YAHK_ECOLI Loading...

Aldehyde reductase YahK

Catalyzes the reduction of a wide range of aldehydes into their corresponding alcohols. Has a strong preference for NADPH over NADH as the electron donor. Cannot use a ketone as substrate. Is a major source of NADPH-dependent aldehyde reductase activity in E.coli. The in vivo functions of YahK has yet to be determined.

AlphaFold DB , UniProt , Accession P75691, Species ECOLI (Escherichia coli (strain K12)), Gene yahK, Length 349 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	66.5	Low	94.5	Very high	203 Å²	203	59.2 Å²	59.2	100%	1	29%	0.291	S	S	*	.				0	138	0	-166.2	171.7	-172.6	0	0	107.4
2	K	89.6	Confident	94.6	Very high	150 Å²	150	70.9 Å²	70.9	65%	0.652	34%	0.339	S	S	*	.			trans	-76.3	129.9	178	-71	-169.9	163.5	-161.3	0	109.8	D19	K2-D19 HydrophobicContact CB-CB 4.23Å; K2-D19 HydrophobicContact CD-CB 3.93Å; K2-D19 VanDerWaalsContact CD-OD2 3.24Å; K2-D19 WeakPolarHBondContact CD-OD2 3.43Å; K2-D19 HydrophobicContact CG-CB 4.38Å; K2-D19 IonicContact NZ-OD2 2.92Å; K2-D19 PolarHBondContact NZ-OD2 3.1Å
3	I	98	Very high	94.6	Very high	9 Å²	9	72 Å²	72	5%	0.046	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	129.9	-178.3	-68.9	162.6	0	0	0	107.8	D19 I20 R22 Q131 Q132	I3-D19 WeakPolarHBondContact O-CA 3.45Å; I3-I20 HydrophobicContact CB-CG1 4.06Å; I3-I20 HydrophobicContact CG2-CD1 4.45Å; I3-I20 HydrophobicContact CG2-CG1 4.09Å; I3-I20 PolarHBondContact N-O 2.7Å; I3-I20 WeakPolarHBondContact O-CG1 3.45Å; I3-I20 PolarHBondContact O-N 2.96Å; I3-R22 HydrophobicContact CD1-CB 3.73Å; I3-R22 HydrophobicContact CD1-CG 3.39Å; I3-Q131 HydrophobicContact CG2-CB 4.07Å; I3-Q132 HydrophobicContact CD1-CB 4.15Å; I3-Q132 HydrophobicContact CG2-CB 4.3Å
4	K	98.6	Very high	94.8	Very high	88 Å²	88	73.2 Å²	73.2	38%	0.383	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	141.9	178.1	-58.6	-63.6	-176.3	177.8	0	110.9	D19 S130 Q131 L347	K4-D19 WeakPolarHBondContact CD-OD1 3.47Å; K4-D19 WeakPolarHBondContact CE-OD1 3.48Å; K4-D19 IonicContact NZ-OD1 2.8Å; K4-D19 PolarHBondContact NZ-OD1 3.42Å; K4-S130 WeakPolarHBondContact O-CA 3.38Å; K4-Q131 HydrophobicContact CB-CG 3.92Å; K4-Q131 VanDerWaalsContact CB-OE1 3.31Å; K4-Q131 PolarHBondContact O-N 2.95Å; K4-L347 HydrophobicContact CB-CB 4.15Å
5	A	98.8	Very high	95.1	Very high	2 Å²	2	69.1 Å²	69.1	2%	0.017	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	170.7	176.2	0	0	0	0	0	111	P17 M18 I20 V59 Y129	A5-P17 CarbonylContact O-C 3.57Å; A5-P17 WeakPolarHBondContact O-CA 3.34Å; A5-M18 HydrophobicContact CB-CG 4.11Å; A5-M18 PolarHBondContact N-O 2.91Å; A5-M18 PolarHBondContact O-N 3.41Å; A5-I20 HydrophobicContact CB-CD1 3.97Å; A5-I20 HydrophobicContact CB-CG1 4.06Å; A5-I20 HydrophobicContact CB-CG2 3.97Å; A5-V59 HydrophobicContact CB-CG1 4.2Å; A5-V59 HydrophobicContact CB-CG2 4.3Å; A5-Y129 CarbonylContact C-O 3.46Å; A5-Y129 WeakPolarHBondContact CA-O 3.06Å; A5-Y129 VanDerWaalsContact CB-O 3.29Å; A5-Y129 WeakPolarHBondContact CB-O 3.41Å
6	V	98.8	Very high	95.3	Very high	8 Å²	8	69.6 Å²	69.6	5%	0.048	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	128.7	168.9	172.1	0	0	0	0	108.2	L15 E16 Y129 A321 I324 L347	V6-L15 HydrophobicContact CG1-CB 3.65Å; V6-L15 HydrophobicContact CG1-CD1 4.29Å; V6-L15 HydrophobicContact CG1-CD2 4.46Å; V6-L15 HydrophobicContact CG1-CG 4.38Å; V6-E16 WeakPolarHBondContact CA-O 3.29Å; V6-Y129 PolarHBondContact N-O 3.33Å; V6-Y129 WeakPolarHBondContact O-CB 3.28Å; V6-A321 HydrophobicContact CG2-CB 4.11Å; V6-I324 HydrophobicContact CB-CD1 4.19Å; V6-I324 HydrophobicContact CG1-CD1 3.9Å; V6-L347 HydrophobicContact CG2-CD2 3.69Å
7	G	98.6	Very high	95.4	Very high	0 Å²	0	71.9 Å²	71.9	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	176.8	-174.9	0	0	0	0	0	112.7	L15 E16 M18 C58	G7-L15 CarbonylContact O-C 3.49Å; G7-L15 WeakPolarHBondContact O-CA 3.31Å; G7-E16 PolarHBondContact N-O 2.87Å; G7-E16 PolarHBondContact O-N 3.44Å; G7-M18 WeakPolarHBondContact O-CE 3.37Å; G7-C58 CarbonylContact C-O 3.52Å; G7-C58 WeakPolarHBondContact CA-O 3.3Å
8	A	98.6	Very high	95.6	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	35%	0.346	C	S	.	.	B	Isolated β-bridge	trans	-112.2	147.6	176.6	0	0	0	0	0	110.7	L15 V47 Y56 P57 C58	A8-L15 HydrophobicContact CB-CD2 4.12Å; A8-V47 HydrophobicContact CB-CB 4.28Å; A8-V47 HydrophobicContact CB-CG1 4.39Å; A8-Y56 HydrophobicContact CB-CE1 4.27Å; A8-Y56 WeakPolarHBondContact O-CD1 3.32Å; A8-P57 CarbonylContact O-C 3.6Å; A8-P57 WeakPolarHBondContact O-CA 3.33Å; A8-C58 PolarHBondContact N-O 3.19Å; A8-C58 PolarHBondContact O-N 2.74Å
9	Y	98.3	Very high	95.7	Very high	109 Å²	109	68.3 Å²	68.3	43%	0.427	35%	0.346	S	S	.	.	S	Bend	trans	-99	-15.1	172	-69.1	-76.6	0	0	0	113.6	E16 M18 Y56 P57	Y9-E16 HydrophobicContact CD2-CG 4.05Å; Y9-E16 WeakPolarHBondContact CD2-OE1 3.47Å; Y9-E16 HydrophobicContact CE2-CG 3.86Å; Y9-M18 HydrophobicContact CD2-CE 4.33Å; Y9-M18 HydrophobicContact CE1-CE 4.34Å; Y9-M18 HydrophobicContact CE2-CE 3.84Å; Y9-Y56 WeakPolarHBondContact O-CB 3.26Å; Y9-P57 HydrophobicContact CD1-CB 3.98Å; Y9-P57 HydrophobicContact CE1-CB 3.97Å
10	S	97.4	Very high	95.9	Very high	39 Å²	39	65.5 Å²	65.5	27%	0.273	33%	0.332	S	S	.	.	S	Bend	trans	-159.1	164.1	173	68.9	0	0	0	0	111.2	K12 Q13 Y56	S10-K12 PolarHBondContact O-N 3.01Å; S10-Q13 PolarHBondContact O-N 3.34Å; S10-Q13 VanDerWaalsContact O-N 3.13Å; S10-Q13 WeakPolarHBondContact OG-CG 3.41Å; S10-Q13 PolarHBondContact OG-OE1 3.31Å; S10-Y56 VanDerWaalsContact CA-CE1 3.49Å
11	A	96.5	Very high	96	Very high	43 Å²	43	65.1 Å²	65.1	36%	0.355	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-17.2	-179.4	0	0	0	0	0	115.1	V47 Y56	A11-V47 WeakPolarHBondContact CA-O 3.39Å; A11-Y56 VanDerWaalsContact CA-OH 3.26Å; A11-Y56 WeakPolarHBondContact CA-OH 3.22Å; A11-Y56 WeakPolarHBondContact CB-OH 3.36Å; A11-Y56 PolarHBondContact N-OH 2.68Å
12	K	95.1	Very high	97.5	Very high	200 Å²	200	57.6 Å²	57.6	87%	0.87	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.9	-5.6	-175.7	-68.7	175.4	179.4	-78	0	113	S10	S10-K12 PolarHBondContact O-N 3.01Å
13	Q	95.4	Very high	97.9	Very high	85 Å²	85	54 Å²	54	40%	0.397	28%	0.275	S	S	.	.	S	Bend	trans	-95.6	140.4	179.7	-77.3	170.2	-66.8	0	0	110.1	S10	S10-Q13 PolarHBondContact O-N 3.34Å; S10-Q13 VanDerWaalsContact O-N 3.13Å; S10-Q13 WeakPolarHBondContact OG-CG 3.41Å; S10-Q13 PolarHBondContact OG-OE1 3.31Å
14	P	97.1	Very high	97.9	Very high	89 Å²	89	60 Å²	60	58%	0.578	30%	0.303	S	S	*	.	P	Polyproline II helix	trans	-57.2	160.8	165.1	-20.5	32.8	0	0	0	111.1
15	L	98.6	Very high	97.9	Very high	11 Å²	11	57.7 Å²	57.7	6%	0.058	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-63.4	136.2	166.7	-71.3	174.9	0	0	0	110.1	V6 G7 A8 V47 Y129 I324 N325 Y328	V6-L15 HydrophobicContact CG1-CB 3.65Å; V6-L15 HydrophobicContact CG1-CD1 4.29Å; V6-L15 HydrophobicContact CG1-CD2 4.46Å; V6-L15 HydrophobicContact CG1-CG 4.38Å; G7-L15 CarbonylContact O-C 3.49Å; G7-L15 WeakPolarHBondContact O-CA 3.31Å; A8-L15 HydrophobicContact CB-CD2 4.12Å; L15-V47 HydrophobicContact CD2-CG1 4.03Å; L15-Y129 HydrophobicContact CD1-CD2 4.4Å; L15-Y129 HydrophobicContact CD1-CE2 4.17Å; L15-I324 HydrophobicContact CD1-CB 3.85Å; L15-I324 HydrophobicContact CD1-CD1 4.47Å; L15-I324 HydrophobicContact CD1-CG2 3.36Å; L15-N325 WeakPolarHBondContact CB-OD1 3.44Å; L15-N325 PolarHBondContact N-OD1 2.88Å; L15-N325 PolarHBondContact O-ND2 3.39Å; L15-Y328 HydrophobicContact CD1-CD2 4.34Å; L15-Y328 HydrophobicContact CD1-CE2 3.46Å; L15-Y328 VanDerWaalsContact CD1-CE2 3.46Å; L15-Y328 HydrophobicContact CG-CE2 4.21Å
16	E	98.4	Very high	97.9	Very high	77 Å²	77	58.7 Å²	58.7	36%	0.36	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	156	177.7	63.6	-177.4	106.8	0	0	111.7	V6 G7 Y9	V6-E16 WeakPolarHBondContact CA-O 3.29Å; G7-E16 PolarHBondContact N-O 2.87Å; G7-E16 PolarHBondContact O-N 3.44Å; Y9-E16 HydrophobicContact CD2-CG 4.05Å; Y9-E16 WeakPolarHBondContact CD2-OE1 3.47Å; Y9-E16 HydrophobicContact CE2-CG 3.86Å
17	P	98.3	Very high	97.9	Very high	109 Å²	109	61.4 Å²	61.4	71%	0.708	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.7	139.8	173.7	-23.7	34.3	0	0	0	112.2	A5	A5-P17 CarbonylContact O-C 3.57Å; A5-P17 WeakPolarHBondContact O-CA 3.34Å
18	M	98.3	Very high	97.9	Very high	10 Å²	10	64.3 Å²	64.3	5%	0.049	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	161	176.4	60.6	-178.7	60	0	0	111.9	A5 G7 Y9 I20 P57 V59	A5-M18 HydrophobicContact CB-CG 4.11Å; A5-M18 PolarHBondContact N-O 2.91Å; A5-M18 PolarHBondContact O-N 3.41Å; G7-M18 WeakPolarHBondContact O-CE 3.37Å; Y9-M18 HydrophobicContact CD2-CE 4.33Å; Y9-M18 HydrophobicContact CE1-CE 4.34Å; Y9-M18 HydrophobicContact CE2-CE 3.84Å; M18-I20 HydrophobicContact CG-CG2 4.2Å; M18-I20 HydrophobicContact SD-CG2 4.27Å; M18-P57 HydrophobicContact CE-CB 4.29Å; M18-P57 HydrophobicContact SD-CB 4.15Å; M18-V59 HydrophobicContact SD-CG2 3.61Å
19	D	98.4	Very high	97.9	Very high	66 Å²	66	65 Å²	65	35%	0.353	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	132.3	169.5	-62.6	-33.5	0	0	0	108.9	K2 I3 K4	K2-D19 HydrophobicContact CB-CB 4.23Å; K2-D19 HydrophobicContact CD-CB 3.93Å; K2-D19 VanDerWaalsContact CD-OD2 3.24Å; K2-D19 WeakPolarHBondContact CD-OD2 3.43Å; K2-D19 HydrophobicContact CG-CB 4.38Å; K2-D19 IonicContact NZ-OD2 2.92Å; K2-D19 PolarHBondContact NZ-OD2 3.1Å; I3-D19 WeakPolarHBondContact O-CA 3.45Å; K4-D19 WeakPolarHBondContact CD-OD1 3.47Å; K4-D19 WeakPolarHBondContact CE-OD1 3.48Å; K4-D19 IonicContact NZ-OD1 2.8Å; K4-D19 PolarHBondContact NZ-OD1 3.42Å
20	I	98.6	Very high	98	Very high	12 Å²	12	59.9 Å²	59.9	6%	0.062	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	170	174.7	67.4	169	0	0	0	110.8	I3 A5 M18 V59 L126	I3-I20 HydrophobicContact CB-CG1 4.06Å; I3-I20 HydrophobicContact CG2-CD1 4.45Å; I3-I20 HydrophobicContact CG2-CG1 4.09Å; I3-I20 PolarHBondContact N-O 2.7Å; I3-I20 WeakPolarHBondContact O-CG1 3.45Å; I3-I20 PolarHBondContact O-N 2.96Å; A5-I20 HydrophobicContact CB-CD1 3.97Å; A5-I20 HydrophobicContact CB-CG1 4.06Å; A5-I20 HydrophobicContact CB-CG2 3.97Å; M18-I20 HydrophobicContact CG-CG2 4.2Å; M18-I20 HydrophobicContact SD-CG2 4.27Å; I20-V59 HydrophobicContact CG2-CG2 4.16Å; I20-L126 HydrophobicContact CB-CD1 3.82Å; I20-L126 HydrophobicContact CD1-CB 4.31Å; I20-L126 HydrophobicContact CD1-CD1 4.07Å; I20-L126 HydrophobicContact CG2-CD1 3.82Å
21	T	98.3	Very high	98	Very high	57 Å²	57	60.1 Å²	60.1	35%	0.35	32%	0.321	S	S	.	.			trans	-111.4	161.2	169	56.5	0	0	0	0	110.1
22	R	98.5	Very high	98.2	Very high	46 Å²	46	58.1 Å²	58.1	17%	0.174	30%	0.304	C	S	.	.			trans	-132.1	146.6	167.3	-67.1	-63.2	-173.1	-172.5	-0	107.1	I3 L126 G127 S130 Q132 V134	I3-R22 HydrophobicContact CD1-CB 3.73Å; I3-R22 HydrophobicContact CD1-CG 3.39Å; R22-L126 PolarHBondContact NH1-O 3.12Å; R22-L126 PolarHBondContact NH2-O 3.44Å; R22-G127 PolarHBondContact NH2-O 3.33Å; R22-S130 PolarHBondContact NH2-OG 2.61Å; R22-Q132 PolarHBondContact NE-O 3.42Å; R22-Q132 PolarHBondContact NH2-O 2.91Å; R22-V134 HydrophobicContact CB-CG2 4.2Å
23	R	98.1	Very high	98.3	Very high	74 Å²	74	53.3 Å²	53.3	28%	0.279	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-57.4	154.9	169.9	69.9	172.1	-176.8	-70.6	0.4	110.4	D29 D120 V134	R23-D29 IonicContact CZ-OD1 3.15Å; R23-D29 IonicContact CZ-OD2 3.51Å; R23-D29 IonicContact NE-OD1 3.54Å; R23-D29 IonicContact NE-OD2 2.64Å; R23-D29 PolarHBondContact NE-OD2 2.83Å; R23-D29 IonicContact NH2-OD1 3.35Å; R23-D29 PolarHBondContact NH2-OD1 2.85Å; R23-D29 IonicContact NH2-OD2 3.94Å; R23-D29 PolarHBondContact NH2-OD2 2.91Å; R23-D120 WeakPolarHBondContact CD-OD1 3.5Å; R23-D120 WeakPolarHBondContact CD-OD2 3.29Å; R23-D120 WeakPolarHBondContact CG-OD2 3.45Å; R23-D120 IonicContact CZ-OD2 2.77Å; R23-D120 IonicContact NE-OD2 2.67Å; R23-D120 IonicContact NH1-OD2 3.87Å; R23-D120 PolarHBondContact NH1-OD2 2.88Å; R23-V134 HydrophobicContact CG-CB 4.27Å; R23-V134 HydrophobicContact CG-CG1 4.13Å; R23-V134 PolarHBondContact NH1-O 2.74Å; R23-V134 PolarHBondContact NH2-O 2.78Å
24	E	98	Very high	98.5	Very high	135 Å²	135	49.6 Å²	49.6	63%	0.631	27%	0.268	S	S	*	.	P	Polyproline II helix	trans	-69.4	146.4	164.4	-67.6	-57.5	142.5	0	0	109.5	G26	E24-G26 PolarHBondContact O-N 2.85Å
25	P	98.5	Very high	98.6	Very high	39 Å²	39	45.9 Å²	45.9	25%	0.253	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-57.9	121.2	178.4	-25.6	37	0	0	0	111.6	D29 K31 V134	P25-D29 HydrophobicContact CB-CB 4Å; P25-K31 HydrophobicContact CG-CB 3.77Å; P25-K31 HydrophobicContact CG-CD 4.06Å; P25-K31 HydrophobicContact CG-CG 4.39Å; P25-V134 HydrophobicContact CB-CG1 4.39Å; P25-V134 HydrophobicContact CG-CG1 4.32Å
26	G	98.5	Very high	98.6	Very high	23 Å²	23	48.1 Å²	48.1	24%	0.237	25%	0.253	C	S	.	.			trans	-72.9	-176.8	165.5	0	0	0	0	0	112.4	E24 N28 D29 G72	E24-G26 PolarHBondContact O-N 2.85Å; G26-N28 VanDerWaalsContact C-N 3.28Å; G26-N28 PolarHBondContact O-N 3.06Å; G26-D29 WeakPolarHBondContact CA-OD2 3.44Å; G26-D29 PolarHBondContact N-OD2 3.21Å; G26-D29 PolarHBondContact O-N 2.85Å; G26-D29 VanDerWaalsContact O-N 3.16Å; G26-G72 VanDerWaalsContact O-CA 3.26Å; G26-G72 WeakPolarHBondContact O-CA 3.37Å
27	P	98.8	Very high	98.6	Very high	66 Å²	66	44.4 Å²	44.4	43%	0.429	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-32	-173.1	21.3	-32.2	0	0	0	114.2	G72 D73 Q74 V75	P27-G72 CarbonylContact O-C 3.54Å; P27-G72 VanDerWaalsContact O-CA 3.24Å; P27-G72 WeakPolarHBondContact O-CA 3.3Å; P27-D73 PolarHBondContact O-N 2.99Å; P27-Q74 HydrophobicContact CB-CB 4.21Å; P27-Q74 HydrophobicContact CB-CG 3.77Å; P27-Q74 CarbonylContact O-C 3.45Å; P27-Q74 WeakPolarHBondContact O-CA 3.41Å; P27-Q74 WeakPolarHBondContact O-CB 3.27Å; P27-Q74 PolarHBondContact O-N 2.9Å; P27-V75 PolarHBondContact O-N 2.66Å
28	N	98.9	Very high	98.7	Very high	60 Å²	60	39.2 Å²	39.2	32%	0.321	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.5	10.6	-179	-57.5	-59.1	0	0	0	113	G26 Q74 H136 E137	G26-N28 VanDerWaalsContact C-N 3.28Å; G26-N28 PolarHBondContact O-N 3.06Å; N28-Q74 VanDerWaalsContact OD1-CB 3.27Å; N28-Q74 WeakPolarHBondContact OD1-CB 3.4Å; N28-H136 WeakPolarHBondContact CB-NE2 3.41Å; N28-E137 PolarHBondContact O-N 3.43Å
29	D	98.9	Very high	98.7	Very high	16 Å²	16	38.8 Å²	38.8	9%	0.086	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	145.9	-173.4	-75.6	-34.6	0	0	0	112.4	R23 P25 G26 V71 G72 V75 V134 H136	R23-D29 IonicContact CZ-OD1 3.15Å; R23-D29 IonicContact CZ-OD2 3.51Å; R23-D29 IonicContact NE-OD1 3.54Å; R23-D29 IonicContact NE-OD2 2.64Å; R23-D29 PolarHBondContact NE-OD2 2.83Å; R23-D29 IonicContact NH2-OD1 3.35Å; R23-D29 PolarHBondContact NH2-OD1 2.85Å; R23-D29 IonicContact NH2-OD2 3.94Å; R23-D29 PolarHBondContact NH2-OD2 2.91Å; P25-D29 HydrophobicContact CB-CB 4Å; G26-D29 WeakPolarHBondContact CA-OD2 3.44Å; G26-D29 PolarHBondContact N-OD2 3.21Å; G26-D29 PolarHBondContact O-N 2.85Å; G26-D29 VanDerWaalsContact O-N 3.16Å; D29-V71 CarbonylContact O-C 3.46Å; D29-V71 WeakPolarHBondContact O-CA 3.34Å; D29-G72 PolarHBondContact O-N 3.12Å; D29-V75 WeakPolarHBondContact O-CG2 3.33Å; D29-V134 HydrophobicContact CB-CG1 3.73Å; D29-H136 WeakPolarHBondContact OD1-CA 3.35Å; D29-H136 PolarHBondContact OD1-N 3.33Å
30	V	98.9	Very high	98.6	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	123.2	170.9	-174.3	0	0	0	0	108.1	I32 V68 V71 V75 Y78 V134 V135 E137 V140	V30-I32 HydrophobicContact CB-CG1 4.5Å; V30-I32 HydrophobicContact CG1-CD1 4.37Å; V30-I32 HydrophobicContact CG1-CG1 3.85Å; V30-V68 HydrophobicContact CG1-CB 4.24Å; V30-V68 HydrophobicContact CG1-CG1 3.71Å; V30-V68 HydrophobicContact CG1-CG2 3.64Å; V30-V71 HydrophobicContact CG1-CG1 4.34Å; V30-V75 HydrophobicContact CG2-CG1 4.29Å; V30-V75 HydrophobicContact CG2-CG2 4.45Å; V30-Y78 HydrophobicContact CG2-CD2 3.79Å; V30-Y78 HydrophobicContact CG2-CG 4.39Å; V30-V134 WeakPolarHBondContact O-CA 3.38Å; V30-V135 PolarHBondContact N-O 3.43Å; V30-V135 PolarHBondContact O-N 3.13Å; V30-V135 VanDerWaalsContact O-N 3.08Å; V30-E137 HydrophobicContact CG2-CB 3.78Å; V30-V140 HydrophobicContact CB-CG2 4.03Å; V30-V140 HydrophobicContact CG2-CG2 4.08Å
31	K	98.9	Very high	98.4	Very high	44 Å²	44	38.7 Å²	38.7	19%	0.191	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	122.6	170.6	-172.4	169.8	-176.5	169.3	0	109.5	P25 V69 A70 V134	P25-K31 HydrophobicContact CG-CB 3.77Å; P25-K31 HydrophobicContact CG-CD 4.06Å; P25-K31 HydrophobicContact CG-CG 4.39Å; K31-V69 HydrophobicContact CG-CB 4.5Å; K31-V69 PolarHBondContact O-N 3.13Å; K31-A70 HydrophobicContact CB-CB 4.11Å; K31-A70 HydrophobicContact CD-CB 4.49Å; K31-A70 PolarHBondContact N-O 3.47Å; K31-V134 HydrophobicContact CB-CG2 4.43Å; K31-V134 HydrophobicContact CG-CG2 4.17Å
32	I	98.9	Very high	98.3	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	130	-173.8	-55	171.4	0	0	0	109	V30 R67 V84 V86 Q132 I133 V140	V30-I32 HydrophobicContact CB-CG1 4.5Å; V30-I32 HydrophobicContact CG1-CD1 4.37Å; V30-I32 HydrophobicContact CG1-CG1 3.85Å; I32-R67 WeakPolarHBondContact CA-O 3.47Å; I32-V84 HydrophobicContact CB-CG2 4.49Å; I32-V84 HydrophobicContact CD1-CG2 3.76Å; I32-V84 HydrophobicContact CG1-CG2 3.85Å; I32-V84 HydrophobicContact CG2-CG2 3.86Å; I32-V86 HydrophobicContact CD1-CG2 3.58Å; I32-Q132 VanDerWaalsContact O-CA 3.25Å; I32-Q132 WeakPolarHBondContact O-CA 3.36Å; I32-I133 HydrophobicContact CB-CG2 3.9Å; I32-I133 HydrophobicContact CD1-CG2 4.25Å; I32-I133 HydrophobicContact CG2-CG2 4.47Å; I32-I133 PolarHBondContact N-O 3.19Å; I32-I133 PolarHBondContact O-N 2.93Å; I32-V140 HydrophobicContact CD1-CG1 4.15Å; I32-V140 HydrophobicContact CD1-CG2 4.12Å
33	E	98.9	Very high	98.2	Very high	99 Å²	99	35.2 Å²	35.2	46%	0.463	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	116.7	164.2	178.7	149.9	-115.3	0	0	109	A35 G66 R67 V69	E33-A35 PolarHBondContact O-N 2.95Å; E33-G66 CarbonylContact O-C 3.26Å; E33-G66 WeakPolarHBondContact O-CA 3.49Å; E33-R67 PolarHBondContact N-O 3.09Å; E33-R67 PolarHBondContact O-N 3.29Å; E33-V69 HydrophobicContact CB-CG2 3.45Å; E33-V69 VanDerWaalsContact CB-CG2 3.45Å
34	I	98.9	Very high	98	Very high	7 Å²	7	31.7 Å²	31.7	4%	0.036	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	123.3	-173.4	-58.3	178.6	0	0	0	108.4	I64 S130 Q131 I133 N344	I34-I64 HydrophobicContact CB-CG2 4.35Å; I34-I64 HydrophobicContact CD1-CD1 4.45Å; I34-I64 HydrophobicContact CD1-CG2 3.77Å; I34-I64 HydrophobicContact CG1-CG2 3.69Å; I34-I64 HydrophobicContact CG2-CG2 3.86Å; I34-S130 WeakPolarHBondContact CD1-O 3.34Å; I34-Q131 PolarHBondContact N-O 3.41Å; I34-I133 HydrophobicContact CD1-CB 4.1Å; I34-I133 HydrophobicContact CD1-CG2 4.04Å; I34-I133 HydrophobicContact CG1-CG2 4.18Å; I34-N344 HydrophobicContact CG2-CB 4.07Å; I34-N344 VanDerWaalsContact CG2-ND2 3.32Å; I34-N344 WeakPolarHBondContact CG2-ND2 3.32Å
35	A	98.9	Very high	97.8	Very high	11 Å²	11	25.9 Å²	25.9	9%	0.091	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	-45.9	173.8	0	0	0	0	0	110.7	E33 V65 L150 N344	E33-A35 PolarHBondContact O-N 2.95Å; A35-V65 PolarHBondContact N-O 2.98Å; A35-L150 HydrophobicContact CB-CD2 3.63Å; A35-N344 PolarHBondContact O-N 2.88Å; A35-N344 VanDerWaalsContact O-N 3.07Å
36	Y	98.9	Very high	97.6	Very high	58 Å²	58	25 Å²	25	23%	0.227	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	150.3	-178.9	-51	-78.3	0	0	0	111.7	V65 L150 A151 M318 V341 I342 D343 N344	Y36-V65 HydrophobicContact CD2-CG2 3.96Å; Y36-V65 HydrophobicContact CG-CG2 4.33Å; Y36-V65 PolarHBondContact N-O 3.09Å; Y36-V65 VanDerWaalsContact N-O 3.14Å; Y36-V65 PolarHBondContact O-N 3.17Å; Y36-L150 HydrophobicContact CD2-CB 4.17Å; Y36-L150 HydrophobicContact CD2-CD2 3.88Å; Y36-L150 HydrophobicContact CD2-CG 4.37Å; Y36-L150 HydrophobicContact CE2-CB 4.05Å; Y36-L150 HydrophobicContact CE2-CD2 4.04Å; Y36-A151 HydrophobicContact CD1-CB 3.76Å; Y36-A151 VanDerWaalsContact CD2-CA 3.47Å; Y36-A151 HydrophobicContact CD2-CB 3.7Å; Y36-A151 HydrophobicContact CE1-CB 3.91Å; Y36-A151 HydrophobicContact CE2-CB 3.85Å; Y36-A151 HydrophobicContact CG-CB 3.68Å; Y36-M318 HydrophobicContact CD1-CE 4.08Å; Y36-M318 HydrophobicContact CE1-CE 3.6Å; Y36-M318 HydrophobicContact CE1-SD 4.25Å; Y36-V341 HydrophobicContact CD1-CG1 4.29Å; Y36-V341 HydrophobicContact CG-CG1 4.25Å; Y36-I342 VanDerWaalsContact CA-O 3.26Å; Y36-I342 WeakPolarHBondContact CA-O 3.29Å; Y36-D343 HydrophobicContact CD1-CB 4.4Å; Y36-D343 HydrophobicContact CE1-CB 4.26Å; Y36-N344 WeakPolarHBondContact CA-OD1 3.43Å
37	C	98.9	Very high	97.5	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	124.6	170.2	-169.7	0	0	0	0	110.4	G61 E63 G128 Y129 I342 N344	C37-G61 VanDerWaalsContact SG-CA 3.53Å; C37-E63 CarbonylContact C-O 3.51Å; C37-E63 VanDerWaalsContact CA-O 3.28Å; C37-E63 WeakPolarHBondContact CA-O 3.4Å; C37-G128 WeakPolarHBondContact CB-O 3.06Å; C37-Y129 HydrophobicContact CB-CD1 4.16Å; C37-Y129 HydrophobicContact CB-CE1 4.45Å; C37-I342 PolarHBondContact N-O 2.94Å; C37-I342 PolarHBondContact O-N 3.48Å; C37-N344 PolarHBondContact N-OD1 3.29Å
38	G	98.8	Very high	97.3	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	151.6	169.7	0	0	0	0	0	112.1	E63	G38-E63 WeakPolarHBondContact CA-OE2 3.47Å; G38-E63 PolarHBondContact N-O 3.45Å
39	V	98.7	Very high	97	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	114	177.6	-175.9	0	0	0	0	108.8	Y129 I319 Y328 M331 R339 F340 I342	V39-Y129 WeakPolarHBondContact CG1-OH 3.39Å; V39-I319 HydrophobicContact CG2-CD1 4.21Å; V39-Y328 HydrophobicContact CG1-CD1 3.91Å; V39-Y328 HydrophobicContact CG1-CE1 3.48Å; V39-Y328 VanDerWaalsContact CG1-CE1 3.48Å; V39-M331 HydrophobicContact CB-SD 4.21Å; V39-M331 HydrophobicContact CG1-CE 4.02Å; V39-M331 HydrophobicContact CG1-SD 3.39Å; V39-M331 WeakPolarHBondContact CG1-SD 3.34Å; V39-R339 VanDerWaalsContact C-NH1 3.34Å; V39-R339 PolarHBondContact O-NH1 3.4Å; V39-F340 HydrophobicContact CB-CB 3.92Å; V39-F340 HydrophobicContact CG2-CB 3.82Å; V39-F340 PolarHBondContact N-O 2.76Å; V39-I342 HydrophobicContact CG2-CD1 3.9Å; V39-I342 HydrophobicContact CG2-CG1 3.86Å
40	C	97.1	Very high	96.5	Very high	8 Å²	8	27.8 Å²	27.8	5%	0.054	14%	0.135	C	C	.	.			trans	-103.3	153.1	-176.6	-171	0	0	0	0	111.7	S42 D43 H62 R339	C40-S42 PolarHBondContact O-N 3.22Å; C40-D43 WeakPolarHBondContact CA-OD2 3.37Å; C40-D43 VanDerWaalsContact CB-OD2 3.31Å; C40-D43 WeakPolarHBondContact CB-OD2 3.13Å; C40-D43 PolarHBondContact N-OD2 3.41Å; C40-D43 WeakPolarHBondContact O-CB 3.34Å; C40-D43 PolarHBondContact O-N 3.25Å; C40-D43 VanDerWaalsContact O-N 3.08Å; C40-H62 WeakPolarHBondContact CB-NE2 3.41Å; C40-H62 PolarHBondContact SG-NE2 3.13Å; C40-H62 VanDerWaalsContact SG-NE2 3.43Å; C40-R339 VanDerWaalsContact CA-NH1 3.26Å
41	H	94.4	Very high	95.7	Very high	68 Å²	68	31.6 Å²	31.6	32%	0.315	15%	0.15	S	C	.	.	H	α-helix	trans	-59.9	-31.4	171	-94.6	67.2	0	0	0	111.2	D43 L44 H45 M331	H41-D43 PolarHBondContact O-N 3.18Å; H41-L44 WeakPolarHBondContact O-CB 3.38Å; H41-L44 PolarHBondContact O-N 3.02Å; H41-L44 VanDerWaalsContact O-N 3.15Å; H41-H45 PolarHBondContact O-CD2 3.07Å; H41-H45 PolarHBondContact O-N 2.78Å; H41-M331 WeakPolarHBondContact ND1-CE 3.34Å
42	S	95.2	Very high	95	Very high	31 Å²	31	34.1 Å²	34.1	22%	0.217	18%	0.179	C	C	.	.	H	α-helix	trans	-59.6	-33.6	174.4	-56.6	0	0	0	0	113.1	C40 Q46 Y114	C40-S42 PolarHBondContact O-N 3.22Å; S42-Q46 VanDerWaalsContact O-CB 3.28Å; S42-Q46 WeakPolarHBondContact O-CB 3.29Å; S42-Q46 PolarHBondContact O-N 3.3Å; S42-Y114 WeakPolarHBondContact CB-OH 3.49Å; S42-Y114 PolarHBondContact O-OH 2.88Å
43	D	97.1	Very high	94.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-66	-43.8	176.3	-58.4	-48.5	0	0	0	110.7	C40 H41 Q46 V47 P60 G61 Y114 Y129 Y328	C40-D43 WeakPolarHBondContact CA-OD2 3.37Å; C40-D43 VanDerWaalsContact CB-OD2 3.31Å; C40-D43 WeakPolarHBondContact CB-OD2 3.13Å; C40-D43 PolarHBondContact N-OD2 3.41Å; C40-D43 WeakPolarHBondContact O-CB 3.34Å; C40-D43 PolarHBondContact O-N 3.25Å; C40-D43 VanDerWaalsContact O-N 3.08Å; H41-D43 PolarHBondContact O-N 3.18Å; D43-Q46 PolarHBondContact O-N 3.31Å; D43-V47 WeakPolarHBondContact O-CG2 3.46Å; D43-V47 PolarHBondContact O-N 3.24Å; D43-P60 HydrophobicContact CB-CB 3.57Å; D43-P60 HydrophobicContact CB-CG 4.41Å; D43-P60 WeakPolarHBondContact OD1-CB 3.36Å; D43-G61 WeakPolarHBondContact OD1-CA 3.3Å; D43-G61 PolarHBondContact OD1-N 3.31Å; D43-Y114 WeakPolarHBondContact OD1-CE1 3.49Å; D43-Y129 PolarHBondContact OD2-OH 3.31Å; D43-Y328 HydrophobicContact CB-CE1 4.29Å; D43-Y328 VanDerWaalsContact CB-OH 3.28Å; D43-Y328 WeakPolarHBondContact CB-OH 3.39Å
44	L	94.8	Very high	94.7	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-62.3	-50.7	176.4	-176.6	158.1	0	0	0	111.4	H41 Q46 V47 R48 Y328 L332	H41-L44 WeakPolarHBondContact O-CB 3.38Å; H41-L44 PolarHBondContact O-N 3.02Å; H41-L44 VanDerWaalsContact O-N 3.15Å; L44-Q46 VanDerWaalsContact C-N 3.26Å; L44-Q46 PolarHBondContact O-N 3.44Å; L44-V47 WeakPolarHBondContact O-CG2 3.38Å; L44-V47 PolarHBondContact O-N 2.97Å; L44-R48 WeakPolarHBondContact O-CB 3.46Å; L44-R48 WeakPolarHBondContact O-CG 3.26Å; L44-R48 PolarHBondContact O-N 3.38Å; L44-R48 VanDerWaalsContact O-N 3.12Å; L44-Y328 HydrophobicContact CB-CD1 3.95Å; L44-Y328 HydrophobicContact CB-CE1 3.99Å; L44-Y328 HydrophobicContact CB-CG 4.31Å; L44-Y328 HydrophobicContact CD1-CD1 4.05Å; L44-Y328 HydrophobicContact CD1-CG 3.97Å; L44-Y328 HydrophobicContact CG-CD1 4.34Å; L44-Y328 HydrophobicContact CG-CG 4.24Å; L44-L332 HydrophobicContact CD1-CD1 4.04Å; L44-L332 HydrophobicContact CD1-CD2 3.9Å; L44-L332 HydrophobicContact CD1-CG 3.72Å; L44-L332 HydrophobicContact CD2-CD2 4.18Å
45	H	92.4	Very high	94.6	Very high	13 Å²	13	35.8 Å²	35.8	6%	0.06	21%	0.207	C	C	.	.	H	α-helix	trans	-59.6	-39.4	179.3	-69.2	-55.5	0	0	0	111.4	H41 S49 E50 W51	H41-H45 PolarHBondContact O-CD2 3.07Å; H41-H45 PolarHBondContact O-N 2.78Å; H45-S49 PolarHBondContact O-N 3.41Å; H45-S49 VanDerWaalsContact O-N 3.14Å; H45-E50 HydrophobicContact CB-CB 4.41Å; H45-E50 IonicContact CE1-OE2 3.04Å; H45-E50 PolarHBondContact CE1-OE2 3.33Å; H45-E50 IonicContact CG-OE2 3.84Å; H45-E50 IonicContact ND1-OE2 2.8Å; H45-E50 PolarHBondContact ND1-OE2 3.45Å; H45-E50 PolarHBondContact O-N 3.27Å; H45-W51 HydrophobicContact CB-CD2 3.69Å; H45-W51 HydrophobicContact CB-CE3 3.63Å; H45-W51 HydrophobicContact CB-CG 4.5Å; H45-W51 HydrophobicContact CB-CH2 3.65Å; H45-W51 HydrophobicContact CB-CZ2 3.68Å; H45-W51 HydrophobicContact CB-CZ3 3.62Å; H45-W51 AromaticContact CD2-CE2 3.9Å; H45-W51 AromaticContact CD2-CH2 3.34Å; H45-W51 WeakPolarHBondContact CD2-CH2 3.35Å; H45-W51 AromaticContact CD2-CZ2 3.14Å; H45-W51 WeakPolarHBondContact CD2-CZ2 3.25Å; H45-W51 AromaticContact CG-CE2 3.74Å; H45-W51 AromaticContact CG-CH2 3.74Å; H45-W51 AromaticContact CG-CZ2 3.45Å; H45-W51 VanDerWaalsContact CG-CZ2 3.45Å; H45-W51 AromaticContact NE2-CZ2 3.93Å
46	Q	95.6	Very high	94.6	Very high	20 Å²	20	38.4 Å²	38.4	9%	0.093	22%	0.215	C	C	.	.	H	α-helix	trans	-65.3	-54	177.9	-165.7	71.3	58.5	0	0	111.8	S42 D43 L44 R48 S49 T54 Y114 N115	S42-Q46 VanDerWaalsContact O-CB 3.28Å; S42-Q46 WeakPolarHBondContact O-CB 3.29Å; S42-Q46 PolarHBondContact O-N 3.3Å; D43-Q46 PolarHBondContact O-N 3.31Å; L44-Q46 VanDerWaalsContact C-N 3.26Å; L44-Q46 PolarHBondContact O-N 3.44Å; Q46-R48 PolarHBondContact O-N 2.97Å; Q46-S49 WeakPolarHBondContact O-CA 3.13Å; Q46-S49 PolarHBondContact O-N 2.91Å; Q46-T54 HydrophobicContact CG-CG2 4.25Å; Q46-T54 PolarHBondContact NE2-OG1 2.89Å; Q46-T54 WeakPolarHBondContact O-CG2 3.23Å; Q46-T54 PolarHBondContact O-OG1 2.84Å; Q46-Y114 HydrophobicContact CB-CE2 3.8Å; Q46-Y114 HydrophobicContact CG-CD2 3.95Å; Q46-Y114 HydrophobicContact CG-CE2 3.55Å; Q46-N115 HydrophobicContact CG-CB 4.39Å; Q46-N115 PolarHBondContact NE2-ND2 3.04Å
47	V	96.6	Very high	94.6	Very high	10 Å²	10	37.5 Å²	37.5	6%	0.061	22%	0.216	C	C	.	.	H	α-helix	trans	-67.4	-24.5	-175.6	-61.7	0	0	0	0	113.3	A8 A11 L15 D43 L44 S49 Y56 P60 Y328	A8-V47 HydrophobicContact CB-CB 4.28Å; A8-V47 HydrophobicContact CB-CG1 4.39Å; A11-V47 WeakPolarHBondContact CA-O 3.39Å; L15-V47 HydrophobicContact CD2-CG1 4.03Å; D43-V47 WeakPolarHBondContact O-CG2 3.46Å; D43-V47 PolarHBondContact O-N 3.24Å; L44-V47 WeakPolarHBondContact O-CG2 3.38Å; L44-V47 PolarHBondContact O-N 2.97Å; V47-S49 VanDerWaalsContact C-N 3.32Å; V47-Y56 PolarHBondContact O-OH 3.32Å; V47-P60 HydrophobicContact CG1-CB 4.44Å; V47-P60 HydrophobicContact CG1-CG 3.15Å; V47-Y328 HydrophobicContact CG2-CE2 3.86Å
