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Type II NADH:quinone oxidoreductase

Alternative, nonproton pumping NADH:quinone oxidoreductase that delivers electrons to the respiratory chain by oxidation of NADH and reduction of quinones, and contributes to the regeneration of NAD(+)^1,2. Can use DMN, a menaquinone analog, 2,3-dimethoxy-5,6-dimethyl-benzoquinone (DDB), an ubiquinone analog, or 2,3,5,6-tetramethyl-1,4-benzoquinone (Duroquinone, DQ) a plastoquinone analog as electron acceptors³.

AlphaFold DB , UniProt , Accession Q2FZV7, Species STAA8 (Staphylococcus aureus (strain NCTC 8325 / PS 47)), Gene n/a, Length 402 aa.

Structure Viewer

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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	36.8	Very low	81.4	Confident	239 Å²	239	84.9 Å²	84.9	100%	1.177	44%	0.436	S	S	*	.				0	124.8	0	-63.8	-174.1	-131	0	0	105.8	Q3	M1-Q3 PolarHBondContact O-N 3.19Å; M1-Q3 VanDerWaalsContact O-N 3.11Å
2	A	46.1	Very low	82.8	Confident	107 Å²	107	78.4 Å²	78.4	88%	0.884	41%	0.406	S	S	*	.			trans	-61.9	116.7	173.5	0	0	0	0	0	106.8	D4	A2-D4 PolarHBondContact O-N 2.78Å
3	Q	56.6	Low	84.1	Confident	181 Å²	181	72.5 Å²	72.5	85%	0.846	38%	0.375	S	S	*	.			trans	-60.6	124.7	175.6	-166.7	164.3	-3.6	0	0	106.9	M1 R5	M1-Q3 PolarHBondContact O-N 3.19Å; M1-Q3 VanDerWaalsContact O-N 3.11Å; Q3-R5 PolarHBondContact O-N 2.82Å
4	D	75.4	Confident	85.1	Confident	154 Å²	154	69.4 Å²	69.4	82%	0.824	37%	0.37	S	S	*	.			trans	-62.9	108.7	-172.5	-147.2	5.7	0	0	0	108.6	A2 K6	A2-D4 PolarHBondContact O-N 2.78Å; D4-K6 PolarHBondContact O-N 2.72Å
5	R	90.5	Very high	86	Confident	62 Å²	62	66.1 Å²	66.1	23%	0.234	35%	0.351	C	S	.	.			trans	-71	122.8	-168	-175.8	179.6	177.3	-159.2	-1.7	108.6	Q3 K7 T30 A33 E34	Q3-R5 PolarHBondContact O-N 2.82Å; R5-K7 PolarHBondContact O-N 2.91Å; R5-T30 WeakPolarHBondContact CD-O 3.47Å; R5-T30 PolarHBondContact NE-O 2.8Å; R5-T30 PolarHBondContact NH1-O 3.1Å; R5-T30 VanDerWaalsContact NH1-O 3.13Å; R5-T30 PolarHBondContact NH2-O 3.11Å; R5-A33 VanDerWaalsContact CG-CA 3.48Å; R5-A33 VanDerWaalsContact CZ-C 3.5Å; R5-A33 PolarHBondContact NE-O 3.11Å; R5-A33 PolarHBondContact NH2-O 3.02Å; R5-E34 HydrophobicContact CG-CB 4.33Å; R5-E34 VanDerWaalsContact NE-N 3.18Å
6	K	96.1	Very high	86.8	Confident	101 Å²	101	62.3 Å²	62.3	44%	0.439	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	133.9	-175.9	-72	-71.8	171.1	-174.2	0	111.5	D4 A33 E34 D103 L337	D4-K6 PolarHBondContact O-N 2.72Å; K6-A33 HydrophobicContact CB-CB 4.49Å; K6-A33 CarbonylContact O-C 3.5Å; K6-A33 WeakPolarHBondContact O-CA 3.45Å; K6-A33 WeakPolarHBondContact O-CB 3.36Å; K6-E34 PolarHBondContact O-N 3.08Å; K6-D103 WeakPolarHBondContact CA-OD2 3.29Å; K6-D103 HydrophobicContact CB-CB 4.35Å; K6-D103 HydrophobicContact CD-CB 3.64Å; K6-D103 WeakPolarHBondContact CD-OD1 3.28Å; K6-D103 IonicContact NZ-OD1 2.57Å; K6-D103 PolarHBondContact NZ-OD1 2.81Å; K6-L337 HydrophobicContact CB-CD2 3.7Å; K6-L337 HydrophobicContact CG-CD2 4.07Å
7	K	98.1	Very high	87.5	Confident	85 Å²	85	58.6 Å²	58.6	37%	0.37	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	113.5	179	-64.7	177.8	-177.5	174.3	0	110.8	R5 D103 I104	R5-K7 PolarHBondContact O-N 2.91Å; K7-D103 PolarHBondContact N-OD2 3.45Å; K7-D103 PolarHBondContact O-N 2.91Å; K7-I104 PolarHBondContact O-N 3.08Å
8	V	98.8	Very high	88.2	Confident	1 Å²	1	55.4 Å²	55.4	1%	0.006	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	108.6	172.5	-178.9	0	0	0	0	108.5	V10 L24 A33 E34 I35 T36 I104 I333	V8-V10 HydrophobicContact CG1-CG2 4.32Å; V8-L24 HydrophobicContact CB-CD2 4.48Å; V8-L24 HydrophobicContact CG1-CD2 3.88Å; V8-L24 HydrophobicContact CG2-CD2 4.5Å; V8-A33 HydrophobicContact CG2-CB 4.03Å; V8-E34 PolarHBondContact N-O 3.39Å; V8-I35 HydrophobicContact CB-CG1 4.46Å; V8-I35 WeakPolarHBondContact O-CA 3.15Å; V8-T36 PolarHBondContact O-N 2.67Å; V8-I104 WeakPolarHBondContact CA-O 3.44Å; V8-I104 HydrophobicContact CG2-CB 4.34Å; V8-I104 HydrophobicContact CG2-CD1 4.44Å; V8-I333 HydrophobicContact CG1-CD1 3.97Å; V8-I333 HydrophobicContact CG2-CG2 3.97Å
9	L	98.9	Very high	88.7	Confident	4 Å²	4	52.5 Å²	52.5	2%	0.021	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	122.1	179.5	-174.2	60.9	0	0	0	110.2	L11 T36 I38 V93 F102 I104 L105 V106	L9-L11 HydrophobicContact CD1-CD2 4.28Å; L9-L11 HydrophobicContact CD2-CD2 4.06Å; L9-L11 HydrophobicContact CG-CD2 3.83Å; L9-T36 HydrophobicContact CD1-CG2 3.67Å; L9-I38 HydrophobicContact CD1-CD1 3.79Å; L9-I38 HydrophobicContact CD1-CG1 3.93Å; L9-V93 HydrophobicContact CD2-CB 3.79Å; L9-V93 HydrophobicContact CD2-CG2 3.49Å; L9-V93 VanDerWaalsContact CD2-CG2 3.49Å; L9-F102 HydrophobicContact CB-CB 3.69Å; L9-F102 HydrophobicContact CD2-CB 4.16Å; L9-F102 HydrophobicContact CD2-CD1 4.28Å; L9-I104 PolarHBondContact N-O 3.28Å; L9-L105 HydrophobicContact CB-CD1 4.11Å; L9-L105 HydrophobicContact CD2-CD1 4.07Å; L9-L105 HydrophobicContact CG-CD1 4.09Å; L9-L105 CarbonylContact O-C 3.59Å; L9-L105 WeakPolarHBondContact O-CA 3.43Å; L9-V106 PolarHBondContact O-N 3.42Å
10	V	99	Very high	89.2	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	124	177.7	-174.8	0	0	0	0	109.3	V8 V21 T36 L37 I38 V106	V8-V10 HydrophobicContact CG1-CG2 4.32Å; V10-V21 HydrophobicContact CB-CG2 3.94Å; V10-V21 HydrophobicContact CG1-CG2 4.05Å; V10-V21 HydrophobicContact CG2-CG2 3.72Å; V10-T36 PolarHBondContact N-O 3.46Å; V10-L37 HydrophobicContact CB-CD1 3.95Å; V10-L37 HydrophobicContact CG1-CD1 3.83Å; V10-L37 WeakPolarHBondContact O-CA 3.47Å; V10-I38 PolarHBondContact O-N 3.29Å; V10-V106 WeakPolarHBondContact CA-O 3.42Å; V10-V106 HydrophobicContact CB-CB 4.38Å; V10-V106 HydrophobicContact CG1-CB 4.17Å; V10-V106 HydrophobicContact CG1-CG1 4.31Å; V10-V106 HydrophobicContact CG2-CB 4.06Å; V10-V106 HydrophobicContact CG2-CG2 4.16Å
11	L	98.9	Very high	89.7	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	112.6	-178	-51.8	-175	0	0	0	110.5	L9 I38 V83 I86 V93 L105 V106 A108 L109	L9-L11 HydrophobicContact CD1-CD2 4.28Å; L9-L11 HydrophobicContact CD2-CD2 4.06Å; L9-L11 HydrophobicContact CG-CD2 3.83Å; L11-I38 HydrophobicContact CD2-CB 4.13Å; L11-I38 HydrophobicContact CD2-CD1 3.99Å; L11-I38 HydrophobicContact CD2-CG1 4.25Å; L11-V83 HydrophobicContact CB-CG2 4.47Å; L11-V83 HydrophobicContact CD1-CG1 4.35Å; L11-V83 HydrophobicContact CD1-CG2 4.38Å; L11-V83 HydrophobicContact CD2-CG2 4.05Å; L11-I86 HydrophobicContact CD1-CD1 3.61Å; L11-I86 HydrophobicContact CD1-CG1 3.93Å; L11-V93 HydrophobicContact CD1-CG1 4.05Å; L11-V93 HydrophobicContact CD1-CG2 4.06Å; L11-V93 HydrophobicContact CD2-CG1 3.96Å; L11-V93 HydrophobicContact CD2-CG2 4.38Å; L11-L105 HydrophobicContact CD1-CD1 3.86Å; L11-L105 HydrophobicContact CD2-CD1 4.38Å; L11-L105 HydrophobicContact CG-CD1 3.83Å; L11-V106 PolarHBondContact N-O 2.83Å; L11-A108 CarbonylContact O-C 3.54Å; L11-A108 WeakPolarHBondContact O-CA 3.37Å; L11-A108 WeakPolarHBondContact O-CB 3.38Å; L11-A108 PolarHBondContact O-N 3.08Å; L11-L109 HydrophobicContact CB-CD2 3.85Å; L11-L109 HydrophobicContact CB-CG 4.07Å; L11-L109 PolarHBondContact O-N 2.93Å
12	G	98.9	Very high	92.7	Very high	7 Å²	7	36.1 Å²	36.1	7%	0.072	20%	0.197	C	C	.	.			trans	98.2	122.3	-178.6	0	0	0	0	0	112.4	G14 G17 I38	G12-G14 VanDerWaalsContact C-N 3.31Å; G12-G14 PolarHBondContact O-N 3.2Å; G12-G17 WeakPolarHBondContact O-CA 3.25Å; G12-I38 WeakPolarHBondContact CA-O 3.5Å; G12-I38 PolarHBondContact N-O 3.17Å
13	A	98.8	Very high	95.2	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.008	17%	0.168	C	C	.	.			trans	-95.4	34.2	176.4	0	0	0	0	0	112.4	L37 N39 H44 V67	A13-L37 HydrophobicContact CB-CD1 4.15Å; A13-L37 HydrophobicContact CB-CD2 4Å; A13-L37 HydrophobicContact CB-CG 4.3Å; A13-N39 HydrophobicContact CB-CB 3.68Å; A13-N39 VanDerWaalsContact CB-CG 3.49Å; A13-N39 PolarHBondContact N-OD1 3.4Å; A13-H44 PolarHBondContact O-ND1 3.46Å; A13-V67 HydrophobicContact CB-CG1 4.11Å; A13-V67 HydrophobicContact CB-CG2 3.83Å
14	G	98.7	Very high	97.2	Very high	29 Å²	29	25.6 Å²	25.6	30%	0.299	13%	0.128	S	C	.	.	S	Bend	trans	-77.8	-165.7	172.7	0	0	0	0	0	112.8	G12 A16 L18	G12-G14 VanDerWaalsContact C-N 3.31Å; G12-G14 PolarHBondContact O-N 3.2Å; G14-A16 VanDerWaalsContact C-N 3.27Å; G14-A16 PolarHBondContact O-N 3.4Å; G14-L18 VanDerWaalsContact O-CB 3.26Å; G14-L18 WeakPolarHBondContact O-CB 3.45Å; G14-L18 PolarHBondContact O-N 2.78Å
15	Y	98.8	Very high	98.3	Very high	20 Å²	20	18.5 Å²	18.5	8%	0.078	9%	0.09	C	C	.	.	H	α-helix	trans	-52.2	-42.7	179.8	-73.9	-64.8	0	0	0	113.8	Q19 E46 A47 T48 A319 M323	Y15-Q19 WeakPolarHBondContact O-CB 3.24Å; Y15-E46 WeakPolarHBondContact CE1-OE2 3.43Å; Y15-E46 VanDerWaalsContact CZ-OE2 3.28Å; Y15-E46 VanDerWaalsContact OH-CA 3.23Å; Y15-E46 WeakPolarHBondContact OH-CA 3.43Å; Y15-E46 PolarHBondContact OH-OE2 3Å; Y15-A47 HydrophobicContact CE2-CB 4Å; Y15-A47 PolarHBondContact OH-N 3.29Å; Y15-T48 HydrophobicContact CE2-CG2 3.95Å; Y15-T48 PolarHBondContact OH-N 2.83Å; Y15-T48 PolarHBondContact OH-OG1 2.9Å; Y15-A319 HydrophobicContact CD1-CB 4.18Å; Y15-A319 HydrophobicContact CD2-CB 3.49Å; Y15-A319 VanDerWaalsContact CD2-CB 3.49Å; Y15-A319 HydrophobicContact CE1-CB 4.28Å; Y15-A319 HydrophobicContact CE2-CB 3.58Å; Y15-A319 HydrophobicContact CG-CB 3.81Å; Y15-M323 HydrophobicContact CD1-CG 4.07Å; Y15-M323 HydrophobicContact CD1-SD 4.11Å; Y15-M323 HydrophobicContact CG-CG 4.44Å
16	A	98.9	Very high	98.6	Very high	6 Å²	6	21.6 Å²	21.6	5%	0.05	11%	0.105	C	C	.	.	H	α-helix	trans	-74	-57.8	-177.3	0	0	0	0	0	111.4	G14 Q19 T20 A108 I300 A322	G14-A16 VanDerWaalsContact C-N 3.27Å; G14-A16 PolarHBondContact O-N 3.4Å; A16-Q19 PolarHBondContact O-N 2.81Å; A16-T20 PolarHBondContact O-N 2.69Å; A16-T20 PolarHBondContact O-OG1 3.43Å; A16-T20 VanDerWaalsContact O-OG1 3.1Å; A16-A108 HydrophobicContact CB-CB 4.03Å; A16-I300 HydrophobicContact CB-CB 4.21Å; A16-I300 HydrophobicContact CB-CD1 3.7Å; A16-I300 HydrophobicContact CB-CG1 3.7Å; A16-A322 WeakPolarHBondContact CA-O 3.39Å; A16-A322 HydrophobicContact CB-CB 3.96Å
17	G	98.9	Very high	98.7	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-68.8	-42.5	-173.2	0	0	0	0	0	113.7	G12 Q19 T20 V21	G12-G17 WeakPolarHBondContact O-CA 3.25Å; G17-Q19 VanDerWaalsContact C-N 3.31Å; G17-Q19 PolarHBondContact O-N 3.44Å; G17-T20 WeakPolarHBondContact O-CB 3.32Å; G17-T20 PolarHBondContact O-N 2.94Å; G17-V21 WeakPolarHBondContact O-CG2 3.33Å; G17-V21 PolarHBondContact O-N 3.24Å
18	L	98.9	Very high	98.6	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-68.2	-34	178.9	-168.8	59.9	0	0	0	111.7	G14 V21 T22 L37 H44 Y65 V67 V70 L71 I390	G14-L18 VanDerWaalsContact O-CB 3.26Å; G14-L18 WeakPolarHBondContact O-CB 3.45Å; G14-L18 PolarHBondContact O-N 2.78Å; L18-V21 PolarHBondContact O-N 2.95Å; L18-T22 HydrophobicContact CD1-CG2 4.22Å; L18-T22 HydrophobicContact CG-CG2 4.29Å; L18-T22 WeakPolarHBondContact O-CB 3.46Å; L18-T22 VanDerWaalsContact O-CG2 3.27Å; L18-T22 WeakPolarHBondContact O-CG2 3.49Å; L18-T22 PolarHBondContact O-N 2.93Å; L18-T22 PolarHBondContact O-OG1 3.36Å; L18-L37 HydrophobicContact CD1-CD2 3.93Å; L18-H44 HydrophobicContact CD2-CB 3.71Å; L18-Y65 HydrophobicContact CD2-CE2 4.07Å; L18-V67 HydrophobicContact CD1-CG1 3.99Å; L18-V70 HydrophobicContact CD1-CG2 3.84Å; L18-V70 HydrophobicContact CD2-CG2 4.13Å; L18-V70 HydrophobicContact CG-CG2 4.22Å; L18-L71 HydrophobicContact CD1-CD2 4.2Å; L18-I390 HydrophobicContact CD2-CG2 3.67Å; L18-I390 HydrophobicContact CG-CG2 3.76Å
19	Q	98.9	Very high	98.4	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-65.8	-42.5	171.9	-178.1	70.5	-55.5	0	0	111.7	Y15 A16 G17 V21 T22 K23 M323 E327 K389	Y15-Q19 WeakPolarHBondContact O-CB 3.24Å; A16-Q19 PolarHBondContact O-N 2.81Å; G17-Q19 VanDerWaalsContact C-N 3.31Å; G17-Q19 PolarHBondContact O-N 3.44Å; Q19-V21 PolarHBondContact O-N 3.33Å; Q19-T22 PolarHBondContact O-OG1 3.37Å; Q19-T22 PolarHBondContact OE1-OG1 3.29Å; Q19-K23 HydrophobicContact CG-CG 4.44Å; Q19-K23 WeakPolarHBondContact O-CB 3.36Å; Q19-K23 WeakPolarHBondContact O-CG 3.47Å; Q19-K23 PolarHBondContact O-N 2.81Å; Q19-K23 VanDerWaalsContact O-N 3.11Å; Q19-M323 HydrophobicContact CG-CB 4.37Å; Q19-M323 VanDerWaalsContact CG-O 3.3Å; Q19-M323 WeakPolarHBondContact CG-O 3.5Å; Q19-E327 HydrophobicContact CG-CG 4.04Å; Q19-E327 PolarHBondContact NE2-OE1 3.43Å; Q19-K389 PolarHBondContact OE1-O 2.84Å
20	T	98.9	Very high	98.2	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-55.3	-52.5	173.1	-60.2	0	0	0	0	111	A16 G17 K23 L24 V106 I300 G326 V329 A330 I333	A16-T20 PolarHBondContact O-N 2.69Å; A16-T20 PolarHBondContact O-OG1 3.43Å; A16-T20 VanDerWaalsContact O-OG1 3.1Å; G17-T20 WeakPolarHBondContact O-CB 3.32Å; G17-T20 PolarHBondContact O-N 2.94Å; T20-K23 PolarHBondContact O-N 2.94Å; T20-L24 WeakPolarHBondContact O-CB 3.39Å; T20-L24 PolarHBondContact O-N 3.35Å; T20-V106 HydrophobicContact CG2-CG1 4.49Å; T20-V106 HydrophobicContact CG2-CG2 4.42Å; T20-I300 WeakPolarHBondContact OG1-CD1 3.38Å; T20-G326 WeakPolarHBondContact CA-O 3.38Å; T20-G326 WeakPolarHBondContact OG1-CA 3.38Å; T20-G326 PolarHBondContact OG1-O 2.93Å; T20-V329 HydrophobicContact CG2-CB 4.29Å; T20-V329 HydrophobicContact CG2-CG1 3.79Å; T20-A330 HydrophobicContact CG2-CB 4.48Å; T20-I333 HydrophobicContact CG2-CD1 4.4Å
21	V	98.9	Very high	97.9	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-63.2	-48.2	-177.2	172.6	0	0	0	0	111.7	V10 G17 L18 Q19 K23 L24 Q25 I35 L37 L71 V76	V10-V21 HydrophobicContact CB-CG2 3.94Å; V10-V21 HydrophobicContact CG1-CG2 4.05Å; V10-V21 HydrophobicContact CG2-CG2 3.72Å; G17-V21 WeakPolarHBondContact O-CG2 3.33Å; G17-V21 PolarHBondContact O-N 3.24Å; L18-V21 PolarHBondContact O-N 2.95Å; Q19-V21 PolarHBondContact O-N 3.33Å; V21-K23 PolarHBondContact O-N 2.79Å; V21-L24 PolarHBondContact O-N 2.97Å; V21-Q25 WeakPolarHBondContact O-CB 3.28Å; V21-Q25 VanDerWaalsContact O-CG 3.3Å; V21-Q25 WeakPolarHBondContact O-CG 3.46Å; V21-Q25 PolarHBondContact O-N 2.97Å; V21-I35 HydrophobicContact CG1-CG2 4.4Å; V21-I35 HydrophobicContact CG2-CG2 4.22Å; V21-L37 HydrophobicContact CG1-CD2 4.43Å; V21-L37 HydrophobicContact CG2-CB 4.25Å; V21-L37 HydrophobicContact CG2-CD1 4.07Å; V21-L37 HydrophobicContact CG2-CD2 4.22Å; V21-L37 HydrophobicContact CG2-CG 4.41Å; V21-L71 HydrophobicContact CG1-CD2 3.69Å; V21-V76 HydrophobicContact CG1-CB 4.47Å; V21-V76 HydrophobicContact CG1-CG1 3.83Å; V21-V76 HydrophobicContact CG1-CG2 3.81Å
22	T	98.8	Very high	97.6	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-68.4	-22.9	-176	56.3	0	0	0	0	113.5	L18 Q19 Q25 K26 V70 I390	L18-T22 HydrophobicContact CD1-CG2 4.22Å; L18-T22 HydrophobicContact CG-CG2 4.29Å; L18-T22 WeakPolarHBondContact O-CB 3.46Å; L18-T22 VanDerWaalsContact O-CG2 3.27Å; L18-T22 WeakPolarHBondContact O-CG2 3.49Å; L18-T22 PolarHBondContact O-N 2.93Å; L18-T22 PolarHBondContact O-OG1 3.36Å; Q19-T22 PolarHBondContact O-OG1 3.37Å; Q19-T22 PolarHBondContact OE1-OG1 3.29Å; T22-Q25 WeakPolarHBondContact O-CG 3.25Å; T22-K26 WeakPolarHBondContact O-CD 3.24Å; T22-K26 VanDerWaalsContact O-CE 3.31Å; T22-K26 WeakPolarHBondContact O-CE 3.08Å; T22-K26 WeakPolarHBondContact O-CG 3.43Å; T22-V70 HydrophobicContact CG2-CB 4.08Å; T22-V70 HydrophobicContact CG2-CG2 3.74Å; T22-I390 HydrophobicContact CG2-CG2 4.01Å
