CarbonylContact C-O 3.49Å; F354-K389 VanDerWaalsContact CA-O 3.23Å; F354-K389 WeakPolarHBondContact CA-O 3.41Å; F354-K389 HydrophobicContact CB-CB 4.21Å; F354-K389 WeakPolarHBondContact CB-O 3.41Å; F354-Y391 HydrophobicContact CB-CD2 4.34Å; F354-Y391 HydrophobicContact CB-CE2 3.93Å; F354-Y391 AromaticContact CD2-CD2 3.94Å; F354-Y391 HydrophobicContact CD2-CD2 3.94Å; F354-Y391 AromaticContact CD2-CE2 3.95Å; F354-Y391 HydrophobicContact CD2-CE2 3.95Å; F354-Y391 HydrophobicContact CG-CD2 4.37Å; F354-Y391 AromaticContact CG-CE2 3.97Å; F354-Y391 HydrophobicContact CG-CE2 3.97Å; F354-Y396 HydrophobicContact CD2-CE2 4.26Å; F354-Y396 HydrophobicContact CE2-CD2 4.08Å; F354-Y396 HydrophobicContact CE2-CE1 4.29Å; F354-Y396 AromaticContact CE2-CE2 3.53Å; F354-Y396 HydrophobicContact CE2-CE2 3.53Å; F354-Y396 AromaticContact CE2-CZ 3.69Å; F354-Y396 HydrophobicContact CZ-CE1 4.47Å; F354-Y396 AromaticContact CZ-CE2 3.69Å; F354-Y396 HydrophobicContact CZ-CE2 3.69Å; F354-Y396 AromaticContact CZ-CZ 3.61Å; F354-Y396 WeakPolarHBondContact CZ-OH 3.47Å
355	Y	98.9	Very high	96.5	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	143.6	174.3	-165.6	-119.2	0	0	0	112	G238 F239 D240 F285 K329 D379 F382 A383 K389 F390 Y391	G238-Y355 CarbonylContact O-C 3.57Å; G238-Y355 WeakPolarHBondContact O-CA 3.32Å; G238-Y355 WeakPolarHBondContact O-CD2 3.43Å; F239-Y355 VanDerWaalsContact C-CE2 3.47Å; F239-Y355 PolarHBondContact O-OH 2.98Å; D240-Y355 PolarHBondContact N-OH 2.74Å; F285-Y355 HydrophobicContact CB-CE2 4.11Å; F285-Y355 HydrophobicContact CD2-CD2 4.36Å; F285-Y355 AromaticContact CD2-CE2 3.83Å; F285-Y355 HydrophobicContact CD2-CE2 3.83Å; F285-Y355 HydrophobicContact CG-CE2 4.41Å; F285-Y355 PolarHBondContact O-OH 2.75Å; F285-Y355 VanDerWaalsContact O-OH 3.12Å; K329-Y355 HydrophobicContact CD-CE1 4.5Å; K329-Y355 PolarHBondContact NZ-OH 3.4Å; Y355-D379 HydrophobicContact CD1-CB 4.38Å; Y355-D379 HydrophobicContact CE1-CB 3.79Å; Y355-F382 AromaticContact CD1-CD1 3.92Å; Y355-F382 HydrophobicContact CD1-CD1 3.92Å; Y355-F382 HydrophobicContact CD2-CD1 4.31Å; Y355-F382 HydrophobicContact CD2-CE1 4.34Å; Y355-F382 AromaticContact CE1-CD1 3.73Å; Y355-F382 HydrophobicContact CE1-CD1 3.73Å; Y355-F382 HydrophobicContact CE1-CE1 4.46Å; Y355-F382 HydrophobicContact CE2-CD1 4.2Å; Y355-F382 HydrophobicContact CE2-CE1 4.14Å; Y355-F382 HydrophobicContact CG-CD1 4.23Å; Y355-F382 AromaticContact CZ-CD1 3.92Å; Y355-A383 HydrophobicContact CD1-CB 4.3Å; Y355-K389 PolarHBondContact N-O 3.08Å; Y355-F390 HydrophobicContact CD1-CD2 4.14Å; Y355-F390 HydrophobicContact CD1-CE2 4.09Å; Y355-F390 WeakPolarHBondContact O-CA 3.31Å; Y355-Y391 PolarHBondContact O-N 3.49Å
356	V	98.9	Very high	96.4	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	130.4	176.7	-168.8	0	0	0	0	110.3	G238 F239 D240 C244 F354 Y391 P393 Y396 F397	G238-V356 PolarHBondContact O-N 2.77Å; F239-V356 CarbonylContact C-O 3.53Å; F239-V356 VanDerWaalsContact CA-O 3.26Å; F239-V356 WeakPolarHBondContact CA-O 3.34Å; F239-V356 HydrophobicContact CD1-CB 3.63Å; F239-V356 HydrophobicContact CD1-CG1 4.31Å; F239-V356 HydrophobicContact CD1-CG2 3.87Å; F239-V356 HydrophobicContact CE1-CB 3.9Å; F239-V356 HydrophobicContact CE1-CG2 3.6Å; F239-V356 HydrophobicContact CG-CB 4.5Å; F239-V356 HydrophobicContact CZ-CG2 4.36Å; D240-V356 PolarHBondContact N-O 2.55Å; C244-V356 PolarHBondContact SG-O 2.93Å; F354-V356 HydrophobicContact CD2-CG2 3.76Å; F354-V356 HydrophobicContact CE2-CG2 3.72Å; V356-Y391 VanDerWaalsContact CA-O 3.29Å; V356-Y391 WeakPolarHBondContact CA-O 3.39Å; V356-Y391 HydrophobicContact CG2-CD2 4.37Å; V356-P393 HydrophobicContact CG1-CG 4.46Å; V356-Y396 HydrophobicContact CG1-CG 4.44Å; V356-Y396 HydrophobicContact CG2-CD1 4.13Å; V356-Y396 HydrophobicContact CG2-CD2 4.15Å; V356-Y396 HydrophobicContact CG2-CG 3.82Å; V356-F397 HydrophobicContact CG1-CE2 4.4Å
357	G	98.4	Very high	95.9	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.226	C	C	.	.			trans	-166.3	157.1	179.2	0	0	0	0	0	113.1	D379 F390 Y391 P393	G357-D379 VanDerWaalsContact CA-OD2 3.26Å; G357-D379 WeakPolarHBondContact CA-OD2 3.26Å; G357-F390 WeakPolarHBondContact O-CZ 3.38Å; G357-Y391 PolarHBondContact N-O 3.09Å; G357-P393 WeakPolarHBondContact O-CD 3.46Å
358	D	97.2	Very high	95.3	Very high	27 Å²	27	42.4 Å²	42.4	14%	0.144	23%	0.233	C	C	.	.	S	Bend	trans	-92.4	-18.5	-175.4	79.7	-60.4	0	0	0	113.5	G243 A360 R362 D379 P393	G243-D358 WeakPolarHBondContact O-CB 3.43Å; D358-A360 PolarHBondContact O-N 3.11Å; D358-R362 PolarHBondContact O-NH2 3.19Å; D358-D379 PolarHBondContact N-OD2 3.49Å; D358-P393 HydrophobicContact CB-CG 4.15Å
359	A	97.1	Very high	94.6	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.008	26%	0.262	C	S	.	.			trans	-74.2	68.2	172	0	0	0	0	0	110.3	F375 S376 C377 S378 D379 R380	A359-F375 HydrophobicContact CB-CE1 4.15Å; A359-F375 HydrophobicContact CB-CZ 3.9Å; A359-S376 CarbonylContact C-O 3.5Å; A359-S376 VanDerWaalsContact CA-O 3.24Å; A359-S376 WeakPolarHBondContact CA-O 3.45Å; A359-C377 CarbonylContact O-C 3.56Å; A359-C377 WeakPolarHBondContact O-CA 3.21Å; A359-S378 PolarHBondContact O-N 3.13Å; A359-D379 HydrophobicContact CB-CB 4.07Å; A359-D379 WeakPolarHBondContact CB-OD2 3.42Å; A359-D379 PolarHBondContact N-OD2 2.82Å; A359-D379 VanDerWaalsContact N-OD2 3.1Å; A359-D379 WeakPolarHBondContact O-CB 3.22Å; A359-D379 PolarHBondContact O-N 2.91Å; A359-R380 PolarHBondContact O-N 3.06Å
360	A	97.1	Very high	94	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	26%	0.263	C	S	.	.	S	Bend	trans	-112.2	6.8	-163.7	0	0	0	0	0	114.1	D358 R362 D374 S376 R380 F390 T392 Y405	D358-A360 PolarHBondContact O-N 3.11Å; A360-R362 VanDerWaalsContact C-N 3.29Å; A360-R362 HydrophobicContact CB-CG 4.27Å; A360-R362 PolarHBondContact O-N 2.92Å; A360-D374 PolarHBondContact N-OD2 2.97Å; A360-S376 PolarHBondContact N-O 2.85Å; A360-R380 PolarHBondContact O-NE 3.1Å; A360-R380 PolarHBondContact O-NH2 2.72Å; A360-F390 HydrophobicContact CB-CE1 3.81Å; A360-F390 HydrophobicContact CB-CZ 3.86Å; A360-T392 HydrophobicContact CB-CG2 3.55Å; A360-Y405 WeakPolarHBondContact O-CB 3.28Å
361	G	95.9	Very high	93.6	Very high	15 Å²	15	49.1 Å²	49.1	16%	0.155	28%	0.278	C	S	.	.			trans	67.6	21.4	176.2	0	0	0	0	0	115	D374 S376 Y405 S406	G361-D374 PolarHBondContact N-OD2 2.96Å; G361-S376 PolarHBondContact N-O 2.65Å; G361-Y405 WeakPolarHBondContact O-CA 3.35Å; G361-S406 PolarHBondContact O-N 2.93Å
362	R	96.1	Very high	93.2	Very high	3 Å²	3	51.3 Å²	51.3	1%	0.011	28%	0.278	C	S	.	.			trans	-68.7	141.1	-179.8	-61.3	169.4	-76.7	-163.2	-4	111.2	D358 A360 W366 K373 D374 E394 A403 P404	D358-R362 PolarHBondContact O-NH2 3.19Å; A360-R362 VanDerWaalsContact C-N 3.29Å; A360-R362 HydrophobicContact CB-CG 4.27Å; A360-R362 PolarHBondContact O-N 2.92Å; R362-W366 HydrophobicContact CB-CB 4.08Å; R362-W366 VanDerWaalsContact CB-CD1 3.4Å; R362-W366 HydrophobicContact CB-CD2 4.25Å; R362-W366 HydrophobicContact CB-CG 3.68Å; R362-W366 HydrophobicContact CG-CD2 4.49Å; R362-W366 HydrophobicContact CG-CG 4.37Å; R362-K373 VanDerWaalsContact O-CA 3.3Å; R362-K373 WeakPolarHBondContact O-CA 3.33Å; R362-K373 VanDerWaalsContact O-CB 3.31Å; R362-K373 WeakPolarHBondContact O-CB 3.26Å; R362-D374 VanDerWaalsContact CB-OD2 3.23Å; R362-D374 WeakPolarHBondContact CB-OD2 3.24Å; R362-D374 VanDerWaalsContact CG-OD2 3.28Å; R362-D374 WeakPolarHBondContact CG-OD2 3.37Å; R362-D374 IonicContact CZ-OD1 2.88Å; R362-D374 IonicContact CZ-OD2 3.2Å; R362-D374 PolarHBondContact N-OD2 3.42Å; R362-D374 IonicContact NE-OD1 3.45Å; R362-D374 PolarHBondContact NE-OD1 2.85Å; R362-D374 VanDerWaalsContact NE-OD1 3.15Å; R362-D374 IonicContact NE-OD2 2.68Å; R362-D374 PolarHBondContact NE-OD2 2.68Å; R362-D374 IonicContact NH2-OD1 2.66Å; R362-D374 PolarHBondContact NH2-OD1 3.29Å; R362-D374 IonicContact NH2-OD2 3.85Å; R362-D374 PolarHBondContact O-N 2.94Å; R362-E394 IonicContact CZ-OE2 3.47Å; R362-E394 IonicContact NH1-OE1 2.71Å; R362-E394 IonicContact NH1-OE2 3.76Å; R362-E394 PolarHBondContact NH1-OE2 2.83Å; R362-E394 IonicContact NH2-OE2 3.97Å; R362-A403 HydrophobicContact CG-CB 3.98Å; R362-P404 WeakPolarHBondContact CA-O 3.39Å
363	P	94.9	Very high	93	Very high	51 Å²	51	54.4 Å²	54.4	33%	0.331	29%	0.29	S	S	.	.			trans	-72.4	174.8	179.3	33.8	-36.9	0	0	0	111.4	W366 P404	P363-W366 HydrophobicContact CG-CB 4.46Å; P363-W366 WeakPolarHBondContact O-CB 3.39Å; P363-P404 WeakPolarHBondContact CD-O 3.29Å; P363-P404 HydrophobicContact CG-CB 4.42Å; P363-P404 HydrophobicContact CG-CG 3.97Å
364	E	93.4	Very high	92.6	Very high	129 Å²	129	55.5 Å²	55.5	60%	0.603	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	149.3	173.6	58.2	-178	-140.9	0	0	112.5	W366	E364-W366 PolarHBondContact O-N 3.23Å
365	N	91.5	Very high	92.1	Very high	101 Å²	101	62.5 Å²	62.5	54%	0.54	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.5	22.6	-179.6	-49.3	-67.4	0	0	0	114.5	A367 K370	N365-A367 PolarHBondContact O-N 2.97Å; N365-A367 VanDerWaalsContact O-N 3.07Å; N365-K370 VanDerWaalsContact CA-O 3.3Å; N365-K370 WeakPolarHBondContact CA-O 3.22Å; N365-K370 PolarHBondContact N-O 3.12Å
366	W	88.1	Confident	91.8	Very high	33 Å²	33	63.1 Å²	63.1	13%	0.125	33%	0.331	C	S	.	.	S	Bend	trans	-59.4	-20.6	179.8	69.6	-107.1	0	0	0	114.3	R362 P363 E364 K370 D374 E394 W400 A403	R362-W366 HydrophobicContact CB-CB 4.08Å; R362-W366 VanDerWaalsContact CB-CD1 3.4Å; R362-W366 HydrophobicContact CB-CD2 4.25Å; R362-W366 HydrophobicContact CB-CG 3.68Å; R362-W366 HydrophobicContact CG-CD2 4.49Å; R362-W366 HydrophobicContact CG-CG 4.37Å; P363-W366 HydrophobicContact CG-CB 4.46Å; P363-W366 WeakPolarHBondContact O-CB 3.39Å; E364-W366 PolarHBondContact O-N 3.23Å; W366-K370 HydrophobicContact CD2-CB 4.32Å; W366-K370 HydrophobicContact CD2-CG 4.32Å; W366-K370 HydrophobicContact CG-CB 4.48Å; W366-K370 HydrophobicContact CH2-CD 4.16Å; W366-K370 HydrophobicContact CH2-CG 4.07Å; W366-K370 HydrophobicContact CZ2-CB 4.32Å; W366-K370 HydrophobicContact CZ2-CD 3.5Å; W366-K370 VanDerWaalsContact CZ2-CD 3.5Å; W366-K370 HydrophobicContact CZ2-CG 3.62Å; W366-D374 PolarHBondContact NE1-OD1 3.35Å; W366-E394 HydrophobicContact CH2-CB 4.47Å; W366-E394 VanDerWaalsContact CH2-CD 3.47Å; W366-E394 HydrophobicContact CH2-CG 3.87Å; W366-E394 WeakPolarHBondContact CH2-OE1 3.28Å; W366-E394 HydrophobicContact CZ3-CG 4.47Å; W366-W400 HydrophobicContact CH2-CZ3 4.42Å; W366-W400 HydrophobicContact CZ3-CE3 4.25Å; W366-W400 HydrophobicContact CZ3-CZ3 4.08Å; W366-A403 HydrophobicContact CD2-CB 4.42Å; W366-A403 HydrophobicContact CE3-CB 3.82Å; W366-A403 HydrophobicContact CZ3-CB 4.46Å
367	A	86	Confident	91.6	Very high	14 Å²	14	63.3 Å²	63.3	12%	0.116	33%	0.332	C	S	.	.	S	Bend	trans	-151.4	163.5	168.3	0	0	0	0	0	111.3	N365 G369 K370 W400	N365-A367 PolarHBondContact O-N 2.97Å; N365-A367 VanDerWaalsContact O-N 3.07Å; A367-G369 PolarHBondContact O-N 2.87Å; A367-K370 HydrophobicContact CB-CG 4.11Å; A367-K370 WeakPolarHBondContact O-CB 3.29Å; A367-K370 PolarHBondContact O-N 3.08Å; A367-W400 HydrophobicContact CB-CZ3 3.76Å
368	P	83.6	Confident	91.6	Very high	127 Å²	127	63.7 Å²	63.7	83%	0.825	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.2	131.8	175.6	-29	36.8	0	0	0	112.8	K370	P368-K370 PolarHBondContact O-N 3.48Å
369	G	82.1	Confident	91.7	Very high	75 Å²	75	62.5 Å²	62.5	77%	0.773	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	79	-21.5	-176.5	0	0	0	0	0	115.7	A367 K371	A367-G369 PolarHBondContact O-N 2.87Å; G369-K371 PolarHBondContact O-N 3.3Å
370	K	85.8	Confident	91.7	Very high	79 Å²	79	63.5 Å²	63.5	34%	0.343	33%	0.332	S	S	.	.			trans	-80.6	62.6	179.9	-57.7	-82	-167.6	157.7	0	111.4	N365 W366 A367 P368 K372 E394	N365-K370 VanDerWaalsContact CA-O 3.3Å; N365-K370 WeakPolarHBondContact CA-O 3.22Å; N365-K370 PolarHBondContact N-O 3.12Å; W366-K370 HydrophobicContact CD2-CB 4.32Å; W366-K370 HydrophobicContact CD2-CG 4.32Å; W366-K370 HydrophobicContact CG-CB 4.48Å; W366-K370 HydrophobicContact CH2-CD 4.16Å; W366-K370 HydrophobicContact CH2-CG 4.07Å; W366-K370 HydrophobicContact CZ2-CB 4.32Å; W366-K370 HydrophobicContact CZ2-CD 3.5Å; W366-K370 VanDerWaalsContact CZ2-CD 3.5Å; W366-K370 HydrophobicContact CZ2-CG 3.62Å; A367-K370 HydrophobicContact CB-CG 4.11Å; A367-K370 WeakPolarHBondContact O-CB 3.29Å; A367-K370 PolarHBondContact O-N 3.08Å; P368-K370 PolarHBondContact O-N 3.48Å; K370-K372 PolarHBondContact O-N 3.03Å; K370-E394 WeakPolarHBondContact CE-OE1 3.33Å; K370-E394 IonicContact NZ-OE1 3.6Å; K370-E394 PolarHBondContact NZ-OE1 3.09Å
371	K	87.8	Confident	91.8	Very high	167 Å²	167	63.5 Å²	63.5	73%	0.726	33%	0.332	S	S	*	.			trans	-66.9	8.3	-177.1	-64	-168.8	178	-172.5	0	116	G369	G369-K371 PolarHBondContact O-N 3.3Å
372	K	90	Very high	91.9	Very high	158 Å²	158	62.8 Å²	62.8	69%	0.687	33%	0.325	S	S	*	.	S	Bend	trans	-133.9	144.4	-179.9	-65.7	-177.6	-179.6	179.3	0	108.4	K370	K370-K372 PolarHBondContact O-N 3.03Å
373	K	92.2	Very high	92	Very high	151 Å²	151	62.6 Å²	62.6	66%	0.657	32%	0.324	S	S	*	.			trans	-61.5	158.8	164.4	68.1	174.8	-171.5	173.1	0	110.8	R362	R362-K373 VanDerWaalsContact O-CA 3.3Å; R362-K373 WeakPolarHBondContact O-CA 3.33Å; R362-K373 VanDerWaalsContact O-CB 3.31Å; R362-K373 WeakPolarHBondContact O-CB 3.26Å
374	D	91.6	Very high	92.2	Very high	23 Å²	23	63 Å²	63	12%	0.123	32%	0.323	C	S	.	.			trans	-58.7	147.8	172.2	-66.1	-16.9	0	0	0	110.3	A360 G361 R362 W366 S376	A360-D374 PolarHBondContact N-OD2 2.97Å; G361-D374 PolarHBondContact N-OD2 2.96Å; R362-D374 VanDerWaalsContact CB-OD2 3.23Å; R362-D374 WeakPolarHBondContact CB-OD2 3.24Å; R362-D374 VanDerWaalsContact CG-OD2 3.28Å; R362-D374 WeakPolarHBondContact CG-OD2 3.37Å; R362-D374 IonicContact CZ-OD1 2.88Å; R362-D374 IonicContact CZ-OD2 3.2Å; R362-D374 PolarHBondContact N-OD2 3.42Å; R362-D374 IonicContact NE-OD1 3.45Å; R362-D374 PolarHBondContact NE-OD1 2.85Å; R362-D374 VanDerWaalsContact NE-OD1 3.15Å; R362-D374 IonicContact NE-OD2 2.68Å; R362-D374 PolarHBondContact NE-OD2 2.68Å; R362-D374 IonicContact NH2-OD1 2.66Å; R362-D374 PolarHBondContact NH2-OD1 3.29Å; R362-D374 IonicContact NH2-OD2 3.85Å; R362-D374 PolarHBondContact O-N 2.94Å; W366-D374 PolarHBondContact NE1-OD1 3.35Å; D374-S376 PolarHBondContact O-N 2.65Å
375	F	87.3	Confident	92.4	Very high	159 Å²	159	57.8 Å²	57.8	70%	0.697	30%	0.3	S	S	*	.	S	Bend	trans	-73	-15.4	-178.5	73.5	-86	0	0	0	113.3	A359	A359-F375 HydrophobicContact CB-CE1 4.15Å; A359-F375 HydrophobicContact CB-CZ 3.9Å
376	S	92.4	Very high	92.7	Very high	12 Å²	12	53.2 Å²	53.2	8%	0.084	28%	0.275	C	S	.	.			trans	-164.2	158.1	-170.7	174.2	0	0	0	0	110	A359 A360 G361 D374 S378 G593	A359-S376 CarbonylContact C-O 3.5Å; A359-S376 VanDerWaalsContact CA-O 3.24Å; A359-S376 WeakPolarHBondContact CA-O 3.45Å; A360-S376 PolarHBondContact N-O 2.85Å; G361-S376 PolarHBondContact N-O 2.65Å; D374-S376 PolarHBondContact O-N 2.65Å; S376-S378 VanDerWaalsContact OG-CB 3.22Å; S376-S378 WeakPolarHBondContact OG-CB 3.45Å; S376-S378 PolarHBondContact OG-N 3.26Å; S376-S378 PolarHBondContact OG-OG 3.48Å; S376-G593 VanDerWaalsContact CA-OXT 3.28Å; S376-G593 WeakPolarHBondContact CA-OXT 3.45Å; S376-G593 WeakPolarHBondContact CB-O 3.38Å; S376-G593 PolarHBondContact OG-O 3.01Å; S376-G593 PolarHBondContact OG-OXT 3.06Å
377	C	96	Very high	93.2	Very high	5 Å²	5	54 Å²	54	3%	0.034	29%	0.294	C	S	.	.			trans	-108.1	10.3	168.2	-163.4	0	0	0	0	112.2	A359 D379 R380 L381 G593	A359-C377 CarbonylContact O-C 3.56Å; A359-C377 WeakPolarHBondContact O-CA 3.21Å; C377-D379 VanDerWaalsContact C-N 3.29Å; C377-D379 PolarHBondContact O-N 3.01Å; C377-R380 PolarHBondContact O-N 2.92Å; C377-L381 HydrophobicContact CB-CD1 4.1Å; C377-L381 HydrophobicContact CB-CG 4.26Å; C377-L381 WeakPolarHBondContact O-CB 3.31Å; C377-L381 VanDerWaalsContact O-CG 3.28Å; C377-L381 WeakPolarHBondContact O-CG 3.42Å; C377-L381 PolarHBondContact O-N 2.92Å; C377-G593 PolarHBondContact N-OXT 2.91Å
378	S	97.2	Very high	93.8	Very high	7 Å²	7	54.1 Å²	54.1	5%	0.049	29%	0.292	C	S	.	.	H	α-helix	trans	-64	-21.3	-168.8	57.2	0	0	0	0	115.8	A359 S376 F382	A359-S378 PolarHBondContact O-N 3.13Å; S376-S378 VanDerWaalsContact OG-CB 3.22Å; S376-S378 WeakPolarHBondContact OG-CB 3.45Å; S376-S378 PolarHBondContact OG-N 3.26Å; S376-S378 PolarHBondContact OG-OG 3.48Å; S378-F382 VanDerWaalsContact O-CB 3.28Å; S378-F382 WeakPolarHBondContact O-CB 3.33Å; S378-F382 PolarHBondContact O-N 3.12Å
379	D	98.6	Very high	94.5	Very high	3 Å²	3	54 Å²	54	2%	0.016	28%	0.278	C	S	.	.	H	α-helix	trans	-80.3	-45.4	175.1	-70.3	-24	0	0	0	111.7	K329 Y355 G357 D358 A359 C377 L381 F382 A383 F390	K329-D379 WeakPolarHBondContact CE-OD1 3.48Å; K329-D379 IonicContact NZ-OD1 3.6Å; K329-D379 PolarHBondContact NZ-OD1 3.41Å; Y355-D379 HydrophobicContact CD1-CB 4.38Å; Y355-D379 HydrophobicContact CE1-CB 3.79Å; G357-D379 VanDerWaalsContact CA-OD2 3.26Å; G357-D379 WeakPolarHBondContact CA-OD2 3.26Å; D358-D379 PolarHBondContact N-OD2 3.49Å; A359-D379 HydrophobicContact CB-CB 4.07Å; A359-D379 WeakPolarHBondContact CB-OD2 3.42Å; A359-D379 PolarHBondContact N-OD2 2.82Å; A359-D379 VanDerWaalsContact N-OD2 3.1Å; A359-D379 WeakPolarHBondContact O-CB 3.22Å; A359-D379 PolarHBondContact O-N 2.91Å; C377-D379 VanDerWaalsContact C-N 3.29Å; C377-D379 PolarHBondContact O-N 3.01Å; D379-L381 VanDerWaalsContact C-N 3.27Å; D379-L381 PolarHBondContact O-N 3.43Å; D379-F382 WeakPolarHBondContact O-CB 3.35Å; D379-F382 PolarHBondContact O-N 3.38Å; D379-A383 PolarHBondContact O-N 3.05Å; D379-A383 VanDerWaalsContact O-N 3.08Å; D379-F390 HydrophobicContact CB-CE2 3.87Å; D379-F390 HydrophobicContact CB-CZ 4.2Å
380	R	98.5	Very high	95.3	Very high	21 Å²	21	51.9 Å²	51.9	8%	0.079	25%	0.248	C	C	.	.	H	α-helix	trans	-61.8	-40.5	173.9	-174	-176.5	-60.3	-84.3	2.8	110.6	A359 A360 C377 A383 L384 F390 Y405	A359-R380 PolarHBondContact O-N 3.06Å; A360-R380 PolarHBondContact O-NE 3.1Å; A360-R380 PolarHBondContact O-NH2 2.72Å; C377-R380 PolarHBondContact O-N 2.92Å; R380-A383 PolarHBondContact O-N 3.13Å; R380-L384 VanDerWaalsContact O-CB 3.22Å; R380-L384 WeakPolarHBondContact O-CB 3.42Å; R380-L384 PolarHBondContact O-N 3.2Å; R380-F390 HydrophobicContact CB-CD1 4.06Å; R380-F390 HydrophobicContact CB-CD2 4.5Å; R380-F390 HydrophobicContact CB-CE1 3.83Å; R380-F390 HydrophobicContact CB-CE2 4.3Å; R380-F390 HydrophobicContact CB-CG 4.37Å; R380-F390 HydrophobicContact CB-CZ 3.94Å; R380-F390 HydrophobicContact CG-CD1 3.91Å; R380-F390 HydrophobicContact CG-CE1 4.12Å; R380-F390 HydrophobicContact CG-CG 4.27Å; R380-Y405 VanDerWaalsContact CD-CD2 3.43Å; R380-Y405 VanDerWaalsContact NE-CG 3.35Å; R380-Y405 VanDerWaalsContact NH1-CE1 3.28Å; R380-Y405 VanDerWaalsContact NH2-CD1 3.35Å
381	L	98.4	Very high	95.9	Very high	0 Å²	0	51 Å²	51	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-72.3	-30.7	178.2	-65.7	178.6	0	0	0	112.9	P330 C377 D379 L384 N385 L407 P408 F590 E592	P330-L381 HydrophobicContact CB-CB 3.51Å; P330-L381 HydrophobicContact CG-CB 4.06Å; C377-L381 HydrophobicContact CB-CD1 4.1Å; C377-L381 HydrophobicContact CB-CG 4.26Å; C377-L381 WeakPolarHBondContact O-CB 3.31Å; C377-L381 VanDerWaalsContact O-CG 3.28Å; C377-L381 WeakPolarHBondContact O-CG 3.42Å; C377-L381 PolarHBondContact O-N 2.92Å; D379-L381 VanDerWaalsContact C-N 3.27Å; D379-L381 PolarHBondContact O-N 3.43Å; L381-L384 HydrophobicContact CD2-CD2 3.9Å; L381-L384 PolarHBondContact O-N 3.35Å; L381-N385 WeakPolarHBondContact O-CB 3.31Å; L381-N385 VanDerWaalsContact O-CG 3.25Å; L381-N385 PolarHBondContact O-N 2.66Å; L381-N385 PolarHBondContact O-ND2 3.24Å; L381-L407 HydrophobicContact CD2-CD2 3.95Å; L381-P408 HydrophobicContact CD1-CG 3.7Å; L381-F590 HydrophobicContact CB-CB 4.07Å; L381-F590 HydrophobicContact CB-CG 4.36Å; L381-F590 HydrophobicContact CD1-CB 4.13Å; L381-F590 HydrophobicContact CD1-CD1 4.01Å; L381-F590 HydrophobicContact CD1-CG 4.13Å; L381-F590 HydrophobicContact CD2-CB 4.4Å; L381-F590 HydrophobicContact CD2-CD1 3.91Å; L381-F590 HydrophobicContact CD2-CD2 3.78Å; L381-F590 HydrophobicContact CD2-CE1 4.05Å; L381-F590 HydrophobicContact CD2-CE2 3.93Å; L381-F590 HydrophobicContact CD2-CG 3.77Å; L381-F590 HydrophobicContact CD2-CZ 4.06Å; L381-F590 HydrophobicContact CG-CB 4.42Å; L381-F590 HydrophobicContact CG-CG 4.29Å; L381-E592 WeakPolarHBondContact CD1-O 3.4Å
382	F	98.7	Very high	96.4	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-62.1	-50.7	170	-177.7	-118.2	0	0	0	110.9	F285 K329 P330 V331 W335 Y355 S378 D379 L384 N385 I386	F285-F382 HydrophobicContact CB-CE1 4.19Å; F285-F382 HydrophobicContact CB-CZ 4.48Å; F285-F382 HydrophobicContact CD1-CE1 4.41Å; F285-F382 HydrophobicContact CD1-CZ 4.1Å; F285-F382 HydrophobicContact CD2-CE1 4.1Å; F285-F382 HydrophobicContact CE1-CZ 4.41Å; F285-F382 HydrophobicContact CG-CE1 4Å; F285-F382 HydrophobicContact CG-CZ 4.16Å; K329-F382 HydrophobicContact CB-CB 4.19Å; K329-F382 HydrophobicContact CB-CD2 4.17Å; K329-F382 HydrophobicContact CB-CG 4.26Å; K329-F382 HydrophobicContact CD-CB 4.29Å; K329-F382 HydrophobicContact CD-CD1 3.88Å; K329-F382 HydrophobicContact CD-CD2 4.31Å; K329-F382 HydrophobicContact CD-CE1 4.19Å; K329-F382 HydrophobicContact CD-CG 3.94Å; K329-F382 HydrophobicContact CG-CB 4.26Å; K329-F382 HydrophobicContact CG-CD1 4.21Å; K329-F382 HydrophobicContact CG-CD2 3.72Å; K329-F382 HydrophobicContact CG-CE1 4.45Å; K329-F382 HydrophobicContact CG-CE2 3.98Å; K329-F382 HydrophobicContact CG-CG 3.84Å; K329-F382 HydrophobicContact CG-CZ 4.33Å; P330-F382 HydrophobicContact CB-CB 4.5Å; P330-F382 WeakPolarHBondContact O-CA 3.25Å; V331-F382 WeakPolarHBondContact O-CE2 3.19Å; W335-F382 HydrophobicContact CB-CE2 4.36Å; W335-F382 HydrophobicContact CB-CZ 4Å; Y355-F382 AromaticContact CD1-CD1 3.92Å; Y355-F382 HydrophobicContact CD1-CD1 3.92Å; Y355-F382 HydrophobicContact CD2-CD1 4.31Å; Y355-F382 HydrophobicContact CD2-CE1 4.34Å; Y355-F382 AromaticContact CE1-CD1 3.73Å; Y355-F382 HydrophobicContact CE1-CD1 3.73Å; Y355-F382 HydrophobicContact CE1-CE1 4.46Å; Y355-F382 HydrophobicContact CE2-CD1 4.2Å; Y355-F382 HydrophobicContact CE2-CE1 4.14Å; Y355-F382 HydrophobicContact CG-CD1 4.23Å; Y355-F382 AromaticContact CZ-CD1 3.92Å; S378-F382 VanDerWaalsContact O-CB 3.28Å; S378-F382 WeakPolarHBondContact O-CB 3.33Å; S378-F382 PolarHBondContact O-N 3.12Å; D379-F382 WeakPolarHBondContact O-CB 3.35Å; D379-F382 PolarHBondContact O-N 3.38Å; F382-L384 VanDerWaalsContact C-N 3.32Å; F382-L384 PolarHBondContact O-N 2.9Å; F382-N385 PolarHBondContact O-N 3.47Å; F382-I386 HydrophobicContact CD1-CD1 3.84Å; F382-I386 HydrophobicContact CD2-CD1 4.06Å; F382-I386 HydrophobicContact CE1-CD1 3.68Å; F382-I386 HydrophobicContact CE2-CD1 3.92Å; F382-I386 HydrophobicContact CG-CD1 4.04Å; F382-I386 HydrophobicContact CZ-CD1 3.73Å; F382-I386 WeakPolarHBondContact O-CD1 3.36Å; F382-I386 VanDerWaalsContact O-CG1 3.28Å; F382-I386 WeakPolarHBondContact O-CG1 3.47Å; F382-I386 PolarHBondContact O-N 3.41Å; F382-I386 VanDerWaalsContact O-N 3.11Å