48	R	93.6	Very high	94.6	Very high	85 Å²	85	37.6 Å²	37.6	32%	0.321	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-3.3	173.1	-65.8	-172.8	179.9	-162.9	-3.3	113.1	L44 Q46 E50 E329	L44-R48 WeakPolarHBondContact O-CB 3.46Å; L44-R48 WeakPolarHBondContact O-CG 3.26Å; L44-R48 PolarHBondContact O-N 3.38Å; L44-R48 VanDerWaalsContact O-N 3.12Å; Q46-R48 PolarHBondContact O-N 2.97Å; R48-E50 HydrophobicContact CB-CG 3.84Å; R48-E50 PolarHBondContact O-N 2.74Å; R48-E329 IonicContact CZ-OE1 3.07Å; R48-E329 IonicContact NH2-OE1 3.79Å; R48-E329 PolarHBondContact NH2-OE1 2.86Å
49	S	91.9	Very high	94.6	Very high	44 Å²	44	37.6 Å²	37.6	31%	0.308	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	35.6	-175.1	-171.9	0	0	0	0	113.5	H45 Q46 V47 W51	H45-S49 PolarHBondContact O-N 3.41Å; H45-S49 VanDerWaalsContact O-N 3.14Å; Q46-S49 WeakPolarHBondContact O-CA 3.13Å; Q46-S49 PolarHBondContact O-N 2.91Å; V47-S49 VanDerWaalsContact C-N 3.32Å; S49-W51 VanDerWaalsContact C-N 3.29Å
50	E	88.3	Confident	94.6	Very high	85 Å²	85	37.6 Å²	37.6	40%	0.397	22%	0.217	S	C	.	.	S	Bend	trans	-71.4	-28.7	178	-68.8	179.4	176.2	0	0	111.5	H45 R48	H45-E50 HydrophobicContact CB-CB 4.41Å; H45-E50 IonicContact CE1-OE2 3.04Å; H45-E50 PolarHBondContact CE1-OE2 3.33Å; H45-E50 IonicContact CG-OE2 3.84Å; H45-E50 IonicContact ND1-OE2 2.8Å; H45-E50 PolarHBondContact ND1-OE2 3.45Å; H45-E50 PolarHBondContact O-N 3.27Å; R48-E50 HydrophobicContact CB-CG 3.84Å; R48-E50 PolarHBondContact O-N 2.74Å
51	W	83.1	Confident	94.7	Very high	80 Å²	80	37.2 Å²	37.2	30%	0.303	22%	0.215	S	C	.	.	S	Bend	trans	-100.2	112.8	158.7	-49.8	-39.2	0	0	0	107	H45 S49 A269	H45-W51 HydrophobicContact CB-CD2 3.69Å; H45-W51 HydrophobicContact CB-CE3 3.63Å; H45-W51 HydrophobicContact CB-CG 4.5Å; H45-W51 HydrophobicContact CB-CH2 3.65Å; H45-W51 HydrophobicContact CB-CZ2 3.68Å; H45-W51 HydrophobicContact CB-CZ3 3.62Å; H45-W51 AromaticContact CD2-CE2 3.9Å; H45-W51 AromaticContact CD2-CH2 3.34Å; H45-W51 WeakPolarHBondContact CD2-CH2 3.35Å; H45-W51 AromaticContact CD2-CZ2 3.14Å; H45-W51 WeakPolarHBondContact CD2-CZ2 3.25Å; H45-W51 AromaticContact CG-CE2 3.74Å; H45-W51 AromaticContact CG-CH2 3.74Å; H45-W51 AromaticContact CG-CZ2 3.45Å; H45-W51 VanDerWaalsContact CG-CZ2 3.45Å; H45-W51 AromaticContact NE2-CZ2 3.93Å; S49-W51 VanDerWaalsContact C-N 3.29Å; W51-A269 HydrophobicContact CH2-CB 4.41Å; W51-A269 HydrophobicContact CZ2-CB 3.76Å
52	A	83.8	Confident	94.9	Very high	97 Å²	97	34.5 Å²	34.5	80%	0.802	20%	0.202	S	C	*	.	S	Bend	trans	-52	155.6	-176.9	0	0	0	0	0	112.2
53	G	93.6	Very high	95	Very high	56 Å²	56	33 Å²	33	58%	0.577	19%	0.192	S	C	*	.			trans	97.8	26.9	177.3	0	0	0	0	0	114.9	N115	G53-N115 PolarHBondContact O-ND2 2.93Å; G53-N115 PolarHBondContact O-OD1 3.13Å
54	T	97.5	Very high	95.1	Very high	19 Å²	19	33 Å²	33	12%	0.117	19%	0.192	C	C	.	.			trans	-78	125.9	169.7	-52.2	0	0	0	0	110.7	Q46 Y56 C58	Q46-T54 HydrophobicContact CG-CG2 4.25Å; Q46-T54 PolarHBondContact NE2-OG1 2.89Å; Q46-T54 WeakPolarHBondContact O-CG2 3.23Å; Q46-T54 PolarHBondContact O-OG1 2.84Å; T54-Y56 HydrophobicContact CG2-CD1 4.35Å; T54-Y56 HydrophobicContact CG2-CD2 4.26Å; T54-Y56 HydrophobicContact CG2-CE1 3.79Å; T54-Y56 HydrophobicContact CG2-CE2 3.66Å; T54-C58 HydrophobicContact CG2-CB 3.9Å
55	V	98.3	Very high	95.3	Very high	67 Å²	67	33 Å²	33	41%	0.406	19%	0.192	S	C	.	.			trans	-96.4	133.4	171.2	-170.6	0	0	0	0	108.8	N115 H124	V55-N115 PolarHBondContact N-OD1 3.11Å; V55-H124 HydrophobicContact CB-CB 4.41Å; V55-H124 HydrophobicContact CG1-CB 4.36Å; V55-H124 VanDerWaalsContact CG1-ND1 3.35Å; V55-H124 WeakPolarHBondContact CG1-ND1 3.39Å
56	Y	98.3	Very high	95.6	Very high	65 Å²	65	32.4 Å²	32.4	26%	0.255	19%	0.189	S	C	.	.	S	Bend	trans	-110.9	146.4	-177.2	-63.1	-87.7	0	0	0	111.2	A8 Y9 S10 A11 V47 T54 C58	A8-Y56 HydrophobicContact CB-CE1 4.27Å; A8-Y56 WeakPolarHBondContact O-CD1 3.32Å; Y9-Y56 WeakPolarHBondContact O-CB 3.26Å; S10-Y56 VanDerWaalsContact CA-CE1 3.49Å; A11-Y56 VanDerWaalsContact CA-OH 3.26Å; A11-Y56 WeakPolarHBondContact CA-OH 3.22Å; A11-Y56 WeakPolarHBondContact CB-OH 3.36Å; A11-Y56 PolarHBondContact N-OH 2.68Å; V47-Y56 PolarHBondContact O-OH 3.32Å; T54-Y56 HydrophobicContact CG2-CD1 4.35Å; T54-Y56 HydrophobicContact CG2-CD2 4.26Å; T54-Y56 HydrophobicContact CG2-CE1 3.79Å; T54-Y56 HydrophobicContact CG2-CE2 3.66Å; Y56-C58 HydrophobicContact CD1-CB 3.96Å; Y56-C58 HydrophobicContact CE1-CB 4.15Å
57	P	98.4	Very high	95.8	Very high	39 Å²	39	36.6 Å²	36.6	25%	0.253	20%	0.204	S	C	.	.	S	Bend	cis	-67.2	137.3	0.7	29	-35.4	0	0	0	112.3	A8 Y9 M18 H124	A8-P57 CarbonylContact O-C 3.6Å; A8-P57 WeakPolarHBondContact O-CA 3.33Å; Y9-P57 HydrophobicContact CD1-CB 3.98Å; Y9-P57 HydrophobicContact CE1-CB 3.97Å; M18-P57 HydrophobicContact CE-CB 4.29Å; M18-P57 HydrophobicContact SD-CB 4.15Å; P57-H124 PolarHBondContact O-NE2 3.46Å
58	C	98.6	Very high	95.9	Very high	3 Å²	3	36.3 Å²	36.3	2%	0.02	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-102.5	118.6	-179.9	179.1	0	0	0	0	108.9	G7 A8 T54 Y56	G7-C58 CarbonylContact C-O 3.52Å; G7-C58 WeakPolarHBondContact CA-O 3.3Å; A8-C58 PolarHBondContact N-O 3.19Å; A8-C58 PolarHBondContact O-N 2.74Å; T54-C58 HydrophobicContact CG2-CB 3.9Å; Y56-C58 HydrophobicContact CD1-CB 3.96Å; Y56-C58 HydrophobicContact CE1-CB 4.15Å
59	V	98.8	Very high	96.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	21%	0.206	C	C	.	.			trans	-109.7	105.2	171.3	177.3	0	0	0	0	106.9	A5 M18 I20 Y114 L126 G127	A5-V59 HydrophobicContact CB-CG1 4.2Å; A5-V59 HydrophobicContact CB-CG2 4.3Å; M18-V59 HydrophobicContact SD-CG2 3.61Å; I20-V59 HydrophobicContact CG2-CG2 4.16Å; V59-Y114 VanDerWaalsContact O-CB 3.27Å; V59-Y114 WeakPolarHBondContact O-CB 3.38Å; V59-L126 HydrophobicContact CB-CB 4.05Å; V59-L126 HydrophobicContact CB-CD2 4.2Å; V59-L126 HydrophobicContact CG2-CB 4.43Å; V59-L126 HydrophobicContact CG2-CD2 4.11Å; V59-G127 WeakPolarHBondContact O-CA 3.46Å; V59-G127 PolarHBondContact O-N 3.15Å
60	P	98.7	Very high	96.5	Very high	0 Å²	0	35 Å²	35	0%	0	21%	0.205	C	C	.	.			trans	-75.9	-168.9	179.8	-16.8	32.5	0	0	0	113.1	D43 V47 G127 G128 Y129	D43-P60 HydrophobicContact CB-CB 3.57Å; D43-P60 HydrophobicContact CB-CG 4.41Å; D43-P60 WeakPolarHBondContact OD1-CB 3.36Å; V47-P60 HydrophobicContact CG1-CB 4.44Å; V47-P60 HydrophobicContact CG1-CG 3.15Å; P60-G127 CarbonylContact O-C 3.56Å; P60-G127 VanDerWaalsContact O-C 3.26Å; P60-G127 WeakPolarHBondContact O-CA 3.24Å; P60-G128 PolarHBondContact O-N 2.89Å; P60-Y129 HydrophobicContact CB-CD2 4.07Å; P60-Y129 HydrophobicContact CB-CE2 3.85Å; P60-Y129 HydrophobicContact CG-CD2 4.19Å; P60-Y129 HydrophobicContact CG-CE2 4.11Å; P60-Y129 PolarHBondContact O-N 3.36Å
61	G	98.8	Very high	97	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	20%	0.2	C	C	.	.			trans	101.2	119.7	175	0	0	0	0	0	111.4	C37 D43 G127 G128	C37-G61 VanDerWaalsContact SG-CA 3.53Å; D43-G61 WeakPolarHBondContact OD1-CA 3.3Å; D43-G61 PolarHBondContact OD1-N 3.31Å; G61-G127 CarbonylContact O-C 3.42Å; G61-G127 WeakPolarHBondContact O-CA 3.3Å; G61-G128 PolarHBondContact O-N 2.81Å
62	H	98.9	Very high	97.7	Very high	11 Å²	11	29.9 Å²	29.9	5%	0.051	19%	0.19	C	C	.	.			trans	-143	21.7	178.4	60	-157.7	0	0	0	113.1	C40 G87 T113 Y114	C40-H62 WeakPolarHBondContact CB-NE2 3.41Å; C40-H62 PolarHBondContact SG-NE2 3.13Å; C40-H62 VanDerWaalsContact SG-NE2 3.43Å; H62-G87 CarbonylContact O-C 3.43Å; H62-G87 WeakPolarHBondContact O-CA 3.39Å; H62-T113 HydrophobicContact CB-CG2 4.27Å; H62-Y114 HydrophobicContact CB-CD1 4.25Å; H62-Y114 HydrophobicContact CB-CE1 3.97Å; H62-Y114 AromaticContact CG-CE1 3.76Å; H62-Y114 AromaticContact ND1-CE1 3.31Å; H62-Y114 VanDerWaalsContact ND1-CE1 3.31Å; H62-Y114 WeakPolarHBondContact ND1-CE1 3.42Å; H62-Y114 AromaticContact ND1-CZ 3.77Å
63	E	98.9	Very high	98.4	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.186	C	C	.	.			trans	-118.7	64.2	176	-84.7	174.6	-173.7	0	0	107.8	C37 G38 A154 P155 C158 A159 R339	C37-E63 CarbonylContact C-O 3.51Å; C37-E63 VanDerWaalsContact CA-O 3.28Å; C37-E63 WeakPolarHBondContact CA-O 3.4Å; G38-E63 WeakPolarHBondContact CA-OE2 3.47Å; G38-E63 PolarHBondContact N-O 3.45Å; E63-A154 VanDerWaalsContact CB-O 3.28Å; E63-A154 WeakPolarHBondContact CB-O 3.42Å; E63-A154 WeakPolarHBondContact O-CB 3.34Å; E63-P155 WeakPolarHBondContact OE2-CA 3.32Å; E63-C158 HydrophobicContact CG-CB 3.58Å; E63-C158 VanDerWaalsContact OE1-CB 3.32Å; E63-C158 WeakPolarHBondContact OE1-CB 3.37Å; E63-A159 PolarHBondContact OE1-N 2.97Å; E63-R339 IonicContact OE1-CZ 3.77Å; E63-R339 IonicContact OE1-NH1 3.36Å; E63-R339 PolarHBondContact OE1-NH1 2.91Å; E63-R339 IonicContact OE1-NH2 2.77Å; E63-R339 PolarHBondContact OE1-NH2 2.96Å; E63-R339 IonicContact OE2-CZ 3.33Å; E63-R339 IonicContact OE2-NH1 3.79Å; E63-R339 PolarHBondContact OE2-NH1 2.81Å; E63-R339 IonicContact OE2-NH2 3.24Å
64	I	99	Very high	98.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	134.5	-162.2	-54.8	174.7	0	0	0	109.4	I34 G85 V86 T113 G128 I133	I34-I64 HydrophobicContact CB-CG2 4.35Å; I34-I64 HydrophobicContact CD1-CD1 4.45Å; I34-I64 HydrophobicContact CD1-CG2 3.77Å; I34-I64 HydrophobicContact CG1-CG2 3.69Å; I34-I64 HydrophobicContact CG2-CG2 3.86Å; I64-G85 CarbonylContact O-C 3.58Å; I64-G85 WeakPolarHBondContact O-CA 3.32Å; I64-V86 HydrophobicContact CB-CB 4.08Å; I64-V86 WeakPolarHBondContact CB-O 3.44Å; I64-V86 HydrophobicContact CD1-CB 4.22Å; I64-V86 HydrophobicContact CD1-CG1 4.39Å; I64-V86 PolarHBondContact N-O 2.92Å; I64-V86 PolarHBondContact O-N 2.53Å; I64-T113 HydrophobicContact CD1-CG2 3.78Å; I64-G128 VanDerWaalsContact CD1-CA 3.45Å; I64-I133 HydrophobicContact CD1-CD1 3.84Å
65	V	99	Very high	98.7	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	144.3	166.4	-69.2	0	0	0	0	110.6	A35 Y36 V84 I143 L150 V153 A154 L157	A35-V65 PolarHBondContact N-O 2.98Å; Y36-V65 HydrophobicContact CD2-CG2 3.96Å; Y36-V65 HydrophobicContact CG-CG2 4.33Å; Y36-V65 PolarHBondContact N-O 3.09Å; Y36-V65 VanDerWaalsContact N-O 3.14Å; Y36-V65 PolarHBondContact O-N 3.17Å; V65-V84 WeakPolarHBondContact CA-O 3.37Å; V65-I143 HydrophobicContact CG1-CD1 4.27Å; V65-I143 HydrophobicContact CG1-CG1 4.48Å; V65-L150 HydrophobicContact CB-CD2 4.03Å; V65-L150 HydrophobicContact CB-CG 3.91Å; V65-L150 HydrophobicContact CG2-CD2 3.87Å; V65-L150 HydrophobicContact CG2-CG 3.85Å; V65-L150 WeakPolarHBondContact CG2-O 3.48Å; V65-V153 HydrophobicContact CG1-CB 4.5Å; V65-V153 HydrophobicContact CG1-CG1 4.21Å; V65-A154 HydrophobicContact CG1-CB 4.19Å; V65-A154 HydrophobicContact CG2-CB 3.69Å; V65-L157 HydrophobicContact CG1-CD2 4Å
66	G	98.9	Very high	98.7	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.6	-165.9	-174	0	0	0	0	0	113.6	E33 V84	E33-G66 CarbonylContact O-C 3.26Å; E33-G66 WeakPolarHBondContact O-CA 3.49Å; G66-V84 PolarHBondContact N-O 2.96Å; G66-V84 PolarHBondContact O-N 3.36Å
67	R	98.9	Very high	98.8	Very high	107 Å²	107	41 Å²	41	40%	0.404	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	140.2	176	-75.5	178.2	-169.1	89.6	-0.1	110.4	I32 E33 V69 D82 L83	I32-R67 WeakPolarHBondContact CA-O 3.47Å; E33-R67 PolarHBondContact N-O 3.09Å; E33-R67 PolarHBondContact O-N 3.29Å; R67-V69 PolarHBondContact O-N 3.33Å; R67-D82 WeakPolarHBondContact CA-O 3.41Å; R67-L83 HydrophobicContact CG-CD2 3.62Å
68	V	98.9	Very high	98.8	Very high	5 Å²	5	39.9 Å²	39.9	3%	0.03	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	125.8	170.7	-178.9	0	0	0	0	109.4	V30 V71 A79 G81 D82 V84	V30-V68 HydrophobicContact CG1-CB 4.24Å; V30-V68 HydrophobicContact CG1-CG1 3.71Å; V30-V68 HydrophobicContact CG1-CG2 3.64Å; V68-V71 HydrophobicContact CG1-CG1 3.55Å; V68-A79 WeakPolarHBondContact CB-O 3.14Å; V68-G81 PolarHBondContact O-N 3.06Å; V68-D82 HydrophobicContact CB-CB 4.46Å; V68-D82 HydrophobicContact CG2-CB 3.96Å; V68-D82 PolarHBondContact N-O 3Å; V68-V84 HydrophobicContact CG2-CB 4.31Å; V68-V84 HydrophobicContact CG2-CG1 3.59Å; V68-V84 HydrophobicContact CG2-CG2 3.71Å
69	V	98.6	Very high	98.8	Very high	67 Å²	67	42 Å²	42	41%	0.406	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	-39.6	176.9	179.3	0	0	0	0	111.1	K31 E33 R67	K31-V69 HydrophobicContact CG-CB 4.5Å; K31-V69 PolarHBondContact O-N 3.13Å; E33-V69 HydrophobicContact CB-CG2 3.45Å; E33-V69 VanDerWaalsContact CB-CG2 3.45Å; R67-V69 PolarHBondContact O-N 3.33Å
70	A	98.7	Very high	98.8	Very high	35 Å²	35	46.2 Å²	46.2	29%	0.289	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	158.1	179.4	0	0	0	0	0	109.8	K31	K31-A70 HydrophobicContact CB-CB 4.11Å; K31-A70 HydrophobicContact CD-CB 4.49Å; K31-A70 PolarHBondContact N-O 3.47Å
71	V	98.9	Very high	98.8	Very high	46 Å²	46	48.8 Å²	48.8	28%	0.279	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	151.3	176.9	-63	0	0	0	0	109.4	D29 V30 V68 V75	D29-V71 CarbonylContact O-C 3.46Å; D29-V71 WeakPolarHBondContact O-CA 3.34Å; V30-V71 HydrophobicContact CG1-CG1 4.34Å; V68-V71 HydrophobicContact CG1-CG1 3.55Å; V71-V75 HydrophobicContact CB-CB 3.85Å; V71-V75 HydrophobicContact CB-CG1 3.85Å; V71-V75 HydrophobicContact CB-CG2 4.04Å; V71-V75 HydrophobicContact CG1-CB 4.48Å; V71-V75 HydrophobicContact CG1-CG1 3.93Å; V71-V75 HydrophobicContact CG2-CB 4.38Å; V71-V75 HydrophobicContact CG2-CG1 4.48Å
72	G	98.7	Very high	98.8	Very high	10 Å²	10	50.1 Å²	50.1	10%	0.103	28%	0.281	C	S	.	.			trans	-66.4	164.3	169.1	0	0	0	0	0	112.5	G26 P27 D29 Q74 V75	G26-G72 VanDerWaalsContact O-CA 3.26Å; G26-G72 WeakPolarHBondContact O-CA 3.37Å; P27-G72 CarbonylContact O-C 3.54Å; P27-G72 VanDerWaalsContact O-CA 3.24Å; P27-G72 WeakPolarHBondContact O-CA 3.3Å; D29-G72 PolarHBondContact O-N 3.12Å; G72-Q74 VanDerWaalsContact C-N 3.26Å; G72-Q74 PolarHBondContact O-N 3.21Å; G72-V75 WeakPolarHBondContact O-CB 3.47Å; G72-V75 PolarHBondContact O-N 3.48Å
73	D	98.6	Very high	98.8	Very high	134 Å²	134	51 Å²	51	72%	0.717	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-10.6	-174.9	61.1	37.6	0	0	0	115.2	P27	P27-D73 PolarHBondContact O-N 2.99Å
74	Q	98.8	Very high	98.8	Very high	111 Å²	111	51 Å²	51	52%	0.519	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	4.4	173.7	-57.4	-50.6	-64	0	0	112.7	P27 N28 G72 E76	P27-Q74 HydrophobicContact CB-CB 4.21Å; P27-Q74 HydrophobicContact CB-CG 3.77Å; P27-Q74 CarbonylContact O-C 3.45Å; P27-Q74 WeakPolarHBondContact O-CA 3.41Å; P27-Q74 WeakPolarHBondContact O-CB 3.27Å; P27-Q74 PolarHBondContact O-N 2.9Å; N28-Q74 VanDerWaalsContact OD1-CB 3.27Å; N28-Q74 WeakPolarHBondContact OD1-CB 3.4Å; G72-Q74 VanDerWaalsContact C-N 3.26Å; G72-Q74 PolarHBondContact O-N 3.21Å; Q74-E76 PolarHBondContact O-N 2.74Å
75	V	98.8	Very high	98.8	Very high	21 Å²	21	51.1 Å²	51.1	13%	0.127	29%	0.287	C	S	.	.			trans	-72.7	126.5	176.4	171.3	0	0	0	0	109.7	P27 D29 V30 V71 G72 E137	P27-V75 PolarHBondContact O-N 2.66Å; D29-V75 WeakPolarHBondContact O-CG2 3.33Å; V30-V75 HydrophobicContact CG2-CG1 4.29Å; V30-V75 HydrophobicContact CG2-CG2 4.45Å; V71-V75 HydrophobicContact CB-CB 3.85Å; V71-V75 HydrophobicContact CB-CG1 3.85Å; V71-V75 HydrophobicContact CB-CG2 4.04Å; V71-V75 HydrophobicContact CG1-CB 4.48Å; V71-V75 HydrophobicContact CG1-CG1 3.93Å; V71-V75 HydrophobicContact CG2-CB 4.38Å; V71-V75 HydrophobicContact CG2-CG1 4.48Å; G72-V75 WeakPolarHBondContact O-CB 3.47Å; G72-V75 PolarHBondContact O-N 3.48Å; V75-E137 WeakPolarHBondContact CA-OE2 3.13Å; V75-E137 HydrophobicContact CG1-CB 4.35Å; V75-E137 VanDerWaalsContact CG1-OE2 3.25Å; V75-E137 WeakPolarHBondContact CG1-OE2 3.48Å; V75-E137 HydrophobicContact CG2-CB 4.37Å; V75-E137 HydrophobicContact CG2-CG 4.43Å
76	E	98.5	Very high	98.8	Very high	181 Å²	181	51.1 Å²	51.1	85%	0.846	29%	0.287	S	S	*	.			trans	-113.5	-23.8	-179.5	-64.5	-173.2	-121.6	0	0	112.1	Q74 E137	Q74-E76 PolarHBondContact O-N 2.74Å; E76-E137 PolarHBondContact N-OE2 3.2Å
77	K	98.5	Very high	98.8	Very high	90 Å²	90	51.5 Å²	51.5	39%	0.391	29%	0.291	S	S	.	.	S	Bend	trans	-85.1	-22.5	-171.1	-68.4	173.5	64.1	-164.4	0	114.7	E137	K77-E137 VanDerWaalsContact CD-OE1 3.28Å; K77-E137 WeakPolarHBondContact CD-OE1 3.42Å; K77-E137 WeakPolarHBondContact CG-OE1 3.28Å; K77-E137 PolarHBondContact N-OE2 3.24Å; K77-E137 PolarHBondContact NZ-O 3.37Å
78	Y	98.8	Very high	98.8	Very high	17 Å²	17	47.3 Å²	47.3	7%	0.067	28%	0.277	C	S	.	.			trans	-138.6	154	-169.4	-55.5	-76	0	0	0	112.4	V30 V84 E137 V140 R142	V30-Y78 HydrophobicContact CG2-CD2 3.79Å; V30-Y78 HydrophobicContact CG2-CG 4.39Å; Y78-V84 HydrophobicContact CD1-CG1 3.59Å; Y78-V84 HydrophobicContact CE1-CG1 3.8Å; Y78-V84 HydrophobicContact CG-CG1 4.44Å; Y78-E137 HydrophobicContact CD2-CB 4.04Å; Y78-E137 HydrophobicContact CE2-CB 4.11Å; Y78-E137 WeakPolarHBondContact CE2-O 3.49Å; Y78-V140 HydrophobicContact CD1-CG1 4.41Å; Y78-V140 HydrophobicContact CD2-CB 4.37Å; Y78-V140 HydrophobicContact CD2-CG1 4.29Å; Y78-V140 HydrophobicContact CE1-CG1 4.02Å; Y78-V140 HydrophobicContact CE2-CB 3.74Å; Y78-V140 HydrophobicContact CE2-CG1 3.9Å; Y78-V140 PolarHBondContact OH-O 3.03Å; Y78-R142 HydrophobicContact CE1-CB 4.2Å
79	A	98.8	Very high	98.8	Very high	48 Å²	48	47.2 Å²	47.2	40%	0.397	28%	0.277	S	S	.	.			trans	-132.6	158.5	171.9	0	0	0	0	0	111.3	V68 G81 D82	V68-A79 WeakPolarHBondContact CB-O 3.14Å; A79-G81 PolarHBondContact O-N 3.39Å; A79-D82 PolarHBondContact N-OD2 2.91Å; A79-D82 WeakPolarHBondContact O-CB 3.45Å; A79-D82 PolarHBondContact O-N 3.3Å; A79-D82 VanDerWaalsContact O-N 3.12Å
80	P	98.8	Very high	98.8	Very high	87 Å²	87	44.9 Å²	44.9	57%	0.565	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	133.2	172	-27.8	36.1	0	0	0	112.5
81	G	98.7	Very high	98.8	Very high	54 Å²	54	45.7 Å²	45.7	56%	0.557	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.2	-15	-176.4	0	0	0	0	0	115.2	V68 A79	V68-G81 PolarHBondContact O-N 3.06Å; A79-G81 PolarHBondContact O-N 3.39Å
82	D	98.9	Very high	98.8	Very high	28 Å²	28	43.9 Å²	43.9	15%	0.15	25%	0.251	C	S	.	.			trans	-62	141.1	176.1	-81.4	-27.4	0	0	0	111.9	R67 V68 A79 V84 R142	R67-D82 WeakPolarHBondContact CA-O 3.41Å; V68-D82 HydrophobicContact CB-CB 4.46Å; V68-D82 HydrophobicContact CG2-CB 3.96Å; V68-D82 PolarHBondContact N-O 3Å; A79-D82 PolarHBondContact N-OD2 2.91Å; A79-D82 WeakPolarHBondContact O-CB 3.45Å; A79-D82 PolarHBondContact O-N 3.3Å; A79-D82 VanDerWaalsContact O-N 3.12Å; D82-V84 HydrophobicContact CB-CG1 4.3Å; D82-R142 IonicContact OD1-CZ 3.83Å; D82-R142 IonicContact OD1-NH1 3.56Å; D82-R142 PolarHBondContact OD1-NH1 3.44Å; D82-R142 IonicContact OD1-NH2 3.24Å; D82-R142 PolarHBondContact OD1-NH2 2.76Å; D82-R142 IonicContact OD2-CZ 3.41Å; D82-R142 IonicContact OD2-NH1 2.93Å; D82-R142 PolarHBondContact OD2-NH1 3.36Å
83	L	98.9	Very high	98.8	Very high	31 Å²	31	44.7 Å²	44.7	16%	0.162	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	123.7	168.9	-60	176	0	0	0	109.5	R67 I143 Q147 L150	R67-L83 HydrophobicContact CG-CD2 3.62Å; L83-I143 HydrophobicContact CB-CB 4.07Å; L83-I143 PolarHBondContact O-N 2.6Å; L83-Q147 HydrophobicContact CD1-CB 3.92Å; L83-L150 HydrophobicContact CB-CD1 4.12Å; L83-L150 HydrophobicContact CD1-CD1 3.95Å; L83-L150 HydrophobicContact CD2-CD1 3.83Å; L83-L150 HydrophobicContact CG-CD1 4.18Å
84	V	99	Very high	98.8	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	158.7	-173.7	-66.5	0	0	0	0	111.7	I32 V65 G66 V68 Y78 D82 V140 L141 I143	I32-V84 HydrophobicContact CB-CG2 4.49Å; I32-V84 HydrophobicContact CD1-CG2 3.76Å; I32-V84 HydrophobicContact CG1-CG2 3.85Å; I32-V84 HydrophobicContact CG2-CG2 3.86Å; V65-V84 WeakPolarHBondContact CA-O 3.37Å; G66-V84 PolarHBondContact N-O 2.96Å; G66-V84 PolarHBondContact O-N 3.36Å; V68-V84 HydrophobicContact CG2-CB 4.31Å; V68-V84 HydrophobicContact CG2-CG1 3.59Å; V68-V84 HydrophobicContact CG2-CG2 3.71Å; Y78-V84 HydrophobicContact CD1-CG1 3.59Å; Y78-V84 HydrophobicContact CE1-CG1 3.8Å; Y78-V84 HydrophobicContact CG-CG1 4.44Å; D82-V84 HydrophobicContact CB-CG1 4.3Å; V84-V140 HydrophobicContact CB-CG1 3.64Å; V84-V140 HydrophobicContact CG1-CG1 3.75Å; V84-V140 HydrophobicContact CG2-CG1 4.19Å; V84-L141 CarbonylContact C-O 3.59Å; V84-L141 WeakPolarHBondContact CA-O 3.39Å; V84-L141 WeakPolarHBondContact CB-O 3.32Å; V84-I143 VanDerWaalsContact C-CG1 3.46Å
85	G	98.9	Very high	98.8	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.01	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	160.4	171.1	0	0	0	0	0	112.3	I64 L141	I64-G85 CarbonylContact O-C 3.58Å; I64-G85 WeakPolarHBondContact O-CA 3.32Å; G85-L141 PolarHBondContact N-O 2.86Å; G85-L141 PolarHBondContact O-N 2.91Å
86	V	99	Very high	98.8	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	127.1	171.7	178.3	0	0	0	0	107.3	I32 I64 V90 T113 I133 V135	I32-V86 HydrophobicContact CD1-CG2 3.58Å; I64-V86 HydrophobicContact CB-CB 4.08Å; I64-V86 WeakPolarHBondContact CB-O 3.44Å; I64-V86 HydrophobicContact CD1-CB 4.22Å; I64-V86 HydrophobicContact CD1-CG1 4.39Å; I64-V86 PolarHBondContact N-O 2.92Å; I64-V86 PolarHBondContact O-N 2.53Å; V86-V90 HydrophobicContact CG1-CG1 3.93Å; V86-T113 HydrophobicContact CG1-CG2 4.32Å; V86-I133 HydrophobicContact CG2-CG2 4.5Å; V86-V135 HydrophobicContact CG1-CG2 4.15Å; V86-V135 HydrophobicContact CG2-CB 4.47Å; V86-V135 HydrophobicContact CG2-CG2 3.94Å
87	G	98.8	Very high	98.8	Very high	8 Å²	8	41.1 Å²	41.1	8%	0.082	23%	0.234	C	C	.	.			trans	-91.1	-142.4	178.9	0	0	0	0	0	112.7	H62 I89 T113	H62-G87 CarbonylContact O-C 3.43Å; H62-G87 WeakPolarHBondContact O-CA 3.39Å; G87-I89 VanDerWaalsContact C-N 3.31Å; G87-I89 PolarHBondContact O-N 3.25Å; G87-T113 PolarHBondContact O-OG1 2.84Å
88	C	98.8	Very high	98.8	Very high	19 Å²	19	40 Å²	40	13%	0.128	23%	0.23	C	C	.	.	S	Bend	trans	-78.9	-8.1	-179	-59.5	0	0	0	0	115	G112 T113 I294	C88-G112 WeakPolarHBondContact O-CA 3.29Å; C88-T113 WeakPolarHBondContact CA-OG1 3.2Å; C88-T113 PolarHBondContact O-N 3.4Å; C88-T113 VanDerWaalsContact O-N 3.09Å; C88-T113 PolarHBondContact O-OG1 3.31Å; C88-I294 HydrophobicContact CB-CD1 3.96Å; C88-I294 HydrophobicContact CB-CG2 4.05Å
89	I	98.9	Very high	98.8	Very high	3 Å²	3	39.2 Å²	39.2	2%	0.015	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	132.4	-174.1	-47.7	172.2	0	0	0	108.9	G87 D91 E104 N105 M110 T113 Y139 I294 I297	G87-I89 VanDerWaalsContact C-N 3.31Å; G87-I89 PolarHBondContact O-N 3.25Å; I89-D91 VanDerWaalsContact CG2-O 3.3Å; I89-D91 WeakPolarHBondContact CG2-O 3.38Å; I89-E104 HydrophobicContact CD1-CB 4.22Å; I89-N105 HydrophobicContact CD1-CB 3.95Å; I89-M110 HydrophobicContact CD1-CG 4.46Å; I89-M110 HydrophobicContact CG1-CG 4.12Å; I89-M110 HydrophobicContact CG1-SD 4.13Å; I89-M110 HydrophobicContact CG2-CG 3.88Å; I89-M110 HydrophobicContact CG2-SD 4.29Å; I89-T113 PolarHBondContact N-OG1 2.84Å; I89-Y139 HydrophobicContact CB-CD1 4.27Å; I89-Y139 HydrophobicContact CG2-CD1 3.54Å; I89-Y139 HydrophobicContact CG2-CE1 3.82Å; I89-Y139 HydrophobicContact CG2-CG 4.47Å; I89-I294 HydrophobicContact CD1-CD1 3.73Å; I89-I294 HydrophobicContact CG1-CD1 3.7Å; I89-I297 HydrophobicContact CB-CD1 4.46Å; I89-I297 HydrophobicContact CD1-CD1 4.45Å
90	V	98.9	Very high	98.8	Very high	18 Å²	18	43.9 Å²	43.9	11%	0.109	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	-16.5	170.6	-68.1	0	0	0	0	113.1	V86 T111 T113 T125 I133 V135 Y139	V86-V90 HydrophobicContact CG1-CG1 3.93Å; V90-T111 HydrophobicContact CG2-CG2 3.78Å; V90-T111 WeakPolarHBondContact CG2-O 3.14Å; V90-T111 PolarHBondContact N-O 3.39Å; V90-T113 HydrophobicContact CG1-CG2 3.95Å; V90-T125 HydrophobicContact CG2-CG2 4.1Å; V90-I133 HydrophobicContact CG1-CD1 4.38Å; V90-V135 HydrophobicContact CB-CG1 4.11Å; V90-V135 HydrophobicContact CG1-CG1 4.12Å; V90-V135 HydrophobicContact CG1-CG2 3.96Å; V90-Y139 VanDerWaalsContact O-CD2 3.24Å; V90-Y139 WeakPolarHBondContact O-CD2 3.38Å
91	D	98.9	Very high	98.8	Very high	53 Å²	53	45.1 Å²	45.1	28%	0.283	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	170.2	172	-145.8	-7.5	0	0	0	113.5	I89 K94 T111 Y139	I89-D91 VanDerWaalsContact CG2-O 3.3Å; I89-D91 WeakPolarHBondContact CG2-O 3.38Å; D91-K94 WeakPolarHBondContact OD1-CE 3.34Å; D91-K94 IonicContact OD1-NZ 3.73Å; D91-K94 PolarHBondContact OD1-NZ 3.2Å; D91-K94 IonicContact OD2-NZ 3.92Å; D91-K94 PolarHBondContact OD2-NZ 2.87Å; D91-T111 HydrophobicContact CB-CG2 4.37Å; D91-T111 PolarHBondContact N-O 2.96Å; D91-T111 PolarHBondContact O-N 3.01Å; D91-Y139 HydrophobicContact CB-CE2 4.4Å; D91-Y139 WeakPolarHBondContact OD1-CE2 3.46Å; D91-Y139 PolarHBondContact OD1-OH 3.5Å
92	S	98.8	Very high	98.8	Very high	7 Å²	7	43.2 Å²	43.2	5%	0.049	22%	0.223	C	C	.	.			trans	-157.3	179.8	169.8	72.1	0	0	0	0	111.1	K94 C99 Y139	S92-K94 VanDerWaalsContact C-N 3.27Å; S92-K94 PolarHBondContact O-N 3.47Å; S92-K94 PolarHBondContact O-NZ 3.24Å; S92-C99 PolarHBondContact OG-SG 3.46Å; S92-Y139 PolarHBondContact N-OH 3.25Å; S92-Y139 PolarHBondContact OG-OH 3.41Å
93	C	98.6	Very high	98.8	Very high	27 Å²	27	44.8 Å²	44.8	18%	0.182	23%	0.232	C	C	.	.			trans	-69.5	-23.1	178.1	76.2	0	0	0	0	113.8	H95 C96 C107 H109	C93-H95 PolarHBondContact O-CD2 2.98Å; C93-H95 PolarHBondContact O-N 3.04Å; C93-C96 PolarHBondContact SG-N 3.33Å; C93-C96 VanDerWaalsContact SG-N 3.41Å; C93-C107 PolarHBondContact SG-SG 2.97Å; C93-H109 HydrophobicContact CB-CB 4.16Å
94	K	98.6	Very high	98.8	Very high	72 Å²	72	43.5 Å²	43.5	31%	0.313	23%	0.225	S	C	.	.	S	Bend	trans	67.3	1	178.2	-53.1	174.2	-165.6	71	0	116.4	D91 S92 Y139	D91-K94 WeakPolarHBondContact OD1-CE 3.34Å; D91-K94 IonicContact OD1-NZ 3.73Å; D91-K94 PolarHBondContact OD1-NZ 3.2Å; D91-K94 IonicContact OD2-NZ 3.92Å; D91-K94 PolarHBondContact OD2-NZ 2.87Å; S92-K94 VanDerWaalsContact C-N 3.27Å; S92-K94 PolarHBondContact O-N 3.47Å; S92-K94 PolarHBondContact O-NZ 3.24Å; K94-Y139 WeakPolarHBondContact CE-OH 3.31Å; K94-Y139 WeakPolarHBondContact CG-OH 3.34Å
95	H	98.6	Very high	98.8	Very high	133 Å²	133	43.7 Å²	43.7	62%	0.616	23%	0.226	S	C	*	.	S	Bend	trans	-135.1	1.2	-172.1	69.7	65.7	0	0	0	114.6	C93	C93-H95 PolarHBondContact O-CD2 2.98Å; C93-H95 PolarHBondContact O-N 3.04Å
96	C	98.8	Very high	98.8	Very high	29 Å²	29	48.4 Å²	48.4	20%	0.196	24%	0.244	C	C	.	.	S	Bend	trans	-84.4	165.2	171	73	0	0	0	0	110.4	C93 E98 C99 E100	C93-C96 PolarHBondContact SG-N 3.33Å; C93-C96 VanDerWaalsContact SG-N 3.41Å; C96-E98 VanDerWaalsContact C-N 3.28Å; C96-E98 PolarHBondContact O-N 2.89Å; C96-E98 PolarHBondContact SG-OE2 3.48Å; C96-E98 VanDerWaalsContact SG-OE2 3.34Å; C96-C99 WeakPolarHBondContact O-CB 3.48Å; C96-C99 PolarHBondContact O-N 3.3Å; C96-C99 PolarHBondContact SG-N 2.88Å; C96-C99 VanDerWaalsContact SG-SG 3.62Å; C96-E100 WeakPolarHBondContact O-CG 3.41Å; C96-E100 PolarHBondContact O-N 3.07Å
97	E	98.8	Very high	98.8	Very high	139 Å²	139	48.9 Å²	48.9	65%	0.65	25%	0.247	S	C	*	.	H	α-helix	trans	-49.5	-49.5	179.2	-175.1	171.3	137.8	0	0	111.4	C99 E100 D101	E97-C99 VanDerWaalsContact C-N 3.32Å; E97-C99 PolarHBondContact O-N 3.18Å; E97-E100 PolarHBondContact O-N 3.14Å; E97-E100 VanDerWaalsContact O-N 3.11Å; E97-D101 WeakPolarHBondContact O-CB 3.42Å; E97-D101 PolarHBondContact O-N 3.39Å
98	E	98.8	Very high	98.8	Very high	65 Å²	65	55.8 Å²	55.8	30%	0.304	28%	0.282	S	S	.	.	H	α-helix	trans	-63.4	-37.6	179.8	-62.4	72.7	-157.4	0	0	112	C96 D101 G102 L103	C96-E98 VanDerWaalsContact C-N 3.28Å; C96-E98 PolarHBondContact O-N 2.89Å; C96-E98 PolarHBondContact SG-OE2 3.48Å; C96-E98 VanDerWaalsContact SG-OE2 3.34Å; E98-D101 PolarHBondContact O-N 2.86Å; E98-G102 PolarHBondContact O-N 3.49Å; E98-L103 HydrophobicContact CB-CB 4.09Å; E98-L103 WeakPolarHBondContact CB-O 3.34Å; E98-L103 CarbonylContact O-C 3.58Å; E98-L103 VanDerWaalsContact O-C 3.32Å; E98-L103 VanDerWaalsContact O-CA 3.25Å; E98-L103 WeakPolarHBondContact O-CA 3.21Å; E98-L103 WeakPolarHBondContact O-CB 3.49Å; E98-L103 PolarHBondContact O-N 2.89Å
99	C	98.8	Very high	98.8	Very high	2 Å²	2	61 Å²	61	1%	0.014	30%	0.304	C	S	.	.	H	α-helix	trans	-70.1	-34	176.7	-74.6	0	0	0	0	112.6	S92 C96 E97 D101 G102 R138	S92-C99 PolarHBondContact OG-SG 3.46Å; C96-C99 WeakPolarHBondContact O-CB 3.48Å; C96-C99 PolarHBondContact O-N 3.3Å; C96-C99 PolarHBondContact SG-N 2.88Å; C96-C99 VanDerWaalsContact SG-SG 3.62Å; E97-C99 VanDerWaalsContact C-N 3.32Å; E97-C99 PolarHBondContact O-N 3.18Å; C99-D101 VanDerWaalsContact C-N 3.35Å; C99-G102 PolarHBondContact O-N 3.11Å; C99-R138 PolarHBondContact O-NH2 3.49Å