23	K	98.8	Very high	97.5	Very high	67 Å²	67	30.8 Å²	30.8	29%	0.291	17%	0.167	S	C	.	.	H	α-helix	trans	-82.1	-48.2	169.8	-65.7	-72.6	173	173.3	0	111.7	Q19 T20 V21 Q25 K26 A27 E327 A330	Q19-K23 HydrophobicContact CG-CG 4.44Å; Q19-K23 WeakPolarHBondContact O-CB 3.36Å; Q19-K23 WeakPolarHBondContact O-CG 3.47Å; Q19-K23 PolarHBondContact O-N 2.81Å; Q19-K23 VanDerWaalsContact O-N 3.11Å; T20-K23 PolarHBondContact O-N 2.94Å; V21-K23 PolarHBondContact O-N 2.79Å; K23-Q25 PolarHBondContact O-N 3.13Å; K23-K26 WeakPolarHBondContact O-CB 3.48Å; K23-K26 PolarHBondContact O-N 3Å; K23-K26 VanDerWaalsContact O-N 3.14Å; K23-A27 PolarHBondContact O-N 3.42Å; K23-E327 HydrophobicContact CD-CG 4.09Å; K23-E327 HydrophobicContact CG-CG 3.93Å; K23-A330 HydrophobicContact CB-CB 3.57Å
24	L	98.7	Very high	97.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-61.5	-43.9	-177.1	-175.1	64.4	0	0	0	111.8	V8 T20 V21 K26 A27 I28 I35 A330 I333	V8-L24 HydrophobicContact CB-CD2 4.48Å; V8-L24 HydrophobicContact CG1-CD2 3.88Å; V8-L24 HydrophobicContact CG2-CD2 4.5Å; T20-L24 WeakPolarHBondContact O-CB 3.39Å; T20-L24 PolarHBondContact O-N 3.35Å; V21-L24 PolarHBondContact O-N 2.97Å; L24-K26 PolarHBondContact O-N 3.25Å; L24-A27 PolarHBondContact O-N 3.24Å; L24-I28 HydrophobicContact CD1-CG2 3.6Å; L24-I28 HydrophobicContact CG-CD1 4.43Å; L24-I28 HydrophobicContact CG-CG2 4.16Å; L24-I28 WeakPolarHBondContact O-CG1 3.4Å; L24-I28 PolarHBondContact O-N 3.04Å; L24-I35 HydrophobicContact CB-CD1 4.31Å; L24-I35 HydrophobicContact CD2-CD1 3.8Å; L24-I35 HydrophobicContact CD2-CG1 4.04Å; L24-I35 HydrophobicContact CG-CD1 3.9Å; L24-A330 HydrophobicContact CB-CB 4.12Å; L24-I333 HydrophobicContact CD1-CB 4.05Å; L24-I333 HydrophobicContact CD1-CG2 3.76Å; L24-I333 HydrophobicContact CD2-CD1 4.26Å; L24-I333 HydrophobicContact CD2-CG2 3.91Å
25	Q	98.4	Very high	97.4	Very high	6 Å²	6	32.9 Å²	32.9	3%	0.028	17%	0.169	C	C	.	.	H	α-helix	trans	-59.8	-20.5	178.8	71.9	179.6	-4.7	0	0	114.2	V21 T22 K23 I35 V70 K72 K75 V76	V21-Q25 WeakPolarHBondContact O-CB 3.28Å; V21-Q25 VanDerWaalsContact O-CG 3.3Å; V21-Q25 WeakPolarHBondContact O-CG 3.46Å; V21-Q25 PolarHBondContact O-N 2.97Å; T22-Q25 WeakPolarHBondContact O-CG 3.25Å; K23-Q25 PolarHBondContact O-N 3.13Å; Q25-I35 HydrophobicContact CB-CD1 4.4Å; Q25-V70 PolarHBondContact NE2-O 2.85Å; Q25-K72 HydrophobicContact CB-CB 4.45Å; Q25-K72 HydrophobicContact CB-CD 4.28Å; Q25-K72 HydrophobicContact CG-CD 4.07Å; Q25-K72 HydrophobicContact CG-CG 4.32Å; Q25-K75 VanDerWaalsContact O-CD 3.27Å; Q25-K75 WeakPolarHBondContact O-CD 3.21Å; Q25-K75 PolarHBondContact O-NZ 2.85Å; Q25-V76 HydrophobicContact CB-CG2 4.02Å
26	K	98.1	Very high	97.4	Very high	126 Å²	126	32.7 Å²	32.7	55%	0.548	17%	0.17	S	C	.	.	H	α-helix	trans	-84.9	-27.4	175.2	-64.4	171.8	-176.5	166.7	0	111.7	T22 K23 L24	T22-K26 WeakPolarHBondContact O-CD 3.24Å; T22-K26 VanDerWaalsContact O-CE 3.31Å; T22-K26 WeakPolarHBondContact O-CE 3.08Å; T22-K26 WeakPolarHBondContact O-CG 3.43Å; K23-K26 WeakPolarHBondContact O-CB 3.48Å; K23-K26 PolarHBondContact O-N 3Å; K23-K26 VanDerWaalsContact O-N 3.14Å; L24-K26 PolarHBondContact O-N 3.25Å
27	A	97.8	Very high	97.4	Very high	50 Å²	50	32.4 Å²	32.4	41%	0.413	17%	0.167	S	C	.	.	H	α-helix	trans	-92.9	-26.6	-174.3	0	0	0	0	0	114.1	K23 L24 K334	K23-A27 PolarHBondContact O-N 3.42Å; L24-A27 PolarHBondContact O-N 3.24Å; A27-K334 HydrophobicContact CB-CG 4.49Å; A27-K334 PolarHBondContact O-NZ 3.27Å; A27-K334 VanDerWaalsContact O-NZ 3.13Å
28	I	96.7	Very high	97.4	Very high	5 Å²	5	32.4 Å²	32.4	3%	0.026	17%	0.168	C	C	.	.			trans	-100.9	154.8	-177.7	69.4	165.6	0	0	0	113.3	L24 E32 A33 I35 K75 K334 L337	L24-I28 HydrophobicContact CD1-CG2 3.6Å; L24-I28 HydrophobicContact CG-CD1 4.43Å; L24-I28 HydrophobicContact CG-CG2 4.16Å; L24-I28 WeakPolarHBondContact O-CG1 3.4Å; L24-I28 PolarHBondContact O-N 3.04Å; I28-E32 WeakPolarHBondContact CA-OE2 3.43Å; I28-E32 HydrophobicContact CB-CB 4.46Å; I28-E32 WeakPolarHBondContact CB-OE2 3.38Å; I28-A33 HydrophobicContact CD1-CB 3.98Å; I28-A33 VanDerWaalsContact CD1-O 3.31Å; I28-A33 WeakPolarHBondContact CD1-O 3.45Å; I28-I35 HydrophobicContact CD1-CD1 3.56Å; I28-I35 HydrophobicContact CD1-CG1 3.79Å; I28-I35 HydrophobicContact CG1-CD1 4.28Å; I28-K75 WeakPolarHBondContact O-CE 3.4Å; I28-K75 PolarHBondContact O-NZ 2.85Å; I28-K334 HydrophobicContact CG2-CD 3.96Å; I28-L337 HydrophobicContact CG2-CD1 3.86Å
29	S	94.1	Very high	97.4	Very high	44 Å²	44	33.4 Å²	33.4	31%	0.308	17%	0.173	S	C	.	.			trans	-86.7	167.9	166.4	81.7	0	0	0	0	111.5	E31 E32	S29-E31 PolarHBondContact O-N 3.46Å; S29-E31 PolarHBondContact OG-N 3.04Å; S29-E32 PolarHBondContact N-OE2 3.34Å; S29-E32 PolarHBondContact O-N 3.21Å; S29-E32 VanDerWaalsContact OG-CG 3.32Å; S29-E32 WeakPolarHBondContact OG-CG 3.39Å; S29-E32 PolarHBondContact OG-N 2.98Å
30	T	93.4	Very high	97.4	Very high	64 Å²	64	38.9 Å²	38.9	39%	0.393	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-7.2	172.8	47.6	0	0	0	0	113.5	R5 D74 K75	R5-T30 WeakPolarHBondContact CD-O 3.47Å; R5-T30 PolarHBondContact NE-O 2.8Å; R5-T30 PolarHBondContact NH1-O 3.1Å; R5-T30 VanDerWaalsContact NH1-O 3.13Å; R5-T30 PolarHBondContact NH2-O 3.11Å; T30-D74 HydrophobicContact CG2-CB 4.49Å; T30-K75 HydrophobicContact CG2-CG 3.76Å
31	E	93.3	Very high	97.4	Very high	164 Å²	164	40.5 Å²	40.5	77%	0.766	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.7	-23	178.4	-62.5	-177.9	171.7	0	0	111.7	S29	S29-E31 PolarHBondContact O-N 3.46Å; S29-E31 PolarHBondContact OG-N 3.04Å
32	E	93.6	Very high	97.4	Very high	64 Å²	64	46.3 Å²	46.3	30%	0.299	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-50.5	-174.7	-76.4	170.6	154.5	0	0	113.6	I28 S29 K334	I28-E32 WeakPolarHBondContact CA-OE2 3.43Å; I28-E32 HydrophobicContact CB-CB 4.46Å; I28-E32 WeakPolarHBondContact CB-OE2 3.38Å; S29-E32 PolarHBondContact N-OE2 3.34Å; S29-E32 PolarHBondContact O-N 3.21Å; S29-E32 VanDerWaalsContact OG-CG 3.32Å; S29-E32 WeakPolarHBondContact OG-CG 3.39Å; S29-E32 PolarHBondContact OG-N 2.98Å; E32-K334 IonicContact OE1-NZ 2.71Å; E32-K334 PolarHBondContact OE1-NZ 3.04Å; E32-K334 IonicContact OE2-NZ 2.67Å; E32-K334 PolarHBondContact OE2-NZ 3.47Å
33	A	97	Very high	97.4	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	141.9	-175.1	0	0	0	0	0	112.8	R5 K6 V8 I28 L337	R5-A33 VanDerWaalsContact CG-CA 3.48Å; R5-A33 VanDerWaalsContact CZ-C 3.5Å; R5-A33 PolarHBondContact NE-O 3.11Å; R5-A33 PolarHBondContact NH2-O 3.02Å; K6-A33 HydrophobicContact CB-CB 4.49Å; K6-A33 CarbonylContact O-C 3.5Å; K6-A33 WeakPolarHBondContact O-CA 3.45Å; K6-A33 WeakPolarHBondContact O-CB 3.36Å; V8-A33 HydrophobicContact CG2-CB 4.03Å; I28-A33 HydrophobicContact CD1-CB 3.98Å; I28-A33 VanDerWaalsContact CD1-O 3.31Å; I28-A33 WeakPolarHBondContact CD1-O 3.45Å; A33-L337 HydrophobicContact CB-CD1 3.52Å; A33-L337 HydrophobicContact CB-CD2 3.81Å; A33-L337 HydrophobicContact CB-CG 4.33Å
34	E	96.5	Very high	97.4	Very high	75 Å²	75	44.7 Å²	44.7	35%	0.35	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	125.6	176.1	-176.7	-173.1	154.5	0	0	108.6	R5 K6 V8	R5-E34 HydrophobicContact CG-CB 4.33Å; R5-E34 VanDerWaalsContact NE-N 3.18Å; K6-E34 PolarHBondContact O-N 3.08Å; V8-E34 PolarHBondContact N-O 3.39Å
35	I	98.7	Very high	97.4	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	126.8	179.3	-53.7	168.4	0	0	0	108.8	V8 V21 L24 Q25 I28 K75 V76 N77	V8-I35 HydrophobicContact CB-CG1 4.46Å; V8-I35 WeakPolarHBondContact O-CA 3.15Å; V21-I35 HydrophobicContact CG1-CG2 4.4Å; V21-I35 HydrophobicContact CG2-CG2 4.22Å; L24-I35 HydrophobicContact CB-CD1 4.31Å; L24-I35 HydrophobicContact CD2-CD1 3.8Å; L24-I35 HydrophobicContact CD2-CG1 4.04Å; L24-I35 HydrophobicContact CG-CD1 3.9Å; Q25-I35 HydrophobicContact CB-CD1 4.4Å; I28-I35 HydrophobicContact CD1-CD1 3.56Å; I28-I35 HydrophobicContact CD1-CG1 3.79Å; I28-I35 HydrophobicContact CG1-CD1 4.28Å; I35-K75 PolarHBondContact N-O 2.81Å; I35-V76 HydrophobicContact CB-CG1 4.46Å; I35-V76 HydrophobicContact CB-CG2 4.13Å; I35-V76 HydrophobicContact CD1-CG2 4.04Å; I35-V76 HydrophobicContact CG2-CG1 4.13Å; I35-V76 HydrophobicContact CG2-CG2 4.28Å; I35-V76 CarbonylContact O-C 3.59Å; I35-V76 WeakPolarHBondContact O-CA 3.34Å; I35-N77 PolarHBondContact O-N 2.63Å
36	T	98.9	Very high	97.4	Very high	15 Å²	15	47 Å²	47	9%	0.092	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	128.1	164.9	-65.6	0	0	0	0	109.4	V8 L9 V10 I38 N77 V79 Y100	V8-T36 PolarHBondContact O-N 2.67Å; L9-T36 HydrophobicContact CD1-CG2 3.67Å; V10-T36 PolarHBondContact N-O 3.46Å; T36-I38 HydrophobicContact CG2-CG1 4.1Å; T36-N77 CarbonylContact C-O 3.56Å; T36-N77 WeakPolarHBondContact CA-O 3.37Å; T36-V79 HydrophobicContact CG2-CG2 3.86Å; T36-Y100 HydrophobicContact CG2-CD1 4.29Å
37	L	98.9	Very high	97.4	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	116.3	174.5	174.7	60.3	0	0	0	109.2	V10 A13 L18 V21 V67 L71 V76 N77 F78 V79	V10-L37 HydrophobicContact CB-CD1 3.95Å; V10-L37 HydrophobicContact CG1-CD1 3.83Å; V10-L37 WeakPolarHBondContact O-CA 3.47Å; A13-L37 HydrophobicContact CB-CD1 4.15Å; A13-L37 HydrophobicContact CB-CD2 4Å; A13-L37 HydrophobicContact CB-CG 4.3Å; L18-L37 HydrophobicContact CD1-CD2 3.93Å; V21-L37 HydrophobicContact CG1-CD2 4.43Å; V21-L37 HydrophobicContact CG2-CB 4.25Å; V21-L37 HydrophobicContact CG2-CD1 4.07Å; V21-L37 HydrophobicContact CG2-CD2 4.22Å; V21-L37 HydrophobicContact CG2-CG 4.41Å; L37-V67 HydrophobicContact CD2-CG1 3.63Å; L37-L71 HydrophobicContact CD2-CD1 4.45Å; L37-L71 HydrophobicContact CD2-CD2 4.37Å; L37-V76 HydrophobicContact CB-CG1 4.22Å; L37-N77 PolarHBondContact N-O 3.26Å; L37-F78 HydrophobicContact CB-CD2 4.47Å; L37-F78 HydrophobicContact CD2-CD2 4.33Å; L37-F78 HydrophobicContact CG-CD2 4.23Å; L37-F78 WeakPolarHBondContact O-CD2 3.38Å; L37-V79 PolarHBondContact O-N 2.82Å
38	I	98.9	Very high	97.4	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	129.4	177	-56	-172.5	0	0	0	109.3	L9 V10 L11 G12 T36 V79 A81 V83 T95 Y100	L9-I38 HydrophobicContact CD1-CD1 3.79Å; L9-I38 HydrophobicContact CD1-CG1 3.93Å; V10-I38 PolarHBondContact O-N 3.29Å; L11-I38 HydrophobicContact CD2-CB 4.13Å; L11-I38 HydrophobicContact CD2-CD1 3.99Å; L11-I38 HydrophobicContact CD2-CG1 4.25Å; G12-I38 WeakPolarHBondContact CA-O 3.5Å; G12-I38 PolarHBondContact N-O 3.17Å; T36-I38 HydrophobicContact CG2-CG1 4.1Å; I38-V79 WeakPolarHBondContact CA-O 3.33Å; I38-V79 HydrophobicContact CG1-CB 4.14Å; I38-V79 HydrophobicContact CG1-CG1 4.44Å; I38-A81 HydrophobicContact CG2-CB 4.16Å; I38-A81 WeakPolarHBondContact CG2-O 3.39Å; I38-V83 HydrophobicContact CG2-CG2 3.93Å; I38-T95 HydrophobicContact CD1-CG2 3.86Å; I38-T95 HydrophobicContact CG2-CG2 4.22Å; I38-Y100 HydrophobicContact CD1-CD1 4.43Å; I38-Y100 HydrophobicContact CD1-CD2 3.76Å; I38-Y100 HydrophobicContact CD1-CE2 4.16Å; I38-Y100 HydrophobicContact CD1-CG 3.93Å
39	N	98.9	Very high	97.5	Very high	21 Å²	21	41.6 Å²	41.6	11%	0.112	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	146.4	172.8	-165.1	55.3	0	0	0	111.4	A13 N41 Y43 F78 V79 Q80 A81	A13-N39 HydrophobicContact CB-CB 3.68Å; A13-N39 VanDerWaalsContact CB-CG 3.49Å; A13-N39 PolarHBondContact N-OD1 3.4Å; N39-N41 VanDerWaalsContact C-N 3.25Å; N39-N41 PolarHBondContact ND2-N 3.3Å; N39-N41 PolarHBondContact ND2-O 3.15Å; N39-N41 PolarHBondContact O-N 2.97Å; N39-Y43 PolarHBondContact ND2-O 2.94Å; N39-Y43 VanDerWaalsContact ND2-O 3.17Å; N39-F78 HydrophobicContact CB-CE2 3.75Å; N39-F78 HydrophobicContact CB-CZ 4.2Å; N39-V79 PolarHBondContact N-O 3.25Å; N39-Q80 CarbonylContact O-C 3.59Å; N39-Q80 VanDerWaalsContact O-CA 3.26Å; N39-Q80 WeakPolarHBondContact O-CA 3.42Å; N39-A81 CarbonylContact C-O 3.37Å; N39-A81 PolarHBondContact O-N 2.79Å; N39-A81 VanDerWaalsContact O-O 3.12Å
40	K	98.5	Very high	97.7	Very high	114 Å²	114	39.6 Å²	39.6	50%	0.496	19%	0.194	S	C	.	.	S	Bend	trans	-61.7	-35.6	179.6	-171.7	165.5	-177.1	163.1	0	112.6	A81 E82	K40-A81 WeakPolarHBondContact CA-O 3.43Å; K40-A81 PolarHBondContact N-O 2.8Å; K40-E82 HydrophobicContact CD-CB 4.49Å; K40-E82 HydrophobicContact CD-CG 4.35Å; K40-E82 WeakPolarHBondContact CE-OE2 3.5Å; K40-E82 HydrophobicContact CG-CB 4.34Å; K40-E82 IonicContact NZ-OE1 3.97Å; K40-E82 PolarHBondContact NZ-OE1 2.83Å; K40-E82 IonicContact NZ-OE2 3.91Å; K40-E82 PolarHBondContact NZ-OE2 2.81Å
41	N	98.6	Very high	98	Very high	34 Å²	34	36.8 Å²	36.8	18%	0.182	18%	0.177	C	C	.	.	S	Bend	trans	-116.1	158.4	-175.9	-54.6	-46.8	0	0	0	111.4	N39 Y43	N39-N41 VanDerWaalsContact C-N 3.25Å; N39-N41 PolarHBondContact ND2-N 3.3Å; N39-N41 PolarHBondContact ND2-O 3.15Å; N39-N41 PolarHBondContact O-N 2.97Å; N41-Y43 HydrophobicContact CB-CD1 3.84Å; N41-Y43 HydrophobicContact CB-CD2 4.29Å; N41-Y43 HydrophobicContact CB-CE1 3.62Å; N41-Y43 HydrophobicContact CB-CE2 4.08Å; N41-Y43 HydrophobicContact CB-CG 4.17Å; N41-Y43 PolarHBondContact ND2-OH 2.91Å; N41-Y43 PolarHBondContact O-N 3.34Å
42	E	98.6	Very high	98.2	Very high	122 Å²	122	30.4 Å²	30.4	57%	0.57	15%	0.147	S	C	*	.	S	Bend	trans	-66.1	-14.8	171.7	65.3	179.4	166	0	0	113.8	V67	E42-V67 PolarHBondContact O-N 2.7Å
43	Y	98.8	Very high	98.5	Very high	31 Å²	31	27.5 Å²	27.5	12%	0.122	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	151.3	-174.1	60.6	-98.8	0	0	0	113.3	N39 N41 Y45 L64 Y65 V67 V131	N39-Y43 PolarHBondContact ND2-O 2.94Å; N39-Y43 VanDerWaalsContact ND2-O 3.17Å; N41-Y43 HydrophobicContact CB-CD1 3.84Å; N41-Y43 HydrophobicContact CB-CD2 4.29Å; N41-Y43 HydrophobicContact CB-CE1 3.62Å; N41-Y43 HydrophobicContact CB-CE2 4.08Å; N41-Y43 HydrophobicContact CB-CG 4.17Å; N41-Y43 PolarHBondContact ND2-OH 2.91Å; N41-Y43 PolarHBondContact O-N 3.34Å; Y43-Y45 HydrophobicContact CD2-CD1 4.18Å; Y43-Y45 AromaticContact CE2-CD1 3.83Å; Y43-Y45 HydrophobicContact CE2-CD1 3.83Å; Y43-Y45 HydrophobicContact CE2-CG 4.37Å; Y43-L64 HydrophobicContact CD2-CB 3.95Å; Y43-L64 HydrophobicContact CD2-CD2 4.19Å; Y43-L64 HydrophobicContact CE2-CD2 4.35Å; Y43-L64 HydrophobicContact CG-CB 4.27Å; Y43-L64 HydrophobicContact CG-CD1 4.27Å; Y43-L64 HydrophobicContact CG-CD2 4.31Å; Y43-Y65 VanDerWaalsContact CA-O 3.32Å; Y43-Y65 WeakPolarHBondContact CA-O 3.39Å; Y43-Y65 WeakPolarHBondContact CB-O 3.39Å; Y43-V67 VanDerWaalsContact C-CG2 3.44Å; Y43-V131 HydrophobicContact CE2-CB 4.23Å; Y43-V131 HydrophobicContact CE2-CG2 3.79Å