383	A	98.6	Very high	96.7	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-59.4	-42.6	175.6	0	0	0	0	0	112.4	Y355 D379 R380 I386 G387 L388 F390	Y355-A383 HydrophobicContact CD1-CB 4.3Å; D379-A383 PolarHBondContact O-N 3.05Å; D379-A383 VanDerWaalsContact O-N 3.08Å; R380-A383 PolarHBondContact O-N 3.13Å; A383-I386 PolarHBondContact O-N 2.94Å; A383-G387 PolarHBondContact O-N 3Å; A383-L388 HydrophobicContact CB-CB 4.31Å; A383-L388 PolarHBondContact O-N 2.93Å; A383-F390 HydrophobicContact CB-CB 3.85Å; A383-F390 HydrophobicContact CB-CD2 3.74Å; A383-F390 HydrophobicContact CB-CG 4.19Å
384	L	98.1	Very high	96.8	Very high	58 Å²	58	28.6 Å²	28.6	30%	0.304	15%	0.146	S	C	.	.	H	α-helix	trans	-66.8	-34.2	179.7	-173.2	63.5	0	0	0	113.4	R380 L381 F382 L407 F590	R380-L384 VanDerWaalsContact O-CB 3.22Å; R380-L384 WeakPolarHBondContact O-CB 3.42Å; R380-L384 PolarHBondContact O-N 3.2Å; L381-L384 HydrophobicContact CD2-CD2 3.9Å; L381-L384 PolarHBondContact O-N 3.35Å; F382-L384 VanDerWaalsContact C-N 3.32Å; F382-L384 PolarHBondContact O-N 2.9Å; L384-L407 HydrophobicContact CD2-CD1 4.18Å; L384-L407 HydrophobicContact CD2-CD2 4.42Å; L384-F590 HydrophobicContact CD2-CD2 4.36Å; L384-F590 HydrophobicContact CD2-CE2 3.75Å; L384-F590 HydrophobicContact CD2-CZ 4.44Å; L384-F590 HydrophobicContact CG-CE2 4.5Å
385	N	98.3	Very high	97	Very high	21 Å²	21	28.5 Å²	28.5	11%	0.112	14%	0.144	C	C	.	.	H	α-helix	trans	-68.2	-42.7	172.8	-80.5	-19.1	0	0	0	111.5	P330 M332 L381 F382 Q589 F590	P330-N385 PolarHBondContact O-ND2 2.93Å; M332-N385 HydrophobicContact CG-CB 3.84Å; M332-N385 VanDerWaalsContact SD-C 3.6Å; M332-N385 HydrophobicContact SD-CB 4.32Å; M332-N385 VanDerWaalsContact SD-O 3.35Å; L381-N385 WeakPolarHBondContact O-CB 3.31Å; L381-N385 VanDerWaalsContact O-CG 3.25Å; L381-N385 PolarHBondContact O-N 2.66Å; L381-N385 PolarHBondContact O-ND2 3.24Å; F382-N385 PolarHBondContact O-N 3.47Å; N385-Q589 HydrophobicContact CB-CG 4.17Å; N385-Q589 WeakPolarHBondContact OD1-CA 3.34Å; N385-F590 PolarHBondContact ND2-N 2.89Å; N385-F590 PolarHBondContact ND2-O 3.28Å; N385-F590 WeakPolarHBondContact OD1-CD2 3.41Å; N385-F590 PolarHBondContact OD1-N 2.83Å
386	I	98.1	Very high	97.5	Very high	5 Å²	5	23.1 Å²	23.1	3%	0.026	12%	0.12	C	C	.	.	H	α-helix	trans	-71.9	-33.5	-179.9	-58.5	159.4	0	0	0	111.4	M332 W335 K350 F382 A383 L388	M332-I386 HydrophobicContact CG-CG1 3.77Å; M332-I386 VanDerWaalsContact SD-CA 3.54Å; M332-I386 HydrophobicContact SD-CB 4.21Å; M332-I386 HydrophobicContact SD-CG1 3.81Å; W335-I386 HydrophobicContact CB-CD1 3.68Å; W335-I386 HydrophobicContact CB-CG1 4.08Å; W335-I386 HydrophobicContact CD2-CD1 3.82Å; W335-I386 HydrophobicContact CD2-CG1 4.31Å; W335-I386 HydrophobicContact CD2-CG2 3.78Å; W335-I386 VanDerWaalsContact CE2-CG2 3.49Å; W335-I386 HydrophobicContact CE3-CD1 4Å; W335-I386 HydrophobicContact CG-CD1 3.66Å; W335-I386 HydrophobicContact CG-CG1 3.87Å; W335-I386 HydrophobicContact CG-CG2 3.92Å; W335-I386 HydrophobicContact CZ2-CG2 4Å; K350-I386 HydrophobicContact CD-CG2 4.38Å; K350-I386 WeakPolarHBondContact CD-O 3.29Å; K350-I386 WeakPolarHBondContact CE-O 3.3Å; K350-I386 PolarHBondContact NZ-O 3.22Å; F382-I386 HydrophobicContact CD1-CD1 3.84Å; F382-I386 HydrophobicContact CD2-CD1 4.06Å; F382-I386 HydrophobicContact CE1-CD1 3.68Å; F382-I386 HydrophobicContact CE2-CD1 3.92Å; F382-I386 HydrophobicContact CG-CD1 4.04Å; F382-I386 HydrophobicContact CZ-CD1 3.73Å; F382-I386 WeakPolarHBondContact O-CD1 3.36Å; F382-I386 VanDerWaalsContact O-CG1 3.28Å; F382-I386 WeakPolarHBondContact O-CG1 3.47Å; F382-I386 PolarHBondContact O-N 3.41Å; F382-I386 VanDerWaalsContact O-N 3.11Å; A383-I386 PolarHBondContact O-N 2.94Å; I386-L388 HydrophobicContact CB-CD1 4.2Å; I386-L388 HydrophobicContact CB-CG 3.97Å; I386-L388 HydrophobicContact CD1-CD1 3.89Å; I386-L388 HydrophobicContact CG2-CD1 3.94Å; I386-L388 HydrophobicContact CG2-CD2 4.18Å; I386-L388 HydrophobicContact CG2-CG 3.62Å
387	G	97.8	Very high	97.6	Very high	50 Å²	50	22.5 Å²	22.5	52%	0.515	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	88	33.8	-168.5	0	0	0	0	0	112.9	A383	A383-G387 PolarHBondContact O-N 3Å
388	L	98.3	Very high	97.4	Very high	15 Å²	15	24.7 Å²	24.7	8%	0.079	13%	0.127	C	C	.	.			trans	-94	152.9	175.4	-64.9	175	0	0	0	111.5	W335 K350 A383 I386	W335-L388 HydrophobicContact CE3-CD1 4.01Å; W335-L388 HydrophobicContact CH2-CD1 3.88Å; W335-L388 HydrophobicContact CH2-CD2 3.81Å; W335-L388 HydrophobicContact CH2-CG 4.39Å; W335-L388 HydrophobicContact CZ2-CD1 4.47Å; W335-L388 HydrophobicContact CZ2-CD2 4.13Å; W335-L388 HydrophobicContact CZ3-CD1 3.63Å; W335-L388 HydrophobicContact CZ3-CD2 4.42Å; K350-L388 HydrophobicContact CB-CD2 4.2Å; K350-L388 HydrophobicContact CG-CD2 4.34Å; A383-L388 HydrophobicContact CB-CB 4.31Å; A383-L388 PolarHBondContact O-N 2.93Å; I386-L388 HydrophobicContact CB-CD1 4.2Å; I386-L388 HydrophobicContact CB-CG 3.97Å; I386-L388 HydrophobicContact CD1-CD1 3.89Å; I386-L388 HydrophobicContact CG2-CD1 3.94Å; I386-L388 HydrophobicContact CG2-CD2 4.18Å; I386-L388 HydrophobicContact CG2-CG 3.62Å
389	K	98.3	Very high	97.2	Very high	125 Å²	125	27.1 Å²	27.1	54%	0.543	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	135.1	163.4	-167.3	173.6	-177	-168.2	0	109.7	F354 Y355 Y391	F354-K389 CarbonylContact C-O 3.49Å; F354-K389 VanDerWaalsContact CA-O 3.23Å; F354-K389 WeakPolarHBondContact CA-O 3.41Å; F354-K389 HydrophobicContact CB-CB 4.21Å; F354-K389 WeakPolarHBondContact CB-O 3.41Å; Y355-K389 PolarHBondContact N-O 3.08Å; K389-Y391 HydrophobicContact CD-CE1 4.44Å; K389-Y391 HydrophobicContact CD-CE2 4.27Å; K389-Y391 WeakPolarHBondContact CD-OH 3.41Å; K389-Y391 WeakPolarHBondContact CE-OH 3.39Å; K389-Y391 HydrophobicContact CG-CE2 4.3Å; K389-Y391 PolarHBondContact NZ-OH 3.48Å
390	F	98.6	Very high	96.9	Very high	30 Å²	30	32.8 Å²	32.8	13%	0.132	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	146.1	-178.9	-178.1	-100.5	0	0	0	111.9	Y355 G357 A360 D379 R380 A383 T392	Y355-F390 HydrophobicContact CD1-CD2 4.14Å; Y355-F390 HydrophobicContact CD1-CE2 4.09Å; Y355-F390 WeakPolarHBondContact O-CA 3.31Å; G357-F390 WeakPolarHBondContact O-CZ 3.38Å; A360-F390 HydrophobicContact CB-CE1 3.81Å; A360-F390 HydrophobicContact CB-CZ 3.86Å; D379-F390 HydrophobicContact CB-CE2 3.87Å; D379-F390 HydrophobicContact CB-CZ 4.2Å; R380-F390 HydrophobicContact CB-CD1 4.06Å; R380-F390 HydrophobicContact CB-CD2 4.5Å; R380-F390 HydrophobicContact CB-CE1 3.83Å; R380-F390 HydrophobicContact CB-CE2 4.3Å; R380-F390 HydrophobicContact CB-CG 4.37Å; R380-F390 HydrophobicContact CB-CZ 3.94Å; R380-F390 HydrophobicContact CG-CD1 3.91Å; R380-F390 HydrophobicContact CG-CE1 4.12Å; R380-F390 HydrophobicContact CG-CG 4.27Å; A383-F390 HydrophobicContact CB-CB 3.85Å; A383-F390 HydrophobicContact CB-CD2 3.74Å; A383-F390 HydrophobicContact CB-CG 4.19Å; F390-T392 HydrophobicContact CE1-CG2 4.1Å
391	Y	98.4	Very high	96.5	Very high	61 Å²	61	41.3 Å²	41.3	24%	0.239	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	157.5	167.9	-51.8	-85.8	0	0	0	110.8	F354 Y355 V356 G357 K389 E395 Y396	F354-Y391 HydrophobicContact CB-CD2 4.34Å; F354-Y391 HydrophobicContact CB-CE2 3.93Å; F354-Y391 AromaticContact CD2-CD2 3.94Å; F354-Y391 HydrophobicContact CD2-CD2 3.94Å; F354-Y391 AromaticContact CD2-CE2 3.95Å; F354-Y391 HydrophobicContact CD2-CE2 3.95Å; F354-Y391 HydrophobicContact CG-CD2 4.37Å; F354-Y391 AromaticContact CG-CE2 3.97Å; F354-Y391 HydrophobicContact CG-CE2 3.97Å; Y355-Y391 PolarHBondContact O-N 3.49Å; V356-Y391 VanDerWaalsContact CA-O 3.29Å; V356-Y391 WeakPolarHBondContact CA-O 3.39Å; V356-Y391 HydrophobicContact CG2-CD2 4.37Å; G357-Y391 PolarHBondContact N-O 3.09Å; K389-Y391 HydrophobicContact CD-CE1 4.44Å; K389-Y391 HydrophobicContact CD-CE2 4.27Å; K389-Y391 WeakPolarHBondContact CD-OH 3.41Å; K389-Y391 WeakPolarHBondContact CE-OH 3.39Å; K389-Y391 HydrophobicContact CG-CE2 4.3Å; K389-Y391 PolarHBondContact NZ-OH 3.48Å; Y391-E395 WeakPolarHBondContact CA-OE2 3.45Å; Y391-Y396 AromaticContact CD2-CD2 3.74Å; Y391-Y396 HydrophobicContact CD2-CD2 3.74Å; Y391-Y396 HydrophobicContact CD2-CE2 4.44Å; Y391-Y396 HydrophobicContact CE2-CD2 4.02Å; Y391-Y396 HydrophobicContact CE2-CE2 4.34Å; Y391-Y396 HydrophobicContact CG-CD2 4.07Å
392	T	98.1	Very high	96.2	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.006	24%	0.24	C	C	.	.			trans	-85.8	162.4	163	64	0	0	0	0	111.4	A360 F390 E394 E395 Y396	A360-T392 HydrophobicContact CB-CG2 3.55Å; F390-T392 HydrophobicContact CE1-CG2 4.1Å; T392-E394 VanDerWaalsContact C-N 3.26Å; T392-E394 PolarHBondContact O-N 3.19Å; T392-E395 PolarHBondContact N-OE2 2.79Å; T392-E395 PolarHBondContact O-N 3.29Å; T392-E395 WeakPolarHBondContact OG1-CG 3.25Å; T392-E395 PolarHBondContact OG1-N 2.93Å; T392-E395 PolarHBondContact OG1-OE1 3.15Å; T392-E395 PolarHBondContact OG1-OE2 2.88Å; T392-Y396 WeakPolarHBondContact O-CB 3.43Å; T392-Y396 PolarHBondContact O-N 2.64Å
393	P	97.3	Very high	95.8	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-58.8	-38.7	178	-24.6	35.5	0	0	0	112.3	C244 L264 Y265 V356 G357 D358 Y396 F397	C244-P393 HydrophobicContact CB-CG 3.88Å; L264-P393 HydrophobicContact CD2-CB 4.04Å; Y265-P393 HydrophobicContact CE2-CB 3.93Å; V356-P393 HydrophobicContact CG1-CG 4.46Å; G357-P393 WeakPolarHBondContact O-CD 3.46Å; D358-P393 HydrophobicContact CB-CG 4.15Å; P393-Y396 PolarHBondContact O-N 2.82Å; P393-F397 HydrophobicContact CB-CD2 4.13Å; P393-F397 HydrophobicContact CB-CE2 4.42Å; P393-F397 WeakPolarHBondContact O-CB 3.37Å; P393-F397 WeakPolarHBondContact O-CD2 3.36Å; P393-F397 PolarHBondContact O-N 2.83Å
394	E	95.1	Very high	95.6	Very high	4 Å²	4	49.8 Å²	49.8	2%	0.019	27%	0.27	C	S	.	.	H	α-helix	trans	-65.9	-43.3	176.1	-66.3	87.7	166.2	0	0	112.9	Y265 R362 W366 K370 T392 L398 G399 W400	Y265-E394 VanDerWaalsContact OH-CD 3.24Å; Y265-E394 VanDerWaalsContact OH-CG 3.31Å; Y265-E394 WeakPolarHBondContact OH-CG 2.99Å; Y265-E394 PolarHBondContact OH-OE1 3.12Å; Y265-E394 VanDerWaalsContact OH-OE1 3.08Å; R362-E394 IonicContact CZ-OE2 3.47Å; R362-E394 IonicContact NH1-OE1 2.71Å; R362-E394 IonicContact NH1-OE2 3.76Å; R362-E394 PolarHBondContact NH1-OE2 2.83Å; R362-E394 IonicContact NH2-OE2 3.97Å; W366-E394 HydrophobicContact CH2-CB 4.47Å; W366-E394 VanDerWaalsContact CH2-CD 3.47Å; W366-E394 HydrophobicContact CH2-CG 3.87Å; W366-E394 WeakPolarHBondContact CH2-OE1 3.28Å; W366-E394 HydrophobicContact CZ3-CG 4.47Å; K370-E394 WeakPolarHBondContact CE-OE1 3.33Å; K370-E394 IonicContact NZ-OE1 3.6Å; K370-E394 PolarHBondContact NZ-OE1 3.09Å; T392-E394 VanDerWaalsContact C-N 3.26Å; T392-E394 PolarHBondContact O-N 3.19Å; E394-L398 WeakPolarHBondContact O-CB 3.48Å; E394-L398 PolarHBondContact O-N 2.93Å; E394-G399 PolarHBondContact O-N 3.38Å; E394-W400 HydrophobicContact CB-CB 4.35Å; E394-W400 HydrophobicContact CB-CD2 3.92Å; E394-W400 HydrophobicContact CB-CE3 3.69Å; E394-W400 HydrophobicContact CB-CG 4.22Å; E394-W400 HydrophobicContact CB-CZ3 4.28Å; E394-W400 HydrophobicContact CG-CD2 4.4Å; E394-W400 HydrophobicContact CG-CE3 3.96Å; E394-W400 HydrophobicContact CG-CZ3 4.02Å; E394-W400 WeakPolarHBondContact O-CB 3.27Å; E394-W400 PolarHBondContact O-N 3.15Å; E394-W400 VanDerWaalsContact O-N 3.11Å
395	E	95	Very high	95.5	Very high	21 Å²	21	52.3 Å²	52.3	10%	0.098	28%	0.276	C	S	.	.	H	α-helix	trans	-62.2	-44.9	173.8	-74.1	159.1	-169.6	0	0	111.6	Y391 T392 G399 S402 A403	Y391-E395 WeakPolarHBondContact CA-OE2 3.45Å; T392-E395 PolarHBondContact N-OE2 2.79Å; T392-E395 PolarHBondContact O-N 3.29Å; T392-E395 WeakPolarHBondContact OG1-CG 3.25Å; T392-E395 PolarHBondContact OG1-N 2.93Å; T392-E395 PolarHBondContact OG1-OE1 3.15Å; T392-E395 PolarHBondContact OG1-OE2 2.88Å; E395-G399 VanDerWaalsContact O-CA 3.31Å; E395-G399 WeakPolarHBondContact O-CA 3.46Å; E395-G399 PolarHBondContact O-N 3.41Å; E395-S402 WeakPolarHBondContact OE1-CA 3.38Å; E395-S402 VanDerWaalsContact OE1-CB 3.3Å; E395-S402 WeakPolarHBondContact OE1-CB 3.22Å; E395-S402 PolarHBondContact OE1-OG 2.8Å; E395-A403 PolarHBondContact OE1-N 2.82Å; E395-A403 VanDerWaalsContact OE1-N 3.09Å
396	Y	97.6	Very high	95.2	Very high	46 Å²	46	55.3 Å²	55.3	18%	0.18	30%	0.299	C	S	.	.	H	α-helix	trans	-82	-49.7	-169.8	-171.8	-97.8	0	0	0	114.2	F239 L275 F354 V356 Y391 T392 P393	F239-Y396 HydrophobicContact CE1-CD1 4.1Å; F239-Y396 HydrophobicContact CE1-CE1 4.09Å; F239-Y396 HydrophobicContact CZ-CE1 4.22Å; L275-Y396 HydrophobicContact CD1-CE1 4.4Å; L275-Y396 WeakPolarHBondContact CD1-OH 3.48Å; F354-Y396 HydrophobicContact CD2-CE2 4.26Å; F354-Y396 HydrophobicContact CE2-CD2 4.08Å; F354-Y396 HydrophobicContact CE2-CE1 4.29Å; F354-Y396 AromaticContact CE2-CE2 3.53Å; F354-Y396 HydrophobicContact CE2-CE2 3.53Å; F354-Y396 AromaticContact CE2-CZ 3.69Å; F354-Y396 HydrophobicContact CZ-CE1 4.47Å; F354-Y396 AromaticContact CZ-CE2 3.69Å; F354-Y396 HydrophobicContact CZ-CE2 3.69Å; F354-Y396 AromaticContact CZ-CZ 3.61Å; F354-Y396 WeakPolarHBondContact CZ-OH 3.47Å; V356-Y396 HydrophobicContact CG1-CG 4.44Å; V356-Y396 HydrophobicContact CG2-CD1 4.13Å; V356-Y396 HydrophobicContact CG2-CD2 4.15Å; V356-Y396 HydrophobicContact CG2-CG 3.82Å; Y391-Y396 AromaticContact CD2-CD2 3.74Å; Y391-Y396 HydrophobicContact CD2-CD2 3.74Å; Y391-Y396 HydrophobicContact CD2-CE2 4.44Å; Y391-Y396 HydrophobicContact CE2-CD2 4.02Å; Y391-Y396 HydrophobicContact CE2-CE2 4.34Å; Y391-Y396 HydrophobicContact CG-CD2 4.07Å; T392-Y396 WeakPolarHBondContact O-CB 3.43Å; T392-Y396 PolarHBondContact O-N 2.64Å; P393-Y396 PolarHBondContact O-N 2.82Å
397	F	94.9	Very high	95.1	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-45.6	-174.9	-63.5	-68.1	0	0	0	111.7	F239 I245 Y265 E267 I268 R271 V356 P393	F239-F397 HydrophobicContact CD1-CE2 4.28Å; F239-F397 AromaticContact CD1-CZ 3.71Å; F239-F397 HydrophobicContact CD1-CZ 3.71Å; F239-F397 HydrophobicContact CE1-CE1 4.07Å; F239-F397 HydrophobicContact CE1-CE2 4.26Å; F239-F397 AromaticContact CE1-CZ 3.46Å; F239-F397 HydrophobicContact CE1-CZ 3.46Å; F239-F397 VanDerWaalsContact CE1-CZ 3.46Å; F239-F397 HydrophobicContact CZ-CZ 4.48Å; I245-F397 HydrophobicContact CD1-CE2 4.48Å; I245-F397 HydrophobicContact CD1-CZ 3.94Å; Y265-F397 HydrophobicContact CD2-CB 4.12Å; Y265-F397 HydrophobicContact CD2-CD2 4.34Å; E267-F397 HydrophobicContact CB-CB 4.49Å; I268-F397 HydrophobicContact CB-CD1 4.3Å; I268-F397 HydrophobicContact CB-CE1 4.13Å; I268-F397 HydrophobicContact CB-CZ 4.44Å; I268-F397 HydrophobicContact CD1-CD2 4.34Å; I268-F397 HydrophobicContact CD1-CE2 4.28Å; I268-F397 HydrophobicContact CG1-CB 4.48Å; I268-F397 HydrophobicContact CG1-CD1 3.78Å; I268-F397 HydrophobicContact CG1-CD2 3.88Å; I268-F397 HydrophobicContact CG1-CE1 3.87Å; I268-F397 HydrophobicContact CG1-CE2 3.96Å; I268-F397 HydrophobicContact CG1-CG 3.79Å; I268-F397 HydrophobicContact CG1-CZ 3.95Å; I268-F397 HydrophobicContact CG2-CE1 4.04Å; I268-F397 HydrophobicContact CG2-CZ 4.07Å; R271-F397 HydrophobicContact CB-CD1 3.86Å; R271-F397 HydrophobicContact CB-CE1 4.08Å; R271-F397 HydrophobicContact CG-CD1 4.04Å; R271-F397 PolarHBondContact NE-O 3.31Å; R271-F397 PolarHBondContact NH2-O 2.99Å; V356-F397 HydrophobicContact CG1-CE2 4.4Å; P393-F397 HydrophobicContact CB-CD2 4.13Å; P393-F397 HydrophobicContact CB-CE2 4.42Å; P393-F397 WeakPolarHBondContact O-CB 3.37Å; P393-F397 WeakPolarHBondContact O-CD2 3.36Å; P393-F397 PolarHBondContact O-N 2.83Å
398	L	91.9	Very high	94.9	Very high	51 Å²	51	58.4 Å²	58.4	27%	0.267	31%	0.306	S	S	.	.	S	Bend	trans	-92.1	-9.6	-175.2	-49.3	-179.4	0	0	0	113.8	Y265 E267 E394 W400	Y265-L398 HydrophobicContact CD1-CD1 4.11Å; Y265-L398 HydrophobicContact CD1-CD2 4.18Å; Y265-L398 HydrophobicContact CD1-CG 4.49Å; Y265-L398 HydrophobicContact CD2-CD1 4.36Å; Y265-L398 HydrophobicContact CD2-CD2 4.13Å; Y265-L398 HydrophobicContact CD2-CG 4.11Å; Y265-L398 HydrophobicContact CE1-CD1 3.86Å; Y265-L398 HydrophobicContact CE2-CD1 4.1Å; Y265-L398 HydrophobicContact CE2-CG 4.19Å; Y265-L398 HydrophobicContact CG-CD1 4.38Å; Y265-L398 HydrophobicContact CG-CD2 3.88Å; Y265-L398 HydrophobicContact CG-CG 4.28Å; E267-L398 HydrophobicContact CG-CD2 4.47Å; E267-L398 WeakPolarHBondContact OE2-CD2 3.33Å; E394-L398 WeakPolarHBondContact O-CB 3.48Å; E394-L398 PolarHBondContact O-N 2.93Å; L398-W400 VanDerWaalsContact C-N 3.35Å; L398-W400 HydrophobicContact CB-CG 4.35Å; L398-W400 HydrophobicContact CD1-CZ2 4.15Å
399	G	91.8	Very high	94.6	Very high	58 Å²	58	66 Å²	66	60%	0.598	35%	0.346	S	S	*	.			trans	71.3	25.5	179.5	0	0	0	0	0	114.3	E394 E395	E394-G399 PolarHBondContact O-N 3.38Å; E395-G399 VanDerWaalsContact O-CA 3.31Å; E395-G399 WeakPolarHBondContact O-CA 3.46Å; E395-G399 PolarHBondContact O-N 3.41Å
400	W	93	Very high	94.4	Very high	121 Å²	121	61.5 Å²	61.5	46%	0.458	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-67.5	154.3	179.1	-72	17.2	0	0	0	111.9	W366 A367 E394 L398	W366-W400 HydrophobicContact CH2-CZ3 4.42Å; W366-W400 HydrophobicContact CZ3-CE3 4.25Å; W366-W400 HydrophobicContact CZ3-CZ3 4.08Å; A367-W400 HydrophobicContact CB-CZ3 3.76Å; E394-W400 HydrophobicContact CB-CB 4.35Å; E394-W400 HydrophobicContact CB-CD2 3.92Å; E394-W400 HydrophobicContact CB-CE3 3.69Å; E394-W400 HydrophobicContact CB-CG 4.22Å; E394-W400 HydrophobicContact CB-CZ3 4.28Å; E394-W400 HydrophobicContact CG-CD2 4.4Å; E394-W400 HydrophobicContact CG-CE3 3.96Å; E394-W400 HydrophobicContact CG-CZ3 4.02Å; E394-W400 WeakPolarHBondContact O-CB 3.27Å; E394-W400 PolarHBondContact O-N 3.15Å; E394-W400 VanDerWaalsContact O-N 3.11Å; L398-W400 VanDerWaalsContact C-N 3.35Å; L398-W400 HydrophobicContact CB-CG 4.35Å; L398-W400 HydrophobicContact CD1-CZ2 4.15Å
401	K	90.5	Very high	94.2	Very high	201 Å²	201	60.9 Å²	60.9	87%	0.874	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-62.5	147.4	169.3	-68.3	-175.3	178.1	-178.5	0	109.9	A403	K401-A403 PolarHBondContact O-N 2.94Å
402	S	92.3	Very high	94.1	Very high	83 Å²	83	58 Å²	58	58%	0.58	31%	0.314	S	S	*	.	P	Polyproline II helix	trans	-66	136.4	-175.6	-169.6	0	0	0	0	112.6	E395	E395-S402 WeakPolarHBondContact OE1-CA 3.38Å; E395-S402 VanDerWaalsContact OE1-CB 3.3Å; E395-S402 WeakPolarHBondContact OE1-CB 3.22Å; E395-S402 PolarHBondContact OE1-OG 2.8Å
403	A	90.7	Very high	93.9	Very high	11 Å²	11	62.6 Å²	62.6	9%	0.091	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-83.1	145.6	-178.8	0	0	0	0	0	111.2	R362 W366 E395 K401	R362-A403 HydrophobicContact CG-CB 3.98Å; W366-A403 HydrophobicContact CD2-CB 4.42Å; W366-A403 HydrophobicContact CE3-CB 3.82Å; W366-A403 HydrophobicContact CZ3-CB 4.46Å; E395-A403 PolarHBondContact OE1-N 2.82Å; E395-A403 VanDerWaalsContact OE1-N 3.09Å; K401-A403 PolarHBondContact O-N 2.94Å
404	P	94.1	Very high	93.6	Very high	83 Å²	83	70.6 Å²	70.6	54%	0.539	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-60	152.3	170.5	27.9	-35	0	0	0	110.6	R362 P363	R362-P404 WeakPolarHBondContact CA-O 3.39Å; P363-P404 WeakPolarHBondContact CD-O 3.29Å; P363-P404 HydrophobicContact CG-CB 4.42Å; P363-P404 HydrophobicContact CG-CG 3.97Å
405	Y	95	Very high	93.3	Very high	112 Å²	112	71.3 Å²	71.3	44%	0.439	37%	0.37	S	S	.	.			trans	-152.3	158.1	179.2	63.9	-89.7	0	0	0	111.2	A360 G361 R380 L407	A360-Y405 WeakPolarHBondContact O-CB 3.28Å; G361-Y405 WeakPolarHBondContact O-CA 3.35Å; R380-Y405 VanDerWaalsContact CD-CD2 3.43Å; R380-Y405 VanDerWaalsContact NE-CG 3.35Å; R380-Y405 VanDerWaalsContact NH1-CE1 3.28Å; R380-Y405 VanDerWaalsContact NH2-CD1 3.35Å; Y405-L407 HydrophobicContact CD2-CD2 4.08Å; Y405-L407 HydrophobicContact CD2-CG 4.45Å; Y405-L407 HydrophobicContact CE2-CD2 3.89Å; Y405-L407 HydrophobicContact CE2-CG 4.13Å
406	S	93.4	Very high	92.8	Very high	84 Å²	84	74.2 Å²	74.2	59%	0.587	39%	0.386	S	S	*	.			trans	-112.8	142.4	170.9	-60.9	0	0	0	0	110.7	G361	G361-S406 PolarHBondContact O-N 2.93Å
407	L	94.4	Very high	92	Very high	69 Å²	69	74.4 Å²	74.4	36%	0.361	39%	0.394	S	S	.	.			trans	-92.1	162.9	165.3	-59.8	-176.2	0	0	0	109.7	L381 L384 Y405	L381-L407 HydrophobicContact CD2-CD2 3.95Å; L384-L407 HydrophobicContact CD2-CD1 4.18Å; L384-L407 HydrophobicContact CD2-CD2 4.42Å; Y405-L407 HydrophobicContact CD2-CD2 4.08Å; Y405-L407 HydrophobicContact CD2-CG 4.45Å; Y405-L407 HydrophobicContact CE2-CD2 3.89Å; Y405-L407 HydrophobicContact CE2-CG 4.13Å