100	E	98.8	Very high	98.7	Very high	145 Å²	145	63.5 Å²	63.5	68%	0.678	32%	0.317	S	S	*	.	H	α-helix	trans	-71.5	-33.8	176.9	-68.4	-176	163.3	0	0	111.2	C96 E97 G102	C96-E100 WeakPolarHBondContact O-CG 3.41Å; C96-E100 PolarHBondContact O-N 3.07Å; E97-E100 PolarHBondContact O-N 3.14Å; E97-E100 VanDerWaalsContact O-N 3.11Å; E100-G102 VanDerWaalsContact C-N 3.25Å; E100-G102 PolarHBondContact O-N 3.27Å
101	D	98.8	Very high	98.7	Very high	113 Å²	113	63.9 Å²	63.9	60%	0.604	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	3	176.6	-74.2	-15.3	0	0	0	114.1	E97 E98 C99 L103	E97-D101 WeakPolarHBondContact O-CB 3.42Å; E97-D101 PolarHBondContact O-N 3.39Å; E98-D101 PolarHBondContact O-N 2.86Å; C99-D101 VanDerWaalsContact C-N 3.35Å; D101-L103 HydrophobicContact CB-CD1 4.37Å; D101-L103 HydrophobicContact CB-CG 4.5Å
102	G	98.7	Very high	98.7	Very high	14 Å²	14	61.9 Å²	61.9	14%	0.144	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.9	30.7	-179.9	0	0	0	0	0	113.5	E98 C99 E100 G296 P298	E98-G102 PolarHBondContact O-N 3.49Å; C99-G102 PolarHBondContact O-N 3.11Å; E100-G102 VanDerWaalsContact C-N 3.25Å; E100-G102 PolarHBondContact O-N 3.27Å; G102-G296 VanDerWaalsContact O-CA 3.29Å; G102-G296 WeakPolarHBondContact O-CA 3.33Å; G102-P298 WeakPolarHBondContact O-CD 3.49Å
103	L	98.9	Very high	98.7	Very high	62 Å²	62	61.7 Å²	61.7	33%	0.325	31%	0.31	S	S	.	.			trans	-116.6	48.3	178.4	-64.3	174	0	0	0	110.5	E98 D101 N105 Y106	E98-L103 HydrophobicContact CB-CB 4.09Å; E98-L103 WeakPolarHBondContact CB-O 3.34Å; E98-L103 CarbonylContact O-C 3.58Å; E98-L103 VanDerWaalsContact O-C 3.32Å; E98-L103 VanDerWaalsContact O-CA 3.25Å; E98-L103 WeakPolarHBondContact O-CA 3.21Å; E98-L103 WeakPolarHBondContact O-CB 3.49Å; E98-L103 PolarHBondContact O-N 2.89Å; D101-L103 HydrophobicContact CB-CD1 4.37Å; D101-L103 HydrophobicContact CB-CG 4.5Å; L103-N105 VanDerWaalsContact CA-OD1 3.23Å; L103-N105 WeakPolarHBondContact CA-OD1 3.4Å; L103-N105 PolarHBondContact O-N 2.7Å; L103-N105 PolarHBondContact O-OD1 3.34Å; L103-Y106 HydrophobicContact CB-CD2 4.23Å; L103-Y106 HydrophobicContact CD2-CD2 4.46Å; L103-Y106 PolarHBondContact O-N 2.8Å
104	E	98.9	Very high	98.7	Very high	4 Å²	4	61.3 Å²	61.3	2%	0.019	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-57.6	-19.5	-178.6	-57.2	94.8	155.3	0	0	113.2	I89 Y106 C107 M110 R138 Y139 I297	I89-E104 HydrophobicContact CD1-CB 4.22Å; E104-Y106 PolarHBondContact O-N 3.02Å; E104-C107 WeakPolarHBondContact O-CB 3.25Å; E104-C107 PolarHBondContact O-N 2.89Å; E104-M110 WeakPolarHBondContact O-CG 3.49Å; E104-R138 IonicContact OE1-CZ 3.88Å; E104-R138 VanDerWaalsContact OE1-CZ 3.25Å; E104-R138 IonicContact OE1-NE 3.76Å; E104-R138 PolarHBondContact OE1-NE 2.98Å; E104-R138 IonicContact OE1-NH2 3.17Å; E104-R138 PolarHBondContact OE1-NH2 3.25Å; E104-Y139 HydrophobicContact CB-CE1 4.22Å; E104-Y139 HydrophobicContact CG-CE1 4.07Å; E104-I297 PolarHBondContact OE2-N 3.04Å
105	N	98.8	Very high	98.7	Very high	4 Å²	4	59.2 Å²	59.2	2%	0.021	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-64.2	-22.1	172.6	58	-49.3	0	0	0	114.7	I89 L103 M293 I294 G296	I89-N105 HydrophobicContact CD1-CB 3.95Å; L103-N105 VanDerWaalsContact CA-OD1 3.23Å; L103-N105 WeakPolarHBondContact CA-OD1 3.4Å; L103-N105 PolarHBondContact O-N 2.7Å; L103-N105 PolarHBondContact O-OD1 3.34Å; N105-M293 PolarHBondContact ND2-O 3.35Å; N105-M293 WeakPolarHBondContact O-CE 3.33Å; N105-I294 HydrophobicContact CB-CD1 3.41Å; N105-I294 VanDerWaalsContact CB-CD1 3.41Å; N105-I294 HydrophobicContact CB-CG1 3.35Å; N105-G296 WeakPolarHBondContact OD1-CA 3.34Å; N105-G296 PolarHBondContact OD1-N 3.33Å
106	Y	98.8	Very high	98.7	Very high	99 Å²	99	54 Å²	54	39%	0.388	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-106.4	7.4	177.4	-64	-54.7	0	0	0	113.1	L103 E104 D108 M293	L103-Y106 HydrophobicContact CB-CD2 4.23Å; L103-Y106 HydrophobicContact CD2-CD2 4.46Å; L103-Y106 PolarHBondContact O-N 2.8Å; E104-Y106 PolarHBondContact O-N 3.02Å; Y106-D108 PolarHBondContact O-N 3.44Å; Y106-M293 HydrophobicContact CE1-CB 4.43Å; Y106-M293 PolarHBondContact OH-N 3.3Å
107	C	98.8	Very high	98.7	Very high	10 Å²	10	57.9 Å²	57.9	7%	0.068	30%	0.3	C	S	.	.			trans	-66.6	129.1	172.6	179.6	0	0	0	0	111	C93 E104 H109 M110	C93-C107 PolarHBondContact SG-SG 2.97Å; E104-C107 WeakPolarHBondContact O-CB 3.25Å; E104-C107 PolarHBondContact O-N 2.89Å; C107-H109 PolarHBondContact O-N 2.79Å; C107-H109 PolarHBondContact SG-N 3.41Å; C107-M110 HydrophobicContact CB-CB 4.19Å; C107-M110 VanDerWaalsContact O-CB 3.27Å; C107-M110 WeakPolarHBondContact O-CB 3.19Å; C107-M110 PolarHBondContact O-N 3Å
108	D	98.6	Very high	98.7	Very high	153 Å²	153	52.7 Å²	52.7	82%	0.818	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-12	174	-76.7	-31.8	0	0	0	114	Y106	Y106-D108 PolarHBondContact O-N 3.44Å
109	H	98.5	Very high	98.7	Very high	129 Å²	129	55.9 Å²	55.9	60%	0.597	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.1	28.9	176.8	-55.2	-38.1	0	0	0	111.8	C93 C107 T111	C93-H109 HydrophobicContact CB-CB 4.16Å; C107-H109 PolarHBondContact O-N 2.79Å; C107-H109 PolarHBondContact SG-N 3.41Å; H109-T111 PolarHBondContact O-N 3.43Å
110	M	98.7	Very high	98.7	Very high	55 Å²	55	57.6 Å²	57.6	27%	0.271	31%	0.313	S	S	.	.			trans	-60.4	132	170.8	-175.4	-87.2	-69.5	0	0	110.1	I89 E104 C107 G112 M293	I89-M110 HydrophobicContact CD1-CG 4.46Å; I89-M110 HydrophobicContact CG1-CG 4.12Å; I89-M110 HydrophobicContact CG1-SD 4.13Å; I89-M110 HydrophobicContact CG2-CG 3.88Å; I89-M110 HydrophobicContact CG2-SD 4.29Å; E104-M110 WeakPolarHBondContact O-CG 3.49Å; C107-M110 HydrophobicContact CB-CB 4.19Å; C107-M110 VanDerWaalsContact O-CB 3.27Å; C107-M110 WeakPolarHBondContact O-CB 3.19Å; C107-M110 PolarHBondContact O-N 3Å; M110-G112 PolarHBondContact SD-N 2.86Å; M110-M293 HydrophobicContact CE-CE 4.44Å
111	T	98.9	Very high	98.6	Very high	27 Å²	27	57.4 Å²	57.4	17%	0.166	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	110.9	173.7	-56.7	0	0	0	0	108.8	V90 D91 H109 T125	V90-T111 HydrophobicContact CG2-CG2 3.78Å; V90-T111 WeakPolarHBondContact CG2-O 3.14Å; V90-T111 PolarHBondContact N-O 3.39Å; D91-T111 HydrophobicContact CB-CG2 4.37Å; D91-T111 PolarHBondContact N-O 2.96Å; D91-T111 PolarHBondContact O-N 3.01Å; H109-T111 PolarHBondContact O-N 3.43Å; T111-T125 HydrophobicContact CG2-CG2 3.72Å
112	G	98.6	Very high	98.6	Very high	10 Å²	10	55.6 Å²	55.6	10%	0.103	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	150.8	177.2	0	0	0	0	0	112.4	C88 M110 Y114 S116 T125	C88-G112 WeakPolarHBondContact O-CA 3.29Å; M110-G112 PolarHBondContact SD-N 2.86Å; G112-Y114 PolarHBondContact O-N 3.26Å; G112-Y114 VanDerWaalsContact O-N 3.14Å; G112-S116 WeakPolarHBondContact CA-OG 3.3Å; G112-S116 PolarHBondContact N-OG 3.35Å; G112-T125 WeakPolarHBondContact O-CB 3.42Å; G112-T125 PolarHBondContact O-OG1 3.29Å
113	T	98.9	Very high	98.6	Very high	4 Å²	4	56.7 Å²	56.7	3%	0.025	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-27.1	-178.5	-54.5	0	0	0	0	113.9	H62 I64 V86 G87 C88 I89 V90 L126 I133	H62-T113 HydrophobicContact CB-CG2 4.27Å; I64-T113 HydrophobicContact CD1-CG2 3.78Å; V86-T113 HydrophobicContact CG1-CG2 4.32Å; G87-T113 PolarHBondContact O-OG1 2.84Å; C88-T113 WeakPolarHBondContact CA-OG1 3.2Å; C88-T113 PolarHBondContact O-N 3.4Å; C88-T113 VanDerWaalsContact O-N 3.09Å; C88-T113 PolarHBondContact O-OG1 3.31Å; I89-T113 PolarHBondContact N-OG1 2.84Å; V90-T113 HydrophobicContact CG1-CG2 3.95Å; T113-L126 CarbonylContact O-C 3.49Å; T113-I133 HydrophobicContact CG2-CD1 4.02Å
114	Y	98.8	Very high	98.6	Very high	19 Å²	19	54.4 Å²	54.4	8%	0.075	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-135.9	158	168.6	59.8	-103.1	0	0	0	110.9	S42 D43 Q46 V59 H62 G112 S116 T125	S42-Y114 WeakPolarHBondContact CB-OH 3.49Å; S42-Y114 PolarHBondContact O-OH 2.88Å; D43-Y114 WeakPolarHBondContact OD1-CE1 3.49Å; Q46-Y114 HydrophobicContact CB-CE2 3.8Å; Q46-Y114 HydrophobicContact CG-CD2 3.95Å; Q46-Y114 HydrophobicContact CG-CE2 3.55Å; V59-Y114 VanDerWaalsContact O-CB 3.27Å; V59-Y114 WeakPolarHBondContact O-CB 3.38Å; H62-Y114 HydrophobicContact CB-CD1 4.25Å; H62-Y114 HydrophobicContact CB-CE1 3.97Å; H62-Y114 AromaticContact CG-CE1 3.76Å; H62-Y114 AromaticContact ND1-CE1 3.31Å; H62-Y114 VanDerWaalsContact ND1-CE1 3.31Å; H62-Y114 WeakPolarHBondContact ND1-CE1 3.42Å; H62-Y114 AromaticContact ND1-CZ 3.77Å; G112-Y114 PolarHBondContact O-N 3.26Å; G112-Y114 VanDerWaalsContact O-N 3.14Å; Y114-S116 PolarHBondContact O-N 2.94Å; Y114-S116 VanDerWaalsContact O-N 3.15Å; Y114-T125 CarbonylContact C-O 3.58Å; Y114-T125 WeakPolarHBondContact CA-O 3.04Å; Y114-T125 WeakPolarHBondContact CA-OG1 3.5Å; Y114-T125 PolarHBondContact N-OG1 3.28Å
115	N	98.6	Very high	98.6	Very high	27 Å²	27	54.9 Å²	54.9	14%	0.144	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.9	7.6	173	-168.6	49.5	0	0	0	116.8	Q46 G53 V55 T125	Q46-N115 HydrophobicContact CG-CB 4.39Å; Q46-N115 PolarHBondContact NE2-ND2 3.04Å; G53-N115 PolarHBondContact O-ND2 2.93Å; G53-N115 PolarHBondContact O-OD1 3.13Å; V55-N115 PolarHBondContact N-OD1 3.11Å; N115-T125 PolarHBondContact N-O 3.28Å; N115-T125 PolarHBondContact N-OG1 3.21Å
116	S	98.5	Very high	98.6	Very high	25 Å²	25	55 Å²	55	18%	0.175	31%	0.309	C	S	.	.	S	Bend	trans	-94.8	147.4	173	-71	0	0	0	0	111.9	G112 Y114 H124 T125	G112-S116 WeakPolarHBondContact CA-OG 3.3Å; G112-S116 PolarHBondContact N-OG 3.35Å; Y114-S116 PolarHBondContact O-N 2.94Å; Y114-S116 VanDerWaalsContact O-N 3.15Å; S116-H124 CarbonylContact O-C 3.32Å; S116-H124 WeakPolarHBondContact O-CA 3.43Å; S116-T125 PolarHBondContact N-OG1 3.41Å; S116-T125 PolarHBondContact O-N 2.78Å; S116-T125 PolarHBondContact O-OG1 3.26Å
117	P	98.6	Very high	98.6	Very high	110 Å²	110	50.3 Å²	50.3	71%	0.714	29%	0.291	S	S	*	.	B	Isolated β-bridge	trans	-56.5	141.7	174.8	-23.3	33.6	0	0	0	112.3
118	T	98.8	Very high	98.6	Very high	30 Å²	30	49.8 Å²	49.8	18%	0.184	29%	0.288	C	S	.	.			trans	-152.8	152	176.6	175.7	0	0	0	0	110.3	D120 G123 T125	T118-D120 HydrophobicContact CG2-CB 3.93Å; T118-D120 PolarHBondContact O-N 2.88Å; T118-D120 PolarHBondContact OG1-N 3.34Å; T118-G123 PolarHBondContact N-O 2.81Å; T118-G123 VanDerWaalsContact N-O 3.09Å; T118-G123 CarbonylContact O-C 3.51Å; T118-G123 WeakPolarHBondContact O-CA 3.31Å; T118-T125 HydrophobicContact CG2-CG2 3.87Å
119	P	98.2	Very high	98.6	Very high	132 Å²	132	42.6 Å²	42.6	86%	0.857	25%	0.249	S	C	*	.	S	Bend	trans	-64.6	-19.4	168.9	28.1	-37.7	0	0	0	113.7
120	D	98.3	Very high	98.6	Very high	37 Å²	37	36.5 Å²	36.5	20%	0.198	22%	0.221	C	C	.	.	S	Bend	trans	-66.2	142.1	179.1	-65.7	-1.7	0	0	0	110.8	R23 T118 G123	R23-D120 WeakPolarHBondContact CD-OD1 3.5Å; R23-D120 WeakPolarHBondContact CD-OD2 3.29Å; R23-D120 WeakPolarHBondContact CG-OD2 3.45Å; R23-D120 IonicContact CZ-OD2 2.77Å; R23-D120 IonicContact NE-OD2 2.67Å; R23-D120 IonicContact NH1-OD2 3.87Å; R23-D120 PolarHBondContact NH1-OD2 2.88Å; T118-D120 HydrophobicContact CG2-CB 3.93Å; T118-D120 PolarHBondContact O-N 2.88Å; T118-D120 PolarHBondContact OG1-N 3.34Å; D120-G123 WeakPolarHBondContact O-CA 3.44Å; D120-G123 PolarHBondContact O-N 3.06Å
121	E	97.8	Very high	98.6	Very high	142 Å²	142	36.1 Å²	36.1	66%	0.664	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.9	137.2	170.3	-65.5	-176.6	153.3	0	0	110.5
122	P	97.9	Very high	98.6	Very high	75 Å²	75	36.3 Å²	36.3	49%	0.487	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	cis	-93.4	14.8	7.8	38.2	-38.1	0	0	0	115.3
123	G	98.5	Very high	98.6	Very high	37 Å²	37	36 Å²	36	38%	0.381	21%	0.213	S	C	.	.	S	Bend	trans	114.5	-5.6	-177.7	0	0	0	0	0	114.3	T118 D120	T118-G123 PolarHBondContact N-O 2.81Å; T118-G123 VanDerWaalsContact N-O 3.09Å; T118-G123 CarbonylContact O-C 3.51Å; T118-G123 WeakPolarHBondContact O-CA 3.31Å; D120-G123 WeakPolarHBondContact O-CA 3.44Å; D120-G123 PolarHBondContact O-N 3.06Å
124	H	98.8	Very high	98.6	Very high	13 Å²	13	36.1 Å²	36.1	6%	0.06	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-141.7	151.8	174.4	63.1	-82.3	0	0	0	111.2	V55 P57 S116	V55-H124 HydrophobicContact CB-CB 4.41Å; V55-H124 HydrophobicContact CG1-CB 4.36Å; V55-H124 VanDerWaalsContact CG1-ND1 3.35Å; V55-H124 WeakPolarHBondContact CG1-ND1 3.39Å; P57-H124 PolarHBondContact O-NE2 3.46Å; S116-H124 CarbonylContact O-C 3.32Å; S116-H124 WeakPolarHBondContact O-CA 3.43Å
125	T	98.9	Very high	98.6	Very high	15 Å²	15	35.3 Å²	35.3	9%	0.092	21%	0.211	C	C	.	.			trans	-67.4	142.4	-175.7	53.2	0	0	0	0	111.4	V90 T111 G112 Y114 N115 S116 T118	V90-T125 HydrophobicContact CG2-CG2 4.1Å; T111-T125 HydrophobicContact CG2-CG2 3.72Å; G112-T125 WeakPolarHBondContact O-CB 3.42Å; G112-T125 PolarHBondContact O-OG1 3.29Å; Y114-T125 CarbonylContact C-O 3.58Å; Y114-T125 WeakPolarHBondContact CA-O 3.04Å; Y114-T125 WeakPolarHBondContact CA-OG1 3.5Å; Y114-T125 PolarHBondContact N-OG1 3.28Å; N115-T125 PolarHBondContact N-O 3.28Å; N115-T125 PolarHBondContact N-OG1 3.21Å; S116-T125 PolarHBondContact N-OG1 3.41Å; S116-T125 PolarHBondContact O-N 2.78Å; S116-T125 PolarHBondContact O-OG1 3.26Å; T118-T125 HydrophobicContact CG2-CG2 3.87Å
126	L	98.9	Very high	98.7	Very high	6 Å²	6	36 Å²	36	3%	0.031	21%	0.213	C	C	.	.			trans	-116.3	132.3	178.1	-56.6	177.3	0	0	0	108.7	I20 R22 V59 T113	I20-L126 HydrophobicContact CB-CD1 3.82Å; I20-L126 HydrophobicContact CD1-CB 4.31Å; I20-L126 HydrophobicContact CD1-CD1 4.07Å; I20-L126 HydrophobicContact CG2-CD1 3.82Å; R22-L126 PolarHBondContact NH1-O 3.12Å; R22-L126 PolarHBondContact NH2-O 3.44Å; V59-L126 HydrophobicContact CB-CB 4.05Å; V59-L126 HydrophobicContact CB-CD2 4.2Å; V59-L126 HydrophobicContact CG2-CB 4.43Å; V59-L126 HydrophobicContact CG2-CD2 4.11Å; T113-L126 CarbonylContact O-C 3.49Å
127	G	98.9	Very high	98.7	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.211	C	C	.	.			trans	-85.8	-161.3	-168.6	0	0	0	0	0	115.9	R22 V59 P60 G61 Y129 S130	R22-G127 PolarHBondContact NH2-O 3.33Å; V59-G127 WeakPolarHBondContact O-CA 3.46Å; V59-G127 PolarHBondContact O-N 3.15Å; P60-G127 CarbonylContact O-C 3.56Å; P60-G127 VanDerWaalsContact O-C 3.26Å; P60-G127 WeakPolarHBondContact O-CA 3.24Å; G61-G127 CarbonylContact O-C 3.42Å; G61-G127 WeakPolarHBondContact O-CA 3.3Å; G127-Y129 PolarHBondContact O-N 3.1Å; G127-S130 PolarHBondContact O-OG 2.92Å
128	G	98.9	Very high	98.7	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.189	C	C	.	.	S	Bend	trans	-79.2	-5.4	-170.7	0	0	0	0	0	116.3	C37 P60 G61 I64 S130 N344	C37-G128 WeakPolarHBondContact CB-O 3.06Å; P60-G128 PolarHBondContact O-N 2.89Å; G61-G128 PolarHBondContact O-N 2.81Å; I64-G128 VanDerWaalsContact CD1-CA 3.45Å; G128-S130 PolarHBondContact O-N 3.45Å; G128-N344 PolarHBondContact O-ND2 3Å
129	Y	98.9	Very high	98.7	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.008	18%	0.18	C	C	.	.	S	Bend	trans	-75.9	46.3	171	-65.3	3.4	0	0	0	110.9	A5 V6 L15 C37 V39 D43 P60 G127 I324 Y328 I342	A5-Y129 CarbonylContact C-O 3.46Å; A5-Y129 WeakPolarHBondContact CA-O 3.06Å; A5-Y129 VanDerWaalsContact CB-O 3.29Å; A5-Y129 WeakPolarHBondContact CB-O 3.41Å; V6-Y129 PolarHBondContact N-O 3.33Å; V6-Y129 WeakPolarHBondContact O-CB 3.28Å; L15-Y129 HydrophobicContact CD1-CD2 4.4Å; L15-Y129 HydrophobicContact CD1-CE2 4.17Å; C37-Y129 HydrophobicContact CB-CD1 4.16Å; C37-Y129 HydrophobicContact CB-CE1 4.45Å; V39-Y129 WeakPolarHBondContact CG1-OH 3.39Å; D43-Y129 PolarHBondContact OD2-OH 3.31Å; P60-Y129 HydrophobicContact CB-CD2 4.07Å; P60-Y129 HydrophobicContact CB-CE2 3.85Å; P60-Y129 HydrophobicContact CG-CD2 4.19Å; P60-Y129 HydrophobicContact CG-CE2 4.11Å; P60-Y129 PolarHBondContact O-N 3.36Å; G127-Y129 PolarHBondContact O-N 3.1Å; Y129-I324 HydrophobicContact CD2-CD1 3.82Å; Y129-I324 HydrophobicContact CE2-CD1 4.04Å; Y129-I324 HydrophobicContact CE2-CG2 3.82Å; Y129-I324 HydrophobicContact CG-CD1 4.26Å; Y129-Y328 WeakPolarHBondContact CE2-OH 3.28Å; Y129-Y328 PolarHBondContact OH-OH 3.35Å; Y129-I342 HydrophobicContact CD1-CD1 3.35Å; Y129-I342 HydrophobicContact CD2-CD1 4.31Å; Y129-I342 HydrophobicContact CE1-CD1 3.27Å; Y129-I342 HydrophobicContact CE2-CD1 4.24Å; Y129-I342 HydrophobicContact CG-CD1 3.92Å
130	S	98.9	Very high	98.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.139	C	C	.	.	B	Isolated β-bridge	trans	-145.9	165	-174.3	60.3	0	0	0	0	110.7	K4 R22 I34 G127 G128 Q132 N344	K4-S130 WeakPolarHBondContact O-CA 3.38Å; R22-S130 PolarHBondContact NH2-OG 2.61Å; I34-S130 WeakPolarHBondContact CD1-O 3.34Å; G127-S130 PolarHBondContact O-OG 2.92Å; G128-S130 PolarHBondContact O-N 3.45Å; S130-Q132 PolarHBondContact OG-O 3.24Å; S130-N344 PolarHBondContact O-ND2 3.36Å
131	Q	98.8	Very high	98.8	Very high	48 Å²	48	24.6 Å²	24.6	22%	0.224	13%	0.13	C	C	.	.	S	Bend	trans	-74.8	-28	-179.6	-57.5	176	-77.4	0	0	112.9	I3 K4 I34 L347	I3-Q131 HydrophobicContact CG2-CB 4.07Å; K4-Q131 HydrophobicContact CB-CG 3.92Å; K4-Q131 VanDerWaalsContact CB-OE1 3.31Å; K4-Q131 PolarHBondContact O-N 2.95Å; I34-Q131 PolarHBondContact N-O 3.41Å; Q131-L347 HydrophobicContact CG-CB 4.06Å; Q131-L347 HydrophobicContact CG-CD1 3.82Å
132	Q	98.8	Very high	98.8	Very high	30 Å²	30	20.8 Å²	20.8	14%	0.14	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	150.4	-171.3	-65.7	-176.4	-35.1	0	0	111.9	I3 R22 I32 S130	I3-Q132 HydrophobicContact CD1-CB 4.15Å; I3-Q132 HydrophobicContact CG2-CB 4.3Å; R22-Q132 PolarHBondContact NE-O 3.42Å; R22-Q132 PolarHBondContact NH2-O 2.91Å; I32-Q132 VanDerWaalsContact O-CA 3.25Å; I32-Q132 WeakPolarHBondContact O-CA 3.36Å; S130-Q132 PolarHBondContact OG-O 3.24Å
133	I	98.9	Very high	98.9	Very high	4 Å²	4	17.5 Å²	17.5	2%	0.021	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	152.3	170.7	-164.6	171	0	0	0	110.1	I32 I34 I64 V86 V90 T113 V135	I32-I133 HydrophobicContact CB-CG2 3.9Å; I32-I133 HydrophobicContact CD1-CG2 4.25Å; I32-I133 HydrophobicContact CG2-CG2 4.47Å; I32-I133 PolarHBondContact N-O 3.19Å; I32-I133 PolarHBondContact O-N 2.93Å; I34-I133 HydrophobicContact CD1-CB 4.1Å; I34-I133 HydrophobicContact CD1-CG2 4.04Å; I34-I133 HydrophobicContact CG1-CG2 4.18Å; I64-I133 HydrophobicContact CD1-CD1 3.84Å; V86-I133 HydrophobicContact CG2-CG2 4.5Å; V90-I133 HydrophobicContact CG1-CD1 4.38Å; T113-I133 HydrophobicContact CG2-CD1 4.02Å; I133-V135 HydrophobicContact CD1-CG2 3.86Å; I133-V135 HydrophobicContact CG1-CG2 3.74Å; I133-V135 HydrophobicContact CG2-CG2 4.23Å
134	V	98.9	Very high	98.9	Very high	7 Å²	7	22.6 Å²	22.6	4%	0.042	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	121.7	175.7	-175.9	0	0	0	0	107.8	R22 R23 P25 D29 V30 K31	R22-V134 HydrophobicContact CB-CG2 4.2Å; R23-V134 HydrophobicContact CG-CB 4.27Å; R23-V134 HydrophobicContact CG-CG1 4.13Å; R23-V134 PolarHBondContact NH1-O 2.74Å; R23-V134 PolarHBondContact NH2-O 2.78Å; P25-V134 HydrophobicContact CB-CG1 4.39Å; P25-V134 HydrophobicContact CG-CG1 4.32Å; D29-V134 HydrophobicContact CB-CG1 3.73Å; V30-V134 WeakPolarHBondContact O-CA 3.38Å; K31-V134 HydrophobicContact CB-CG2 4.43Å; K31-V134 HydrophobicContact CG-CG2 4.17Å
135	V	98.9	Very high	98.9	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.006	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	142	-170.7	-174.3	0	0	0	0	109.7	V30 V86 V90 I133 E137 V140	V30-V135 PolarHBondContact N-O 3.43Å; V30-V135 PolarHBondContact O-N 3.13Å; V30-V135 VanDerWaalsContact O-N 3.08Å; V86-V135 HydrophobicContact CG1-CG2 4.15Å; V86-V135 HydrophobicContact CG2-CB 4.47Å; V86-V135 HydrophobicContact CG2-CG2 3.94Å; V90-V135 HydrophobicContact CB-CG1 4.11Å; V90-V135 HydrophobicContact CG1-CG1 4.12Å; V90-V135 HydrophobicContact CG1-CG2 3.96Å; I133-V135 HydrophobicContact CD1-CG2 3.86Å; I133-V135 HydrophobicContact CG1-CG2 3.74Å; I133-V135 HydrophobicContact CG2-CG2 4.23Å; V135-E137 PolarHBondContact O-N 2.8Å; V135-V140 HydrophobicContact CB-CG2 3.89Å; V135-V140 HydrophobicContact CG1-CG2 4Å
136	H	98.9	Very high	98.9	Very high	41 Å²	41	24.4 Å²	24.4	19%	0.19	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	134	174	-177.2	-70.6	0	0	0	110.2	N28 D29 R138 Y139	N28-H136 WeakPolarHBondContact CB-NE2 3.41Å; D29-H136 WeakPolarHBondContact OD1-CA 3.35Å; D29-H136 PolarHBondContact OD1-N 3.33Å; H136-R138 WeakPolarHBondContact ND1-CB 3.25Å; H136-R138 PolarHBondContact ND1-N 3.44Å; H136-R138 PolarHBondContact O-N 3.38Å; H136-Y139 HydrophobicContact CB-CD2 4.06Å; H136-Y139 HydrophobicContact CB-CE2 4.33Å; H136-Y139 PolarHBondContact O-N 2.98Å
137	E	98.9	Very high	98.8	Very high	27 Å²	27	30 Å²	30	13%	0.126	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-56.9	-25.3	-170.1	60.9	145	-122.3	0	0	114.7	N28 V30 V75 E76 K77 Y78 V135 Y139 V140	N28-E137 PolarHBondContact O-N 3.43Å; V30-E137 HydrophobicContact CG2-CB 3.78Å; V75-E137 WeakPolarHBondContact CA-OE2 3.13Å; V75-E137 HydrophobicContact CG1-CB 4.35Å; V75-E137 VanDerWaalsContact CG1-OE2 3.25Å; V75-E137 WeakPolarHBondContact CG1-OE2 3.48Å; V75-E137 HydrophobicContact CG2-CB 4.37Å; V75-E137 HydrophobicContact CG2-CG 4.43Å; E76-E137 PolarHBondContact N-OE2 3.2Å; K77-E137 VanDerWaalsContact CD-OE1 3.28Å; K77-E137 WeakPolarHBondContact CD-OE1 3.42Å; K77-E137 WeakPolarHBondContact CG-OE1 3.28Å; K77-E137 PolarHBondContact N-OE2 3.24Å; K77-E137 PolarHBondContact NZ-O 3.37Å; Y78-E137 HydrophobicContact CD2-CB 4.04Å; Y78-E137 HydrophobicContact CE2-CB 4.11Å; Y78-E137 WeakPolarHBondContact CE2-O 3.49Å; V135-E137 PolarHBondContact O-N 2.8Å; E137-Y139 PolarHBondContact O-N 3.49Å; E137-V140 PolarHBondContact O-N 3.28Å
138	R	98.8	Very high	98.8	Very high	67 Å²	67	37.4 Å²	37.4	25%	0.253	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-51.8	-41.3	171.4	179.7	172.3	178.3	152.8	0.7	112.5	C99 E104 H136 I297	C99-R138 PolarHBondContact O-NH2 3.49Å; E104-R138 IonicContact OE1-CZ 3.88Å; E104-R138 VanDerWaalsContact OE1-CZ 3.25Å; E104-R138 IonicContact OE1-NE 3.76Å; E104-R138 PolarHBondContact OE1-NE 2.98Å; E104-R138 IonicContact OE1-NH2 3.17Å; E104-R138 PolarHBondContact OE1-NH2 3.25Å; H136-R138 WeakPolarHBondContact ND1-CB 3.25Å; H136-R138 PolarHBondContact ND1-N 3.44Å; H136-R138 PolarHBondContact O-N 3.38Å; R138-I297 VanDerWaalsContact O-CG2 3.3Å; R138-I297 WeakPolarHBondContact O-CG2 3.27Å
139	Y	99	Very high	98.8	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-101.5	4.4	-172.1	-49.3	-89.5	0	0	0	113.4	I89 V90 D91 S92 K94 E104 H136 E137 L141 I297	I89-Y139 HydrophobicContact CB-CD1 4.27Å; I89-Y139 HydrophobicContact CG2-CD1 3.54Å; I89-Y139 HydrophobicContact CG2-CE1 3.82Å; I89-Y139 HydrophobicContact CG2-CG 4.47Å; V90-Y139 VanDerWaalsContact O-CD2 3.24Å; V90-Y139 WeakPolarHBondContact O-CD2 3.38Å; D91-Y139 HydrophobicContact CB-CE2 4.4Å; D91-Y139 WeakPolarHBondContact OD1-CE2 3.46Å; D91-Y139 PolarHBondContact OD1-OH 3.5Å; S92-Y139 PolarHBondContact N-OH 3.25Å; S92-Y139 PolarHBondContact OG-OH 3.41Å; K94-Y139 WeakPolarHBondContact CE-OH 3.31Å; K94-Y139 WeakPolarHBondContact CG-OH 3.34Å; E104-Y139 HydrophobicContact CB-CE1 4.22Å; E104-Y139 HydrophobicContact CG-CE1 4.07Å; H136-Y139 HydrophobicContact CB-CD2 4.06Å; H136-Y139 HydrophobicContact CB-CE2 4.33Å; H136-Y139 PolarHBondContact O-N 2.98Å; E137-Y139 PolarHBondContact O-N 3.49Å; Y139-L141 WeakPolarHBondContact O-CD2 3.18Å; Y139-I297 HydrophobicContact CD1-CD1 4.03Å; Y139-I297 HydrophobicContact CD1-CG1 3.82Å
140	V	99	Very high	98.8	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	142.3	170.7	-179	0	0	0	0	108.4	V30 I32 Y78 V84 V135 E137	V30-V140 HydrophobicContact CB-CG2 4.03Å; V30-V140 HydrophobicContact CG2-CG2 4.08Å; I32-V140 HydrophobicContact CD1-CG1 4.15Å; I32-V140 HydrophobicContact CD1-CG2 4.12Å; Y78-V140 HydrophobicContact CD1-CG1 4.41Å; Y78-V140 HydrophobicContact CD2-CB 4.37Å; Y78-V140 HydrophobicContact CD2-CG1 4.29Å; Y78-V140 HydrophobicContact CE1-CG1 4.02Å; Y78-V140 HydrophobicContact CE2-CB 3.74Å; Y78-V140 HydrophobicContact CE2-CG1 3.9Å; Y78-V140 PolarHBondContact OH-O 3.03Å; V84-V140 HydrophobicContact CB-CG1 3.64Å; V84-V140 HydrophobicContact CG1-CG1 3.75Å; V84-V140 HydrophobicContact CG2-CG1 4.19Å; V135-V140 HydrophobicContact CB-CG2 3.89Å; V135-V140 HydrophobicContact CG1-CG2 4Å; E137-V140 PolarHBondContact O-N 3.28Å
141	L	98.9	Very high	98.8	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	140	-176.7	-77.9	-79.1	0	0	0	108.9	V84 G85 Y139 L157 I297 T300 Q301 L304	V84-L141 CarbonylContact C-O 3.59Å; V84-L141 WeakPolarHBondContact CA-O 3.39Å; V84-L141 WeakPolarHBondContact CB-O 3.32Å; G85-L141 PolarHBondContact N-O 2.86Å; G85-L141 PolarHBondContact O-N 2.91Å; Y139-L141 WeakPolarHBondContact O-CD2 3.18Å; L141-L157 HydrophobicContact CB-CD1 4.21Å; L141-L157 HydrophobicContact CG-CD1 4.19Å; L141-I297 HydrophobicContact CD1-CG2 4.37Å; L141-I297 HydrophobicContact CD2-CD1 4.02Å; L141-I297 HydrophobicContact CD2-CG2 3.81Å; L141-T300 HydrophobicContact CD1-CG2 3.6Å; L141-T300 HydrophobicContact CG-CG2 3.88Å; L141-Q301 HydrophobicContact CD1-CB 3.81Å; L141-Q301 VanDerWaalsContact CD1-N 3.32Å; L141-L304 HydrophobicContact CB-CD1 3.65Å; L141-L304 HydrophobicContact CD1-CD1 3.92Å; L141-L304 HydrophobicContact CG-CD1 4.06Å
142	R	98.9	Very high	98.8	Very high	62 Å²	62	39 Å²	39	23%	0.234	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	128.6	176.3	-176.1	69.2	179.4	-122.2	14.8	109.7	Y78 D82 Q301	Y78-R142 HydrophobicContact CE1-CB 4.2Å; D82-R142 IonicContact OD1-CZ 3.83Å; D82-R142 IonicContact OD1-NH1 3.56Å; D82-R142 PolarHBondContact OD1-NH1 3.44Å; D82-R142 IonicContact OD1-NH2 3.24Å; D82-R142 PolarHBondContact OD1-NH2 2.76Å; D82-R142 IonicContact OD2-CZ 3.41Å; D82-R142 IonicContact OD2-NH1 2.93Å; D82-R142 PolarHBondContact OD2-NH1 3.36Å; R142-Q301 PolarHBondContact O-NE2 3.36Å
143	I	98.9	Very high	98.8	Very high	6 Å²	6	37.5 Å²	37.5	3%	0.031	17%	0.174	C	C	.	.			trans	-94.4	124.8	175.4	-51.9	-61.8	0	0	0	109.2	V65 L83 V84 H145 L150 V153 L157 L304	V65-I143 HydrophobicContact CG1-CD1 4.27Å; V65-I143 HydrophobicContact CG1-CG1 4.48Å; L83-I143 HydrophobicContact CB-CB 4.07Å; L83-I143 PolarHBondContact O-N 2.6Å; V84-I143 VanDerWaalsContact C-CG1 3.46Å; I143-H145 HydrophobicContact CG2-CB 4.23Å; I143-L150 HydrophobicContact CG2-CD1 4.3Å; I143-V153 HydrophobicContact CD1-CG1 3.79Å; I143-V153 HydrophobicContact CG2-CG1 3.97Å; I143-V153 HydrophobicContact CG2-CG2 4.47Å; I143-L157 HydrophobicContact CD1-CD2 4.36Å; I143-L304 HydrophobicContact CD1-CD1 3.88Å; I143-L304 HydrophobicContact CD1-CD2 4.04Å
144	R	98.8	Very high	98.8	Very high	145 Å²	145	37.3 Å²	37.3	55%	0.547	17%	0.173	S	C	.	.			trans	-105.8	-11.7	-179.3	-62.7	-60.3	-173	-177.5	-1	113.9	D305 A308	R144-D305 WeakPolarHBondContact CG-OD1 3.26Å; R144-A308 HydrophobicContact CB-CB 3.73Å
145	H	98.8	Very high	98.8	Very high	4 Å²	4	37 Å²	37	2%	0.019	17%	0.171	C	C	.	.	S	Bend	trans	-60.8	152.3	171.3	-63.4	73.2	0	0	0	111.8	I143 Q149 V153 C307 A308 I312	I143-H145 HydrophobicContact CG2-CB 4.23Å; H145-Q149 HydrophobicContact CB-CB 4.33Å; H145-V153 HydrophobicContact CB-CG2 3.64Å; H145-C307 PolarHBondContact NE2-O 3.43Å; H145-A308 PolarHBondContact CE1-N 3.29Å; H145-A308 VanDerWaalsContact CE1-N 3.3Å; H145-A308 PolarHBondContact NE2-N 3.27Å; H145-I312 PolarHBondContact NE2-O 2.95Å
146	P	98.5	Very high	98.8	Very high	61 Å²	61	37 Å²	37	40%	0.396	17%	0.17	S	C	.	.			trans	-52.3	145	167.8	-25.1	33.7	0	0	0	112.2	E148 Q149	P146-E148 HydrophobicContact CB-CG 4.13Å; P146-E148 WeakPolarHBondContact CB-OE1 3.49Å; P146-E148 WeakPolarHBondContact CB-OE2 3.5Å; P146-E148 PolarHBondContact O-N 3.03Å; P146-E148 VanDerWaalsContact O-N 3.13Å; P146-Q149 WeakPolarHBondContact O-CB 3.48Å; P146-Q149 PolarHBondContact O-N 3.34Å
147	Q	98.3	Very high	98.8	Very high	124 Å²	124	35.1 Å²	35.1	58%	0.579	16%	0.162	S	C	*	.	G	3₁₀ helix	trans	-59.7	-28.5	-176.9	69.4	173.7	-13	0	0	113.2	L83 Q149 L150	L83-Q147 HydrophobicContact CD1-CB 3.92Å; Q147-Q149 PolarHBondContact O-N 3.04Å; Q147-L150 WeakPolarHBondContact O-CB 3.37Å; Q147-L150 PolarHBondContact O-N 2.93Å
148	E	98.5	Very high	98.8	Very high	155 Å²	155	34.2 Å²	34.2	72%	0.724	16%	0.158	S	C	*	.	G	3₁₀ helix	trans	-65.8	-19.3	176.5	61	-94.7	-155.9	0	0	113.2	P146	P146-E148 HydrophobicContact CB-CG 4.13Å; P146-E148 WeakPolarHBondContact CB-OE1 3.49Å; P146-E148 WeakPolarHBondContact CB-OE2 3.5Å; P146-E148 PolarHBondContact O-N 3.03Å; P146-E148 VanDerWaalsContact O-N 3.13Å