44	H	98.8	Very high	98.6	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.009	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	142	156.8	173.2	89.8	0	0	0	108.4	A13 L18 E46 L64 Y65 V67	A13-H44 PolarHBondContact O-ND1 3.46Å; L18-H44 HydrophobicContact CD2-CB 3.71Å; H44-E46 IonicContact CD2-OE1 3.01Å; H44-E46 IonicContact NE2-OE1 2.73Å; H44-E46 PolarHBondContact NE2-OE1 3.1Å; H44-L64 WeakPolarHBondContact O-CA 3.36Å; H44-L64 VanDerWaalsContact O-CB 3.31Å; H44-L64 WeakPolarHBondContact O-CB 3.38Å; H44-Y65 HydrophobicContact CB-CD2 4.22Å; H44-Y65 HydrophobicContact CB-CE2 3.8Å; H44-Y65 AromaticContact CD2-CE1 3.46Å; H44-Y65 VanDerWaalsContact CD2-CE1 3.46Å; H44-Y65 WeakPolarHBondContact CD2-CE1 3.22Å; H44-Y65 AromaticContact CD2-CE2 3.89Å; H44-Y65 AromaticContact CD2-CZ 3.18Å; H44-Y65 PolarHBondContact CD2-OH 2.97Å; H44-Y65 AromaticContact CG-CZ 3.76Å; H44-Y65 PolarHBondContact N-O 2.95Å; H44-Y65 AromaticContact NE2-CZ 3.96Å; H44-Y65 PolarHBondContact NE2-OH 3.27Å; H44-Y65 PolarHBondContact O-N 3.49Å; H44-V67 HydrophobicContact CB-CG2 4.32Å
45	Y	98.7	Very high	98.7	Very high	53 Å²	53	24 Å²	24	21%	0.208	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	142.4	173.9	64.1	-86.3	0	0	0	111.1	Y43 A47 L50 V63 E129 N130 V131	Y43-Y45 HydrophobicContact CD2-CD1 4.18Å; Y43-Y45 AromaticContact CE2-CD1 3.83Å; Y43-Y45 HydrophobicContact CE2-CD1 3.83Å; Y43-Y45 HydrophobicContact CE2-CG 4.37Å; Y45-A47 HydrophobicContact CD2-CB 4.13Å; Y45-A47 HydrophobicContact CE2-CB 3.81Å; Y45-A47 PolarHBondContact O-N 3.35Å; Y45-L50 HydrophobicContact CD2-CD1 4.31Å; Y45-L50 HydrophobicContact CD2-CD2 4.34Å; Y45-L50 HydrophobicContact CE2-CD1 4.03Å; Y45-V63 CarbonylContact C-O 3.59Å; Y45-V63 VanDerWaalsContact CA-O 3.29Å; Y45-V63 WeakPolarHBondContact CA-O 3.45Å; Y45-E129 PolarHBondContact OH-O 2.82Å; Y45-N130 HydrophobicContact CE1-CB 4.48Å; Y45-N130 HydrophobicContact CE2-CB 4.31Å; Y45-V131 HydrophobicContact CD1-CG2 4.47Å; Y45-V131 HydrophobicContact CD2-CG2 4.36Å; Y45-V131 HydrophobicContact CG-CG2 3.89Å
46	E	98.6	Very high	98.7	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.005	13%	0.129	C	C	.	.			trans	-77.4	87.9	176.2	-65.6	-67.7	146.8	0	0	108.8	Y15 H44 T48 W49 V63	Y15-E46 WeakPolarHBondContact CE1-OE2 3.43Å; Y15-E46 VanDerWaalsContact CZ-OE2 3.28Å; Y15-E46 VanDerWaalsContact OH-CA 3.23Å; Y15-E46 WeakPolarHBondContact OH-CA 3.43Å; Y15-E46 PolarHBondContact OH-OE2 3Å; H44-E46 IonicContact CD2-OE1 3.01Å; H44-E46 IonicContact NE2-OE1 2.73Å; H44-E46 PolarHBondContact NE2-OE1 3.1Å; E46-T48 PolarHBondContact O-N 2.84Å; E46-W49 HydrophobicContact CB-CB 4.27Å; E46-W49 HydrophobicContact CB-CD2 3.53Å; E46-W49 HydrophobicContact CB-CE3 3.71Å; E46-W49 HydrophobicContact CB-CG 3.85Å; E46-W49 HydrophobicContact CB-CZ2 4.38Å; E46-W49 HydrophobicContact CB-CZ3 4.24Å; E46-W49 HydrophobicContact CG-CD2 3.98Å; E46-W49 HydrophobicContact CG-CE3 3.86Å; E46-W49 HydrophobicContact CG-CH2 3.92Å; E46-W49 HydrophobicContact CG-CZ2 4.01Å; E46-W49 HydrophobicContact CG-CZ3 3.85Å; E46-W49 PolarHBondContact O-N 2.98Å; E46-V63 PolarHBondContact N-O 2.81Å
47	A	98.3	Very high	98.7	Very high	24 Å²	24	26.7 Å²	26.7	20%	0.198	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-57.5	-25.9	-177.4	0	0	0	0	0	112.7	Y15 Y45 W49 L50 F111	Y15-A47 HydrophobicContact CE2-CB 4Å; Y15-A47 PolarHBondContact OH-N 3.29Å; Y45-A47 HydrophobicContact CD2-CB 4.13Å; Y45-A47 HydrophobicContact CE2-CB 3.81Å; Y45-A47 PolarHBondContact O-N 3.35Å; A47-W49 PolarHBondContact O-N 3.03Å; A47-L50 HydrophobicContact CB-CD1 4.17Å; A47-L50 WeakPolarHBondContact O-CG 3.46Å; A47-L50 PolarHBondContact O-N 3.44Å; A47-F111 HydrophobicContact CB-CE1 4.16Å
48	T	98.1	Very high	98.6	Very high	42 Å²	42	28.6 Å²	28.6	26%	0.258	15%	0.149	S	C	.	.	G	3₁₀ helix	trans	-74.1	-4.5	176.2	61.4	0	0	0	0	113.8	Y15 E46 H51 A319	Y15-T48 HydrophobicContact CE2-CG2 3.95Å; Y15-T48 PolarHBondContact OH-N 2.83Å; Y15-T48 PolarHBondContact OH-OG1 2.9Å; E46-T48 PolarHBondContact O-N 2.84Å; T48-H51 PolarHBondContact O-CE1 3.5Å; T48-H51 PolarHBondContact O-ND1 3.05Å; T48-H51 VanDerWaalsContact O-ND1 3.16Å; T48-A319 HydrophobicContact CG2-CB 3.62Å
49	W	98.6	Very high	98.6	Very high	3 Å²	3	32.3 Å²	32.3	1%	0.011	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-113	5.7	177.1	-53.5	-11.5	0	0	0	111.9	E46 A47 H51 E52 A53 V63 D383 V387 K399 K401	E46-W49 HydrophobicContact CB-CB 4.27Å; E46-W49 HydrophobicContact CB-CD2 3.53Å; E46-W49 HydrophobicContact CB-CE3 3.71Å; E46-W49 HydrophobicContact CB-CG 3.85Å; E46-W49 HydrophobicContact CB-CZ2 4.38Å; E46-W49 HydrophobicContact CB-CZ3 4.24Å; E46-W49 HydrophobicContact CG-CD2 3.98Å; E46-W49 HydrophobicContact CG-CE3 3.86Å; E46-W49 HydrophobicContact CG-CH2 3.92Å; E46-W49 HydrophobicContact CG-CZ2 4.01Å; E46-W49 HydrophobicContact CG-CZ3 3.85Å; E46-W49 PolarHBondContact O-N 2.98Å; A47-W49 PolarHBondContact O-N 3.03Å; W49-H51 PolarHBondContact O-N 2.87Å; W49-E52 WeakPolarHBondContact CB-OE1 3.36Å; W49-E52 PolarHBondContact O-N 2.83Å; W49-E52 VanDerWaalsContact O-N 3.13Å; W49-A53 PolarHBondContact O-N 3.02Å; W49-V63 HydrophobicContact CB-CB 4.44Å; W49-V63 HydrophobicContact CB-CG1 3.81Å; W49-V63 HydrophobicContact CE3-CB 4.48Å; W49-V63 HydrophobicContact CE3-CG1 4.28Å; W49-D383 HydrophobicContact CZ2-CB 3.64Å; W49-D383 PolarHBondContact NE1-OD1 2.86Å; W49-D383 PolarHBondContact NE1-OD2 3.31Å; W49-V387 HydrophobicContact CH2-CG2 3.76Å; W49-V387 HydrophobicContact CZ2-CG2 4.12Å; W49-K399 WeakPolarHBondContact CH2-O 3.43Å; W49-K399 WeakPolarHBondContact CZ3-O 3.47Å; W49-K401 HydrophobicContact CH2-CD 4.34Å; W49-K401 HydrophobicContact CH2-CG 4.39Å; W49-K401 HydrophobicContact CZ2-CD 4.42Å; W49-K401 HydrophobicContact CZ2-CG 4.23Å; W49-K401 HydrophobicContact CZ3-CD 4.4Å
50	L	98.7	Very high	98.5	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-64.4	-21.3	179.8	-71.3	172.6	0	0	0	112.7	Y45 A47 S54 I128 E129 A134	Y45-L50 HydrophobicContact CD2-CD1 4.31Å; Y45-L50 HydrophobicContact CD2-CD2 4.34Å; Y45-L50 HydrophobicContact CE2-CD1 4.03Å; A47-L50 HydrophobicContact CB-CD1 4.17Å; A47-L50 WeakPolarHBondContact O-CG 3.46Å; A47-L50 PolarHBondContact O-N 3.44Å; L50-S54 WeakPolarHBondContact O-CB 2.96Å; L50-S54 PolarHBondContact O-N 3.46Å; L50-S54 PolarHBondContact O-OG 3.19Å; L50-I128 HydrophobicContact CB-CG2 3.53Å; L50-I128 HydrophobicContact CD1-CG2 4.47Å; L50-E129 VanDerWaalsContact CD1-C 3.48Å; L50-E129 WeakPolarHBondContact CD1-O 3.21Å; L50-A134 HydrophobicContact CD2-CB 4.08Å
51	H	98.7	Very high	98.5	Very high	6 Å²	6	33.5 Å²	33.5	3%	0.028	17%	0.173	C	C	.	.	H	α-helix	trans	-63.5	-43	172.5	54.1	-94.6	0	0	0	111.6	T48 W49 S54 A55 E172 F173 E176 S355	T48-H51 PolarHBondContact O-CE1 3.5Å; T48-H51 PolarHBondContact O-ND1 3.05Å; T48-H51 VanDerWaalsContact O-ND1 3.16Å; W49-H51 PolarHBondContact O-N 2.87Å; H51-S54 PolarHBondContact O-N 3.38Å; H51-A55 WeakPolarHBondContact O-CB 3.43Å; H51-A55 PolarHBondContact O-N 3.18Å; H51-E172 HydrophobicContact CB-CB 3.99Å; H51-E172 IonicContact CE1-OE1 2.91Å; H51-E172 PolarHBondContact CE1-OE1 2.81Å; H51-E172 IonicContact CE1-OE2 3.97Å; H51-E172 PolarHBondContact CE1-OE2 2.84Å; H51-E172 IonicContact ND1-OE2 3.21Å; H51-E172 PolarHBondContact ND1-OE2 3.25Å; H51-E172 VanDerWaalsContact ND1-OE2 3.13Å; H51-E172 IonicContact NE2-OE1 2.75Å; H51-F173 HydrophobicContact CB-CB 4.25Å; H51-E176 HydrophobicContact CB-CG 4.43Å; H51-E176 IonicContact CD2-OE1 3.62Å; H51-S355 PolarHBondContact NE2-OG 2.73Å
52	E	98.8	Very high	98.5	Very high	29 Å²	29	35.5 Å²	35.5	14%	0.136	18%	0.184	C	C	.	.	H	α-helix	trans	-65.1	-47.3	177	-61.7	164.5	-89.5	0	0	110.9	W49 S54 A55 G56 T57 L58 E176 K401	W49-E52 WeakPolarHBondContact CB-OE1 3.36Å; W49-E52 PolarHBondContact O-N 2.83Å; W49-E52 VanDerWaalsContact O-N 3.13Å; E52-S54 VanDerWaalsContact C-N 3.34Å; E52-S54 PolarHBondContact O-N 2.94Å; E52-A55 PolarHBondContact O-N 3.36Å; E52-G56 PolarHBondContact O-N 3.17Å; E52-T57 VanDerWaalsContact CA-OG1 3.32Å; E52-T57 WeakPolarHBondContact CA-OG1 3.18Å; E52-T57 PolarHBondContact O-N 2.81Å; E52-T57 VanDerWaalsContact O-N 3.07Å; E52-T57 PolarHBondContact O-OG1 3.39Å; E52-L58 HydrophobicContact CB-CB 3.59Å; E52-L58 HydrophobicContact CB-CD2 4.12Å; E52-L58 PolarHBondContact O-N 3.13Å; E52-E176 HydrophobicContact CG-CG 4.14Å; E52-K401 IonicContact OE1-NZ 2.79Å; E52-K401 PolarHBondContact OE1-NZ 3.29Å; E52-K401 IonicContact OE2-NZ 2.74Å; E52-K401 PolarHBondContact OE2-NZ 3.41Å
53	A	98.7	Very high	98.5	Very high	3 Å²	3	29.8 Å²	29.8	3%	0.025	16%	0.157	C	C	.	.	H	α-helix	trans	-66.7	-34.3	178.7	0	0	0	0	0	112.9	W49 G56 V63 A134 S138	W49-A53 PolarHBondContact O-N 3.02Å; A53-G56 PolarHBondContact O-N 2.89Å; A53-V63 HydrophobicContact CB-CG1 4.11Å; A53-V63 HydrophobicContact CB-CG2 4.29Å; A53-A134 HydrophobicContact CB-CB 3.92Å; A53-S138 WeakPolarHBondContact O-CB 3.09Å; A53-S138 PolarHBondContact O-OG 3.06Å
54	S	98.8	Very high	98.5	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-72.6	-36.1	178.4	-63.7	0	0	0	0	112.2	L50 H51 E52 G56 A134 S138	L50-S54 WeakPolarHBondContact O-CB 2.96Å; L50-S54 PolarHBondContact O-N 3.46Å; L50-S54 PolarHBondContact O-OG 3.19Å; H51-S54 PolarHBondContact O-N 3.38Å; E52-S54 VanDerWaalsContact C-N 3.34Å; E52-S54 PolarHBondContact O-N 2.94Å; S54-G56 VanDerWaalsContact C-N 3.33Å; S54-A134 WeakPolarHBondContact OG-CA 3.31Å; S54-A134 WeakPolarHBondContact OG-CB 3.39Å; S54-S138 VanDerWaalsContact O-CA 3.26Å; S54-S138 WeakPolarHBondContact O-CA 3.46Å; S54-S138 WeakPolarHBondContact O-CB 3.4Å; S54-S138 PolarHBondContact O-N 3.06Å
55	A	98.8	Very high	98.5	Very high	2 Å²	2	29.8 Å²	29.8	2%	0.017	16%	0.159	C	C	.	.	H	α-helix	trans	-76.8	-23.2	174.4	0	0	0	0	0	111.9	H51 E52 T57 F173 E176 L177 R180	H51-A55 WeakPolarHBondContact O-CB 3.43Å; H51-A55 PolarHBondContact O-N 3.18Å; E52-A55 PolarHBondContact O-N 3.36Å; A55-T57 HydrophobicContact CB-CG2 4.44Å; A55-F173 HydrophobicContact CB-CD2 4.39Å; A55-F173 HydrophobicContact CB-CE2 4.08Å; A55-E176 HydrophobicContact CB-CB 3.43Å; A55-E176 VanDerWaalsContact CB-CB 3.43Å; A55-L177 HydrophobicContact CB-CD2 4.31Å; A55-R180 VanDerWaalsContact O-CG 3.28Å; A55-R180 WeakPolarHBondContact O-CG 3.26Å
56	G	98.6	Very high	98.5	Very high	23 Å²	23	31 Å²	31	24%	0.237	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.8	19.7	-176.4	0	0	0	0	0	113.6	E52 A53 S54 L58 R180	E52-G56 PolarHBondContact O-N 3.17Å; A53-G56 PolarHBondContact O-N 2.89Å; S54-G56 VanDerWaalsContact C-N 3.33Å; G56-L58 VanDerWaalsContact C-N 3.34Å; G56-R180 PolarHBondContact O-NE 3.33Å
57	T	98.6	Very high	98.5	Very high	49 Å²	49	30.9 Å²	30.9	30%	0.301	17%	0.173	S	C	.	.	S	Bend	trans	-80.6	-18.1	170.5	50.9	0	0	0	0	112.1	E52 A55 E176 D179 R180	E52-T57 VanDerWaalsContact CA-OG1 3.32Å; E52-T57 WeakPolarHBondContact CA-OG1 3.18Å; E52-T57 PolarHBondContact O-N 2.81Å; E52-T57 VanDerWaalsContact O-N 3.07Å; E52-T57 PolarHBondContact O-OG1 3.39Å; A55-T57 HydrophobicContact CB-CG2 4.44Å; T57-E176 VanDerWaalsContact CB-OE2 3.32Å; T57-E176 WeakPolarHBondContact CB-OE2 3.38Å; T57-E176 HydrophobicContact CG2-CB 4.33Å; T57-E176 PolarHBondContact OG1-OE2 3.39Å; T57-D179 HydrophobicContact CG2-CB 4.33Å; T57-R180 HydrophobicContact CG2-CB 3.94Å
58	L	98.2	Very high	98.5	Very high	40 Å²	40	33.9 Å²	33.9	21%	0.209	18%	0.183	C	C	.	.	S	Bend	trans	-129.8	140.6	175.3	-172.9	62.3	0	0	0	110.9	E52 G56 Y60 D62 V63	E52-L58 HydrophobicContact CB-CB 3.59Å; E52-L58 HydrophobicContact CB-CD2 4.12Å; E52-L58 PolarHBondContact O-N 3.13Å; G56-L58 VanDerWaalsContact C-N 3.34Å; L58-Y60 PolarHBondContact O-N 3.16Å; L58-D62 HydrophobicContact CD1-CB 3.84Å; L58-D62 HydrophobicContact CD2-CB 4.49Å; L58-D62 HydrophobicContact CG-CB 4.09Å; L58-V63 HydrophobicContact CD2-CG1 3.47Å; L58-V63 VanDerWaalsContact CD2-CG1 3.47Å; L58-V63 HydrophobicContact CG-CG1 4.2Å
59	N	98.1	Very high	98.5	Very high	79 Å²	79	35.4 Å²	35.4	42%	0.422	20%	0.195	S	C	.	.			trans	-66.6	135	174	-172.8	-37.9	0	0	0	109.6	E61 D62	N59-E61 PolarHBondContact O-N 3.07Å; N59-E61 VanDerWaalsContact O-N 3.1Å; N59-E61 WeakPolarHBondContact OD1-CB 3.37Å; N59-E61 PolarHBondContact OD1-N 2.98Å; N59-D62 WeakPolarHBondContact O-CB 3.17Å; N59-D62 PolarHBondContact O-N 3.21Å
60	Y	97.8	Very high	98.5	Very high	63 Å²	63	36.1 Å²	36.1	25%	0.247	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-25.2	179.3	81.3	-88.4	0	0	0	113.4	L58 D62 V63 L64 V131 R135	L58-Y60 PolarHBondContact O-N 3.16Å; Y60-D62 PolarHBondContact O-N 3.4Å; Y60-V63 WeakPolarHBondContact O-CG2 3.49Å; Y60-L64 HydrophobicContact CD2-CD2 4.15Å; Y60-L64 VanDerWaalsContact O-CD2 3.26Å; Y60-L64 WeakPolarHBondContact O-CD2 3.45Å; Y60-V131 HydrophobicContact CD2-CG1 3.64Å; Y60-V131 HydrophobicContact CG-CG1 4.25Å; Y60-R135 HydrophobicContact CD1-CG 3.86Å; Y60-R135 HydrophobicContact CD2-CG 4.11Å; Y60-R135 VanDerWaalsContact CG-CD 3.46Å; Y60-R135 HydrophobicContact CG-CG 3.57Å
61	E	98.1	Very high	98.5	Very high	96 Å²	96	37 Å²	37	45%	0.449	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-22.8	176.8	-65.9	171.3	-167.6	0	0	112.1	N59 K399	N59-E61 PolarHBondContact O-N 3.07Å; N59-E61 VanDerWaalsContact O-N 3.1Å; N59-E61 WeakPolarHBondContact OD1-CB 3.37Å; N59-E61 PolarHBondContact OD1-N 2.98Å; E61-K399 PolarHBondContact O-NZ 2.71Å
62	D	98.2	Very high	98.4	Very high	77 Å²	77	41.2 Å²	41.2	41%	0.412	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-22.5	-179.8	-65.6	-36.3	0	0	0	112.9	L58 N59 Y60 L64 K399	L58-D62 HydrophobicContact CD1-CB 3.84Å; L58-D62 HydrophobicContact CD2-CB 4.49Å; L58-D62 HydrophobicContact CG-CB 4.09Å; N59-D62 WeakPolarHBondContact O-CB 3.17Å; N59-D62 PolarHBondContact O-N 3.21Å; Y60-D62 PolarHBondContact O-N 3.4Å; D62-L64 VanDerWaalsContact C-N 3.26Å; D62-L64 PolarHBondContact O-N 3.45Å; D62-K399 IonicContact OD1-NZ 2.81Å
63	V	98.3	Very high	98.4	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.006	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	3.4	175.4	-55.5	0	0	0	0	113.6	Y45 E46 W49 A53 L58 Y60 V131	Y45-V63 CarbonylContact C-O 3.59Å; Y45-V63 VanDerWaalsContact CA-O 3.29Å; Y45-V63 WeakPolarHBondContact CA-O 3.45Å; E46-V63 PolarHBondContact N-O 2.81Å; W49-V63 HydrophobicContact CB-CB 4.44Å; W49-V63 HydrophobicContact CB-CG1 3.81Å; W49-V63 HydrophobicContact CE3-CB 4.48Å; W49-V63 HydrophobicContact CE3-CG1 4.28Å; A53-V63 HydrophobicContact CB-CG1 4.11Å; A53-V63 HydrophobicContact CB-CG2 4.29Å; L58-V63 HydrophobicContact CD2-CG1 3.47Å; L58-V63 VanDerWaalsContact CD2-CG1 3.47Å; L58-V63 HydrophobicContact CG-CG1 4.2Å; Y60-V63 WeakPolarHBondContact O-CG2 3.49Å; V63-V131 HydrophobicContact CG2-CG2 4.15Å