408	P	93.6	Very high	91.3	Very high	51 Å²	51	79.3 Å²	79.3	33%	0.331	43%	0.428	S	S	.	.			trans	-60.4	146.6	172.4	-21.9	33.8	0	0	0	112.4	L381 F410 F590	L381-P408 HydrophobicContact CD1-CG 3.7Å; P408-F410 PolarHBondContact O-N 2.97Å; P408-F590 HydrophobicContact CB-CE1 4.43Å; P408-F590 HydrophobicContact CG-CD1 4.19Å; P408-F590 HydrophobicContact CG-CE1 4.12Å
409	D	91.9	Very high	90.9	Very high	173 Å²	173	79.7 Å²	79.7	93%	0.925	43%	0.434	S	S	*	.	S	Bend	trans	-58.7	-31.9	-179.9	-54.9	-35.1	0	0	0	112.7
410	F	94.6	Very high	90.8	Very high	32 Å²	32	83.1 Å²	83.1	14%	0.14	43%	0.429	C	S	.	.			trans	-98.6	116.3	175.2	175.9	-117	0	0	0	111.3	P408 P412 L415 E524 Q525 H528	P408-F410 PolarHBondContact O-N 2.97Å; F410-P412 HydrophobicContact CE1-CB 3.87Å; F410-P412 HydrophobicContact CZ-CB 3.93Å; F410-L415 HydrophobicContact CE2-CD1 4.06Å; F410-L415 HydrophobicContact CZ-CD1 3.99Å; F410-E524 HydrophobicContact CB-CB 3.93Å; F410-Q525 HydrophobicContact CD1-CG 4.41Å; F410-Q525 HydrophobicContact CD2-CG 3.76Å; F410-Q525 HydrophobicContact CE1-CG 4.24Å; F410-Q525 HydrophobicContact CE2-CG 3.58Å; F410-Q525 HydrophobicContact CG-CG 4.19Å; F410-Q525 HydrophobicContact CZ-CG 3.83Å; F410-H528 HydrophobicContact CD1-CB 4.32Å; F410-H528 HydrophobicContact CE1-CB 3.91Å; F410-H528 AromaticContact CE1-CD2 3.71Å; F410-H528 AromaticContact CE1-CG 3.81Å
411	D	95.6	Very high	90.7	Very high	16 Å²	16	79.9 Å²	79.9	9%	0.086	42%	0.421	C	S	.	.			trans	-105.4	104.3	174.6	-173.3	-18.2	0	0	0	109.7	R413 K414 F590	D411-R413 PolarHBondContact O-N 3.43Å; D411-R413 VanDerWaalsContact O-N 3.12Å; D411-R413 WeakPolarHBondContact OD1-CB 3.41Å; D411-R413 IonicContact OD1-CZ 3.18Å; D411-R413 PolarHBondContact OD1-N 2.94Å; D411-R413 IonicContact OD1-NE 2.78Å; D411-R413 PolarHBondContact OD1-NE 2.82Å; D411-R413 IonicContact OD1-NH2 3.38Å; D411-R413 PolarHBondContact OD1-NH2 3.07Å; D411-R413 IonicContact OD2-CZ 2.68Å; D411-R413 IonicContact OD2-NE 2.65Å; D411-R413 IonicContact OD2-NH2 3.48Å; D411-R413 PolarHBondContact OD2-NH2 2.96Å; D411-K414 HydrophobicContact CB-CB 4.38Å; D411-K414 HydrophobicContact CB-CD 3.95Å; D411-K414 HydrophobicContact CB-CG 4.08Å; D411-K414 PolarHBondContact O-N 3.01Å; D411-K414 VanDerWaalsContact O-N 3.11Å; D411-K414 WeakPolarHBondContact OD2-CE 3.29Å; D411-K414 IonicContact OD2-NZ 3.39Å; D411-F590 HydrophobicContact CB-CZ 4.08Å; D411-F590 WeakPolarHBondContact OD1-CZ 3.22Å
412	P	95.3	Very high	90.9	Very high	1 Å²	1	72.1 Å²	72.1	1%	0.006	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-66.4	-15.8	-174.2	26.4	-33.6	0	0	0	113.5	F410 F587 Q589 F590	F410-P412 HydrophobicContact CE1-CB 3.87Å; F410-P412 HydrophobicContact CZ-CB 3.93Å; P412-F587 WeakPolarHBondContact CB-O 3.44Å; P412-Q589 WeakPolarHBondContact CG-O 3.44Å; P412-F590 HydrophobicContact CG-CD1 4.39Å; P412-F590 HydrophobicContact CG-CG 4.4Å
413	R	93.5	Very high	90.9	Very high	98 Å²	98	70.5 Å²	70.5	37%	0.37	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-72.4	-34	175.8	-54.7	168.5	-60.7	165.6	7.4	111.6	D411 L415 R588	D411-R413 PolarHBondContact O-N 3.43Å; D411-R413 VanDerWaalsContact O-N 3.12Å; D411-R413 WeakPolarHBondContact OD1-CB 3.41Å; D411-R413 IonicContact OD1-CZ 3.18Å; D411-R413 PolarHBondContact OD1-N 2.94Å; D411-R413 IonicContact OD1-NE 2.78Å; D411-R413 PolarHBondContact OD1-NE 2.82Å; D411-R413 IonicContact OD1-NH2 3.38Å; D411-R413 PolarHBondContact OD1-NH2 3.07Å; D411-R413 IonicContact OD2-CZ 2.68Å; D411-R413 IonicContact OD2-NE 2.65Å; D411-R413 IonicContact OD2-NH2 3.48Å; D411-R413 PolarHBondContact OD2-NH2 2.96Å; R413-L415 VanDerWaalsContact C-N 3.27Å; R413-L415 PolarHBondContact O-N 2.86Å; R413-R588 WeakPolarHBondContact CG-O 3.41Å; R413-R588 PolarHBondContact O-NH1 3.23Å
414	K	92.2	Very high	91	Very high	168 Å²	168	72.7 Å²	72.7	73%	0.73	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-81.2	-0.3	-178.5	-63.3	-178.5	-175	166.9	0	113.7	D411 D416	D411-K414 HydrophobicContact CB-CB 4.38Å; D411-K414 HydrophobicContact CB-CD 3.95Å; D411-K414 HydrophobicContact CB-CG 4.08Å; D411-K414 PolarHBondContact O-N 3.01Å; D411-K414 VanDerWaalsContact O-N 3.11Å; D411-K414 WeakPolarHBondContact OD2-CE 3.29Å; D411-K414 IonicContact OD2-NZ 3.39Å; K414-D416 PolarHBondContact O-N 3.07Å
415	L	88.9	Confident	90.7	Very high	19 Å²	19	72.5 Å²	72.5	10%	0.099	38%	0.384	C	S	.	.			trans	-74.1	117.3	-179.5	-163.3	161.4	0	0	0	109.8	F410 R413 S417 F574 P576 F587 R588	F410-L415 HydrophobicContact CE2-CD1 4.06Å; F410-L415 HydrophobicContact CZ-CD1 3.99Å; R413-L415 VanDerWaalsContact C-N 3.27Å; R413-L415 PolarHBondContact O-N 2.86Å; L415-S417 PolarHBondContact O-N 3.13Å; L415-F574 HydrophobicContact CD1-CD1 3.69Å; L415-F574 HydrophobicContact CD1-CE1 3.65Å; L415-P576 HydrophobicContact CD1-CG 4.41Å; L415-P576 HydrophobicContact CD2-CG 3.74Å; L415-F587 HydrophobicContact CD1-CE1 4.16Å; L415-F587 HydrophobicContact CD1-CZ 4.5Å; L415-R588 PolarHBondContact O-NH1 2.92Å
416	D	83.6	Confident	90.5	Very high	82 Å²	82	72.4 Å²	72.4	44%	0.439	40%	0.4	S	S	.	.			trans	-74.9	114.5	176.7	175.4	22.6	0	0	0	111.9	K414 S418 C419	K414-D416 PolarHBondContact O-N 3.07Å; D416-S418 VanDerWaalsContact C-N 3.31Å; D416-S418 WeakPolarHBondContact OD1-CA 3.42Å; D416-S418 WeakPolarHBondContact OD1-CB 3.35Å; D416-S418 PolarHBondContact OD1-N 2.85Å; D416-S418 PolarHBondContact OD1-OG 2.87Å; D416-S418 PolarHBondContact OD2-OG 3.35Å; D416-C419 HydrophobicContact CB-CB 4.3Å; D416-C419 WeakPolarHBondContact OD2-CA 3.32Å; D416-C419 WeakPolarHBondContact OD2-CB 3.49Å; D416-C419 PolarHBondContact OD2-N 3.14Å; D416-C419 VanDerWaalsContact OD2-N 3.16Å
417	S	80.2	Confident	90.3	Very high	50 Å²	50	69 Å²	69	35%	0.35	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-9.6	176.6	-60.5	0	0	0	0	113.6	L415 R588	L415-S417 PolarHBondContact O-N 3.13Å; S417-R588 PolarHBondContact OG-NH2 2.85Å
418	S	81.1	Confident	90.3	Very high	103 Å²	103	69.1 Å²	69.1	72%	0.72	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-4.6	176.8	71.7	0	0	0	0	113.7	D416	D416-S418 VanDerWaalsContact C-N 3.31Å; D416-S418 WeakPolarHBondContact OD1-CA 3.42Å; D416-S418 WeakPolarHBondContact OD1-CB 3.35Å; D416-S418 PolarHBondContact OD1-N 2.85Å; D416-S418 PolarHBondContact OD1-OG 2.87Å; D416-S418 PolarHBondContact OD2-OG 3.35Å
419	C	83.9	Confident	90.3	Very high	59 Å²	59	67.7 Å²	67.7	40%	0.399	37%	0.373	S	S	.	.	S	Bend	trans	-58.7	149.5	178.9	-171.9	0	0	0	0	111.7	D416 L421 V575	D416-C419 HydrophobicContact CB-CB 4.3Å; D416-C419 WeakPolarHBondContact OD2-CA 3.32Å; D416-C419 WeakPolarHBondContact OD2-CB 3.49Å; D416-C419 PolarHBondContact OD2-N 3.14Å; D416-C419 VanDerWaalsContact OD2-N 3.16Å; C419-L421 PolarHBondContact O-N 3.25Å; C419-V575 HydrophobicContact CB-CG2 4.22Å
420	R	89.3	Confident	90.4	Very high	129 Å²	129	61.1 Å²	61.1	49%	0.487	34%	0.339	S	S	.	.			trans	-54	132.5	177.7	-178.8	-179.6	-67.4	166	1	110.3	F422 D423 H573	R420-F422 WeakPolarHBondContact CD-O 3.31Å; R420-F422 WeakPolarHBondContact CG-O 3.39Å; R420-D423 WeakPolarHBondContact CD-OD1 3.35Å; R420-D423 IonicContact CZ-OD1 3.59Å; R420-D423 IonicContact NE-OD1 3.75Å; R420-D423 IonicContact NH1-OD1 2.68Å; R420-D423 PolarHBondContact NH1-OD1 3.37Å; R420-D423 IonicContact NH1-OD2 2.79Å; R420-H573 WeakPolarHBondContact O-CB 3.44Å; R420-H573 PolarHBondContact O-CD2 2.84Å; R420-H573 VanDerWaalsContact O-CD2 3.25Å
421	L	91	Very high	90.2	Very high	54 Å²	54	62 Å²	62	28%	0.283	35%	0.349	S	S	.	.	S	Bend	trans	-71.6	-33.5	-176.7	-177.1	61.5	0	0	0	113.3	C419 F450 H573 V575	C419-L421 PolarHBondContact O-N 3.25Å; L421-F450 HydrophobicContact CD1-CD2 4.47Å; L421-F450 HydrophobicContact CD1-CE2 4.1Å; L421-F450 HydrophobicContact CD2-CE2 3.94Å; L421-F450 HydrophobicContact CG-CE2 3.93Å; L421-H573 PolarHBondContact O-N 2.86Å; L421-V575 HydrophobicContact CD1-CB 4.25Å
422	F	93.9	Very high	89.9	Confident	38 Å²	38	68 Å²	68	17%	0.167	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	155.7	179.2	58.5	-94	0	0	0	112.7	R420 A427 L429 L570 Q571 I572	R420-F422 WeakPolarHBondContact CD-O 3.31Å; R420-F422 WeakPolarHBondContact CG-O 3.39Å; F422-A427 HydrophobicContact CD2-CB 4.45Å; F422-A427 HydrophobicContact CE2-CB 4.3Å; F422-A427 VanDerWaalsContact CE2-O 3.26Å; F422-A427 WeakPolarHBondContact CE2-O 3.49Å; F422-L429 HydrophobicContact CD1-CD1 4.14Å; F422-L429 HydrophobicContact CD1-CD2 3.71Å; F422-L429 HydrophobicContact CD1-CG 4.15Å; F422-L429 HydrophobicContact CD2-CD2 4.33Å; F422-L429 HydrophobicContact CE1-CD1 3.78Å; F422-L429 HydrophobicContact CE1-CD2 3.81Å; F422-L429 HydrophobicContact CE1-CG 3.76Å; F422-L429 HydrophobicContact CE2-CD2 4.42Å; F422-L429 HydrophobicContact CG-CD2 3.99Å; F422-L429 HydrophobicContact CZ-CD2 4.18Å; F422-L429 HydrophobicContact CZ-CG 4.08Å; F422-L570 HydrophobicContact CD2-CD2 4.45Å; F422-Q571 CarbonylContact C-O 3.46Å; F422-Q571 WeakPolarHBondContact CA-O 3.35Å; F422-Q571 VanDerWaalsContact CB-O 3.27Å; F422-Q571 WeakPolarHBondContact CB-O 3.44Å; F422-I572 HydrophobicContact CB-CD1 3.69Å
423	D	93.6	Very high	89.8	Confident	49 Å²	49	73 Å²	73	26%	0.262	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	143.8	174.1	-97.4	-36.3	0	0	0	112.2	R420 P425 L570 Q571	R420-D423 WeakPolarHBondContact CD-OD1 3.35Å; R420-D423 IonicContact CZ-OD1 3.59Å; R420-D423 IonicContact NE-OD1 3.75Å; R420-D423 IonicContact NH1-OD1 2.68Å; R420-D423 PolarHBondContact NH1-OD1 3.37Å; R420-D423 IonicContact NH1-OD2 2.79Å; D423-P425 WeakPolarHBondContact OD1-CD 3.41Å; D423-L570 WeakPolarHBondContact O-CA 3.4Å; D423-Q571 HydrophobicContact CB-CB 4.43Å; D423-Q571 PolarHBondContact N-O 3.49Å; D423-Q571 PolarHBondContact O-N 3.27Å
424	P	92.1	Very high	90	Very high	56 Å²	56	70.5 Å²	70.5	36%	0.364	41%	0.408	S	S	.	.	S	Bend	cis	-73.8	155.7	-1.7	31.1	-34	0	0	0	112.5	S426 A427	P424-S426 PolarHBondContact O-N 3.12Å; P424-S426 VanDerWaalsContact O-N 3.16Å; P424-A427 HydrophobicContact CG-CB 4.09Å; P424-A427 VanDerWaalsContact O-CB 3.31Å; P424-A427 WeakPolarHBondContact O-CB 3.31Å; P424-A427 PolarHBondContact O-N 3.32Å
425	P	88.4	Confident	90.2	Very high	79 Å²	79	62.6 Å²	62.6	51%	0.513	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-15.5	-171.9	30.2	-35.7	0	0	0	113.7	D423	D423-P425 WeakPolarHBondContact OD1-CD 3.41Å
426	S	90.1	Very high	90.7	Very high	111 Å²	111	61.7 Å²	61.7	78%	0.776	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-3.5	175.4	55.7	0	0	0	0	113.6	P424	P424-S426 PolarHBondContact O-N 3.12Å; P424-S426 VanDerWaalsContact O-N 3.16Å
427	A	90	Very high	91.4	Very high	13 Å²	13	57.8 Å²	57.8	11%	0.107	35%	0.348	C	S	.	.			trans	-71.3	142.6	178.5	0	0	0	0	0	111.4	F422 P424 E568 L570	F422-A427 HydrophobicContact CD2-CB 4.45Å; F422-A427 HydrophobicContact CE2-CB 4.3Å; F422-A427 VanDerWaalsContact CE2-O 3.26Å; F422-A427 WeakPolarHBondContact CE2-O 3.49Å; P424-A427 HydrophobicContact CG-CB 4.09Å; P424-A427 VanDerWaalsContact O-CB 3.31Å; P424-A427 WeakPolarHBondContact O-CB 3.31Å; P424-A427 PolarHBondContact O-N 3.32Å; A427-E568 WeakPolarHBondContact CB-OE1 3.34Å; A427-L570 HydrophobicContact CB-CD2 3.72Å; A427-L570 HydrophobicContact CB-CG 3.89Å
428	S	93.1	Very high	92.3	Very high	70 Å²	70	55.4 Å²	55.4	49%	0.49	33%	0.331	S	S	.	.			trans	-90.6	132.7	170	-176.5	0	0	0	0	110.6	T430 R515	S428-T430 PolarHBondContact O-N 3.21Å; S428-T430 PolarHBondContact OG-N 3.06Å; S428-T430 PolarHBondContact OG-O 3.24Å; S428-R515 PolarHBondContact O-NH1 3.35Å; S428-R515 PolarHBondContact O-NH2 3.31Å
429	L	93.8	Very high	93.1	Very high	22 Å²	22	50.5 Å²	50.5	12%	0.115	30%	0.297	C	S	.	.	S	Bend	trans	-67.3	-13.6	173.5	-64.1	-175.8	0	0	0	113.4	F422 F450 H454 F517 L570 I572	F422-L429 HydrophobicContact CD1-CD1 4.14Å; F422-L429 HydrophobicContact CD1-CD2 3.71Å; F422-L429 HydrophobicContact CD1-CG 4.15Å; F422-L429 HydrophobicContact CD2-CD2 4.33Å; F422-L429 HydrophobicContact CE1-CD1 3.78Å; F422-L429 HydrophobicContact CE1-CD2 3.81Å; F422-L429 HydrophobicContact CE1-CG 3.76Å; F422-L429 HydrophobicContact CE2-CD2 4.42Å; F422-L429 HydrophobicContact CG-CD2 3.99Å; F422-L429 HydrophobicContact CZ-CD2 4.18Å; F422-L429 HydrophobicContact CZ-CG 4.08Å; L429-F450 HydrophobicContact CD1-CE1 4.38Å; L429-F450 HydrophobicContact CD1-CZ 3.76Å; L429-F450 HydrophobicContact CD2-CE1 4.25Å; L429-F450 HydrophobicContact CD2-CZ 3.78Å; L429-F450 HydrophobicContact CG-CZ 4.43Å; L429-H454 HydrophobicContact CD1-CB 3.8Å; L429-F517 HydrophobicContact CD2-CE2 4.13Å; L429-F517 HydrophobicContact CD2-CZ 4.19Å; L429-F517 WeakPolarHBondContact O-CZ 3.11Å; L429-L570 HydrophobicContact CD2-CD2 3.92Å; L429-I572 HydrophobicContact CD2-CD1 4.45Å
430	T	93.9	Very high	93.8	Very high	35 Å²	35	47.7 Å²	47.7	22%	0.215	28%	0.278	C	S	.	.	S	Bend	trans	-145.5	141.9	178.4	54.7	0	0	0	0	112.4	S428 V455 K458 Y460	S428-T430 PolarHBondContact O-N 3.21Å; S428-T430 PolarHBondContact OG-N 3.06Å; S428-T430 PolarHBondContact OG-O 3.24Å; T430-V455 HydrophobicContact CG2-CG1 4.39Å; T430-K458 HydrophobicContact CG2-CB 3.96Å; T430-K458 HydrophobicContact CG2-CG 3.88Å; T430-Y460 VanDerWaalsContact CA-OH 3.28Å; T430-Y460 WeakPolarHBondContact CA-OH 3.39Å; T430-Y460 WeakPolarHBondContact CB-OH 3.23Å; T430-Y460 HydrophobicContact CG2-CD2 4.18Å; T430-Y460 HydrophobicContact CG2-CE2 3.46Å; T430-Y460 VanDerWaalsContact CG2-CE2 3.46Å
431	C	91.3	Very high	94.2	Very high	51 Å²	51	41.5 Å²	41.5	35%	0.345	26%	0.255	S	S	.	.			trans	-93.7	157.3	171.5	-160	0	0	0	0	111.5	E435 Y460	C431-E435 HydrophobicContact CB-CG 4.22Å; C431-E435 WeakPolarHBondContact CB-OE1 3.43Å; C431-E435 PolarHBondContact N-OE1 2.97Å; C431-E435 VanDerWaalsContact N-OE1 3.17Å; C431-Y460 PolarHBondContact N-OH 3.17Å
432	T	89.7	Confident	94.5	Very high	140 Å²	140	40.3 Å²	40.3	86%	0.859	25%	0.247	S	C	*	.	S	Bend	trans	-76.8	-25.9	167.4	50.3	0	0	0	0	112.5
433	N	92.8	Very high	94.5	Very high	108 Å²	108	39.2 Å²	39.2	58%	0.578	24%	0.244	S	C	*	.	S	Bend	trans	-89.8	153.2	-178.4	-58.1	-3.3	0	0	0	109.6	E435 S487	N433-E435 PolarHBondContact O-N 3.16Å; N433-S487 PolarHBondContact O-OG 2.89Å
434	T	96.3	Very high	94.6	Very high	45 Å²	45	37.5 Å²	37.5	28%	0.276	24%	0.236	S	C	.	.			trans	-58.2	124.5	175.8	-46.9	0	0	0	0	110.4	L482 G485 S487 V512	T434-L482 HydrophobicContact CG2-CD2 3.71Å; T434-G485 WeakPolarHBondContact CG2-O 3.2Å; T434-G485 PolarHBondContact OG1-O 2.91Å; T434-S487 WeakPolarHBondContact CA-OG 3.43Å; T434-V512 HydrophobicContact CG2-CG1 4.06Å; T434-V512 WeakPolarHBondContact O-CB 3.46Å; T434-V512 WeakPolarHBondContact O-CG1 3.34Å
435	E	97.8	Very high	94.7	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	166.9	-178.5	71.7	169	159.9	0	0	113.2	C431 N433 I437 Y460 S487 V488 S513 R515	C431-E435 HydrophobicContact CB-CG 4.22Å; C431-E435 WeakPolarHBondContact CB-OE1 3.43Å; C431-E435 PolarHBondContact N-OE1 2.97Å; C431-E435 VanDerWaalsContact N-OE1 3.17Å; N433-E435 PolarHBondContact O-N 3.16Å; E435-I437 HydrophobicContact CG-CG1 4.34Å; E435-Y460 HydrophobicContact CG-CE1 3.89Å; E435-Y460 PolarHBondContact OE1-OH 3.4Å; E435-S487 PolarHBondContact N-OG 3.06Å; E435-S487 VanDerWaalsContact N-OG 3.12Å; E435-S487 CarbonylContact O-C 3.57Å; E435-S487 WeakPolarHBondContact O-CA 3.32Å; E435-S487 WeakPolarHBondContact O-CB 3.46Å; E435-V488 PolarHBondContact O-N 3.02Å; E435-S513 WeakPolarHBondContact CA-O 3.28Å; E435-S513 WeakPolarHBondContact CB-OG 3.36Å; E435-R515 IonicContact OE1-CZ 3.67Å; E435-R515 IonicContact OE1-NE 3.69Å; E435-R515 IonicContact OE1-NH2 3.76Å; E435-R515 PolarHBondContact OE1-NH2 3.35Å; E435-R515 IonicContact OE2-CZ 3.62Å; E435-R515 IonicContact OE2-NE 3.48Å; E435-R515 PolarHBondContact OE2-NE 3.09Å; E435-R515 IonicContact OE2-NH2 2.78Å; E435-R515 PolarHBondContact OE2-NH2 3.26Å
436	V	98.4	Very high	94.9	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	124.8	167.7	-177	0	0	0	0	109.9	V438 L482 V488 V490 A507 V512 S513 C514 R515	V436-V438 HydrophobicContact CG1-CG2 4.05Å; V436-L482 HydrophobicContact CG2-CD1 3.76Å; V436-L482 HydrophobicContact CG2-CD2 4.01Å; V436-L482 HydrophobicContact CG2-CG 4.36Å; V436-V488 HydrophobicContact CG2-CB 4.47Å; V436-V490 HydrophobicContact CG1-CG2 4.12Å; V436-A507 HydrophobicContact CB-CB 4.25Å; V436-A507 HydrophobicContact CG2-CB 3.9Å; V436-V512 HydrophobicContact CG2-CG2 4.21Å; V436-S513 PolarHBondContact N-O 3.44Å; V436-C514 CarbonylContact O-C 3.5Å; V436-C514 VanDerWaalsContact O-CA 3.28Å; V436-C514 WeakPolarHBondContact O-CA 3.5Å; V436-R515 PolarHBondContact O-N 3.02Å
437	I	98.4	Very high	95.2	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	119.7	170	-58.6	172.2	0	0	0	108.8	E435 F451 V455 Y460 V488 V490 R515 F517	E435-I437 HydrophobicContact CG-CG1 4.34Å; I437-F451 HydrophobicContact CG2-CE1 3.83Å; I437-F451 HydrophobicContact CG2-CZ 4.18Å; I437-V455 HydrophobicContact CD1-CG1 4.08Å; I437-Y460 HydrophobicContact CD1-CD1 4.11Å; I437-Y460 HydrophobicContact CD1-CE1 3.42Å; I437-Y460 VanDerWaalsContact CD1-CE1 3.42Å; I437-Y460 HydrophobicContact CG1-CE1 4Å; I437-V488 PolarHBondContact N-O 3.04Å; I437-V490 PolarHBondContact O-N 3.41Å; I437-R515 WeakPolarHBondContact CA-O 3.03Å; I437-F517 HydrophobicContact CD1-CE1 4.24Å; I437-F517 HydrophobicContact CD1-CE2 4.22Å; I437-F517 HydrophobicContact CD1-CZ 3.77Å; I437-F517 HydrophobicContact CG1-CE1 4.43Å; I437-F517 HydrophobicContact CG1-CZ 4.43Å; I437-F517 HydrophobicContact CG2-CB 4.2Å; I437-F517 HydrophobicContact CG2-CD1 3.55Å; I437-F517 HydrophobicContact CG2-CD2 3.74Å; I437-F517 HydrophobicContact CG2-CE1 3.71Å; I437-F517 HydrophobicContact CG2-CE2 3.91Å; I437-F517 HydrophobicContact CG2-CG 3.55Å; I437-F517 HydrophobicContact CG2-CZ 3.9Å
438	V	98.4	Very high	95.3	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	116.2	178.2	-177.4	0	0	0	0	109.8	V436 N494 R500 Y503 R515 C516 F517 F566	V436-V438 HydrophobicContact CG1-CG2 4.05Å; V438-N494 HydrophobicContact CG1-CB 4.37Å; V438-N494 WeakPolarHBondContact CG1-ND2 3.23Å; V438-R500 HydrophobicContact CG1-CG 4.46Å; V438-Y503 HydrophobicContact CG1-CD2 4.47Å; V438-Y503 HydrophobicContact CG2-CG 4.45Å; V438-R515 PolarHBondContact N-O 3.44Å; V438-C516 WeakPolarHBondContact O-CA 3.43Å; V438-F517 PolarHBondContact O-N 3.11Å; V438-F566 HydrophobicContact CB-CE1 3.94Å; V438-F566 HydrophobicContact CB-CZ 4.32Å; V438-F566 HydrophobicContact CG1-CZ 4.48Å; V438-F566 HydrophobicContact CG2-CE1 3.99Å
439	A	98.3	Very high	95.3	Very high	0 Å²	0	29 Å²	29	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	138.8	172.7	0	0	0	0	0	111.1	K447 F451 V490 N494 F519	A439-K447 HydrophobicContact CB-CD 4.14Å; A439-F451 HydrophobicContact CB-CE2 3.46Å; A439-F451 VanDerWaalsContact CB-CE2 3.46Å; A439-F451 HydrophobicContact CB-CZ 3.73Å; A439-V490 WeakPolarHBondContact CB-O 3.26Å; A439-V490 PolarHBondContact N-O 3.2Å; A439-N494 WeakPolarHBondContact O-CB 3.35Å; A439-N494 PolarHBondContact O-ND2 2.89Å; A439-F519 HydrophobicContact CB-CE2 4.43Å
440	V	98.4	Very high	95.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	128.9	169.3	-179.9	0	0	0	0	108.2	N494 R500 C516 F517 L518 F519 F557 P560	V440-N494 HydrophobicContact CG2-CB 4.27Å; V440-R500 HydrophobicContact CG2-CG 4.36Å; V440-C516 WeakPolarHBondContact CG2-SG 3.49Å; V440-F517 PolarHBondContact N-O 3Å; V440-L518 HydrophobicContact CB-CD1 4.08Å; V440-L518 HydrophobicContact CG1-CD1 3.77Å; V440-F519 PolarHBondContact O-N 3.46Å; V440-F557 HydrophobicContact CG1-CE2 3.93Å; V440-P560 HydrophobicContact CG1-CG 4.49Å
441	G	97.6	Very high	95.5	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.164	C	C	.	.	S	Bend	trans	156.6	162.2	179	0	0	0	0	0	113.5	K447 T493 Y553	G441-K447 PolarHBondContact O-NZ 3.27Å; G441-T493 PolarHBondContact N-O 3.05Å; G441-Y553 VanDerWaalsContact C-CE2 3.42Å; G441-Y553 WeakPolarHBondContact CA-OH 3.27Å; G441-Y553 PolarHBondContact N-OH 2.95Å; G441-Y553 VanDerWaalsContact O-CE2 3.3Å; G441-Y553 WeakPolarHBondContact O-CE2 3.1Å
442	Y	97.5	Very high	95.7	Very high	28 Å²	28	29.1 Å²	29.1	11%	0.11	17%	0.169	C	C	.	.			trans	-49.8	151.1	-179.6	-77.9	-89.1	0	0	0	112.6	A445 K447 A521 L523 A526 F550 Y553 K554	Y442-A445 WeakPolarHBondContact O-CB 3.26Å; Y442-A445 PolarHBondContact O-N 2.92Å; Y442-K447 PolarHBondContact O-NZ 3.46Å; Y442-K447 VanDerWaalsContact O-NZ 3.13Å; Y442-A521 VanDerWaalsContact CD2-O 3.24Å; Y442-A521 WeakPolarHBondContact CD2-O 3.23Å; Y442-L523 HydrophobicContact CD1-CD1 4.29Å; Y442-L523 HydrophobicContact CE1-CB 4.17Å; Y442-L523 HydrophobicContact CE1-CD1 3.73Å; Y442-A526 HydrophobicContact CG-CB 4.24Å; Y442-F550 HydrophobicContact CD1-CD1 4.07Å; Y442-Y553 AromaticContact CD1-CD1 3.33Å; Y442-Y553 HydrophobicContact CD1-CD1 3.33Å; Y442-Y553 AromaticContact CD1-CE1 3.94Å; Y442-Y553 HydrophobicContact CD1-CE1 3.94Å; Y442-Y553 AromaticContact CD1-CG 3.98Å; Y442-Y553 HydrophobicContact CD1-CG 3.98Å; Y442-Y553 HydrophobicContact CD2-CD1 4.01Å; Y442-Y553 AromaticContact CD2-CE1 3.73Å; Y442-Y553 HydrophobicContact CD2-CE1 3.73Å; Y442-Y553 AromaticContact CE1-CD1 3.41Å; Y442-Y553 HydrophobicContact CE1-CD1 3.41Å; Y442-Y553 VanDerWaalsContact CE1-CD1 3.41Å; Y442-Y553 HydrophobicContact CE1-CE1 4.06Å; Y442-Y553 HydrophobicContact CE1-CG 4.32Å; Y442-Y553 HydrophobicContact CE2-CD1 4.07Å; Y442-Y553 AromaticContact CE2-CE1 3.85Å; Y442-Y553 HydrophobicContact CE2-CE1 3.85Å; Y442-Y553 AromaticContact CG-CD1 3.65Å; Y442-Y553 HydrophobicContact CG-CD1 3.65Å; Y442-Y553 AromaticContact CG-CE1 3.77Å; Y442-Y553 HydrophobicContact CG-CE1 3.77Å; Y442-Y553 HydrophobicContact CG-CG 4.39Å; Y442-Y553 AromaticContact CZ-CD1 3.78Å; Y442-K554 HydrophobicContact CE1-CB 4.12Å