149	Q	98.7	Very high	98.8	Very high	58 Å²	58	31 Å²	31	27%	0.271	15%	0.146	S	C	.	.	G	3₁₀ helix	trans	-94.3	-1.3	178.7	-68.6	-171.3	-40.8	0	0	113.2	H145 P146 Q147 A151 A152 V153 V313	H145-Q149 HydrophobicContact CB-CB 4.33Å; P146-Q149 WeakPolarHBondContact O-CB 3.48Å; P146-Q149 PolarHBondContact O-N 3.34Å; Q147-Q149 PolarHBondContact O-N 3.04Å; Q149-A151 VanDerWaalsContact C-N 3.3Å; Q149-A151 PolarHBondContact O-N 3.32Å; Q149-A151 VanDerWaalsContact O-N 3.15Å; Q149-A152 WeakPolarHBondContact O-CA 3.49Å; Q149-A152 PolarHBondContact O-N 3.05Å; Q149-V153 WeakPolarHBondContact O-CG2 3.47Å; Q149-V153 PolarHBondContact O-N 3.16Å; Q149-V153 VanDerWaalsContact O-N 3.1Å; Q149-V313 HydrophobicContact CB-CG1 4.21Å
150	L	98.8	Very high	98.8	Very high	2 Å²	2	31 Å²	31	1%	0.01	15%	0.146	C	C	.	.	H	α-helix	trans	-52	-46.2	-169.3	-155.4	91.8	0	0	0	112.8	A35 Y36 V65 L83 I143 Q147 A152 V153 A154	A35-L150 HydrophobicContact CB-CD2 3.63Å; Y36-L150 HydrophobicContact CD2-CB 4.17Å; Y36-L150 HydrophobicContact CD2-CD2 3.88Å; Y36-L150 HydrophobicContact CD2-CG 4.37Å; Y36-L150 HydrophobicContact CE2-CB 4.05Å; Y36-L150 HydrophobicContact CE2-CD2 4.04Å; V65-L150 HydrophobicContact CB-CD2 4.03Å; V65-L150 HydrophobicContact CB-CG 3.91Å; V65-L150 HydrophobicContact CG2-CD2 3.87Å; V65-L150 HydrophobicContact CG2-CG 3.85Å; V65-L150 WeakPolarHBondContact CG2-O 3.48Å; L83-L150 HydrophobicContact CB-CD1 4.12Å; L83-L150 HydrophobicContact CD1-CD1 3.95Å; L83-L150 HydrophobicContact CD2-CD1 3.83Å; L83-L150 HydrophobicContact CG-CD1 4.18Å; I143-L150 HydrophobicContact CG2-CD1 4.3Å; Q147-L150 WeakPolarHBondContact O-CB 3.37Å; Q147-L150 PolarHBondContact O-N 2.93Å; L150-A152 VanDerWaalsContact C-N 3.3Å; L150-A152 PolarHBondContact O-N 3.46Å; L150-V153 WeakPolarHBondContact O-CB 3.49Å; L150-V153 PolarHBondContact O-N 2.77Å; L150-V153 VanDerWaalsContact O-N 3.09Å; L150-A154 PolarHBondContact O-N 3.33Å
151	A	98.9	Very high	98.8	Very high	8 Å²	8	31.1 Å²	31.1	7%	0.066	15%	0.147	C	C	.	.	H	α-helix	trans	-58.1	-41.7	178.5	0	0	0	0	0	112.5	Y36 Q149 V153 A154 I316 M318 V341	Y36-A151 HydrophobicContact CD1-CB 3.76Å; Y36-A151 VanDerWaalsContact CD2-CA 3.47Å; Y36-A151 HydrophobicContact CD2-CB 3.7Å; Y36-A151 HydrophobicContact CE1-CB 3.91Å; Y36-A151 HydrophobicContact CE2-CB 3.85Å; Y36-A151 HydrophobicContact CG-CB 3.68Å; Q149-A151 VanDerWaalsContact C-N 3.3Å; Q149-A151 PolarHBondContact O-N 3.32Å; Q149-A151 VanDerWaalsContact O-N 3.15Å; A151-V153 VanDerWaalsContact C-N 3.27Å; A151-V153 PolarHBondContact O-N 3.24Å; A151-A154 VanDerWaalsContact O-CB 3.32Å; A151-A154 WeakPolarHBondContact O-CB 3.47Å; A151-A154 PolarHBondContact O-N 3.01Å; A151-I316 HydrophobicContact CB-CD1 3.68Å; A151-M318 HydrophobicContact CB-CE 3.52Å; A151-V341 HydrophobicContact CB-CG1 4.25Å
152	A	98.9	Very high	98.8	Very high	15 Å²	15	31.5 Å²	31.5	12%	0.124	15%	0.149	C	C	.	.	H	α-helix	trans	-76.5	-14.9	-179.3	0	0	0	0	0	113.1	Q149 L150 V313 A314 I316	Q149-A152 WeakPolarHBondContact O-CA 3.49Å; Q149-A152 PolarHBondContact O-N 3.05Å; L150-A152 VanDerWaalsContact C-N 3.3Å; L150-A152 PolarHBondContact O-N 3.46Å; A152-V313 HydrophobicContact CB-CB 3.69Å; A152-V313 HydrophobicContact CB-CG1 4.21Å; A152-V313 HydrophobicContact CB-CG2 3.89Å; A152-A314 WeakPolarHBondContact O-CB 3.39Å; A152-A314 PolarHBondContact O-N 3.01Å; A152-I316 HydrophobicContact CB-CD1 4.24Å; A152-I316 HydrophobicContact CB-CG1 4.3Å
153	V	98.9	Very high	98.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-79.2	-28	171	175.1	0	0	0	0	111.7	V65 I143 H145 Q149 L150 A151 P155 L156 L157 L304 V313	V65-V153 HydrophobicContact CG1-CB 4.5Å; V65-V153 HydrophobicContact CG1-CG1 4.21Å; I143-V153 HydrophobicContact CD1-CG1 3.79Å; I143-V153 HydrophobicContact CG2-CG1 3.97Å; I143-V153 HydrophobicContact CG2-CG2 4.47Å; H145-V153 HydrophobicContact CB-CG2 3.64Å; Q149-V153 WeakPolarHBondContact O-CG2 3.47Å; Q149-V153 PolarHBondContact O-N 3.16Å; Q149-V153 VanDerWaalsContact O-N 3.1Å; L150-V153 WeakPolarHBondContact O-CB 3.49Å; L150-V153 PolarHBondContact O-N 2.77Å; L150-V153 VanDerWaalsContact O-N 3.09Å; A151-V153 VanDerWaalsContact C-N 3.27Å; A151-V153 PolarHBondContact O-N 3.24Å; V153-P155 VanDerWaalsContact C-N 3.34Å; V153-L156 HydrophobicContact CG1-CD1 4.18Å; V153-L156 WeakPolarHBondContact O-CB 3.35Å; V153-L156 WeakPolarHBondContact O-CG 3.25Å; V153-L156 PolarHBondContact O-N 3Å; V153-L157 HydrophobicContact CG1-CD2 4.26Å; V153-L157 WeakPolarHBondContact O-CD2 3.27Å; V153-L304 HydrophobicContact CG1-CD2 4.02Å; V153-V313 HydrophobicContact CG2-CG1 4.12Å
154	A	98.9	Very high	98.8	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-50.1	-46.9	-174.8	0	0	0	0	0	113.2	E63 V65 L150 A151 L156 L157 V341	E63-A154 VanDerWaalsContact CB-O 3.28Å; E63-A154 WeakPolarHBondContact CB-O 3.42Å; E63-A154 WeakPolarHBondContact O-CB 3.34Å; V65-A154 HydrophobicContact CG1-CB 4.19Å; V65-A154 HydrophobicContact CG2-CB 3.69Å; L150-A154 PolarHBondContact O-N 3.33Å; A151-A154 VanDerWaalsContact O-CB 3.32Å; A151-A154 WeakPolarHBondContact O-CB 3.47Å; A151-A154 PolarHBondContact O-N 3.01Å; A154-L156 PolarHBondContact O-N 3.15Å; A154-L157 PolarHBondContact O-N 3.23Å; A154-V341 HydrophobicContact CB-CG1 4.3Å
155	P	98.9	Very high	98.8	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-69.2	-14	178.8	-19.9	34.6	0	0	0	115.3	E63 V153 L157 C158 A159 G160 A314 I316 R339 V341	E63-P155 WeakPolarHBondContact OE2-CA 3.32Å; V153-P155 VanDerWaalsContact C-N 3.34Å; P155-L157 PolarHBondContact O-N 3.11Å; P155-C158 PolarHBondContact O-N 3.48Å; P155-A159 HydrophobicContact CB-CB 4.4Å; P155-A159 WeakPolarHBondContact O-CA 3.26Å; P155-A159 WeakPolarHBondContact O-CB 3.49Å; P155-A159 PolarHBondContact O-N 2.8Å; P155-G160 PolarHBondContact O-N 3.5Å; P155-A314 HydrophobicContact CB-CB 3.78Å; P155-A314 HydrophobicContact CG-CB 3.77Å; P155-I316 HydrophobicContact CG-CG2 3.92Å; P155-R339 HydrophobicContact CB-CB 4.26Å; P155-R339 HydrophobicContact CB-CG 3.94Å; P155-R339 HydrophobicContact CG-CB 3.93Å; P155-R339 HydrophobicContact CG-CG 4.19Å; P155-V341 HydrophobicContact CG-CG2 3.74Å
156	L	98.9	Very high	98.8	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-63.5	-29	176.2	-56.2	-172.6	0	0	0	111.6	V153 A154 C158 G160 I161 M189 M303 L304 C307	V153-L156 HydrophobicContact CG1-CD1 4.18Å; V153-L156 WeakPolarHBondContact O-CB 3.35Å; V153-L156 WeakPolarHBondContact O-CG 3.25Å; V153-L156 PolarHBondContact O-N 3Å; A154-L156 PolarHBondContact O-N 3.15Å; L156-C158 PolarHBondContact O-N 2.87Å; L156-G160 VanDerWaalsContact O-CA 3.26Å; L156-G160 WeakPolarHBondContact O-CA 3.46Å; L156-G160 PolarHBondContact O-N 2.87Å; L156-I161 PolarHBondContact O-N 2.75Å; L156-M189 HydrophobicContact CD2-CE 3.18Å; L156-M189 HydrophobicContact CD2-SD 3.77Å; L156-M303 HydrophobicContact CB-CE 3.7Å; L156-M303 HydrophobicContact CB-SD 4.45Å; L156-M303 WeakPolarHBondContact O-CE 3.35Å; L156-L304 HydrophobicContact CB-CD2 4.1Å; L156-L304 HydrophobicContact CD1-CD2 4.28Å; L156-C307 HydrophobicContact CD1-CB 3.81Å
157	L	98.9	Very high	98.8	Very high	2 Å²	2	18.8 Å²	18.8	1%	0.01	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-69.5	-12	-175.5	-76.4	-60	0	0	0	114.2	V65 L141 I143 V153 A154 P155 T300 L304	V65-L157 HydrophobicContact CG1-CD2 4Å; L141-L157 HydrophobicContact CB-CD1 4.21Å; L141-L157 HydrophobicContact CG-CD1 4.19Å; I143-L157 HydrophobicContact CD1-CD2 4.36Å; V153-L157 HydrophobicContact CG1-CD2 4.26Å; V153-L157 WeakPolarHBondContact O-CD2 3.27Å; A154-L157 PolarHBondContact O-N 3.23Å; P155-L157 PolarHBondContact O-N 3.11Å; L157-T300 HydrophobicContact CD1-CG2 4.37Å; L157-L304 HydrophobicContact CD1-CD1 4.15Å; L157-L304 HydrophobicContact CD2-CD2 4.2Å
158	C	98.7	Very high	98.8	Very high	8 Å²	8	17.3 Å²	17.3	5%	0.054	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-135.5	-55.9	167.2	170.2	0	0	0	0	111	E63 P155 L156 G160 I161 T162	E63-C158 HydrophobicContact CG-CB 3.58Å; E63-C158 VanDerWaalsContact OE1-CB 3.32Å; E63-C158 WeakPolarHBondContact OE1-CB 3.37Å; P155-C158 PolarHBondContact O-N 3.48Å; L156-C158 PolarHBondContact O-N 2.87Å; C158-G160 VanDerWaalsContact C-N 3.32Å; C158-G160 PolarHBondContact O-N 3.05Å; C158-I161 PolarHBondContact O-N 3.16Å; C158-T162 WeakPolarHBondContact O-CB 3.12Å; C158-T162 PolarHBondContact O-N 3.46Å; C158-T162 PolarHBondContact O-OG1 3.3Å
159	A	98.5	Very high	98.8	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-60.2	-42.3	-179.4	0	0	0	0	0	113	E63 P155 T163 L186 M189	E63-A159 PolarHBondContact OE1-N 2.97Å; P155-A159 HydrophobicContact CB-CB 4.4Å; P155-A159 WeakPolarHBondContact O-CA 3.26Å; P155-A159 WeakPolarHBondContact O-CB 3.49Å; P155-A159 PolarHBondContact O-N 2.8Å; A159-T163 PolarHBondContact O-N 3.36Å; A159-T163 PolarHBondContact O-OG1 3Å; A159-L186 HydrophobicContact CB-CD2 4.17Å; A159-M189 HydrophobicContact CB-CG 3.97Å
160	G	98.8	Very high	98.8	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-61.6	-63.9	176.2	0	0	0	0	0	110.2	P155 L156 C158 T162 T163 Y164	P155-G160 PolarHBondContact O-N 3.5Å; L156-G160 VanDerWaalsContact O-CA 3.26Å; L156-G160 WeakPolarHBondContact O-CA 3.46Å; L156-G160 PolarHBondContact O-N 2.87Å; C158-G160 VanDerWaalsContact C-N 3.32Å; C158-G160 PolarHBondContact O-N 3.05Å; G160-T162 VanDerWaalsContact C-N 3.33Å; G160-T162 PolarHBondContact O-N 2.84Å; G160-T163 PolarHBondContact O-N 2.78Å; G160-T163 PolarHBondContact O-OG1 3.27Å; G160-Y164 WeakPolarHBondContact O-CB 3.47Å; G160-Y164 PolarHBondContact O-N 3.04Å
161	I	98.9	Very high	98.8	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.01	11%	0.107	C	C	.	.	H	α-helix	trans	-63.4	-38	-172.1	-174.7	60.2	0	0	0	112.9	L156 C158 T163 Y164 S165 I294 E299 T300 M303	L156-I161 PolarHBondContact O-N 2.75Å; C158-I161 PolarHBondContact O-N 3.16Å; I161-T163 PolarHBondContact O-N 2.95Å; I161-T163 VanDerWaalsContact O-N 3.11Å; I161-Y164 HydrophobicContact CD1-CD1 4.23Å; I161-Y164 PolarHBondContact O-N 3.25Å; I161-S165 VanDerWaalsContact O-CB 3.3Å; I161-S165 WeakPolarHBondContact O-CB 3.37Å; I161-S165 PolarHBondContact O-N 3.35Å; I161-I294 HydrophobicContact CG2-CB 4.49Å; I161-E299 HydrophobicContact CD1-CB 4.24Å; I161-E299 HydrophobicContact CD1-CG 3.88Å; I161-T300 HydrophobicContact CB-CG2 4.36Å; I161-T300 WeakPolarHBondContact CG1-OG1 3.35Å; I161-M303 VanDerWaalsContact CA-SD 3.59Å; I161-M303 HydrophobicContact CB-SD 4.01Å; I161-M303 HydrophobicContact CD1-CB 4.26Å; I161-M303 PolarHBondContact N-SD 3.19Å
162	T	98.9	Very high	98.8	Very high	10 Å²	10	23 Å²	23	6%	0.061	11%	0.108	C	C	.	.	H	α-helix	trans	-59.2	-27.3	176.6	-60.8	0	0	0	0	112.6	C158 G160 P166 L186 V267	C158-T162 WeakPolarHBondContact O-CB 3.12Å; C158-T162 PolarHBondContact O-N 3.46Å; C158-T162 PolarHBondContact O-OG1 3.3Å; G160-T162 VanDerWaalsContact C-N 3.33Å; G160-T162 PolarHBondContact O-N 2.84Å; T162-P166 WeakPolarHBondContact O-CD 3.25Å; T162-P166 VanDerWaalsContact O-CG 3.25Å; T162-P166 WeakPolarHBondContact O-CG 3.48Å; T162-L186 HydrophobicContact CG2-CD1 4.41Å; T162-L186 HydrophobicContact CG2-CD2 3.82Å; T162-V267 HydrophobicContact CG2-CB 3.8Å; T162-V267 HydrophobicContact CG2-CG1 4.18Å; T162-V267 HydrophobicContact CG2-CG2 4.35Å
163	T	98.9	Very high	98.8	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-98.2	-33.2	176.5	56.1	0	0	0	0	112.7	A159 G160 I161 P166 L167 L186 M189 L193 L242 T244	A159-T163 PolarHBondContact O-N 3.36Å; A159-T163 PolarHBondContact O-OG1 3Å; G160-T163 PolarHBondContact O-N 2.78Å; G160-T163 PolarHBondContact O-OG1 3.27Å; I161-T163 PolarHBondContact O-N 2.95Å; I161-T163 VanDerWaalsContact O-N 3.11Å; T163-P166 WeakPolarHBondContact O-CG 3.21Å; T163-L167 WeakPolarHBondContact O-CB 3.5Å; T163-L167 VanDerWaalsContact O-CD1 3.28Å; T163-L167 WeakPolarHBondContact O-CD1 3.37Å; T163-L167 WeakPolarHBondContact O-CG 3.3Å; T163-L167 PolarHBondContact O-N 2.92Å; T163-L186 HydrophobicContact CG2-CB 4.08Å; T163-L186 HydrophobicContact CG2-CD2 3.98Å; T163-L186 WeakPolarHBondContact CG2-O 3.1Å; T163-M189 WeakPolarHBondContact OG1-CB 3.1Å; T163-L193 WeakPolarHBondContact OG1-CD1 3.41Å; T163-L242 HydrophobicContact CG2-CD2 3.82Å; T163-T244 HydrophobicContact CG2-CG2 4.47Å
164	Y	98.9	Very high	98.8	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-64.2	-47.9	175.7	-173.6	-93.4	0	0	0	112.7	G160 I161 L167 R168 L193 M197 E299 E302 M303 F306	G160-Y164 WeakPolarHBondContact O-CB 3.47Å; G160-Y164 PolarHBondContact O-N 3.04Å; I161-Y164 HydrophobicContact CD1-CD1 4.23Å; I161-Y164 PolarHBondContact O-N 3.25Å; Y164-L167 WeakPolarHBondContact O-CB 3.28Å; Y164-L167 PolarHBondContact O-N 2.89Å; Y164-L167 VanDerWaalsContact O-N 3.11Å; Y164-R168 HydrophobicContact CD1-CG 3.77Å; Y164-R168 HydrophobicContact CE1-CG 3.36Å; Y164-R168 HydrophobicContact CE2-CG 4.29Å; Y164-R168 HydrophobicContact CG-CG 4.4Å; Y164-R168 PolarHBondContact O-N 3.26Å; Y164-R168 VanDerWaalsContact OH-CZ 3.31Å; Y164-R168 PolarHBondContact OH-NE 3.1Å; Y164-R168 PolarHBondContact OH-NH2 3.22Å; Y164-L193 HydrophobicContact CD2-CD1 4.47Å; Y164-L193 HydrophobicContact CD2-CD2 4.26Å; Y164-M197 HydrophobicContact CD2-CE 3.31Å; Y164-M197 HydrophobicContact CE2-CE 3.33Å; Y164-M197 HydrophobicContact CG-CE 4.06Å; Y164-E299 HydrophobicContact CD1-CG 4.08Å; Y164-E299 HydrophobicContact CE1-CG 4.07Å; Y164-E302 VanDerWaalsContact CE1-OE2 3.22Å; Y164-E302 WeakPolarHBondContact CE1-OE2 3.19Å; Y164-E302 VanDerWaalsContact CZ-OE2 3.28Å; Y164-E302 PolarHBondContact OH-OE2 3.02Å; Y164-M303 HydrophobicContact CD1-CB 3.67Å; Y164-M303 HydrophobicContact CD1-CG 4.02Å; Y164-M303 HydrophobicContact CD2-CB 4Å; Y164-M303 HydrophobicContact CD2-CG 3.6Å; Y164-M303 HydrophobicContact CE1-CB 3.88Å; Y164-M303 HydrophobicContact CE2-CB 4.22Å; Y164-M303 HydrophobicContact CE2-CG 4.19Å; Y164-M303 HydrophobicContact CG-CB 3.71Å; Y164-M303 HydrophobicContact CG-CG 3.5Å; Y164-M303 VanDerWaalsContact CG-CG 3.5Å; Y164-F306 HydrophobicContact CE2-CB 4.36Å; Y164-F306 AromaticContact CE2-CD1 3.86Å; Y164-F306 HydrophobicContact CE2-CD1 3.86Å; Y164-F306 HydrophobicContact CE2-CE1 4.42Å; Y164-F306 HydrophobicContact CE2-CG 4.14Å
165	S	98.9	Very high	98.8	Very high	11 Å²	11	31.8 Å²	31.8	8%	0.077	18%	0.179	C	C	.	.	H	α-helix	trans	-55.1	-54.5	-176.6	-174.9	0	0	0	0	112.7	I161 L167 R168 H169 I294 E299	I161-S165 VanDerWaalsContact O-CB 3.3Å; I161-S165 WeakPolarHBondContact O-CB 3.37Å; I161-S165 PolarHBondContact O-N 3.35Å; S165-L167 PolarHBondContact O-N 3.23Å; S165-R168 PolarHBondContact O-N 3.04Å; S165-H169 WeakPolarHBondContact O-CB 3.41Å; S165-H169 PolarHBondContact O-N 2.97Å; S165-I294 VanDerWaalsContact CB-O 3.24Å; S165-I294 WeakPolarHBondContact CB-O 3.25Å; S165-E299 WeakPolarHBondContact CA-OE1 3.35Å; S165-E299 WeakPolarHBondContact CA-OE2 3.44Å; S165-E299 WeakPolarHBondContact CB-OE2 3.37Å; S165-E299 PolarHBondContact OG-OE2 2.75Å
166	P	98.9	Very high	98.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-67.5	-33.7	175.4	27.7	-36.3	0	0	0	112.9	T162 T163 R168 H169 W170 F240 L242 T265 V267	T162-P166 WeakPolarHBondContact O-CD 3.25Å; T162-P166 VanDerWaalsContact O-CG 3.25Å; T162-P166 WeakPolarHBondContact O-CG 3.48Å; T163-P166 WeakPolarHBondContact O-CG 3.21Å; P166-R168 VanDerWaalsContact C-N 3.29Å; P166-R168 PolarHBondContact O-N 3.23Å; P166-H169 PolarHBondContact O-N 3.04Å; P166-W170 HydrophobicContact CB-CE3 3.71Å; P166-W170 HydrophobicContact CB-CZ3 3.62Å; P166-W170 VanDerWaalsContact O-CE3 3.27Å; P166-W170 PolarHBondContact O-N 3.24Å; P166-F240 HydrophobicContact CB-CZ 4.11Å; P166-L242 HydrophobicContact CB-CD1 4.21Å; P166-L242 HydrophobicContact CG-CD1 3.64Å; P166-T265 HydrophobicContact CB-CG2 3.96Å; P166-V267 HydrophobicContact CG-CG1 4.15Å
167	L	98.9	Very high	98.8	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-59.8	-41.7	174.3	-75.2	168.5	0	0	0	111.5	T163 Y164 S165 Q171 A172 V178 L193 A194 M197 F240 L242	T163-L167 WeakPolarHBondContact O-CB 3.5Å; T163-L167 VanDerWaalsContact O-CD1 3.28Å; T163-L167 WeakPolarHBondContact O-CD1 3.37Å; T163-L167 WeakPolarHBondContact O-CG 3.3Å; T163-L167 PolarHBondContact O-N 2.92Å; Y164-L167 WeakPolarHBondContact O-CB 3.28Å; Y164-L167 PolarHBondContact O-N 2.89Å; Y164-L167 VanDerWaalsContact O-N 3.11Å; S165-L167 PolarHBondContact O-N 3.23Å; L167-Q171 PolarHBondContact O-N 3.1Å; L167-A172 HydrophobicContact CB-CB 4.06Å; L167-A172 HydrophobicContact CD2-CB 3.64Å; L167-A172 HydrophobicContact CG-CB 4.47Å; L167-A172 VanDerWaalsContact O-CB 3.3Å; L167-A172 WeakPolarHBondContact O-CB 3.46Å; L167-A172 PolarHBondContact O-N 3.09Å; L167-V178 HydrophobicContact CD2-CG1 3.86Å; L167-L193 HydrophobicContact CD1-CB 3.84Å; L167-A194 HydrophobicContact CD1-CB 4.03Å; L167-A194 HydrophobicContact CD2-CB 3.8Å; L167-M197 HydrophobicContact CB-CE 3.93Å; L167-M197 HydrophobicContact CB-SD 3.79Å; L167-F240 HydrophobicContact CD2-CD1 4.12Å; L167-F240 HydrophobicContact CD2-CE1 3.88Å; L167-F240 HydrophobicContact CG-CE1 4.46Å; L167-L242 HydrophobicContact CD1-CD2 4.49Å; L167-L242 HydrophobicContact CG-CD2 4.32Å
168	R	98.7	Very high	98.8	Very high	93 Å²	93	36.6 Å²	36.6	35%	0.351	20%	0.2	S	C	.	.	H	α-helix	trans	-68.4	-49.4	174	-75.6	-57.3	-167.8	-171.7	-1.2	112.6	Y164 S165 P166 W170 Q171 M197 E302	Y164-R168 HydrophobicContact CD1-CG 3.77Å; Y164-R168 HydrophobicContact CE1-CG 3.36Å; Y164-R168 HydrophobicContact CE2-CG 4.29Å; Y164-R168 HydrophobicContact CG-CG 4.4Å; Y164-R168 PolarHBondContact O-N 3.26Å; Y164-R168 VanDerWaalsContact OH-CZ 3.31Å; Y164-R168 PolarHBondContact OH-NE 3.1Å; Y164-R168 PolarHBondContact OH-NH2 3.22Å; S165-R168 PolarHBondContact O-N 3.04Å; P166-R168 VanDerWaalsContact C-N 3.29Å; P166-R168 PolarHBondContact O-N 3.23Å; R168-W170 VanDerWaalsContact C-N 3.3Å; R168-W170 PolarHBondContact O-N 2.89Å; R168-Q171 WeakPolarHBondContact O-CA 3.44Å; R168-Q171 PolarHBondContact O-N 3.43Å; R168-M197 HydrophobicContact CG-CE 3.93Å; R168-E302 IonicContact NE-OE2 2.85Å
169	H	98.8	Very high	98.8	Very high	134 Å²	134	36.2 Å²	36.2	62%	0.62	20%	0.197	S	C	*	.	H	α-helix	trans	-56.5	-43.3	-178.7	-172.2	85.4	0	0	0	112.3	S165 P166 Q171	S165-H169 WeakPolarHBondContact O-CB 3.41Å; S165-H169 PolarHBondContact O-N 2.97Å; P166-H169 PolarHBondContact O-N 3.04Å; H169-Q171 VanDerWaalsContact C-N 3.29Å; H169-Q171 PolarHBondContact O-N 3.27Å
170	W	98.8	Very high	98.8	Very high	60 Å²	60	36.2 Å²	36.2	23%	0.227	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	14.4	176	-76.1	-79.9	0	0	0	114.1	P166 R168 A172 F240 T263 T265 A290	P166-W170 HydrophobicContact CB-CE3 3.71Å; P166-W170 HydrophobicContact CB-CZ3 3.62Å; P166-W170 VanDerWaalsContact O-CE3 3.27Å; P166-W170 PolarHBondContact O-N 3.24Å; R168-W170 VanDerWaalsContact C-N 3.3Å; R168-W170 PolarHBondContact O-N 2.89Å; W170-A172 VanDerWaalsContact C-N 3.34Å; W170-A172 PolarHBondContact O-N 2.91Å; W170-F240 HydrophobicContact CB-CB 4.4Å; W170-F240 HydrophobicContact CB-CD1 4.29Å; W170-F240 HydrophobicContact CB-CD2 3.51Å; W170-F240 HydrophobicContact CB-CE2 3.79Å; W170-F240 HydrophobicContact CB-CG 3.81Å; W170-F240 HydrophobicContact CB-CZ 4.3Å; W170-F240 HydrophobicContact CD2-CD2 4.11Å; W170-F240 AromaticContact CD2-CE2 3.65Å; W170-F240 HydrophobicContact CD2-CE2 3.65Å; W170-F240 HydrophobicContact CD2-CZ 4.32Å; W170-F240 AromaticContact CE3-CE2 3.71Å; W170-F240 HydrophobicContact CE3-CE2 3.71Å; W170-F240 AromaticContact CE3-CZ 3.97Å; W170-F240 HydrophobicContact CE3-CZ 3.97Å; W170-F240 AromaticContact CG-CD2 3.63Å; W170-F240 HydrophobicContact CG-CD2 3.63Å; W170-F240 AromaticContact CG-CE2 3.67Å; W170-F240 HydrophobicContact CG-CE2 3.67Å; W170-F240 HydrophobicContact CG-CG 4.42Å; W170-F240 HydrophobicContact CG-CZ 4.47Å; W170-T263 HydrophobicContact CZ2-CG2 3.99Å; W170-T263 PolarHBondContact NE1-OG1 3.39Å; W170-T265 HydrophobicContact CE3-CG2 4.36Å; W170-T265 VanDerWaalsContact CE3-OG1 3.28Å; W170-T265 HydrophobicContact CH2-CG2 3.86Å; W170-T265 WeakPolarHBondContact CH2-OG1 3.23Å; W170-T265 VanDerWaalsContact CZ2-OG1 3.28Å; W170-T265 WeakPolarHBondContact CZ2-OG1 3.35Å; W170-T265 HydrophobicContact CZ3-CG2 3.62Å; W170-T265 WeakPolarHBondContact CZ3-OG1 3.45Å; W170-A290 HydrophobicContact CH2-CB 3.68Å; W170-A290 HydrophobicContact CZ2-CB 3.48Å; W170-A290 VanDerWaalsContact CZ2-CB 3.48Å
171	Q	98.7	Very high	98.8	Very high	138 Å²	138	36.4 Å²	36.4	65%	0.645	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.3	44.1	169.3	-52.1	170.1	-15.8	0	0	113	L167 R168 H169 K176	L167-Q171 PolarHBondContact O-N 3.1Å; R168-Q171 WeakPolarHBondContact O-CA 3.44Å; R168-Q171 PolarHBondContact O-N 3.43Å; H169-Q171 VanDerWaalsContact C-N 3.29Å; H169-Q171 PolarHBondContact O-N 3.27Å; Q171-K176 WeakPolarHBondContact O-CG 3.4Å; Q171-K176 PolarHBondContact O-NZ 3.19Å
172	A	98.9	Very high	98.7	Very high	10 Å²	10	37 Å²	37	8%	0.083	21%	0.205	C	C	.	.			trans	-57.6	138.1	167	0	0	0	0	0	109.7	L167 W170 V178 M197	L167-A172 HydrophobicContact CB-CB 4.06Å; L167-A172 HydrophobicContact CD2-CB 3.64Å; L167-A172 HydrophobicContact CG-CB 4.47Å; L167-A172 VanDerWaalsContact O-CB 3.3Å; L167-A172 WeakPolarHBondContact O-CB 3.46Å; L167-A172 PolarHBondContact O-N 3.09Å; W170-A172 VanDerWaalsContact C-N 3.34Å; W170-A172 PolarHBondContact O-N 2.91Å; A172-V178 HydrophobicContact CB-CG2 3.85Å; A172-M197 HydrophobicContact CB-SD 4.22Å
173	G	98.6	Very high	98.5	Very high	7 Å²	7	36.9 Å²	36.9	7%	0.072	20%	0.204	C	C	.	.			trans	161.4	-164.3	-178.8	0	0	0	0	0	112.8	G175 K176 M197 G198 A199	G173-G175 PolarHBondContact O-N 3.33Å; G173-K176 WeakPolarHBondContact O-CB 3.39Å; G173-K176 PolarHBondContact O-N 3.15Å; G173-M197 VanDerWaalsContact CA-O 3.29Å; G173-M197 WeakPolarHBondContact CA-O 3.19Å; G173-G198 CarbonylContact C-O 3.15Å; G173-A199 WeakPolarHBondContact O-CA 3.36Å
174	P	98.8	Very high	98.3	Very high	112 Å²	112	38.1 Å²	38.1	73%	0.727	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.4	130.8	-174.6	-26.8	37.4	0	0	0	112.7	K176 M197 G198	P174-K176 VanDerWaalsContact C-N 3.29Å; P174-K176 PolarHBondContact O-N 3Å; P174-M197 WeakPolarHBondContact CD-O 3.44Å; P174-G198 VanDerWaalsContact CA-O 3.31Å; P174-G198 WeakPolarHBondContact CA-O 3.13Å
175	G	98.4	Very high	98.2	Very high	80 Å²	80	39 Å²	39	83%	0.825	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.9	0.6	-179.1	0	0	0	0	0	115.4	G173	G173-G175 PolarHBondContact O-N 3.33Å
176	K	98.9	Very high	98.1	Very high	58 Å²	58	40 Å²	40	25%	0.252	23%	0.23	S	C	.	.			trans	-97.3	135.9	173.3	-54.6	-61.3	-172.8	67.8	0	110.9	Q171 G173 P174 V178 H200 D239	Q171-K176 WeakPolarHBondContact O-CG 3.4Å; Q171-K176 PolarHBondContact O-NZ 3.19Å; G173-K176 WeakPolarHBondContact O-CB 3.39Å; G173-K176 PolarHBondContact O-N 3.15Å; P174-K176 VanDerWaalsContact C-N 3.29Å; P174-K176 PolarHBondContact O-N 3Å; K176-V178 HydrophobicContact CB-CG2 4.4Å; K176-H200 PolarHBondContact O-N 3.2Å; K176-D239 WeakPolarHBondContact CA-OD2 3.05Å; K176-D239 HydrophobicContact CB-CB 4.37Å; K176-D239 HydrophobicContact CD-CB 4.2Å
177	K	98.9	Very high	98.1	Very high	45 Å²	45	40 Å²	40	20%	0.196	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	114.2	169.5	-169.4	166.3	-172.1	158.8	0	109.5	H200 V202 E221 H234 F238 D239 F240	K177-H200 WeakPolarHBondContact CA-O 3.11Å; K177-V202 HydrophobicContact CG-CG2 4.31Å; K177-E221 WeakPolarHBondContact CE-OE2 3.22Å; K177-E221 IonicContact NZ-OE2 3.94Å; K177-E221 PolarHBondContact NZ-OE2 2.74Å; K177-H234 PolarHBondContact NZ-ND1 3.34Å; K177-F238 HydrophobicContact CD-CE1 4.44Å; K177-F238 HydrophobicContact CG-CD1 3.87Å; K177-F238 HydrophobicContact CG-CE1 3.92Å; K177-D239 PolarHBondContact N-OD2 2.84Å; K177-D239 PolarHBondContact O-N 3.31Å; K177-F240 PolarHBondContact O-N 3.44Å
178	V	99	Very high	98.1	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	128.4	-174.6	176.4	0	0	0	0	110.3	L167 A172 K176 A194 A199 H200 V201 V202 F240	L167-V178 HydrophobicContact CD2-CG1 3.86Å; A172-V178 HydrophobicContact CB-CG2 3.85Å; K176-V178 HydrophobicContact CB-CG2 4.4Å; V178-A194 HydrophobicContact CG1-CB 4.2Å; V178-A199 HydrophobicContact CB-CB 4.19Å; V178-A199 HydrophobicContact CG2-CB 3.68Å; V178-H200 PolarHBondContact N-O 3.01Å; V178-V201 WeakPolarHBondContact O-CA 3.24Å; V178-V202 PolarHBondContact O-N 2.91Å; V178-F240 CarbonylContact C-O 3.6Å; V178-F240 WeakPolarHBondContact CA-O 3.4Å; V178-F240 HydrophobicContact CG1-CD1 4.03Å; V178-F240 HydrophobicContact CG2-CB 4.49Å
179	G	98.9	Very high	98.1	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	137.3	172.5	0	0	0	0	0	111.2	V202 F238 F240 I241 L242	G179-V202 CarbonylContact C-O 3.18Å; G179-V202 WeakPolarHBondContact CA-O 3.36Å; G179-F238 VanDerWaalsContact N-CD1 3.31Å; G179-F240 PolarHBondContact N-O 3.08Å; G179-I241 CarbonylContact O-C 3.56Å; G179-I241 WeakPolarHBondContact O-CA 3.29Å; G179-L242 PolarHBondContact O-N 2.81Å
180	V	98.9	Very high	98.1	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	115.5	170.6	-176.6	0	0	0	0	109.1	I191 V201 V202 F204 L242 T244	V180-I191 HydrophobicContact CB-CG1 3.98Å; V180-I191 HydrophobicContact CG1-CG1 4.04Å; V180-I191 HydrophobicContact CG2-CG1 4.21Å; V180-V201 HydrophobicContact CG2-CG1 4.28Å; V180-V202 PolarHBondContact N-O 3.36Å; V180-F204 PolarHBondContact O-N 2.87Å; V180-L242 WeakPolarHBondContact CA-O 3.35Å; V180-T244 HydrophobicContact CG1-CG2 4.43Å
181	V	98.4	Very high	98.1	Very high	5 Å²	5	26.3 Å²	26.3	3%	0.03	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	119.5	-176.8	-166.7	0	0	0	0	110.8	F204 I241 L242 N243 T244 V245 F254	V181-F204 HydrophobicContact CB-CB 4.42Å; V181-F204 HydrophobicContact CG1-CB 4.17Å; V181-F204 HydrophobicContact CG2-CB 4.35Å; V181-F204 HydrophobicContact CG2-CD2 4.1Å; V181-F204 HydrophobicContact CG2-CG 4.43Å; V181-I241 HydrophobicContact CG2-CG2 3.66Å; V181-L242 PolarHBondContact N-O 2.95Å; V181-N243 HydrophobicContact CB-CB 4.22Å; V181-N243 HydrophobicContact CG2-CB 4.25Å; V181-T244 PolarHBondContact O-N 3Å; V181-T244 PolarHBondContact O-OG1 3.25Å; V181-T244 VanDerWaalsContact O-OG1 3.1Å; V181-V245 HydrophobicContact CB-CG2 4.45Å; V181-V245 HydrophobicContact CG1-CG2 3.8Å; V181-F254 HydrophobicContact CB-CE1 4.29Å; V181-F254 HydrophobicContact CG1-CD1 4.42Å; V181-F254 HydrophobicContact CG1-CE1 3.65Å; V181-F254 HydrophobicContact CG1-CE2 4.1Å; V181-F254 HydrophobicContact CG1-CZ 3.45Å; V181-F254 VanDerWaalsContact CG1-CZ 3.45Å; V181-F254 HydrophobicContact CG2-CD1 3.64Å; V181-F254 HydrophobicContact CG2-CE1 3.58Å; V181-F254 HydrophobicContact CG2-CG 4.31Å; V181-F254 HydrophobicContact CG2-CZ 4.2Å
182	G	96.2	Very high	98.1	Very high	14 Å²	14	21.7 Å²	21.7	14%	0.144	15%	0.151	C	C	.	.			trans	97	142.1	-176.2	0	0	0	0	0	112.1	G187 F204	G182-G187 VanDerWaalsContact O-CA 3.32Å; G182-G187 WeakPolarHBondContact O-CA 3.41Å; G182-F204 PolarHBondContact N-O 2.93Å
183	I	95.7	Very high	98.1	Very high	7 Å²	7	21.2 Å²	21.2	4%	0.036	15%	0.147	C	C	.	.			trans	-127.1	78.7	179.5	-50.2	174.5	0	0	0	107.9	I191 A203 T205 K210 A214 L217 Y338	I183-I191 HydrophobicContact CG1-CD1 4.47Å; I183-A203 HydrophobicContact CD1-CB 4.49Å; I183-T205 HydrophobicContact CD1-CG2 4.46Å; I183-K210 HydrophobicContact CB-CD 4.02Å; I183-K210 HydrophobicContact CD1-CB 3.83Å; I183-K210 PolarHBondContact O-NZ 3.2Å; I183-A214 HydrophobicContact CD1-CB 3.54Å; I183-L217 HydrophobicContact CG2-CD1 4.04Å; I183-Y338 HydrophobicContact CG2-CD1 4.48Å; I183-Y338 HydrophobicContact CG2-CE1 3.77Å
184	G	95	Very high	98.1	Very high	27 Å²	27	20.9 Å²	20.9	28%	0.278	14%	0.144	S	C	.	.	S	Bend	trans	-140.4	-152.4	175.9	0	0	0	0	0	110	L186 G187 H188	G184-L186 PolarHBondContact O-N 2.83Å; G184-G187 PolarHBondContact O-N 2.83Å; G184-H188 WeakPolarHBondContact O-CB 3.28Å; G184-H188 PolarHBondContact O-N 3.42Å; G184-H188 PolarHBondContact O-ND1 2.99Å
185	G	95.5	Very high	98.1	Very high	17 Å²	17	19.9 Å²	19.9	18%	0.175	13%	0.129	C	C	.	.	H	α-helix	trans	-55.6	-44.9	-175.8	0	0	0	0	0	114.8	H188 Y338	G185-H188 PolarHBondContact O-CE1 3.05Å; G185-H188 PolarHBondContact O-ND1 2.91Å; G185-Y338 WeakPolarHBondContact CA-O 3.39Å
186	L	97.9	Very high	98.1	Very high	33 Å²	33	17.5 Å²	17.5	17%	0.173	10%	0.102	C	C	.	.	H	α-helix	trans	-77.9	-49.5	174.6	-72.3	173.5	0	0	0	111.8	A159 T162 T163 G184 H188 M189 G190 T244 V267	A159-L186 HydrophobicContact CB-CD2 4.17Å; T162-L186 HydrophobicContact CG2-CD1 4.41Å; T162-L186 HydrophobicContact CG2-CD2 3.82Å; T163-L186 HydrophobicContact CG2-CB 4.08Å; T163-L186 HydrophobicContact CG2-CD2 3.98Å; T163-L186 WeakPolarHBondContact CG2-O 3.1Å; G184-L186 PolarHBondContact O-N 2.83Å; L186-H188 VanDerWaalsContact C-N 3.3Å; L186-H188 PolarHBondContact O-N 2.91Å; L186-M189 WeakPolarHBondContact O-CB 3.35Å; L186-M189 PolarHBondContact O-N 3.07Å; L186-G190 PolarHBondContact O-N 3.11Å; L186-T244 HydrophobicContact CB-CG2 3.91Å; L186-V267 HydrophobicContact CD1-CG2 4.18Å