64	L	98.6	Very high	98.3	Very high	29 Å²	29	51.2 Å²	51.2	15%	0.152	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	157.7	-175.4	66.3	86.6	0	0	0	114.2	Y43 H44 Y60 D62 V131 K399	Y43-L64 HydrophobicContact CD2-CB 3.95Å; Y43-L64 HydrophobicContact CD2-CD2 4.19Å; Y43-L64 HydrophobicContact CE2-CD2 4.35Å; Y43-L64 HydrophobicContact CG-CB 4.27Å; Y43-L64 HydrophobicContact CG-CD1 4.27Å; Y43-L64 HydrophobicContact CG-CD2 4.31Å; H44-L64 WeakPolarHBondContact O-CA 3.36Å; H44-L64 VanDerWaalsContact O-CB 3.31Å; H44-L64 WeakPolarHBondContact O-CB 3.38Å; Y60-L64 HydrophobicContact CD2-CD2 4.15Å; Y60-L64 VanDerWaalsContact O-CD2 3.26Å; Y60-L64 WeakPolarHBondContact O-CD2 3.45Å; D62-L64 VanDerWaalsContact C-N 3.26Å; D62-L64 PolarHBondContact O-N 3.45Å; L64-V131 HydrophobicContact CD2-CB 4.49Å; L64-V131 HydrophobicContact CD2-CG1 3.79Å; L64-V131 HydrophobicContact CD2-CG2 4.03Å; L64-K399 WeakPolarHBondContact O-CE 3.33Å; L64-K399 PolarHBondContact O-NZ 2.63Å
65	Y	98.7	Very high	98.2	Very high	5 Å²	5	52.9 Å²	52.9	2%	0.02	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	151.7	171.1	51.5	-93.3	0	0	0	111.8	L18 Y43 H44 V67 V70 L395 K399	L18-Y65 HydrophobicContact CD2-CE2 4.07Å; Y43-Y65 VanDerWaalsContact CA-O 3.32Å; Y43-Y65 WeakPolarHBondContact CA-O 3.39Å; Y43-Y65 WeakPolarHBondContact CB-O 3.39Å; H44-Y65 HydrophobicContact CB-CD2 4.22Å; H44-Y65 HydrophobicContact CB-CE2 3.8Å; H44-Y65 AromaticContact CD2-CE1 3.46Å; H44-Y65 VanDerWaalsContact CD2-CE1 3.46Å; H44-Y65 WeakPolarHBondContact CD2-CE1 3.22Å; H44-Y65 AromaticContact CD2-CE2 3.89Å; H44-Y65 AromaticContact CD2-CZ 3.18Å; H44-Y65 PolarHBondContact CD2-OH 2.97Å; H44-Y65 AromaticContact CG-CZ 3.76Å; H44-Y65 PolarHBondContact N-O 2.95Å; H44-Y65 AromaticContact NE2-CZ 3.96Å; H44-Y65 PolarHBondContact NE2-OH 3.27Å; H44-Y65 PolarHBondContact O-N 3.49Å; Y65-V67 PolarHBondContact O-N 2.94Å; Y65-V70 HydrophobicContact CE2-CG1 4.42Å; Y65-L395 HydrophobicContact CD1-CD2 4.17Å; Y65-L395 HydrophobicContact CD2-CD2 3.82Å; Y65-L395 HydrophobicContact CE1-CD2 4.04Å; Y65-L395 HydrophobicContact CE2-CD2 3.67Å; Y65-L395 HydrophobicContact CG-CD1 4.22Å; Y65-L395 HydrophobicContact CG-CD2 4.06Å; Y65-K399 HydrophobicContact CD1-CG 4.45Å
66	P	98.6	Very high	98.2	Very high	77 Å²	77	53 Å²	53	50%	0.5	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	132	179.9	-22.3	33.2	0	0	0	111.7	E68 S69	P66-E68 VanDerWaalsContact C-N 3.31Å; P66-E68 PolarHBondContact O-N 3.23Å; P66-S69 WeakPolarHBondContact O-CB 3.38Å; P66-S69 PolarHBondContact O-N 2.84Å; P66-S69 PolarHBondContact O-OG 3.26Å
67	V	98.8	Very high	98.2	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-59	-45.4	-178.4	175.7	0	0	0	0	110.6	A13 L18 L37 E42 Y43 H44 Y65 S69 V70 L71 F78	A13-V67 HydrophobicContact CB-CG1 4.11Å; A13-V67 HydrophobicContact CB-CG2 3.83Å; L18-V67 HydrophobicContact CD1-CG1 3.99Å; L37-V67 HydrophobicContact CD2-CG1 3.63Å; E42-V67 PolarHBondContact O-N 2.7Å; Y43-V67 VanDerWaalsContact C-CG2 3.44Å; H44-V67 HydrophobicContact CB-CG2 4.32Å; Y65-V67 PolarHBondContact O-N 2.94Å; V67-S69 PolarHBondContact O-N 3.44Å; V67-V70 VanDerWaalsContact O-CG2 3.29Å; V67-V70 WeakPolarHBondContact O-CG2 3.39Å; V67-V70 PolarHBondContact O-N 3.1Å; V67-L71 HydrophobicContact CG1-CD1 4.09Å; V67-L71 HydrophobicContact CG1-CG 4.49Å; V67-F78 HydrophobicContact CB-CD2 4.29Å; V67-F78 HydrophobicContact CB-CE1 4.45Å; V67-F78 HydrophobicContact CB-CE2 3.88Å; V67-F78 HydrophobicContact CB-CZ 3.97Å; V67-F78 HydrophobicContact CG1-CD2 3.76Å; V67-F78 HydrophobicContact CG1-CE2 3.7Å; V67-F78 HydrophobicContact CG1-CG 4.43Å; V67-F78 HydrophobicContact CG1-CZ 4.3Å; V67-F78 HydrophobicContact CG2-CE2 4.11Å; V67-F78 HydrophobicContact CG2-CZ 4.13Å
68	E	98.4	Very high	98.2	Very high	87 Å²	87	54.9 Å²	54.9	41%	0.407	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-59.8	-20.9	-177.4	-66.7	-172.5	79.4	0	0	114.1	P66 V70 L71 K73 F78	P66-E68 VanDerWaalsContact C-N 3.31Å; P66-E68 PolarHBondContact O-N 3.23Å; E68-V70 PolarHBondContact O-N 3.1Å; E68-L71 PolarHBondContact O-N 3.31Å; E68-K73 VanDerWaalsContact OE1-CE 3.29Å; E68-K73 WeakPolarHBondContact OE1-CE 3.31Å; E68-K73 IonicContact OE1-NZ 2.9Å; E68-K73 PolarHBondContact OE1-NZ 2.95Å; E68-F78 HydrophobicContact CG-CB 4.08Å; E68-F78 HydrophobicContact CG-CD1 3.51Å; E68-F78 HydrophobicContact CG-CE1 4.27Å; E68-F78 HydrophobicContact CG-CG 4.01Å
69	S	98.1	Very high	98.2	Very high	73 Å²	73	53.6 Å²	53.6	51%	0.51	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-66.9	-17.8	-178.4	71.3	0	0	0	0	114	P66 V67	P66-S69 WeakPolarHBondContact O-CB 3.38Å; P66-S69 PolarHBondContact O-N 2.84Å; P66-S69 PolarHBondContact O-OG 3.26Å; V67-S69 PolarHBondContact O-N 3.44Å
70	V	98.5	Very high	98.3	Very high	18 Å²	18	54.8 Å²	54.8	11%	0.109	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-110.1	3.8	179.5	-59.4	0	0	0	0	113.5	L18 T22 Q25 Y65 V67 E68 I390 L395	L18-V70 HydrophobicContact CD1-CG2 3.84Å; L18-V70 HydrophobicContact CD2-CG2 4.13Å; L18-V70 HydrophobicContact CG-CG2 4.22Å; T22-V70 HydrophobicContact CG2-CB 4.08Å; T22-V70 HydrophobicContact CG2-CG2 3.74Å; Q25-V70 PolarHBondContact NE2-O 2.85Å; Y65-V70 HydrophobicContact CE2-CG1 4.42Å; V67-V70 VanDerWaalsContact O-CG2 3.29Å; V67-V70 WeakPolarHBondContact O-CG2 3.39Å; V67-V70 PolarHBondContact O-N 3.1Å; E68-V70 PolarHBondContact O-N 3.1Å; V70-I390 HydrophobicContact CG2-CG2 4.25Å; V70-L395 HydrophobicContact CG1-CD2 3.82Å
71	L	98.6	Very high	98.3	Very high	21 Å²	21	52 Å²	52	11%	0.11	27%	0.266	C	S	.	.			trans	-97.6	143.5	-175	-55.7	-175.4	0	0	0	112.9	L18 V21 L37 V67 E68 K73 V76 F78	L18-L71 HydrophobicContact CD1-CD2 4.2Å; V21-L71 HydrophobicContact CG1-CD2 3.69Å; L37-L71 HydrophobicContact CD2-CD1 4.45Å; L37-L71 HydrophobicContact CD2-CD2 4.37Å; V67-L71 HydrophobicContact CG1-CD1 4.09Å; V67-L71 HydrophobicContact CG1-CG 4.49Å; E68-L71 PolarHBondContact O-N 3.31Å; L71-K73 PolarHBondContact O-N 2.89Å; L71-V76 HydrophobicContact CB-CB 4.39Å; L71-V76 HydrophobicContact CD1-CB 4.42Å; L71-V76 HydrophobicContact CD1-CG1 3.84Å; L71-V76 HydrophobicContact CD2-CG1 4.21Å; L71-V76 HydrophobicContact CG-CG1 4.43Å; L71-F78 HydrophobicContact CD1-CB 3.81Å; L71-F78 HydrophobicContact CD1-CG 4.39Å
72	K	98.1	Very high	98.3	Very high	93 Å²	93	51.2 Å²	51.2	40%	0.404	26%	0.262	S	S	.	.			trans	-85.2	94.4	163.7	-69.9	178.5	175.2	-73.4	0	107.9	Q25 D74 K75 V76	Q25-K72 HydrophobicContact CB-CB 4.45Å; Q25-K72 HydrophobicContact CB-CD 4.28Å; Q25-K72 HydrophobicContact CG-CD 4.07Å; Q25-K72 HydrophobicContact CG-CG 4.32Å; K72-D74 PolarHBondContact O-N 3.49Å; K72-D74 VanDerWaalsContact O-N 3.12Å; K72-K75 HydrophobicContact CB-CB 4.5Å; K72-K75 HydrophobicContact CD-CD 4.37Å; K72-K75 PolarHBondContact O-N 3.05Å; K72-V76 PolarHBondContact O-N 3.21Å
73	K	97.3	Very high	98.4	Very high	137 Å²	137	48.2 Å²	48.2	60%	0.596	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62	-18.9	-171.1	-63.1	-161.9	-178.5	-162.1	0	114.6	E68 L71 K75	E68-K73 VanDerWaalsContact OE1-CE 3.29Å; E68-K73 WeakPolarHBondContact OE1-CE 3.31Å; E68-K73 IonicContact OE1-NZ 2.9Å; E68-K73 PolarHBondContact OE1-NZ 2.95Å; L71-K73 PolarHBondContact O-N 2.89Å; K73-K75 PolarHBondContact O-N 3.43Å
74	D	96.8	Very high	98.4	Very high	105 Å²	105	51.4 Å²	51.4	56%	0.561	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-18.5	170.7	56.4	-64.3	0	0	0	113.4	T30 K72	T30-D74 HydrophobicContact CG2-CB 4.49Å; K72-D74 PolarHBondContact O-N 3.49Å; K72-D74 VanDerWaalsContact O-N 3.12Å
75	K	97	Very high	98.4	Very high	35 Å²	35	55 Å²	55	15%	0.152	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.6	-28.8	-177.8	-63.6	-179.6	-172.1	-173.3	0	114.1	Q25 I28 T30 I35 K72 K73	Q25-K75 VanDerWaalsContact O-CD 3.27Å; Q25-K75 WeakPolarHBondContact O-CD 3.21Å; Q25-K75 PolarHBondContact O-NZ 2.85Å; I28-K75 WeakPolarHBondContact O-CE 3.4Å; I28-K75 PolarHBondContact O-NZ 2.85Å; T30-K75 HydrophobicContact CG2-CG 3.76Å; I35-K75 PolarHBondContact N-O 2.81Å; K72-K75 HydrophobicContact CB-CB 4.5Å; K72-K75 HydrophobicContact CD-CD 4.37Å; K72-K75 PolarHBondContact O-N 3.05Å; K73-K75 PolarHBondContact O-N 3.43Å
76	V	98.6	Very high	98.4	Very high	6 Å²	6	55 Å²	55	4%	0.036	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	118.9	-171.5	-173	0	0	0	0	109.9	V21 Q25 I35 L37 L71 K72	V21-V76 HydrophobicContact CG1-CB 4.47Å; V21-V76 HydrophobicContact CG1-CG1 3.83Å; V21-V76 HydrophobicContact CG1-CG2 3.81Å; Q25-V76 HydrophobicContact CB-CG2 4.02Å; I35-V76 HydrophobicContact CB-CG1 4.46Å; I35-V76 HydrophobicContact CB-CG2 4.13Å; I35-V76 HydrophobicContact CD1-CG2 4.04Å; I35-V76 HydrophobicContact CG2-CG1 4.13Å; I35-V76 HydrophobicContact CG2-CG2 4.28Å; I35-V76 CarbonylContact O-C 3.59Å; I35-V76 WeakPolarHBondContact O-CA 3.34Å; L37-V76 HydrophobicContact CB-CG1 4.22Å; L71-V76 HydrophobicContact CB-CB 4.39Å; L71-V76 HydrophobicContact CD1-CB 4.42Å; L71-V76 HydrophobicContact CD1-CG1 3.84Å; L71-V76 HydrophobicContact CD2-CG1 4.21Å; L71-V76 HydrophobicContact CG-CG1 4.43Å; K72-V76 PolarHBondContact O-N 3.21Å
77	N	98.5	Very high	98.4	Very high	78 Å²	78	54.2 Å²	54.2	42%	0.417	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	121	165.2	-178.9	27.1	0	0	0	109.3	I35 T36 L37	I35-N77 PolarHBondContact O-N 2.63Å; T36-N77 CarbonylContact C-O 3.56Å; T36-N77 WeakPolarHBondContact CA-O 3.37Å; L37-N77 PolarHBondContact N-O 3.26Å
78	F	98.8	Very high	98.3	Very high	32 Å²	32	56.4 Å²	56.4	14%	0.14	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	128.5	174.3	176.4	-116.2	0	0	0	110.1	L37 N39 V67 E68 L71 Q80	L37-F78 HydrophobicContact CB-CD2 4.47Å; L37-F78 HydrophobicContact CD2-CD2 4.33Å; L37-F78 HydrophobicContact CG-CD2 4.23Å; L37-F78 WeakPolarHBondContact O-CD2 3.38Å; N39-F78 HydrophobicContact CB-CE2 3.75Å; N39-F78 HydrophobicContact CB-CZ 4.2Å; V67-F78 HydrophobicContact CB-CD2 4.29Å; V67-F78 HydrophobicContact CB-CE1 4.45Å; V67-F78 HydrophobicContact CB-CE2 3.88Å; V67-F78 HydrophobicContact CB-CZ 3.97Å; V67-F78 HydrophobicContact CG1-CD2 3.76Å; V67-F78 HydrophobicContact CG1-CE2 3.7Å; V67-F78 HydrophobicContact CG1-CG 4.43Å; V67-F78 HydrophobicContact CG1-CZ 4.3Å; V67-F78 HydrophobicContact CG2-CE2 4.11Å; V67-F78 HydrophobicContact CG2-CZ 4.13Å; E68-F78 HydrophobicContact CG-CB 4.08Å; E68-F78 HydrophobicContact CG-CD1 3.51Å; E68-F78 HydrophobicContact CG-CE1 4.27Å; E68-F78 HydrophobicContact CG-CG 4.01Å; L71-F78 HydrophobicContact CD1-CB 3.81Å; L71-F78 HydrophobicContact CD1-CG 4.39Å; F78-Q80 HydrophobicContact CE1-CB 4.22Å; F78-Q80 HydrophobicContact CZ-CB 4.36Å
79	V	98.9	Very high	98.3	Very high	14 Å²	14	57.5 Å²	57.5	9%	0.085	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	113.6	179.7	175.3	0	0	0	0	108.5	T36 L37 I38 N39 A81 Y100	T36-V79 HydrophobicContact CG2-CG2 3.86Å; L37-V79 PolarHBondContact O-N 2.82Å; I38-V79 WeakPolarHBondContact CA-O 3.33Å; I38-V79 HydrophobicContact CG1-CB 4.14Å; I38-V79 HydrophobicContact CG1-CG1 4.44Å; N39-V79 PolarHBondContact N-O 3.25Å; V79-A81 HydrophobicContact CG1-CB 3.81Å; V79-A81 PolarHBondContact O-N 2.85Å; V79-Y100 HydrophobicContact CG1-CE1 4.38Å; V79-Y100 HydrophobicContact CG1-CE2 4.33Å; V79-Y100 WeakPolarHBondContact CG1-OH 3.43Å; V79-Y100 HydrophobicContact CG2-CE1 3.88Å
80	Q	98.8	Very high	98.3	Very high	103 Å²	103	56.4 Å²	56.4	48%	0.481	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	99.2	169.2	-173.6	-177	-2.7	0	0	109.6	N39 F78	N39-Q80 CarbonylContact O-C 3.59Å; N39-Q80 VanDerWaalsContact O-CA 3.26Å; N39-Q80 WeakPolarHBondContact O-CA 3.42Å; F78-Q80 HydrophobicContact CE1-CB 4.22Å; F78-Q80 HydrophobicContact CZ-CB 4.36Å
81	A	98.8	Very high	98.3	Very high	4 Å²	4	59.7 Å²	59.7	3%	0.033	30%	0.298	C	S	.	.			trans	-154.6	154.2	179.4	0	0	0	0	0	111.3	I38 N39 K40 V79 T95 N96 Q97	I38-A81 HydrophobicContact CG2-CB 4.16Å; I38-A81 WeakPolarHBondContact CG2-O 3.39Å; N39-A81 CarbonylContact C-O 3.37Å; N39-A81 PolarHBondContact O-N 2.79Å; N39-A81 VanDerWaalsContact O-O 3.12Å; K40-A81 WeakPolarHBondContact CA-O 3.43Å; K40-A81 PolarHBondContact N-O 2.8Å; V79-A81 HydrophobicContact CG1-CB 3.81Å; V79-A81 PolarHBondContact O-N 2.85Å; A81-T95 HydrophobicContact CB-CG2 4.17Å; A81-N96 WeakPolarHBondContact CA-OD1 3.46Å; A81-N96 WeakPolarHBondContact CB-OD1 3.44Å; A81-Q97 HydrophobicContact CB-CB 3.92Å; A81-Q97 HydrophobicContact CB-CG 3.91Å
82	E	98.8	Very high	98.3	Very high	80 Å²	80	63 Å²	63	37%	0.374	31%	0.311	S	S	.	.			trans	-91.1	121.3	171.3	177.9	160.6	-157.7	0	0	109.4	K40 T95 N96	K40-E82 HydrophobicContact CD-CB 4.49Å; K40-E82 HydrophobicContact CD-CG 4.35Å; K40-E82 WeakPolarHBondContact CE-OE2 3.5Å; K40-E82 HydrophobicContact CG-CB 4.34Å; K40-E82 IonicContact NZ-OE1 3.97Å; K40-E82 PolarHBondContact NZ-OE1 2.83Å; K40-E82 IonicContact NZ-OE2 3.91Å; K40-E82 PolarHBondContact NZ-OE2 2.81Å; E82-T95 CarbonylContact O-C 3.59Å; E82-T95 WeakPolarHBondContact O-CA 3.3Å; E82-T95 WeakPolarHBondContact O-CB 3.28Å; E82-N96 PolarHBondContact N-OD1 3.43Å; E82-N96 PolarHBondContact O-N 2.84Å
83	V	98.8	Very high	98.4	Very high	15 Å²	15	58.5 Å²	58.5	9%	0.091	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	132.7	172.9	179.3	0	0	0	0	108.9	L11 I38 I86 V93 T95 L109 L270	L11-V83 HydrophobicContact CB-CG2 4.47Å; L11-V83 HydrophobicContact CD1-CG1 4.35Å; L11-V83 HydrophobicContact CD1-CG2 4.38Å; L11-V83 HydrophobicContact CD2-CG2 4.05Å; I38-V83 HydrophobicContact CG2-CG2 3.93Å; V83-I86 HydrophobicContact CG1-CG1 4.15Å; V83-V93 HydrophobicContact CG1-CG1 3.72Å; V83-V93 HydrophobicContact CG2-CG1 4.27Å; V83-T95 HydrophobicContact CG2-CG2 4.36Å; V83-L109 HydrophobicContact CG2-CD2 4.31Å; V83-L270 HydrophobicContact CB-CD1 3.99Å; V83-L270 HydrophobicContact CG1-CD1 3.8Å; V83-L270 WeakPolarHBondContact O-CD1 3.32Å
84	T	98.7	Very high	98.4	Very high	68 Å²	68	55.4 Å²	55.4	42%	0.417	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	-24.2	-178.8	54.3	0	0	0	0	112.9	E94 L270	T84-E94 PolarHBondContact N-O 3.28Å; T84-E94 PolarHBondContact OG1-O 2.87Å; T84-L270 WeakPolarHBondContact O-CD2 3.34Å
85	K	98.8	Very high	98.5	Very high	104 Å²	104	51 Å²	51	45%	0.452	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	145.7	178.3	-172	172.4	170.3	-169.9	0	111.8	V93 E94	K85-V93 WeakPolarHBondContact O-CA 3.35Å; K85-E94 HydrophobicContact CB-CB 4.04Å; K85-E94 HydrophobicContact CB-CG 4.23Å; K85-E94 PolarHBondContact N-O 2.91Å; K85-E94 IonicContact NZ-OE1 2.63Å; K85-E94 PolarHBondContact O-N 2.89Å
86	I	98.9	Very high	98.6	Very high	6 Å²	6	54 Å²	54	3%	0.031	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	115.2	171.5	-55.5	167.4	0	0	0	108	L11 V83 V93 L105 V107 L109 S274 F275	L11-I86 HydrophobicContact CD1-CD1 3.61Å; L11-I86 HydrophobicContact CD1-CG1 3.93Å; V83-I86 HydrophobicContact CG1-CG1 4.15Å; I86-V93 HydrophobicContact CG1-CG1 4.45Å; I86-V93 HydrophobicContact CG1-CG2 4.35Å; I86-V93 HydrophobicContact CG2-CG2 4.32Å; I86-L105 HydrophobicContact CG2-CD2 3.72Å; I86-V107 HydrophobicContact CD1-CG1 4.43Å; I86-V107 HydrophobicContact CD1-CG2 4.33Å; I86-L109 HydrophobicContact CD1-CD1 4.38Å; I86-S274 WeakPolarHBondContact CB-OG 3.26Å; I86-F275 HydrophobicContact CD1-CE2 4.27Å; I86-F275 HydrophobicContact CD1-CZ 4.47Å; I86-F275 HydrophobicContact CG2-CZ 4.13Å