443	P	95.3	Very high	95.8	Very high	16 Å²	16	26.5 Å²	26.5	10%	0.104	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	150.3	163.1	30.4	-37.4	0	0	0	109.7	A445 T493 V545 V549 F550	P443-A445 PolarHBondContact O-N 2.8Å; P443-T493 HydrophobicContact CB-CG2 4.34Å; P443-V545 HydrophobicContact CB-CG1 3.79Å; P443-V545 HydrophobicContact CB-CG2 4.24Å; P443-V545 HydrophobicContact CG-CG1 3.76Å; P443-V549 HydrophobicContact CG-CG1 4.12Å; P443-F550 HydrophobicContact CG-CD1 3.88Å; P443-F550 HydrophobicContact CG-CE1 4Å; P443-F550 HydrophobicContact CG-CG 4.26Å; P443-F550 VanDerWaalsContact O-CE1 3.28Å; P443-F550 WeakPolarHBondContact O-CE1 3.26Å
444	A	93.9	Very high	95.9	Very high	13 Å²	13	24.5 Å²	24.5	11%	0.107	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	7.3	-174.3	0	0	0	0	0	117.4	G446 N529 N530 V545 F550	A444-G446 PolarHBondContact O-N 2.95Å; A444-N529 PolarHBondContact O-ND2 3.07Å; A444-N530 HydrophobicContact CB-CB 3.66Å; A444-V545 HydrophobicContact CB-CG2 4.14Å; A444-F550 HydrophobicContact CB-CZ 4.31Å
445	A	94.9	Very high	95.9	Very high	5 Å²	5	22.3 Å²	22.3	4%	0.041	13%	0.127	C	C	.	.	S	Bend	trans	-68	12.6	175.8	0	0	0	0	0	116	Y442 P443 K447 A521	Y442-A445 WeakPolarHBondContact O-CB 3.26Å; Y442-A445 PolarHBondContact O-N 2.92Å; P443-A445 PolarHBondContact O-N 2.8Å; A445-K447 HydrophobicContact CB-CG 4.25Å; A445-A521 HydrophobicContact CB-CB 3.79Å
446	G	93.3	Very high	95.9	Very high	16 Å²	16	24.2 Å²	24.2	17%	0.165	14%	0.138	C	C	.	.	S	Bend	trans	87.6	-7.1	-177.9	0	0	0	0	0	115.7	A444 S448 T449 F450	A444-G446 PolarHBondContact O-N 2.95Å; G446-S448 PolarHBondContact O-N 3.05Å; G446-T449 WeakPolarHBondContact O-CA 3.42Å; G446-T449 VanDerWaalsContact O-CB 3.29Å; G446-T449 WeakPolarHBondContact O-CB 3.49Å; G446-T449 PolarHBondContact O-N 2.83Å; G446-F450 PolarHBondContact O-N 2.94Å
447	K	95.1	Very high	95.8	Very high	12 Å²	12	28.4 Å²	28.4	5%	0.052	17%	0.165	C	C	.	.	H	α-helix	trans	-45.7	-58.1	-173.2	-48.7	-154.2	-56.4	-74.7	0	114.8	A439 G441 Y442 A445 T449 F450 F451 D491 N492 F519	A439-K447 HydrophobicContact CB-CD 4.14Å; G441-K447 PolarHBondContact O-NZ 3.27Å; Y442-K447 PolarHBondContact O-NZ 3.46Å; Y442-K447 VanDerWaalsContact O-NZ 3.13Å; A445-K447 HydrophobicContact CB-CG 4.25Å; K447-T449 VanDerWaalsContact C-N 3.27Å; K447-T449 PolarHBondContact O-N 3.38Å; K447-F450 WeakPolarHBondContact O-CB 3.44Å; K447-F450 PolarHBondContact O-N 3.03Å; K447-F451 HydrophobicContact CB-CE2 4.5Å; K447-F451 WeakPolarHBondContact O-CD2 3.38Å; K447-F451 PolarHBondContact O-N 2.84Å; K447-D491 WeakPolarHBondContact CB-OD1 3.18Å; K447-D491 WeakPolarHBondContact CE-OD1 3.44Å; K447-N492 WeakPolarHBondContact CE-O 3.36Å; K447-F519 HydrophobicContact CB-CD2 4.32Å; K447-F519 HydrophobicContact CB-CE1 4.27Å; K447-F519 HydrophobicContact CB-CE2 4.04Å; K447-F519 HydrophobicContact CB-CZ 4.02Å; K447-F519 HydrophobicContact CD-CB 4.3Å; K447-F519 HydrophobicContact CD-CD2 3.45Å; K447-F519 VanDerWaalsContact CD-CD2 3.45Å; K447-F519 HydrophobicContact CD-CE2 3.88Å; K447-F519 HydrophobicContact CD-CG 3.88Å; K447-F519 HydrophobicContact CG-CB 4.27Å; K447-F519 HydrophobicContact CG-CD1 3.94Å; K447-F519 HydrophobicContact CG-CD2 3.62Å; K447-F519 HydrophobicContact CG-CE1 4.17Å; K447-F519 HydrophobicContact CG-CE2 3.87Å; K447-F519 HydrophobicContact CG-CG 3.66Å; K447-F519 HydrophobicContact CG-CZ 4.14Å
448	S	93.3	Very high	95.7	Very high	37 Å²	37	35.4 Å²	35.4	26%	0.259	20%	0.196	S	C	.	.	H	α-helix	trans	-55.5	-41.2	179.5	-33.1	0	0	0	0	112.5	G446 H452 D491	G446-S448 PolarHBondContact O-N 3.05Å; S448-H452 WeakPolarHBondContact O-CB 3.41Å; S448-H452 PolarHBondContact O-CD2 3.33Å; S448-H452 PolarHBondContact O-N 3.41Å; S448-D491 VanDerWaalsContact CA-OD2 3.28Å; S448-D491 WeakPolarHBondContact CA-OD2 3.21Å; S448-D491 WeakPolarHBondContact CB-OD2 3.33Å; S448-D491 PolarHBondContact N-OD2 2.94Å; S448-D491 PolarHBondContact OG-OD2 3.12Å
449	T	92.7	Very high	95.5	Very high	79 Å²	79	38 Å²	38	49%	0.485	22%	0.223	S	C	.	.	H	α-helix	trans	-63.5	-47.9	176.1	-52.3	0	0	0	0	110.4	G446 K447 F451 H452 T453	G446-T449 WeakPolarHBondContact O-CA 3.42Å; G446-T449 VanDerWaalsContact O-CB 3.29Å; G446-T449 WeakPolarHBondContact O-CB 3.49Å; G446-T449 PolarHBondContact O-N 2.83Å; K447-T449 VanDerWaalsContact C-N 3.27Å; K447-T449 PolarHBondContact O-N 3.38Å; T449-F451 PolarHBondContact O-N 2.98Å; T449-H452 PolarHBondContact O-N 2.87Å; T449-T453 WeakPolarHBondContact O-CB 3.35Å; T449-T453 PolarHBondContact O-N 2.98Å; T449-T453 PolarHBondContact O-OG1 2.93Å; T449-T453 VanDerWaalsContact O-OG1 3.09Å
450	F	95.5	Very high	95.5	Very high	15 Å²	15	38.6 Å²	38.6	7%	0.066	23%	0.225	C	C	.	.	H	α-helix	trans	-57.7	-46	177.8	-174.6	-85.9	0	0	0	112.4	L421 L429 G446 K447 T453 H454 F517 F519 I572	L421-F450 HydrophobicContact CD1-CD2 4.47Å; L421-F450 HydrophobicContact CD1-CE2 4.1Å; L421-F450 HydrophobicContact CD2-CE2 3.94Å; L421-F450 HydrophobicContact CG-CE2 3.93Å; L429-F450 HydrophobicContact CD1-CE1 4.38Å; L429-F450 HydrophobicContact CD1-CZ 3.76Å; L429-F450 HydrophobicContact CD2-CE1 4.25Å; L429-F450 HydrophobicContact CD2-CZ 3.78Å; L429-F450 HydrophobicContact CG-CZ 4.43Å; G446-F450 PolarHBondContact O-N 2.94Å; K447-F450 WeakPolarHBondContact O-CB 3.44Å; K447-F450 PolarHBondContact O-N 3.03Å; F450-T453 PolarHBondContact O-N 3.25Å; F450-H454 AromaticContact CD2-CD2 3.53Å; F450-H454 AromaticContact CE2-CD2 3.64Å; F450-H454 AromaticContact CG-CD2 3.87Å; F450-H454 PolarHBondContact O-CD2 3.23Å; F450-H454 VanDerWaalsContact O-CD2 3.31Å; F450-H454 PolarHBondContact O-N 3.47Å; F450-F517 HydrophobicContact CD1-CD2 4.5Å; F450-F517 AromaticContact CE1-CD2 3.86Å; F450-F517 HydrophobicContact CE1-CD2 3.86Å; F450-F517 AromaticContact CE1-CE2 3.9Å; F450-F517 HydrophobicContact CE1-CE2 3.9Å; F450-F519 HydrophobicContact CB-CE1 3.67Å; F450-F519 HydrophobicContact CB-CZ 3.86Å; F450-F519 HydrophobicContact CD1-CE1 4.13Å; F450-F519 AromaticContact CD1-CZ 3.73Å; F450-F519 HydrophobicContact CD1-CZ 3.73Å; F450-F519 HydrophobicContact CD2-CE1 4.26Å; F450-F519 HydrophobicContact CE1-CZ 4.47Å; F450-F519 AromaticContact CG-CE1 3.77Å; F450-F519 HydrophobicContact CG-CE1 3.77Å; F450-F519 AromaticContact CG-CZ 3.84Å; F450-F519 HydrophobicContact CG-CZ 3.84Å; F450-I572 HydrophobicContact CD2-CG2 3.71Å; F450-I572 HydrophobicContact CE1-CD1 4.2Å; F450-I572 HydrophobicContact CE1-CG1 4.45Å; F450-I572 HydrophobicContact CE1-CG2 4.34Å; F450-I572 HydrophobicContact CE2-CG2 3.43Å; F450-I572 VanDerWaalsContact CE2-CG2 3.43Å; F450-I572 HydrophobicContact CG-CG2 4.27Å; F450-I572 HydrophobicContact CZ-CD1 3.86Å; F450-I572 HydrophobicContact CZ-CG1 4.35Å; F450-I572 HydrophobicContact CZ-CG2 3.79Å
451	F	96.4	Very high	95.5	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-63.6	-45	175.9	-74.2	-71.4	0	0	0	112.2	I437 A439 K447 T449 T453 V455 V456 Y462 A489 D491 F517 F519	I437-F451 HydrophobicContact CG2-CE1 3.83Å; I437-F451 HydrophobicContact CG2-CZ 4.18Å; A439-F451 HydrophobicContact CB-CE2 3.46Å; A439-F451 VanDerWaalsContact CB-CE2 3.46Å; A439-F451 HydrophobicContact CB-CZ 3.73Å; K447-F451 HydrophobicContact CB-CE2 4.5Å; K447-F451 WeakPolarHBondContact O-CD2 3.38Å; K447-F451 PolarHBondContact O-N 2.84Å; T449-F451 PolarHBondContact O-N 2.98Å; F451-T453 VanDerWaalsContact C-N 3.3Å; F451-T453 PolarHBondContact O-N 2.84Å; F451-V455 HydrophobicContact CD1-CB 3.89Å; F451-V455 HydrophobicContact CD1-CG1 4.08Å; F451-V455 HydrophobicContact CD1-CG2 3.89Å; F451-V455 HydrophobicContact CE1-CG2 4.33Å; F451-V455 PolarHBondContact O-N 3.36Å; F451-V456 HydrophobicContact CB-CG2 4.39Å; F451-V456 WeakPolarHBondContact O-CG2 3.38Å; F451-V456 PolarHBondContact O-N 3.39Å; F451-Y462 HydrophobicContact CB-CD2 4.36Å; F451-Y462 HydrophobicContact CB-CE2 4.12Å; F451-A489 HydrophobicContact CD1-CB 3.76Å; F451-A489 HydrophobicContact CE1-CB 4.13Å; F451-D491 HydrophobicContact CD2-CB 3.95Å; F451-D491 HydrophobicContact CE2-CB 4.34Å; F451-F517 HydrophobicContact CE1-CD2 4.01Å; F451-F517 HydrophobicContact CE1-CE2 4.42Å; F451-F517 HydrophobicContact CZ-CB 4.36Å; F451-F517 HydrophobicContact CZ-CD2 4.06Å; F451-F519 AromaticContact CE2-CE2 3.92Å; F451-F519 HydrophobicContact CE2-CE2 3.92Å; F451-F519 HydrophobicContact CE2-CZ 4.02Å; F451-F519 HydrophobicContact CZ-CE2 4.3Å
452	H	94.7	Very high	95.5	Very high	97 Å²	97	42.4 Å²	42.4	45%	0.449	24%	0.242	S	C	.	.	H	α-helix	trans	-66.8	-26.9	177.7	-77.4	-59.5	0	0	0	113.9	S448 T449 P457 Y462	S448-H452 WeakPolarHBondContact O-CB 3.41Å; S448-H452 PolarHBondContact O-CD2 3.33Å; S448-H452 PolarHBondContact O-N 3.41Å; T449-H452 PolarHBondContact O-N 2.87Å; H452-P457 VanDerWaalsContact O-CD 3.28Å; H452-P457 WeakPolarHBondContact O-CD 3.4Å; H452-P457 WeakPolarHBondContact O-CG 3.43Å; H452-Y462 AromaticContact NE2-CE1 3.71Å; H452-Y462 AromaticContact NE2-CE2 3.93Å; H452-Y462 AromaticContact NE2-CZ 3.56Å
453	T	93.8	Very high	95.4	Very high	84 Å²	84	41.1 Å²	41.1	52%	0.515	24%	0.237	S	C	.	.	H	α-helix	trans	-83.8	-43	176.6	-61.2	0	0	0	0	112.8	T449 F450 F451	T449-T453 WeakPolarHBondContact O-CB 3.35Å; T449-T453 PolarHBondContact O-N 2.98Å; T449-T453 PolarHBondContact O-OG1 2.93Å; T449-T453 VanDerWaalsContact O-OG1 3.09Å; F450-T453 PolarHBondContact O-N 3.25Å; F451-T453 VanDerWaalsContact C-N 3.3Å; F451-T453 PolarHBondContact O-N 2.84Å
454	H	94.8	Very high	95.4	Very high	66 Å²	66	40.8 Å²	40.8	31%	0.306	24%	0.235	S	C	.	.	H	α-helix	trans	-110.5	-26.5	-166.6	-57.5	-70.8	0	0	0	115.5	L429 F450	L429-H454 HydrophobicContact CD1-CB 3.8Å; F450-H454 AromaticContact CD2-CD2 3.53Å; F450-H454 AromaticContact CE2-CD2 3.64Å; F450-H454 AromaticContact CG-CD2 3.87Å; F450-H454 PolarHBondContact O-CD2 3.23Å; F450-H454 VanDerWaalsContact O-CD2 3.31Å; F450-H454 PolarHBondContact O-N 3.47Å
455	V	96.3	Very high	95.2	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.7	-51.3	-165.4	-178.9	0	0	0	0	112.3	T430 I437 F451 K458 Y460 A489 F517	T430-V455 HydrophobicContact CG2-CG1 4.39Å; I437-V455 HydrophobicContact CD1-CG1 4.08Å; F451-V455 HydrophobicContact CD1-CB 3.89Å; F451-V455 HydrophobicContact CD1-CG1 4.08Å; F451-V455 HydrophobicContact CD1-CG2 3.89Å; F451-V455 HydrophobicContact CE1-CG2 4.33Å; F451-V455 PolarHBondContact O-N 3.36Å; V455-K458 WeakPolarHBondContact O-CB 3.45Å; V455-K458 PolarHBondContact O-N 2.99Å; V455-Y460 HydrophobicContact CG1-CD1 3.61Å; V455-Y460 HydrophobicContact CG1-CD2 3.86Å; V455-Y460 HydrophobicContact CG1-CE1 4.09Å; V455-Y460 HydrophobicContact CG1-CE2 4.34Å; V455-Y460 HydrophobicContact CG1-CG 3.48Å; V455-Y460 VanDerWaalsContact CG1-CG 3.48Å; V455-Y460 WeakPolarHBondContact O-CD2 3.4Å; V455-A489 HydrophobicContact CG1-CB 4Å; V455-F517 HydrophobicContact CG2-CE2 4.15Å
456	V	96.4	Very high	94.7	Very high	40 Å²	40	52.8 Å²	52.8	24%	0.242	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-59.6	-39	178.4	-180	0	0	0	0	112.5	F451 K458 G459 Y462	F451-V456 HydrophobicContact CB-CG2 4.39Å; F451-V456 WeakPolarHBondContact O-CG2 3.38Å; F451-V456 PolarHBondContact O-N 3.39Å; V456-K458 PolarHBondContact O-N 3.25Å; V456-G459 PolarHBondContact O-N 3.4Å; V456-Y462 HydrophobicContact CG2-CD2 3.77Å; V456-Y462 HydrophobicContact CG2-CG 4.2Å
457	P	96.9	Very high	94.4	Very high	88 Å²	88	57.2 Å²	57.2	57%	0.571	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-64.4	-6.7	174.2	-23.4	36.3	0	0	0	115	H452	H452-P457 VanDerWaalsContact O-CD 3.28Å; H452-P457 WeakPolarHBondContact O-CD 3.4Å; H452-P457 WeakPolarHBondContact O-CG 3.43Å
458	K	95.7	Very high	94.1	Very high	147 Å²	147	59.5 Å²	59.5	64%	0.639	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-98	12.9	172.9	-54.8	-57	-167.6	178.9	0	113	T430 V455 V456 Y460	T430-K458 HydrophobicContact CG2-CB 3.96Å; T430-K458 HydrophobicContact CG2-CG 3.88Å; V455-K458 WeakPolarHBondContact O-CB 3.45Å; V455-K458 PolarHBondContact O-N 2.99Å; V456-K458 PolarHBondContact O-N 3.25Å; K458-Y460 HydrophobicContact CB-CD2 4.21Å; K458-Y460 HydrophobicContact CB-CE2 4.33Å
459	G	95.3	Very high	94	Very high	55 Å²	55	60.4 Å²	60.4	57%	0.567	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.9	3.9	174.8	0	0	0	0	0	115.6	V456	V456-G459 PolarHBondContact O-N 3.4Å
460	Y	97.8	Very high	94	Very high	12 Å²	12	58 Å²	58	5%	0.047	33%	0.326	C	S	.	.			trans	-68	136.3	-179.4	-78.6	-116.1	0	0	0	111.9	T430 C431 E435 I437 V455 K458 Y462 S487 A489	T430-Y460 VanDerWaalsContact CA-OH 3.28Å; T430-Y460 WeakPolarHBondContact CA-OH 3.39Å; T430-Y460 WeakPolarHBondContact CB-OH 3.23Å; T430-Y460 HydrophobicContact CG2-CD2 4.18Å; T430-Y460 HydrophobicContact CG2-CE2 3.46Å; T430-Y460 VanDerWaalsContact CG2-CE2 3.46Å; C431-Y460 PolarHBondContact N-OH 3.17Å; E435-Y460 HydrophobicContact CG-CE1 3.89Å; E435-Y460 PolarHBondContact OE1-OH 3.4Å; I437-Y460 HydrophobicContact CD1-CD1 4.11Å; I437-Y460 HydrophobicContact CD1-CE1 3.42Å; I437-Y460 VanDerWaalsContact CD1-CE1 3.42Å; I437-Y460 HydrophobicContact CG1-CE1 4Å; V455-Y460 HydrophobicContact CG1-CD1 3.61Å; V455-Y460 HydrophobicContact CG1-CD2 3.86Å; V455-Y460 HydrophobicContact CG1-CE1 4.09Å; V455-Y460 HydrophobicContact CG1-CE2 4.34Å; V455-Y460 HydrophobicContact CG1-CG 3.48Å; V455-Y460 VanDerWaalsContact CG1-CG 3.48Å; V455-Y460 WeakPolarHBondContact O-CD2 3.4Å; K458-Y460 HydrophobicContact CB-CD2 4.21Å; K458-Y460 HydrophobicContact CB-CE2 4.33Å; Y460-Y462 PolarHBondContact O-N 3.39Å; Y460-S487 CarbonylContact C-O 3.58Å; Y460-S487 WeakPolarHBondContact CA-O 3.25Å; Y460-S487 VanDerWaalsContact CE1-CB 3.41Å; Y460-A489 HydrophobicContact CD1-CB 4.35Å
461	V	97.4	Very high	93.8	Very high	21 Å²	21	61.5 Å²	61.5	13%	0.127	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	112	174.9	-167.3	0	0	0	0	109.5	V463 A481 R486 S487 A489	V461-V463 PolarHBondContact O-N 2.97Å; V461-A481 HydrophobicContact CB-CB 3.87Å; V461-A481 HydrophobicContact CG1-CB 4.02Å; V461-A481 HydrophobicContact CG2-CB 3.6Å; V461-R486 HydrophobicContact CG2-CB 3.69Å; V461-R486 VanDerWaalsContact CG2-CZ 3.48Å; V461-R486 VanDerWaalsContact CG2-NH1 3.34Å; V461-S487 PolarHBondContact N-O 2.79Å; V461-A489 PolarHBondContact O-N 3.3Å
462	Y	97.8	Very high	93.8	Very high	59 Å²	59	65.9 Å²	65.9	23%	0.231	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	118.4	178.1	-173.7	-106.7	0	0	0	111.1	F451 H452 V456 Y460 N464 D491	F451-Y462 HydrophobicContact CB-CD2 4.36Å; F451-Y462 HydrophobicContact CB-CE2 4.12Å; H452-Y462 AromaticContact NE2-CE1 3.71Å; H452-Y462 AromaticContact NE2-CE2 3.93Å; H452-Y462 AromaticContact NE2-CZ 3.56Å; V456-Y462 HydrophobicContact CG2-CD2 3.77Å; V456-Y462 HydrophobicContact CG2-CG 4.2Å; Y460-Y462 PolarHBondContact O-N 3.39Å; Y462-N464 HydrophobicContact CD1-CB 4.29Å; Y462-N464 HydrophobicContact CE1-CB 3.6Å; Y462-N464 PolarHBondContact OH-ND2 3.48Å; Y462-N464 VanDerWaalsContact OH-ND2 3.09Å; Y462-D491 HydrophobicContact CE2-CB 3.67Å; Y462-D491 PolarHBondContact OH-OD2 2.97Å; Y462-D491 VanDerWaalsContact OH-OD2 3.08Å
463	V	96.6	Very high	93.9	Very high	1 Å²	1	65.4 Å²	65.4	1%	0.006	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	115.9	179.6	172.1	0	0	0	0	108.6	V461 L468 C474 A477 V488 A489 V490 D491	V461-V463 PolarHBondContact O-N 2.97Å; V463-L468 HydrophobicContact CG1-CD1 3.97Å; V463-C474 HydrophobicContact CG1-CB 3.68Å; V463-C474 WeakPolarHBondContact CG1-O 3.12Å; V463-A477 HydrophobicContact CG2-CB 4.08Å; V463-V488 HydrophobicContact CB-CG1 4.16Å; V463-V488 HydrophobicContact CG2-CG1 3.59Å; V463-A489 PolarHBondContact N-O 3.34Å; V463-V490 HydrophobicContact CB-CG2 4.41Å; V463-V490 CarbonylContact O-C 3.58Å; V463-V490 WeakPolarHBondContact O-CA 3.31Å; V463-D491 PolarHBondContact O-N 3.1Å
464	N	94.2	Very high	94	Very high	10 Å²	10	61.4 Å²	61.4	5%	0.053	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	137	-177.4	178.8	-52.3	0	0	0	109.4	Y462 D466 T467 L468 D491	Y462-N464 HydrophobicContact CD1-CB 4.29Å; Y462-N464 HydrophobicContact CE1-CB 3.6Å; Y462-N464 PolarHBondContact OH-ND2 3.48Å; Y462-N464 VanDerWaalsContact OH-ND2 3.09Å; N464-D466 WeakPolarHBondContact OD1-CB 3.29Å; N464-D466 PolarHBondContact OD1-N 3.5Å; N464-T467 PolarHBondContact O-OG1 3.01Å; N464-T467 VanDerWaalsContact O-OG1 3.08Å; N464-L468 WeakPolarHBondContact O-CB 3.42Å; N464-L468 WeakPolarHBondContact O-CG 3.25Å; N464-L468 PolarHBondContact O-N 3.18Å; N464-L468 VanDerWaalsContact O-N 3.13Å; N464-D491 VanDerWaalsContact CG-O 3.31Å; N464-D491 PolarHBondContact ND2-O 3.43Å; N464-D491 PolarHBondContact ND2-OD2 2.99Å; N464-D491 VanDerWaalsContact ND2-OD2 3.07Å
465	R	90.1	Very high	94.1	Very high	117 Å²	117	59.1 Å²	59.1	44%	0.442	33%	0.326	S	S	.	.	H	α-helix	trans	-75.4	-25.1	-175.6	-176.5	175.3	171.8	-173.7	-3.7	113.8	T467 L468 G469 C474 N492	R465-T467 PolarHBondContact O-N 3.27Å; R465-L468 PolarHBondContact O-N 3.43Å; R465-G469 VanDerWaalsContact O-CA 3.27Å; R465-G469 WeakPolarHBondContact O-CA 3.41Å; R465-G469 PolarHBondContact O-N 3.01Å; R465-C474 VanDerWaalsContact CA-SG 3.54Å; R465-N492 WeakPolarHBondContact CB-OD1 3.18Å; R465-N492 PolarHBondContact N-OD1 3.44Å
466	D	84.8	Confident	94.1	Very high	152 Å²	152	62.2 Å²	62.2	81%	0.813	35%	0.347	S	S	*	.	H	α-helix	trans	-69.9	-24.4	179	-61.8	-21.7	0	0	0	111.3	N464	N464-D466 WeakPolarHBondContact OD1-CB 3.29Å; N464-D466 PolarHBondContact OD1-N 3.5Å
467	T	86.8	Confident	94.1	Very high	110 Å²	110	61 Å²	61	68%	0.675	34%	0.341	S	S	*	.	H	α-helix	trans	-94.4	-32.6	172.4	58.1	0	0	0	0	113.6	N464 R465	N464-T467 PolarHBondContact O-OG1 3.01Å; N464-T467 VanDerWaalsContact O-OG1 3.08Å; R465-T467 PolarHBondContact O-N 3.27Å
468	L	89.6	Confident	94.1	Very high	59 Å²	59	56.8 Å²	56.8	31%	0.309	31%	0.314	S	S	.	.	H	α-helix	trans	-92	-7.7	-179.1	-63.2	175	0	0	0	114.3	V463 N464 R465 S470 N473 A477	V463-L468 HydrophobicContact CG1-CD1 3.97Å; N464-L468 WeakPolarHBondContact O-CB 3.42Å; N464-L468 WeakPolarHBondContact O-CG 3.25Å; N464-L468 PolarHBondContact O-N 3.18Å; N464-L468 VanDerWaalsContact O-N 3.13Å; R465-L468 PolarHBondContact O-N 3.43Å; L468-S470 VanDerWaalsContact C-N 3.25Å; L468-S470 PolarHBondContact O-N 3Å; L468-N473 HydrophobicContact CB-CB 4.03Å; L468-N473 WeakPolarHBondContact O-CB 3.16Å; L468-N473 PolarHBondContact O-ND2 2.87Å; L468-A477 HydrophobicContact CD1-CB 3.91Å
469	G	90.8	Very high	94.2	Very high	56 Å²	56	53.2 Å²	53.2	58%	0.577	30%	0.3	S	S	*	.			trans	74.9	-54.8	177.3	0	0	0	0	0	115.3	R465	R465-G469 VanDerWaalsContact O-CA 3.27Å; R465-G469 WeakPolarHBondContact O-CA 3.41Å; R465-G469 PolarHBondContact O-N 3.01Å
470	S	92.3	Very high	94.3	Very high	30 Å²	30	56.7 Å²	56.7	21%	0.21	30%	0.296	C	S	.	.	S	Bend	trans	-109.4	157.9	-175.1	88.9	0	0	0	0	112.3	L468 Q472 N473 C474	L468-S470 VanDerWaalsContact C-N 3.25Å; L468-S470 PolarHBondContact O-N 3Å; S470-Q472 VanDerWaalsContact C-N 3.32Å; S470-Q472 PolarHBondContact OG-N 3.27Å; S470-Q472 PolarHBondContact OG-OE1 3.3Å; S470-N473 WeakPolarHBondContact OG-CB 3.2Å; S470-N473 PolarHBondContact OG-N 3.43Å; S470-N473 PolarHBondContact OG-ND2 2.9Å; S470-N473 PolarHBondContact OG-OD1 2.8Å; S470-C474 PolarHBondContact O-N 2.85Å; S470-C474 PolarHBondContact O-SG 2.94Å
471	W	92.1	Very high	94.2	Very high	88 Å²	88	56.1 Å²	56.1	33%	0.333	29%	0.294	S	S	.	.	H	α-helix	trans	-74.2	-29.2	173.9	69.7	-100.6	0	0	0	111.2	N473 C474 V475 R502	W471-N473 VanDerWaalsContact C-N 3.35Å; W471-C474 WeakPolarHBondContact O-CB 3.29Å; W471-C474 PolarHBondContact O-N 2.91Å; W471-V475 HydrophobicContact CE3-CG2 3.99Å; W471-V475 HydrophobicContact CZ3-CG2 4.18Å; W471-V475 PolarHBondContact O-N 3.24Å; W471-R502 VanDerWaalsContact CD2-NH1 3.32Å; W471-R502 HydrophobicContact CE3-CG 4.49Å; W471-R502 HydrophobicContact CZ3-CG 4.37Å
472	Q	95.8	Very high	94.2	Very high	92 Å²	92	56 Å²	56	43%	0.43	29%	0.292	S	S	.	.	H	α-helix	trans	-62.2	-43.8	174.2	-60.8	89.6	-28.3	0	0	110.6	S470 C474 V475 S476	S470-Q472 VanDerWaalsContact C-N 3.32Å; S470-Q472 PolarHBondContact OG-N 3.27Å; S470-Q472 PolarHBondContact OG-OE1 3.3Å; Q472-C474 VanDerWaalsContact C-N 3.27Å; Q472-C474 PolarHBondContact O-N 3.32Å; Q472-V475 WeakPolarHBondContact O-CB 3.47Å; Q472-V475 PolarHBondContact O-N 2.66Å; Q472-V475 VanDerWaalsContact O-N 3.14Å; Q472-S476 PolarHBondContact O-N 3.48Å; Q472-S476 PolarHBondContact O-OG 2.74Å
473	N	96	Very high	94.2	Very high	87 Å²	87	61.2 Å²	61.2	47%	0.465	32%	0.316	S	S	.	.	H	α-helix	trans	-63.8	-33.6	176.2	-64.8	3.9	0	0	0	111.4	L468 S470 W471 A477	L468-N473 HydrophobicContact CB-CB 4.03Å; L468-N473 WeakPolarHBondContact O-CB 3.16Å; L468-N473 PolarHBondContact O-ND2 2.87Å; S470-N473 WeakPolarHBondContact OG-CB 3.2Å; S470-N473 PolarHBondContact OG-N 3.43Å; S470-N473 PolarHBondContact OG-ND2 2.9Å; S470-N473 PolarHBondContact OG-OD1 2.8Å; W471-N473 VanDerWaalsContact C-N 3.35Å; N473-A477 WeakPolarHBondContact O-CB 3.38Å; N473-A477 PolarHBondContact O-N 2.85Å
474	C	96.1	Very high	94.1	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-66.8	-43	172.9	-60.3	0	0	0	0	112	V463 R465 S470 W471 Q472 A477 C478 Y503	V463-C474 HydrophobicContact CG1-CB 3.68Å; V463-C474 WeakPolarHBondContact CG1-O 3.12Å; R465-C474 VanDerWaalsContact CA-SG 3.54Å; S470-C474 PolarHBondContact O-N 2.85Å; S470-C474 PolarHBondContact O-SG 2.94Å; W471-C474 WeakPolarHBondContact O-CB 3.29Å; W471-C474 PolarHBondContact O-N 2.91Å; Q472-C474 VanDerWaalsContact C-N 3.27Å; Q472-C474 PolarHBondContact O-N 3.32Å; C474-A477 PolarHBondContact O-N 3.34Å; C474-C478 WeakPolarHBondContact O-CB 3.37Å; C474-C478 PolarHBondContact O-N 3.25Å; C474-Y503 HydrophobicContact CB-CE1 4.13Å; C474-Y503 WeakPolarHBondContact CB-OH 3.46Å