187	G	98.1	Very high	98.1	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-55.7	-39.9	-176.6	0	0	0	0	0	114.5	G182 G184 M189 G190 I191 T244	G182-G187 VanDerWaalsContact O-CA 3.32Å; G182-G187 WeakPolarHBondContact O-CA 3.41Å; G184-G187 PolarHBondContact O-N 2.83Å; G187-M189 VanDerWaalsContact C-N 3.33Å; G187-M189 PolarHBondContact O-N 3.14Å; G187-G190 PolarHBondContact O-N 2.94Å; G187-I191 WeakPolarHBondContact O-CG1 3.32Å; G187-I191 PolarHBondContact O-N 2.91Å; G187-T244 PolarHBondContact N-OG1 3.26Å
188	H	98.5	Very high	98.1	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-66	-35.9	178.4	93.9	-69.2	0	0	0	112.5	G184 G185 L186 K192 L217 A314 D315 Y338	G184-H188 WeakPolarHBondContact O-CB 3.28Å; G184-H188 PolarHBondContact O-N 3.42Å; G184-H188 PolarHBondContact O-ND1 2.99Å; G185-H188 PolarHBondContact O-CE1 3.05Å; G185-H188 PolarHBondContact O-ND1 2.91Å; L186-H188 VanDerWaalsContact C-N 3.3Å; L186-H188 PolarHBondContact O-N 2.91Å; H188-K192 WeakPolarHBondContact O-CG 3.45Å; H188-K192 PolarHBondContact O-N 3.31Å; H188-K192 VanDerWaalsContact O-N 3.11Å; H188-L217 HydrophobicContact CB-CD1 3.7Å; H188-L217 HydrophobicContact CB-CD2 3.88Å; H188-L217 HydrophobicContact CB-CG 4.46Å; H188-A314 WeakPolarHBondContact NE2-CA 3.45Å; H188-D315 IonicContact CD2-OD2 2.74Å; H188-D315 PolarHBondContact NE2-N 2.99Å; H188-D315 VanDerWaalsContact NE2-N 3.2Å; H188-Y338 HydrophobicContact CB-CD1 4.27Å; H188-Y338 HydrophobicContact CB-CD2 3.59Å; H188-Y338 HydrophobicContact CB-CE2 4.12Å; H188-Y338 HydrophobicContact CB-CG 3.68Å; H188-Y338 AromaticContact CD2-CD2 3.62Å; H188-Y338 AromaticContact CG-CD2 3.66Å; H188-Y338 AromaticContact CG-CG 3.77Å
189	M	98.8	Very high	98.1	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-68.9	-44.3	172.4	-71.7	-49	-50.7	0	0	111.1	L156 A159 T163 L186 G187 I191 K192 L193 I312 A314	L156-M189 HydrophobicContact CD2-CE 3.18Å; L156-M189 HydrophobicContact CD2-SD 3.77Å; A159-M189 HydrophobicContact CB-CG 3.97Å; T163-M189 WeakPolarHBondContact OG1-CB 3.1Å; L186-M189 WeakPolarHBondContact O-CB 3.35Å; L186-M189 PolarHBondContact O-N 3.07Å; G187-M189 VanDerWaalsContact C-N 3.33Å; G187-M189 PolarHBondContact O-N 3.14Å; M189-I191 VanDerWaalsContact C-N 3.27Å; M189-I191 PolarHBondContact O-N 3.22Å; M189-K192 PolarHBondContact O-N 3.34Å; M189-K192 HydrophobicContact SD-CD 4.48Å; M189-L193 HydrophobicContact CB-CD1 4.37Å; M189-L193 HydrophobicContact CE-CD1 4.07Å; M189-L193 HydrophobicContact CE-CD2 4.32Å; M189-L193 HydrophobicContact CE-CG 4.03Å; M189-L193 VanDerWaalsContact O-CB 3.29Å; M189-L193 WeakPolarHBondContact O-CB 3.22Å; M189-L193 WeakPolarHBondContact O-CG 3.49Å; M189-L193 PolarHBondContact O-N 3.27Å; M189-I312 HydrophobicContact CE-CG2 4.15Å; M189-A314 HydrophobicContact SD-CB 3.96Å
190	G	98.9	Very high	98.1	Very high	0 Å²	0	19 Å²	19	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-55.8	-41	176	0	0	0	0	0	112.7	L186 G187 A194	L186-G190 PolarHBondContact O-N 3.11Å; G187-G190 PolarHBondContact O-N 2.94Å; G190-A194 WeakPolarHBondContact O-CB 3.44Å; G190-A194 PolarHBondContact O-N 2.91Å
191	I	98.9	Very high	98.1	Very high	0 Å²	0	19 Å²	19	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-66.5	-54.3	176	-65.6	163.5	0	0	0	110.8	V180 I183 G187 M189 L193 A194 H195 V201 A203 L217 A219	V180-I191 HydrophobicContact CB-CG1 3.98Å; V180-I191 HydrophobicContact CG1-CG1 4.04Å; V180-I191 HydrophobicContact CG2-CG1 4.21Å; I183-I191 HydrophobicContact CG1-CD1 4.47Å; G187-I191 WeakPolarHBondContact O-CG1 3.32Å; G187-I191 PolarHBondContact O-N 2.91Å; M189-I191 VanDerWaalsContact C-N 3.27Å; M189-I191 PolarHBondContact O-N 3.22Å; I191-L193 VanDerWaalsContact C-N 3.31Å; I191-L193 PolarHBondContact O-N 3.45Å; I191-A194 PolarHBondContact O-N 2.77Å; I191-H195 VanDerWaalsContact O-CB 3.26Å; I191-H195 WeakPolarHBondContact O-CB 3.4Å; I191-H195 PolarHBondContact O-N 2.71Å; I191-V201 HydrophobicContact CG1-CG1 4.43Å; I191-V201 HydrophobicContact CG2-CG1 4.25Å; I191-A203 HydrophobicContact CD1-CB 3.73Å; I191-A203 HydrophobicContact CG1-CB 4.28Å; I191-L217 HydrophobicContact CB-CB 4.24Å; I191-L217 HydrophobicContact CD1-CD1 4.07Å; I191-L217 HydrophobicContact CG2-CB 3.69Å; I191-A219 HydrophobicContact CG2-CB 4.11Å
192	K	98.9	Very high	98.1	Very high	41 Å²	41	18.8 Å²	18.8	18%	0.178	12%	0.12	C	C	.	.	H	α-helix	trans	-56.4	-45.3	-179	-74	174.8	-174.5	-93.7	0	111.6	H188 M189 A196 L217 I312 D315	H188-K192 WeakPolarHBondContact O-CG 3.45Å; H188-K192 PolarHBondContact O-N 3.31Å; H188-K192 VanDerWaalsContact O-N 3.11Å; M189-K192 PolarHBondContact O-N 3.34Å; M189-K192 HydrophobicContact SD-CD 4.48Å; K192-A196 WeakPolarHBondContact O-CB 3.39Å; K192-A196 PolarHBondContact O-N 3.49Å; K192-L217 HydrophobicContact CD-CD2 4.3Å; K192-L217 VanDerWaalsContact CE-CD2 3.47Å; K192-L217 HydrophobicContact CG-CD2 4.14Å; K192-I312 HydrophobicContact CB-CG2 4.35Å; K192-D315 WeakPolarHBondContact CE-OD1 3.44Å; K192-D315 WeakPolarHBondContact CE-OD2 3.42Å; K192-D315 IonicContact NZ-OD1 2.82Å; K192-D315 PolarHBondContact NZ-OD1 2.77Å; K192-D315 IonicContact NZ-OD2 3.72Å; K192-D315 PolarHBondContact NZ-OD2 2.97Å
193	L	98.9	Very high	98.3	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-71.4	-46.2	-177.3	-66.4	171	0	0	0	112.1	T163 Y164 L167 M189 I191 H195 A196 M197 F306 I312	T163-L193 WeakPolarHBondContact OG1-CD1 3.41Å; Y164-L193 HydrophobicContact CD2-CD1 4.47Å; Y164-L193 HydrophobicContact CD2-CD2 4.26Å; L167-L193 HydrophobicContact CD1-CB 3.84Å; M189-L193 HydrophobicContact CB-CD1 4.37Å; M189-L193 HydrophobicContact CE-CD1 4.07Å; M189-L193 HydrophobicContact CE-CD2 4.32Å; M189-L193 HydrophobicContact CE-CG 4.03Å; M189-L193 VanDerWaalsContact O-CB 3.29Å; M189-L193 WeakPolarHBondContact O-CB 3.22Å; M189-L193 WeakPolarHBondContact O-CG 3.49Å; M189-L193 PolarHBondContact O-N 3.27Å; I191-L193 VanDerWaalsContact C-N 3.31Å; I191-L193 PolarHBondContact O-N 3.45Å; L193-H195 VanDerWaalsContact C-N 3.27Å; L193-H195 PolarHBondContact O-N 2.72Å; L193-A196 PolarHBondContact O-N 3.25Å; L193-M197 VanDerWaalsContact O-CG 3.29Å; L193-M197 WeakPolarHBondContact O-CG 3.33Å; L193-M197 PolarHBondContact O-N 2.86Å; L193-F306 HydrophobicContact CD2-CD1 4.45Å; L193-F306 HydrophobicContact CD2-CE1 4.32Å; L193-I312 HydrophobicContact CD2-CD1 4.23Å; L193-I312 HydrophobicContact CD2-CG2 4.31Å
194	A	98.9	Very high	98.4	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-62.2	-38.2	177.6	0	0	0	0	0	111.6	L167 V178 G190 I191 M197 G198 A199 V201	L167-A194 HydrophobicContact CD1-CB 4.03Å; L167-A194 HydrophobicContact CD2-CB 3.8Å; V178-A194 HydrophobicContact CG1-CB 4.2Å; G190-A194 WeakPolarHBondContact O-CB 3.44Å; G190-A194 PolarHBondContact O-N 2.91Å; I191-A194 PolarHBondContact O-N 2.77Å; A194-M197 PolarHBondContact O-N 3.2Å; A194-G198 PolarHBondContact O-N 2.85Å; A194-A199 WeakPolarHBondContact O-CB 3.27Å; A194-A199 PolarHBondContact O-N 3.29Å; A194-A199 VanDerWaalsContact O-N 3.1Å; A194-V201 HydrophobicContact CB-CG2 3.63Å
195	H	98.8	Very high	98.5	Very high	91 Å²	91	16.9 Å²	16.9	42%	0.421	10%	0.101	S	C	.	.	H	α-helix	trans	-63.6	-48.7	174.5	176.9	74.4	0	0	0	111.2	I191 L193 M197 G198 V201 G218	I191-H195 VanDerWaalsContact O-CB 3.26Å; I191-H195 WeakPolarHBondContact O-CB 3.4Å; I191-H195 PolarHBondContact O-N 2.71Å; L193-H195 VanDerWaalsContact C-N 3.27Å; L193-H195 PolarHBondContact O-N 2.72Å; H195-M197 VanDerWaalsContact C-N 3.27Å; H195-M197 PolarHBondContact O-N 2.97Å; H195-G198 WeakPolarHBondContact O-CA 3.34Å; H195-G198 PolarHBondContact O-N 3.36Å; H195-V201 HydrophobicContact CB-CG2 4.17Å; H195-G218 PolarHBondContact ND1-O 3.46Å; H195-G218 VanDerWaalsContact ND1-O 3.13Å
196	A	98.8	Very high	98.4	Very high	30 Å²	30	19.9 Å²	19.9	25%	0.248	12%	0.115	C	C	.	.	H	α-helix	trans	-64.3	-29.9	178.4	0	0	0	0	0	113.5	K192 L193 G198 F306 I312	K192-A196 WeakPolarHBondContact O-CB 3.39Å; K192-A196 PolarHBondContact O-N 3.49Å; L193-A196 PolarHBondContact O-N 3.25Å; A196-G198 PolarHBondContact O-N 3.39Å; A196-F306 HydrophobicContact CB-CE1 3.9Å; A196-F306 HydrophobicContact CB-CZ 3.77Å; A196-I312 HydrophobicContact CB-CD1 3.37Å; A196-I312 HydrophobicContact CB-CG1 4.46Å
197	M	98.8	Very high	98	Very high	16 Å²	16	20.7 Å²	20.7	8%	0.079	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-10.1	170.7	-69.9	177.4	-174.4	0	0	112.9	Y164 L167 R168 A172 G173 P174 L193 A194 H195 F306	Y164-M197 HydrophobicContact CD2-CE 3.31Å; Y164-M197 HydrophobicContact CE2-CE 3.33Å; Y164-M197 HydrophobicContact CG-CE 4.06Å; L167-M197 HydrophobicContact CB-CE 3.93Å; L167-M197 HydrophobicContact CB-SD 3.79Å; R168-M197 HydrophobicContact CG-CE 3.93Å; A172-M197 HydrophobicContact CB-SD 4.22Å; G173-M197 VanDerWaalsContact CA-O 3.29Å; G173-M197 WeakPolarHBondContact CA-O 3.19Å; P174-M197 WeakPolarHBondContact CD-O 3.44Å; L193-M197 VanDerWaalsContact O-CG 3.29Å; L193-M197 WeakPolarHBondContact O-CG 3.33Å; L193-M197 PolarHBondContact O-N 2.86Å; A194-M197 PolarHBondContact O-N 3.2Å; H195-M197 VanDerWaalsContact C-N 3.27Å; H195-M197 PolarHBondContact O-N 2.97Å; M197-F306 HydrophobicContact CG-CZ 4.23Å
198	G	98.7	Very high	97.8	Very high	39 Å²	39	24.9 Å²	24.9	40%	0.402	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.4	15.2	178.8	0	0	0	0	0	114.6	G173 P174 A194 H195 A196	G173-G198 CarbonylContact C-O 3.15Å; P174-G198 VanDerWaalsContact CA-O 3.31Å; P174-G198 WeakPolarHBondContact CA-O 3.13Å; A194-G198 PolarHBondContact O-N 2.85Å; H195-G198 WeakPolarHBondContact O-CA 3.34Å; H195-G198 PolarHBondContact O-N 3.36Å; A196-G198 PolarHBondContact O-N 3.39Å
199	A	98.9	Very high	97.5	Very high	6 Å²	6	29.2 Å²	29.2	5%	0.05	18%	0.18	C	C	.	.			trans	-72.3	156.3	172.8	0	0	0	0	0	111.4	G173 V178 A194 V201	G173-A199 WeakPolarHBondContact O-CA 3.36Å; V178-A199 HydrophobicContact CB-CB 4.19Å; V178-A199 HydrophobicContact CG2-CB 3.68Å; A194-A199 WeakPolarHBondContact O-CB 3.27Å; A194-A199 PolarHBondContact O-N 3.29Å; A194-A199 VanDerWaalsContact O-N 3.1Å; A199-V201 HydrophobicContact CB-CG2 4.45Å; A199-V201 PolarHBondContact O-N 2.93Å
200	H	98.9	Very high	97.3	Very high	74 Å²	74	32.5 Å²	32.5	34%	0.343	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	107.5	165.1	179.9	-63	0	0	0	108.8	K176 K177 V178 D220 E221	K176-H200 PolarHBondContact O-N 3.2Å; K177-H200 WeakPolarHBondContact CA-O 3.11Å; V178-H200 PolarHBondContact N-O 3.01Å; H200-D220 WeakPolarHBondContact CA-OD2 3.26Å; H200-E221 IonicContact CE1-OE2 2.96Å; H200-E221 PolarHBondContact CE1-OE2 3.3Å; H200-E221 IonicContact ND1-OE2 3.88Å; H200-E221 IonicContact NE2-OE2 3.67Å
201	V	99	Very high	97.2	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	127.5	-169.7	-174.8	0	0	0	0	111.9	V178 V180 I191 A194 H195 A199 D220 E221	V178-V201 WeakPolarHBondContact O-CA 3.24Å; V180-V201 HydrophobicContact CG2-CG1 4.28Å; I191-V201 HydrophobicContact CG1-CG1 4.43Å; I191-V201 HydrophobicContact CG2-CG1 4.25Å; A194-V201 HydrophobicContact CB-CG2 3.63Å; H195-V201 HydrophobicContact CB-CG2 4.17Å; A199-V201 HydrophobicContact CB-CG2 4.45Å; A199-V201 PolarHBondContact O-N 2.93Å; V201-D220 PolarHBondContact N-OD2 3.19Å; V201-D220 WeakPolarHBondContact O-CB 3.24Å; V201-D220 PolarHBondContact O-N 3.31Å; V201-E221 PolarHBondContact O-N 2.86Å; V201-E221 VanDerWaalsContact O-N 3.09Å
202	V	98.9	Very high	97.1	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	117.1	169.8	-169.9	0	0	0	0	109.6	K177 V178 G179 V180 F204 E221 V223 F238	K177-V202 HydrophobicContact CG-CG2 4.31Å; V178-V202 PolarHBondContact O-N 2.91Å; G179-V202 CarbonylContact C-O 3.18Å; G179-V202 WeakPolarHBondContact CA-O 3.36Å; V180-V202 PolarHBondContact N-O 3.36Å; V202-F204 HydrophobicContact CB-CE2 4.39Å; V202-F204 HydrophobicContact CG1-CE2 4.23Å; V202-F204 HydrophobicContact CG1-CZ 4.28Å; V202-E221 WeakPolarHBondContact CA-O 3.28Å; V202-E221 HydrophobicContact CB-CB 4.33Å; V202-E221 HydrophobicContact CG1-CB 3.92Å; V202-E221 HydrophobicContact CG2-CB 4Å; V202-V223 HydrophobicContact CG1-CB 4.45Å; V202-V223 HydrophobicContact CG1-CG2 3.75Å; V202-F238 HydrophobicContact CB-CE1 3.61Å; V202-F238 HydrophobicContact CB-CZ 3.63Å; V202-F238 HydrophobicContact CG1-CE1 4.46Å; V202-F238 HydrophobicContact CG1-CZ 3.98Å; V202-F238 HydrophobicContact CG2-CE1 3.53Å; V202-F238 HydrophobicContact CG2-CZ 3.64Å
203	A	98.9	Very high	96.9	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	133.2	175.3	0	0	0	0	0	111	I183 I191 A214 A219 E221 V222 V223	I183-A203 HydrophobicContact CD1-CB 4.49Å; I191-A203 HydrophobicContact CD1-CB 3.73Å; I191-A203 HydrophobicContact CG1-CB 4.28Å; A203-A214 HydrophobicContact CB-CB 3.75Å; A203-A219 HydrophobicContact CB-CB 3.83Å; A203-E221 PolarHBondContact N-O 2.68Å; A203-V222 HydrophobicContact CB-CG2 4.47Å; A203-V222 CarbonylContact O-C 3.58Å; A203-V222 WeakPolarHBondContact O-CA 3.47Å; A203-V223 PolarHBondContact O-N 2.99Å
204	F	98.6	Very high	96.9	Very high	1 Å²	1	40.9 Å²	40.9	0%	0.004	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	128.6	173.3	-62.9	-95.5	0	0	0	110.8	V180 V181 G182 V202 V223 M231 F238 F254 L257	V180-F204 PolarHBondContact O-N 2.87Å; V181-F204 HydrophobicContact CB-CB 4.42Å; V181-F204 HydrophobicContact CG1-CB 4.17Å; V181-F204 HydrophobicContact CG2-CB 4.35Å; V181-F204 HydrophobicContact CG2-CD2 4.1Å; V181-F204 HydrophobicContact CG2-CG 4.43Å; G182-F204 PolarHBondContact N-O 2.93Å; V202-F204 HydrophobicContact CB-CE2 4.39Å; V202-F204 HydrophobicContact CG1-CE2 4.23Å; V202-F204 HydrophobicContact CG1-CZ 4.28Å; F204-V223 WeakPolarHBondContact CA-O 3.48Å; F204-V223 HydrophobicContact CD1-CB 3.64Å; F204-V223 HydrophobicContact CD1-CG1 3.64Å; F204-V223 HydrophobicContact CE1-CB 3.72Å; F204-V223 HydrophobicContact CE1-CG1 3.65Å; F204-V223 HydrophobicContact CE1-CG2 4.17Å; F204-V223 HydrophobicContact CG-CB 4.48Å; F204-M231 HydrophobicContact CD1-SD 3.73Å; F204-M231 HydrophobicContact CE1-CE 4.37Å; F204-M231 HydrophobicContact CE1-SD 3.57Å; F204-M231 VanDerWaalsContact CE1-SD 3.57Å; F204-F238 HydrophobicContact CE2-CE1 4.11Å; F204-F238 HydrophobicContact CE2-CE2 4.18Å; F204-F238 AromaticContact CE2-CZ 3.65Å; F204-F238 HydrophobicContact CE2-CZ 3.65Å; F204-F238 HydrophobicContact CZ-CE1 4.31Å; F204-F238 AromaticContact CZ-CE2 3.61Å; F204-F238 HydrophobicContact CZ-CE2 3.61Å; F204-F238 AromaticContact CZ-CZ 3.41Å; F204-F238 HydrophobicContact CZ-CZ 3.41Å; F204-F238 VanDerWaalsContact CZ-CZ 3.41Å; F204-F254 HydrophobicContact CB-CE1 4.02Å; F204-F254 HydrophobicContact CD1-CD1 4.45Å; F204-F254 AromaticContact CD1-CE1 3.81Å; F204-F254 HydrophobicContact CD1-CE1 3.81Å; F204-F254 HydrophobicContact CD2-CE1 4.39Å; F204-F254 HydrophobicContact CE1-CE1 4.35Å; F204-F254 HydrophobicContact CG-CD1 4.5Å; F204-F254 AromaticContact CG-CE1 3.82Å; F204-F254 HydrophobicContact CG-CE1 3.82Å; F204-L257 HydrophobicContact CE1-CD1 3.57Å; F204-L257 HydrophobicContact CZ-CD1 3.52Å
205	T	96.1	Very high	96.8	Very high	7 Å²	7	45 Å²	45	4%	0.043	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	158.1	176.3	-178.6	0	0	0	0	110.5	I183 S207 V222 V223 N224 S225	I183-T205 HydrophobicContact CD1-CG2 4.46Å; T205-S207 VanDerWaalsContact CG2-O 3.27Å; T205-S207 WeakPolarHBondContact CG2-O 3.18Å; T205-S207 PolarHBondContact OG1-N 3.29Å; T205-S207 VanDerWaalsContact OG1-N 3.07Å; T205-S207 PolarHBondContact OG1-O 2.97Å; T205-V222 HydrophobicContact CG2-CG1 4.09Å; T205-V223 PolarHBondContact N-O 3.28Å; T205-N224 CarbonylContact O-C 3.54Å; T205-N224 VanDerWaalsContact O-CA 3.26Å; T205-N224 WeakPolarHBondContact O-CA 3.4Å; T205-N224 PolarHBondContact O-OD1 3.21Å; T205-S225 PolarHBondContact O-N 2.93Å
206	T	93.5	Very high	96.7	Very high	79 Å²	79	45.1 Å²	45.1	49%	0.485	27%	0.27	S	S	.	.	S	Bend	trans	-99.2	0.4	169.1	53.5	0	0	0	0	112.6	R226	T206-R226 HydrophobicContact CG2-CG 4.47Å
207	S	90.9	Very high	96.7	Very high	50 Å²	50	44.1 Å²	44.1	35%	0.35	26%	0.261	S	S	.	.			trans	-136.7	125.1	-176.7	176.9	0	0	0	0	111.1	T205 A209 K210	T205-S207 VanDerWaalsContact CG2-O 3.27Å; T205-S207 WeakPolarHBondContact CG2-O 3.18Å; T205-S207 PolarHBondContact OG1-N 3.29Å; T205-S207 VanDerWaalsContact OG1-N 3.07Å; T205-S207 PolarHBondContact OG1-O 2.97Å; S207-A209 PolarHBondContact O-N 2.9Å; S207-A209 WeakPolarHBondContact OG-CB 3.24Å; S207-A209 PolarHBondContact OG-N 3.49Å; S207-K210 PolarHBondContact O-N 3.25Å; S207-K210 VanDerWaalsContact O-N 3.14Å
208	E	93.7	Very high	96.7	Very high	89 Å²	89	44.2 Å²	44.2	42%	0.416	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-57.1	-29.5	173.6	-72.8	-54.7	126.1	0	0	112.7	K210 R211 N224	E208-K210 PolarHBondContact O-N 2.85Å; E208-R211 VanDerWaalsContact O-CB 3.31Å; E208-R211 WeakPolarHBondContact O-CB 3.39Å; E208-R211 PolarHBondContact O-N 3.35Å; E208-R211 IonicContact OE1-CZ 2.66Å; E208-R211 IonicContact OE1-NE 2.81Å; E208-R211 IonicContact OE1-NH2 3.28Å; E208-R211 PolarHBondContact OE1-NH2 3.12Å; E208-R211 IonicContact OE2-CZ 2.74Å; E208-R211 IonicContact OE2-NE 3.7Å; E208-R211 PolarHBondContact OE2-NE 2.87Å; E208-R211 IonicContact OE2-NH2 2.78Å; E208-R211 PolarHBondContact OE2-NH2 2.84Å; E208-N224 WeakPolarHBondContact OE1-CB 3.32Å; E208-N224 PolarHBondContact OE1-ND2 2.7Å
209	A	92.7	Very high	96.7	Very high	91 Å²	91	42.6 Å²	42.6	75%	0.752	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-60	-18.3	179.1	0	0	0	0	0	113.2	S207	S207-A209 PolarHBondContact O-N 2.9Å; S207-A209 WeakPolarHBondContact OG-CB 3.24Å; S207-A209 PolarHBondContact OG-N 3.49Å
210	K	93.3	Very high	96.7	Very high	68 Å²	68	45.5 Å²	45.5	30%	0.296	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-98.1	1.6	177.7	-57.8	-167.3	173.9	-170	0	113.9	I183 S207 E208 A213 A214	I183-K210 HydrophobicContact CB-CD 4.02Å; I183-K210 HydrophobicContact CD1-CB 3.83Å; I183-K210 PolarHBondContact O-NZ 3.2Å; S207-K210 PolarHBondContact O-N 3.25Å; S207-K210 VanDerWaalsContact O-N 3.14Å; E208-K210 PolarHBondContact O-N 2.85Å; K210-A213 PolarHBondContact O-N 2.97Å; K210-A214 PolarHBondContact O-N 2.71Å
211	R	97	Very high	96.7	Very high	52 Å²	52	44.9 Å²	44.9	20%	0.196	26%	0.261	C	S	.	.	H	α-helix	trans	-62.4	-56.3	-175.3	-178	173.9	-64.8	-85.9	1.1	112.7	E208 A213 A214 K215 V222 E230	E208-R211 VanDerWaalsContact O-CB 3.31Å; E208-R211 WeakPolarHBondContact O-CB 3.39Å; E208-R211 PolarHBondContact O-N 3.35Å; E208-R211 IonicContact OE1-CZ 2.66Å; E208-R211 IonicContact OE1-NE 2.81Å; E208-R211 IonicContact OE1-NH2 3.28Å; E208-R211 PolarHBondContact OE1-NH2 3.12Å; E208-R211 IonicContact OE2-CZ 2.74Å; E208-R211 IonicContact OE2-NE 3.7Å; E208-R211 PolarHBondContact OE2-NE 2.87Å; E208-R211 IonicContact OE2-NH2 2.78Å; E208-R211 PolarHBondContact OE2-NH2 2.84Å; R211-A213 PolarHBondContact O-N 2.93Å; R211-A214 WeakPolarHBondContact O-CB 3.12Å; R211-A214 PolarHBondContact O-N 3.34Å; R211-A214 VanDerWaalsContact O-N 3.15Å; R211-K215 PolarHBondContact O-N 2.75Å; R211-K215 VanDerWaalsContact O-N 3.12Å; R211-V222 HydrophobicContact CB-CG1 4.33Å; R211-V222 HydrophobicContact CG-CB 4.02Å; R211-V222 HydrophobicContact CG-CG1 3.99Å; R211-V222 HydrophobicContact CG-CG2 4.35Å; R211-V222 PolarHBondContact NH1-O 3.45Å; R211-E230 IonicContact CZ-OE2 3.32Å; R211-E230 IonicContact NH1-OE2 3.5Å; R211-E230 IonicContact NH2-OE1 3.73Å; R211-E230 IonicContact NH2-OE2 3.76Å; R211-E230 PolarHBondContact NH2-OE2 2.9Å
212	E	96.9	Very high	96.7	Very high	140 Å²	140	45.5 Å²	45.5	65%	0.654	26%	0.264	S	S	*	.	H	α-helix	trans	-63.8	-33.8	177.3	-64.5	-51.4	116.8	0	0	112	A214 K215 A216	E212-A214 VanDerWaalsContact C-N 3.31Å; E212-A214 PolarHBondContact O-N 2.95Å; E212-K215 PolarHBondContact O-N 3.11Å; E212-A216 WeakPolarHBondContact O-CB 3.44Å; E212-A216 PolarHBondContact O-N 2.95Å
213	A	94.9	Very high	96.7	Very high	26 Å²	26	45.6 Å²	45.6	22%	0.215	27%	0.265	C	S	.	.	H	α-helix	trans	-64	-37.6	176.7	0	0	0	0	0	111.7	K210 R211 L217 Y338	K210-A213 PolarHBondContact O-N 2.97Å; R211-A213 PolarHBondContact O-N 2.93Å; A213-L217 VanDerWaalsContact O-CG 3.3Å; A213-L217 WeakPolarHBondContact O-CG 3.32Å; A213-L217 PolarHBondContact O-N 2.93Å; A213-Y338 VanDerWaalsContact CB-OH 3.25Å; A213-Y338 WeakPolarHBondContact CB-OH 3.42Å; A213-Y338 PolarHBondContact O-OH 3.37Å
214	A	97.9	Very high	96.6	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-67.5	-41.4	173.6	0	0	0	0	0	112.5	I183 A203 K210 R211 E212 L217 A219 V222	I183-A214 HydrophobicContact CD1-CB 3.54Å; A203-A214 HydrophobicContact CB-CB 3.75Å; K210-A214 PolarHBondContact O-N 2.71Å; R211-A214 WeakPolarHBondContact O-CB 3.12Å; R211-A214 PolarHBondContact O-N 3.34Å; R211-A214 VanDerWaalsContact O-N 3.15Å; E212-A214 VanDerWaalsContact C-N 3.31Å; E212-A214 PolarHBondContact O-N 2.95Å; A214-L217 WeakPolarHBondContact O-CB 3.42Å; A214-L217 PolarHBondContact O-N 2.89Å; A214-A219 HydrophobicContact CB-CB 4.36Å; A214-A219 VanDerWaalsContact O-CB 3.25Å; A214-A219 WeakPolarHBondContact O-CB 3.49Å; A214-A219 PolarHBondContact O-N 3.27Å; A214-V222 HydrophobicContact CB-CG1 4.32Å; A214-V222 HydrophobicContact CB-CG2 3.68Å
215	K	98.1	Very high	96.5	Very high	86 Å²	86	47.6 Å²	47.6	37%	0.374	28%	0.278	S	S	.	.	H	α-helix	trans	-61.4	-45.4	175.6	-69.2	-61.5	-162.5	161	0	111.3	R211 E212 L217 G218 A219 D220 V222	R211-K215 PolarHBondContact O-N 2.75Å; R211-K215 VanDerWaalsContact O-N 3.12Å; E212-K215 PolarHBondContact O-N 3.11Å; K215-L217 PolarHBondContact O-N 3.43Å; K215-G218 PolarHBondContact O-N 3.05Å; K215-A219 WeakPolarHBondContact CD-O 3.33Å; K215-D220 VanDerWaalsContact NZ-C 3.27Å; K215-D220 PolarHBondContact NZ-O 3.18Å; K215-V222 HydrophobicContact CD-CG2 3.81Å; K215-V222 HydrophobicContact CG-CG2 3.94Å
216	A	97.4	Very high	96.5	Very high	93 Å²	93	56.8 Å²	56.8	77%	0.769	31%	0.312	S	S	*	.	H	α-helix	trans	-61.7	-24.7	177.1	0	0	0	0	0	113.4	E212 G218	E212-A216 WeakPolarHBondContact O-CB 3.44Å; E212-A216 PolarHBondContact O-N 2.95Å; A216-G218 VanDerWaalsContact C-N 3.33Å
217	L	98.2	Very high	96.7	Very high	10 Å²	10	55.7 Å²	55.7	5%	0.052	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-12.8	174.9	-73.8	166.3	0	0	0	114	I183 H188 I191 K192 A213 A214 K215 D315 Y338	I183-L217 HydrophobicContact CG2-CD1 4.04Å; H188-L217 HydrophobicContact CB-CD1 3.7Å; H188-L217 HydrophobicContact CB-CD2 3.88Å; H188-L217 HydrophobicContact CB-CG 4.46Å; I191-L217 HydrophobicContact CB-CB 4.24Å; I191-L217 HydrophobicContact CD1-CD1 4.07Å; I191-L217 HydrophobicContact CG2-CB 3.69Å; K192-L217 HydrophobicContact CD-CD2 4.3Å; K192-L217 VanDerWaalsContact CE-CD2 3.47Å; K192-L217 HydrophobicContact CG-CD2 4.14Å; A213-L217 VanDerWaalsContact O-CG 3.3Å; A213-L217 WeakPolarHBondContact O-CG 3.32Å; A213-L217 PolarHBondContact O-N 2.93Å; A214-L217 WeakPolarHBondContact O-CB 3.42Å; A214-L217 PolarHBondContact O-N 2.89Å; K215-L217 PolarHBondContact O-N 3.43Å; L217-D315 WeakPolarHBondContact CD2-OD2 3.42Å; L217-Y338 HydrophobicContact CD1-CE1 4.43Å; L217-Y338 HydrophobicContact CD1-CE2 3.74Å; L217-Y338 WeakPolarHBondContact CD1-OH 3.42Å; L217-Y338 HydrophobicContact CD2-CD2 4.24Å; L217-Y338 HydrophobicContact CD2-CE2 3.71Å; L217-Y338 HydrophobicContact CG-CE2 3.98Å
218	G	98.4	Very high	96.9	Very high	17 Å²	17	56.9 Å²	56.9	18%	0.175	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	112.9	10.8	-178.3	0	0	0	0	0	115.3	H195 K215 A216 D220	H195-G218 PolarHBondContact ND1-O 3.46Å; H195-G218 VanDerWaalsContact ND1-O 3.13Å; K215-G218 PolarHBondContact O-N 3.05Å; A216-G218 VanDerWaalsContact C-N 3.33Å; G218-D220 PolarHBondContact O-N 3.18Å
219	A	98.8	Very high	97.1	Very high	6 Å²	6	59 Å²	59	5%	0.05	33%	0.33	C	S	.	.			trans	-71.5	126	176.4	0	0	0	0	0	112.1	I191 A203 A214 K215 V222	I191-A219 HydrophobicContact CG2-CB 4.11Å; A203-A219 HydrophobicContact CB-CB 3.83Å; A214-A219 HydrophobicContact CB-CB 4.36Å; A214-A219 VanDerWaalsContact O-CB 3.25Å; A214-A219 WeakPolarHBondContact O-CB 3.49Å; A214-A219 PolarHBondContact O-N 3.27Å; K215-A219 WeakPolarHBondContact CD-O 3.33Å; A219-V222 HydrophobicContact CB-CG2 4.3Å
220	D	98.8	Very high	97.4	Very high	67 Å²	67	56.9 Å²	56.9	36%	0.358	30%	0.304	S	S	.	.	S	Bend	trans	-70.6	-32.9	175	-60	-71.6	0	0	0	112	H200 V201 K215 G218	H200-D220 WeakPolarHBondContact CA-OD2 3.26Å; V201-D220 PolarHBondContact N-OD2 3.19Å; V201-D220 WeakPolarHBondContact O-CB 3.24Å; V201-D220 PolarHBondContact O-N 3.31Å; K215-D220 VanDerWaalsContact NZ-C 3.27Å; K215-D220 PolarHBondContact NZ-O 3.18Å; G218-D220 PolarHBondContact O-N 3.18Å
221	E	98.7	Very high	97.7	Very high	61 Å²	61	54.4 Å²	54.4	29%	0.285	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	157.2	175.6	-64.2	-180	94.6	0	0	110.6	K177 H200 V201 V202 A203 H234	K177-E221 WeakPolarHBondContact CE-OE2 3.22Å; K177-E221 IonicContact NZ-OE2 3.94Å; K177-E221 PolarHBondContact NZ-OE2 2.74Å; H200-E221 IonicContact CE1-OE2 2.96Å; H200-E221 PolarHBondContact CE1-OE2 3.3Å; H200-E221 IonicContact ND1-OE2 3.88Å; H200-E221 IonicContact NE2-OE2 3.67Å; V201-E221 PolarHBondContact O-N 2.86Å; V201-E221 VanDerWaalsContact O-N 3.09Å; V202-E221 WeakPolarHBondContact CA-O 3.28Å; V202-E221 HydrophobicContact CB-CB 4.33Å; V202-E221 HydrophobicContact CG1-CB 3.92Å; V202-E221 HydrophobicContact CG2-CB 4Å; A203-E221 PolarHBondContact N-O 2.68Å; E221-H234 IonicContact OE1-CE1 2.56Å; E221-H234 PolarHBondContact OE1-CE1 2.83Å; E221-H234 IonicContact OE1-NE2 3.47Å; E221-H234 IonicContact OE2-CE1 3.28Å; E221-H234 PolarHBondContact OE2-CE1 3.39Å
222	V	98.7	Very high	97.7	Very high	12 Å²	12	55 Å²	55	7%	0.073	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	135.5	174.2	-175.9	0	0	0	0	108.6	A203 T205 R211 A214 K215 A219	A203-V222 HydrophobicContact CB-CG2 4.47Å; A203-V222 CarbonylContact O-C 3.58Å; A203-V222 WeakPolarHBondContact O-CA 3.47Å; T205-V222 HydrophobicContact CG2-CG1 4.09Å; R211-V222 HydrophobicContact CB-CG1 4.33Å; R211-V222 HydrophobicContact CG-CB 4.02Å; R211-V222 HydrophobicContact CG-CG1 3.99Å; R211-V222 HydrophobicContact CG-CG2 4.35Å; R211-V222 PolarHBondContact NH1-O 3.45Å; A214-V222 HydrophobicContact CB-CG1 4.32Å; A214-V222 HydrophobicContact CB-CG2 3.68Å; K215-V222 HydrophobicContact CD-CG2 3.81Å; K215-V222 HydrophobicContact CG-CG2 3.94Å; A219-V222 HydrophobicContact CB-CG2 4.3Å
223	V	98.7	Very high	97.8	Very high	2 Å²	2	52.4 Å²	52.4	1%	0.012	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	129.8	179.3	171.4	0	0	0	0	109	V202 A203 F204 T205 S225 E230 M231 H234	V202-V223 HydrophobicContact CG1-CB 4.45Å; V202-V223 HydrophobicContact CG1-CG2 3.75Å; A203-V223 PolarHBondContact O-N 2.99Å; F204-V223 WeakPolarHBondContact CA-O 3.48Å; F204-V223 HydrophobicContact CD1-CB 3.64Å; F204-V223 HydrophobicContact CD1-CG1 3.64Å; F204-V223 HydrophobicContact CE1-CB 3.72Å; F204-V223 HydrophobicContact CE1-CG1 3.65Å; F204-V223 HydrophobicContact CE1-CG2 4.17Å; F204-V223 HydrophobicContact CG-CB 4.48Å; T205-V223 PolarHBondContact N-O 3.28Å; V223-S225 PolarHBondContact O-N 3.42Å; V223-E230 HydrophobicContact CG1-CB 3.95Å; V223-M231 HydrophobicContact CG1-CG 4.12Å; V223-M231 HydrophobicContact CG1-SD 3.57Å; V223-M231 VanDerWaalsContact CG1-SD 3.57Å; V223-H234 WeakPolarHBondContact CG2-NE2 3.34Å
224	N	97.6	Very high	98	Very high	17 Å²	17	51.9 Å²	51.9	9%	0.091	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	111.7	165.1	-171.2	-29.2	0	0	0	109.7	T205 E208 R226 N227 E230	T205-N224 CarbonylContact O-C 3.54Å; T205-N224 VanDerWaalsContact O-CA 3.26Å; T205-N224 WeakPolarHBondContact O-CA 3.4Å; T205-N224 PolarHBondContact O-OD1 3.21Å; E208-N224 WeakPolarHBondContact OE1-CB 3.32Å; E208-N224 PolarHBondContact OE1-ND2 2.7Å; N224-R226 PolarHBondContact O-N 3.33Å; N224-R226 WeakPolarHBondContact OD1-CB 3.38Å; N224-R226 PolarHBondContact OD1-N 3.49Å; N224-N227 HydrophobicContact CB-CB 4.34Å; N224-N227 WeakPolarHBondContact O-CB 3.31Å; N224-N227 PolarHBondContact O-N 2.84Å; N224-E230 PolarHBondContact N-OE2 2.77Å
225	S	96.8	Very high	98	Very high	27 Å²	27	56 Å²	56	19%	0.189	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-6.7	-175.4	72.9	0	0	0	0	113.8	T205 V223	T205-S225 PolarHBondContact O-N 2.93Å; V223-S225 PolarHBondContact O-N 3.42Å