87	D	98.5	Very high	98.6	Very high	59 Å²	59	60.3 Å²	60.3	32%	0.316	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	97.1	171.2	-166.9	-34.9	0	0	0	109	D89 A90 K91 K92	D87-D89 VanDerWaalsContact C-N 3.33Å; D87-D89 PolarHBondContact O-N 3.34Å; D87-D89 PolarHBondContact OD1-N 3.3Å; D87-A90 HydrophobicContact CB-CB 4.13Å; D87-A90 VanDerWaalsContact CG-CB 3.41Å; D87-A90 WeakPolarHBondContact OD1-CB 3.46Å; D87-A90 PolarHBondContact OD1-N 3Å; D87-K91 WeakPolarHBondContact O-CA 3.46Å; D87-K91 PolarHBondContact O-N 3.07Å; D87-K92 HydrophobicContact CB-CB 4.49Å; D87-K92 PolarHBondContact N-O 2.99Å; D87-K92 PolarHBondContact O-N 3.27Å
88	R	97.5	Very high	98.6	Very high	46 Å²	46	58 Å²	58	17%	0.174	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-32.6	-175.3	63.8	-174.1	-178.6	-87.2	1.4	113.2	S274 F275 E276 Y294 I297	R88-S274 WeakPolarHBondContact CD-O 3.45Å; R88-S274 PolarHBondContact NH1-O 2.93Å; R88-F275 HydrophobicContact CB-CE1 4.21Å; R88-E276 IonicContact NH2-OE1 2.62Å; R88-E276 PolarHBondContact NH2-OE1 3.42Å; R88-Y294 HydrophobicContact CB-CE1 4Å; R88-Y294 VanDerWaalsContact CD-CZ 3.47Å; R88-Y294 VanDerWaalsContact CD-OH 3.25Å; R88-Y294 WeakPolarHBondContact CD-OH 3.15Å; R88-Y294 HydrophobicContact CG-CE1 3.9Å; R88-Y294 PolarHBondContact NE-OH 3.43Å; R88-I297 HydrophobicContact CB-CD1 3.86Å
89	D	97.6	Very high	98.6	Very high	110 Å²	110	61.5 Å²	61.5	59%	0.588	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-43.5	-177.1	-66.4	-50.1	0	0	0	111	D87 K91 Y294	D87-D89 VanDerWaalsContact C-N 3.33Å; D87-D89 PolarHBondContact O-N 3.34Å; D87-D89 PolarHBondContact OD1-N 3.3Å; D89-K91 PolarHBondContact O-N 2.82Å; D89-Y294 PolarHBondContact OD1-OH 3.03Å; D89-Y294 VanDerWaalsContact OD1-OH 3.07Å
90	A	98.3	Very high	98.6	Very high	50 Å²	50	63.4 Å²	63.4	41%	0.413	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-8.3	175.4	0	0	0	0	0	113.4	D87	D87-A90 HydrophobicContact CB-CB 4.13Å; D87-A90 VanDerWaalsContact CG-CB 3.41Å; D87-A90 WeakPolarHBondContact OD1-CB 3.46Å; D87-A90 PolarHBondContact OD1-N 3Å
91	K	98.6	Very high	98.6	Very high	88 Å²	88	62.2 Å²	62.2	38%	0.383	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.9	46.8	-175.8	-55.8	-174.7	-176.8	-176.7	0	113.9	D87 D89 D101 F102	D87-K91 WeakPolarHBondContact O-CA 3.46Å; D87-K91 PolarHBondContact O-N 3.07Å; D89-K91 PolarHBondContact O-N 2.82Å; K91-D101 WeakPolarHBondContact O-CA 3.46Å; K91-F102 VanDerWaalsContact C-CD1 3.41Å; K91-F102 VanDerWaalsContact CA-CE1 3.4Å; K91-F102 VanDerWaalsContact CA-CZ 3.47Å; K91-F102 HydrophobicContact CB-CD1 4.3Å; K91-F102 HydrophobicContact CB-CD2 4.16Å; K91-F102 HydrophobicContact CB-CE1 4.07Å; K91-F102 HydrophobicContact CB-CE2 3.91Å; K91-F102 HydrophobicContact CB-CG 4.35Å; K91-F102 HydrophobicContact CB-CZ 3.88Å; K91-F102 WeakPolarHBondContact CB-O 3.42Å; K91-F102 HydrophobicContact CG-CE2 4.02Å; K91-F102 HydrophobicContact CG-CZ 4.19Å; K91-F102 VanDerWaalsContact O-CD1 3.27Å; K91-F102 WeakPolarHBondContact O-CD1 3.36Å; K91-F102 PolarHBondContact O-N 2.96Å
92	K	98.8	Very high	98.5	Very high	89 Å²	89	62.3 Å²	62.3	39%	0.387	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	144.8	-177.9	-72	178.2	-179.5	-176.1	0	111.9	D87 I99 Y100 D101	D87-K92 HydrophobicContact CB-CB 4.49Å; D87-K92 PolarHBondContact N-O 2.99Å; D87-K92 PolarHBondContact O-N 3.27Å; K92-I99 HydrophobicContact CB-CG2 4.15Å; K92-I99 HydrophobicContact CD-CG2 4.23Å; K92-I99 HydrophobicContact CG-CG2 4.33Å; K92-Y100 WeakPolarHBondContact CA-O 3.17Å; K92-D101 WeakPolarHBondContact CE-OD1 3.47Å; K92-D101 WeakPolarHBondContact CG-OD1 3.42Å
93	V	98.9	Very high	98.5	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	124.2	171.2	178.8	0	0	0	0	108.6	L9 L11 V83 K85 I86 T95 I99 Y100 F102 L105	L9-V93 HydrophobicContact CD2-CB 3.79Å; L9-V93 HydrophobicContact CD2-CG2 3.49Å; L9-V93 VanDerWaalsContact CD2-CG2 3.49Å; L11-V93 HydrophobicContact CD1-CG1 4.05Å; L11-V93 HydrophobicContact CD1-CG2 4.06Å; L11-V93 HydrophobicContact CD2-CG1 3.96Å; L11-V93 HydrophobicContact CD2-CG2 4.38Å; V83-V93 HydrophobicContact CG1-CG1 3.72Å; V83-V93 HydrophobicContact CG2-CG1 4.27Å; K85-V93 WeakPolarHBondContact O-CA 3.35Å; I86-V93 HydrophobicContact CG1-CG1 4.45Å; I86-V93 HydrophobicContact CG1-CG2 4.35Å; I86-V93 HydrophobicContact CG2-CG2 4.32Å; V93-T95 HydrophobicContact CG1-CG2 4.5Å; V93-I99 CarbonylContact O-C 3.32Å; V93-I99 WeakPolarHBondContact O-CA 3.38Å; V93-Y100 PolarHBondContact N-O 3.28Å; V93-Y100 PolarHBondContact O-N 3.25Å; V93-F102 HydrophobicContact CG2-CD1 4.11Å; V93-F102 HydrophobicContact CG2-CE1 4.2Å; V93-L105 HydrophobicContact CG2-CD1 4.03Å
94	E	98.9	Very high	98.5	Very high	72 Å²	72	60.3 Å²	60.3	34%	0.336	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	139.9	173.4	-52.4	-179.3	-153.7	0	0	109.5	T84 K85 I99	T84-E94 PolarHBondContact N-O 3.28Å; T84-E94 PolarHBondContact OG1-O 2.87Å; K85-E94 HydrophobicContact CB-CB 4.04Å; K85-E94 HydrophobicContact CB-CG 4.23Å; K85-E94 PolarHBondContact N-O 2.91Å; K85-E94 IonicContact NZ-OE1 2.63Å; K85-E94 PolarHBondContact O-N 2.89Å; E94-I99 HydrophobicContact CG-CG1 4.21Å
95	T	98.9	Very high	98.5	Very high	13 Å²	13	57 Å²	57	8%	0.08	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	171.2	172	78.1	0	0	0	0	110.1	I38 A81 E82 V83 V93 Q97 G98 Y100	I38-T95 HydrophobicContact CD1-CG2 3.86Å; I38-T95 HydrophobicContact CG2-CG2 4.22Å; A81-T95 HydrophobicContact CB-CG2 4.17Å; E82-T95 CarbonylContact O-C 3.59Å; E82-T95 WeakPolarHBondContact O-CA 3.3Å; E82-T95 WeakPolarHBondContact O-CB 3.28Å; V83-T95 HydrophobicContact CG2-CG2 4.36Å; V93-T95 HydrophobicContact CG1-CG2 4.5Å; T95-Q97 PolarHBondContact O-N 2.8Å; T95-Q97 VanDerWaalsContact O-N 3.12Å; T95-Q97 PolarHBondContact OG1-N 3.27Å; T95-G98 PolarHBondContact N-O 3.03Å; T95-G98 PolarHBondContact O-N 2.98Å; T95-G98 PolarHBondContact OG1-N 2.87Å; T95-G98 PolarHBondContact OG1-O 3.12Å; T95-Y100 HydrophobicContact CG2-CD2 3.99Å; T95-Y100 HydrophobicContact CG2-CE2 4.01Å
96	N	98.5	Very high	98.5	Very high	97 Å²	97	52.1 Å²	52.1	52%	0.519	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-6.7	169.8	68.6	-22	0	0	0	114.6	A81 E82	A81-N96 WeakPolarHBondContact CA-OD1 3.46Å; A81-N96 WeakPolarHBondContact CB-OD1 3.44Å; E82-N96 PolarHBondContact N-OD1 3.43Å; E82-N96 PolarHBondContact O-N 2.84Å
97	Q	98	Very high	98.5	Very high	138 Å²	138	51.8 Å²	51.8	65%	0.645	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.6	0.8	-178.9	-65.4	-74	48.4	0	0	113.9	A81 T95	A81-Q97 HydrophobicContact CB-CB 3.92Å; A81-Q97 HydrophobicContact CB-CG 3.91Å; T95-Q97 PolarHBondContact O-N 2.8Å; T95-Q97 VanDerWaalsContact O-N 3.12Å; T95-Q97 PolarHBondContact OG1-N 3.27Å
98	G	98.4	Very high	98.6	Very high	30 Å²	30	49.2 Å²	49.2	31%	0.309	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	147.9	-172.4	178.1	0	0	0	0	0	113.9	T95	T95-G98 PolarHBondContact N-O 3.03Å; T95-G98 PolarHBondContact O-N 2.98Å; T95-G98 PolarHBondContact OG1-N 2.87Å; T95-G98 PolarHBondContact OG1-O 3.12Å
99	I	98.7	Very high	98.6	Very high	106 Å²	106	49 Å²	49	54%	0.544	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	136	-179	-53.9	176.5	0	0	0	108.6	K92 V93 E94	K92-I99 HydrophobicContact CB-CG2 4.15Å; K92-I99 HydrophobicContact CD-CG2 4.23Å; K92-I99 HydrophobicContact CG-CG2 4.33Å; V93-I99 CarbonylContact O-C 3.32Å; V93-I99 WeakPolarHBondContact O-CA 3.38Å; E94-I99 HydrophobicContact CG-CG1 4.21Å
100	Y	98.8	Very high	98.7	Very high	53 Å²	53	45 Å²	45	21%	0.208	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	118.1	-176	-63.2	-95	0	0	0	110.2	T36 I38 V79 K92 V93 T95	T36-Y100 HydrophobicContact CG2-CD1 4.29Å; I38-Y100 HydrophobicContact CD1-CD1 4.43Å; I38-Y100 HydrophobicContact CD1-CD2 3.76Å; I38-Y100 HydrophobicContact CD1-CE2 4.16Å; I38-Y100 HydrophobicContact CD1-CG 3.93Å; V79-Y100 HydrophobicContact CG1-CE1 4.38Å; V79-Y100 HydrophobicContact CG1-CE2 4.33Å; V79-Y100 WeakPolarHBondContact CG1-OH 3.43Å; V79-Y100 HydrophobicContact CG2-CE1 3.88Å; K92-Y100 WeakPolarHBondContact CA-O 3.17Å; V93-Y100 PolarHBondContact N-O 3.28Å; V93-Y100 PolarHBondContact O-N 3.25Å; T95-Y100 HydrophobicContact CG2-CD2 3.99Å; T95-Y100 HydrophobicContact CG2-CE2 4.01Å
101	D	98.6	Very high	98.7	Very high	78 Å²	78	44.8 Å²	44.8	42%	0.417	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	151.3	170.9	-60.7	-83.5	0	0	0	111.4	K91 K92	K91-D101 WeakPolarHBondContact O-CA 3.46Å; K92-D101 WeakPolarHBondContact CE-OD1 3.47Å; K92-D101 WeakPolarHBondContact CG-OD1 3.42Å
102	F	98.7	Very high	98.6	Very high	7 Å²	7	42.7 Å²	42.7	3%	0.031	23%	0.226	C	C	.	.			trans	-136.6	151.5	175.1	67.7	-97	0	0	0	113.2	L9 K91 V93 L105 I297	L9-F102 HydrophobicContact CB-CB 3.69Å; L9-F102 HydrophobicContact CD2-CB 4.16Å; L9-F102 HydrophobicContact CD2-CD1 4.28Å; K91-F102 VanDerWaalsContact C-CD1 3.41Å; K91-F102 VanDerWaalsContact CA-CE1 3.4Å; K91-F102 VanDerWaalsContact CA-CZ 3.47Å; K91-F102 HydrophobicContact CB-CD1 4.3Å; K91-F102 HydrophobicContact CB-CD2 4.16Å; K91-F102 HydrophobicContact CB-CE1 4.07Å; K91-F102 HydrophobicContact CB-CE2 3.91Å; K91-F102 HydrophobicContact CB-CG 4.35Å; K91-F102 HydrophobicContact CB-CZ 3.88Å; K91-F102 WeakPolarHBondContact CB-O 3.42Å; K91-F102 HydrophobicContact CG-CE2 4.02Å; K91-F102 HydrophobicContact CG-CZ 4.19Å; K91-F102 VanDerWaalsContact O-CD1 3.27Å; K91-F102 WeakPolarHBondContact O-CD1 3.36Å; K91-F102 PolarHBondContact O-N 2.96Å; V93-F102 HydrophobicContact CG2-CD1 4.11Å; V93-F102 HydrophobicContact CG2-CE1 4.2Å; F102-L105 HydrophobicContact CD1-CB 4.34Å; F102-L105 HydrophobicContact CD1-CD1 4.25Å; F102-L105 HydrophobicContact CD2-CB 3.67Å; F102-L105 HydrophobicContact CE1-CB 4.27Å; F102-L105 HydrophobicContact CE1-CD1 4.44Å; F102-L105 HydrophobicContact CE1-CD2 3.92Å; F102-L105 HydrophobicContact CE1-CG 4.45Å; F102-L105 HydrophobicContact CE2-CB 3.61Å; F102-L105 HydrophobicContact CE2-CD2 4.41Å; F102-L105 HydrophobicContact CG-CB 4.04Å; F102-L105 HydrophobicContact CG-CD1 4.49Å; F102-L105 HydrophobicContact CZ-CB 3.92Å; F102-L105 HydrophobicContact CZ-CD2 3.86Å; F102-L105 HydrophobicContact CZ-CG 4.42Å; F102-I297 HydrophobicContact CE2-CD1 4.45Å; F102-I297 HydrophobicContact CE2-CG1 4.24Å; F102-I297 HydrophobicContact CZ-CD1 4.28Å
103	D	98.4	Very high	98.4	Very high	44 Å²	44	39 Å²	39	24%	0.235	21%	0.211	C	C	.	.	S	Bend	trans	-93.3	-44	161.1	-71.6	-84.2	0	0	0	110.4	K6 K7 N296	K6-D103 WeakPolarHBondContact CA-OD2 3.29Å; K6-D103 HydrophobicContact CB-CB 4.35Å; K6-D103 HydrophobicContact CD-CB 3.64Å; K6-D103 WeakPolarHBondContact CD-OD1 3.28Å; K6-D103 IonicContact NZ-OD1 2.57Å; K6-D103 PolarHBondContact NZ-OD1 2.81Å; K7-D103 PolarHBondContact N-OD2 3.45Å; K7-D103 PolarHBondContact O-N 2.91Å; D103-N296 WeakPolarHBondContact O-CB 3.26Å; D103-N296 PolarHBondContact O-ND2 3.08Å
104	I	98.8	Very high	98.4	Very high	8 Å²	8	39.9 Å²	39.9	4%	0.041	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	130.6	176.9	-61.5	173.6	0	0	0	108.7	K7 V8 L9 N296 F298 I333 I336	K7-I104 PolarHBondContact O-N 3.08Å; V8-I104 WeakPolarHBondContact CA-O 3.44Å; V8-I104 HydrophobicContact CG2-CB 4.34Å; V8-I104 HydrophobicContact CG2-CD1 4.44Å; L9-I104 PolarHBondContact N-O 3.28Å; I104-N296 CarbonylContact C-O 3.5Å; I104-N296 WeakPolarHBondContact CA-O 3.44Å; I104-F298 HydrophobicContact CG2-CD2 4.08Å; I104-F298 HydrophobicContact CG2-CE2 4.02Å; I104-I333 HydrophobicContact CD1-CG2 4.17Å; I104-I333 HydrophobicContact CG2-CD1 4.13Å; I104-I333 HydrophobicContact CG2-CG1 4.09Å; I104-I336 HydrophobicContact CD1-CB 4.5Å; I104-I336 HydrophobicContact CD1-CG2 3.87Å
105	L	98.9	Very high	98.3	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	138.5	177.1	-176.4	64.7	0	0	0	110.8	L9 L11 I86 V93 F102 V107 N296 I297 F298	L9-L105 HydrophobicContact CB-CD1 4.11Å; L9-L105 HydrophobicContact CD2-CD1 4.07Å; L9-L105 HydrophobicContact CG-CD1 4.09Å; L9-L105 CarbonylContact O-C 3.59Å; L9-L105 WeakPolarHBondContact O-CA 3.43Å; L11-L105 HydrophobicContact CD1-CD1 3.86Å; L11-L105 HydrophobicContact CD2-CD1 4.38Å; L11-L105 HydrophobicContact CG-CD1 3.83Å; I86-L105 HydrophobicContact CG2-CD2 3.72Å; V93-L105 HydrophobicContact CG2-CD1 4.03Å; F102-L105 HydrophobicContact CD1-CB 4.34Å; F102-L105 HydrophobicContact CD1-CD1 4.25Å; F102-L105 HydrophobicContact CD2-CB 3.67Å; F102-L105 HydrophobicContact CE1-CB 4.27Å; F102-L105 HydrophobicContact CE1-CD1 4.44Å; F102-L105 HydrophobicContact CE1-CD2 3.92Å; F102-L105 HydrophobicContact CE1-CG 4.45Å; F102-L105 HydrophobicContact CE2-CB 3.61Å; F102-L105 HydrophobicContact CE2-CD2 4.41Å; F102-L105 HydrophobicContact CG-CB 4.04Å; F102-L105 HydrophobicContact CG-CD1 4.49Å; F102-L105 HydrophobicContact CZ-CB 3.92Å; F102-L105 HydrophobicContact CZ-CD2 3.86Å; F102-L105 HydrophobicContact CZ-CG 4.42Å; L105-V107 HydrophobicContact CD2-CG2 3.78Å; L105-V107 HydrophobicContact CG-CG2 3.93Å; L105-N296 PolarHBondContact N-O 3.38Å; L105-I297 HydrophobicContact CB-CG1 4.17Å; L105-I297 HydrophobicContact CB-CG2 4.33Å; L105-I297 HydrophobicContact CD2-CD1 4.49Å; L105-I297 HydrophobicContact CD2-CG2 4.17Å; L105-I297 HydrophobicContact CG-CG2 4.47Å; L105-I297 WeakPolarHBondContact O-CA 3.12Å; L105-F298 PolarHBondContact O-N 3Å
106	V	99	Very high	98.1	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	110.8	168.8	-174.8	0	0	0	0	108.7	L9 V10 L11 T20 F298 I300 V329 I333	L9-V106 PolarHBondContact O-N 3.42Å; V10-V106 WeakPolarHBondContact CA-O 3.42Å; V10-V106 HydrophobicContact CB-CB 4.38Å; V10-V106 HydrophobicContact CG1-CB 4.17Å; V10-V106 HydrophobicContact CG1-CG1 4.31Å; V10-V106 HydrophobicContact CG2-CB 4.06Å; V10-V106 HydrophobicContact CG2-CG2 4.16Å; L11-V106 PolarHBondContact N-O 2.83Å; T20-V106 HydrophobicContact CG2-CG1 4.49Å; T20-V106 HydrophobicContact CG2-CG2 4.42Å; V106-F298 WeakPolarHBondContact CA-O 3.45Å; V106-F298 HydrophobicContact CG1-CB 4.45Å; V106-F298 HydrophobicContact CG2-CB 4.35Å; V106-F298 HydrophobicContact CG2-CD2 4.46Å; V106-I300 HydrophobicContact CG1-CD1 3.53Å; V106-I300 HydrophobicContact CG1-CG1 3.91Å; V106-V329 HydrophobicContact CG1-CG1 4.18Å; V106-V329 HydrophobicContact CG2-CG1 3.8Å; V106-I333 HydrophobicContact CG2-CD1 3.69Å
107	V	99	Very high	98.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	111.3	177.2	-170.2	0	0	0	0	109.4	I86 L105 L109 M271 F275 I297 F298 V299 I300	I86-V107 HydrophobicContact CD1-CG1 4.43Å; I86-V107 HydrophobicContact CD1-CG2 4.33Å; L105-V107 HydrophobicContact CD2-CG2 3.78Å; L105-V107 HydrophobicContact CG-CG2 3.93Å; V107-L109 HydrophobicContact CG1-CD1 3.97Å; V107-L109 HydrophobicContact CG1-CG 4.1Å; V107-M271 HydrophobicContact CG1-SD 3.71Å; V107-F275 HydrophobicContact CG2-CE2 4.07Å; V107-F275 HydrophobicContact CG2-CZ 3.86Å; V107-I297 HydrophobicContact CG2-CG2 4.48Å; V107-F298 PolarHBondContact N-O 3.45Å; V107-V299 HydrophobicContact CB-CG1 4.38Å; V107-V299 HydrophobicContact CB-CG2 4.13Å; V107-V299 HydrophobicContact CG2-CG2 4.28Å; V107-I300 PolarHBondContact O-N 3.5Å