475	V	96.6	Very high	94.2	Very high	17 Å²	17	67.1 Å²	67.1	10%	0.103	36%	0.355	C	S	.	.	H	α-helix	trans	-61.2	-53.7	175.7	162.8	0	0	0	0	110.7	W471 Q472 A477 C478 E479 R502 Y503 V506	W471-V475 HydrophobicContact CE3-CG2 3.99Å; W471-V475 HydrophobicContact CZ3-CG2 4.18Å; W471-V475 PolarHBondContact O-N 3.24Å; Q472-V475 WeakPolarHBondContact O-CB 3.47Å; Q472-V475 PolarHBondContact O-N 2.66Å; Q472-V475 VanDerWaalsContact O-N 3.14Å; V475-A477 VanDerWaalsContact C-N 3.3Å; V475-A477 PolarHBondContact O-N 3.01Å; V475-C478 WeakPolarHBondContact O-CA 3.49Å; V475-C478 WeakPolarHBondContact O-CB 3.48Å; V475-C478 PolarHBondContact O-N 3.3Å; V475-E479 HydrophobicContact CG1-CG 4.44Å; V475-E479 WeakPolarHBondContact O-CG 3.5Å; V475-E479 PolarHBondContact O-N 3.01Å; V475-R502 HydrophobicContact CG2-CB 4.15Å; V475-Y503 HydrophobicContact CG2-CE1 4.26Å; V475-V506 HydrophobicContact CG1-CG2 3.89Å
476	S	96.6	Very high	94.5	Very high	65 Å²	65	66.2 Å²	66.2	46%	0.455	35%	0.351	S	S	.	.	H	α-helix	trans	-65.9	-29.1	179.7	-56.7	0	0	0	0	113.6	Q472 R480	Q472-S476 PolarHBondContact O-N 3.48Å; Q472-S476 PolarHBondContact O-OG 2.74Å; S476-R480 VanDerWaalsContact O-CB 3.29Å; S476-R480 WeakPolarHBondContact O-CB 3.28Å; S476-R480 PolarHBondContact O-N 3.14Å; S476-R480 VanDerWaalsContact O-N 3.07Å
477	A	96.9	Very high	95.1	Very high	14 Å²	14	59.8 Å²	59.8	12%	0.116	32%	0.318	C	S	.	.	H	α-helix	trans	-67.8	-39.2	170.8	0	0	0	0	0	112.2	V463 L468 N473 C474 V475 A481	V463-A477 HydrophobicContact CG2-CB 4.08Å; L468-A477 HydrophobicContact CD1-CB 3.91Å; N473-A477 WeakPolarHBondContact O-CB 3.38Å; N473-A477 PolarHBondContact O-N 2.85Å; C474-A477 PolarHBondContact O-N 3.34Å; V475-A477 VanDerWaalsContact C-N 3.3Å; V475-A477 PolarHBondContact O-N 3.01Å; A477-A481 WeakPolarHBondContact O-CB 3.36Å; A477-A481 PolarHBondContact O-N 3.43Å; A477-A481 VanDerWaalsContact O-N 3.08Å
478	C	97.2	Very high	95.7	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-65.2	-51.6	174.2	-171.5	0	0	0	0	111.3	C474 V475 R480 A481 L482 V488 V506	C474-C478 WeakPolarHBondContact O-CB 3.37Å; C474-C478 PolarHBondContact O-N 3.25Å; V475-C478 WeakPolarHBondContact O-CA 3.49Å; V475-C478 WeakPolarHBondContact O-CB 3.48Å; V475-C478 PolarHBondContact O-N 3.3Å; C478-R480 VanDerWaalsContact C-N 3.29Å; C478-R480 PolarHBondContact O-N 3.48Å; C478-A481 PolarHBondContact O-N 3.16Å; C478-A481 VanDerWaalsContact O-N 3.16Å; C478-L482 WeakPolarHBondContact O-CG 3.46Å; C478-L482 PolarHBondContact O-N 3.16Å; C478-V488 HydrophobicContact CB-CG1 4.22Å; C478-V506 HydrophobicContact CB-CG1 4.26Å
479	E	97.3	Very high	96.1	Very high	73 Å²	73	51.8 Å²	51.8	34%	0.341	27%	0.272	S	S	.	.	H	α-helix	trans	-54.3	-44	176.9	-70.6	172.6	172.7	0	0	112.6	V475 K483 V506	V475-E479 HydrophobicContact CG1-CG 4.44Å; V475-E479 WeakPolarHBondContact O-CG 3.5Å; V475-E479 PolarHBondContact O-N 3.01Å; E479-K483 VanDerWaalsContact O-CG 3.28Å; E479-K483 WeakPolarHBondContact O-CG 3.38Å; E479-K483 PolarHBondContact O-N 3.31Å; E479-V506 HydrophobicContact CG-CG1 3.81Å; E479-V506 HydrophobicContact CG-CG2 3.91Å
480	R	97.3	Very high	96.4	Very high	128 Å²	128	49.1 Å²	49.1	48%	0.483	24%	0.244	S	C	.	.	H	α-helix	trans	-67.2	-43.8	178.8	-177.9	179.3	57.4	76.3	-1.7	111.6	S476 C478 L482 K483 E484	S476-R480 VanDerWaalsContact O-CB 3.29Å; S476-R480 WeakPolarHBondContact O-CB 3.28Å; S476-R480 PolarHBondContact O-N 3.14Å; S476-R480 VanDerWaalsContact O-N 3.07Å; C478-R480 VanDerWaalsContact C-N 3.29Å; C478-R480 PolarHBondContact O-N 3.48Å; R480-L482 VanDerWaalsContact C-N 3.34Å; R480-L482 PolarHBondContact O-N 2.9Å; R480-K483 PolarHBondContact O-N 3.32Å; R480-E484 VanDerWaalsContact CG-OE1 3.26Å; R480-E484 WeakPolarHBondContact CG-OE1 3.43Å; R480-E484 IonicContact CZ-OE1 3.43Å; R480-E484 IonicContact NH1-OE1 3.83Å; R480-E484 PolarHBondContact NH1-OE1 2.84Å; R480-E484 IonicContact NH1-OE2 3.15Å; R480-E484 WeakPolarHBondContact O-CG 3.44Å; R480-E484 PolarHBondContact O-N 3.19Å
481	A	97.1	Very high	96.6	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-60.2	-42.2	177.1	0	0	0	0	0	112.6	V461 A477 C478 E484 G485 R486 V488	V461-A481 HydrophobicContact CB-CB 3.87Å; V461-A481 HydrophobicContact CG1-CB 4.02Å; V461-A481 HydrophobicContact CG2-CB 3.6Å; A477-A481 WeakPolarHBondContact O-CB 3.36Å; A477-A481 PolarHBondContact O-N 3.43Å; A477-A481 VanDerWaalsContact O-N 3.08Å; C478-A481 PolarHBondContact O-N 3.16Å; C478-A481 VanDerWaalsContact O-N 3.16Å; A481-E484 CarbonylContact O-C 3.46Å; A481-E484 WeakPolarHBondContact O-CB 3.5Å; A481-E484 PolarHBondContact O-N 3.02Å; A481-G485 PolarHBondContact O-N 3.09Å; A481-R486 CarbonylContact C-O 3.51Å; A481-R486 PolarHBondContact O-N 2.92Å; A481-V488 HydrophobicContact CB-CG2 3.57Å
482	L	97.1	Very high	96.8	Very high	17 Å²	17	44.5 Å²	44.5	9%	0.089	22%	0.224	C	C	.	.	H	α-helix	trans	-67.3	-37.4	176.5	-64.8	176.1	0	0	0	112.5	T434 V436 C478 R480 E484 G485 V488 V506 A510 V512	T434-L482 HydrophobicContact CG2-CD2 3.71Å; V436-L482 HydrophobicContact CG2-CD1 3.76Å; V436-L482 HydrophobicContact CG2-CD2 4.01Å; V436-L482 HydrophobicContact CG2-CG 4.36Å; C478-L482 WeakPolarHBondContact O-CG 3.46Å; C478-L482 PolarHBondContact O-N 3.16Å; R480-L482 VanDerWaalsContact C-N 3.34Å; R480-L482 PolarHBondContact O-N 2.9Å; L482-E484 PolarHBondContact O-N 3.34Å; L482-G485 WeakPolarHBondContact O-CA 3.36Å; L482-G485 PolarHBondContact O-N 3.43Å; L482-V488 HydrophobicContact CD2-CG2 3.96Å; L482-V488 HydrophobicContact CG-CG2 4.06Å; L482-V506 HydrophobicContact CD1-CG1 3.78Å; L482-A510 HydrophobicContact CB-CB 4.1Å; L482-A510 HydrophobicContact CD1-CB 3.8Å; L482-V512 HydrophobicContact CD1-CG2 4.02Å; L482-V512 HydrophobicContact CD2-CG2 3.98Å
483	K	96.4	Very high	96.7	Very high	170 Å²	170	42.7 Å²	42.7	74%	0.739	22%	0.219	S	C	*	.	H	α-helix	trans	-64.4	-26.8	171.8	-73.6	166.8	-176.4	170.5	0	113	E479 R480 G485	E479-K483 VanDerWaalsContact O-CG 3.28Å; E479-K483 WeakPolarHBondContact O-CG 3.38Å; E479-K483 PolarHBondContact O-N 3.31Å; R480-K483 PolarHBondContact O-N 3.32Å; K483-G485 VanDerWaalsContact C-N 3.26Å
484	E	95.9	Very high	96.8	Very high	92 Å²	92	38.9 Å²	38.9	43%	0.43	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	4.6	170.6	-64.9	165.7	-159.3	0	0	112.6	R480 A481 L482 R486	R480-E484 VanDerWaalsContact CG-OE1 3.26Å; R480-E484 WeakPolarHBondContact CG-OE1 3.43Å; R480-E484 IonicContact CZ-OE1 3.43Å; R480-E484 IonicContact NH1-OE1 3.83Å; R480-E484 PolarHBondContact NH1-OE1 2.84Å; R480-E484 IonicContact NH1-OE2 3.15Å; R480-E484 WeakPolarHBondContact O-CG 3.44Å; R480-E484 PolarHBondContact O-N 3.19Å; A481-E484 CarbonylContact O-C 3.46Å; A481-E484 WeakPolarHBondContact O-CB 3.5Å; A481-E484 PolarHBondContact O-N 3.02Å; L482-E484 PolarHBondContact O-N 3.34Å; E484-R486 VanDerWaalsContact C-N 3.32Å; E484-R486 HydrophobicContact CB-CG 4.19Å; E484-R486 WeakPolarHBondContact O-CG 3.39Å; E484-R486 PolarHBondContact O-N 2.99Å; E484-R486 IonicContact OE2-CZ 3.77Å; E484-R486 IonicContact OE2-NE 2.77Å; E484-R486 PolarHBondContact OE2-NE 3.33Å; E484-R486 IonicContact OE2-NH2 3.48Å; E484-R486 PolarHBondContact OE2-NH2 2.71Å
485	G	95.1	Very high	96.8	Very high	43 Å²	43	39.4 Å²	39.4	44%	0.443	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.9	5.3	-179.9	0	0	0	0	0	115.5	T434 A481 L482 K483	T434-G485 WeakPolarHBondContact CG2-O 3.2Å; T434-G485 PolarHBondContact OG1-O 2.91Å; A481-G485 PolarHBondContact O-N 3.09Å; L482-G485 WeakPolarHBondContact O-CA 3.36Å; L482-G485 PolarHBondContact O-N 3.43Å; K483-G485 VanDerWaalsContact C-N 3.26Å
486	R	97	Very high	96.9	Very high	98 Å²	98	40.1 Å²	40.1	37%	0.37	21%	0.205	S	C	.	.			trans	-98.7	129.9	-168	-52.3	-169.3	-67.7	135.3	-2.8	112.2	V461 A481 E484	V461-R486 HydrophobicContact CG2-CB 3.69Å; V461-R486 VanDerWaalsContact CG2-CZ 3.48Å; V461-R486 VanDerWaalsContact CG2-NH1 3.34Å; A481-R486 CarbonylContact C-O 3.51Å; A481-R486 PolarHBondContact O-N 2.92Å; E484-R486 VanDerWaalsContact C-N 3.32Å; E484-R486 HydrophobicContact CB-CG 4.19Å; E484-R486 WeakPolarHBondContact O-CG 3.39Å; E484-R486 PolarHBondContact O-N 2.99Å; E484-R486 IonicContact OE2-CZ 3.77Å; E484-R486 IonicContact OE2-NE 2.77Å; E484-R486 PolarHBondContact OE2-NE 3.33Å; E484-R486 IonicContact OE2-NH2 3.48Å; E484-R486 PolarHBondContact OE2-NH2 2.71Å
487	S	98.1	Very high	96.9	Very high	17 Å²	17	39.4 Å²	39.4	12%	0.119	20%	0.199	C	C	.	.			trans	-61.1	149.3	175.5	-56.1	0	0	0	0	112.2	N433 T434 E435 Y460 V461	N433-S487 PolarHBondContact O-OG 2.89Å; T434-S487 WeakPolarHBondContact CA-OG 3.43Å; E435-S487 PolarHBondContact N-OG 3.06Å; E435-S487 VanDerWaalsContact N-OG 3.12Å; E435-S487 CarbonylContact O-C 3.57Å; E435-S487 WeakPolarHBondContact O-CA 3.32Å; E435-S487 WeakPolarHBondContact O-CB 3.46Å; Y460-S487 CarbonylContact C-O 3.58Å; Y460-S487 WeakPolarHBondContact CA-O 3.25Å; Y460-S487 VanDerWaalsContact CE1-CB 3.41Å; V461-S487 PolarHBondContact N-O 2.79Å
488	V	98.3	Very high	96.9	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	136.1	-170.8	-171.4	0	0	0	0	111.3	E435 V436 I437 V463 C478 A481 L482 V490	E435-V488 PolarHBondContact O-N 3.02Å; V436-V488 HydrophobicContact CG2-CB 4.47Å; I437-V488 PolarHBondContact N-O 3.04Å; V463-V488 HydrophobicContact CB-CG1 4.16Å; V463-V488 HydrophobicContact CG2-CG1 3.59Å; C478-V488 HydrophobicContact CB-CG1 4.22Å; A481-V488 HydrophobicContact CB-CG2 3.57Å; L482-V488 HydrophobicContact CD2-CG2 3.96Å; L482-V488 HydrophobicContact CG-CG2 4.06Å; V488-V490 HydrophobicContact CG1-CG2 3.99Å
489	A	98.3	Very high	96.9	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	108.8	173.2	0	0	0	0	0	109.9	F451 V455 Y460 V461 V463 D491	F451-A489 HydrophobicContact CD1-CB 3.76Å; F451-A489 HydrophobicContact CE1-CB 4.13Å; V455-A489 HydrophobicContact CG1-CB 4Å; Y460-A489 HydrophobicContact CD1-CB 4.35Å; V461-A489 PolarHBondContact O-N 3.3Å; V463-A489 PolarHBondContact N-O 3.34Å; A489-D491 PolarHBondContact O-N 3.04Å
490	V	98	Very high	96.9	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	88	-176	-174.7	0	0	0	0	110.1	V436 I437 A439 V463 V488 N492 Y503	V436-V490 HydrophobicContact CG1-CG2 4.12Å; I437-V490 PolarHBondContact O-N 3.41Å; A439-V490 WeakPolarHBondContact CB-O 3.26Å; A439-V490 PolarHBondContact N-O 3.2Å; V463-V490 HydrophobicContact CB-CG2 4.41Å; V463-V490 CarbonylContact O-C 3.58Å; V463-V490 WeakPolarHBondContact O-CA 3.31Å; V488-V490 HydrophobicContact CG1-CG2 3.99Å; V490-N492 HydrophobicContact CG1-CB 4.35Å; V490-N492 PolarHBondContact O-N 3.15Å; V490-N492 VanDerWaalsContact O-N 3.1Å; V490-Y503 HydrophobicContact CG1-CD1 4.02Å; V490-Y503 HydrophobicContact CG1-CD2 4.24Å; V490-Y503 HydrophobicContact CG1-CE1 3.65Å; V490-Y503 HydrophobicContact CG1-CE2 3.88Å; V490-Y503 HydrophobicContact CG1-CG 4.3Å; V490-Y503 HydrophobicContact CG2-CD1 3.94Å; V490-Y503 HydrophobicContact CG2-CE1 4.22Å; V490-Y503 HydrophobicContact CG2-CG 4.39Å
491	D	96.3	Very high	97	Very high	5 Å²	5	41.4 Å²	41.4	3%	0.027	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	87.8	171.8	-177.4	38.2	0	0	0	110.6	K447 S448 F451 Y462 V463 N464 A489	K447-D491 WeakPolarHBondContact CB-OD1 3.18Å; K447-D491 WeakPolarHBondContact CE-OD1 3.44Å; S448-D491 VanDerWaalsContact CA-OD2 3.28Å; S448-D491 WeakPolarHBondContact CA-OD2 3.21Å; S448-D491 WeakPolarHBondContact CB-OD2 3.33Å; S448-D491 PolarHBondContact N-OD2 2.94Å; S448-D491 PolarHBondContact OG-OD2 3.12Å; F451-D491 HydrophobicContact CD2-CB 3.95Å; F451-D491 HydrophobicContact CE2-CB 4.34Å; Y462-D491 HydrophobicContact CE2-CB 3.67Å; Y462-D491 PolarHBondContact OH-OD2 2.97Å; Y462-D491 VanDerWaalsContact OH-OD2 3.08Å; V463-D491 PolarHBondContact O-N 3.1Å; N464-D491 VanDerWaalsContact CG-O 3.31Å; N464-D491 PolarHBondContact ND2-O 3.43Å; N464-D491 PolarHBondContact ND2-OD2 2.99Å; N464-D491 VanDerWaalsContact ND2-OD2 3.07Å; A489-D491 PolarHBondContact O-N 3.04Å
492	N	95.1	Very high	97	Very high	16 Å²	16	44.1 Å²	44.1	9%	0.086	22%	0.222	C	C	.	.	S	Bend	trans	-132.2	170.8	169.4	-79.3	-48.7	0	0	0	109	K447 R465 V490 N494 Y503	K447-N492 WeakPolarHBondContact CE-O 3.36Å; R465-N492 WeakPolarHBondContact CB-OD1 3.18Å; R465-N492 PolarHBondContact N-OD1 3.44Å; V490-N492 HydrophobicContact CG1-CB 4.35Å; V490-N492 PolarHBondContact O-N 3.15Å; V490-N492 VanDerWaalsContact O-N 3.1Å; N492-N494 VanDerWaalsContact CB-OD1 3.31Å; N492-N494 WeakPolarHBondContact CB-OD1 3.36Å; N492-Y503 PolarHBondContact ND2-OH 3.13Å; N492-Y503 VanDerWaalsContact ND2-OH 3.17Å
493	T	94.6	Very high	97	Very high	54 Å²	54	43.5 Å²	43.5	33%	0.331	22%	0.219	S	C	.	.			trans	-72.1	-39.9	177.9	45.8	0	0	0	0	113.2	G441 P443 Y553	G441-T493 PolarHBondContact N-O 3.05Å; P443-T493 HydrophobicContact CB-CG2 4.34Å; T493-Y553 HydrophobicContact CG2-CD2 4.2Å; T493-Y553 WeakPolarHBondContact O-CE2 3.41Å
494	N	97.1	Very high	97.1	Very high	8 Å²	8	36.1 Å²	36.1	4%	0.043	19%	0.188	C	C	.	.			trans	43.4	50.6	176.3	-54	-38.2	0	0	0	115.4	V438 A439 V440 N492 D496 R500	V438-N494 HydrophobicContact CG1-CB 4.37Å; V438-N494 WeakPolarHBondContact CG1-ND2 3.23Å; A439-N494 WeakPolarHBondContact O-CB 3.35Å; A439-N494 PolarHBondContact O-ND2 2.89Å; V440-N494 HydrophobicContact CG2-CB 4.27Å; N492-N494 VanDerWaalsContact CB-OD1 3.31Å; N492-N494 WeakPolarHBondContact CB-OD1 3.36Å; N494-D496 PolarHBondContact O-N 3.13Å; N494-R500 HydrophobicContact CB-CG 3.91Å; N494-R500 PolarHBondContact O-NH1 3.22Å; N494-R500 VanDerWaalsContact O-NH1 3.11Å
495	P	97	Very high	97.2	Very high	11 Å²	11	35.1 Å²	35.1	7%	0.071	19%	0.185	C	C	.	.			trans	-66.8	-37	-170.8	24.9	-30.8	0	0	0	113.6	R500 Y553 N556 F557 V558	P495-R500 PolarHBondContact O-NH1 2.94Å; P495-Y553 HydrophobicContact CB-CD2 3.75Å; P495-Y553 HydrophobicContact CB-CE2 3.65Å; P495-Y553 HydrophobicContact CB-CG 4.43Å; P495-Y553 HydrophobicContact CG-CD2 4.2Å; P495-Y553 HydrophobicContact CG-CE2 4.39Å; P495-N556 HydrophobicContact CB-CB 4.23Å; P495-N556 HydrophobicContact CG-CB 4.14Å; P495-F557 HydrophobicContact CB-CB 4.38Å; P495-F557 WeakPolarHBondContact O-CA 3.34Å; P495-V558 PolarHBondContact O-N 2.91Å
496	D	97.7	Very high	97.3	Very high	31 Å²	31	33.7 Å²	33.7	17%	0.166	17%	0.168	C	C	.	.	S	Bend	trans	-106	159.3	-174	52.5	78.4	0	0	0	113	N494 E498 S499 R500	N494-D496 PolarHBondContact O-N 3.13Å; D496-E498 VanDerWaalsContact C-N 3.29Å; D496-E498 PolarHBondContact O-N 3.35Å; D496-E498 PolarHBondContact OD1-N 2.81Å; D496-S499 VanDerWaalsContact CG-OG 3.3Å; D496-S499 PolarHBondContact O-N 3.22Å; D496-S499 WeakPolarHBondContact OD1-CB 3.5Å; D496-S499 PolarHBondContact OD1-N 3.17Å; D496-S499 PolarHBondContact OD1-OG 3.41Å; D496-S499 PolarHBondContact OD2-OG 2.63Å; D496-R500 PolarHBondContact O-N 2.8Å
497	P	98.1	Very high	97.3	Very high	51 Å²	51	29.1 Å²	29.1	33%	0.331	15%	0.151	S	C	.	.	H	α-helix	trans	-66.8	-27.7	-179.5	-19.2	33.3	0	0	0	113.1	R500 K501 V558	P497-R500 PolarHBondContact O-N 3.26Å; P497-K501 VanDerWaalsContact O-CB 3.23Å; P497-K501 WeakPolarHBondContact O-CB 3.19Å; P497-K501 PolarHBondContact O-N 2.72Å; P497-V558 HydrophobicContact CG-CB 4.19Å; P497-V558 HydrophobicContact CG-CG1 4.23Å
498	E	96.9	Very high	97.2	Very high	127 Å²	127	36.5 Å²	36.5	59%	0.593	18%	0.181	S	C	*	.	H	α-helix	trans	-67	-40.9	178.8	-161.1	-140.9	116.2	0	0	111.3	D496 R502	D496-E498 VanDerWaalsContact C-N 3.29Å; D496-E498 PolarHBondContact O-N 3.35Å; D496-E498 PolarHBondContact OD1-N 2.81Å; E498-R502 WeakPolarHBondContact O-CG 3.29Å; E498-R502 PolarHBondContact O-NE 2.8Å; E498-R502 IonicContact OE1-CZ 3.99Å; E498-R502 IonicContact OE1-NE 2.66Å; E498-R502 IonicContact OE1-NH2 2.64Å; E498-R502 PolarHBondContact OE1-NH2 2.84Å
499	S	96.4	Very high	97.2	Very high	21 Å²	21	40.9 Å²	40.9	15%	0.147	22%	0.217	C	C	.	.	H	α-helix	trans	-65.3	-36.9	173.4	-63.9	0	0	0	0	112.3	D496 Y503	D496-S499 VanDerWaalsContact CG-OG 3.3Å; D496-S499 PolarHBondContact O-N 3.22Å; D496-S499 WeakPolarHBondContact OD1-CB 3.5Å; D496-S499 PolarHBondContact OD1-N 3.17Å; D496-S499 PolarHBondContact OD1-OG 3.41Å; D496-S499 PolarHBondContact OD2-OG 2.63Å; S499-Y503 WeakPolarHBondContact O-CD2 3.5Å; S499-Y503 WeakPolarHBondContact O-CE2 3.48Å
500	R	98.1	Very high	97.1	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-73.2	-42.2	177.3	-69.2	-173.2	-63.1	-106.2	17.5	112.4	V438 V440 N494 P495 D496 P497 R502 Y503 L504 V558 E564 F566	V438-R500 HydrophobicContact CG1-CG 4.46Å; V440-R500 HydrophobicContact CG2-CG 4.36Å; N494-R500 HydrophobicContact CB-CG 3.91Å; N494-R500 PolarHBondContact O-NH1 3.22Å; N494-R500 VanDerWaalsContact O-NH1 3.11Å; P495-R500 PolarHBondContact O-NH1 2.94Å; D496-R500 PolarHBondContact O-N 2.8Å; P497-R500 PolarHBondContact O-N 3.26Å; R500-R502 PolarHBondContact O-N 2.76Å; R500-R502 VanDerWaalsContact O-N 3.13Å; R500-Y503 PolarHBondContact O-N 3.07Å; R500-L504 HydrophobicContact CB-CD1 4.29Å; R500-L504 PolarHBondContact O-N 2.83Å; R500-V558 PolarHBondContact NH1-O 3.02Å; R500-V558 PolarHBondContact NH2-O 3.29Å; R500-E564 IonicContact CZ-OE1 2.78Å; R500-E564 IonicContact CZ-OE2 2.83Å; R500-E564 IonicContact NE-OE1 3.68Å; R500-E564 PolarHBondContact NE-OE1 3.21Å; R500-E564 IonicContact NE-OE2 3.66Å; R500-E564 PolarHBondContact NE-OE2 2.86Å; R500-E564 IonicContact NH2-OE1 3.97Å; R500-E564 PolarHBondContact NH2-OE1 3.02Å; R500-E564 IonicContact NH2-OE2 3.67Å; R500-E564 PolarHBondContact NH2-OE2 3.45Å; R500-F566 HydrophobicContact CB-CE2 4.48Å; R500-F566 HydrophobicContact CB-CZ 4.14Å; R500-F566 HydrophobicContact CG-CZ 4.36Å
501	K	97.8	Very high	97	Very high	108 Å²	108	46.8 Å²	46.8	47%	0.47	27%	0.272	S	S	.	.	H	α-helix	trans	-51.4	-37.7	-179.9	174.8	161.9	172.3	52.4	0	112.8	P497 Y503 L504 D505	P497-K501 VanDerWaalsContact O-CB 3.23Å; P497-K501 WeakPolarHBondContact O-CB 3.19Å; P497-K501 PolarHBondContact O-N 2.72Å; K501-Y503 PolarHBondContact O-N 3.49Å; K501-Y503 VanDerWaalsContact O-N 3.17Å; K501-L504 PolarHBondContact O-N 2.98Å; K501-L504 VanDerWaalsContact O-N 3.17Å; K501-D505 VanDerWaalsContact CE-OD2 3.31Å; K501-D505 WeakPolarHBondContact CE-OD2 3.36Å; K501-D505 WeakPolarHBondContact CG-OD2 3.36Å; K501-D505 IonicContact NZ-OD1 2.75Å; K501-D505 PolarHBondContact NZ-OD1 2.85Å; K501-D505 IonicContact NZ-OD2 3.38Å; K501-D505 PolarHBondContact NZ-OD2 2.73Å; K501-D505 WeakPolarHBondContact O-CB 3.48Å; K501-D505 PolarHBondContact O-N 3.01Å
502	R	97.1	Very high	97.1	Very high	57 Å²	57	48.1 Å²	48.1	22%	0.215	28%	0.281	C	S	.	.	H	α-helix	trans	-56.3	-30.9	177.5	-61.8	163.6	-164.8	-171.4	6.1	113.9	W471 V475 E498 R500 V506	W471-R502 VanDerWaalsContact CD2-NH1 3.32Å; W471-R502 HydrophobicContact CE3-CG 4.49Å; W471-R502 HydrophobicContact CZ3-CG 4.37Å; V475-R502 HydrophobicContact CG2-CB 4.15Å; E498-R502 WeakPolarHBondContact O-CG 3.29Å; E498-R502 PolarHBondContact O-NE 2.8Å; E498-R502 IonicContact OE1-CZ 3.99Å; E498-R502 IonicContact OE1-NE 2.66Å; E498-R502 IonicContact OE1-NH2 2.64Å; E498-R502 PolarHBondContact OE1-NH2 2.84Å; R500-R502 PolarHBondContact O-N 2.76Å; R500-R502 VanDerWaalsContact O-N 3.13Å; R502-V506 VanDerWaalsContact O-CG2 3.31Å; R502-V506 WeakPolarHBondContact O-CG2 3.39Å
503	Y	98	Very high	97.2	Very high	5 Å²	5	49.6 Å²	49.6	2%	0.02	29%	0.292	C	S	.	.	H	α-helix	trans	-94.5	-30.9	177.4	-54.5	-73.3	0	0	0	112.3	V438 C474 V475 V490 N492 S499 R500 K501 V506 A507	V438-Y503 HydrophobicContact CG1-CD2 4.47Å; V438-Y503 HydrophobicContact CG2-CG 4.45Å; C474-Y503 HydrophobicContact CB-CE1 4.13Å; C474-Y503 WeakPolarHBondContact CB-OH 3.46Å; V475-Y503 HydrophobicContact CG2-CE1 4.26Å; V490-Y503 HydrophobicContact CG1-CD1 4.02Å; V490-Y503 HydrophobicContact CG1-CD2 4.24Å; V490-Y503 HydrophobicContact CG1-CE1 3.65Å; V490-Y503 HydrophobicContact CG1-CE2 3.88Å; V490-Y503 HydrophobicContact CG1-CG 4.3Å; V490-Y503 HydrophobicContact CG2-CD1 3.94Å; V490-Y503 HydrophobicContact CG2-CE1 4.22Å; V490-Y503 HydrophobicContact CG2-CG 4.39Å; N492-Y503 PolarHBondContact ND2-OH 3.13Å; N492-Y503 VanDerWaalsContact ND2-OH 3.17Å; S499-Y503 WeakPolarHBondContact O-CD2 3.5Å; S499-Y503 WeakPolarHBondContact O-CE2 3.48Å; R500-Y503 PolarHBondContact O-N 3.07Å; K501-Y503 PolarHBondContact O-N 3.49Å; K501-Y503 VanDerWaalsContact O-N 3.17Å; Y503-V506 PolarHBondContact O-N 3.24Å; Y503-A507 WeakPolarHBondContact O-CB 3.16Å; Y503-A507 PolarHBondContact O-N 3.28Å
504	L	97.9	Very high	97.3	Very high	15 Å²	15	47.3 Å²	47.3	8%	0.079	28%	0.278	C	S	.	.	H	α-helix	trans	-62.7	-42.7	171.8	-73.6	155.8	0	0	0	112	R500 K501 A507 K508 C514 E564 G565 F566	R500-L504 HydrophobicContact CB-CD1 4.29Å; R500-L504 PolarHBondContact O-N 2.83Å; K501-L504 PolarHBondContact O-N 2.98Å; K501-L504 VanDerWaalsContact O-N 3.17Å; L504-A507 PolarHBondContact O-N 3.11Å; L504-K508 VanDerWaalsContact O-CB 3.29Å; L504-K508 WeakPolarHBondContact O-CB 3.41Å; L504-K508 PolarHBondContact O-N 3.48Å; L504-C514 HydrophobicContact CD2-CB 3.94Å; L504-E564 HydrophobicContact CD1-CB 3.94Å; L504-G565 VanDerWaalsContact CD2-C 3.46Å; L504-G565 WeakPolarHBondContact CD2-O 3.38Å; L504-F566 HydrophobicContact CD1-CD2 4.46Å; L504-F566 HydrophobicContact CD1-CE1 4.34Å; L504-F566 HydrophobicContact CD1-CE2 3.93Å; L504-F566 HydrophobicContact CD1-CZ 3.86Å; L504-F566 HydrophobicContact CD2-CD1 3.79Å; L504-F566 HydrophobicContact CD2-CD2 4.42Å; L504-F566 HydrophobicContact CD2-CE1 3.85Å; L504-F566 HydrophobicContact CD2-CE2 4.47Å; L504-F566 HydrophobicContact CD2-CG 4.09Å; L504-F566 HydrophobicContact CD2-CZ 4.19Å; L504-F566 HydrophobicContact CG-CE1 4.12Å; L504-F566 HydrophobicContact CG-CZ 4.13Å
505	D	97.8	Very high	97.4	Very high	71 Å²	71	47.6 Å²	47.6	38%	0.38	28%	0.279	S	S	.	.	H	α-helix	trans	-65.7	-37.7	177	-70.6	-27.2	0	0	0	111.7	K501 A509	K501-D505 VanDerWaalsContact CE-OD2 3.31Å; K501-D505 WeakPolarHBondContact CE-OD2 3.36Å; K501-D505 WeakPolarHBondContact CG-OD2 3.36Å; K501-D505 IonicContact NZ-OD1 2.75Å; K501-D505 PolarHBondContact NZ-OD1 2.85Å; K501-D505 IonicContact NZ-OD2 3.38Å; K501-D505 PolarHBondContact NZ-OD2 2.73Å; K501-D505 WeakPolarHBondContact O-CB 3.48Å; K501-D505 PolarHBondContact O-N 3.01Å; D505-A509 VanDerWaalsContact O-CB 3.27Å; D505-A509 WeakPolarHBondContact O-CB 3.39Å; D505-A509 PolarHBondContact O-N 3.19Å