226	R	95.4	Very high	98.1	Very high	199 Å²	199	57 Å²	57	75%	0.751	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-13.3	170.2	-63.8	-176.5	166.5	-179.3	-3.2	113	T206 N224	T206-R226 HydrophobicContact CG2-CG 4.47Å; N224-R226 PolarHBondContact O-N 3.33Å; N224-R226 WeakPolarHBondContact OD1-CB 3.38Å; N224-R226 PolarHBondContact OD1-N 3.49Å
227	N	97.1	Very high	98.1	Very high	57 Å²	57	54 Å²	54	31%	0.305	31%	0.305	S	S	.	.			trans	-93.8	108.9	176.9	-172.9	-14.8	0	0	0	109.6	N224 D229 E230 M231	N224-N227 HydrophobicContact CB-CB 4.34Å; N224-N227 WeakPolarHBondContact O-CB 3.31Å; N224-N227 PolarHBondContact O-N 2.84Å; N227-D229 VanDerWaalsContact C-N 3.26Å; N227-D229 PolarHBondContact O-N 3.27Å; N227-D229 PolarHBondContact OD1-N 3.28Å; N227-D229 VanDerWaalsContact OD1-N 3.1Å; N227-E230 HydrophobicContact CB-CB 4.1Å; N227-E230 HydrophobicContact CB-CG 4.1Å; N227-E230 WeakPolarHBondContact CB-OE1 3.32Å; N227-E230 PolarHBondContact ND2-OE1 2.83Å; N227-E230 PolarHBondContact O-N 3.33Å; N227-M231 WeakPolarHBondContact O-CG 3.48Å; N227-M231 PolarHBondContact O-N 3.29Å
228	A	96.4	Very high	98.2	Very high	75 Å²	75	53.6 Å²	53.6	62%	0.62	30%	0.303	S	S	*	.	H	α-helix	trans	-61.9	-33.8	-177.9	0	0	0	0	0	112.7	M231 A232	A228-M231 PolarHBondContact O-N 3.41Å; A228-A232 VanDerWaalsContact O-CB 3.25Å; A228-A232 WeakPolarHBondContact O-CB 3.26Å; A228-A232 PolarHBondContact O-N 3.18Å
229	D	98.3	Very high	98.2	Very high	132 Å²	132	54.7 Å²	54.7	71%	0.706	31%	0.305	S	S	*	.	H	α-helix	trans	-71.4	-42.5	-179.3	-64.6	-36.9	0	0	0	111.2	N227 M231 A232 A233	N227-D229 VanDerWaalsContact C-N 3.26Å; N227-D229 PolarHBondContact O-N 3.27Å; N227-D229 PolarHBondContact OD1-N 3.28Å; N227-D229 VanDerWaalsContact OD1-N 3.1Å; D229-M231 VanDerWaalsContact C-N 3.35Å; D229-A232 PolarHBondContact O-N 3.18Å; D229-A233 PolarHBondContact O-N 3.4Å; D229-A233 VanDerWaalsContact O-N 3.12Å
230	E	98.5	Very high	98.2	Very high	47 Å²	47	54.6 Å²	54.6	22%	0.22	30%	0.303	C	S	.	.	H	α-helix	trans	-62.5	-42.7	173.9	-71.4	176.7	-123.1	0	0	110.8	R211 V223 N224 N227 A233 H234	R211-E230 IonicContact CZ-OE2 3.32Å; R211-E230 IonicContact NH1-OE2 3.5Å; R211-E230 IonicContact NH2-OE1 3.73Å; R211-E230 IonicContact NH2-OE2 3.76Å; R211-E230 PolarHBondContact NH2-OE2 2.9Å; V223-E230 HydrophobicContact CG1-CB 3.95Å; N224-E230 PolarHBondContact N-OE2 2.77Å; N227-E230 HydrophobicContact CB-CB 4.1Å; N227-E230 HydrophobicContact CB-CG 4.1Å; N227-E230 WeakPolarHBondContact CB-OE1 3.32Å; N227-E230 PolarHBondContact ND2-OE1 2.83Å; N227-E230 PolarHBondContact O-N 3.33Å; E230-A233 PolarHBondContact O-N 3.48Å; E230-H234 PolarHBondContact O-CD2 3.45Å; E230-H234 VanDerWaalsContact O-CD2 3.29Å
231	M	98.5	Very high	98.2	Very high	17 Å²	17	51.4 Å²	51.4	8%	0.084	29%	0.286	C	S	.	.	H	α-helix	trans	-63.6	-43.8	176.1	-69.5	-70.5	-78.7	0	0	111.9	F204 V223 N227 A228 D229 A233 H234 D253 F254 L257	F204-M231 HydrophobicContact CD1-SD 3.73Å; F204-M231 HydrophobicContact CE1-CE 4.37Å; F204-M231 HydrophobicContact CE1-SD 3.57Å; F204-M231 VanDerWaalsContact CE1-SD 3.57Å; V223-M231 HydrophobicContact CG1-CG 4.12Å; V223-M231 HydrophobicContact CG1-SD 3.57Å; V223-M231 VanDerWaalsContact CG1-SD 3.57Å; N227-M231 WeakPolarHBondContact O-CG 3.48Å; N227-M231 PolarHBondContact O-N 3.29Å; A228-M231 PolarHBondContact O-N 3.41Å; D229-M231 VanDerWaalsContact C-N 3.35Å; M231-A233 VanDerWaalsContact C-N 3.28Å; M231-A233 PolarHBondContact O-N 2.71Å; M231-H234 PolarHBondContact O-N 3.33Å; M231-H234 VanDerWaalsContact O-N 3.09Å; M231-D253 HydrophobicContact CE-CB 3.91Å; M231-F254 HydrophobicContact CE-CD1 4.2Å; M231-F254 HydrophobicContact CE-CE1 4.06Å; M231-F254 HydrophobicContact CE-CZ 4.46Å; M231-L257 HydrophobicContact CE-CD1 3.7Å; M231-L257 HydrophobicContact CE-CG 4.39Å; M231-L257 WeakPolarHBondContact O-CD2 3.47Å; M231-L257 HydrophobicContact SD-CD1 4.13Å
232	A	98.1	Very high	98.2	Very high	65 Å²	65	48.5 Å²	48.5	54%	0.537	27%	0.272	S	S	.	.	H	α-helix	trans	-63	-32.3	-178.6	0	0	0	0	0	113	A228 D229 H234 L235	A228-A232 VanDerWaalsContact O-CB 3.25Å; A228-A232 WeakPolarHBondContact O-CB 3.26Å; A228-A232 PolarHBondContact O-N 3.18Å; D229-A232 PolarHBondContact O-N 3.18Å; A232-H234 PolarHBondContact O-N 3.34Å; A232-H234 VanDerWaalsContact O-N 3.13Å; A232-L235 WeakPolarHBondContact O-CB 3.47Å; A232-L235 PolarHBondContact O-N 3.32Å
233	A	98.6	Very high	98.2	Very high	84 Å²	84	48 Å²	48	69%	0.694	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-19.9	175.9	0	0	0	0	0	113.5	D229 E230 M231	D229-A233 PolarHBondContact O-N 3.4Å; D229-A233 VanDerWaalsContact O-N 3.12Å; E230-A233 PolarHBondContact O-N 3.48Å; M231-A233 VanDerWaalsContact C-N 3.28Å; M231-A233 PolarHBondContact O-N 2.71Å
234	H	98.8	Very high	98.1	Very high	15 Å²	15	48.5 Å²	48.5	7%	0.069	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.7	14	-179.5	-66	-105.1	0	0	0	114.3	K177 E221 V223 E230 M231 A232 K236 S237 F238	K177-H234 PolarHBondContact NZ-ND1 3.34Å; E221-H234 IonicContact OE1-CE1 2.56Å; E221-H234 PolarHBondContact OE1-CE1 2.83Å; E221-H234 IonicContact OE1-NE2 3.47Å; E221-H234 IonicContact OE2-CE1 3.28Å; E221-H234 PolarHBondContact OE2-CE1 3.39Å; V223-H234 WeakPolarHBondContact CG2-NE2 3.34Å; E230-H234 PolarHBondContact O-CD2 3.45Å; E230-H234 VanDerWaalsContact O-CD2 3.29Å; M231-H234 PolarHBondContact O-N 3.33Å; M231-H234 VanDerWaalsContact O-N 3.09Å; A232-H234 PolarHBondContact O-N 3.34Å; A232-H234 VanDerWaalsContact O-N 3.13Å; H234-K236 PolarHBondContact O-N 2.87Å; H234-S237 WeakPolarHBondContact O-CB 3.3Å; H234-S237 PolarHBondContact O-N 2.86Å; H234-S237 PolarHBondContact O-OG 3.22Å; H234-F238 HydrophobicContact CB-CE2 3.69Å; H234-F238 HydrophobicContact CB-CZ 4.39Å; H234-F238 AromaticContact ND1-CE2 4Å; H234-F238 AromaticContact ND1-CZ 3.86Å
235	L	98.6	Very high	97.9	Very high	87 Å²	87	49.6 Å²	49.6	46%	0.455	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	131.2	-177.9	-166.9	72.7	0	0	0	111.8	A232 S237 T256	A232-L235 WeakPolarHBondContact O-CB 3.47Å; A232-L235 PolarHBondContact O-N 3.32Å; L235-S237 PolarHBondContact O-N 3.21Å; L235-T256 WeakPolarHBondContact CD1-O 3.25Å
236	K	98.8	Very high	97.5	Very high	107 Å²	107	50.4 Å²	50.4	47%	0.465	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	35.5	177.3	-61	153.7	-171	172.1	0	114.4	H234 T256 L257 L258 K259 R287	H234-K236 PolarHBondContact O-N 2.87Å; K236-T256 PolarHBondContact N-O 3.31Å; K236-L257 CarbonylContact C-O 3.56Å; K236-L257 VanDerWaalsContact CA-O 3.29Å; K236-L257 WeakPolarHBondContact CA-O 3.31Å; K236-L257 PolarHBondContact N-O 3.16Å; K236-L258 WeakPolarHBondContact CA-O 3.4Å; K236-K259 WeakPolarHBondContact O-CG 3.35Å; K236-R287 VanDerWaalsContact CG-NH2 3.28Å
237	S	98.9	Very high	97.1	Very high	31 Å²	31	43.1 Å²	43.1	22%	0.217	27%	0.271	C	S	.	.			trans	-111.5	-17	-174.7	72.7	0	0	0	0	115.6	H234 L235 L257 K259	H234-S237 WeakPolarHBondContact O-CB 3.3Å; H234-S237 PolarHBondContact O-N 2.86Å; H234-S237 PolarHBondContact O-OG 3.22Å; L235-S237 PolarHBondContact O-N 3.21Å; S237-L257 PolarHBondContact N-O 3.5Å; S237-K259 WeakPolarHBondContact O-CD 3.4Å
238	F	98.9	Very high	96.6	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	135.5	-175.6	-71.1	-87.2	0	0	0	113.5	K177 G179 V202 F204 H234 I241 L257 L258 K259	K177-F238 HydrophobicContact CD-CE1 4.44Å; K177-F238 HydrophobicContact CG-CD1 3.87Å; K177-F238 HydrophobicContact CG-CE1 3.92Å; G179-F238 VanDerWaalsContact N-CD1 3.31Å; V202-F238 HydrophobicContact CB-CE1 3.61Å; V202-F238 HydrophobicContact CB-CZ 3.63Å; V202-F238 HydrophobicContact CG1-CE1 4.46Å; V202-F238 HydrophobicContact CG1-CZ 3.98Å; V202-F238 HydrophobicContact CG2-CE1 3.53Å; V202-F238 HydrophobicContact CG2-CZ 3.64Å; F204-F238 HydrophobicContact CE2-CE1 4.11Å; F204-F238 HydrophobicContact CE2-CE2 4.18Å; F204-F238 AromaticContact CE2-CZ 3.65Å; F204-F238 HydrophobicContact CE2-CZ 3.65Å; F204-F238 HydrophobicContact CZ-CE1 4.31Å; F204-F238 AromaticContact CZ-CE2 3.61Å; F204-F238 HydrophobicContact CZ-CE2 3.61Å; F204-F238 AromaticContact CZ-CZ 3.41Å; F204-F238 HydrophobicContact CZ-CZ 3.41Å; F204-F238 VanDerWaalsContact CZ-CZ 3.41Å; H234-F238 HydrophobicContact CB-CE2 3.69Å; H234-F238 HydrophobicContact CB-CZ 4.39Å; H234-F238 AromaticContact ND1-CE2 4Å; H234-F238 AromaticContact ND1-CZ 3.86Å; F238-I241 HydrophobicContact CB-CD1 4.16Å; F238-I241 HydrophobicContact CB-CG1 3.92Å; F238-I241 HydrophobicContact CD1-CG1 4.24Å; F238-I241 HydrophobicContact CD2-CD1 4.25Å; F238-I241 HydrophobicContact CG-CD1 4.14Å; F238-I241 HydrophobicContact CG-CG1 4Å; F238-L257 HydrophobicContact CD2-CB 3.62Å; F238-L257 HydrophobicContact CE2-CB 3.99Å; F238-L257 HydrophobicContact CE2-CD1 4.12Å; F238-L257 PolarHBondContact N-O 2.94Å; F238-L258 HydrophobicContact CB-CD2 4.21Å; F238-L258 CarbonylContact O-C 3.57Å; F238-K259 WeakPolarHBondContact O-CB 3.34Å; F238-K259 PolarHBondContact O-N 3.07Å
239	D	98.9	Very high	96.4	Very high	41 Å²	41	42.1 Å²	42.1	22%	0.219	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	-38.9	168.9	-63	-74.8	0	0	0	110.7	K176 K177 K259 G262 T263	K176-D239 WeakPolarHBondContact CA-OD2 3.05Å; K176-D239 HydrophobicContact CB-CB 4.37Å; K176-D239 HydrophobicContact CD-CB 4.2Å; K177-D239 PolarHBondContact N-OD2 2.84Å; K177-D239 PolarHBondContact O-N 3.31Å; D239-K259 WeakPolarHBondContact OD1-CE 3.42Å; D239-K259 IonicContact OD1-NZ 2.7Å; D239-K259 PolarHBondContact OD1-NZ 3.28Å; D239-K259 IonicContact OD2-NZ 3.55Å; D239-G262 WeakPolarHBondContact O-CA 3.32Å; D239-T263 PolarHBondContact O-N 3.39Å
240	F	99	Very high	96.1	Very high	3 Å²	3	38.7 Å²	38.7	1%	0.013	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	143.4	-177.6	176.9	-120.4	0	0	0	111.1	P166 L167 W170 K177 V178 G179 L242 T263 T265	P166-F240 HydrophobicContact CB-CZ 4.11Å; L167-F240 HydrophobicContact CD2-CD1 4.12Å; L167-F240 HydrophobicContact CD2-CE1 3.88Å; L167-F240 HydrophobicContact CG-CE1 4.46Å; W170-F240 HydrophobicContact CB-CB 4.4Å; W170-F240 HydrophobicContact CB-CD1 4.29Å; W170-F240 HydrophobicContact CB-CD2 3.51Å; W170-F240 HydrophobicContact CB-CE2 3.79Å; W170-F240 HydrophobicContact CB-CG 3.81Å; W170-F240 HydrophobicContact CB-CZ 4.3Å; W170-F240 HydrophobicContact CD2-CD2 4.11Å; W170-F240 AromaticContact CD2-CE2 3.65Å; W170-F240 HydrophobicContact CD2-CE2 3.65Å; W170-F240 HydrophobicContact CD2-CZ 4.32Å; W170-F240 AromaticContact CE3-CE2 3.71Å; W170-F240 HydrophobicContact CE3-CE2 3.71Å; W170-F240 AromaticContact CE3-CZ 3.97Å; W170-F240 HydrophobicContact CE3-CZ 3.97Å; W170-F240 AromaticContact CG-CD2 3.63Å; W170-F240 HydrophobicContact CG-CD2 3.63Å; W170-F240 AromaticContact CG-CE2 3.67Å; W170-F240 HydrophobicContact CG-CE2 3.67Å; W170-F240 HydrophobicContact CG-CG 4.42Å; W170-F240 HydrophobicContact CG-CZ 4.47Å; K177-F240 PolarHBondContact O-N 3.44Å; V178-F240 CarbonylContact C-O 3.6Å; V178-F240 WeakPolarHBondContact CA-O 3.4Å; V178-F240 HydrophobicContact CG1-CD1 4.03Å; V178-F240 HydrophobicContact CG2-CB 4.49Å; G179-F240 PolarHBondContact N-O 3.08Å; F240-L242 HydrophobicContact CE1-CB 3.85Å; F240-L242 HydrophobicContact CZ-CB 4.11Å; F240-L242 HydrophobicContact CZ-CD1 4.32Å; F240-T263 WeakPolarHBondContact CA-O 3.34Å; F240-T263 VanDerWaalsContact CD2-O 3.3Å; F240-T263 WeakPolarHBondContact CD2-O 3.14Å; F240-T265 WeakPolarHBondContact CE2-OG1 3.34Å
241	I	99	Very high	96	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	122.3	170.3	-65.6	176.2	0	0	0	109.2	G179 V181 F238 F254 L257 L258 T263 M264 T265	G179-I241 CarbonylContact O-C 3.56Å; G179-I241 WeakPolarHBondContact O-CA 3.29Å; V181-I241 HydrophobicContact CG2-CG2 3.66Å; F238-I241 HydrophobicContact CB-CD1 4.16Å; F238-I241 HydrophobicContact CB-CG1 3.92Å; F238-I241 HydrophobicContact CD1-CG1 4.24Å; F238-I241 HydrophobicContact CD2-CD1 4.25Å; F238-I241 HydrophobicContact CG-CD1 4.14Å; F238-I241 HydrophobicContact CG-CG1 4Å; I241-F254 HydrophobicContact CD1-CB 4.36Å; I241-L257 HydrophobicContact CD1-CB 4.22Å; I241-L258 HydrophobicContact CB-CD2 4.19Å; I241-L258 HydrophobicContact CD1-CD2 3.75Å; I241-L258 HydrophobicContact CD1-CG 4.13Å; I241-L258 HydrophobicContact CG1-CD2 3.71Å; I241-T263 PolarHBondContact N-O 2.84Å; I241-M264 HydrophobicContact CB-CB 4.2Å; I241-M264 HydrophobicContact CB-CG 4.19Å; I241-M264 HydrophobicContact CG2-CG 4.04Å; I241-M264 HydrophobicContact CG2-SD 4.25Å; I241-M264 CarbonylContact O-C 3.54Å; I241-M264 VanDerWaalsContact O-CA 3.27Å; I241-M264 WeakPolarHBondContact O-CA 3.42Å; I241-T265 PolarHBondContact O-N 2.89Å
242	L	98.9	Very high	96	Very high	0 Å²	0	37 Å²	37	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	111.6	169.8	-178.6	63.8	0	0	0	109.3	T163 P166 L167 G179 V180 V181 F240 T244 V267	T163-L242 HydrophobicContact CG2-CD2 3.82Å; P166-L242 HydrophobicContact CB-CD1 4.21Å; P166-L242 HydrophobicContact CG-CD1 3.64Å; L167-L242 HydrophobicContact CD1-CD2 4.49Å; L167-L242 HydrophobicContact CG-CD2 4.32Å; G179-L242 PolarHBondContact O-N 2.81Å; V180-L242 WeakPolarHBondContact CA-O 3.35Å; V181-L242 PolarHBondContact N-O 2.95Å; F240-L242 HydrophobicContact CE1-CB 3.85Å; F240-L242 HydrophobicContact CZ-CB 4.11Å; F240-L242 HydrophobicContact CZ-CD1 4.32Å; L242-T244 HydrophobicContact CD2-CG2 4.34Å; L242-T244 HydrophobicContact CG-CG2 4.03Å; L242-V267 HydrophobicContact CD1-CG1 3.83Å; L242-V267 HydrophobicContact CD1-CG2 3.84Å; L242-V267 HydrophobicContact CG-CG2 4.42Å
243	N	98.5	Very high	95.9	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.011	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	113	-178.6	-167.2	-31.9	0	0	0	111.2	V181 V245 H249 M264 T265 L266 V267 G268	V181-N243 HydrophobicContact CB-CB 4.22Å; V181-N243 HydrophobicContact CG2-CB 4.25Å; N243-V245 PolarHBondContact OD1-N 2.83Å; N243-H249 PolarHBondContact ND2-NE2 3.33Å; N243-H249 PolarHBondContact OD1-CE1 3.48Å; N243-M264 HydrophobicContact CB-CG 4.27Å; N243-M264 HydrophobicContact CB-SD 4.3Å; N243-T265 PolarHBondContact N-O 3.02Å; N243-L266 HydrophobicContact CB-CD2 3.74Å; N243-V267 PolarHBondContact O-N 2.93Å; N243-G268 PolarHBondContact O-N 3.14Å
244	T	97.4	Very high	95.9	Very high	13 Å²	13	33.8 Å²	33.8	8%	0.08	19%	0.193	C	C	.	.			trans	-108.6	12.2	-173.2	86.2	0	0	0	0	113.3	T163 V180 V181 L186 G187 L242 A246 V267	T163-T244 HydrophobicContact CG2-CG2 4.47Å; V180-T244 HydrophobicContact CG1-CG2 4.43Å; V181-T244 PolarHBondContact O-N 3Å; V181-T244 PolarHBondContact O-OG1 3.25Å; V181-T244 VanDerWaalsContact O-OG1 3.1Å; L186-T244 HydrophobicContact CB-CG2 3.91Å; G187-T244 PolarHBondContact N-OG1 3.26Å; L242-T244 HydrophobicContact CD2-CG2 4.34Å; L242-T244 HydrophobicContact CG-CG2 4.03Å; T244-A246 PolarHBondContact O-N 3.09Å; T244-V267 HydrophobicContact CG2-CG2 3.77Å
245	V	93.5	Very high	95.9	Very high	39 Å²	39	33 Å²	33	24%	0.236	19%	0.19	C	C	.	.			trans	-79.6	117.1	-175.8	178.1	0	0	0	0	110	V181 N243 A247	V181-V245 HydrophobicContact CB-CG2 4.45Å; V181-V245 HydrophobicContact CG1-CG2 3.8Å; N243-V245 PolarHBondContact OD1-N 2.83Å; V245-A247 HydrophobicContact CG1-CB 4.17Å; V245-A247 PolarHBondContact O-N 2.82Å; V245-A247 VanDerWaalsContact O-N 3.17Å
246	A	87.2	Confident	95.9	Very high	44 Å²	44	30.6 Å²	30.6	36%	0.364	18%	0.178	S	C	.	.			trans	-85.1	33.8	178.2	0	0	0	0	0	113.3	T244 P270	T244-A246 PolarHBondContact O-N 3.09Å; A246-P270 WeakPolarHBondContact O-CA 3.08Å
247	A	87.9	Confident	95.9	Very high	47 Å²	47	25.6 Å²	25.6	39%	0.388	16%	0.157	S	C	.	.	S	Bend	trans	-141.7	147.8	178.4	0	0	0	0	0	110.9	V245 H249	V245-A247 HydrophobicContact CG1-CB 4.17Å; V245-A247 PolarHBondContact O-N 2.82Å; V245-A247 VanDerWaalsContact O-N 3.17Å; A247-H249 PolarHBondContact O-N 3.4Å; A247-H249 PolarHBondContact O-ND1 2.86Å
248	P	86.9	Confident	95.9	Very high	66 Å²	66	24.1 Å²	24.1	43%	0.429	15%	0.146	S	C	.	.			trans	-57.6	130.4	174.7	-19.5	29.1	0	0	0	111.1	P270 T272	P248-P270 HydrophobicContact CG-CB 4.44Å; P248-T272 WeakPolarHBondContact CG-OG1 3.39Å
249	H	92	Very high	95.9	Very high	45 Å²	45	28 Å²	28	21%	0.208	16%	0.163	C	C	.	.			trans	-155.8	170.1	176.2	64.6	-81.1	0	0	0	109.9	N243 A247 L251 F254 H274	N243-H249 PolarHBondContact ND2-NE2 3.33Å; N243-H249 PolarHBondContact OD1-CE1 3.48Å; A247-H249 PolarHBondContact O-N 3.4Å; A247-H249 PolarHBondContact O-ND1 2.86Å; H249-L251 PolarHBondContact O-N 2.59Å; H249-F254 AromaticContact CD2-CE2 3.76Å; H249-H274 AromaticContact CE1-CE1 3.54Å; H249-H274 PolarHBondContact N-ND1 3.06Å; H249-H274 AromaticContact ND1-CE1 3.48Å; H249-H274 PolarHBondContact ND1-CE1 2.67Å; H249-H274 AromaticContact ND1-ND1 3.84Å; H249-H274 PolarHBondContact O-ND1 3.1Å
250	N	92.3	Very high	95.9	Very high	59 Å²	59	33.8 Å²	33.8	32%	0.316	18%	0.182	S	C	.	.			trans	-74.3	113.1	-177.5	-173.6	16.7	0	0	0	111.6	D252 D253 F254	N250-D252 VanDerWaalsContact C-N 3.35Å; N250-D252 WeakPolarHBondContact OD1-CB 3.3Å; N250-D252 PolarHBondContact OD1-N 3.46Å; N250-D252 VanDerWaalsContact OD1-N 3.11Å; N250-D252 PolarHBondContact OD1-OD2 2.87Å; N250-D253 WeakPolarHBondContact CB-OD2 3.49Å; N250-D253 PolarHBondContact ND2-OD1 3Å; N250-D253 PolarHBondContact ND2-OD2 3.03Å; N250-F254 WeakPolarHBondContact O-CD2 3.47Å
251	L	96.4	Very high	95.8	Very high	8 Å²	8	36.6 Å²	36.6	4%	0.042	20%	0.197	C	C	.	.	H	α-helix	trans	-78.4	-20.2	177.6	-62.7	-175.6	0	0	0	112.6	H249 D253 F254 T255 M264 L266 H274 P277	H249-L251 PolarHBondContact O-N 2.59Å; L251-D253 VanDerWaalsContact C-N 3.34Å; L251-D253 PolarHBondContact O-N 3.48Å; L251-F254 PolarHBondContact O-N 2.87Å; L251-T255 WeakPolarHBondContact O-CB 3.31Å; L251-T255 PolarHBondContact O-N 2.8Å; L251-T255 PolarHBondContact O-OG1 2.87Å; L251-M264 HydrophobicContact CB-CE 3.96Å; L251-M264 HydrophobicContact CD2-CE 4.05Å; L251-M264 HydrophobicContact CG-CE 4.42Å; L251-L266 HydrophobicContact CD1-CD1 4.17Å; L251-L266 HydrophobicContact CD2-CD2 4.12Å; L251-H274 HydrophobicContact CD1-CB 4.03Å; L251-H274 HydrophobicContact CG-CB 4.26Å; L251-P277 HydrophobicContact CB-CB 4.5Å
252	D	97.3	Very high	95.8	Very high	20 Å²	20	36.7 Å²	36.7	11%	0.107	20%	0.198	C	C	.	.	H	α-helix	trans	-65	-39.4	-177.7	-69.2	-45.8	0	0	0	112	N250 F254 T255 T256 E278 N281	N250-D252 VanDerWaalsContact C-N 3.35Å; N250-D252 WeakPolarHBondContact OD1-CB 3.3Å; N250-D252 PolarHBondContact OD1-N 3.46Å; N250-D252 VanDerWaalsContact OD1-N 3.11Å; N250-D252 PolarHBondContact OD1-OD2 2.87Å; D252-F254 PolarHBondContact O-N 3.14Å; D252-T255 PolarHBondContact O-N 3.43Å; D252-T255 VanDerWaalsContact O-N 3.16Å; D252-T256 WeakPolarHBondContact O-CG2 3.27Å; D252-T256 PolarHBondContact O-N 3.32Å; D252-E278 WeakPolarHBondContact OD1-CB 3.47Å; D252-E278 PolarHBondContact OD1-N 2.89Å; D252-N281 PolarHBondContact OD1-ND2 3.03Å
253	D	95.9	Very high	95.8	Very high	75 Å²	75	37.5 Å²	37.5	40%	0.401	20%	0.203	S	C	.	.	H	α-helix	trans	-57.4	-40.7	-179.7	-62.8	-29.8	0	0	0	110.7	M231 N250 L251 T256 L257	M231-D253 HydrophobicContact CE-CB 3.91Å; N250-D253 WeakPolarHBondContact CB-OD2 3.49Å; N250-D253 PolarHBondContact ND2-OD1 3Å; N250-D253 PolarHBondContact ND2-OD2 3.03Å; L251-D253 VanDerWaalsContact C-N 3.34Å; L251-D253 PolarHBondContact O-N 3.48Å; D253-T256 PolarHBondContact O-OG1 3.17Å; D253-L257 VanDerWaalsContact O-CG 3.31Å; D253-L257 WeakPolarHBondContact O-CG 3.43Å
254	F	98.3	Very high	95.9	Very high	7 Å²	7	37.4 Å²	37.4	3%	0.031	20%	0.202	C	C	.	.	H	α-helix	trans	-80.4	-36.6	177.3	-60.4	-77.8	0	0	0	112.9	V181 F204 M231 I241 H249 N250 L251 D252 T256 L257 M264	V181-F254 HydrophobicContact CB-CE1 4.29Å; V181-F254 HydrophobicContact CG1-CD1 4.42Å; V181-F254 HydrophobicContact CG1-CE1 3.65Å; V181-F254 HydrophobicContact CG1-CE2 4.1Å; V181-F254 HydrophobicContact CG1-CZ 3.45Å; V181-F254 VanDerWaalsContact CG1-CZ 3.45Å; V181-F254 HydrophobicContact CG2-CD1 3.64Å; V181-F254 HydrophobicContact CG2-CE1 3.58Å; V181-F254 HydrophobicContact CG2-CG 4.31Å; V181-F254 HydrophobicContact CG2-CZ 4.2Å; F204-F254 HydrophobicContact CB-CE1 4.02Å; F204-F254 HydrophobicContact CD1-CD1 4.45Å; F204-F254 AromaticContact CD1-CE1 3.81Å; F204-F254 HydrophobicContact CD1-CE1 3.81Å; F204-F254 HydrophobicContact CD2-CE1 4.39Å; F204-F254 HydrophobicContact CE1-CE1 4.35Å; F204-F254 HydrophobicContact CG-CD1 4.5Å; F204-F254 AromaticContact CG-CE1 3.82Å; F204-F254 HydrophobicContact CG-CE1 3.82Å; M231-F254 HydrophobicContact CE-CD1 4.2Å; M231-F254 HydrophobicContact CE-CE1 4.06Å; M231-F254 HydrophobicContact CE-CZ 4.46Å; I241-F254 HydrophobicContact CD1-CB 4.36Å; H249-F254 AromaticContact CD2-CE2 3.76Å; N250-F254 WeakPolarHBondContact O-CD2 3.47Å; L251-F254 PolarHBondContact O-N 2.87Å; D252-F254 PolarHBondContact O-N 3.14Å; F254-T256 PolarHBondContact O-N 2.87Å; F254-L257 HydrophobicContact CD1-CD1 4.33Å; F254-L257 WeakPolarHBondContact O-CB 3.4Å; F254-L257 PolarHBondContact O-N 3.48Å; F254-M264 HydrophobicContact CB-CE 4.43Å; F254-M264 HydrophobicContact CB-SD 3.65Å; F254-M264 HydrophobicContact CG-SD 4.45Å
255	T	98.6	Very high	95.9	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-59.6	-37.2	179.1	-57.4	0	0	0	0	111.2	L251 D252 L257 L258 N281 L282 R287	L251-T255 WeakPolarHBondContact O-CB 3.31Å; L251-T255 PolarHBondContact O-N 2.8Å; L251-T255 PolarHBondContact O-OG1 2.87Å; D252-T255 PolarHBondContact O-N 3.43Å; D252-T255 VanDerWaalsContact O-N 3.16Å; T255-L257 PolarHBondContact O-N 3.29Å; T255-L258 PolarHBondContact O-N 3.4Å; T255-N281 HydrophobicContact CG2-CB 3.79Å; T255-L282 HydrophobicContact CG2-CD2 3.64Å; T255-L282 HydrophobicContact CG2-CG 4.48Å; T255-R287 VanDerWaalsContact O-CD 3.3Å; T255-R287 WeakPolarHBondContact O-CD 3.3Å; T255-R287 PolarHBondContact O-NE 2.9Å; T255-R287 PolarHBondContact O-NH1 3.04Å
256	T	98.4	Very high	96.1	Very high	36 Å²	36	36.7 Å²	36.7	22%	0.221	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-21.2	178	65.7	0	0	0	0	113.9	L235 K236 D252 D253 F254 R287	L235-T256 WeakPolarHBondContact CD1-O 3.25Å; K236-T256 PolarHBondContact N-O 3.31Å; D252-T256 WeakPolarHBondContact O-CG2 3.27Å; D252-T256 PolarHBondContact O-N 3.32Å; D253-T256 PolarHBondContact O-OG1 3.17Å; F254-T256 PolarHBondContact O-N 2.87Å; T256-R287 PolarHBondContact O-NH2 3.3Å
257	L	98.9	Very high	96.6	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.01	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-19.9	178.6	-46.9	-177.2	0	0	0	112.8	F204 M231 K236 S237 F238 I241 D253 F254 T255	F204-L257 HydrophobicContact CE1-CD1 3.57Å; F204-L257 HydrophobicContact CZ-CD1 3.52Å; M231-L257 HydrophobicContact CE-CD1 3.7Å; M231-L257 HydrophobicContact CE-CG 4.39Å; M231-L257 WeakPolarHBondContact O-CD2 3.47Å; M231-L257 HydrophobicContact SD-CD1 4.13Å; K236-L257 CarbonylContact C-O 3.56Å; K236-L257 VanDerWaalsContact CA-O 3.29Å; K236-L257 WeakPolarHBondContact CA-O 3.31Å; K236-L257 PolarHBondContact N-O 3.16Å; S237-L257 PolarHBondContact N-O 3.5Å; F238-L257 HydrophobicContact CD2-CB 3.62Å; F238-L257 HydrophobicContact CE2-CB 3.99Å; F238-L257 HydrophobicContact CE2-CD1 4.12Å; F238-L257 PolarHBondContact N-O 2.94Å; I241-L257 HydrophobicContact CD1-CB 4.22Å; D253-L257 VanDerWaalsContact O-CG 3.31Å; D253-L257 WeakPolarHBondContact O-CG 3.43Å; F254-L257 HydrophobicContact CD1-CD1 4.33Å; F254-L257 WeakPolarHBondContact O-CB 3.4Å; F254-L257 PolarHBondContact O-N 3.48Å; T255-L257 PolarHBondContact O-N 3.29Å
258	L	98.9	Very high	96.9	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	140.3	179.6	-65.7	170.2	0	0	0	112.1	K236 F238 I241 T255 T263 M264 R287	K236-L258 WeakPolarHBondContact CA-O 3.4Å; F238-L258 HydrophobicContact CB-CD2 4.21Å; F238-L258 CarbonylContact O-C 3.57Å; I241-L258 HydrophobicContact CB-CD2 4.19Å; I241-L258 HydrophobicContact CD1-CD2 3.75Å; I241-L258 HydrophobicContact CD1-CG 4.13Å; I241-L258 HydrophobicContact CG1-CD2 3.71Å; T255-L258 PolarHBondContact O-N 3.4Å; L258-T263 WeakPolarHBondContact CD2-O 3.28Å; L258-M264 HydrophobicContact CD1-CB 4.04Å; L258-R287 HydrophobicContact CB-CG 3.91Å; L258-R287 HydrophobicContact CD1-CB 4.26Å; L258-R287 HydrophobicContact CD1-CG 4.32Å; L258-R287 PolarHBondContact O-NE 3.47Å; L258-R287 PolarHBondContact O-NH2 3.47Å
259	K	98.9	Very high	96.8	Very high	80 Å²	80	32.9 Å²	32.9	35%	0.348	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	174.3	167.1	-75.7	164.7	71.2	-175.1	0	110.7	K236 S237 F238 D239 D261 G262 R287	K236-K259 WeakPolarHBondContact O-CG 3.35Å; S237-K259 WeakPolarHBondContact O-CD 3.4Å; F238-K259 WeakPolarHBondContact O-CB 3.34Å; F238-K259 PolarHBondContact O-N 3.07Å; D239-K259 WeakPolarHBondContact OD1-CE 3.42Å; D239-K259 IonicContact OD1-NZ 2.7Å; D239-K259 PolarHBondContact OD1-NZ 3.28Å; D239-K259 IonicContact OD2-NZ 3.55Å; K259-D261 PolarHBondContact O-N 2.95Å; K259-G262 PolarHBondContact O-N 3.03Å; K259-G262 VanDerWaalsContact O-N 3.13Å; K259-R287 WeakPolarHBondContact O-CG 3.37Å
260	R	98.8	Very high	96.4	Very high	164 Å²	164	32.1 Å²	32.1	62%	0.619	17%	0.169	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-61.2	132.3	164.1	174.2	-126.6	49.6	-170.9	-3.6	108.9	G262 K285	R260-G262 PolarHBondContact O-N 3.27Å; R260-K285 VanDerWaalsContact CA-O 3.23Å; R260-K285 WeakPolarHBondContact CA-O 3.43Å; R260-K285 HydrophobicContact CB-CD 4.24Å; R260-K285 WeakPolarHBondContact CG-O 3.19Å
261	D	98.8	Very high	95.8	Very high	62 Å²	62	32.6 Å²	32.6	33%	0.332	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	69	8.4	-173.5	-52.1	-37.4	0	0	0	115	K259 K285 R286	K259-D261 PolarHBondContact O-N 2.95Å; D261-K285 PolarHBondContact N-O 2.81Å; D261-R286 WeakPolarHBondContact CA-O 3.43Å; D261-R286 IonicContact OD1-CZ 2.91Å; D261-R286 IonicContact OD1-NE 3.17Å; D261-R286 PolarHBondContact OD1-NE 3Å; D261-R286 IonicContact OD1-NH2 3.76Å; D261-R286 PolarHBondContact OD1-NH2 3.05Å; D261-R286 IonicContact OD2-CZ 3.33Å; D261-R286 IonicContact OD2-NH2 3.42Å; D261-R286 PolarHBondContact OD2-NH2 3.01Å
262	G	98.9	Very high	95.3	Very high	2 Å²	2	36.1 Å²	36.1	2%	0.021	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	149.7	174.8	0	0	0	0	0	112.1	D239 K259 R260 R287 A288	D239-G262 WeakPolarHBondContact O-CA 3.32Å; K259-G262 PolarHBondContact O-N 3.03Å; K259-G262 VanDerWaalsContact O-N 3.13Å; R260-G262 PolarHBondContact O-N 3.27Å; G262-R287 WeakPolarHBondContact O-CA 3.37Å; G262-R287 WeakPolarHBondContact O-CB 3.28Å; G262-A288 PolarHBondContact O-N 2.69Å
263	T	98.9	Very high	94.8	Very high	16 Å²	16	40.7 Å²	40.7	10%	0.098	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	140.3	179.6	-58.3	0	0	0	0	111.1	W170 D239 F240 I241 L258 A288 A290	W170-T263 HydrophobicContact CZ2-CG2 3.99Å; W170-T263 PolarHBondContact NE1-OG1 3.39Å; D239-T263 PolarHBondContact O-N 3.39Å; F240-T263 WeakPolarHBondContact CA-O 3.34Å; F240-T263 VanDerWaalsContact CD2-O 3.3Å; F240-T263 WeakPolarHBondContact CD2-O 3.14Å; I241-T263 PolarHBondContact N-O 2.84Å; L258-T263 WeakPolarHBondContact CD2-O 3.28Å; T263-A288 WeakPolarHBondContact CA-O 3.36Å; T263-A288 HydrophobicContact CG2-CB 4.14Å; T263-A290 HydrophobicContact CG2-CB 4.23Å
264	M	98.8	Very high	94.4	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	122.8	163.6	174.7	170.4	61.4	0	0	109.5	I241 N243 L251 F254 L258 L266 A288 I289 A290	I241-M264 HydrophobicContact CB-CB 4.2Å; I241-M264 HydrophobicContact CB-CG 4.19Å; I241-M264 HydrophobicContact CG2-CG 4.04Å; I241-M264 HydrophobicContact CG2-SD 4.25Å; I241-M264 CarbonylContact O-C 3.54Å; I241-M264 VanDerWaalsContact O-CA 3.27Å; I241-M264 WeakPolarHBondContact O-CA 3.42Å; N243-M264 HydrophobicContact CB-CG 4.27Å; N243-M264 HydrophobicContact CB-SD 4.3Å; L251-M264 HydrophobicContact CB-CE 3.96Å; L251-M264 HydrophobicContact CD2-CE 4.05Å; L251-M264 HydrophobicContact CG-CE 4.42Å; F254-M264 HydrophobicContact CB-CE 4.43Å; F254-M264 HydrophobicContact CB-SD 3.65Å; F254-M264 HydrophobicContact CG-SD 4.45Å; L258-M264 HydrophobicContact CD1-CB 4.04Å; M264-L266 HydrophobicContact CE-CD2 4.38Å; M264-L266 HydrophobicContact CG-CD2 4.11Å; M264-L266 HydrophobicContact SD-CD2 4.3Å; M264-A288 PolarHBondContact N-O 2.99Å; M264-I289 HydrophobicContact CE-CD1 3.92Å; M264-I289 HydrophobicContact CE-CG1 4.02Å; M264-I289 CarbonylContact O-C 3.56Å; M264-I289 VanDerWaalsContact O-CA 3.28Å; M264-I289 WeakPolarHBondContact O-CA 3.34Å; M264-A290 PolarHBondContact O-N 2.9Å