108	A	98.9	Very high	98.1	Very high	5 Å²	5	34.6 Å²	34.6	4%	0.041	21%	0.205	C	C	.	.			trans	-134.1	38.5	-176.2	0	0	0	0	0	111.4	L11 A16 G110 I300	L11-A108 CarbonylContact O-C 3.54Å; L11-A108 WeakPolarHBondContact O-CA 3.37Å; L11-A108 WeakPolarHBondContact O-CB 3.38Å; L11-A108 PolarHBondContact O-N 3.08Å; A16-A108 HydrophobicContact CB-CB 4.03Å; A108-G110 PolarHBondContact O-N 2.83Å; A108-G110 VanDerWaalsContact O-N 3.16Å; A108-I300 HydrophobicContact CB-CD1 4.25Å; A108-I300 HydrophobicContact CB-CG1 3.9Å
109	L	98.8	Very high	98.1	Very high	42 Å²	42	40.4 Å²	40.4	22%	0.22	22%	0.224	C	C	.	.			trans	-74.7	0.9	-170.9	-68.3	172.1	0	0	0	114.9	L11 V83 I86 V107 L270	L11-L109 HydrophobicContact CB-CD2 3.85Å; L11-L109 HydrophobicContact CB-CG 4.07Å; L11-L109 PolarHBondContact O-N 2.93Å; V83-L109 HydrophobicContact CG2-CD2 4.31Å; I86-L109 HydrophobicContact CD1-CD1 4.38Å; V107-L109 HydrophobicContact CG1-CD1 3.97Å; V107-L109 HydrophobicContact CG1-CG 4.1Å; L109-L270 HydrophobicContact CD1-CB 4.18Å; L109-L270 HydrophobicContact CD1-CD1 3.69Å
110	G	98.2	Very high	98.1	Very high	25 Å²	25	35.9 Å²	35.9	26%	0.258	20%	0.204	S	C	.	.			trans	75	-149.9	171.7	0	0	0	0	0	114.2	A108 S268 C303	A108-G110 PolarHBondContact O-N 2.83Å; A108-G110 VanDerWaalsContact O-N 3.16Å; G110-S268 PolarHBondContact O-N 2.97Å; G110-C303 PolarHBondContact O-SG 3.2Å; G110-C303 VanDerWaalsContact O-SG 3.37Å
111	F	98.3	Very high	98.1	Very high	46 Å²	46	33.4 Å²	33.4	20%	0.202	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	162.8	-174.6	73.4	-91	0	0	0	112.1	A47 V265 R266 D302	A47-F111 HydrophobicContact CB-CE1 4.16Å; F111-V265 HydrophobicContact CB-CB 4.29Å; F111-V265 HydrophobicContact CD2-CB 4.04Å; F111-V265 HydrophobicContact CD2-CG1 3.62Å; F111-V265 HydrophobicContact CE2-CG1 4.01Å; F111-V265 HydrophobicContact CG-CB 4.42Å; F111-V265 HydrophobicContact CG-CG1 4.35Å; F111-R266 CarbonylContact C-O 3.58Å; F111-R266 WeakPolarHBondContact CA-O 3.31Å; F111-R266 WeakPolarHBondContact CB-O 3.1Å; F111-D302 HydrophobicContact CB-CB 3.83Å; F111-D302 WeakPolarHBondContact CB-OD2 3.46Å; F111-D302 WeakPolarHBondContact CD1-OD2 3.39Å
112	V	96.9	Very high	97.9	Very high	44 Å²	44	35 Å²	35	27%	0.267	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	169	162.1	-62.2	0	0	0	0	108.7	V265 R266	V112-V265 CarbonylContact O-C 3.57Å; V112-V265 WeakPolarHBondContact O-CA 3.48Å; V112-R266 HydrophobicContact CG2-CG 3.57Å; V112-R266 PolarHBondContact N-O 3.19Å; V112-R266 PolarHBondContact O-N 3.04Å
113	S	95.8	Very high	97.9	Very high	11 Å²	11	41 Å²	41	8%	0.077	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	138.3	176.8	177	0	0	0	0	112	Q127 E129	S113-Q127 VanDerWaalsContact CB-OE1 3.25Å; S113-Q127 PolarHBondContact OG-OE1 2.93Å; S113-E129 WeakPolarHBondContact CB-OE1 3.49Å; S113-E129 PolarHBondContact N-OE1 3.03Å
114	E	97.3	Very high	97.9	Very high	19 Å²	19	42.8 Å²	42.8	9%	0.089	24%	0.237	C	C	.	.			trans	-113.7	118.7	167.6	179	58.5	-102.4	0	0	109.1	F116 W261 G264 V265 R266 R280	E114-F116 HydrophobicContact CG-CD1 3.83Å; E114-F116 HydrophobicContact CG-CE1 3.85Å; E114-F116 HydrophobicContact CG-CG 4.41Å; E114-F116 HydrophobicContact CG-CZ 4.42Å; E114-F116 PolarHBondContact OE1-N 2.84Å; E114-W261 WeakPolarHBondContact O-CZ2 3.5Å; E114-W261 PolarHBondContact O-NE1 2.93Å; E114-G264 PolarHBondContact N-O 2.97Å; E114-V265 WeakPolarHBondContact CB-O 3.42Å; E114-R266 HydrophobicContact CB-CB 4.03Å; E114-R266 HydrophobicContact CB-CG 4.12Å; E114-R266 WeakPolarHBondContact OE2-CD 3.43Å; E114-R266 IonicContact OE2-CZ 2.97Å; E114-R266 IonicContact OE2-NH1 3.45Å; E114-R266 PolarHBondContact OE2-NH1 3.42Å; E114-R280 IonicContact OE2-NE 3.91Å
115	T	97.1	Very high	97.9	Very high	7 Å²	7	42.9 Å²	42.9	4%	0.043	24%	0.239	C	C	.	.			trans	-102	3.4	-177.2	64.2	0	0	0	0	113	G117 I118 M121 K122	T115-G117 PolarHBondContact O-N 2.93Å; T115-I118 VanDerWaalsContact O-CB 3.3Å; T115-I118 WeakPolarHBondContact O-CB 3.37Å; T115-I118 WeakPolarHBondContact O-CD1 3.13Å; T115-I118 WeakPolarHBondContact O-CG1 3.48Å; T115-I118 PolarHBondContact O-N 2.99Å; T115-M121 HydrophobicContact CG2-CB 3.98Å; T115-M121 HydrophobicContact CG2-CG 3.63Å; T115-K122 HydrophobicContact CG2-CD 4.41Å; T115-K122 HydrophobicContact CG2-CG 3.53Å; T115-K122 WeakPolarHBondContact OG1-CE 3.14Å
116	F	96.1	Very high	97.9	Very high	100 Å²	100	44.8 Å²	44.8	44%	0.439	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	21.8	177.2	-48.9	-69.6	0	0	0	114.6	E114 I118 W261	E114-F116 HydrophobicContact CG-CD1 3.83Å; E114-F116 HydrophobicContact CG-CE1 3.85Å; E114-F116 HydrophobicContact CG-CG 4.41Å; E114-F116 HydrophobicContact CG-CZ 4.42Å; E114-F116 PolarHBondContact OE1-N 2.84Å; F116-I118 HydrophobicContact CD2-CD1 4.48Å; F116-I118 PolarHBondContact O-N 2.9Å; F116-W261 AromaticContact CD2-CH2 3.9Å; F116-W261 HydrophobicContact CD2-CH2 3.9Å; F116-W261 AromaticContact CD2-CZ2 3.53Å; F116-W261 HydrophobicContact CD2-CZ2 3.53Å; F116-W261 HydrophobicContact CE2-CH2 4.05Å; F116-W261 AromaticContact CE2-CZ2 3.53Å; F116-W261 HydrophobicContact CE2-CZ2 3.53Å
117	G	96.5	Very high	97.9	Very high	71 Å²	71	45.7 Å²	45.7	73%	0.732	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.9	12.6	-175	0	0	0	0	0	114.5	T115 E119	T115-G117 PolarHBondContact O-N 2.93Å; G117-E119 PolarHBondContact O-N 2.71Å
118	I	98.4	Very high	97.8	Very high	30 Å²	30	46.5 Å²	46.5	15%	0.154	26%	0.256	C	S	.	.			trans	-61.5	123.1	173.6	-62.8	165.1	0	0	0	108.7	T115 F116 G120 M121 I235 W261	T115-I118 VanDerWaalsContact O-CB 3.3Å; T115-I118 WeakPolarHBondContact O-CB 3.37Å; T115-I118 WeakPolarHBondContact O-CD1 3.13Å; T115-I118 WeakPolarHBondContact O-CG1 3.48Å; T115-I118 PolarHBondContact O-N 2.99Å; F116-I118 HydrophobicContact CD2-CD1 4.48Å; F116-I118 PolarHBondContact O-N 2.9Å; I118-G120 PolarHBondContact O-N 2.91Å; I118-M121 HydrophobicContact CB-CB 4.06Å; I118-M121 HydrophobicContact CG2-CB 4.06Å; I118-M121 HydrophobicContact CG2-CE 3.88Å; I118-M121 WeakPolarHBondContact O-CB 3.41Å; I118-M121 PolarHBondContact O-N 3.01Å; I118-I235 WeakPolarHBondContact CD1-O 3.36Å; I118-I235 HydrophobicContact CG2-CG2 4.31Å; I118-W261 HydrophobicContact CD1-CH2 3.55Å; I118-W261 HydrophobicContact CD1-CZ2 4.33Å; I118-W261 HydrophobicContact CD1-CZ3 4Å
119	E	98.5	Very high	97.7	Very high	152 Å²	152	48.1 Å²	48.1	71%	0.71	26%	0.262	S	S	*	.	B	Isolated β-bridge	trans	-57.9	132.5	-175.5	-173.5	177.6	-178	0	0	111.1	G117 M121 A237 C238	G117-E119 PolarHBondContact O-N 2.71Å; E119-M121 PolarHBondContact O-N 2.83Å; E119-A237 HydrophobicContact CB-CB 4.28Å; E119-A237 CarbonylContact O-C 3.59Å; E119-A237 WeakPolarHBondContact O-CA 3.45Å; E119-C238 PolarHBondContact O-N 3.4Å
120	G	98.4	Very high	97.7	Very high	12 Å²	12	47.9 Å²	47.9	12%	0.124	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	68	-2.8	177.1	0	0	0	0	0	116	I118 K122 D123 H124 C238	I118-G120 PolarHBondContact O-N 2.91Å; G120-K122 VanDerWaalsContact C-N 3.27Å; G120-K122 PolarHBondContact O-N 2.77Å; G120-D123 PolarHBondContact O-N 3.42Å; G120-H124 WeakPolarHBondContact O-CB 3.22Å; G120-H124 PolarHBondContact O-N 3.12Å; G120-C238 WeakPolarHBondContact CA-O 3.23Å
121	M	98.6	Very high	97.7	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-63.1	-31.2	-177.2	-173	60.2	70.6	0	0	113.4	T115 I118 E119 A125 Q127 I235 C238 F243 W261	T115-M121 HydrophobicContact CG2-CB 3.98Å; T115-M121 HydrophobicContact CG2-CG 3.63Å; I118-M121 HydrophobicContact CB-CB 4.06Å; I118-M121 HydrophobicContact CG2-CB 4.06Å; I118-M121 HydrophobicContact CG2-CE 3.88Å; I118-M121 WeakPolarHBondContact O-CB 3.41Å; I118-M121 PolarHBondContact O-N 3.01Å; E119-M121 PolarHBondContact O-N 2.83Å; M121-A125 WeakPolarHBondContact O-CB 3.47Å; M121-A125 PolarHBondContact O-N 3.18Å; M121-A125 HydrophobicContact SD-CB 3.68Å; M121-Q127 PolarHBondContact O-NE2 2.73Å; M121-I235 HydrophobicContact CE-CB 4.39Å; M121-I235 HydrophobicContact CE-CD1 4.45Å; M121-I235 HydrophobicContact CE-CG2 3.58Å; M121-C238 HydrophobicContact CB-CB 4.5Å; M121-C238 HydrophobicContact CE-CB 4.02Å; M121-C238 HydrophobicContact SD-CB 4.18Å; M121-F243 HydrophobicContact CE-CD1 4.13Å; M121-F243 HydrophobicContact CE-CE1 3.79Å; M121-F243 HydrophobicContact CE-CZ 4.34Å; M121-F243 HydrophobicContact SD-CE1 3.87Å; M121-F243 HydrophobicContact SD-CZ 4.37Å; M121-W261 HydrophobicContact CE-CD2 4.41Å; M121-W261 HydrophobicContact CE-CE3 3.56Å; M121-W261 HydrophobicContact CE-CZ3 3.72Å; M121-W261 HydrophobicContact CG-CB 4.37Å; M121-W261 HydrophobicContact CG-CD2 3.87Å; M121-W261 HydrophobicContact CG-CE3 3.97Å; M121-W261 HydrophobicContact CG-CG 4.07Å; M121-W261 HydrophobicContact SD-CB 3.93Å; M121-W261 HydrophobicContact SD-CD2 3.85Å; M121-W261 HydrophobicContact SD-CE3 3.5Å; M121-W261 HydrophobicContact SD-CG 4.07Å; M121-W261 HydrophobicContact SD-CZ3 4.25Å
122	K	96.1	Very high	97.8	Very high	113 Å²	113	49.6 Å²	49.6	49%	0.491	27%	0.266	S	S	.	.	H	α-helix	trans	-78.8	-27.5	174.3	-70.6	-175.4	-177.7	165.3	0	113.1	T115 G120	T115-K122 HydrophobicContact CG2-CD 4.41Å; T115-K122 HydrophobicContact CG2-CG 3.53Å; T115-K122 WeakPolarHBondContact OG1-CE 3.14Å; G120-K122 VanDerWaalsContact C-N 3.27Å; G120-K122 PolarHBondContact O-N 2.77Å
123	D	98	Very high	97.8	Very high	133 Å²	133	48.5 Å²	48.5	71%	0.711	26%	0.259	S	S	*	.	H	α-helix	trans	-93	-27.6	-170.8	-53.5	-51.7	0	0	0	112.1	G120	G120-D123 PolarHBondContact O-N 3.42Å
124	H	98.7	Very high	98	Very high	80 Å²	80	48 Å²	48	37%	0.37	26%	0.256	S	S	.	.	H	α-helix	trans	-121.4	-1.9	-171.6	-61.4	-59.1	0	0	0	114.7	G120 C238	G120-H124 WeakPolarHBondContact O-CB 3.22Å; G120-H124 PolarHBondContact O-N 3.12Å; H124-C238 HydrophobicContact CB-CB 4.48Å; H124-C238 VanDerWaalsContact CB-SG 3.59Å; H124-C238 PolarHBondContact CD2-O 2.65Å
125	A	98.8	Very high	98	Very high	10 Å²	10	51.6 Å²	51.6	8%	0.083	27%	0.268	C	S	.	.	S	Bend	trans	-120.3	145	174.6	0	0	0	0	0	112.4	M121 Q127 F243 S259 W261	M121-A125 WeakPolarHBondContact O-CB 3.47Å; M121-A125 PolarHBondContact O-N 3.18Å; M121-A125 HydrophobicContact SD-CB 3.68Å; A125-Q127 PolarHBondContact O-NE2 3.42Å; A125-F243 HydrophobicContact CB-CE1 4.35Å; A125-S259 CarbonylContact C-O 3.57Å; A125-S259 VanDerWaalsContact CA-O 3.31Å; A125-S259 WeakPolarHBondContact CA-O 3.44Å; A125-W261 HydrophobicContact CB-CB 4.35Å
126	F	98.8	Very high	98.1	Very high	41 Å²	41	56.3 Å²	56.3	18%	0.18	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	151.4	170.5	-66.4	-85.7	0	0	0	111.2	E136 L137 H140 T258 S259 V260 W261	F126-E136 HydrophobicContact CE1-CG 4.01Å; F126-L137 HydrophobicContact CB-CB 4.32Å; F126-L137 HydrophobicContact CB-CD1 3.8Å; F126-L137 HydrophobicContact CB-CD2 4.05Å; F126-L137 HydrophobicContact CB-CG 4.29Å; F126-L137 HydrophobicContact CD1-CB 4.18Å; F126-L137 HydrophobicContact CD1-CD1 4.28Å; F126-L137 HydrophobicContact CD2-CD1 3.89Å; F126-L137 HydrophobicContact CG-CB 4.34Å; F126-L137 HydrophobicContact CG-CD1 3.72Å; F126-L137 HydrophobicContact CG-CG 4.48Å; F126-H140 HydrophobicContact CE1-CB 4.14Å; F126-H140 HydrophobicContact CE2-CB 4.25Å; F126-H140 AromaticContact CE2-CD2 3.45Å; F126-H140 VanDerWaalsContact CE2-CD2 3.45Å; F126-H140 WeakPolarHBondContact CE2-CD2 3.25Å; F126-H140 AromaticContact CE2-CE1 3.82Å; F126-H140 AromaticContact CE2-CG 3.58Å; F126-H140 AromaticContact CE2-ND1 3.83Å; F126-H140 AromaticContact CE2-NE2 3.62Å; F126-H140 HydrophobicContact CZ-CB 3.67Å; F126-H140 AromaticContact CZ-CD2 3.75Å; F126-H140 AromaticContact CZ-CE1 3.92Å; F126-H140 AromaticContact CZ-CG 3.33Å; F126-H140 AromaticContact CZ-ND1 3.48Å; F126-H140 WeakPolarHBondContact CZ-ND1 3.27Å; F126-T258 HydrophobicContact CD2-CG2 4.19Å; F126-T258 HydrophobicContact CE2-CG2 4.43Å; F126-S259 PolarHBondContact N-O 3.27Å; F126-V260 HydrophobicContact CB-CG2 4.44Å; F126-V260 WeakPolarHBondContact O-CA 3.34Å; F126-W261 PolarHBondContact O-N 2.96Å
127	Q	98.2	Very high	98.2	Very high	19 Å²	19	51.5 Å²	51.5	9%	0.089	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	147.8	-177.4	-43.1	-63.1	-47.6	0	0	110.3	S113 M121 A125 E129 T133 W261	S113-Q127 VanDerWaalsContact CB-OE1 3.25Å; S113-Q127 PolarHBondContact OG-OE1 2.93Å; M121-Q127 PolarHBondContact O-NE2 2.73Å; A125-Q127 PolarHBondContact O-NE2 3.42Å; Q127-E129 HydrophobicContact CB-CG 3.73Å; Q127-T133 WeakPolarHBondContact O-CB 3.44Å; Q127-T133 PolarHBondContact O-OG1 3.01Å; Q127-W261 VanDerWaalsContact OE1-CD1 3.26Å
128	I	98.1	Very high	98.3	Very high	17 Å²	17	49.4 Å²	49.4	9%	0.087	24%	0.243	C	C	.	.			trans	-103.1	82.5	174.6	-54.5	-179.9	0	0	0	108.8	L50 L137 T169 F173 V260	L50-I128 HydrophobicContact CB-CG2 3.53Å; L50-I128 HydrophobicContact CD1-CG2 4.47Å; I128-L137 HydrophobicContact CG1-CD2 4.46Å; I128-T169 HydrophobicContact CB-CG2 4.43Å; I128-T169 HydrophobicContact CD1-CG2 4.26Å; I128-T169 HydrophobicContact CG2-CG2 4.4Å; I128-F173 HydrophobicContact CD1-CB 3.9Å; I128-F173 HydrophobicContact CD1-CD1 4.22Å; I128-F173 HydrophobicContact CD1-CD2 3.8Å; I128-F173 HydrophobicContact CD1-CE2 4.39Å; I128-F173 HydrophobicContact CD1-CG 3.7Å; I128-V260 HydrophobicContact CD1-CG1 4.22Å; I128-V260 HydrophobicContact CG1-CG1 4.18Å
129	E	96.9	Very high	98.4	Very high	38 Å²	38	54 Å²	54	18%	0.178	26%	0.258	C	S	.	.	S	Bend	trans	-120.2	-40.6	-171.3	-63.1	179.1	132.8	0	0	113.3	Y45 L50 S113 Q127 T133	Y45-E129 PolarHBondContact OH-O 2.82Å; L50-E129 VanDerWaalsContact CD1-C 3.48Å; L50-E129 WeakPolarHBondContact CD1-O 3.21Å; S113-E129 WeakPolarHBondContact CB-OE1 3.49Å; S113-E129 PolarHBondContact N-OE1 3.03Å; Q127-E129 HydrophobicContact CB-CG 3.73Å; E129-T133 HydrophobicContact CB-CG2 4.45Å; E129-T133 PolarHBondContact N-OG1 3.21Å
130	N	98.4	Very high	98.4	Very high	38 Å²	38	49.1 Å²	49.1	20%	0.203	24%	0.235	C	C	.	.	S	Bend	trans	-157	176.5	-173.8	60.7	64.6	0	0	0	111.1	Y45 I132 T133 A134	Y45-N130 HydrophobicContact CE1-CB 4.48Å; Y45-N130 HydrophobicContact CE2-CB 4.31Å; N130-I132 PolarHBondContact O-N 3.01Å; N130-I132 WeakPolarHBondContact OD1-CA 3.41Å; N130-I132 WeakPolarHBondContact OD1-CB 3.43Å; N130-I132 PolarHBondContact OD1-N 2.86Å; N130-T133 PolarHBondContact N-OG1 3.26Å; N130-T133 PolarHBondContact O-N 3.01Å; N130-T133 PolarHBondContact O-OG1 2.63Å; N130-T133 PolarHBondContact OD1-N 2.9Å; N130-A134 WeakPolarHBondContact O-CB 3.4Å; N130-A134 PolarHBondContact O-N 2.95Å
131	V	98.6	Very high	98.4	Very high	4 Å²	4	48.6 Å²	48.6	2%	0.024	23%	0.23	C	C	.	.	H	α-helix	trans	-60.1	-32.8	-178.6	180	0	0	0	0	112.3	Y43 Y45 Y60 V63 L64 R135	Y43-V131 HydrophobicContact CE2-CB 4.23Å; Y43-V131 HydrophobicContact CE2-CG2 3.79Å; Y45-V131 HydrophobicContact CD1-CG2 4.47Å; Y45-V131 HydrophobicContact CD2-CG2 4.36Å; Y45-V131 HydrophobicContact CG-CG2 3.89Å; Y60-V131 HydrophobicContact CD2-CG1 3.64Å; Y60-V131 HydrophobicContact CG-CG1 4.25Å; V63-V131 HydrophobicContact CG2-CG2 4.15Å; L64-V131 HydrophobicContact CD2-CB 4.49Å; L64-V131 HydrophobicContact CD2-CG1 3.79Å; L64-V131 HydrophobicContact CD2-CG2 4.03Å; V131-R135 WeakPolarHBondContact O-CB 3.46Å; V131-R135 VanDerWaalsContact O-CG 3.27Å; V131-R135 WeakPolarHBondContact O-CG 3.45Å; V131-R135 PolarHBondContact O-N 3.18Å