506	V	97.1	Very high	97.4	Very high	13 Å²	13	47.1 Å²	47.1	8%	0.079	28%	0.276	C	S	.	.	H	α-helix	trans	-65.1	-47.2	173.8	169	0	0	0	0	111.4	V475 C478 E479 L482 R502 Y503 K508 A509 A510	V475-V506 HydrophobicContact CG1-CG2 3.89Å; C478-V506 HydrophobicContact CB-CG1 4.26Å; E479-V506 HydrophobicContact CG-CG1 3.81Å; E479-V506 HydrophobicContact CG-CG2 3.91Å; L482-V506 HydrophobicContact CD1-CG1 3.78Å; R502-V506 VanDerWaalsContact O-CG2 3.31Å; R502-V506 WeakPolarHBondContact O-CG2 3.39Å; Y503-V506 PolarHBondContact O-N 3.24Å; V506-K508 VanDerWaalsContact C-N 3.34Å; V506-K508 PolarHBondContact O-N 3.33Å; V506-A509 PolarHBondContact O-N 3.03Å; V506-A510 PolarHBondContact O-N 3.49Å
507	A	97.4	Very high	97.5	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.008	27%	0.268	C	S	.	.	H	α-helix	trans	-60.1	-45.3	176.8	0	0	0	0	0	111.4	V436 Y503 L504 A510 G511 V512 C514	V436-A507 HydrophobicContact CB-CB 4.25Å; V436-A507 HydrophobicContact CG2-CB 3.9Å; Y503-A507 WeakPolarHBondContact O-CB 3.16Å; Y503-A507 PolarHBondContact O-N 3.28Å; L504-A507 PolarHBondContact O-N 3.11Å; A507-A510 CarbonylContact O-C 3.43Å; A507-A510 PolarHBondContact O-N 3.43Å; A507-G511 PolarHBondContact O-N 3.48Å; A507-V512 HydrophobicContact CB-CG2 3.93Å; A507-V512 WeakPolarHBondContact O-CG2 3.46Å; A507-V512 PolarHBondContact O-N 3.07Å; A507-C514 HydrophobicContact CB-CB 3.73Å
508	K	97.3	Very high	97.5	Very high	173 Å²	173	44.6 Å²	44.6	75%	0.752	26%	0.259	S	S	*	.	H	α-helix	trans	-62.3	-42	176.3	-176.1	175.8	179.6	177.5	0	112.6	L504 V506 A510 G511	L504-K508 VanDerWaalsContact O-CB 3.29Å; L504-K508 WeakPolarHBondContact O-CB 3.41Å; L504-K508 PolarHBondContact O-N 3.48Å; V506-K508 VanDerWaalsContact C-N 3.34Å; V506-K508 PolarHBondContact O-N 3.33Å; K508-A510 VanDerWaalsContact C-N 3.28Å; K508-A510 PolarHBondContact O-N 3.3Å; K508-G511 PolarHBondContact O-N 3.12Å
509	A	96.8	Very high	97.5	Very high	92 Å²	92	39.1 Å²	39.1	76%	0.76	23%	0.234	S	C	*	.	H	α-helix	trans	-67	-28.6	177.3	0	0	0	0	0	113.1	D505 V506	D505-A509 VanDerWaalsContact O-CB 3.27Å; D505-A509 WeakPolarHBondContact O-CB 3.39Å; D505-A509 PolarHBondContact O-N 3.19Å; V506-A509 PolarHBondContact O-N 3.03Å
510	A	96.5	Very high	97.5	Very high	51 Å²	51	40.4 Å²	40.4	42%	0.421	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-3.5	173.6	0	0	0	0	0	114	L482 V506 A507 K508 V512	L482-A510 HydrophobicContact CB-CB 4.1Å; L482-A510 HydrophobicContact CD1-CB 3.8Å; V506-A510 PolarHBondContact O-N 3.49Å; A507-A510 CarbonylContact O-C 3.43Å; A507-A510 PolarHBondContact O-N 3.43Å; K508-A510 VanDerWaalsContact C-N 3.28Å; K508-A510 PolarHBondContact O-N 3.3Å; A510-V512 VanDerWaalsContact C-N 3.31Å; A510-V512 HydrophobicContact CB-CG1 4.48Å; A510-V512 HydrophobicContact CB-CG2 4.19Å; A510-V512 PolarHBondContact O-N 3.4Å
511	G	96.6	Very high	97.4	Very high	72 Å²	72	40.6 Å²	40.6	74%	0.742	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.1	18.5	-178.8	0	0	0	0	0	115.2	A507 K508	A507-G511 PolarHBondContact O-N 3.48Å; K508-G511 PolarHBondContact O-N 3.12Å
512	V	97.4	Very high	97.4	Very high	34 Å²	34	38.8 Å²	38.8	21%	0.206	24%	0.24	C	C	.	.			trans	-104.2	157.6	-175.4	-62.3	0	0	0	0	112.9	T434 V436 L482 A507 A510	T434-V512 HydrophobicContact CG2-CG1 4.06Å; T434-V512 WeakPolarHBondContact O-CB 3.46Å; T434-V512 WeakPolarHBondContact O-CG1 3.34Å; V436-V512 HydrophobicContact CG2-CG2 4.21Å; L482-V512 HydrophobicContact CD1-CG2 4.02Å; L482-V512 HydrophobicContact CD2-CG2 3.98Å; A507-V512 HydrophobicContact CB-CG2 3.93Å; A507-V512 WeakPolarHBondContact O-CG2 3.46Å; A507-V512 PolarHBondContact O-N 3.07Å; A510-V512 VanDerWaalsContact C-N 3.31Å; A510-V512 HydrophobicContact CB-CG1 4.48Å; A510-V512 HydrophobicContact CB-CG2 4.19Å; A510-V512 PolarHBondContact O-N 3.4Å
513	S	96.8	Very high	97.3	Very high	46 Å²	46	36.6 Å²	36.6	32%	0.322	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	148.3	173.2	49.4	0	0	0	0	112	E435 V436	E435-S513 WeakPolarHBondContact CA-O 3.28Å; E435-S513 WeakPolarHBondContact CB-OG 3.36Å; V436-S513 PolarHBondContact N-O 3.44Å
514	C	97.9	Very high	97.2	Very high	6 Å²	6	39.8 Å²	39.8	4%	0.041	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	123.3	176.2	-167.8	0	0	0	0	109.6	V436 L504 A507 F566 S567	V436-C514 CarbonylContact O-C 3.5Å; V436-C514 VanDerWaalsContact O-CA 3.28Å; V436-C514 WeakPolarHBondContact O-CA 3.5Å; L504-C514 HydrophobicContact CD2-CB 3.94Å; A507-C514 HydrophobicContact CB-CB 3.73Å; C514-F566 HydrophobicContact CB-CD1 4.48Å; C514-F566 CarbonylContact O-C 3.59Å; C514-F566 VanDerWaalsContact O-CA 3.29Å; C514-F566 WeakPolarHBondContact O-CA 3.44Å; C514-S567 PolarHBondContact O-N 2.86Å; C514-S567 PolarHBondContact O-OG 3.42Å
515	R	97.9	Very high	97.1	Very high	15 Å²	15	40.7 Å²	40.7	6%	0.057	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	147.9	-179.9	-65.2	-163.2	-70.2	151.8	3.1	111.6	S428 E435 V436 I437 V438 S567 E568	S428-R515 PolarHBondContact O-NH1 3.35Å; S428-R515 PolarHBondContact O-NH2 3.31Å; E435-R515 IonicContact OE1-CZ 3.67Å; E435-R515 IonicContact OE1-NE 3.69Å; E435-R515 IonicContact OE1-NH2 3.76Å; E435-R515 PolarHBondContact OE1-NH2 3.35Å; E435-R515 IonicContact OE2-CZ 3.62Å; E435-R515 IonicContact OE2-NE 3.48Å; E435-R515 PolarHBondContact OE2-NE 3.09Å; E435-R515 IonicContact OE2-NH2 2.78Å; E435-R515 PolarHBondContact OE2-NH2 3.26Å; V436-R515 PolarHBondContact O-N 3.02Å; I437-R515 WeakPolarHBondContact CA-O 3.03Å; V438-R515 PolarHBondContact N-O 3.44Å; R515-S567 WeakPolarHBondContact CG-OG 3.04Å; R515-E568 WeakPolarHBondContact CA-O 3.1Å; R515-E568 HydrophobicContact CB-CB 4.5Å; R515-E568 WeakPolarHBondContact CD-OE2 3.17Å; R515-E568 HydrophobicContact CG-CB 3.87Å; R515-E568 IonicContact CZ-OE2 3.74Å; R515-E568 IonicContact NE-OE2 2.66Å; R515-E568 IonicContact NH1-OE2 3.8Å; R515-E568 PolarHBondContact NH1-OE2 3.37Å
516	C	98.3	Very high	97	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	128.1	176.2	-177.8	0	0	0	0	110.8	V438 V440 F566 E568 I569 L570	V438-C516 WeakPolarHBondContact O-CA 3.43Å; V440-C516 WeakPolarHBondContact CG2-SG 3.49Å; C516-F566 HydrophobicContact CB-CD1 3.73Å; C516-F566 HydrophobicContact CB-CD2 4.04Å; C516-F566 HydrophobicContact CB-CE1 3.79Å; C516-F566 HydrophobicContact CB-CE2 4.09Å; C516-F566 HydrophobicContact CB-CG 3.87Å; C516-F566 HydrophobicContact CB-CZ 3.97Å; C516-E568 PolarHBondContact N-O 2.87Å; C516-I569 HydrophobicContact CB-CB 4.36Å; C516-I569 HydrophobicContact CB-CG1 4.01Å; C516-I569 HydrophobicContact CB-CG2 4.08Å; C516-I569 CarbonylContact O-C 3.56Å; C516-I569 WeakPolarHBondContact O-CA 3.5Å; C516-L570 PolarHBondContact O-N 3.41Å
517	F	98.4	Very high	96.9	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	99.5	169.5	-77.6	18.7	0	0	0	108.2	L429 I437 V438 V440 F450 F451 V455 F519 L570 I572	L429-F517 HydrophobicContact CD2-CE2 4.13Å; L429-F517 HydrophobicContact CD2-CZ 4.19Å; L429-F517 WeakPolarHBondContact O-CZ 3.11Å; I437-F517 HydrophobicContact CD1-CE1 4.24Å; I437-F517 HydrophobicContact CD1-CE2 4.22Å; I437-F517 HydrophobicContact CD1-CZ 3.77Å; I437-F517 HydrophobicContact CG1-CE1 4.43Å; I437-F517 HydrophobicContact CG1-CZ 4.43Å; I437-F517 HydrophobicContact CG2-CB 4.2Å; I437-F517 HydrophobicContact CG2-CD1 3.55Å; I437-F517 HydrophobicContact CG2-CD2 3.74Å; I437-F517 HydrophobicContact CG2-CE1 3.71Å; I437-F517 HydrophobicContact CG2-CE2 3.91Å; I437-F517 HydrophobicContact CG2-CG 3.55Å; I437-F517 HydrophobicContact CG2-CZ 3.9Å; V438-F517 PolarHBondContact O-N 3.11Å; V440-F517 PolarHBondContact N-O 3Å; F450-F517 HydrophobicContact CD1-CD2 4.5Å; F450-F517 AromaticContact CE1-CD2 3.86Å; F450-F517 HydrophobicContact CE1-CD2 3.86Å; F450-F517 AromaticContact CE1-CE2 3.9Å; F450-F517 HydrophobicContact CE1-CE2 3.9Å; F451-F517 HydrophobicContact CE1-CD2 4.01Å; F451-F517 HydrophobicContact CE1-CE2 4.42Å; F451-F517 HydrophobicContact CZ-CB 4.36Å; F451-F517 HydrophobicContact CZ-CD2 4.06Å; V455-F517 HydrophobicContact CG2-CE2 4.15Å; F517-F519 HydrophobicContact CB-CE2 4.09Å; F517-F519 WeakPolarHBondContact O-CD2 3.47Å; F517-L570 HydrophobicContact CD1-CB 4.05Å; F517-L570 HydrophobicContact CD1-CD1 4.02Å; F517-L570 HydrophobicContact CD1-CD2 4.24Å; F517-L570 HydrophobicContact CD1-CG 4.34Å; F517-L570 HydrophobicContact CE1-CB 4.32Å; F517-L570 HydrophobicContact CE1-CD1 3.71Å; F517-L570 HydrophobicContact CE1-CD2 3.69Å; F517-L570 HydrophobicContact CE1-CG 4.13Å; F517-L570 HydrophobicContact CZ-CD2 4.02Å; F517-I572 HydrophobicContact CB-CD1 4.37Å; F517-I572 HydrophobicContact CB-CG1 3.94Å; F517-I572 HydrophobicContact CD2-CD1 4.11Å; F517-I572 HydrophobicContact CD2-CG1 4.32Å; F517-I572 HydrophobicContact CG-CD1 4.17Å; F517-I572 HydrophobicContact CG-CG1 4.27Å
518	L	98.3	Very high	96.9	Very high	30 Å²	30	37.9 Å²	37.9	16%	0.157	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	103.2	-178.1	175.9	61.3	0	0	0	110.5	V440 T520 F557 P560 I569 L570 Q571 I572	V440-L518 HydrophobicContact CB-CD1 4.08Å; V440-L518 HydrophobicContact CG1-CD1 3.77Å; L518-T520 PolarHBondContact O-N 3.16Å; L518-F557 HydrophobicContact CD1-CE2 4.2Å; L518-F557 HydrophobicContact CD1-CZ 4.21Å; L518-P560 HydrophobicContact CB-CG 4.19Å; L518-P560 HydrophobicContact CD1-CG 4.02Å; L518-P560 HydrophobicContact CD2-CG 3.95Å; L518-P560 HydrophobicContact CG-CG 4.27Å; L518-I569 HydrophobicContact CB-CG2 4.26Å; L518-L570 PolarHBondContact N-O 3.31Å; L518-Q571 CarbonylContact O-C 3.57Å; L518-Q571 WeakPolarHBondContact O-CA 3.48Å; L518-I572 PolarHBondContact O-N 2.96Å
519	F	98	Very high	96.8	Very high	12 Å²	12	30.4 Å²	30.4	5%	0.053	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	113.9	177.4	-69.6	-102.1	0	0	0	110.5	A439 V440 K447 F450 F451 F517 A521 I572	A439-F519 HydrophobicContact CB-CE2 4.43Å; V440-F519 PolarHBondContact O-N 3.46Å; K447-F519 HydrophobicContact CB-CD2 4.32Å; K447-F519 HydrophobicContact CB-CE1 4.27Å; K447-F519 HydrophobicContact CB-CE2 4.04Å; K447-F519 HydrophobicContact CB-CZ 4.02Å; K447-F519 HydrophobicContact CD-CB 4.3Å; K447-F519 HydrophobicContact CD-CD2 3.45Å; K447-F519 VanDerWaalsContact CD-CD2 3.45Å; K447-F519 HydrophobicContact CD-CE2 3.88Å; K447-F519 HydrophobicContact CD-CG 3.88Å; K447-F519 HydrophobicContact CG-CB 4.27Å; K447-F519 HydrophobicContact CG-CD1 3.94Å; K447-F519 HydrophobicContact CG-CD2 3.62Å; K447-F519 HydrophobicContact CG-CE1 4.17Å; K447-F519 HydrophobicContact CG-CE2 3.87Å; K447-F519 HydrophobicContact CG-CG 3.66Å; K447-F519 HydrophobicContact CG-CZ 4.14Å; F450-F519 HydrophobicContact CB-CE1 3.67Å; F450-F519 HydrophobicContact CB-CZ 3.86Å; F450-F519 HydrophobicContact CD1-CE1 4.13Å; F450-F519 AromaticContact CD1-CZ 3.73Å; F450-F519 HydrophobicContact CD1-CZ 3.73Å; F450-F519 HydrophobicContact CD2-CE1 4.26Å; F450-F519 HydrophobicContact CE1-CZ 4.47Å; F450-F519 AromaticContact CG-CE1 3.77Å; F450-F519 HydrophobicContact CG-CE1 3.77Å; F450-F519 AromaticContact CG-CZ 3.84Å; F450-F519 HydrophobicContact CG-CZ 3.84Å; F451-F519 AromaticContact CE2-CE2 3.92Å; F451-F519 HydrophobicContact CE2-CE2 3.92Å; F451-F519 HydrophobicContact CE2-CZ 4.02Å; F451-F519 HydrophobicContact CZ-CE2 4.3Å; F517-F519 HydrophobicContact CB-CE2 4.09Å; F517-F519 WeakPolarHBondContact O-CD2 3.47Å; F519-A521 PolarHBondContact O-N 3.46Å; F519-A521 VanDerWaalsContact O-N 3.15Å; F519-I572 CarbonylContact C-O 3.52Å; F519-I572 WeakPolarHBondContact CA-O 3.31Å; F519-I572 HydrophobicContact CD1-CB 3.81Å; F519-I572 HydrophobicContact CD1-CG1 4.5Å; F519-I572 HydrophobicContact CD1-CG2 3.74Å; F519-I572 HydrophobicContact CD2-CB 4.42Å; F519-I572 HydrophobicContact CD2-CG1 4.4Å; F519-I572 HydrophobicContact CE1-CB 3.92Å; F519-I572 HydrophobicContact CE1-CG1 4.31Å; F519-I572 HydrophobicContact CE1-CG2 3.54Å; F519-I572 HydrophobicContact CE2-CG1 4.21Å; F519-I572 HydrophobicContact CG-CB 4.07Å; F519-I572 HydrophobicContact CZ-CB 4.29Å; F519-I572 HydrophobicContact CZ-CG1 4.16Å; F519-I572 HydrophobicContact CZ-CG2 4.16Å
520	T	96.6	Very high	96.7	Very high	47 Å²	47	26.2 Å²	26.2	29%	0.288	17%	0.168	S	C	.	.			trans	-79.7	8.5	-171.1	75.8	0	0	0	0	114.2	L518 T522 Q571 I572 H573	L518-T520 PolarHBondContact O-N 3.16Å; T520-T522 PolarHBondContact O-N 2.68Å; T520-Q571 HydrophobicContact CG2-CB 3.85Å; T520-Q571 HydrophobicContact CG2-CG 4.43Å; T520-I572 PolarHBondContact N-O 2.86Å; T520-H573 WeakPolarHBondContact CB-CE1 3.48Å; T520-H573 WeakPolarHBondContact CG2-CE1 3.33Å; T520-H573 PolarHBondContact OG1-CE1 2.82Å; T520-H573 PolarHBondContact OG1-ND1 3.1Å; T520-H573 VanDerWaalsContact OG1-ND1 3.16Å
521	A	96.4	Very high	96.5	Very high	5 Å²	5	25.7 Å²	25.7	4%	0.041	16%	0.155	C	C	.	.			trans	-60.3	128.4	-179.4	0	0	0	0	0	111.4	Y442 A445 F519 F574	Y442-A521 VanDerWaalsContact CD2-O 3.24Å; Y442-A521 WeakPolarHBondContact CD2-O 3.23Å; A445-A521 HydrophobicContact CB-CB 3.79Å; F519-A521 PolarHBondContact O-N 3.46Å; F519-A521 VanDerWaalsContact O-N 3.15Å; A521-F574 HydrophobicContact CB-CB 3.87Å; A521-F574 HydrophobicContact CB-CD2 3.67Å; A521-F574 HydrophobicContact CB-CG 3.87Å
522	T	96.1	Very high	96.4	Very high	69 Å²	69	23.4 Å²	23.4	42%	0.423	13%	0.125	S	C	.	.			trans	-71.3	167.6	176.8	67.9	0	0	0	0	112	T520 E524 Q525 A526	T520-T522 PolarHBondContact O-N 2.68Å; T522-E524 VanDerWaalsContact C-N 3.29Å; T522-E524 PolarHBondContact O-N 3.29Å; T522-Q525 PolarHBondContact O-N 2.88Å; T522-Q525 WeakPolarHBondContact OG1-CB 3.38Å; T522-Q525 WeakPolarHBondContact OG1-CG 3.41Å; T522-Q525 PolarHBondContact OG1-N 3.39Å; T522-Q525 PolarHBondContact OG1-OE1 3.02Å; T522-A526 WeakPolarHBondContact O-CB 3.18Å; T522-A526 PolarHBondContact O-N 2.71Å
523	L	95.9	Very high	96.1	Very high	12 Å²	12	25.3 Å²	25.3	6%	0.063	13%	0.128	C	C	.	.	H	α-helix	trans	-52.1	-48.5	174.3	176.2	60.5	0	0	0	111.5	Y442 A526 K527 F550 K554	Y442-L523 HydrophobicContact CD1-CD1 4.29Å; Y442-L523 HydrophobicContact CE1-CB 4.17Å; Y442-L523 HydrophobicContact CE1-CD1 3.73Å; L523-A526 PolarHBondContact O-N 3.39Å; L523-K527 HydrophobicContact CD1-CD 4.47Å; L523-K527 HydrophobicContact CD1-CG 4.29Å; L523-K527 WeakPolarHBondContact O-CB 3.38Å; L523-K527 WeakPolarHBondContact O-CG 3.17Å; L523-K527 PolarHBondContact O-N 3.16Å; L523-F550 HydrophobicContact CD1-CB 3.6Å; L523-F550 HydrophobicContact CD1-CD1 4.18Å; L523-F550 HydrophobicContact CD1-CG 4.23Å; L523-K554 HydrophobicContact CD2-CD 3.98Å
524	E	95.3	Very high	95.8	Very high	71 Å²	71	26.1 Å²	26.1	33%	0.332	13%	0.127	S	C	.	.	H	α-helix	trans	-74.8	-35.8	-174.7	-50.1	-41.5	133.3	0	0	112.2	F410 T522 K527 H528	F410-E524 HydrophobicContact CB-CB 3.93Å; T522-E524 VanDerWaalsContact C-N 3.29Å; T522-E524 PolarHBondContact O-N 3.29Å; E524-K527 PolarHBondContact O-N 3.39Å; E524-H528 WeakPolarHBondContact O-CB 3.4Å; E524-H528 PolarHBondContact O-N 3.43Å
525	Q	95.9	Very high	95.5	Very high	35 Å²	35	27.4 Å²	27.4	16%	0.164	13%	0.133	C	C	.	.	H	α-helix	trans	-59.6	-45.1	169.4	-78.9	170.2	-24.9	0	0	111.7	F410 T522 H528 N529 F574	F410-Q525 HydrophobicContact CD1-CG 4.41Å; F410-Q525 HydrophobicContact CD2-CG 3.76Å; F410-Q525 HydrophobicContact CE1-CG 4.24Å; F410-Q525 HydrophobicContact CE2-CG 3.58Å; F410-Q525 HydrophobicContact CG-CG 4.19Å; F410-Q525 HydrophobicContact CZ-CG 3.83Å; T522-Q525 PolarHBondContact O-N 2.88Å; T522-Q525 WeakPolarHBondContact OG1-CB 3.38Å; T522-Q525 WeakPolarHBondContact OG1-CG 3.41Å; T522-Q525 PolarHBondContact OG1-N 3.39Å; T522-Q525 PolarHBondContact OG1-OE1 3.02Å; Q525-H528 PolarHBondContact O-N 3.49Å; Q525-N529 WeakPolarHBondContact O-CB 3.23Å; Q525-N529 PolarHBondContact O-N 2.84Å; Q525-F574 HydrophobicContact CB-CD1 3.67Å; Q525-F574 HydrophobicContact CB-CE1 3.65Å; Q525-F574 HydrophobicContact CB-CG 4.24Å; Q525-F574 HydrophobicContact CB-CZ 4.22Å; Q525-F574 VanDerWaalsContact CD-CD1 3.49Å; Q525-F574 HydrophobicContact CG-CD1 3.62Å; Q525-F574 HydrophobicContact CG-CE1 3.8Å; Q525-F574 HydrophobicContact CG-CG 4.49Å
526	A	96.3	Very high	94.9	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-70.5	-37.4	-179.9	0	0	0	0	0	112.5	Y442 T522 L523 N530 F550	Y442-A526 HydrophobicContact CG-CB 4.24Å; T522-A526 WeakPolarHBondContact O-CB 3.18Å; T522-A526 PolarHBondContact O-N 2.71Å; L523-A526 PolarHBondContact O-N 3.39Å; A526-N530 WeakPolarHBondContact O-CB 3.34Å; A526-N530 PolarHBondContact O-N 3.01Å; A526-F550 HydrophobicContact CB-CD1 4.31Å; A526-F550 HydrophobicContact CB-CE1 3.78Å
527	K	95.6	Very high	93.7	Very high	17 Å²	17	32.9 Å²	32.9	7%	0.074	17%	0.172	C	C	.	.	H	α-helix	trans	-64	-44.8	171	-75.8	-168.6	-172.9	-156.5	0	112.1	L523 E524 N530 R531 D547 F550 H551	L523-K527 HydrophobicContact CD1-CD 4.47Å; L523-K527 HydrophobicContact CD1-CG 4.29Å; L523-K527 WeakPolarHBondContact O-CB 3.38Å; L523-K527 WeakPolarHBondContact O-CG 3.17Å; L523-K527 PolarHBondContact O-N 3.16Å; E524-K527 PolarHBondContact O-N 3.39Å; K527-N530 PolarHBondContact O-N 3.43Å; K527-R531 WeakPolarHBondContact O-CG 3.35Å; K527-R531 PolarHBondContact O-N 3.46Å; K527-D547 VanDerWaalsContact CE-OD1 3.31Å; K527-D547 WeakPolarHBondContact CE-OD1 3.35Å; K527-D547 IonicContact NZ-OD1 2.71Å; K527-D547 PolarHBondContact NZ-OD1 3.1Å; K527-F550 HydrophobicContact CG-CD1 4.25Å; K527-F550 HydrophobicContact CG-CD2 4.27Å; K527-F550 HydrophobicContact CG-CE1 4.29Å; K527-F550 HydrophobicContact CG-CE2 4.29Å; K527-F550 HydrophobicContact CG-CG 4.25Å; K527-F550 HydrophobicContact CG-CZ 4.31Å; K527-H551 PolarHBondContact NZ-NE2 2.99Å
528	H	95.8	Very high	92.5	Very high	8 Å²	8	36 Å²	36	4%	0.037	19%	0.194	C	C	.	.	H	α-helix	trans	-61.8	-47.6	176.3	171.7	70.1	0	0	0	111.2	F410 E524 Q525 N530 R531 F532 F587 Q589 S591	F410-H528 HydrophobicContact CD1-CB 4.32Å; F410-H528 HydrophobicContact CE1-CB 3.91Å; F410-H528 AromaticContact CE1-CD2 3.71Å; F410-H528 AromaticContact CE1-CG 3.81Å; E524-H528 WeakPolarHBondContact O-CB 3.4Å; E524-H528 PolarHBondContact O-N 3.43Å; Q525-H528 PolarHBondContact O-N 3.49Å; H528-N530 VanDerWaalsContact C-N 3.3Å; H528-N530 PolarHBondContact O-N 3.29Å; H528-R531 PolarHBondContact O-N 2.89Å; H528-F532 PolarHBondContact O-N 2.66Å; H528-F587 AromaticContact CD2-CE1 3.95Å; H528-F587 AromaticContact CD2-CE2 3.92Å; H528-F587 AromaticContact CD2-CZ 3.7Å; H528-F587 PolarHBondContact NE2-O 3.27Å; H528-Q589 PolarHBondContact NE2-O 3.14Å; H528-S591 WeakPolarHBondContact CE1-CB 3.47Å; H528-S591 PolarHBondContact CE1-OG 3.25Å; H528-S591 PolarHBondContact ND1-OG 2.76Å
529	N	95.4	Very high	90.8	Very high	17 Å²	17	42.8 Å²	42.8	9%	0.091	23%	0.23	C	C	.	.	H	α-helix	trans	-61.3	-37.8	176.4	-163.5	28.6	0	0	0	112.5	A444 Q525 R531 F532 R533 F574	A444-N529 PolarHBondContact O-ND2 3.07Å; Q525-N529 WeakPolarHBondContact O-CB 3.23Å; Q525-N529 PolarHBondContact O-N 2.84Å; N529-R531 VanDerWaalsContact C-N 3.35Å; N529-F532 PolarHBondContact O-N 3.38Å; N529-R533 WeakPolarHBondContact O-CB 3Å; N529-R533 VanDerWaalsContact O-CG 3.3Å; N529-R533 WeakPolarHBondContact O-CG 3.35Å; N529-R533 PolarHBondContact O-N 2.92Å; N529-F574 HydrophobicContact CB-CE2 4.12Å; N529-F574 HydrophobicContact CB-CZ 3.9Å
530	N	94.8	Very high	89.4	Confident	4 Å²	4	46.3 Å²	46.3	2%	0.021	26%	0.257	C	S	.	.	H	α-helix	trans	-61.1	-42.7	172.3	173.9	79	0	0	0	111.9	A444 A526 K527 H528 R533 E534 H542 V545 F550	A444-N530 HydrophobicContact CB-CB 3.66Å; A526-N530 WeakPolarHBondContact O-CB 3.34Å; A526-N530 PolarHBondContact O-N 3.01Å; K527-N530 PolarHBondContact O-N 3.43Å; H528-N530 VanDerWaalsContact C-N 3.3Å; H528-N530 PolarHBondContact O-N 3.29Å; N530-R533 PolarHBondContact O-N 3.34Å; N530-E534 PolarHBondContact ND2-OE1 2.9Å; N530-E534 WeakPolarHBondContact O-CG 3.36Å; N530-E534 PolarHBondContact O-N 2.85Å; N530-H542 PolarHBondContact OD1-NE2 2.96Å; N530-V545 WeakPolarHBondContact OD1-CB 3.36Å; N530-V545 PolarHBondContact OD1-N 3.08Å; N530-F550 HydrophobicContact CB-CZ 3.88Å
531	R	93.5	Very high	88.1	Confident	39 Å²	39	54 Å²	54	15%	0.147	29%	0.286	C	S	.	.	H	α-helix	trans	-68.2	-41.1	176.9	-70.1	174.7	-169.4	123.8	4.6	112.4	K527 H528 N529 R533 E534 M535 E592	K527-R531 WeakPolarHBondContact O-CG 3.35Å; K527-R531 PolarHBondContact O-N 3.46Å; H528-R531 PolarHBondContact O-N 2.89Å; N529-R531 VanDerWaalsContact C-N 3.35Å; R531-R533 VanDerWaalsContact C-N 3.32Å; R531-R533 PolarHBondContact O-N 3.46Å; R531-E534 WeakPolarHBondContact O-CB 3.5Å; R531-E534 PolarHBondContact O-N 2.84Å; R531-E534 VanDerWaalsContact O-N 3.16Å; R531-M535 WeakPolarHBondContact O-CG 3.25Å; R531-M535 PolarHBondContact O-N 2.8Å; R531-E592 IonicContact CZ-OE1 3.16Å; R531-E592 VanDerWaalsContact CZ-OE1 3.24Å; R531-E592 IonicContact CZ-OE2 3.46Å; R531-E592 IonicContact NE-OE1 3.67Å; R531-E592 VanDerWaalsContact NH1-CD 3.28Å; R531-E592 IonicContact NH1-OE1 2.89Å; R531-E592 IonicContact NH1-OE2 2.79Å; R531-E592 PolarHBondContact NH1-OE2 3.25Å; R531-E592 IonicContact NH2-OE1 2.65Å; R531-E592 PolarHBondContact NH2-OE1 2.93Å; R531-E592 IonicContact NH2-OE2 2.66Å; R531-E592 PolarHBondContact NH2-OE2 3.42Å