265	T	98.8	Very high	94	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	127.3	176.3	-63.5	0	0	0	0	110.5	P166 W170 F240 I241 N243 V267 A290	P166-T265 HydrophobicContact CB-CG2 3.96Å; W170-T265 HydrophobicContact CE3-CG2 4.36Å; W170-T265 VanDerWaalsContact CE3-OG1 3.28Å; W170-T265 HydrophobicContact CH2-CG2 3.86Å; W170-T265 WeakPolarHBondContact CH2-OG1 3.23Å; W170-T265 VanDerWaalsContact CZ2-OG1 3.28Å; W170-T265 WeakPolarHBondContact CZ2-OG1 3.35Å; W170-T265 HydrophobicContact CZ3-CG2 3.62Å; W170-T265 WeakPolarHBondContact CZ3-OG1 3.45Å; F240-T265 WeakPolarHBondContact CE2-OG1 3.34Å; I241-T265 PolarHBondContact O-N 2.89Å; N243-T265 PolarHBondContact N-O 3.02Å; T265-V267 HydrophobicContact CG2-CG1 4.33Å; T265-A290 WeakPolarHBondContact CA-O 3.45Å
266	L	98	Very high	93.8	Very high	37 Å²	37	50.9 Å²	50.9	19%	0.194	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	125.5	178.6	-50.3	-178.4	0	0	0	109.3	N243 L251 M264 I289 A290 G291 S292	N243-L266 HydrophobicContact CB-CD2 3.74Å; L251-L266 HydrophobicContact CD1-CD1 4.17Å; L251-L266 HydrophobicContact CD2-CD2 4.12Å; M264-L266 HydrophobicContact CE-CD2 4.38Å; M264-L266 HydrophobicContact CG-CD2 4.11Å; M264-L266 HydrophobicContact SD-CD2 4.3Å; L266-I289 HydrophobicContact CD1-CG2 4.05Å; L266-I289 HydrophobicContact CG-CG2 4.14Å; L266-A290 PolarHBondContact N-O 3Å; L266-G291 WeakPolarHBondContact O-CA 3.48Å; L266-S292 PolarHBondContact O-N 2.84Å
267	V	97.8	Very high	93.6	Very high	19 Å²	19	51.2 Å²	51.2	12%	0.115	29%	0.291	C	S	.	.			trans	-125.5	-8.5	172.3	-59.7	0	0	0	0	112.5	T162 P166 L186 L242 N243 T244 T265	T162-V267 HydrophobicContact CG2-CB 3.8Å; T162-V267 HydrophobicContact CG2-CG1 4.18Å; T162-V267 HydrophobicContact CG2-CG2 4.35Å; P166-V267 HydrophobicContact CG-CG1 4.15Å; L186-V267 HydrophobicContact CD1-CG2 4.18Å; L242-V267 HydrophobicContact CD1-CG1 3.83Å; L242-V267 HydrophobicContact CD1-CG2 3.84Å; L242-V267 HydrophobicContact CG-CG2 4.42Å; N243-V267 PolarHBondContact O-N 2.93Å; T244-V267 HydrophobicContact CG2-CG2 3.77Å; T265-V267 HydrophobicContact CG2-CG1 4.33Å
268	G	92.4	Very high	93.5	Very high	14 Å²	14	56 Å²	56	14%	0.144	31%	0.313	C	S	.	.			trans	-74.6	135.5	168.4	0	0	0	0	0	110.9	N243 P270	N243-G268 PolarHBondContact O-N 3.14Å; G268-P270 VanDerWaalsContact O-CD 3.24Å; G268-P270 WeakPolarHBondContact O-CD 3.42Å
269	A	85.6	Confident	93.5	Very high	44 Å²	44	60.1 Å²	60.1	36%	0.364	34%	0.338	S	S	.	.			trans	-108.9	90.8	179.5	0	0	0	0	0	110.5	W51	W51-A269 HydrophobicContact CH2-CB 4.41Å; W51-A269 HydrophobicContact CZ2-CB 3.76Å
270	P	83.2	Confident	93.5	Very high	30 Å²	30	62.1 Å²	62.1	20%	0.195	35%	0.347	C	S	.	.			trans	-73.2	149.8	176.9	32.6	-36.9	0	0	0	111.9	A246 P248 G268 T272	A246-P270 WeakPolarHBondContact O-CA 3.08Å; P248-P270 HydrophobicContact CG-CB 4.44Å; G268-P270 VanDerWaalsContact O-CD 3.24Å; G268-P270 WeakPolarHBondContact O-CD 3.42Å; P270-T272 WeakPolarHBondContact CB-O 3.43Å; P270-T272 WeakPolarHBondContact CG-O 3.35Å; P270-T272 PolarHBondContact O-N 3.22Å
271	A	80.8	Confident	93.4	Very high	68 Å²	68	56.1 Å²	56.1	56%	0.562	33%	0.327	S	S	*	.	S	Bend	trans	-67.6	-18.5	174.7	0	0	0	0	0	113.4
272	T	84.4	Confident	93.4	Very high	82 Å²	82	54.9 Å²	54.9	50%	0.503	32%	0.32	S	S	.	.	S	Bend	trans	-134.8	153.6	176.8	55.1	0	0	0	0	111.1	P248 P270	P248-T272 WeakPolarHBondContact CG-OG1 3.39Å; P270-T272 WeakPolarHBondContact CB-O 3.43Å; P270-T272 WeakPolarHBondContact CG-O 3.35Å; P270-T272 PolarHBondContact O-N 3.22Å
273	P	87.5	Confident	93.4	Very high	117 Å²	117	60.2 Å²	60.2	76%	0.76	35%	0.347	S	S	*	.	P	Polyproline II helix	trans	-62.9	151	-177.4	-23.1	33.9	0	0	0	113.4
274	H	87.4	Confident	93.4	Very high	39 Å²	39	64.6 Å²	64.6	18%	0.181	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-64	160.4	162.9	-60.9	-86.3	0	0	0	110.7	H249 L251 S276	H249-H274 AromaticContact CE1-CE1 3.54Å; H249-H274 PolarHBondContact N-ND1 3.06Å; H249-H274 AromaticContact ND1-CE1 3.48Å; H249-H274 PolarHBondContact ND1-CE1 2.67Å; H249-H274 AromaticContact ND1-ND1 3.84Å; H249-H274 PolarHBondContact O-ND1 3.1Å; L251-H274 HydrophobicContact CD1-CB 4.03Å; L251-H274 HydrophobicContact CG-CB 4.26Å; H274-S276 PolarHBondContact O-N 3.28Å
275	K	90.9	Very high	93.4	Very high	156 Å²	156	68.3 Å²	68.3	68%	0.678	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-59.7	137.1	159	-175.2	-170.6	172.5	-160.9	0	108.4
276	S	93.2	Very high	93.4	Very high	101 Å²	101	76.7 Å²	76.7	71%	0.706	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-53.8	133.1	174	-57.2	0	0	0	0	110.7	H274	H274-S276 PolarHBondContact O-N 3.28Å
277	P	95.4	Very high	93.4	Very high	42 Å²	42	75.9 Å²	75.9	27%	0.273	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-70	148.4	180	29.5	-34.8	0	0	0	111.3	L251 V279 I289	L251-P277 HydrophobicContact CB-CB 4.5Å; P277-V279 PolarHBondContact O-N 3.3Å; P277-I289 HydrophobicContact CB-CD1 3.88Å; P277-I289 HydrophobicContact CG-CD1 3.88Å
278	E	97.2	Very high	93.5	Very high	104 Å²	104	77 Å²	77	49%	0.486	42%	0.422	S	S	.	.			trans	-66.9	112	175.5	-179.3	54.7	-108.9	0	0	110.3	D252 F280 N281	D252-E278 WeakPolarHBondContact OD1-CB 3.47Å; D252-E278 PolarHBondContact OD1-N 2.89Å; E278-F280 HydrophobicContact CG-CB 4.31Å; E278-F280 PolarHBondContact O-N 2.89Å; E278-F280 VanDerWaalsContact O-N 3.16Å; E278-F280 PolarHBondContact OE1-N 3.41Å; E278-N281 WeakPolarHBondContact O-CB 3.39Å; E278-N281 PolarHBondContact O-N 3.03Å
279	V	97.9	Very high	93.7	Very high	85 Å²	85	78.9 Å²	78.9	52%	0.515	43%	0.427	S	S	.	.	H	α-helix	trans	-61.6	-30.5	-173.6	178.6	0	0	0	0	111.4	P277 N281 L282 I283	P277-V279 PolarHBondContact O-N 3.3Å; V279-N281 VanDerWaalsContact C-N 3.26Å; V279-N281 PolarHBondContact O-N 3.47Å; V279-L282 WeakPolarHBondContact O-CB 3.41Å; V279-L282 PolarHBondContact O-N 3.02Å; V279-I283 HydrophobicContact CG1-CD1 3.71Å; V279-I283 HydrophobicContact CG1-CG1 4.04Å; V279-I283 PolarHBondContact O-N 3.32Å
280	F	98.1	Very high	94.3	Very high	122 Å²	122	78.1 Å²	78.1	54%	0.535	42%	0.421	S	S	.	.	H	α-helix	trans	-64.5	-31.3	179	-158.2	-108.3	0	0	0	112.8	E278 L282 I283 M284	E278-F280 HydrophobicContact CG-CB 4.31Å; E278-F280 PolarHBondContact O-N 2.89Å; E278-F280 VanDerWaalsContact O-N 3.16Å; E278-F280 PolarHBondContact OE1-N 3.41Å; F280-L282 PolarHBondContact O-N 2.85Å; F280-I283 PolarHBondContact O-N 3.17Å; F280-M284 HydrophobicContact CD1-CG 3.51Å; F280-M284 HydrophobicContact CD1-SD 4.43Å; F280-M284 HydrophobicContact CD2-CG 4.21Å; F280-M284 HydrophobicContact CE1-CE 4.33Å; F280-M284 HydrophobicContact CE1-CG 3.23Å; F280-M284 HydrophobicContact CE1-SD 3.65Å; F280-M284 HydrophobicContact CE2-CG 3.96Å; F280-M284 HydrophobicContact CE2-SD 3.77Å; F280-M284 HydrophobicContact CG-CG 4.01Å; F280-M284 HydrophobicContact CZ-CE 4.21Å; F280-M284 HydrophobicContact CZ-CG 3.49Å; F280-M284 VanDerWaalsContact CZ-CG 3.49Å; F280-M284 HydrophobicContact CZ-SD 3.26Å; F280-M284 WeakPolarHBondContact CZ-SD 3.47Å; F280-M284 WeakPolarHBondContact O-CB 3.38Å; F280-M284 VanDerWaalsContact O-CG 3.27Å; F280-M284 WeakPolarHBondContact O-CG 3.34Å; F280-M284 PolarHBondContact O-N 3.38Å
281	N	98.3	Very high	95	Very high	38 Å²	38	79.4 Å²	79.4	20%	0.203	44%	0.44	C	S	.	.	H	α-helix	trans	-63.8	-30.6	174.3	-74.1	-34.3	0	0	0	112	D252 T255 E278 V279 R287	D252-N281 PolarHBondContact OD1-ND2 3.03Å; T255-N281 HydrophobicContact CG2-CB 3.79Å; E278-N281 WeakPolarHBondContact O-CB 3.39Å; E278-N281 PolarHBondContact O-N 3.03Å; V279-N281 VanDerWaalsContact C-N 3.26Å; V279-N281 PolarHBondContact O-N 3.47Å; N281-R287 WeakPolarHBondContact O-CD 3.43Å; N281-R287 PolarHBondContact O-NH1 2.56Å
282	L	98.7	Very high	95.9	Very high	37 Å²	37	77 Å²	77	19%	0.194	42%	0.419	C	S	.	.	H	α-helix	trans	-77.3	-52.1	175.2	-56.7	175.9	0	0	0	111.1	T255 V279 F280 M284 K285 R286 R287 I289	T255-L282 HydrophobicContact CG2-CD2 3.64Å; T255-L282 HydrophobicContact CG2-CG 4.48Å; V279-L282 WeakPolarHBondContact O-CB 3.41Å; V279-L282 PolarHBondContact O-N 3.02Å; F280-L282 PolarHBondContact O-N 2.85Å; L282-M284 PolarHBondContact O-N 3.35Å; L282-K285 PolarHBondContact O-N 2.82Å; L282-R286 WeakPolarHBondContact O-CA 3.49Å; L282-R286 PolarHBondContact O-N 3.46Å; L282-R287 HydrophobicContact CD2-CB 4.1Å; L282-R287 PolarHBondContact O-N 2.69Å; L282-I289 HydrophobicContact CD2-CD1 4.21Å; L282-I289 HydrophobicContact CD2-CG1 4.11Å
283	I	98.6	Very high	96.5	Very high	113 Å²	113	77.3 Å²	77.3	58%	0.579	42%	0.416	S	S	*	.	H	α-helix	trans	-57	-49.4	-176.3	-69.9	173.9	0	0	0	111.4	V279 F280 K285 R286	V279-I283 HydrophobicContact CG1-CD1 3.71Å; V279-I283 HydrophobicContact CG1-CG1 4.04Å; V279-I283 PolarHBondContact O-N 3.32Å; F280-I283 PolarHBondContact O-N 3.17Å; I283-K285 PolarHBondContact O-N 2.76Å; I283-R286 PolarHBondContact O-N 2.8Å
284	M	98.4	Very high	97	Very high	108 Å²	108	72.4 Å²	72.4	53%	0.532	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-14.8	-170	-72	-57.5	-69	0	0	114.9	F280 L282	F280-M284 HydrophobicContact CD1-CG 3.51Å; F280-M284 HydrophobicContact CD1-SD 4.43Å; F280-M284 HydrophobicContact CD2-CG 4.21Å; F280-M284 HydrophobicContact CE1-CE 4.33Å; F280-M284 HydrophobicContact CE1-CG 3.23Å; F280-M284 HydrophobicContact CE1-SD 3.65Å; F280-M284 HydrophobicContact CE2-CG 3.96Å; F280-M284 HydrophobicContact CE2-SD 3.77Å; F280-M284 HydrophobicContact CG-CG 4.01Å; F280-M284 HydrophobicContact CZ-CE 4.21Å; F280-M284 HydrophobicContact CZ-CG 3.49Å; F280-M284 VanDerWaalsContact CZ-CG 3.49Å; F280-M284 HydrophobicContact CZ-SD 3.26Å; F280-M284 WeakPolarHBondContact CZ-SD 3.47Å; F280-M284 WeakPolarHBondContact O-CB 3.38Å; F280-M284 VanDerWaalsContact O-CG 3.27Å; F280-M284 WeakPolarHBondContact O-CG 3.34Å; F280-M284 PolarHBondContact O-N 3.38Å; L282-M284 PolarHBondContact O-N 3.35Å
285	K	98.7	Very high	97.6	Very high	78 Å²	78	70.6 Å²	70.6	34%	0.339	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.3	11.4	-179.9	-68.4	-64.5	167.8	-168.3	0	113.6	R260 D261 L282 I283 R287	R260-K285 VanDerWaalsContact CA-O 3.23Å; R260-K285 WeakPolarHBondContact CA-O 3.43Å; R260-K285 HydrophobicContact CB-CD 4.24Å; R260-K285 WeakPolarHBondContact CG-O 3.19Å; D261-K285 PolarHBondContact N-O 2.81Å; L282-K285 PolarHBondContact O-N 2.82Å; I283-K285 PolarHBondContact O-N 2.76Å; K285-R287 HydrophobicContact CB-CG 3.85Å; K285-R287 PolarHBondContact O-N 3.14Å
286	R	98.7	Very high	98	Very high	177 Å²	177	63.2 Å²	63.2	67%	0.668	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.2	44.8	-175	-166	171.4	62.5	176.9	2	111.4	D261 L282 I283	D261-R286 WeakPolarHBondContact CA-O 3.43Å; D261-R286 IonicContact OD1-CZ 2.91Å; D261-R286 IonicContact OD1-NE 3.17Å; D261-R286 PolarHBondContact OD1-NE 3Å; D261-R286 IonicContact OD1-NH2 3.76Å; D261-R286 PolarHBondContact OD1-NH2 3.05Å; D261-R286 IonicContact OD2-CZ 3.33Å; D261-R286 IonicContact OD2-NH2 3.42Å; D261-R286 PolarHBondContact OD2-NH2 3.01Å; L282-R286 WeakPolarHBondContact O-CA 3.49Å; L282-R286 PolarHBondContact O-N 3.46Å; I283-R286 PolarHBondContact O-N 2.8Å
287	R	98.8	Very high	98.2	Very high	19 Å²	19	59.2 Å²	59.2	7%	0.072	31%	0.314	C	S	.	.			trans	-83.4	159.1	177.4	-66.6	157.7	178.3	161.7	-16.8	109.9	K236 T255 T256 L258 K259 G262 N281 L282 K285	K236-R287 VanDerWaalsContact CG-NH2 3.28Å; T255-R287 VanDerWaalsContact O-CD 3.3Å; T255-R287 WeakPolarHBondContact O-CD 3.3Å; T255-R287 PolarHBondContact O-NE 2.9Å; T255-R287 PolarHBondContact O-NH1 3.04Å; T256-R287 PolarHBondContact O-NH2 3.3Å; L258-R287 HydrophobicContact CB-CG 3.91Å; L258-R287 HydrophobicContact CD1-CB 4.26Å; L258-R287 HydrophobicContact CD1-CG 4.32Å; L258-R287 PolarHBondContact O-NE 3.47Å; L258-R287 PolarHBondContact O-NH2 3.47Å; K259-R287 WeakPolarHBondContact O-CG 3.37Å; G262-R287 WeakPolarHBondContact O-CA 3.37Å; G262-R287 WeakPolarHBondContact O-CB 3.28Å; N281-R287 WeakPolarHBondContact O-CD 3.43Å; N281-R287 PolarHBondContact O-NH1 2.56Å; L282-R287 HydrophobicContact CD2-CB 4.1Å; L282-R287 PolarHBondContact O-N 2.69Å; K285-R287 HydrophobicContact CB-CG 3.85Å; K285-R287 PolarHBondContact O-N 3.14Å
288	A	98.7	Very high	98.4	Very high	44 Å²	44	60.9 Å²	60.9	36%	0.364	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	155.7	175.7	0	0	0	0	0	112	G262 T263 M264	G262-A288 PolarHBondContact O-N 2.69Å; T263-A288 WeakPolarHBondContact CA-O 3.36Å; T263-A288 HydrophobicContact CG2-CB 4.14Å; M264-A288 PolarHBondContact N-O 2.99Å
289	I	98.3	Very high	98.5	Very high	52 Å²	52	58 Å²	58	27%	0.267	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	131.5	165.1	-64.2	173.1	0	0	0	106.7	M264 L266 P277 L282	M264-I289 HydrophobicContact CE-CD1 3.92Å; M264-I289 HydrophobicContact CE-CG1 4.02Å; M264-I289 CarbonylContact O-C 3.56Å; M264-I289 VanDerWaalsContact O-CA 3.28Å; M264-I289 WeakPolarHBondContact O-CA 3.34Å; L266-I289 HydrophobicContact CD1-CG2 4.05Å; L266-I289 HydrophobicContact CG-CG2 4.14Å; P277-I289 HydrophobicContact CB-CD1 3.88Å; P277-I289 HydrophobicContact CG-CD1 3.88Å; L282-I289 HydrophobicContact CD2-CD1 4.21Å; L282-I289 HydrophobicContact CD2-CG1 4.11Å
290	A	98.4	Very high	98.5	Very high	29 Å²	29	54.3 Å²	54.3	24%	0.24	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	168.6	-179.6	0	0	0	0	0	111.3	W170 T263 M264 T265 L266	W170-A290 HydrophobicContact CH2-CB 3.68Å; W170-A290 HydrophobicContact CZ2-CB 3.48Å; W170-A290 VanDerWaalsContact CZ2-CB 3.48Å; T263-A290 HydrophobicContact CG2-CB 4.23Å; M264-A290 PolarHBondContact O-N 2.9Å; T265-A290 WeakPolarHBondContact CA-O 3.45Å; L266-A290 PolarHBondContact N-O 3Å
291	G	97.7	Very high	98.6	Very high	56 Å²	56	50.4 Å²	50.4	58%	0.577	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.5	156.9	166.4	0	0	0	0	0	110.3	L266	L266-G291 WeakPolarHBondContact O-CA 3.48Å
292	S	98.6	Very high	98.6	Very high	18 Å²	18	53.2 Å²	53.2	13%	0.126	28%	0.284	C	S	.	.			trans	-145.3	143.7	170.7	-172.2	0	0	0	0	109.4	L266	L266-S292 PolarHBondContact O-N 2.84Å
293	M	98	Very high	98.6	Very high	88 Å²	88	51.4 Å²	51.4	43%	0.433	28%	0.275	S	S	.	.			trans	-131.6	124.4	178.7	-172.4	-172	68.9	0	0	110	N105 Y106 M110 G295	N105-M293 PolarHBondContact ND2-O 3.35Å; N105-M293 WeakPolarHBondContact O-CE 3.33Å; Y106-M293 HydrophobicContact CE1-CB 4.43Å; Y106-M293 PolarHBondContact OH-N 3.3Å; M110-M293 HydrophobicContact CE-CE 4.44Å; M293-G295 PolarHBondContact O-N 2.82Å
294	I	98.3	Very high	98.6	Very high	14 Å²	14	46 Å²	46	7%	0.072	25%	0.247	C	C	.	.	S	Bend	trans	47.3	-135.1	177.9	63.6	173.3	0	0	0	111.6	C88 I89 N105 I161 S165	C88-I294 HydrophobicContact CB-CD1 3.96Å; C88-I294 HydrophobicContact CB-CG2 4.05Å; I89-I294 HydrophobicContact CD1-CD1 3.73Å; I89-I294 HydrophobicContact CG1-CD1 3.7Å; N105-I294 HydrophobicContact CB-CD1 3.41Å; N105-I294 VanDerWaalsContact CB-CD1 3.41Å; N105-I294 HydrophobicContact CB-CG1 3.35Å; I161-I294 HydrophobicContact CG2-CB 4.49Å; S165-I294 VanDerWaalsContact CB-O 3.24Å; S165-I294 WeakPolarHBondContact CB-O 3.25Å
295	G	98.6	Very high	98.6	Very high	2 Å²	2	44 Å²	44	2%	0.021	24%	0.238	C	C	.	.			trans	-164	167.7	166	0	0	0	0	0	108.3	M293	M293-G295 PolarHBondContact O-N 2.82Å
296	G	98.8	Very high	98.7	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.227	C	C	.	.			trans	-69.2	167	175.4	0	0	0	0	0	112.2	G102 N105 E299 T300	G102-G296 VanDerWaalsContact O-CA 3.29Å; G102-G296 WeakPolarHBondContact O-CA 3.33Å; N105-G296 WeakPolarHBondContact OD1-CA 3.34Å; N105-G296 PolarHBondContact OD1-N 3.33Å; G296-E299 PolarHBondContact O-N 2.81Å; G296-T300 WeakPolarHBondContact O-CB 3.44Å; G296-T300 PolarHBondContact O-N 3.18Å; G296-T300 PolarHBondContact O-OG1 2.79Å
297	I	98.9	Very high	98.7	Very high	18 Å²	18	33 Å²	33	9%	0.092	20%	0.195	C	C	.	.	H	α-helix	trans	-62.3	-42.8	-177.7	-57.7	-63.4	0	0	0	112.6	I89 E104 R138 Y139 L141 E299 T300 Q301	I89-I297 HydrophobicContact CB-CD1 4.46Å; I89-I297 HydrophobicContact CD1-CD1 4.45Å; E104-I297 PolarHBondContact OE2-N 3.04Å; R138-I297 VanDerWaalsContact O-CG2 3.3Å; R138-I297 WeakPolarHBondContact O-CG2 3.27Å; Y139-I297 HydrophobicContact CD1-CD1 4.03Å; Y139-I297 HydrophobicContact CD1-CG1 3.82Å; L141-I297 HydrophobicContact CD1-CG2 4.37Å; L141-I297 HydrophobicContact CD2-CD1 4.02Å; L141-I297 HydrophobicContact CD2-CG2 3.81Å; I297-E299 PolarHBondContact O-N 2.82Å; I297-T300 PolarHBondContact O-N 3.08Å; I297-Q301 PolarHBondContact O-N 3.01Å
298	P	98.9	Very high	98.7	Very high	77 Å²	77	33.4 Å²	33.4	50%	0.5	20%	0.203	S	C	.	.	H	α-helix	trans	-58.9	-44.9	176.3	-25.7	36.5	0	0	0	113.2	G102 T300 Q301 E302	G102-P298 WeakPolarHBondContact O-CD 3.49Å; P298-T300 VanDerWaalsContact C-N 3.34Å; P298-T300 PolarHBondContact O-N 3.32Å; P298-Q301 PolarHBondContact O-N 2.98Å; P298-E302 PolarHBondContact O-N 2.64Å
299	E	98.9	Very high	98.7	Very high	42 Å²	42	38.9 Å²	38.9	20%	0.196	22%	0.221	C	C	.	.	H	α-helix	trans	-69.3	-33.3	178.5	-168.5	178.9	-138.9	0	0	111.9	I161 Y164 S165 G296 I297 Q301 E302 M303	I161-E299 HydrophobicContact CD1-CB 4.24Å; I161-E299 HydrophobicContact CD1-CG 3.88Å; Y164-E299 HydrophobicContact CD1-CG 4.08Å; Y164-E299 HydrophobicContact CE1-CG 4.07Å; S165-E299 WeakPolarHBondContact CA-OE1 3.35Å; S165-E299 WeakPolarHBondContact CA-OE2 3.44Å; S165-E299 WeakPolarHBondContact CB-OE2 3.37Å; S165-E299 PolarHBondContact OG-OE2 2.75Å; G296-E299 PolarHBondContact O-N 2.81Å; I297-E299 PolarHBondContact O-N 2.82Å; E299-Q301 VanDerWaalsContact C-N 3.32Å; E299-Q301 PolarHBondContact O-N 3.28Å; E299-E302 PolarHBondContact O-N 3.29Å; E299-M303 WeakPolarHBondContact O-CB 3.17Å; E299-M303 PolarHBondContact O-N 3.28Å
300	T	98.9	Very high	98.7	Very high	8 Å²	8	41.1 Å²	41.1	5%	0.049	23%	0.23	C	C	.	.	H	α-helix	trans	-63.7	-39.9	173.1	-52.6	0	0	0	0	111	L141 L157 I161 G296 I297 P298 M303 L304	L141-T300 HydrophobicContact CD1-CG2 3.6Å; L141-T300 HydrophobicContact CG-CG2 3.88Å; L157-T300 HydrophobicContact CD1-CG2 4.37Å; I161-T300 HydrophobicContact CB-CG2 4.36Å; I161-T300 WeakPolarHBondContact CG1-OG1 3.35Å; G296-T300 WeakPolarHBondContact O-CB 3.44Å; G296-T300 PolarHBondContact O-N 3.18Å; G296-T300 PolarHBondContact O-OG1 2.79Å; I297-T300 PolarHBondContact O-N 3.08Å; P298-T300 VanDerWaalsContact C-N 3.34Å; P298-T300 PolarHBondContact O-N 3.32Å; T300-M303 PolarHBondContact O-N 2.83Å; T300-L304 WeakPolarHBondContact O-CG 3.44Å; T300-L304 PolarHBondContact O-N 3.25Å; T300-L304 VanDerWaalsContact O-N 3.07Å
301	Q	98.9	Very high	98.7	Very high	40 Å²	40	41.9 Å²	41.9	19%	0.187	24%	0.24	C	C	.	.	H	α-helix	trans	-67	-45	175.2	-172	61.4	64.7	0	0	111.1	L141 R142 I297 P298 E299 M303 L304 D305	L141-Q301 HydrophobicContact CD1-CB 3.81Å; L141-Q301 VanDerWaalsContact CD1-N 3.32Å; R142-Q301 PolarHBondContact O-NE2 3.36Å; I297-Q301 PolarHBondContact O-N 3.01Å; P298-Q301 PolarHBondContact O-N 2.98Å; E299-Q301 VanDerWaalsContact C-N 3.32Å; E299-Q301 PolarHBondContact O-N 3.28Å; Q301-M303 VanDerWaalsContact C-N 3.31Å; Q301-M303 PolarHBondContact O-N 2.93Å; Q301-L304 PolarHBondContact O-N 3.15Å; Q301-D305 PolarHBondContact NE2-OD1 3.49Å; Q301-D305 VanDerWaalsContact O-CG 3.32Å; Q301-D305 PolarHBondContact O-N 3.14Å
302	E	98.9	Very high	98.7	Very high	97 Å²	97	40 Å²	40	45%	0.453	22%	0.217	S	C	.	.	H	α-helix	trans	-55.7	-46.1	174.9	-172.5	-164.5	-98.3	0	0	111.4	Y164 R168 P298 E299 L304 D305 F306	Y164-E302 VanDerWaalsContact CE1-OE2 3.22Å; Y164-E302 WeakPolarHBondContact CE1-OE2 3.19Å; Y164-E302 VanDerWaalsContact CZ-OE2 3.28Å; Y164-E302 PolarHBondContact OH-OE2 3.02Å; R168-E302 IonicContact NE-OE2 2.85Å; P298-E302 PolarHBondContact O-N 2.64Å; E299-E302 PolarHBondContact O-N 3.29Å; E302-L304 PolarHBondContact O-N 3.26Å; E302-D305 PolarHBondContact O-N 2.65Å; E302-F306 WeakPolarHBondContact O-CB 3.33Å; E302-F306 PolarHBondContact O-N 3.08Å
303	M	98.9	Very high	98.7	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-61.5	-43.1	177.8	179.6	-134.9	61.3	0	0	112	L156 I161 Y164 E299 T300 Q301 D305 F306 C307	L156-M303 HydrophobicContact CB-CE 3.7Å; L156-M303 HydrophobicContact CB-SD 4.45Å; L156-M303 WeakPolarHBondContact O-CE 3.35Å; I161-M303 VanDerWaalsContact CA-SD 3.59Å; I161-M303 HydrophobicContact CB-SD 4.01Å; I161-M303 HydrophobicContact CD1-CB 4.26Å; I161-M303 PolarHBondContact N-SD 3.19Å; Y164-M303 HydrophobicContact CD1-CB 3.67Å; Y164-M303 HydrophobicContact CD1-CG 4.02Å; Y164-M303 HydrophobicContact CD2-CB 4Å; Y164-M303 HydrophobicContact CD2-CG 3.6Å; Y164-M303 HydrophobicContact CE1-CB 3.88Å; Y164-M303 HydrophobicContact CE2-CB 4.22Å; Y164-M303 HydrophobicContact CE2-CG 4.19Å; Y164-M303 HydrophobicContact CG-CB 3.71Å; Y164-M303 HydrophobicContact CG-CG 3.5Å; Y164-M303 VanDerWaalsContact CG-CG 3.5Å; E299-M303 WeakPolarHBondContact O-CB 3.17Å; E299-M303 PolarHBondContact O-N 3.28Å; T300-M303 PolarHBondContact O-N 2.83Å; Q301-M303 VanDerWaalsContact C-N 3.31Å; Q301-M303 PolarHBondContact O-N 2.93Å; M303-D305 VanDerWaalsContact C-N 3.34Å; M303-F306 PolarHBondContact O-N 3.43Å; M303-C307 WeakPolarHBondContact O-CB 3.15Å; M303-C307 PolarHBondContact O-N 3.37Å; M303-C307 PolarHBondContact O-SG 3.08Å
304	L	98.9	Very high	98.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-63.2	-43.1	178.2	-75.9	171.3	0	0	0	111.4	L141 I143 V153 L156 L157 T300 Q301 E302 C307 A308	L141-L304 HydrophobicContact CB-CD1 3.65Å; L141-L304 HydrophobicContact CD1-CD1 3.92Å; L141-L304 HydrophobicContact CG-CD1 4.06Å; I143-L304 HydrophobicContact CD1-CD1 3.88Å; I143-L304 HydrophobicContact CD1-CD2 4.04Å; V153-L304 HydrophobicContact CG1-CD2 4.02Å; L156-L304 HydrophobicContact CB-CD2 4.1Å; L156-L304 HydrophobicContact CD1-CD2 4.28Å; L157-L304 HydrophobicContact CD1-CD1 4.15Å; L157-L304 HydrophobicContact CD2-CD2 4.2Å; T300-L304 WeakPolarHBondContact O-CG 3.44Å; T300-L304 PolarHBondContact O-N 3.25Å; T300-L304 VanDerWaalsContact O-N 3.07Å; Q301-L304 PolarHBondContact O-N 3.15Å; E302-L304 PolarHBondContact O-N 3.26Å; L304-C307 PolarHBondContact O-N 3.09Å; L304-A308 WeakPolarHBondContact O-CB 3.27Å; L304-A308 PolarHBondContact O-N 3.48Å
305	D	98.9	Very high	98.8	Very high	65 Å²	65	38.3 Å²	38.3	35%	0.348	21%	0.21	S	C	.	.	H	α-helix	trans	-65.3	-45.6	179	-66.5	-20.3	0	0	0	110.7	R144 Q301 E302 M303 C307 A308 E309	R144-D305 WeakPolarHBondContact CG-OD1 3.26Å; Q301-D305 PolarHBondContact NE2-OD1 3.49Å; Q301-D305 VanDerWaalsContact O-CG 3.32Å; Q301-D305 PolarHBondContact O-N 3.14Å; E302-D305 PolarHBondContact O-N 2.65Å; M303-D305 VanDerWaalsContact C-N 3.34Å; D305-C307 VanDerWaalsContact C-N 3.33Å; D305-C307 PolarHBondContact O-N 2.93Å; D305-A308 PolarHBondContact O-N 3.35Å; D305-E309 PolarHBondContact O-N 2.95Å
306	F	98.9	Very high	98.8	Very high	24 Å²	24	40.7 Å²	40.7	11%	0.105	22%	0.221	C	C	.	.	H	α-helix	trans	-56.7	-45.8	172.2	176	-96.8	0	0	0	111.6	Y164 L193 A196 M197 E302 M303 A308 E309 H310 I312	Y164-F306 HydrophobicContact CE2-CB 4.36Å; Y164-F306 AromaticContact CE2-CD1 3.86Å; Y164-F306 HydrophobicContact CE2-CD1 3.86Å; Y164-F306 HydrophobicContact CE2-CE1 4.42Å; Y164-F306 HydrophobicContact CE2-CG 4.14Å; L193-F306 HydrophobicContact CD2-CD1 4.45Å; L193-F306 HydrophobicContact CD2-CE1 4.32Å; A196-F306 HydrophobicContact CB-CE1 3.9Å; A196-F306 HydrophobicContact CB-CZ 3.77Å; M197-F306 HydrophobicContact CG-CZ 4.23Å; E302-F306 WeakPolarHBondContact O-CB 3.33Å; E302-F306 PolarHBondContact O-N 3.08Å; M303-F306 PolarHBondContact O-N 3.43Å; F306-A308 VanDerWaalsContact C-N 3.33Å; F306-A308 PolarHBondContact O-N 3.21Å; F306-E309 PolarHBondContact O-N 3.1Å; F306-H310 AromaticContact CD2-CD2 3.54Å; F306-H310 AromaticContact CD2-NE2 3.81Å; F306-H310 AromaticContact CE2-CD2 3.32Å; F306-H310 WeakPolarHBondContact CE2-CD2 3.29Å; F306-H310 AromaticContact CE2-NE2 3.34Å; F306-H310 VanDerWaalsContact CE2-NE2 3.34Å; F306-H310 WeakPolarHBondContact CE2-NE2 3.13Å; F306-H310 AromaticContact CZ-CD2 3.7Å; F306-H310 AromaticContact CZ-NE2 3.97Å; F306-H310 PolarHBondContact O-CD2 3.39Å; F306-H310 VanDerWaalsContact O-CD2 3.27Å; F306-H310 PolarHBondContact O-N 3.26Å; F306-H310 VanDerWaalsContact O-N 3.07Å; F306-I312 HydrophobicContact CD1-CD1 4.26Å; F306-I312 HydrophobicContact CE1-CD1 3.73Å
307	C	98.9	Very high	98.8	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-64.9	-37.9	178.7	-71.4	0	0	0	0	112	H145 L156 M303 L304 D305 G311 I312	H145-C307 PolarHBondContact NE2-O 3.43Å; L156-C307 HydrophobicContact CD1-CB 3.81Å; M303-C307 WeakPolarHBondContact O-CB 3.15Å; M303-C307 PolarHBondContact O-N 3.37Å; M303-C307 PolarHBondContact O-SG 3.08Å; L304-C307 PolarHBondContact O-N 3.09Å; D305-C307 VanDerWaalsContact C-N 3.33Å; D305-C307 PolarHBondContact O-N 2.93Å; C307-G311 CarbonylContact O-C 3.34Å; C307-G311 PolarHBondContact O-N 2.84Å; C307-I312 HydrophobicContact CB-CB 4.03Å; C307-I312 PolarHBondContact O-N 3.48Å
308	A	98.8	Very high	98.8	Very high	27 Å²	27	47.4 Å²	47.4	22%	0.223	25%	0.254	C	S	.	.	H	α-helix	trans	-67.4	-43.7	177.6	0	0	0	0	0	111.5	R144 H145 L304 D305 F306 H310 G311	R144-A308 HydrophobicContact CB-CB 3.73Å; H145-A308 PolarHBondContact CE1-N 3.29Å; H145-A308 VanDerWaalsContact CE1-N 3.3Å; H145-A308 PolarHBondContact NE2-N 3.27Å; L304-A308 WeakPolarHBondContact O-CB 3.27Å; L304-A308 PolarHBondContact O-N 3.48Å; D305-A308 PolarHBondContact O-N 3.35Å; F306-A308 VanDerWaalsContact C-N 3.33Å; F306-A308 PolarHBondContact O-N 3.21Å; A308-H310 VanDerWaalsContact C-N 3.3Å; A308-H310 PolarHBondContact O-N 3.33Å; A308-G311 PolarHBondContact O-N 3.19Å
309	E	98.7	Very high	98.8	Very high	160 Å²	160	44.3 Å²	44.3	75%	0.748	23%	0.233	S	C	*	.	H	α-helix	trans	-60.7	-39.3	177.5	-177.1	173.8	-166.4	0	0	112.2	D305 F306	D305-E309 PolarHBondContact O-N 2.95Å; F306-E309 PolarHBondContact O-N 3.1Å
310	H	98.6	Very high	98.8	Very high	98 Å²	98	46.7 Å²	46.7	45%	0.454	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	3.3	-178.6	-71.8	-79.7	0	0	0	114.4	F306 A308 I312	F306-H310 AromaticContact CD2-CD2 3.54Å; F306-H310 AromaticContact CD2-NE2 3.81Å; F306-H310 AromaticContact CE2-CD2 3.32Å; F306-H310 WeakPolarHBondContact CE2-CD2 3.29Å; F306-H310 AromaticContact CE2-NE2 3.34Å; F306-H310 VanDerWaalsContact CE2-NE2 3.34Å; F306-H310 WeakPolarHBondContact CE2-NE2 3.13Å; F306-H310 AromaticContact CZ-CD2 3.7Å; F306-H310 AromaticContact CZ-NE2 3.97Å; F306-H310 PolarHBondContact O-CD2 3.39Å; F306-H310 VanDerWaalsContact O-CD2 3.27Å; F306-H310 PolarHBondContact O-N 3.26Å; F306-H310 VanDerWaalsContact O-N 3.07Å; A308-H310 VanDerWaalsContact C-N 3.3Å; A308-H310 PolarHBondContact O-N 3.33Å; H310-I312 HydrophobicContact CB-CD1 3.77Å; H310-I312 HydrophobicContact CB-CG1 3.81Å; H310-I312 PolarHBondContact O-N 3.06Å
311	G	98.2	Very high	98.8	Very high	45 Å²	45	46.6 Å²	46.6	46%	0.464	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	63	26.7	-177.7	0	0	0	0	0	114.1	C307 A308	C307-G311 CarbonylContact O-C 3.34Å; C307-G311 PolarHBondContact O-N 2.84Å; A308-G311 PolarHBondContact O-N 3.19Å
312	I	98.8	Very high	98.7	Very high	17 Å²	17	48.8 Å²	48.8	9%	0.087	25%	0.253	C	S	.	.			trans	-83.5	126	-179.5	-57.1	169.7	0	0	0	109.3	H145 M189 K192 L193 A196 F306 C307 H310	H145-I312 PolarHBondContact NE2-O 2.95Å; M189-I312 HydrophobicContact CE-CG2 4.15Å; K192-I312 HydrophobicContact CB-CG2 4.35Å; L193-I312 HydrophobicContact CD2-CD1 4.23Å; L193-I312 HydrophobicContact CD2-CG2 4.31Å; A196-I312 HydrophobicContact CB-CD1 3.37Å; A196-I312 HydrophobicContact CB-CG1 4.46Å; F306-I312 HydrophobicContact CD1-CD1 4.26Å; F306-I312 HydrophobicContact CE1-CD1 3.73Å; C307-I312 HydrophobicContact CB-CB 4.03Å; C307-I312 PolarHBondContact O-N 3.48Å; H310-I312 HydrophobicContact CB-CD1 3.77Å; H310-I312 HydrophobicContact CB-CG1 3.81Å; H310-I312 PolarHBondContact O-N 3.06Å
313	V	98.9	Very high	98.7	Very high	25 Å²	25	48 Å²	48	15%	0.152	25%	0.249	C	C	.	.			trans	-136.8	165.4	169.1	-65.3	0	0	0	0	109.6	Q149 A152 V153	Q149-V313 HydrophobicContact CB-CG1 4.21Å; A152-V313 HydrophobicContact CB-CB 3.69Å; A152-V313 HydrophobicContact CB-CG1 4.21Å; A152-V313 HydrophobicContact CB-CG2 3.89Å; V153-V313 HydrophobicContact CG2-CG1 4.12Å
314	A	98.8	Very high	98.7	Very high	3 Å²	3	48.1 Å²	48.1	3%	0.025	25%	0.25	C	C	.	.			trans	-72.8	149.8	171.5	0	0	0	0	0	111	A152 P155 H188 M189 I316	A152-A314 WeakPolarHBondContact O-CB 3.39Å; A152-A314 PolarHBondContact O-N 3.01Å; P155-A314 HydrophobicContact CB-CB 3.78Å; P155-A314 HydrophobicContact CG-CB 3.77Å; H188-A314 WeakPolarHBondContact NE2-CA 3.45Å; M189-A314 HydrophobicContact SD-CB 3.96Å; A314-I316 HydrophobicContact CB-CG2 3.94Å