132	I	98.6	Very high	98.4	Very high	103 Å²	103	50.7 Å²	50.7	53%	0.528	24%	0.239	S	C	.	.	H	α-helix	trans	-67.9	-50.2	179.9	-58.2	167.1	0	0	0	109.4	N130 A134 R135 E136	N130-I132 PolarHBondContact O-N 3.01Å; N130-I132 WeakPolarHBondContact OD1-CA 3.41Å; N130-I132 WeakPolarHBondContact OD1-CB 3.43Å; N130-I132 PolarHBondContact OD1-N 2.86Å; I132-A134 VanDerWaalsContact C-N 3.32Å; I132-A134 PolarHBondContact O-N 3.3Å; I132-R135 PolarHBondContact O-N 3Å; I132-E136 WeakPolarHBondContact O-CB 3.39Å; I132-E136 PolarHBondContact O-N 3.42Å
133	T	98.5	Very high	98.5	Very high	20 Å²	20	49 Å²	49	12%	0.123	24%	0.236	C	C	.	.	H	α-helix	trans	-66	-36	179.8	71.5	0	0	0	0	111.8	Q127 E129 N130 E136 L137	Q127-T133 WeakPolarHBondContact O-CB 3.44Å; Q127-T133 PolarHBondContact O-OG1 3.01Å; E129-T133 HydrophobicContact CB-CG2 4.45Å; E129-T133 PolarHBondContact N-OG1 3.21Å; N130-T133 PolarHBondContact N-OG1 3.26Å; N130-T133 PolarHBondContact O-N 3.01Å; N130-T133 PolarHBondContact O-OG1 2.63Å; N130-T133 PolarHBondContact OD1-N 2.9Å; T133-E136 PolarHBondContact O-N 3.16Å; T133-L137 WeakPolarHBondContact O-CB 3.15Å; T133-L137 PolarHBondContact O-N 3.36Å
134	A	98.8	Very high	98.6	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.008	21%	0.211	C	C	.	.	H	α-helix	trans	-63.3	-42.8	174.8	0	0	0	0	0	112.7	L50 A53 S54 N130 I132 S138	L50-A134 HydrophobicContact CD2-CB 4.08Å; A53-A134 HydrophobicContact CB-CB 3.92Å; S54-A134 WeakPolarHBondContact OG-CA 3.31Å; S54-A134 WeakPolarHBondContact OG-CB 3.39Å; N130-A134 WeakPolarHBondContact O-CB 3.4Å; N130-A134 PolarHBondContact O-N 2.95Å; I132-A134 VanDerWaalsContact C-N 3.32Å; I132-A134 PolarHBondContact O-N 3.3Å; A134-S138 WeakPolarHBondContact O-CB 3.22Å; A134-S138 PolarHBondContact O-N 3.47Å; A134-S138 PolarHBondContact O-OG 2.93Å
135	R	98.6	Very high	98.6	Very high	95 Å²	95	41.2 Å²	41.2	36%	0.358	19%	0.194	S	C	.	.	H	α-helix	trans	-65.9	-38.2	175.1	-75.9	-177.9	74.2	175.6	3.5	112.8	Y60 V131 I132 S138 R139	Y60-R135 HydrophobicContact CD1-CG 3.86Å; Y60-R135 HydrophobicContact CD2-CG 4.11Å; Y60-R135 VanDerWaalsContact CG-CD 3.46Å; Y60-R135 HydrophobicContact CG-CG 3.57Å; V131-R135 WeakPolarHBondContact O-CB 3.46Å; V131-R135 VanDerWaalsContact O-CG 3.27Å; V131-R135 WeakPolarHBondContact O-CG 3.45Å; V131-R135 PolarHBondContact O-N 3.18Å; I132-R135 PolarHBondContact O-N 3Å; R135-S138 WeakPolarHBondContact CA-OG 3.38Å; R135-S138 PolarHBondContact O-OG 3.23Å; R135-R139 WeakPolarHBondContact O-CB 3.5Å; R135-R139 PolarHBondContact O-N 3.38Å
136	E	98.7	Very high	98.6	Very high	105 Å²	105	42 Å²	42	49%	0.491	20%	0.201	S	C	.	.	H	α-helix	trans	-65.6	-48.2	178.2	-168.4	-179.6	-168.8	0	0	110.5	F126 I132 T133 R139 H140	F126-E136 HydrophobicContact CE1-CG 4.01Å; I132-E136 WeakPolarHBondContact O-CB 3.39Å; I132-E136 PolarHBondContact O-N 3.42Å; T133-E136 PolarHBondContact O-N 3.16Å; E136-R139 PolarHBondContact O-N 3.32Å; E136-H140 WeakPolarHBondContact O-CB 3.46Å; E136-H140 PolarHBondContact O-N 3.48Å
137	L	98.8	Very high	98.6	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-64.1	-48.8	179.2	177.3	51.7	0	0	0	112.5	F126 I128 T133 R139 H140 I141 F173 T258 V260	F126-L137 HydrophobicContact CB-CB 4.32Å; F126-L137 HydrophobicContact CB-CD1 3.8Å; F126-L137 HydrophobicContact CB-CD2 4.05Å; F126-L137 HydrophobicContact CB-CG 4.29Å; F126-L137 HydrophobicContact CD1-CB 4.18Å; F126-L137 HydrophobicContact CD1-CD1 4.28Å; F126-L137 HydrophobicContact CD2-CD1 3.89Å; F126-L137 HydrophobicContact CG-CB 4.34Å; F126-L137 HydrophobicContact CG-CD1 3.72Å; F126-L137 HydrophobicContact CG-CG 4.48Å; I128-L137 HydrophobicContact CG1-CD2 4.46Å; T133-L137 WeakPolarHBondContact O-CB 3.15Å; T133-L137 PolarHBondContact O-N 3.36Å; L137-R139 VanDerWaalsContact C-N 3.31Å; L137-R139 PolarHBondContact O-N 3.43Å; L137-H140 PolarHBondContact O-N 3.45Å; L137-I141 HydrophobicContact CD1-CD1 3.77Å; L137-I141 HydrophobicContact CD1-CG1 3.94Å; L137-I141 HydrophobicContact CG-CD1 4.06Å; L137-I141 WeakPolarHBondContact O-CG1 3.22Å; L137-I141 PolarHBondContact O-N 3.44Å; L137-F173 HydrophobicContact CD2-CE2 4.15Å; L137-F173 HydrophobicContact CD2-CZ 3.84Å; L137-F173 HydrophobicContact CG-CZ 4.43Å; L137-T258 HydrophobicContact CD1-CG2 3.88Å; L137-V260 HydrophobicContact CD1-CG2 3.79Å; L137-V260 HydrophobicContact CD2-CG1 3.81Å; L137-V260 HydrophobicContact CD2-CG2 3.93Å
138	S	98.8	Very high	98.6	Very high	26 Å²	26	44.3 Å²	44.3	18%	0.182	22%	0.215	C	C	.	.	H	α-helix	trans	-60.2	-40.7	178.9	49.4	0	0	0	0	112.3	A53 S54 A134 R135 E142	A53-S138 WeakPolarHBondContact O-CB 3.09Å; A53-S138 PolarHBondContact O-OG 3.06Å; S54-S138 VanDerWaalsContact O-CA 3.26Å; S54-S138 WeakPolarHBondContact O-CA 3.46Å; S54-S138 WeakPolarHBondContact O-CB 3.4Å; S54-S138 PolarHBondContact O-N 3.06Å; A134-S138 WeakPolarHBondContact O-CB 3.22Å; A134-S138 PolarHBondContact O-N 3.47Å; A134-S138 PolarHBondContact O-OG 2.93Å; R135-S138 WeakPolarHBondContact CA-OG 3.38Å; R135-S138 PolarHBondContact O-OG 3.23Å; S138-E142 PolarHBondContact O-N 3.03Å; S138-E142 VanDerWaalsContact O-N 3.16Å
139	R	98.8	Very high	98.6	Very high	128 Å²	128	45.3 Å²	45.3	48%	0.483	23%	0.226	S	C	.	.	H	α-helix	trans	-64.8	-47.4	173.6	-174.4	-174.8	-59.5	119.6	2.4	111.7	R135 E136 L137 I141 E142 D143	R135-R139 WeakPolarHBondContact O-CB 3.5Å; R135-R139 PolarHBondContact O-N 3.38Å; E136-R139 PolarHBondContact O-N 3.32Å; L137-R139 VanDerWaalsContact C-N 3.31Å; L137-R139 PolarHBondContact O-N 3.43Å; R139-I141 VanDerWaalsContact C-N 3.31Å; R139-I141 PolarHBondContact O-N 3.3Å; R139-E142 PolarHBondContact O-N 3.02Å; R139-D143 WeakPolarHBondContact O-CB 3.15Å; R139-D143 VanDerWaalsContact O-CG 3.29Å; R139-D143 PolarHBondContact O-N 3.07Å
140	H	98.8	Very high	98.6	Very high	48 Å²	48	47.5 Å²	47.5	22%	0.222	25%	0.251	C	S	.	.	H	α-helix	trans	-56.3	-45.8	179.1	173.3	87	0	0	0	111.8	F126 E136 L137 D143 K144 G257 T258	F126-H140 HydrophobicContact CE1-CB 4.14Å; F126-H140 HydrophobicContact CE2-CB 4.25Å; F126-H140 AromaticContact CE2-CD2 3.45Å; F126-H140 VanDerWaalsContact CE2-CD2 3.45Å; F126-H140 WeakPolarHBondContact CE2-CD2 3.25Å; F126-H140 AromaticContact CE2-CE1 3.82Å; F126-H140 AromaticContact CE2-CG 3.58Å; F126-H140 AromaticContact CE2-ND1 3.83Å; F126-H140 AromaticContact CE2-NE2 3.62Å; F126-H140 HydrophobicContact CZ-CB 3.67Å; F126-H140 AromaticContact CZ-CD2 3.75Å; F126-H140 AromaticContact CZ-CE1 3.92Å; F126-H140 AromaticContact CZ-CG 3.33Å; F126-H140 AromaticContact CZ-ND1 3.48Å; F126-H140 WeakPolarHBondContact CZ-ND1 3.27Å; E136-H140 WeakPolarHBondContact O-CB 3.46Å; E136-H140 PolarHBondContact O-N 3.48Å; L137-H140 PolarHBondContact O-N 3.45Å; H140-D143 PolarHBondContact O-N 2.95Å; H140-K144 WeakPolarHBondContact O-CG 3.42Å; H140-K144 PolarHBondContact O-N 3.36Å; H140-G257 PolarHBondContact NE2-O 2.81Å; H140-T258 PolarHBondContact CD2-OG1 2.85Å; H140-T258 VanDerWaalsContact CD2-OG1 3.29Å; H140-T258 PolarHBondContact NE2-OG1 3.44Å; H140-T258 VanDerWaalsContact NE2-OG1 3.13Å
141	I	98.9	Very high	98.6	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.01	25%	0.253	C	S	.	.	H	α-helix	trans	-59.4	-50	177	-67.2	170	0	0	0	110	L137 R139 D143 K144 F145 I161 F173 L177 L184 T258	L137-I141 HydrophobicContact CD1-CD1 3.77Å; L137-I141 HydrophobicContact CD1-CG1 3.94Å; L137-I141 HydrophobicContact CG-CD1 4.06Å; L137-I141 WeakPolarHBondContact O-CG1 3.22Å; L137-I141 PolarHBondContact O-N 3.44Å; R139-I141 VanDerWaalsContact C-N 3.31Å; R139-I141 PolarHBondContact O-N 3.3Å; I141-D143 PolarHBondContact O-N 2.93Å; I141-K144 WeakPolarHBondContact O-CB 3.26Å; I141-K144 PolarHBondContact O-N 3.4Å; I141-F145 HydrophobicContact CG2-CD2 4.42Å; I141-F145 HydrophobicContact CG2-CE2 4.34Å; I141-F145 WeakPolarHBondContact O-CD2 3.42Å; I141-F145 PolarHBondContact O-N 2.68Å; I141-I161 HydrophobicContact CG2-CD1 4.34Å; I141-F173 HydrophobicContact CD1-CZ 4.19Å; I141-L177 HydrophobicContact CD1-CD2 4.03Å; I141-L184 HydrophobicContact CG2-CD1 3.95Å; I141-T258 HydrophobicContact CG1-CG2 4.12Å
142	E	98.8	Very high	98.5	Very high	44 Å²	44	57.6 Å²	57.6	21%	0.206	30%	0.297	C	S	.	.	H	α-helix	trans	-64.2	-40.1	-179.6	-177	160.7	-177.1	0	0	112.8	S138 R139 K144 F145 A146 R180 L184 K187 Y188	S138-E142 PolarHBondContact O-N 3.03Å; S138-E142 VanDerWaalsContact O-N 3.16Å; R139-E142 PolarHBondContact O-N 3.02Å; E142-K144 VanDerWaalsContact C-N 3.29Å; E142-K144 PolarHBondContact O-N 3.21Å; E142-F145 PolarHBondContact O-N 3.1Å; E142-F145 VanDerWaalsContact O-N 3.17Å; E142-A146 PolarHBondContact O-N 2.91Å; E142-R180 IonicContact OE2-NH2 3.01Å; E142-R180 PolarHBondContact OE2-NH2 3.15Å; E142-L184 HydrophobicContact CB-CD2 4.4Å; E142-L184 HydrophobicContact CG-CD2 4.1Å; E142-K187 IonicContact OE1-NZ 3.95Å; E142-K187 PolarHBondContact OE1-NZ 3.4Å; E142-Y188 HydrophobicContact CG-CE2 3.78Å; E142-Y188 WeakPolarHBondContact CG-OH 3.44Å; E142-Y188 PolarHBondContact OE1-OH 3.22Å
143	D	98.8	Very high	98.5	Very high	77 Å²	77	61.2 Å²	61.2	41%	0.412	31%	0.311	S	S	.	.	H	α-helix	trans	-62.4	-36.5	176.3	-74.2	-11.9	0	0	0	111.2	R139 H140 I141 A146 N147	R139-D143 WeakPolarHBondContact O-CB 3.15Å; R139-D143 VanDerWaalsContact O-CG 3.29Å; R139-D143 PolarHBondContact O-N 3.07Å; H140-D143 PolarHBondContact O-N 2.95Å; I141-D143 PolarHBondContact O-N 2.93Å; D143-A146 PolarHBondContact O-N 3.19Å; D143-N147 VanDerWaalsContact O-CB 3.25Å; D143-N147 WeakPolarHBondContact O-CB 3.49Å; D143-N147 PolarHBondContact O-N 2.93Å; D143-N147 PolarHBondContact O-ND2 3.23Å; D143-N147 VanDerWaalsContact O-ND2 3.08Å
144	K	98.8	Very high	98.4	Very high	47 Å²	47	64.3 Å²	64.3	20%	0.204	32%	0.323	C	S	.	.	H	α-helix	trans	-61.3	-42.8	173.4	-78.6	-66.1	-170.3	175.4	0	112.5	H140 I141 E142 Y148 D158 G257	H140-K144 WeakPolarHBondContact O-CG 3.42Å; H140-K144 PolarHBondContact O-N 3.36Å; I141-K144 WeakPolarHBondContact O-CB 3.26Å; I141-K144 PolarHBondContact O-N 3.4Å; E142-K144 VanDerWaalsContact C-N 3.29Å; E142-K144 PolarHBondContact O-N 3.21Å; K144-Y148 WeakPolarHBondContact O-CB 3.06Å; K144-Y148 PolarHBondContact O-N 3.4Å; K144-D158 HydrophobicContact CD-CB 4.27Å; K144-D158 IonicContact NZ-OD1 3.11Å; K144-D158 PolarHBondContact NZ-OD1 3.21Å; K144-G257 VanDerWaalsContact CE-O 3.25Å; K144-G257 WeakPolarHBondContact CE-O 3.4Å
145	F	98.8	Very high	98.4	Very high	3 Å²	3	68.6 Å²	68.6	1%	0.013	35%	0.346	C	S	.	.	H	α-helix	trans	-65.1	-42.5	173.6	-83.5	-99.5	0	0	0	112.2	I141 E142 Y148 A149 L159 I181 L184 Y188 V190 V195	I141-F145 HydrophobicContact CG2-CD2 4.42Å; I141-F145 HydrophobicContact CG2-CE2 4.34Å; I141-F145 WeakPolarHBondContact O-CD2 3.42Å; I141-F145 PolarHBondContact O-N 2.68Å; E142-F145 PolarHBondContact O-N 3.1Å; E142-F145 VanDerWaalsContact O-N 3.17Å; F145-Y148 PolarHBondContact O-N 3.39Å; F145-A149 WeakPolarHBondContact O-CB 3.44Å; F145-A149 PolarHBondContact O-N 2.9Å; F145-L159 HydrophobicContact CD1-CD2 3.88Å; F145-L159 HydrophobicContact CD2-CD2 4.33Å; F145-L159 HydrophobicContact CE1-CD2 3.86Å; F145-L159 HydrophobicContact CE2-CD2 4.33Å; F145-L159 HydrophobicContact CG-CD2 4.11Å; F145-L159 HydrophobicContact CZ-CD2 4.09Å; F145-I181 HydrophobicContact CE2-CD1 3.84Å; F145-I181 HydrophobicContact CZ-CD1 3.76Å; F145-L184 HydrophobicContact CD1-CB 3.98Å; F145-L184 HydrophobicContact CD2-CB 4.4Å; F145-L184 HydrophobicContact CD2-CD1 4.05Å; F145-L184 HydrophobicContact CE1-CB 4.13Å; F145-L184 HydrophobicContact CE2-CD1 4.14Å; F145-L184 HydrophobicContact CG-CB 4.13Å; F145-L184 HydrophobicContact CZ-CB 4.42Å; F145-Y188 HydrophobicContact CB-CD2 3.6Å; F145-Y188 HydrophobicContact CB-CE2 4.17Å; F145-Y188 HydrophobicContact CB-CG 4.03Å; F145-Y188 HydrophobicContact CG-CD2 4.49Å; F145-V190 HydrophobicContact CD1-CB 4.37Å; F145-V190 HydrophobicContact CD1-CG2 4Å; F145-V190 HydrophobicContact CE1-CB 4.4Å; F145-V190 HydrophobicContact CE1-CG1 4.3Å; F145-V190 HydrophobicContact CE1-CG2 4.48Å; F145-V195 HydrophobicContact CE1-CG2 3.94Å; F145-V195 HydrophobicContact CZ-CG1 4.24Å; F145-V195 HydrophobicContact CZ-CG2 3.83Å
146	A	98.7	Very high	98.4	Very high	27 Å²	27	67 Å²	67	22%	0.223	34%	0.344	C	S	.	.	H	α-helix	trans	-63.2	-44.3	177.7	0	0	0	0	0	112.2	E142 D143 A149 A150 Y188	E142-A146 PolarHBondContact O-N 2.91Å; D143-A146 PolarHBondContact O-N 3.19Å; A146-A149 WeakPolarHBondContact O-CB 3.48Å; A146-A149 PolarHBondContact O-N 3.45Å; A146-A150 WeakPolarHBondContact O-CB 3.37Å; A146-A150 PolarHBondContact O-N 3.48Å; A146-Y188 HydrophobicContact CB-CD1 4.1Å; A146-Y188 HydrophobicContact CB-CE1 3.55Å
147	N	98.6	Very high	98.4	Very high	95 Å²	95	64.1 Å²	64.1	51%	0.508	33%	0.332	S	S	.	.	H	α-helix	trans	-66.1	-43.3	178	-68.5	-24.8	0	0	0	111.3	D143 A149 A150 S151	D143-N147 VanDerWaalsContact O-CB 3.25Å; D143-N147 WeakPolarHBondContact O-CB 3.49Å; D143-N147 PolarHBondContact O-N 2.93Å; D143-N147 PolarHBondContact O-ND2 3.23Å; D143-N147 VanDerWaalsContact O-ND2 3.08Å; N147-A149 VanDerWaalsContact C-N 3.29Å; N147-A149 PolarHBondContact O-N 3.38Å; N147-A150 PolarHBondContact O-N 2.65Å; N147-S151 WeakPolarHBondContact O-CB 3.44Å; N147-S151 PolarHBondContact O-N 2.99Å
148	Y	98.7	Very high	98.3	Very high	12 Å²	12	65.8 Å²	65.8	5%	0.047	34%	0.342	C	S	.	.	H	α-helix	trans	-56.4	-46	172.2	177.4	-86.7	0	0	0	110.3	K144 F145 A150 S151 K154 D155 D156 L159 V190 K194	K144-Y148 WeakPolarHBondContact O-CB 3.06Å; K144-Y148 PolarHBondContact O-N 3.4Å; F145-Y148 PolarHBondContact O-N 3.39Å; Y148-A150 PolarHBondContact O-N 3.3Å; Y148-S151 PolarHBondContact O-N 3.07Å; Y148-S151 PolarHBondContact O-OG 2.67Å; Y148-K154 HydrophobicContact CD1-CD 4.26Å; Y148-K154 HydrophobicContact CD2-CB 4.49Å; Y148-K154 HydrophobicContact CD2-CD 4.45Å; Y148-K154 HydrophobicContact CE1-CD 3.89Å; Y148-K154 HydrophobicContact CE1-CG 4.44Å; Y148-K154 HydrophobicContact CE2-CB 3.63Å; Y148-K154 HydrophobicContact CE2-CD 4.11Å; Y148-K154 HydrophobicContact CE2-CG 4.27Å; Y148-K154 VanDerWaalsContact O-CD 3.24Å; Y148-K154 WeakPolarHBondContact O-CD 3.35Å; Y148-K154 WeakPolarHBondContact O-CE 3.49Å; Y148-K154 PolarHBondContact O-NZ 3Å; Y148-D155 WeakPolarHBondContact CD2-O 3.34Å; Y148-D156 WeakPolarHBondContact CE2-OD1 3.45Å; Y148-D156 PolarHBondContact OH-OD1 2.75Å; Y148-D156 VanDerWaalsContact OH-OD1 3.08Å; Y148-L159 HydrophobicContact CD1-CD1 4.09Å; Y148-L159 HydrophobicContact CD1-CD2 4.16Å; Y148-L159 HydrophobicContact CD1-CG 4.43Å; Y148-L159 HydrophobicContact CD2-CD1 3.83Å; Y148-L159 HydrophobicContact CD2-CD2 4.16Å; Y148-L159 HydrophobicContact CD2-CG 3.8Å; Y148-L159 HydrophobicContact CE1-CD1 3.97Å; Y148-L159 HydrophobicContact CE2-CD1 3.68Å; Y148-L159 HydrophobicContact CE2-CG 4.14Å; Y148-L159 HydrophobicContact CG-CD1 4.03Å; Y148-L159 HydrophobicContact CG-CD2 3.79Å; Y148-L159 HydrophobicContact CG-CG 3.96Å; Y148-V190 HydrophobicContact CD1-CG2 3.62Å; Y148-V190 HydrophobicContact CE1-CG1 4.22Å; Y148-V190 HydrophobicContact CE1-CG2 3.87Å; Y148-K194 WeakPolarHBondContact OH-CD 3.3Å; Y148-K194 PolarHBondContact OH-NZ 3.31Å