532	F	93.9	Very high	87.4	Confident	24 Å²	24	55.7 Å²	55.7	11%	0.105	29%	0.293	C	S	.	.	H	α-helix	trans	-55.9	-48.1	170.8	171.9	-106.2	0	0	0	110.8	H528 N529 E534 M535 A536 F578 S583 L586 F587	H528-F532 PolarHBondContact O-N 2.66Å; N529-F532 PolarHBondContact O-N 3.38Å; F532-E534 VanDerWaalsContact C-N 3.3Å; F532-E534 PolarHBondContact O-N 2.86Å; F532-M535 CarbonylContact O-C 3.53Å; F532-M535 PolarHBondContact O-N 2.85Å; F532-A536 HydrophobicContact CD2-CB 4.33Å; F532-A536 HydrophobicContact CE1-CB 4.1Å; F532-A536 HydrophobicContact CE2-CB 3.86Å; F532-A536 HydrophobicContact CZ-CB 3.73Å; F532-A536 WeakPolarHBondContact O-CB 3.3Å; F532-A536 PolarHBondContact O-N 3.11Å; F532-F578 HydrophobicContact CZ-CD1 4.43Å; F532-S583 VanDerWaalsContact CE2-O 3.24Å; F532-S583 WeakPolarHBondContact CE2-O 3.49Å; F532-L586 HydrophobicContact CD2-CB 4.48Å; F532-L586 HydrophobicContact CD2-CD2 4.24Å; F532-L586 HydrophobicContact CD2-CG 4.1Å; F532-L586 HydrophobicContact CE2-CB 4.23Å; F532-L586 HydrophobicContact CE2-CD2 4.17Å; F532-L586 HydrophobicContact CE2-CG 4.22Å; F532-F587 HydrophobicContact CB-CD2 4.04Å; F532-F587 AromaticContact CD1-CD2 3.77Å; F532-F587 HydrophobicContact CD1-CD2 3.77Å; F532-F587 HydrophobicContact CD1-CE2 4.4Å; F532-F587 HydrophobicContact CD2-CB 3.89Å; F532-F587 HydrophobicContact CD2-CD2 4Å; F532-F587 HydrophobicContact CD2-CG 4.43Å; F532-F587 HydrophobicContact CE1-CD2 4.23Å; F532-F587 HydrophobicContact CE2-CB 3.95Å; F532-F587 HydrophobicContact CE2-CD2 4.45Å; F532-F587 HydrophobicContact CG-CB 4.42Å; F532-F587 AromaticContact CG-CD2 3.65Å; F532-F587 HydrophobicContact CG-CD2 3.65Å; F532-F587 HydrophobicContact CG-CE2 4.48Å; F532-F587 HydrophobicContact CG-CG 4.49Å
533	R	91.9	Very high	86.8	Confident	74 Å²	74	56.1 Å²	56.1	28%	0.279	30%	0.304	S	S	.	.	H	α-helix	trans	-68.2	-21	176.7	-70.9	175.7	56.2	163.2	-0.1	114.7	N529 N530 R531 M535 H542	N529-R533 WeakPolarHBondContact O-CB 3Å; N529-R533 VanDerWaalsContact O-CG 3.3Å; N529-R533 WeakPolarHBondContact O-CG 3.35Å; N529-R533 PolarHBondContact O-N 2.92Å; N530-R533 PolarHBondContact O-N 3.34Å; R531-R533 VanDerWaalsContact C-N 3.32Å; R531-R533 PolarHBondContact O-N 3.46Å; R533-M535 VanDerWaalsContact C-N 3.3Å; R533-H542 HydrophobicContact CB-CB 4.2Å; R533-H542 VanDerWaalsContact CB-CD2 3.47Å; R533-H542 WeakPolarHBondContact CB-CD2 3.48Å; R533-H542 PolarHBondContact NE-ND1 3.09Å; R533-H542 PolarHBondContact NH2-CE1 2.86Å; R533-H542 PolarHBondContact NH2-ND1 3.2Å; R533-H542 WeakPolarHBondContact O-CB 3.44Å
534	E	90.6	Very high	86.3	Confident	64 Å²	64	61 Å²	61	30%	0.299	32%	0.324	S	S	.	.	H	α-helix	trans	-76.1	-15.9	168	-77.1	177.9	-128.4	0	0	113.2	N530 R531 F532 K544	N530-E534 PolarHBondContact ND2-OE1 2.9Å; N530-E534 WeakPolarHBondContact O-CG 3.36Å; N530-E534 PolarHBondContact O-N 2.85Å; R531-E534 WeakPolarHBondContact O-CB 3.5Å; R531-E534 PolarHBondContact O-N 2.84Å; R531-E534 VanDerWaalsContact O-N 3.16Å; F532-E534 VanDerWaalsContact C-N 3.3Å; F532-E534 PolarHBondContact O-N 2.86Å; E534-K544 HydrophobicContact CG-CB 4.46Å; E534-K544 WeakPolarHBondContact OE1-CG 3.41Å; E534-K544 IonicContact OE1-NZ 3.13Å; E534-K544 PolarHBondContact OE1-NZ 2.98Å; E534-K544 IonicContact OE2-NZ 2.73Å; E534-K544 PolarHBondContact OE2-NZ 3Å
535	M	90.8	Very high	86	Confident	32 Å²	32	58.7 Å²	58.7	16%	0.158	32%	0.315	C	S	.	.	H	α-helix	trans	-114	-32.2	-173.6	-68.3	-171.3	-58.7	0	0	114.6	V326 V331 R531 F532 R533 L586	V326-M535 HydrophobicContact CG1-CB 3.88Å; V326-M535 HydrophobicContact CG1-CG 4.15Å; V326-M535 HydrophobicContact CG1-SD 4.13Å; V331-M535 HydrophobicContact CG1-CE 4.48Å; V331-M535 HydrophobicContact CG1-SD 4.22Å; V331-M535 HydrophobicContact CG2-CE 4.02Å; V331-M535 HydrophobicContact CG2-SD 3.94Å; R531-M535 WeakPolarHBondContact O-CG 3.25Å; R531-M535 PolarHBondContact O-N 2.8Å; F532-M535 CarbonylContact O-C 3.53Å; F532-M535 PolarHBondContact O-N 2.85Å; R533-M535 VanDerWaalsContact C-N 3.3Å; M535-L586 HydrophobicContact CB-CD2 4.06Å; M535-L586 HydrophobicContact CE-CD1 4.11Å
536	A	86.1	Confident	85.8	Confident	20 Å²	20	61.5 Å²	61.5	17%	0.165	33%	0.331	C	S	.	.	S	Bend	trans	-72.2	140.3	-173.5	0	0	0	0	0	112.1	F532 S538	F532-A536 HydrophobicContact CD2-CB 4.33Å; F532-A536 HydrophobicContact CE1-CB 4.1Å; F532-A536 HydrophobicContact CE2-CB 3.86Å; F532-A536 HydrophobicContact CZ-CB 3.73Å; F532-A536 WeakPolarHBondContact O-CB 3.3Å; F532-A536 PolarHBondContact O-N 3.11Å; A536-S538 PolarHBondContact O-N 2.79Å
537	P	72.6	Confident	85.6	Confident	110 Å²	110	65 Å²	65	71%	0.714	35%	0.35	S	S	*	.			trans	-56	124	174.1	-26	35.4	0	0	0	112.3
538	S	72.4	Confident	85.4	Confident	66 Å²	66	71.9 Å²	71.9	46%	0.462	38%	0.384	S	S	.	.			trans	-148.3	133	-174.6	-178.8	0	0	0	0	111.9	A536 S540	A536-S538 PolarHBondContact O-N 2.79Å; S538-S540 VanDerWaalsContact CB-O 3.32Å; S538-S540 WeakPolarHBondContact CB-O 3.28Å; S538-S540 PolarHBondContact O-N 3.43Å; S538-S540 PolarHBondContact OG-N 3.34Å; S538-S540 PolarHBondContact OG-O 2.75Å
539	N	63.9	Low	85.4	Confident	172 Å²	172	74.9 Å²	74.9	92%	0.92	40%	0.403	S	S	*	.	S	Bend	trans	-65.2	-19.4	175.7	-56.5	20.3	0	0	0	112.1
540	S	67.3	Low	85.4	Confident	87 Å²	87	74.2 Å²	74.2	61%	0.608	40%	0.4	S	S	*	.	S	Bend	trans	-119.1	134.4	172.8	59.8	0	0	0	0	110.8	S538 H542	S538-S540 VanDerWaalsContact CB-O 3.32Å; S538-S540 WeakPolarHBondContact CB-O 3.28Å; S538-S540 PolarHBondContact O-N 3.43Å; S538-S540 PolarHBondContact OG-N 3.34Å; S538-S540 PolarHBondContact OG-O 2.75Å; S540-H542 PolarHBondContact O-N 2.87Å
541	K	70	Confident	85.4	Confident	209 Å²	209	78.5 Å²	78.5	91%	0.909	42%	0.419	S	S	*	.			trans	-70.9	116.9	-179.3	-172.4	175	-175.1	174.6	0	110	A543	K541-A543 PolarHBondContact O-N 2.97Å
542	H	81.9	Confident	85.5	Confident	40 Å²	40	79.7 Å²	79.7	19%	0.185	43%	0.433	C	S	.	.			trans	-64.1	130.1	178.4	178.8	49.7	0	0	0	111.5	N530 R533 S540 K544	N530-H542 PolarHBondContact OD1-NE2 2.96Å; R533-H542 HydrophobicContact CB-CB 4.2Å; R533-H542 VanDerWaalsContact CB-CD2 3.47Å; R533-H542 WeakPolarHBondContact CB-CD2 3.48Å; R533-H542 PolarHBondContact NE-ND1 3.09Å; R533-H542 PolarHBondContact NH2-CE1 2.86Å; R533-H542 PolarHBondContact NH2-ND1 3.2Å; R533-H542 WeakPolarHBondContact O-CB 3.44Å; S540-H542 PolarHBondContact O-N 2.87Å; H542-K544 PolarHBondContact O-N 3.29Å
543	A	83	Confident	85.6	Confident	78 Å²	78	79 Å²	79	65%	0.645	43%	0.43	S	S	*	.			trans	-76	107.2	174	0	0	0	0	0	109.6	K541 V545	K541-A543 PolarHBondContact O-N 2.97Å; A543-V545 PolarHBondContact O-N 2.79Å
544	K	85.8	Confident	85.9	Confident	113 Å²	113	81.3 Å²	81.3	49%	0.491	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-55.1	119.1	-179.8	172.6	168.5	-169.5	73.4	0	111.7	E534 H542	E534-K544 HydrophobicContact CG-CB 4.46Å; E534-K544 WeakPolarHBondContact OE1-CG 3.41Å; E534-K544 IonicContact OE1-NZ 3.13Å; E534-K544 PolarHBondContact OE1-NZ 2.98Å; E534-K544 IonicContact OE2-NZ 2.73Å; E534-K544 PolarHBondContact OE2-NZ 3Å; H542-K544 PolarHBondContact O-N 3.29Å
545	V	89.6	Confident	86.2	Confident	24 Å²	24	86.8 Å²	86.8	15%	0.145	47%	0.465	C	S	.	.	P	Polyproline II helix	trans	-83.4	125.8	171.2	-173.2	0	0	0	0	109.1	P443 A444 N530 A543 V549 F550	P443-V545 HydrophobicContact CB-CG1 3.79Å; P443-V545 HydrophobicContact CB-CG2 4.24Å; P443-V545 HydrophobicContact CG-CG1 3.76Å; A444-V545 HydrophobicContact CB-CG2 4.14Å; N530-V545 WeakPolarHBondContact OD1-CB 3.36Å; N530-V545 PolarHBondContact OD1-N 3.08Å; A543-V545 PolarHBondContact O-N 2.79Å; V545-V549 HydrophobicContact CG1-CB 3.97Å; V545-V549 HydrophobicContact CG1-CG1 4.36Å; V545-V549 HydrophobicContact CG1-CG2 4.47Å; V545-F550 HydrophobicContact CB-CD2 4.49Å; V545-F550 HydrophobicContact CB-CE2 3.62Å; V545-F550 HydrophobicContact CB-CZ 3.86Å; V545-F550 HydrophobicContact CG1-CD2 3.75Å; V545-F550 HydrophobicContact CG1-CE1 4.44Å; V545-F550 HydrophobicContact CG1-CE2 3.31Å; V545-F550 HydrophobicContact CG1-CG 4.49Å; V545-F550 HydrophobicContact CG1-CZ 3.7Å
546	N	90.8	Very high	86.5	Confident	94 Å²	94	88.6 Å²	88.6	50%	0.503	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-84.9	148.1	177.8	-68.7	-46	0	0	0	111.7	M548 V549	N546-M548 PolarHBondContact O-N 2.85Å; N546-M548 VanDerWaalsContact O-N 3.08Å; N546-V549 WeakPolarHBondContact O-CB 3.45Å; N546-V549 PolarHBondContact O-N 3.16Å
547	D	91.6	Very high	87	Confident	74 Å²	74	91.3 Å²	91.3	40%	0.396	48%	0.483	S	S	.	.	H	α-helix	trans	-49.7	-37.8	179.6	-69.7	-80.2	0	0	0	113.8	K527 V549 F550 H551	K527-D547 VanDerWaalsContact CE-OD1 3.31Å; K527-D547 WeakPolarHBondContact CE-OD1 3.35Å; K527-D547 IonicContact NZ-OD1 2.71Å; K527-D547 PolarHBondContact NZ-OD1 3.1Å; D547-V549 PolarHBondContact O-N 2.96Å; D547-F550 PolarHBondContact O-N 2.81Å; D547-F550 VanDerWaalsContact O-N 3.13Å; D547-H551 PolarHBondContact O-CD2 3.09Å; D547-H551 PolarHBondContact O-N 2.95Å
548	M	92.3	Very high	88.2	Confident	160 Å²	160	89.7 Å²	89.7	79%	0.788	47%	0.471	S	S	*	.	H	α-helix	trans	-55.1	-34.3	176.1	-69.5	176.9	66.3	0	0	113.2	N546 S552	N546-M548 PolarHBondContact O-N 2.85Å; N546-M548 VanDerWaalsContact O-N 3.08Å; M548-S552 WeakPolarHBondContact O-CB 3.27Å; M548-S552 PolarHBondContact O-N 3.43Å
549	V	94.4	Very high	89.4	Confident	72 Å²	72	89.4 Å²	89.4	44%	0.436	47%	0.473	S	S	.	.	H	α-helix	trans	-73.9	-41.3	179.6	-167.9	0	0	0	0	110.3	P443 V545 N546 D547 S552 Y553	P443-V549 HydrophobicContact CG-CG1 4.12Å; V545-V549 HydrophobicContact CG1-CB 3.97Å; V545-V549 HydrophobicContact CG1-CG1 4.36Å; V545-V549 HydrophobicContact CG1-CG2 4.47Å; N546-V549 WeakPolarHBondContact O-CB 3.45Å; N546-V549 PolarHBondContact O-N 3.16Å; D547-V549 PolarHBondContact O-N 2.96Å; V549-S552 PolarHBondContact O-N 3.12Å; V549-Y553 WeakPolarHBondContact O-CB 3.48Å; V549-Y553 PolarHBondContact O-N 3.29Å
550	F	95.9	Very high	91	Very high	3 Å²	3	81.9 Å²	81.9	1%	0.013	43%	0.434	C	S	.	.	H	α-helix	trans	-63.5	-42.9	174	-67.7	-84.7	0	0	0	112.3	Y442 P443 A444 L523 A526 K527 N530 V545 D547 Y553 K554	Y442-F550 HydrophobicContact CD1-CD1 4.07Å; P443-F550 HydrophobicContact CG-CD1 3.88Å; P443-F550 HydrophobicContact CG-CE1 4Å; P443-F550 HydrophobicContact CG-CG 4.26Å; P443-F550 VanDerWaalsContact O-CE1 3.28Å; P443-F550 WeakPolarHBondContact O-CE1 3.26Å; A444-F550 HydrophobicContact CB-CZ 4.31Å; L523-F550 HydrophobicContact CD1-CB 3.6Å; L523-F550 HydrophobicContact CD1-CD1 4.18Å; L523-F550 HydrophobicContact CD1-CG 4.23Å; A526-F550 HydrophobicContact CB-CD1 4.31Å; A526-F550 HydrophobicContact CB-CE1 3.78Å; K527-F550 HydrophobicContact CG-CD1 4.25Å; K527-F550 HydrophobicContact CG-CD2 4.27Å; K527-F550 HydrophobicContact CG-CE1 4.29Å; K527-F550 HydrophobicContact CG-CE2 4.29Å; K527-F550 HydrophobicContact CG-CG 4.25Å; K527-F550 HydrophobicContact CG-CZ 4.31Å; N530-F550 HydrophobicContact CB-CZ 3.88Å; V545-F550 HydrophobicContact CB-CD2 4.49Å; V545-F550 HydrophobicContact CB-CE2 3.62Å; V545-F550 HydrophobicContact CB-CZ 3.86Å; V545-F550 HydrophobicContact CG1-CD2 3.75Å; V545-F550 HydrophobicContact CG1-CE1 4.44Å; V545-F550 HydrophobicContact CG1-CE2 3.31Å; V545-F550 HydrophobicContact CG1-CG 4.49Å; V545-F550 HydrophobicContact CG1-CZ 3.7Å; D547-F550 PolarHBondContact O-N 2.81Å; D547-F550 VanDerWaalsContact O-N 3.13Å; F550-Y553 PolarHBondContact O-N 2.98Å; F550-K554 WeakPolarHBondContact O-CB 3.39Å; F550-K554 PolarHBondContact O-N 3.08Å
551	H	94.4	Very high	92.5	Very high	93 Å²	93	82 Å²	82	43%	0.431	43%	0.428	S	S	.	.	H	α-helix	trans	-72.2	-34.7	178	-70.4	-66.1	0	0	0	112.5	K527 D547 K554 K555	K527-H551 PolarHBondContact NZ-NE2 2.99Å; D547-H551 PolarHBondContact O-CD2 3.09Å; D547-H551 PolarHBondContact O-N 2.95Å; H551-K554 PolarHBondContact O-N 3.17Å; H551-K555 WeakPolarHBondContact O-CB 3.4Å; H551-K555 PolarHBondContact O-N 2.9Å
552	S	96.1	Very high	93.7	Very high	64 Å²	64	76.1 Å²	76.1	45%	0.448	41%	0.409	S	S	.	.	H	α-helix	trans	-62.2	-46.3	170.5	-174.5	0	0	0	0	111.5	M548 V549 K554 K555 N556	M548-S552 WeakPolarHBondContact O-CB 3.27Å; M548-S552 PolarHBondContact O-N 3.43Å; V549-S552 PolarHBondContact O-N 3.12Å; S552-K554 PolarHBondContact O-N 2.8Å; S552-K555 PolarHBondContact O-N 3.22Å; S552-N556 PolarHBondContact O-N 2.64Å; S552-N556 VanDerWaalsContact O-N 3.11Å
553	Y	96.9	Very high	94.4	Very high	10 Å²	10	79.1 Å²	79.1	4%	0.039	44%	0.435	C	S	.	.	H	α-helix	trans	-56.2	-52.2	172.2	-179.9	-83.4	0	0	0	111.5	G441 Y442 T493 P495 V549 F550 K555 N556 F557	G441-Y553 VanDerWaalsContact C-CE2 3.42Å; G441-Y553 WeakPolarHBondContact CA-OH 3.27Å; G441-Y553 PolarHBondContact N-OH 2.95Å; G441-Y553 VanDerWaalsContact O-CE2 3.3Å; G441-Y553 WeakPolarHBondContact O-CE2 3.1Å; Y442-Y553 AromaticContact CD1-CD1 3.33Å; Y442-Y553 HydrophobicContact CD1-CD1 3.33Å; Y442-Y553 AromaticContact CD1-CE1 3.94Å; Y442-Y553 HydrophobicContact CD1-CE1 3.94Å; Y442-Y553 AromaticContact CD1-CG 3.98Å; Y442-Y553 HydrophobicContact CD1-CG 3.98Å; Y442-Y553 HydrophobicContact CD2-CD1 4.01Å; Y442-Y553 AromaticContact CD2-CE1 3.73Å; Y442-Y553 HydrophobicContact CD2-CE1 3.73Å; Y442-Y553 AromaticContact CE1-CD1 3.41Å; Y442-Y553 HydrophobicContact CE1-CD1 3.41Å; Y442-Y553 VanDerWaalsContact CE1-CD1 3.41Å; Y442-Y553 HydrophobicContact CE1-CE1 4.06Å; Y442-Y553 HydrophobicContact CE1-CG 4.32Å; Y442-Y553 HydrophobicContact CE2-CD1 4.07Å; Y442-Y553 AromaticContact CE2-CE1 3.85Å; Y442-Y553 HydrophobicContact CE2-CE1 3.85Å; Y442-Y553 AromaticContact CG-CD1 3.65Å; Y442-Y553 HydrophobicContact CG-CD1 3.65Å; Y442-Y553 AromaticContact CG-CE1 3.77Å; Y442-Y553 HydrophobicContact CG-CE1 3.77Å; Y442-Y553 HydrophobicContact CG-CG 4.39Å; Y442-Y553 AromaticContact CZ-CD1 3.78Å; T493-Y553 HydrophobicContact CG2-CD2 4.2Å; T493-Y553 WeakPolarHBondContact O-CE2 3.41Å; P495-Y553 HydrophobicContact CB-CD2 3.75Å; P495-Y553 HydrophobicContact CB-CE2 3.65Å; P495-Y553 HydrophobicContact CB-CG 4.43Å; P495-Y553 HydrophobicContact CG-CD2 4.2Å; P495-Y553 HydrophobicContact CG-CE2 4.39Å; V549-Y553 WeakPolarHBondContact O-CB 3.48Å; V549-Y553 PolarHBondContact O-N 3.29Å; F550-Y553 PolarHBondContact O-N 2.98Å; Y553-K555 PolarHBondContact O-N 3.08Å; Y553-N556 PolarHBondContact O-N 3.46Å; Y553-N556 VanDerWaalsContact O-N 3.14Å; Y553-F557 HydrophobicContact CD1-CB 4.38Å; Y553-F557 HydrophobicContact CE1-CB 3.96Å; Y553-F557 AromaticContact CE1-CD2 3.9Å; Y553-F557 HydrophobicContact CE1-CD2 3.9Å; Y553-F557 HydrophobicContact CE1-CG 4.02Å; Y553-F557 AromaticContact CZ-CD2 3.67Å; Y553-F557 WeakPolarHBondContact O-CB 3.35Å; Y553-F557 PolarHBondContact O-N 2.86Å; Y553-F557 WeakPolarHBondContact OH-CD2 3.43Å; Y553-F557 WeakPolarHBondContact OH-CE2 3.47Å
554	K	96.8	Very high	95.1	Very high	122 Å²	122	77.8 Å²	77.8	53%	0.53	42%	0.415	S	S	.	.	H	α-helix	trans	-60.5	-32.4	-179.1	-175.2	169.3	179.3	175.8	0	113	Y442 L523 F550 H551 S552	Y442-K554 HydrophobicContact CE1-CB 4.12Å; L523-K554 HydrophobicContact CD2-CD 3.98Å; F550-K554 WeakPolarHBondContact O-CB 3.39Å; F550-K554 PolarHBondContact O-N 3.08Å; H551-K554 PolarHBondContact O-N 3.17Å; S552-K554 PolarHBondContact O-N 2.8Å
555	K	97.1	Very high	95.6	Very high	180 Å²	180	74.9 Å²	74.9	78%	0.783	42%	0.417	S	S	*	.	H	α-helix	trans	-70.8	-39.8	176.2	-174.7	-170.6	173.3	-169.1	0	112.4	H551 S552 Y553	H551-K555 WeakPolarHBondContact O-CB 3.4Å; H551-K555 PolarHBondContact O-N 2.9Å; S552-K555 PolarHBondContact O-N 3.22Å; Y553-K555 PolarHBondContact O-N 3.08Å
556	N	97.2	Very high	96	Very high	70 Å²	70	74 Å²	74	37%	0.374	41%	0.411	S	S	.	.	H	α-helix	trans	-93.5	-8.4	-173.2	-63.1	6.1	0	0	0	113.2	P495 S552 Y553 V558	P495-N556 HydrophobicContact CB-CB 4.23Å; P495-N556 HydrophobicContact CG-CB 4.14Å; S552-N556 PolarHBondContact O-N 2.64Å; S552-N556 VanDerWaalsContact O-N 3.11Å; Y553-N556 PolarHBondContact O-N 3.46Å; Y553-N556 VanDerWaalsContact O-N 3.14Å; N556-V558 PolarHBondContact O-N 2.85Å
557	F	98	Very high	96.3	Very high	76 Å²	76	73.2 Å²	73.2	33%	0.333	41%	0.413	S	S	.	.			trans	-68.1	119.8	-175.3	176.7	-108.6	0	0	0	112.5	V440 P495 L518 Y553 A559	V440-F557 HydrophobicContact CG1-CE2 3.93Å; P495-F557 HydrophobicContact CB-CB 4.38Å; P495-F557 WeakPolarHBondContact O-CA 3.34Å; L518-F557 HydrophobicContact CD1-CE2 4.2Å; L518-F557 HydrophobicContact CD1-CZ 4.21Å; Y553-F557 HydrophobicContact CD1-CB 4.38Å; Y553-F557 HydrophobicContact CE1-CB 3.96Å; Y553-F557 AromaticContact CE1-CD2 3.9Å; Y553-F557 HydrophobicContact CE1-CD2 3.9Å; Y553-F557 HydrophobicContact CE1-CG 4.02Å; Y553-F557 AromaticContact CZ-CD2 3.67Å; Y553-F557 WeakPolarHBondContact O-CB 3.35Å; Y553-F557 PolarHBondContact O-N 2.86Å; Y553-F557 WeakPolarHBondContact OH-CD2 3.43Å; Y553-F557 WeakPolarHBondContact OH-CE2 3.47Å; F557-A559 HydrophobicContact CE1-CB 4.28Å; F557-A559 HydrophobicContact CZ-CB 4.09Å
558	V	97.9	Very high	96.5	Very high	76 Å²	76	72.3 Å²	72.3	46%	0.461	41%	0.407	S	S	.	.			trans	-118.2	123.3	165.5	-176.7	0	0	0	0	106.9	P495 P497 R500 N556	P495-V558 PolarHBondContact O-N 2.91Å; P497-V558 HydrophobicContact CG-CB 4.19Å; P497-V558 HydrophobicContact CG-CG1 4.23Å; R500-V558 PolarHBondContact NH1-O 3.02Å; R500-V558 PolarHBondContact NH2-O 3.29Å; N556-V558 PolarHBondContact O-N 2.85Å
559	A	97.4	Very high	96.7	Very high	60 Å²	60	66.5 Å²	66.5	50%	0.496	38%	0.378	S	S	.	.			trans	-55.6	134.5	-179.9	0	0	0	0	0	110.9	F557	F557-A559 HydrophobicContact CE1-CB 4.28Å; F557-A559 HydrophobicContact CZ-CB 4.09Å
560	P	97.6	Very high	96.9	Very high	15 Å²	15	63 Å²	63	10%	0.097	36%	0.358	C	S	.	.			trans	-69	142.6	-176.3	29.4	-35.3	0	0	0	111.5	V440 L518 E564 F566 I569	V440-P560 HydrophobicContact CG1-CG 4.49Å; L518-P560 HydrophobicContact CB-CG 4.19Å; L518-P560 HydrophobicContact CD1-CG 4.02Å; L518-P560 HydrophobicContact CD2-CG 3.95Å; L518-P560 HydrophobicContact CG-CG 4.27Å; P560-E564 VanDerWaalsContact CA-OE1 3.28Å; P560-E564 WeakPolarHBondContact CA-OE1 3.36Å; P560-F566 HydrophobicContact CB-CE2 4.38Å; P560-I569 HydrophobicContact CB-CD1 4.12Å; P560-I569 HydrophobicContact CG-CD1 4.46Å; P560-I569 HydrophobicContact CG-CG2 4.27Å; P560-I569 WeakPolarHBondContact O-CD1 3.39Å
561	N	96.9	Very high	96.9	Very high	90 Å²	90	67.1 Å²	67.1	48%	0.481	38%	0.377	S	S	.	.			trans	-126.4	145.8	178.2	-163.2	-50.7	0	0	0	111.5	S563 E564	N561-S563 PolarHBondContact O-N 3.29Å; N561-S563 PolarHBondContact OD1-N 3.39Å; N561-S563 PolarHBondContact OD1-OG 2.63Å; N561-E564 PolarHBondContact N-OE1 2.89Å; N561-E564 WeakPolarHBondContact O-CB 3.36Å; N561-E564 WeakPolarHBondContact O-CG 3.34Å; N561-E564 PolarHBondContact O-N 3.06Å
562	V	96.5	Very high	97.1	Very high	85 Å²	85	62.7 Å²	62.7	52%	0.515	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-53.1	-33.1	172.5	174.7	0	0	0	0	111	E564 G565 F566 I569	V562-E564 PolarHBondContact O-N 2.83Å; V562-E564 VanDerWaalsContact O-N 3.08Å; V562-G565 PolarHBondContact O-N 2.85Å; V562-F566 PolarHBondContact O-N 2.9Å; V562-I569 HydrophobicContact CG2-CD1 4.19Å; V562-I569 HydrophobicContact CG2-CG1 4.2Å
563	S	96.9	Very high	97.1	Very high	103 Å²	103	61.8 Å²	61.8	72%	0.72	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-61.7	-12.9	175.4	68.2	0	0	0	0	115.2	N561	N561-S563 PolarHBondContact O-N 3.29Å; N561-S563 PolarHBondContact OD1-N 3.39Å; N561-S563 PolarHBondContact OD1-OG 2.63Å
564	E	97.3	Very high	96.9	Very high	49 Å²	49	62.4 Å²	62.4	23%	0.229	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-74.3	-16.5	170.3	-63.6	177.7	-128.2	0	0	112.6	R500 L504 P560 N561 V562 F566	R500-E564 IonicContact CZ-OE1 2.78Å; R500-E564 IonicContact CZ-OE2 2.83Å; R500-E564 IonicContact NE-OE1 3.68Å; R500-E564 PolarHBondContact NE-OE1 3.21Å; R500-E564 IonicContact NE-OE2 3.66Å; R500-E564 PolarHBondContact NE-OE2 2.86Å; R500-E564 IonicContact NH2-OE1 3.97Å; R500-E564 PolarHBondContact NH2-OE1 3.02Å; R500-E564 IonicContact NH2-OE2 3.67Å; R500-E564 PolarHBondContact NH2-OE2 3.45Å; L504-E564 HydrophobicContact CD1-CB 3.94Å; P560-E564 VanDerWaalsContact CA-OE1 3.28Å; P560-E564 WeakPolarHBondContact CA-OE1 3.36Å; N561-E564 PolarHBondContact N-OE1 2.89Å; N561-E564 WeakPolarHBondContact O-CB 3.36Å; N561-E564 WeakPolarHBondContact O-CG 3.34Å; N561-E564 PolarHBondContact O-N 3.06Å; V562-E564 PolarHBondContact O-N 2.83Å; V562-E564 VanDerWaalsContact O-N 3.08Å; E564-F566 HydrophobicContact CB-CD2 4.11Å; E564-F566 HydrophobicContact CB-CE2 4.18Å
565	G	96.7	Very high	96.7	Very high	53 Å²	53	58.3 Å²	58.3	55%	0.546	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	110.2	12.5	-175.9	0	0	0	0	0	114.7	L504 V562	L504-G565 VanDerWaalsContact CD2-C 3.46Å; L504-G565 WeakPolarHBondContact CD2-O 3.38Å; V562-G565 PolarHBondContact O-N 2.85Å
566	F	98	Very high	96.3	Very high	4 Å²	4	50.6 Å²	50.6	2%	0.018	30%	0.301	C	S	.	.			trans	-75.1	134.8	171.2	-68.5	-68.4	0	0	0	110.6	V438 R500 L504 C514 C516 P560 V562 E564 I569	V438-F566 HydrophobicContact CB-CE1 3.94Å; V438-F566 HydrophobicContact CB-CZ 4.32Å; V438-F566 HydrophobicContact CG1-CZ 4.48Å; V438-F566 HydrophobicContact CG2-CE1 3.99Å; R500-F566 HydrophobicContact CB-CE2 4.48Å; R500-F566 HydrophobicContact CB-CZ 4.14Å; R500-F566 HydrophobicContact CG-CZ 4.36Å; L504-F566 HydrophobicContact CD1-CD2 4.46Å; L504-F566 HydrophobicContact CD1-CE1 4.34Å; L504-F566 HydrophobicContact CD1-CE2 3.93Å; L504-F566 HydrophobicContact CD1-CZ 3.86Å; L504-F566 HydrophobicContact CD2-CD1 3.79Å; L504-F566 HydrophobicContact CD2-CD2 4.42Å; L504-F566 HydrophobicContact CD2-CE1 3.85Å; L504-F566 HydrophobicContact CD2-CE2 4.47Å; L504-F566 HydrophobicContact CD2-CG 4.09Å; L504-F566 HydrophobicContact CD2-CZ 4.19Å; L504-F566 HydrophobicContact CG-CE1 4.12Å; L504-F566 HydrophobicContact CG-CZ 4.13Å; C514-F566 HydrophobicContact CB-CD1 4.48Å; C514-F566 CarbonylContact O-C 3.59Å; C514-F566 VanDerWaalsContact O-CA 3.29Å; C514-F566 WeakPolarHBondContact O-CA 3.44Å; C516-F566 HydrophobicContact CB-CD1 3.73Å; C516-F566 HydrophobicContact CB-CD2 4.04Å; C516-F566 HydrophobicContact CB-CE1 3.79Å; C516-F566 HydrophobicContact CB-CE2 4.09Å; C516-F566 HydrophobicContact CB-CG 3.87Å; C516-F566 HydrophobicContact CB-CZ 3.97Å; P560-F566 HydrophobicContact CB-CE2 4.38Å; V562-F566 PolarHBondContact O-N 2.9Å; E564-F566 HydrophobicContact CB-CD2 4.11Å; E564-F566 HydrophobicContact CB-CE2 4.18Å; F566-I569 HydrophobicContact CB-CG1 4.2Å; F566-I569 HydrophobicContact CD2-CD1 4.46Å