315	D	98.6	Very high	98.7	Very high	57 Å²	57	50.4 Å²	50.4	31%	0.305	26%	0.262	S	S	.	.			trans	-84.4	119.8	167.2	-48.4	-44.7	0	0	0	107.8	H188 K192 L217 K337 Y338 R339	H188-D315 IonicContact CD2-OD2 2.74Å; H188-D315 PolarHBondContact NE2-N 2.99Å; H188-D315 VanDerWaalsContact NE2-N 3.2Å; K192-D315 WeakPolarHBondContact CE-OD1 3.44Å; K192-D315 WeakPolarHBondContact CE-OD2 3.42Å; K192-D315 IonicContact NZ-OD1 2.82Å; K192-D315 PolarHBondContact NZ-OD1 2.77Å; K192-D315 IonicContact NZ-OD2 3.72Å; K192-D315 PolarHBondContact NZ-OD2 2.97Å; L217-D315 WeakPolarHBondContact CD2-OD2 3.42Å; D315-K337 CarbonylContact O-C 3.55Å; D315-Y338 HydrophobicContact CB-CD2 3.95Å; D315-Y338 HydrophobicContact CB-CE2 4.48Å; D315-Y338 PolarHBondContact O-N 3.05Å; D315-R339 PolarHBondContact O-N 2.92Å
316	I	98.8	Very high	98.7	Very high	51 Å²	51	52.7 Å²	52.7	26%	0.262	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	155.1	-168.3	66.3	160.1	0	0	0	113	A151 A152 P155 A314 R339 V341	A151-I316 HydrophobicContact CB-CD1 3.68Å; A152-I316 HydrophobicContact CB-CD1 4.24Å; A152-I316 HydrophobicContact CB-CG1 4.3Å; P155-I316 HydrophobicContact CG-CG2 3.92Å; A314-I316 HydrophobicContact CB-CG2 3.94Å; I316-R339 CarbonylContact C-O 3.41Å; I316-R339 WeakPolarHBondContact CA-O 3.46Å; I316-R339 HydrophobicContact CG2-CB 4.39Å; I316-V341 HydrophobicContact CB-CG2 3.88Å; I316-V341 HydrophobicContact CD1-CB 4.07Å; I316-V341 HydrophobicContact CD1-CG2 4.01Å; I316-V341 HydrophobicContact CG2-CG2 3.6Å
317	E	98.7	Very high	98.6	Very high	69 Å²	69	51.7 Å²	51.7	32%	0.322	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	116.8	162.4	-171.8	177.3	143.7	0	0	108.4	R330 V336 R339 F340 V341	E317-R330 VanDerWaalsContact CD-NH2 3.3Å; E317-R330 IonicContact OE1-CZ 3.25Å; E317-R330 VanDerWaalsContact OE1-CZ 3.3Å; E317-R330 IonicContact OE1-NH1 2.71Å; E317-R330 PolarHBondContact OE1-NH1 2.87Å; E317-R330 IonicContact OE1-NH2 2.91Å; E317-R330 PolarHBondContact OE1-NH2 3.42Å; E317-R330 IonicContact OE2-CZ 3.69Å; E317-R330 IonicContact OE2-NH1 3.72Å; E317-R330 IonicContact OE2-NH2 2.76Å; E317-R330 PolarHBondContact OE2-NH2 2.97Å; E317-V336 HydrophobicContact CB-CG2 4.34Å; E317-R339 PolarHBondContact N-O 3.4Å; E317-F340 HydrophobicContact CB-CD1 3.87Å; E317-F340 HydrophobicContact CB-CE1 3.99Å; E317-F340 HydrophobicContact CG-CD1 4.19Å; E317-F340 HydrophobicContact CG-CE1 4.01Å; E317-F340 VanDerWaalsContact O-CA 3.32Å; E317-F340 WeakPolarHBondContact O-CA 3.42Å; E317-V341 PolarHBondContact O-N 2.84Å
318	M	98.8	Very high	98.6	Very high	91 Å²	91	51.9 Å²	51.9	45%	0.448	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	136.2	-180	-170.4	171.1	-71	0	0	110.6	Y36 A151 V341 D343	Y36-M318 HydrophobicContact CD1-CE 4.08Å; Y36-M318 HydrophobicContact CE1-CE 3.6Å; Y36-M318 HydrophobicContact CE1-SD 4.25Å; A151-M318 HydrophobicContact CB-CE 3.52Å; M318-V341 CarbonylContact C-O 3.54Å; M318-V341 VanDerWaalsContact CA-O 3.3Å; M318-V341 WeakPolarHBondContact CA-O 3.26Å; M318-D343 HydrophobicContact CG-CB 4.22Å; M318-D343 HydrophobicContact SD-CB 4.11Å
319	I	98.8	Very high	98.5	Very high	11 Å²	11	54.9 Å²	54.9	6%	0.056	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	160	178.7	62.9	170.8	0	0	0	111	V39 Q323 I324 A327 F340 V341 I342 D343	V39-I319 HydrophobicContact CG2-CD1 4.21Å; I319-Q323 HydrophobicContact CB-CB 4.24Å; I319-I324 HydrophobicContact CD1-CG1 4.38Å; I319-A327 HydrophobicContact CD1-CB 3.58Å; I319-F340 HydrophobicContact CD1-CB 4.06Å; I319-F340 HydrophobicContact CD1-CG 4.41Å; I319-F340 HydrophobicContact CG1-CB 4.47Å; I319-F340 HydrophobicContact CG2-CD1 3.58Å; I319-F340 HydrophobicContact CG2-CE1 4.06Å; I319-F340 HydrophobicContact CG2-CG 4.45Å; I319-V341 PolarHBondContact N-O 2.85Å; I319-I342 HydrophobicContact CD1-CG1 4.14Å; I319-I342 HydrophobicContact CG1-CG1 4.08Å; I319-I342 WeakPolarHBondContact O-CA 3.44Å; I319-D343 PolarHBondContact O-N 2.86Å
320	R	98.8	Very high	98.4	Very high	93 Å²	93	50.1 Å²	50.1	35%	0.351	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	159.3	169.1	-60.2	-178.2	55.9	-125.4	-7.8	110.8	D322 Q323 T346 D349	R320-D322 WeakPolarHBondContact CB-OD1 3.45Å; R320-D322 IonicContact CZ-OD1 2.69Å; R320-D322 IonicContact CZ-OD2 3.5Å; R320-D322 IonicContact NE-OD1 3.3Å; R320-D322 VanDerWaalsContact NH1-CG 3.3Å; R320-D322 IonicContact NH1-OD1 3.12Å; R320-D322 PolarHBondContact NH1-OD1 3.15Å; R320-D322 VanDerWaalsContact NH1-OD1 3.12Å; R320-D322 IonicContact NH1-OD2 2.69Å; R320-D322 PolarHBondContact NH1-OD2 2.87Å; R320-D322 IonicContact NH2-OD1 2.67Å; R320-D322 IonicContact NH2-OD2 3.06Å; R320-D322 PolarHBondContact NH2-OD2 2.76Å; R320-D322 VanDerWaalsContact NH2-OD2 3.07Å; R320-D322 PolarHBondContact O-N 3.19Å; R320-Q323 HydrophobicContact CB-CG 4.13Å; R320-Q323 WeakPolarHBondContact O-CB 3.46Å; R320-Q323 PolarHBondContact O-N 3.42Å; R320-T346 WeakPolarHBondContact CA-OG1 3.24Å; R320-T346 HydrophobicContact CB-CG2 4.26Å; R320-T346 HydrophobicContact CG-CG2 3.94Å; R320-D349 IonicContact CZ-OD2 2.77Å; R320-D349 IonicContact NE-OD2 3.94Å; R320-D349 IonicContact NH2-OD2 3.8Å
321	A	98.7	Very high	98.2	Very high	6 Å²	6	46 Å²	46	5%	0.05	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-63.7	-25	179.3	0	0	0	0	0	113.4	V6 Q323 I324 I342 T346 L347	V6-A321 HydrophobicContact CG2-CB 4.11Å; A321-Q323 VanDerWaalsContact C-N 3.3Å; A321-I324 VanDerWaalsContact O-CD1 3.25Å; A321-I324 WeakPolarHBondContact O-CD1 3.49Å; A321-I324 VanDerWaalsContact O-CG1 3.3Å; A321-I324 WeakPolarHBondContact O-CG1 3.49Å; A321-I342 HydrophobicContact CB-CG2 4.03Å; A321-T346 PolarHBondContact N-OG1 2.91Å; A321-L347 HydrophobicContact CB-CD2 3.59Å; A321-L347 HydrophobicContact CB-CG 3.94Å
322	D	98.1	Very high	97.9	Very high	85 Å²	85	47.7 Å²	47.7	46%	0.455	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-82.4	-2.3	175.6	63.3	-5.7	0	0	0	113.9	R320	R320-D322 WeakPolarHBondContact CB-OD1 3.45Å; R320-D322 IonicContact CZ-OD1 2.69Å; R320-D322 IonicContact CZ-OD2 3.5Å; R320-D322 IonicContact NE-OD1 3.3Å; R320-D322 VanDerWaalsContact NH1-CG 3.3Å; R320-D322 IonicContact NH1-OD1 3.12Å; R320-D322 PolarHBondContact NH1-OD1 3.15Å; R320-D322 VanDerWaalsContact NH1-OD1 3.12Å; R320-D322 IonicContact NH1-OD2 2.69Å; R320-D322 PolarHBondContact NH1-OD2 2.87Å; R320-D322 IonicContact NH2-OD1 2.67Å; R320-D322 IonicContact NH2-OD2 3.06Å; R320-D322 PolarHBondContact NH2-OD2 2.76Å; R320-D322 VanDerWaalsContact NH2-OD2 3.07Å; R320-D322 PolarHBondContact O-N 3.19Å
323	Q	98.6	Very high	97.5	Very high	82 Å²	82	55.3 Å²	55.3	38%	0.383	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-103.9	6.5	-178.6	-61.3	179.1	-65	0	0	113.9	I319 R320 A321 N325 E326 A327	I319-Q323 HydrophobicContact CB-CB 4.24Å; R320-Q323 HydrophobicContact CB-CG 4.13Å; R320-Q323 WeakPolarHBondContact O-CB 3.46Å; R320-Q323 PolarHBondContact O-N 3.42Å; A321-Q323 VanDerWaalsContact C-N 3.3Å; Q323-N325 VanDerWaalsContact C-N 3.32Å; Q323-N325 PolarHBondContact O-N 3.03Å; Q323-E326 WeakPolarHBondContact CA-OE2 3.25Å; Q323-E326 PolarHBondContact O-N 2.75Å; Q323-A327 WeakPolarHBondContact O-CB 3.35Å; Q323-A327 PolarHBondContact O-N 2.8Å
324	I	98.6	Very high	97.1	Very high	1 Å²	1	56 Å²	56	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-67.2	-35.1	-173	-55.5	167.9	0	0	0	111.3	V6 L15 Y129 I319 A321 E326 A327 Y328 I342	V6-I324 HydrophobicContact CB-CD1 4.19Å; V6-I324 HydrophobicContact CG1-CD1 3.9Å; L15-I324 HydrophobicContact CD1-CB 3.85Å; L15-I324 HydrophobicContact CD1-CD1 4.47Å; L15-I324 HydrophobicContact CD1-CG2 3.36Å; Y129-I324 HydrophobicContact CD2-CD1 3.82Å; Y129-I324 HydrophobicContact CE2-CD1 4.04Å; Y129-I324 HydrophobicContact CE2-CG2 3.82Å; Y129-I324 HydrophobicContact CG-CD1 4.26Å; I319-I324 HydrophobicContact CD1-CG1 4.38Å; A321-I324 VanDerWaalsContact O-CD1 3.25Å; A321-I324 WeakPolarHBondContact O-CD1 3.49Å; A321-I324 VanDerWaalsContact O-CG1 3.3Å; A321-I324 WeakPolarHBondContact O-CG1 3.49Å; I324-E326 PolarHBondContact O-N 2.71Å; I324-A327 WeakPolarHBondContact O-CB 3.5Å; I324-A327 PolarHBondContact O-N 2.95Å; I324-Y328 HydrophobicContact CG2-CD2 4.45Å; I324-Y328 HydrophobicContact CG2-CE1 4.07Å; I324-Y328 HydrophobicContact CG2-CE2 4.01Å; I324-Y328 PolarHBondContact O-N 2.81Å; I324-I342 HydrophobicContact CD1-CD1 3.44Å; I324-I342 VanDerWaalsContact CD1-CD1 3.44Å; I324-I342 HydrophobicContact CD1-CG1 4.07Å; I324-I342 HydrophobicContact CG1-CD1 3.79Å; I324-I342 HydrophobicContact CG1-CG1 3.96Å
325	N	98.4	Very high	96.9	Very high	48 Å²	48	59.8 Å²	59.8	26%	0.257	29%	0.291	S	S	.	.	H	α-helix	trans	-62.4	-45.3	178.2	-68.2	-58	0	0	0	111.2	L15 Q323 A327 Y328 E329	L15-N325 WeakPolarHBondContact CB-OD1 3.44Å; L15-N325 PolarHBondContact N-OD1 2.88Å; L15-N325 PolarHBondContact O-ND2 3.39Å; Q323-N325 VanDerWaalsContact C-N 3.32Å; Q323-N325 PolarHBondContact O-N 3.03Å; N325-A327 VanDerWaalsContact C-N 3.34Å; N325-Y328 PolarHBondContact O-N 3.04Å; N325-E329 PolarHBondContact O-N 3.36Å
326	E	98.4	Very high	96.8	Very high	114 Å²	114	58.1 Å²	58.1	53%	0.533	28%	0.282	S	S	.	.	H	α-helix	trans	-65.9	-37.9	175.6	-65.1	78.8	-177.7	0	0	111.6	Q323 I324 Y328 E329 R330	Q323-E326 WeakPolarHBondContact CA-OE2 3.25Å; Q323-E326 PolarHBondContact O-N 2.75Å; I324-E326 PolarHBondContact O-N 2.71Å; E326-Y328 VanDerWaalsContact C-N 3.34Å; E326-Y328 PolarHBondContact O-N 3.41Å; E326-E329 PolarHBondContact O-N 3.14Å; E326-R330 WeakPolarHBondContact O-CG 3.36Å; E326-R330 PolarHBondContact O-N 2.84Å
327	A	98.5	Very high	96.6	Very high	2 Å²	2	63.1 Å²	63.1	2%	0.017	30%	0.302	C	S	.	.	H	α-helix	trans	-60.8	-42.1	175.5	0	0	0	0	0	111.7	I319 Q323 I324 N325 E329 R330 M331 F340	I319-A327 HydrophobicContact CD1-CB 3.58Å; Q323-A327 WeakPolarHBondContact O-CB 3.35Å; Q323-A327 PolarHBondContact O-N 2.8Å; I324-A327 WeakPolarHBondContact O-CB 3.5Å; I324-A327 PolarHBondContact O-N 2.95Å; N325-A327 VanDerWaalsContact C-N 3.34Å; A327-E329 PolarHBondContact O-N 2.92Å; A327-R330 PolarHBondContact O-N 2.9Å; A327-M331 VanDerWaalsContact O-CG 3.29Å; A327-M331 WeakPolarHBondContact O-CG 3.06Å; A327-M331 PolarHBondContact O-N 3.26Å; A327-F340 HydrophobicContact CB-CD1 4.38Å; A327-F340 HydrophobicContact CB-CD2 3.68Å; A327-F340 HydrophobicContact CB-CE2 3.88Å; A327-F340 HydrophobicContact CB-CG 3.95Å; A327-F340 HydrophobicContact CB-CZ 4.33Å; A327-F340 WeakPolarHBondContact O-CE2 3.37Å
328	Y	97.2	Very high	96.5	Very high	4 Å²	4	60.8 Å²	60.8	2%	0.016	29%	0.291	C	S	.	.	H	α-helix	trans	-59.4	-44.6	173.6	-72.8	-22.1	0	0	0	112.9	L15 V39 D43 L44 V47 Y129 I324 N325 E326 R330 M331 L332	L15-Y328 HydrophobicContact CD1-CD2 4.34Å; L15-Y328 HydrophobicContact CD1-CE2 3.46Å; L15-Y328 VanDerWaalsContact CD1-CE2 3.46Å; L15-Y328 HydrophobicContact CG-CE2 4.21Å; V39-Y328 HydrophobicContact CG1-CD1 3.91Å; V39-Y328 HydrophobicContact CG1-CE1 3.48Å; V39-Y328 VanDerWaalsContact CG1-CE1 3.48Å; D43-Y328 HydrophobicContact CB-CE1 4.29Å; D43-Y328 VanDerWaalsContact CB-OH 3.28Å; D43-Y328 WeakPolarHBondContact CB-OH 3.39Å; L44-Y328 HydrophobicContact CB-CD1 3.95Å; L44-Y328 HydrophobicContact CB-CE1 3.99Å; L44-Y328 HydrophobicContact CB-CG 4.31Å; L44-Y328 HydrophobicContact CD1-CD1 4.05Å; L44-Y328 HydrophobicContact CD1-CG 3.97Å; L44-Y328 HydrophobicContact CG-CD1 4.34Å; L44-Y328 HydrophobicContact CG-CG 4.24Å; V47-Y328 HydrophobicContact CG2-CE2 3.86Å; Y129-Y328 WeakPolarHBondContact CE2-OH 3.28Å; Y129-Y328 PolarHBondContact OH-OH 3.35Å; I324-Y328 HydrophobicContact CG2-CD2 4.45Å; I324-Y328 HydrophobicContact CG2-CE1 4.07Å; I324-Y328 HydrophobicContact CG2-CE2 4.01Å; I324-Y328 PolarHBondContact O-N 2.81Å; N325-Y328 PolarHBondContact O-N 3.04Å; E326-Y328 VanDerWaalsContact C-N 3.34Å; E326-Y328 PolarHBondContact O-N 3.41Å; Y328-R330 VanDerWaalsContact C-N 3.25Å; Y328-R330 PolarHBondContact O-N 3.42Å; Y328-M331 HydrophobicContact CD1-SD 4.03Å; Y328-M331 PolarHBondContact O-N 2.67Å; Y328-L332 WeakPolarHBondContact O-CG 3.48Å; Y328-L332 PolarHBondContact O-N 2.69Å; Y328-L332 VanDerWaalsContact O-N 3.08Å
329	E	96.6	Very high	96.5	Very high	91 Å²	91	57.1 Å²	57.1	43%	0.425	27%	0.272	S	S	.	.	H	α-helix	trans	-64.3	-30.9	177.2	-63.8	-53.5	139.3	0	0	112.7	R48 N325 E326 A327 R333	R48-E329 IonicContact CZ-OE1 3.07Å; R48-E329 IonicContact NH2-OE1 3.79Å; R48-E329 PolarHBondContact NH2-OE1 2.86Å; N325-E329 PolarHBondContact O-N 3.36Å; E326-E329 PolarHBondContact O-N 3.14Å; A327-E329 PolarHBondContact O-N 2.92Å; E329-R333 PolarHBondContact O-NE 2.9Å
330	R	97.7	Very high	96.5	Very high	60 Å²	60	56.7 Å²	56.7	23%	0.226	27%	0.27	C	S	.	.	H	α-helix	trans	-75.1	-40.4	173.3	-71.1	174.7	63.5	-155.1	-9.8	112	E317 E326 A327 Y328 L332 R333 G334 D335 F340	E317-R330 VanDerWaalsContact CD-NH2 3.3Å; E317-R330 IonicContact OE1-CZ 3.25Å; E317-R330 VanDerWaalsContact OE1-CZ 3.3Å; E317-R330 IonicContact OE1-NH1 2.71Å; E317-R330 PolarHBondContact OE1-NH1 2.87Å; E317-R330 IonicContact OE1-NH2 2.91Å; E317-R330 PolarHBondContact OE1-NH2 3.42Å; E317-R330 IonicContact OE2-CZ 3.69Å; E317-R330 IonicContact OE2-NH1 3.72Å; E317-R330 IonicContact OE2-NH2 2.76Å; E317-R330 PolarHBondContact OE2-NH2 2.97Å; E326-R330 WeakPolarHBondContact O-CG 3.36Å; E326-R330 PolarHBondContact O-N 2.84Å; A327-R330 PolarHBondContact O-N 2.9Å; Y328-R330 VanDerWaalsContact C-N 3.25Å; Y328-R330 PolarHBondContact O-N 3.42Å; R330-L332 PolarHBondContact O-N 3.12Å; R330-R333 CarbonylContact O-C 3.57Å; R330-R333 PolarHBondContact O-N 3.21Å; R330-R333 VanDerWaalsContact O-N 3.1Å; R330-G334 PolarHBondContact O-N 3.36Å; R330-G334 VanDerWaalsContact O-N 3.14Å; R330-D335 HydrophobicContact CB-CB 4.18Å; R330-D335 PolarHBondContact NE-O 3.2Å; R330-D335 IonicContact NE-OD2 2.68Å; R330-D335 PolarHBondContact NE-OD2 3.26Å; R330-D335 PolarHBondContact NH2-O 3.5Å; R330-D335 VanDerWaalsContact NH2-O 3.1Å; R330-D335 PolarHBondContact O-N 2.77Å; R330-F340 HydrophobicContact CB-CE2 4.03Å; R330-F340 HydrophobicContact CB-CZ 3.96Å
331	M	94.8	Very high	96.5	Very high	11 Å²	11	52.2 Å²	52.2	5%	0.054	25%	0.253	C	S	.	.	H	α-helix	trans	-58.8	-44.1	176.7	-76.2	168.5	64.1	0	0	112.4	V39 H41 A327 Y328 R333 G334 V336 F340	V39-M331 HydrophobicContact CB-SD 4.21Å; V39-M331 HydrophobicContact CG1-CE 4.02Å; V39-M331 HydrophobicContact CG1-SD 3.39Å; V39-M331 WeakPolarHBondContact CG1-SD 3.34Å; H41-M331 WeakPolarHBondContact ND1-CE 3.34Å; A327-M331 VanDerWaalsContact O-CG 3.29Å; A327-M331 WeakPolarHBondContact O-CG 3.06Å; A327-M331 PolarHBondContact O-N 3.26Å; Y328-M331 HydrophobicContact CD1-SD 4.03Å; Y328-M331 PolarHBondContact O-N 2.67Å; M331-R333 PolarHBondContact O-N 3.07Å; M331-G334 PolarHBondContact O-N 3.09Å; M331-V336 HydrophobicContact CG-CG1 4.5Å; M331-F340 HydrophobicContact CG-CD2 3.69Å; M331-F340 HydrophobicContact CG-CE2 3.78Å; M331-F340 HydrophobicContact SD-CD2 3.93Å
332	L	90.9	Very high	96.5	Very high	81 Å²	81	52 Å²	52	42%	0.424	25%	0.251	S	S	.	.	H	α-helix	trans	-60.4	-28.7	177.1	-71.6	170.3	0	0	0	113.2	L44 Y328 R330	L44-L332 HydrophobicContact CD1-CD1 4.04Å; L44-L332 HydrophobicContact CD1-CD2 3.9Å; L44-L332 HydrophobicContact CD1-CG 3.72Å; L44-L332 HydrophobicContact CD2-CD2 4.18Å; Y328-L332 WeakPolarHBondContact O-CG 3.48Å; Y328-L332 PolarHBondContact O-N 2.69Å; Y328-L332 VanDerWaalsContact O-N 3.08Å; R330-L332 PolarHBondContact O-N 3.12Å
333	R	91.8	Very high	96.5	Very high	176 Å²	176	49.7 Å²	49.7	66%	0.664	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-1.5	176.7	-64.6	179.4	-69.4	160.4	3	113	E329 R330 M331 D335	E329-R333 PolarHBondContact O-NE 2.9Å; R330-R333 CarbonylContact O-C 3.57Å; R330-R333 PolarHBondContact O-N 3.21Å; R330-R333 VanDerWaalsContact O-N 3.1Å; M331-R333 PolarHBondContact O-N 3.07Å; R333-D335 HydrophobicContact CB-CB 4.39Å; R333-D335 PolarHBondContact O-N 2.78Å
334	G	90.1	Very high	96.6	Very high	40 Å²	40	46 Å²	46	41%	0.412	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.5	26.2	-173.4	0	0	0	0	0	113.5	R330 M331 V336	R330-G334 PolarHBondContact O-N 3.36Å; R330-G334 VanDerWaalsContact O-N 3.14Å; M331-G334 PolarHBondContact O-N 3.09Å; G334-V336 VanDerWaalsContact C-N 3.34Å; G334-V336 PolarHBondContact O-N 2.77Å
335	D	94.7	Very high	96.5	Very high	83 Å²	83	55.3 Å²	55.3	44%	0.444	26%	0.256	S	S	.	.			trans	-93.5	57	-175.5	-177.2	41.7	0	0	0	112.2	R330 R333	R330-D335 HydrophobicContact CB-CB 4.18Å; R330-D335 PolarHBondContact NE-O 3.2Å; R330-D335 IonicContact NE-OD2 2.68Å; R330-D335 PolarHBondContact NE-OD2 3.26Å; R330-D335 PolarHBondContact NH2-O 3.5Å; R330-D335 VanDerWaalsContact NH2-O 3.1Å; R330-D335 PolarHBondContact O-N 2.77Å; R333-D335 HydrophobicContact CB-CB 4.39Å; R333-D335 PolarHBondContact O-N 2.78Å
336	V	96.1	Very high	96.5	Very high	21 Å²	21	54 Å²	54	13%	0.127	25%	0.25	C	S	.	.	S	Bend	trans	-154.3	146.3	175.2	61.9	0	0	0	0	109.3	E317 M331 G334 F340	E317-V336 HydrophobicContact CB-CG2 4.34Å; M331-V336 HydrophobicContact CG-CG1 4.5Å; G334-V336 VanDerWaalsContact C-N 3.34Å; G334-V336 PolarHBondContact O-N 2.77Å; V336-F340 HydrophobicContact CB-CD2 4.24Å; V336-F340 HydrophobicContact CB-CE1 4.38Å; V336-F340 HydrophobicContact CB-CE2 3.66Å; V336-F340 HydrophobicContact CB-CZ 3.73Å; V336-F340 HydrophobicContact CG1-CE2 4.17Å; V336-F340 HydrophobicContact CG2-CD1 4.02Å; V336-F340 HydrophobicContact CG2-CD2 3.92Å; V336-F340 HydrophobicContact CG2-CE1 3.84Å; V336-F340 HydrophobicContact CG2-CE2 3.74Å; V336-F340 HydrophobicContact CG2-CG 4.06Å; V336-F340 HydrophobicContact CG2-CZ 3.69Å
337	K	95	Very high	96.5	Very high	156 Å²	156	49.7 Å²	49.7	68%	0.678	23%	0.231	S	C	*	.	S	Bend	trans	-123.4	84.3	177.9	-65.8	-178.1	-177.1	177.3	0	110.5	D315	D315-K337 CarbonylContact O-C 3.55Å
338	Y	96.2	Very high	96.4	Very high	21 Å²	21	53.9 Å²	53.9	8%	0.082	26%	0.256	C	S	.	.	S	Bend	cis	-128.3	-2.3	-3.8	-62.4	-81.2	0	0	0	112.8	I183 G185 H188 A213 L217 D315	I183-Y338 HydrophobicContact CG2-CD1 4.48Å; I183-Y338 HydrophobicContact CG2-CE1 3.77Å; G185-Y338 WeakPolarHBondContact CA-O 3.39Å; H188-Y338 HydrophobicContact CB-CD1 4.27Å; H188-Y338 HydrophobicContact CB-CD2 3.59Å; H188-Y338 HydrophobicContact CB-CE2 4.12Å; H188-Y338 HydrophobicContact CB-CG 3.68Å; H188-Y338 AromaticContact CD2-CD2 3.62Å; H188-Y338 AromaticContact CG-CD2 3.66Å; H188-Y338 AromaticContact CG-CG 3.77Å; A213-Y338 VanDerWaalsContact CB-OH 3.25Å; A213-Y338 WeakPolarHBondContact CB-OH 3.42Å; A213-Y338 PolarHBondContact O-OH 3.37Å; L217-Y338 HydrophobicContact CD1-CE1 4.43Å; L217-Y338 HydrophobicContact CD1-CE2 3.74Å; L217-Y338 WeakPolarHBondContact CD1-OH 3.42Å; L217-Y338 HydrophobicContact CD2-CD2 4.24Å; L217-Y338 HydrophobicContact CD2-CE2 3.71Å; L217-Y338 HydrophobicContact CG-CE2 3.98Å; D315-Y338 HydrophobicContact CB-CD2 3.95Å; D315-Y338 HydrophobicContact CB-CE2 4.48Å; D315-Y338 PolarHBondContact O-N 3.05Å
339	R	98.5	Very high	95.8	Very high	14 Å²	14	61.1 Å²	61.1	5%	0.053	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	140.3	177.2	-80.9	-63.7	-159.6	122.9	5.3	111.2	V39 C40 E63 P155 D315 I316 E317	V39-R339 VanDerWaalsContact C-NH1 3.34Å; V39-R339 PolarHBondContact O-NH1 3.4Å; C40-R339 VanDerWaalsContact CA-NH1 3.26Å; E63-R339 IonicContact OE1-CZ 3.77Å; E63-R339 IonicContact OE1-NH1 3.36Å; E63-R339 PolarHBondContact OE1-NH1 2.91Å; E63-R339 IonicContact OE1-NH2 2.77Å; E63-R339 PolarHBondContact OE1-NH2 2.96Å; E63-R339 IonicContact OE2-CZ 3.33Å; E63-R339 IonicContact OE2-NH1 3.79Å; E63-R339 PolarHBondContact OE2-NH1 2.81Å; E63-R339 IonicContact OE2-NH2 3.24Å; P155-R339 HydrophobicContact CB-CB 4.26Å; P155-R339 HydrophobicContact CB-CG 3.94Å; P155-R339 HydrophobicContact CG-CB 3.93Å; P155-R339 HydrophobicContact CG-CG 4.19Å; D315-R339 PolarHBondContact O-N 2.92Å; I316-R339 CarbonylContact C-O 3.41Å; I316-R339 WeakPolarHBondContact CA-O 3.46Å; I316-R339 HydrophobicContact CG2-CB 4.39Å; E317-R339 PolarHBondContact N-O 3.4Å
340	F	98.8	Very high	95.8	Very high	1 Å²	1	59.7 Å²	59.7	0%	0.004	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	145.8	164.4	-67.8	-68.1	0	0	0	110.2	V39 E317 I319 A327 R330 M331 V336	V39-F340 HydrophobicContact CB-CB 3.92Å; V39-F340 HydrophobicContact CG2-CB 3.82Å; V39-F340 PolarHBondContact N-O 2.76Å; E317-F340 HydrophobicContact CB-CD1 3.87Å; E317-F340 HydrophobicContact CB-CE1 3.99Å; E317-F340 HydrophobicContact CG-CD1 4.19Å; E317-F340 HydrophobicContact CG-CE1 4.01Å; E317-F340 VanDerWaalsContact O-CA 3.32Å; E317-F340 WeakPolarHBondContact O-CA 3.42Å; I319-F340 HydrophobicContact CD1-CB 4.06Å; I319-F340 HydrophobicContact CD1-CG 4.41Å; I319-F340 HydrophobicContact CG1-CB 4.47Å; I319-F340 HydrophobicContact CG2-CD1 3.58Å; I319-F340 HydrophobicContact CG2-CE1 4.06Å; I319-F340 HydrophobicContact CG2-CG 4.45Å; A327-F340 HydrophobicContact CB-CD1 4.38Å; A327-F340 HydrophobicContact CB-CD2 3.68Å; A327-F340 HydrophobicContact CB-CE2 3.88Å; A327-F340 HydrophobicContact CB-CG 3.95Å; A327-F340 HydrophobicContact CB-CZ 4.33Å; A327-F340 WeakPolarHBondContact O-CE2 3.37Å; R330-F340 HydrophobicContact CB-CE2 4.03Å; R330-F340 HydrophobicContact CB-CZ 3.96Å; M331-F340 HydrophobicContact CG-CD2 3.69Å; M331-F340 HydrophobicContact CG-CE2 3.78Å; M331-F340 HydrophobicContact SD-CD2 3.93Å; V336-F340 HydrophobicContact CB-CD2 4.24Å; V336-F340 HydrophobicContact CB-CE1 4.38Å; V336-F340 HydrophobicContact CB-CE2 3.66Å; V336-F340 HydrophobicContact CB-CZ 3.73Å; V336-F340 HydrophobicContact CG1-CE2 4.17Å; V336-F340 HydrophobicContact CG2-CD1 4.02Å; V336-F340 HydrophobicContact CG2-CD2 3.92Å; V336-F340 HydrophobicContact CG2-CE1 3.84Å; V336-F340 HydrophobicContact CG2-CE2 3.74Å; V336-F340 HydrophobicContact CG2-CG 4.06Å; V336-F340 HydrophobicContact CG2-CZ 3.69Å
341	V	98.9	Very high	95.7	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	125.6	172.6	176.4	0	0	0	0	108.6	Y36 A151 A154 P155 I316 E317 M318 I319	Y36-V341 HydrophobicContact CD1-CG1 4.29Å; Y36-V341 HydrophobicContact CG-CG1 4.25Å; A151-V341 HydrophobicContact CB-CG1 4.25Å; A154-V341 HydrophobicContact CB-CG1 4.3Å; P155-V341 HydrophobicContact CG-CG2 3.74Å; I316-V341 HydrophobicContact CB-CG2 3.88Å; I316-V341 HydrophobicContact CD1-CB 4.07Å; I316-V341 HydrophobicContact CD1-CG2 4.01Å; I316-V341 HydrophobicContact CG2-CG2 3.6Å; E317-V341 PolarHBondContact O-N 2.84Å; M318-V341 CarbonylContact C-O 3.54Å; M318-V341 VanDerWaalsContact CA-O 3.3Å; M318-V341 WeakPolarHBondContact CA-O 3.26Å; I319-V341 PolarHBondContact N-O 2.85Å
342	I	98.9	Very high	95.7	Very high	2 Å²	2	62.3 Å²	62.3	1%	0.01	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	132.2	176.9	-59.9	155.2	0	0	0	108.5	Y36 C37 V39 Y129 I319 A321 I324 N344	Y36-I342 VanDerWaalsContact CA-O 3.26Å; Y36-I342 WeakPolarHBondContact CA-O 3.29Å; C37-I342 PolarHBondContact N-O 2.94Å; C37-I342 PolarHBondContact O-N 3.48Å; V39-I342 HydrophobicContact CG2-CD1 3.9Å; V39-I342 HydrophobicContact CG2-CG1 3.86Å; Y129-I342 HydrophobicContact CD1-CD1 3.35Å; Y129-I342 HydrophobicContact CD2-CD1 4.31Å; Y129-I342 HydrophobicContact CE1-CD1 3.27Å; Y129-I342 HydrophobicContact CE2-CD1 4.24Å; Y129-I342 HydrophobicContact CG-CD1 3.92Å; I319-I342 HydrophobicContact CD1-CG1 4.14Å; I319-I342 HydrophobicContact CG1-CG1 4.08Å; I319-I342 WeakPolarHBondContact O-CA 3.44Å; A321-I342 HydrophobicContact CB-CG2 4.03Å; I324-I342 HydrophobicContact CD1-CD1 3.44Å; I324-I342 VanDerWaalsContact CD1-CD1 3.44Å; I324-I342 HydrophobicContact CD1-CG1 4.07Å; I324-I342 HydrophobicContact CG1-CD1 3.79Å; I324-I342 HydrophobicContact CG1-CG1 3.96Å; I342-N344 PolarHBondContact O-N 2.92Å; I342-N344 PolarHBondContact O-OD1 3.22Å
343	D	98.8	Very high	96	Very high	36 Å²	36	61.2 Å²	61.2	19%	0.193	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	100.8	159.3	-174.8	-18.6	0	0	0	108.7	Y36 M318 I319 R345 T346	Y36-D343 HydrophobicContact CD1-CB 4.4Å; Y36-D343 HydrophobicContact CE1-CB 4.26Å; M318-D343 HydrophobicContact CG-CB 4.22Å; M318-D343 HydrophobicContact SD-CB 4.11Å; I319-D343 PolarHBondContact O-N 2.86Å; D343-R345 PolarHBondContact O-N 3.12Å; D343-R345 VanDerWaalsContact O-N 3.14Å; D343-R345 VanDerWaalsContact OD1-CB 3.31Å; D343-R345 WeakPolarHBondContact OD1-CB 3.33Å; D343-R345 PolarHBondContact OD1-N 3.18Å; D343-T346 HydrophobicContact CB-CG2 4.07Å; D343-T346 WeakPolarHBondContact O-CB 3.49Å; D343-T346 WeakPolarHBondContact O-CG2 3.37Å; D343-T346 PolarHBondContact O-N 2.85Å; D343-T346 VanDerWaalsContact O-N 3.09Å; D343-T346 PolarHBondContact O-OG1 3.31Å
344	N	98.7	Very high	96.3	Very high	4 Å²	4	54.1 Å²	54.1	2%	0.021	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-67.4	-14.1	-174.8	-74.7	57.6	0	0	0	112.7	I34 A35 Y36 C37 G128 S130 I342 T346 L347	I34-N344 HydrophobicContact CG2-CB 4.07Å; I34-N344 VanDerWaalsContact CG2-ND2 3.32Å; I34-N344 WeakPolarHBondContact CG2-ND2 3.32Å; A35-N344 PolarHBondContact O-N 2.88Å; A35-N344 VanDerWaalsContact O-N 3.07Å; Y36-N344 WeakPolarHBondContact CA-OD1 3.43Å; C37-N344 PolarHBondContact N-OD1 3.29Å; G128-N344 PolarHBondContact O-ND2 3Å; S130-N344 PolarHBondContact O-ND2 3.36Å; I342-N344 PolarHBondContact O-N 2.92Å; I342-N344 PolarHBondContact O-OD1 3.22Å; N344-T346 PolarHBondContact O-N 3.05Å; N344-L347 HydrophobicContact CB-CD1 4.2Å; N344-L347 WeakPolarHBondContact O-CB 3.46Å; N344-L347 WeakPolarHBondContact O-CD1 3.42Å; N344-L347 WeakPolarHBondContact O-CG 3.37Å; N344-L347 PolarHBondContact O-N 2.92Å
345	R	98.2	Very high	96.7	Very high	196 Å²	196	55 Å²	55	74%	0.74	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-63.9	-25.3	172.8	-64.4	-136	-57.1	171.4	3.1	112.4	D343 L347 T348	D343-R345 PolarHBondContact O-N 3.12Å; D343-R345 VanDerWaalsContact O-N 3.14Å; D343-R345 VanDerWaalsContact OD1-CB 3.31Å; D343-R345 WeakPolarHBondContact OD1-CB 3.33Å; D343-R345 PolarHBondContact OD1-N 3.18Å; R345-L347 PolarHBondContact O-N 2.71Å; R345-T348 PolarHBondContact O-N 2.8Å; R345-T348 PolarHBondContact O-OG1 3Å; R345-T348 VanDerWaalsContact O-OG1 3.08Å
346	T	98.6	Very high	96.8	Very high	21 Å²	21	53 Å²	53	13%	0.129	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-72.8	-5	-179.4	66.8	0	0	0	0	113.3	R320 A321 D343 N344 T348 D349	R320-T346 WeakPolarHBondContact CA-OG1 3.24Å; R320-T346 HydrophobicContact CB-CG2 4.26Å; R320-T346 HydrophobicContact CG-CG2 3.94Å; A321-T346 PolarHBondContact N-OG1 2.91Å; D343-T346 HydrophobicContact CB-CG2 4.07Å; D343-T346 WeakPolarHBondContact O-CB 3.49Å; D343-T346 WeakPolarHBondContact O-CG2 3.37Å; D343-T346 PolarHBondContact O-N 2.85Å; D343-T346 VanDerWaalsContact O-N 3.09Å; D343-T346 PolarHBondContact O-OG1 3.31Å; N344-T346 PolarHBondContact O-N 3.05Å; T346-T348 PolarHBondContact O-N 3.13Å; T346-D349 WeakPolarHBondContact CA-OD2 3.37Å; T346-D349 WeakPolarHBondContact CB-OD2 3.37Å; T346-D349 WeakPolarHBondContact O-CB 3.36Å; T346-D349 PolarHBondContact O-N 2.86Å
347	L	98.3	Very high	96.9	Very high	23 Å²	23	55.5 Å²	55.5	12%	0.12	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-64.9	-14.2	173.4	-74.8	168.6	0	0	0	113.8	K4 V6 Q131 A321 N344 R345	K4-L347 HydrophobicContact CB-CB 4.15Å; V6-L347 HydrophobicContact CG2-CD2 3.69Å; Q131-L347 HydrophobicContact CG-CB 4.06Å; Q131-L347 HydrophobicContact CG-CD1 3.82Å; A321-L347 HydrophobicContact CB-CD2 3.59Å; A321-L347 HydrophobicContact CB-CG 3.94Å; N344-L347 HydrophobicContact CB-CD1 4.2Å; N344-L347 WeakPolarHBondContact O-CB 3.46Å; N344-L347 WeakPolarHBondContact O-CD1 3.42Å; N344-L347 WeakPolarHBondContact O-CG 3.37Å; N344-L347 PolarHBondContact O-N 2.92Å; R345-L347 PolarHBondContact O-N 2.71Å
348	T	94.7	Very high	97	Very high	91 Å²	91	47.1 Å²	47.1	56%	0.558	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-106.7	1.5	178.2	52.9	0	0	0	0	114.2	R345 T346	R345-T348 PolarHBondContact O-N 2.8Å; R345-T348 PolarHBondContact O-OG1 3Å; R345-T348 VanDerWaalsContact O-OG1 3.08Å; T346-T348 PolarHBondContact O-N 3.13Å
349	D	85.8	Confident	97.1	Very high	156 Å²	156	49.5 Å²	49.5	83%	0.834	24%	0.242	S	C	*	.			trans	-69.7	0	-179.3	-67	-12.7	0	0	0	113.3	R320 T346	R320-D349 IonicContact CZ-OD2 2.77Å; R320-D349 IonicContact NE-OD2 3.94Å; R320-D349 IonicContact NH2-OD2 3.8Å; T346-D349 WeakPolarHBondContact CA-OD2 3.37Å; T346-D349 WeakPolarHBondContact CB-OD2 3.37Å; T346-D349 WeakPolarHBondContact O-CB 3.36Å; T346-D349 PolarHBondContact O-N 2.86Å

Retrieved 349 of 349 residues in 221.4 ms (Link to these results)

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