567	S	96.4	Very high	95.8	Very high	78 Å²	78	55.8 Å²	55.8	55%	0.545	32%	0.323	S	S	.	.	S	Bend	trans	-77.2	-23.1	174.6	60.2	0	0	0	0	113.1	C514 R515	C514-S567 PolarHBondContact O-N 2.86Å; C514-S567 PolarHBondContact O-OG 3.42Å; R515-S567 WeakPolarHBondContact CG-OG 3.04Å
568	E	95.8	Very high	95.3	Very high	55 Å²	55	53.7 Å²	53.7	26%	0.257	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	150.5	177.6	-159	-172.9	-176.1	0	0	109.6	A427 R515 C516 L570	A427-E568 WeakPolarHBondContact CB-OE1 3.34Å; R515-E568 WeakPolarHBondContact CA-O 3.1Å; R515-E568 HydrophobicContact CB-CB 4.5Å; R515-E568 WeakPolarHBondContact CD-OE2 3.17Å; R515-E568 HydrophobicContact CG-CB 3.87Å; R515-E568 IonicContact CZ-OE2 3.74Å; R515-E568 IonicContact NE-OE2 2.66Å; R515-E568 IonicContact NH1-OE2 3.8Å; R515-E568 PolarHBondContact NH1-OE2 3.37Å; C516-E568 PolarHBondContact N-O 2.87Å; E568-L570 HydrophobicContact CB-CD1 4.3Å; E568-L570 HydrophobicContact CG-CD1 3.82Å; E568-L570 WeakPolarHBondContact OE2-CD1 3.22Å
569	I	97.5	Very high	94.7	Very high	38 Å²	38	58 Å²	58	20%	0.195	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	108.4	170.7	-53.2	-171.2	0	0	0	108.4	C516 L518 P560 V562 F566	C516-I569 HydrophobicContact CB-CB 4.36Å; C516-I569 HydrophobicContact CB-CG1 4.01Å; C516-I569 HydrophobicContact CB-CG2 4.08Å; C516-I569 CarbonylContact O-C 3.56Å; C516-I569 WeakPolarHBondContact O-CA 3.5Å; L518-I569 HydrophobicContact CB-CG2 4.26Å; P560-I569 HydrophobicContact CB-CD1 4.12Å; P560-I569 HydrophobicContact CG-CD1 4.46Å; P560-I569 HydrophobicContact CG-CG2 4.27Å; P560-I569 WeakPolarHBondContact O-CD1 3.39Å; V562-I569 HydrophobicContact CG2-CD1 4.19Å; V562-I569 HydrophobicContact CG2-CG1 4.2Å; F566-I569 HydrophobicContact CB-CG1 4.2Å; F566-I569 HydrophobicContact CD2-CD1 4.46Å
570	L	97.3	Very high	94.4	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	134.9	173.1	-70.1	72.5	0	0	0	108.8	F422 D423 A427 L429 C516 F517 L518 E568 I572	F422-L570 HydrophobicContact CD2-CD2 4.45Å; D423-L570 WeakPolarHBondContact O-CA 3.4Å; A427-L570 HydrophobicContact CB-CD2 3.72Å; A427-L570 HydrophobicContact CB-CG 3.89Å; L429-L570 HydrophobicContact CD2-CD2 3.92Å; C516-L570 PolarHBondContact O-N 3.41Å; F517-L570 HydrophobicContact CD1-CB 4.05Å; F517-L570 HydrophobicContact CD1-CD1 4.02Å; F517-L570 HydrophobicContact CD1-CD2 4.24Å; F517-L570 HydrophobicContact CD1-CG 4.34Å; F517-L570 HydrophobicContact CE1-CB 4.32Å; F517-L570 HydrophobicContact CE1-CD1 3.71Å; F517-L570 HydrophobicContact CE1-CD2 3.69Å; F517-L570 HydrophobicContact CE1-CG 4.13Å; F517-L570 HydrophobicContact CZ-CD2 4.02Å; L518-L570 PolarHBondContact N-O 3.31Å; E568-L570 HydrophobicContact CB-CD1 4.3Å; E568-L570 HydrophobicContact CG-CD1 3.82Å; E568-L570 WeakPolarHBondContact OE2-CD1 3.22Å; L570-I572 HydrophobicContact CB-CD1 4.01Å
571	Q	97.4	Very high	94.1	Very high	88 Å²	88	61.9 Å²	61.9	41%	0.411	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	121.3	167.1	-62.5	-169.2	25.7	0	0	108.3	F422 D423 L518 T520 H573	F422-Q571 CarbonylContact C-O 3.46Å; F422-Q571 WeakPolarHBondContact CA-O 3.35Å; F422-Q571 VanDerWaalsContact CB-O 3.27Å; F422-Q571 WeakPolarHBondContact CB-O 3.44Å; D423-Q571 HydrophobicContact CB-CB 4.43Å; D423-Q571 PolarHBondContact N-O 3.49Å; D423-Q571 PolarHBondContact O-N 3.27Å; L518-Q571 CarbonylContact O-C 3.57Å; L518-Q571 WeakPolarHBondContact O-CA 3.48Å; T520-Q571 HydrophobicContact CG2-CB 3.85Å; T520-Q571 HydrophobicContact CG2-CG 4.43Å; Q571-H573 PolarHBondContact OE1-NE2 2.64Å
572	I	97.1	Very high	93.8	Very high	1 Å²	1	65 Å²	65	1%	0.005	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	116.4	176.7	-46.6	-55.9	0	0	0	108.3	F422 L429 F450 F517 L518 F519 T520 L570	F422-I572 HydrophobicContact CB-CD1 3.69Å; L429-I572 HydrophobicContact CD2-CD1 4.45Å; F450-I572 HydrophobicContact CD2-CG2 3.71Å; F450-I572 HydrophobicContact CE1-CD1 4.2Å; F450-I572 HydrophobicContact CE1-CG1 4.45Å; F450-I572 HydrophobicContact CE1-CG2 4.34Å; F450-I572 HydrophobicContact CE2-CG2 3.43Å; F450-I572 VanDerWaalsContact CE2-CG2 3.43Å; F450-I572 HydrophobicContact CG-CG2 4.27Å; F450-I572 HydrophobicContact CZ-CD1 3.86Å; F450-I572 HydrophobicContact CZ-CG1 4.35Å; F450-I572 HydrophobicContact CZ-CG2 3.79Å; F517-I572 HydrophobicContact CB-CD1 4.37Å; F517-I572 HydrophobicContact CB-CG1 3.94Å; F517-I572 HydrophobicContact CD2-CD1 4.11Å; F517-I572 HydrophobicContact CD2-CG1 4.32Å; F517-I572 HydrophobicContact CG-CD1 4.17Å; F517-I572 HydrophobicContact CG-CG1 4.27Å; L518-I572 PolarHBondContact O-N 2.96Å; F519-I572 CarbonylContact C-O 3.52Å; F519-I572 WeakPolarHBondContact CA-O 3.31Å; F519-I572 HydrophobicContact CD1-CB 3.81Å; F519-I572 HydrophobicContact CD1-CG1 4.5Å; F519-I572 HydrophobicContact CD1-CG2 3.74Å; F519-I572 HydrophobicContact CD2-CB 4.42Å; F519-I572 HydrophobicContact CD2-CG1 4.4Å; F519-I572 HydrophobicContact CE1-CB 3.92Å; F519-I572 HydrophobicContact CE1-CG1 4.31Å; F519-I572 HydrophobicContact CE1-CG2 3.54Å; F519-I572 HydrophobicContact CE2-CG1 4.21Å; F519-I572 HydrophobicContact CG-CB 4.07Å; F519-I572 HydrophobicContact CZ-CB 4.29Å; F519-I572 HydrophobicContact CZ-CG1 4.16Å; F519-I572 HydrophobicContact CZ-CG2 4.16Å; T520-I572 PolarHBondContact N-O 2.86Å; L570-I572 HydrophobicContact CB-CD1 4.01Å
573	H	95.6	Very high	93.6	Very high	45 Å²	45	61.6 Å²	61.6	21%	0.208	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-82.3	153.6	-174.1	-65.6	-44.5	0	0	0	112.6	R420 L421 T520 Q571 V575	R420-H573 WeakPolarHBondContact O-CB 3.44Å; R420-H573 PolarHBondContact O-CD2 2.84Å; R420-H573 VanDerWaalsContact O-CD2 3.25Å; L421-H573 PolarHBondContact O-N 2.86Å; T520-H573 WeakPolarHBondContact CB-CE1 3.48Å; T520-H573 WeakPolarHBondContact CG2-CE1 3.33Å; T520-H573 PolarHBondContact OG1-CE1 2.82Å; T520-H573 PolarHBondContact OG1-ND1 3.1Å; T520-H573 VanDerWaalsContact OG1-ND1 3.16Å; Q571-H573 PolarHBondContact OE1-NE2 2.64Å; H573-V575 HydrophobicContact CB-CG2 4.15Å; H573-V575 PolarHBondContact O-N 3.29Å
574	F	94.5	Very high	93.4	Very high	23 Å²	23	59.8 Å²	59.8	10%	0.101	32%	0.316	C	S	.	.			trans	-81.8	71.1	-178.4	-174.6	-108.8	0	0	0	111.2	L415 A521 Q525 N529 F587	L415-F574 HydrophobicContact CD1-CD1 3.69Å; L415-F574 HydrophobicContact CD1-CE1 3.65Å; A521-F574 HydrophobicContact CB-CB 3.87Å; A521-F574 HydrophobicContact CB-CD2 3.67Å; A521-F574 HydrophobicContact CB-CG 3.87Å; Q525-F574 HydrophobicContact CB-CD1 3.67Å; Q525-F574 HydrophobicContact CB-CE1 3.65Å; Q525-F574 HydrophobicContact CB-CG 4.24Å; Q525-F574 HydrophobicContact CB-CZ 4.22Å; Q525-F574 VanDerWaalsContact CD-CD1 3.49Å; Q525-F574 HydrophobicContact CG-CD1 3.62Å; Q525-F574 HydrophobicContact CG-CE1 3.8Å; Q525-F574 HydrophobicContact CG-CG 4.49Å; N529-F574 HydrophobicContact CB-CE2 4.12Å; N529-F574 HydrophobicContact CB-CZ 3.9Å; F574-F587 AromaticContact CE1-CZ 3.92Å; F574-F587 HydrophobicContact CE1-CZ 3.92Å; F574-F587 HydrophobicContact CZ-CE2 4.36Å; F574-F587 AromaticContact CZ-CZ 3.84Å; F574-F587 HydrophobicContact CZ-CZ 3.84Å
575	V	92.7	Very high	93.2	Very high	35 Å²	35	61.2 Å²	61.2	21%	0.212	33%	0.328	C	S	.	.			trans	-100.8	109.3	176.7	-170.3	0	0	0	0	108.7	C419 L421 H573	C419-V575 HydrophobicContact CB-CG2 4.22Å; L421-V575 HydrophobicContact CD1-CB 4.25Å; H573-V575 HydrophobicContact CB-CG2 4.15Å; H573-V575 PolarHBondContact O-N 3.29Å
576	P	88	Confident	93.2	Very high	19 Å²	19	59.8 Å²	59.8	12%	0.123	31%	0.308	C	S	.	.			trans	-81.3	136.6	-178.8	33	-34.4	0	0	0	111.1	L415 F578 F587	L415-P576 HydrophobicContact CD1-CG 4.41Å; L415-P576 HydrophobicContact CD2-CG 3.74Å; P576-F578 HydrophobicContact CB-CE1 3.89Å; P576-F578 HydrophobicContact CB-CE2 4.4Å; P576-F578 HydrophobicContact CB-CZ 3.64Å; P576-F578 HydrophobicContact CG-CE1 4.37Å; P576-F578 HydrophobicContact CG-CE2 4.17Å; P576-F578 HydrophobicContact CG-CZ 3.62Å; P576-F587 HydrophobicContact CB-CE1 4.19Å; P576-F587 HydrophobicContact CB-CE2 4.06Å; P576-F587 HydrophobicContact CB-CZ 3.82Å; P576-F587 HydrophobicContact CG-CD1 4.44Å; P576-F587 HydrophobicContact CG-CE1 3.84Å; P576-F587 HydrophobicContact CG-CZ 3.92Å
577	H	86.1	Confident	93	Very high	179 Å²	179	59.7 Å²	59.7	83%	0.829	31%	0.308	S	S	*	.			trans	-108.8	126.8	172.5	-174.4	-62.8	0	0	0	109.7
578	F	88	Confident	93	Very high	31 Å²	31	59 Å²	59	14%	0.136	29%	0.293	C	S	.	.			trans	-100.5	155.7	-179.2	-52.3	-61.2	0	0	0	111.3	F532 P576 E584 F587	F532-F578 HydrophobicContact CZ-CD1 4.43Å; P576-F578 HydrophobicContact CB-CE1 3.89Å; P576-F578 HydrophobicContact CB-CE2 4.4Å; P576-F578 HydrophobicContact CB-CZ 3.64Å; P576-F578 HydrophobicContact CG-CE1 4.37Å; P576-F578 HydrophobicContact CG-CE2 4.17Å; P576-F578 HydrophobicContact CG-CZ 3.62Å; F578-E584 HydrophobicContact CB-CB 4.15Å; F578-E584 HydrophobicContact CD1-CB 4.43Å; F578-E584 HydrophobicContact CD2-CB 3.47Å; F578-E584 VanDerWaalsContact CD2-CB 3.47Å; F578-E584 HydrophobicContact CD2-CG 3.6Å; F578-E584 HydrophobicContact CE2-CB 3.97Å; F578-E584 HydrophobicContact CE2-CG 3.66Å; F578-E584 HydrophobicContact CG-CB 3.74Å; F578-E584 HydrophobicContact CG-CG 4.36Å; F578-E584 HydrophobicContact CZ-CG 4.46Å; F578-F587 HydrophobicContact CD1-CB 4.29Å; F578-F587 HydrophobicContact CE1-CB 3.35Å; F578-F587 AromaticContact CE1-CD1 3.98Å; F578-F587 HydrophobicContact CE1-CD1 3.98Å; F578-F587 AromaticContact CE1-CD2 3.67Å; F578-F587 HydrophobicContact CE1-CD2 3.67Å; F578-F587 HydrophobicContact CE1-CE2 4.43Å; F578-F587 AromaticContact CE1-CG 3.4Å; F578-F587 HydrophobicContact CE1-CG 3.4Å; F578-F587 VanDerWaalsContact CE1-CG 3.4Å; F578-F587 HydrophobicContact CZ-CB 3.68Å; F578-F587 AromaticContact CZ-CD1 3.63Å; F578-F587 HydrophobicContact CZ-CD1 3.63Å; F578-F587 HydrophobicContact CZ-CD2 4.17Å; F578-F587 HydrophobicContact CZ-CE1 4.28Å; F578-F587 AromaticContact CZ-CG 3.56Å; F578-F587 HydrophobicContact CZ-CG 3.56Å
579	K	85.5	Confident	93.1	Very high	168 Å²	168	57 Å²	57	73%	0.73	28%	0.284	S	S	*	.	S	Bend	trans	-84.9	-25.3	174.1	-66.1	178.7	-179.8	174.9	0	112.4
580	D	90.3	Very high	93.1	Very high	69 Å²	69	55.5 Å²	55.5	37%	0.369	28%	0.276	S	S	.	.	S	Bend	trans	-165.4	165.3	-165	66.9	89.2	0	0	0	109.6	Q582 S583 E584	D580-Q582 VanDerWaalsContact C-N 3.35Å; D580-Q582 PolarHBondContact O-N 2.84Å; D580-Q582 VanDerWaalsContact OD1-CA 3.3Å; D580-Q582 WeakPolarHBondContact OD1-CA 3.2Å; D580-Q582 VanDerWaalsContact OD1-CB 3.23Å; D580-Q582 WeakPolarHBondContact OD1-CB 3.09Å; D580-Q582 PolarHBondContact OD1-N 2.86Å; D580-S583 WeakPolarHBondContact O-CB 3.29Å; D580-S583 PolarHBondContact O-N 2.73Å; D580-S583 PolarHBondContact OD1-N 3.11Å; D580-S583 VanDerWaalsContact OD2-CB 3.25Å; D580-S583 WeakPolarHBondContact OD2-CB 3.44Å; D580-S583 PolarHBondContact OD2-OG 2.97Å; D580-E584 PolarHBondContact O-N 3.05Å
581	S	91.1	Very high	92.9	Very high	87 Å²	87	56.4 Å²	56.4	61%	0.608	28%	0.282	S	S	*	.	H	α-helix	trans	-73.6	-19.5	-177.2	55.2	0	0	0	0	114.5	T585	S581-T585 VanDerWaalsContact O-CB 3.28Å; S581-T585 WeakPolarHBondContact O-CB 3.13Å; S581-T585 PolarHBondContact O-N 2.91Å; S581-T585 PolarHBondContact O-OG1 3.02Å
582	Q	91	Very high	92.5	Very high	156 Å²	156	56.5 Å²	56.5	73%	0.729	28%	0.283	S	S	*	.	H	α-helix	trans	-75.5	-41.6	174.2	-52.2	-176.8	-4.1	0	0	110.2	D580 E584 T585 L586	D580-Q582 VanDerWaalsContact C-N 3.35Å; D580-Q582 PolarHBondContact O-N 2.84Å; D580-Q582 VanDerWaalsContact OD1-CA 3.3Å; D580-Q582 WeakPolarHBondContact OD1-CA 3.2Å; D580-Q582 VanDerWaalsContact OD1-CB 3.23Å; D580-Q582 WeakPolarHBondContact OD1-CB 3.09Å; D580-Q582 PolarHBondContact OD1-N 2.86Å; Q582-E584 VanDerWaalsContact C-N 3.35Å; Q582-T585 PolarHBondContact O-N 2.93Å; Q582-L586 WeakPolarHBondContact O-CB 3.31Å; Q582-L586 PolarHBondContact O-N 2.96Å
583	S	92.1	Very high	91.1	Very high	12 Å²	12	58.6 Å²	58.6	8%	0.084	30%	0.304	C	S	.	.	H	α-helix	trans	-57.3	-45.4	170.1	-73.1	0	0	0	0	111.5	F532 D580 L586 F587	F532-S583 VanDerWaalsContact CE2-O 3.24Å; F532-S583 WeakPolarHBondContact CE2-O 3.49Å; D580-S583 WeakPolarHBondContact O-CB 3.29Å; D580-S583 PolarHBondContact O-N 2.73Å; D580-S583 PolarHBondContact OD1-N 3.11Å; D580-S583 VanDerWaalsContact OD2-CB 3.25Å; D580-S583 WeakPolarHBondContact OD2-CB 3.44Å; D580-S583 PolarHBondContact OD2-OG 2.97Å; S583-L586 PolarHBondContact O-N 2.83Å; S583-F587 WeakPolarHBondContact O-CB 3.34Å; S583-F587 PolarHBondContact O-N 2.96Å
584	E	93.6	Very high	90.8	Very high	66 Å²	66	59.3 Å²	59.3	31%	0.308	31%	0.309	S	S	.	.	H	α-helix	trans	-62.6	-47.2	173.9	-179.5	166.5	-170.1	0	0	111.9	F578 D580 Q582 L586 F587 R588	F578-E584 HydrophobicContact CB-CB 4.15Å; F578-E584 HydrophobicContact CD1-CB 4.43Å; F578-E584 HydrophobicContact CD2-CB 3.47Å; F578-E584 VanDerWaalsContact CD2-CB 3.47Å; F578-E584 HydrophobicContact CD2-CG 3.6Å; F578-E584 HydrophobicContact CE2-CB 3.97Å; F578-E584 HydrophobicContact CE2-CG 3.66Å; F578-E584 HydrophobicContact CG-CB 3.74Å; F578-E584 HydrophobicContact CG-CG 4.36Å; F578-E584 HydrophobicContact CZ-CG 4.46Å; D580-E584 PolarHBondContact O-N 3.05Å; Q582-E584 VanDerWaalsContact C-N 3.35Å; E584-L586 PolarHBondContact O-N 2.98Å; E584-F587 PolarHBondContact O-N 2.84Å; E584-F587 VanDerWaalsContact O-N 3.11Å; E584-R588 HydrophobicContact CG-CG 4.3Å; E584-R588 PolarHBondContact O-N 2.93Å; E584-R588 IonicContact OE1-CZ 2.83Å; E584-R588 IonicContact OE1-NE 2.72Å; E584-R588 PolarHBondContact OE1-NE 3.42Å; E584-R588 IonicContact OE1-NH2 3.7Å; E584-R588 PolarHBondContact OE1-NH2 3.16Å
585	T	93.6	Very high	90.7	Very high	78 Å²	78	61.2 Å²	61.2	48%	0.479	32%	0.32	S	S	.	.	H	α-helix	trans	-62.5	-30.9	178.8	-59.4	0	0	0	0	112.2	M332 S581 Q582 Q589	M332-T585 HydrophobicContact CE-CG2 4.47Å; S581-T585 VanDerWaalsContact O-CB 3.28Å; S581-T585 WeakPolarHBondContact O-CB 3.13Å; S581-T585 PolarHBondContact O-N 2.91Å; S581-T585 PolarHBondContact O-OG1 3.02Å; Q582-T585 PolarHBondContact O-N 2.93Å; T585-Q589 WeakPolarHBondContact O-CG 3.46Å; T585-Q589 PolarHBondContact O-NE2 2.9Å
586	L	94.9	Very high	90.5	Very high	24 Å²	24	62.6 Å²	62.6	13%	0.126	33%	0.326	C	S	.	.	H	α-helix	trans	-75.4	-37	173.5	-178.8	62.1	0	0	0	112.3	V326 V331 F532 M535 Q582 S583 E584	V326-L586 HydrophobicContact CG1-CD1 4.37Å; V331-L586 HydrophobicContact CG1-CD1 3.85Å; F532-L586 HydrophobicContact CD2-CB 4.48Å; F532-L586 HydrophobicContact CD2-CD2 4.24Å; F532-L586 HydrophobicContact CD2-CG 4.1Å; F532-L586 HydrophobicContact CE2-CB 4.23Å; F532-L586 HydrophobicContact CE2-CD2 4.17Å; F532-L586 HydrophobicContact CE2-CG 4.22Å; M535-L586 HydrophobicContact CB-CD2 4.06Å; M535-L586 HydrophobicContact CE-CD1 4.11Å; Q582-L586 WeakPolarHBondContact O-CB 3.31Å; Q582-L586 PolarHBondContact O-N 2.96Å; S583-L586 PolarHBondContact O-N 2.83Å; E584-L586 PolarHBondContact O-N 2.98Å
587	F	95.3	Very high	90.7	Very high	2 Å²	2	65.2 Å²	65.2	1%	0.009	34%	0.338	C	S	.	.	H	α-helix	trans	-70.8	-42.6	176.3	-170.4	-80.3	0	0	0	111.9	P412 L415 H528 F532 F574 P576 F578 S583 E584 Q589	P412-F587 WeakPolarHBondContact CB-O 3.44Å; L415-F587 HydrophobicContact CD1-CE1 4.16Å; L415-F587 HydrophobicContact CD1-CZ 4.5Å; H528-F587 AromaticContact CD2-CE1 3.95Å; H528-F587 AromaticContact CD2-CE2 3.92Å; H528-F587 AromaticContact CD2-CZ 3.7Å; H528-F587 PolarHBondContact NE2-O 3.27Å; F532-F587 HydrophobicContact CB-CD2 4.04Å; F532-F587 AromaticContact CD1-CD2 3.77Å; F532-F587 HydrophobicContact CD1-CD2 3.77Å; F532-F587 HydrophobicContact CD1-CE2 4.4Å; F532-F587 HydrophobicContact CD2-CB 3.89Å; F532-F587 HydrophobicContact CD2-CD2 4Å; F532-F587 HydrophobicContact CD2-CG 4.43Å; F532-F587 HydrophobicContact CE1-CD2 4.23Å; F532-F587 HydrophobicContact CE2-CB 3.95Å; F532-F587 HydrophobicContact CE2-CD2 4.45Å; F532-F587 HydrophobicContact CG-CB 4.42Å; F532-F587 AromaticContact CG-CD2 3.65Å; F532-F587 HydrophobicContact CG-CD2 3.65Å; F532-F587 HydrophobicContact CG-CE2 4.48Å; F532-F587 HydrophobicContact CG-CG 4.49Å; F574-F587 AromaticContact CE1-CZ 3.92Å; F574-F587 HydrophobicContact CE1-CZ 3.92Å; F574-F587 HydrophobicContact CZ-CE2 4.36Å; F574-F587 AromaticContact CZ-CZ 3.84Å; F574-F587 HydrophobicContact CZ-CZ 3.84Å; P576-F587 HydrophobicContact CB-CE1 4.19Å; P576-F587 HydrophobicContact CB-CE2 4.06Å; P576-F587 HydrophobicContact CB-CZ 3.82Å; P576-F587 HydrophobicContact CG-CD1 4.44Å; P576-F587 HydrophobicContact CG-CE1 3.84Å; P576-F587 HydrophobicContact CG-CZ 3.92Å; F578-F587 HydrophobicContact CD1-CB 4.29Å; F578-F587 HydrophobicContact CE1-CB 3.35Å; F578-F587 AromaticContact CE1-CD1 3.98Å; F578-F587 HydrophobicContact CE1-CD1 3.98Å; F578-F587 AromaticContact CE1-CD2 3.67Å; F578-F587 HydrophobicContact CE1-CD2 3.67Å; F578-F587 HydrophobicContact CE1-CE2 4.43Å; F578-F587 AromaticContact CE1-CG 3.4Å; F578-F587 HydrophobicContact CE1-CG 3.4Å; F578-F587 VanDerWaalsContact CE1-CG 3.4Å; F578-F587 HydrophobicContact CZ-CB 3.68Å; F578-F587 AromaticContact CZ-CD1 3.63Å; F578-F587 HydrophobicContact CZ-CD1 3.63Å; F578-F587 HydrophobicContact CZ-CD2 4.17Å; F578-F587 HydrophobicContact CZ-CE1 4.28Å; F578-F587 AromaticContact CZ-CG 3.56Å; F578-F587 HydrophobicContact CZ-CG 3.56Å; S583-F587 WeakPolarHBondContact O-CB 3.34Å; S583-F587 PolarHBondContact O-N 2.96Å; E584-F587 PolarHBondContact O-N 2.84Å; E584-F587 VanDerWaalsContact O-N 3.11Å; F587-Q589 PolarHBondContact O-N 2.89Å
588	R	96	Very high	91	Very high	62 Å²	62	58.1 Å²	58.1	23%	0.234	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-5	179.3	-66.6	-169.4	-173.1	-74.2	-7.2	114	R413 L415 S417 E584	R413-R588 WeakPolarHBondContact CG-O 3.41Å; R413-R588 PolarHBondContact O-NH1 3.23Å; L415-R588 PolarHBondContact O-NH1 2.92Å; S417-R588 PolarHBondContact OG-NH2 2.85Å; E584-R588 HydrophobicContact CG-CG 4.3Å; E584-R588 PolarHBondContact O-N 2.93Å; E584-R588 IonicContact OE1-CZ 2.83Å; E584-R588 IonicContact OE1-NE 2.72Å; E584-R588 PolarHBondContact OE1-NE 3.42Å; E584-R588 IonicContact OE1-NH2 3.7Å; E584-R588 PolarHBondContact OE1-NH2 3.16Å
589	Q	97	Very high	91.2	Very high	14 Å²	14	59.9 Å²	59.9	7%	0.065	32%	0.319	C	S	.	.	S	Bend	trans	-79.8	141.6	171.3	-76.3	167.8	64.8	0	0	112.4	M332 N385 P412 H528 T585 F587 S591	M332-Q589 VanDerWaalsContact CE-CD 3.47Å; M332-Q589 HydrophobicContact CE-CG 3.95Å; M332-Q589 VanDerWaalsContact CE-NE2 3.35Å; M332-Q589 HydrophobicContact CG-CG 4.44Å; N385-Q589 HydrophobicContact CB-CG 4.17Å; N385-Q589 WeakPolarHBondContact OD1-CA 3.34Å; P412-Q589 WeakPolarHBondContact CG-O 3.44Å; H528-Q589 PolarHBondContact NE2-O 3.14Å; T585-Q589 WeakPolarHBondContact O-CG 3.46Å; T585-Q589 PolarHBondContact O-NE2 2.9Å; F587-Q589 PolarHBondContact O-N 2.89Å; Q589-S591 PolarHBondContact O-N 3.16Å
590	F	97.4	Very high	91.6	Very high	6 Å²	6	52.1 Å²	52.1	3%	0.026	29%	0.289	C	S	.	.			trans	-58.5	128	160.3	-69.7	-87.3	0	0	0	109.5	P330 L381 L384 N385 P408 D411 P412	P330-F590 HydrophobicContact CB-CB 4.4Å; P330-F590 HydrophobicContact CG-CB 4.18Å; P330-F590 WeakPolarHBondContact CG-O 3.38Å; L381-F590 HydrophobicContact CB-CB 4.07Å; L381-F590 HydrophobicContact CB-CG 4.36Å; L381-F590 HydrophobicContact CD1-CB 4.13Å; L381-F590 HydrophobicContact CD1-CD1 4.01Å; L381-F590 HydrophobicContact CD1-CG 4.13Å; L381-F590 HydrophobicContact CD2-CB 4.4Å; L381-F590 HydrophobicContact CD2-CD1 3.91Å; L381-F590 HydrophobicContact CD2-CD2 3.78Å; L381-F590 HydrophobicContact CD2-CE1 4.05Å; L381-F590 HydrophobicContact CD2-CE2 3.93Å; L381-F590 HydrophobicContact CD2-CG 3.77Å; L381-F590 HydrophobicContact CD2-CZ 4.06Å; L381-F590 HydrophobicContact CG-CB 4.42Å; L381-F590 HydrophobicContact CG-CG 4.29Å; L384-F590 HydrophobicContact CD2-CD2 4.36Å; L384-F590 HydrophobicContact CD2-CE2 3.75Å; L384-F590 HydrophobicContact CD2-CZ 4.44Å; L384-F590 HydrophobicContact CG-CE2 4.5Å; N385-F590 PolarHBondContact ND2-N 2.89Å; N385-F590 PolarHBondContact ND2-O 3.28Å; N385-F590 WeakPolarHBondContact OD1-CD2 3.41Å; N385-F590 PolarHBondContact OD1-N 2.83Å; P408-F590 HydrophobicContact CB-CE1 4.43Å; P408-F590 HydrophobicContact CG-CD1 4.19Å; P408-F590 HydrophobicContact CG-CE1 4.12Å; D411-F590 HydrophobicContact CB-CZ 4.08Å; D411-F590 WeakPolarHBondContact OD1-CZ 3.22Å; P412-F590 HydrophobicContact CG-CD1 4.39Å; P412-F590 HydrophobicContact CG-CG 4.4Å
591	S	93.6	Very high	91.7	Very high	19 Å²	19	50.8 Å²	50.8	13%	0.133	28%	0.283	C	S	.	.			trans	-110.7	-3.2	-175.9	65.3	0	0	0	0	114.3	H528 Q589	H528-S591 WeakPolarHBondContact CE1-CB 3.47Å; H528-S591 PolarHBondContact CE1-OG 3.25Å; H528-S591 PolarHBondContact ND1-OG 2.76Å; Q589-S591 PolarHBondContact O-N 3.16Å
592	E	90.2	Very high	91.7	Very high	91 Å²	91	47.8 Å²	47.8	43%	0.425	26%	0.256	S	S	.	.			trans	-150.2	156	173.9	177.9	161.7	-100.4	0	0	107.8	L381 R531	L381-E592 WeakPolarHBondContact CD1-O 3.4Å; R531-E592 IonicContact CZ-OE1 3.16Å; R531-E592 VanDerWaalsContact CZ-OE1 3.24Å; R531-E592 IonicContact CZ-OE2 3.46Å; R531-E592 IonicContact NE-OE1 3.67Å; R531-E592 VanDerWaalsContact NH1-CD 3.28Å; R531-E592 IonicContact NH1-OE1 2.89Å; R531-E592 IonicContact NH1-OE2 2.79Å; R531-E592 PolarHBondContact NH1-OE2 3.25Å; R531-E592 IonicContact NH2-OE1 2.65Å; R531-E592 PolarHBondContact NH2-OE1 2.93Å; R531-E592 IonicContact NH2-OE2 2.66Å; R531-E592 PolarHBondContact NH2-OE2 3.42Å
593	G	66.3	Low	91.8	Very high	44 Å²	44	38 Å²	38	45%	0.454	21%	0.213	S	C	.	.			trans	-158.7	0	176	0	0	0	0	0	110.3	S376 C377	S376-G593 VanDerWaalsContact CA-OXT 3.28Å; S376-G593 WeakPolarHBondContact CA-OXT 3.45Å; S376-G593 WeakPolarHBondContact CB-O 3.38Å; S376-G593 PolarHBondContact OG-O 3.01Å; S376-G593 PolarHBondContact OG-OXT 3.06Å; C377-G593 PolarHBondContact N-OXT 2.91Å

Retrieved 593 of 593 residues in 445 ms (Link to these results)

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