149	A	98.1	Very high	98.3	Very high	39 Å²	39	64.6 Å²	64.6	32%	0.322	33%	0.333	S	S	.	.	H	α-helix	trans	-63.5	-37.8	178	0	0	0	0	0	113.3	F145 A146 N147 K154 Y188	F145-A149 WeakPolarHBondContact O-CB 3.44Å; F145-A149 PolarHBondContact O-N 2.9Å; A146-A149 WeakPolarHBondContact O-CB 3.48Å; A146-A149 PolarHBondContact O-N 3.45Å; N147-A149 VanDerWaalsContact C-N 3.29Å; N147-A149 PolarHBondContact O-N 3.38Å; A149-K154 VanDerWaalsContact C-NZ 3.31Å; A149-K154 PolarHBondContact O-NZ 3.34Å; A149-Y188 HydrophobicContact CB-CD1 4.37Å; A149-Y188 WeakPolarHBondContact CB-O 3.43Å
150	A	98.1	Very high	98.3	Very high	84 Å²	84	58.8 Å²	58.8	69%	0.694	31%	0.312	S	S	*	.	H	α-helix	trans	-77.5	-26.3	-179.8	0	0	0	0	0	114.3	A146 N147 Y148	A146-A150 WeakPolarHBondContact O-CB 3.37Å; A146-A150 PolarHBondContact O-N 3.48Å; N147-A150 PolarHBondContact O-N 2.65Å; Y148-A150 PolarHBondContact O-N 3.3Å
151	S	97.9	Very high	98.3	Very high	36 Å²	36	56.6 Å²	56.6	25%	0.252	30%	0.302	S	S	.	.			trans	-65.6	145.8	-178.2	68.7	0	0	0	0	112.3	N147 Y148 E153 K154	N147-S151 WeakPolarHBondContact O-CB 3.44Å; N147-S151 PolarHBondContact O-N 2.99Å; Y148-S151 PolarHBondContact O-N 3.07Å; Y148-S151 PolarHBondContact O-OG 2.67Å; S151-E153 WeakPolarHBondContact CB-O 3.48Å; S151-E153 PolarHBondContact OG-O 2.71Å; S151-K154 PolarHBondContact O-NZ 3.44Å
152	K	97	Very high	98.3	Very high	218 Å²	218	56.7 Å²	56.7	95%	0.948	30%	0.302	S	S	*	.	S	Bend	trans	-78.9	-46.1	173.3	-71.7	-175.4	178.3	179.6	0	111.5
153	E	97.4	Very high	98.3	Very high	178 Å²	178	54.6 Å²	54.6	83%	0.832	29%	0.293	S	S	*	.	S	Bend	trans	-94.9	115.6	172.1	-177.7	165.8	-159.1	0	0	107.9	S151	S151-E153 WeakPolarHBondContact CB-O 3.48Å; S151-E153 PolarHBondContact OG-O 2.71Å
154	K	97.4	Very high	98.3	Very high	86 Å²	86	50.9 Å²	50.9	37%	0.374	27%	0.273	S	S	.	.			trans	-83.6	112.6	-176.1	-61.5	-55.8	-171.7	-160.1	0	109.3	Y148 A149 S151	Y148-K154 HydrophobicContact CD1-CD 4.26Å; Y148-K154 HydrophobicContact CD2-CB 4.49Å; Y148-K154 HydrophobicContact CD2-CD 4.45Å; Y148-K154 HydrophobicContact CE1-CD 3.89Å; Y148-K154 HydrophobicContact CE1-CG 4.44Å; Y148-K154 HydrophobicContact CE2-CB 3.63Å; Y148-K154 HydrophobicContact CE2-CD 4.11Å; Y148-K154 HydrophobicContact CE2-CG 4.27Å; Y148-K154 VanDerWaalsContact O-CD 3.24Å; Y148-K154 WeakPolarHBondContact O-CD 3.35Å; Y148-K154 WeakPolarHBondContact O-CE 3.49Å; Y148-K154 PolarHBondContact O-NZ 3Å; A149-K154 VanDerWaalsContact C-NZ 3.31Å; A149-K154 PolarHBondContact O-NZ 3.34Å; S151-K154 PolarHBondContact O-NZ 3.44Å
155	D	98	Very high	98.3	Very high	91 Å²	91	48.7 Å²	48.7	49%	0.487	26%	0.264	S	S	.	.			trans	-95.1	108	167	-175.4	0.8	0	0	0	109.4	Y148 N157 D158	Y148-D155 WeakPolarHBondContact CD2-O 3.34Å; D155-N157 PolarHBondContact O-N 3.26Å; D155-N157 VanDerWaalsContact O-N 3.11Å; D155-N157 WeakPolarHBondContact OD1-CB 3.35Å; D155-N157 PolarHBondContact OD1-N 2.88Å; D155-D158 WeakPolarHBondContact O-CB 3.16Å; D155-D158 PolarHBondContact O-N 2.99Å; D155-D158 VanDerWaalsContact O-N 3.1Å
156	D	98.3	Very high	98.2	Very high	60 Å²	60	48.6 Å²	48.6	32%	0.321	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-63.1	-16.8	179.1	-67.2	-12.4	0	0	0	112.1	Y148 D158 L159 K194	Y148-D156 WeakPolarHBondContact CE2-OD1 3.45Å; Y148-D156 PolarHBondContact OH-OD1 2.75Å; Y148-D156 VanDerWaalsContact OH-OD1 3.08Å; D156-D158 PolarHBondContact O-N 3.46Å; D156-L159 WeakPolarHBondContact O-CB 3.36Å; D156-L159 PolarHBondContact O-N 3.5Å; D156-K194 IonicContact OD1-NZ 2.62Å; D156-K194 PolarHBondContact OD1-NZ 2.85Å; D156-K194 IonicContact OD2-NZ 3.48Å; D156-K194 PolarHBondContact OD2-NZ 3.24Å
157	N	98.1	Very high	98.2	Very high	45 Å²	45	48.2 Å²	48.2	24%	0.241	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-65.4	-25.7	174.5	-168.2	69.4	0	0	0	113.2	D155 L159 S160 N255 A256 G257	D155-N157 PolarHBondContact O-N 3.26Å; D155-N157 VanDerWaalsContact O-N 3.11Å; D155-N157 WeakPolarHBondContact OD1-CB 3.35Å; D155-N157 PolarHBondContact OD1-N 2.88Å; N157-L159 PolarHBondContact O-N 2.86Å; N157-S160 PolarHBondContact O-N 3.32Å; N157-N255 WeakPolarHBondContact OD1-CB 3.48Å; N157-N255 PolarHBondContact OD1-O 3.34Å; N157-A256 PolarHBondContact OD1-N 2.98Å; N157-G257 PolarHBondContact O-N 3.49Å
158	D	98.3	Very high	98.1	Very high	36 Å²	36	45.9 Å²	45.9	19%	0.193	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-60.3	-26.5	171.9	-84.9	-27.2	0	0	0	112.1	K144 D155 D156	K144-D158 HydrophobicContact CD-CB 4.27Å; K144-D158 IonicContact NZ-OD1 3.11Å; K144-D158 PolarHBondContact NZ-OD1 3.21Å; D155-D158 WeakPolarHBondContact O-CB 3.16Å; D155-D158 PolarHBondContact O-N 2.99Å; D155-D158 VanDerWaalsContact O-N 3.1Å; D156-D158 PolarHBondContact O-N 3.46Å
159	L	98.8	Very high	98	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-93	0.9	179.2	-52.1	174	0	0	0	112.7	F145 Y148 D156 N157 V190 K194 V195 K196	F145-L159 HydrophobicContact CD1-CD2 3.88Å; F145-L159 HydrophobicContact CD2-CD2 4.33Å; F145-L159 HydrophobicContact CE1-CD2 3.86Å; F145-L159 HydrophobicContact CE2-CD2 4.33Å; F145-L159 HydrophobicContact CG-CD2 4.11Å; F145-L159 HydrophobicContact CZ-CD2 4.09Å; Y148-L159 HydrophobicContact CD1-CD1 4.09Å; Y148-L159 HydrophobicContact CD1-CD2 4.16Å; Y148-L159 HydrophobicContact CD1-CG 4.43Å; Y148-L159 HydrophobicContact CD2-CD1 3.83Å; Y148-L159 HydrophobicContact CD2-CD2 4.16Å; Y148-L159 HydrophobicContact CD2-CG 3.8Å; Y148-L159 HydrophobicContact CE1-CD1 3.97Å; Y148-L159 HydrophobicContact CE2-CD1 3.68Å; Y148-L159 HydrophobicContact CE2-CG 4.14Å; Y148-L159 HydrophobicContact CG-CD1 4.03Å; Y148-L159 HydrophobicContact CG-CD2 3.79Å; Y148-L159 HydrophobicContact CG-CG 3.96Å; D156-L159 WeakPolarHBondContact O-CB 3.36Å; D156-L159 PolarHBondContact O-N 3.5Å; N157-L159 PolarHBondContact O-N 2.86Å; L159-V190 HydrophobicContact CD1-CG1 3.4Å; L159-V190 HydrophobicContact CD2-CG1 4.22Å; L159-V190 HydrophobicContact CG-CG1 4.43Å; L159-K194 HydrophobicContact CD1-CB 3.94Å; L159-V195 HydrophobicContact CB-CG2 4.27Å; L159-V195 HydrophobicContact CD1-CG2 4.48Å; L159-V195 WeakPolarHBondContact O-CG1 3.39Å; L159-K196 PolarHBondContact O-N 3.22Å
160	S	98.9	Very high	98	Very high	6 Å²	6	46.2 Å²	46.2	4%	0.042	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	135	176.7	-176.8	0	0	0	0	111.3	N157 K196 N255 A256 G257 T258	N157-S160 PolarHBondContact O-N 3.32Å; S160-K196 CarbonylContact C-O 3.55Å; S160-K196 VanDerWaalsContact CA-O 3.26Å; S160-K196 WeakPolarHBondContact CA-O 3.31Å; S160-K196 PolarHBondContact OG-O 2.91Å; S160-N255 PolarHBondContact OG-O 3.04Å; S160-A256 WeakPolarHBondContact O-CB 3.27Å; S160-G257 PolarHBondContact O-N 3.31Å; S160-G257 VanDerWaalsContact O-N 3.13Å; S160-T258 PolarHBondContact O-N 2.85Å
161	I	99	Very high	98.1	Very high	3 Å²	3	42.2 Å²	42.2	2%	0.015	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	122.1	-179.7	-54.9	175.9	0	0	0	108.7	I141 V163 L177 I181 K196 I197 T198 T258	I141-I161 HydrophobicContact CG2-CD1 4.34Å; I161-V163 HydrophobicContact CG2-CG2 4.37Å; I161-L177 HydrophobicContact CD1-CD1 4.37Å; I161-L177 HydrophobicContact CD1-CD2 4.21Å; I161-L177 HydrophobicContact CG2-CD1 4Å; I161-I181 HydrophobicContact CD1-CD1 4.12Å; I161-K196 PolarHBondContact N-O 2.95Å; I161-I197 WeakPolarHBondContact O-CA 3.21Å; I161-T198 PolarHBondContact O-N 2.85Å; I161-T258 CarbonylContact C-O 3.58Å; I161-T258 WeakPolarHBondContact CA-O 3.41Å; I161-T258 HydrophobicContact CG2-CG2 4.37Å
162	L	99	Very high	98.1	Very high	3 Å²	3	40.9 Å²	40.9	2%	0.016	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	133	171.2	-76.6	166.7	0	0	0	110.5	T198 V200 F243 L254 A256 T258 V260	L162-T198 WeakPolarHBondContact CA-O 3.4Å; L162-T198 HydrophobicContact CD2-CG2 4.1Å; L162-V200 HydrophobicContact CD2-CG2 4.16Å; L162-F243 HydrophobicContact CB-CD2 3.81Å; L162-F243 HydrophobicContact CB-CE2 3.67Å; L162-F243 HydrophobicContact CB-CG 4.48Å; L162-F243 HydrophobicContact CB-CZ 4.26Å; L162-F243 HydrophobicContact CD1-CB 4Å; L162-F243 HydrophobicContact CD1-CD2 3.91Å; L162-F243 HydrophobicContact CD1-CG 3.92Å; L162-F243 HydrophobicContact CD2-CD2 4.21Å; L162-F243 HydrophobicContact CG-CD2 4.2Å; L162-L254 HydrophobicContact CD1-CB 3.8Å; L162-L254 HydrophobicContact CD2-CB 4.06Å; L162-L254 HydrophobicContact CD2-CD1 3.82Å; L162-A256 HydrophobicContact CB-CB 4.24Å; L162-A256 HydrophobicContact CD1-CB 3.64Å; L162-A256 HydrophobicContact CG-CB 3.68Å; L162-T258 PolarHBondContact N-O 3.11Å; L162-V260 PolarHBondContact O-N 3.3Å
163	V	98.9	Very high	98.2	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	115.1	173.3	-177.2	0	0	0	0	108.9	I161 F173 L174 L177 T198 C199 V200 V260	I161-V163 HydrophobicContact CG2-CG2 4.37Å; V163-F173 HydrophobicContact CG1-CD1 4.33Å; V163-F173 HydrophobicContact CG2-CD1 3.9Å; V163-F173 HydrophobicContact CG2-CE1 3.98Å; V163-L174 HydrophobicContact CB-CD2 4.12Å; V163-L174 HydrophobicContact CB-CG 4.48Å; V163-L174 HydrophobicContact CG1-CG 4.43Å; V163-L174 HydrophobicContact CG2-CD2 3.73Å; V163-L174 HydrophobicContact CG2-CG 4.34Å; V163-L177 HydrophobicContact CG2-CD1 4.38Å; V163-T198 PolarHBondContact N-O 2.9Å; V163-C199 CarbonylContact O-C 3.59Å; V163-C199 WeakPolarHBondContact O-CA 3.4Å; V163-V200 PolarHBondContact O-N 2.88Å; V163-V260 CarbonylContact C-O 3.58Å; V163-V260 WeakPolarHBondContact CA-O 3.43Å
164	G	98.7	Very high	98.3	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	113.1	175.9	0	0	0	0	0	110.9	V260 A262 A263	G164-V260 PolarHBondContact N-O 2.98Å; G164-A262 CarbonylContact O-C 3.53Å; G164-A262 WeakPolarHBondContact O-CA 3.39Å; G164-A262 PolarHBondContact O-N 2.83Å; G164-A263 PolarHBondContact O-N 2.9Å
165	G	97.7	Very high	98.3	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.01	10%	0.101	C	C	.	.			trans	107.6	123.6	179.2	0	0	0	0	0	113.1	G170 V200 E201	G165-G170 WeakPolarHBondContact O-CA 3.43Å; G165-V200 PolarHBondContact N-O 3.03Å; G165-E201 WeakPolarHBondContact CA-OE2 3.35Å
166	A	98	Very high	98.4	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.008	8%	0.079	C	C	.	.			trans	-102.3	29.5	172.4	0	0	0	0	0	111.5	E201 M206 L207	A166-E201 HydrophobicContact CB-CB 3.64Å; A166-E201 HydrophobicContact CB-CG 3.93Å; A166-E201 PolarHBondContact N-OE2 3.37Å; A166-M206 HydrophobicContact CB-CB 3.93Å; A166-M206 HydrophobicContact CB-CG 3.81Å; A166-M206 HydrophobicContact CB-SD 4.4Å; A166-M206 WeakPolarHBondContact O-CG 3.38Å; A166-L207 PolarHBondContact O-N 2.83Å
167	G	96.6	Very high	98.4	Very high	19 Å²	19	10.9 Å²	10.9	20%	0.196	6%	0.063	C	C	.	.	S	Bend	trans	-78.7	-175.3	167.2	0	0	0	0	0	112.1	T169 G170 V171	G167-T169 PolarHBondContact O-N 2.89Å; G167-G170 PolarHBondContact O-N 3Å; G167-V171 WeakPolarHBondContact O-CG2 3.37Å; G167-V171 PolarHBondContact O-N 3.33Å
168	F	97.1	Very high	98.4	Very high	46 Å²	46	9.3 Å²	9.3	20%	0.202	6%	0.055	C	C	.	.	H	α-helix	trans	-50.8	-54.7	-174.5	-156	-76.3	0	0	0	113.2	G170 V171 E172 L207 M209 F210 T352 V353 C354	F168-G170 PolarHBondContact O-N 3.44Å; F168-V171 PolarHBondContact O-N 3Å; F168-E172 HydrophobicContact CD1-CG 4.03Å; F168-E172 VanDerWaalsContact CE1-CD 3.45Å; F168-E172 HydrophobicContact CE1-CG 4.05Å; F168-E172 WeakPolarHBondContact CE1-OE1 3.43Å; F168-E172 WeakPolarHBondContact O-CG 3.5Å; F168-E172 PolarHBondContact O-N 2.84Å; F168-L207 HydrophobicContact CB-CD2 4.47Å; F168-M209 HydrophobicContact CB-CE 3.98Å; F168-M209 HydrophobicContact CD2-CE 4.02Å; F168-M209 HydrophobicContact CD2-SD 4.34Å; F168-F210 HydrophobicContact CD2-CE2 4.33Å; F168-F210 HydrophobicContact CD2-CZ 4.37Å; F168-F210 HydrophobicContact CE2-CE2 4.18Å; F168-F210 AromaticContact CE2-CZ 3.86Å; F168-F210 HydrophobicContact CE2-CZ 3.86Å; F168-T352 HydrophobicContact CE2-CG2 3.78Å; F168-T352 HydrophobicContact CZ-CG2 4.26Å; F168-V353 VanDerWaalsContact CZ-O 3.32Å; F168-V353 WeakPolarHBondContact CZ-O 3.36Å; F168-C354 HydrophobicContact CD1-CB 4.35Å; F168-C354 HydrophobicContact CD2-CB 4.12Å; F168-C354 HydrophobicContact CE1-CB 4Å; F168-C354 HydrophobicContact CE2-CB 3.76Å; F168-C354 HydrophobicContact CG-CB 4.43Å; F168-C354 VanDerWaalsContact CZ-CA 3.45Å; F168-C354 HydrophobicContact CZ-CB 3.71Å
169	T	97.6	Very high	98.4	Very high	57 Å²	57	9.9 Å²	9.9	35%	0.35	6%	0.058	S	C	.	.	H	α-helix	trans	-63.3	-41	-178.7	-55.5	0	0	0	0	113	I128 G167 V171 F173 A262	I128-T169 HydrophobicContact CB-CG2 4.43Å; I128-T169 HydrophobicContact CD1-CG2 4.26Å; I128-T169 HydrophobicContact CG2-CG2 4.4Å; G167-T169 PolarHBondContact O-N 2.89Å; T169-V171 VanDerWaalsContact C-N 3.35Å; T169-F173 WeakPolarHBondContact O-CB 3.35Å; T169-F173 PolarHBondContact O-N 3.31Å; T169-A262 HydrophobicContact CG2-CB 4.2Å
170	G	98.3	Very high	98.4	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-63.7	-41.9	178.2	0	0	0	0	0	111.8	G165 G167 F168 F173 L174	G165-G170 WeakPolarHBondContact O-CA 3.43Å; G167-G170 PolarHBondContact O-N 3Å; F168-G170 PolarHBondContact O-N 3.44Å; G170-F173 PolarHBondContact O-N 3.2Å; G170-L174 WeakPolarHBondContact O-CD1 3.46Å; G170-L174 WeakPolarHBondContact O-CG 3.5Å; G170-L174 PolarHBondContact O-N 3.01Å
171	V	98.7	Very high	98.4	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-68.8	-43.1	178.2	178.6	0	0	0	0	112.6	G167 F168 T169 F173 L174 G175 M206 L207 L222 L356	G167-V171 WeakPolarHBondContact O-CG2 3.37Å; G167-V171 PolarHBondContact O-N 3.33Å; F168-V171 PolarHBondContact O-N 3Å; T169-V171 VanDerWaalsContact C-N 3.35Å; V171-F173 VanDerWaalsContact C-N 3.31Å; V171-F173 PolarHBondContact O-N 3.13Å; V171-L174 PolarHBondContact O-N 3.34Å; V171-G175 PolarHBondContact O-N 2.94Å; V171-M206 HydrophobicContact CB-CE 4.3Å; V171-M206 HydrophobicContact CG1-CE 3.9Å; V171-M206 HydrophobicContact CG2-CE 3.36Å; V171-M206 HydrophobicContact CG2-CG 4.23Å; V171-M206 HydrophobicContact CG2-SD 4.4Å; V171-L207 HydrophobicContact CB-CD1 4.34Å; V171-L207 HydrophobicContact CB-CD2 4.23Å; V171-L207 HydrophobicContact CB-CG 4.44Å; V171-L207 HydrophobicContact CG1-CD1 4.09Å; V171-L207 HydrophobicContact CG2-CD1 4.02Å; V171-L207 HydrophobicContact CG2-CD2 3.98Å; V171-L207 HydrophobicContact CG2-CG 3.83Å; V171-L222 HydrophobicContact CG1-CD1 3.98Å; V171-L356 HydrophobicContact CG1-CD2 3.6Å
172	E	98.7	Very high	98.4	Very high	8 Å²	8	13.3 Å²	13.3	4%	0.037	8%	0.077	C	C	.	.	H	α-helix	trans	-59.5	-44.6	174.2	-68.8	-164.4	128.8	0	0	110.8	H51 F168 L174 G175 E176 C354 S355 K379	H51-E172 HydrophobicContact CB-CB 3.99Å; H51-E172 IonicContact CE1-OE1 2.91Å; H51-E172 PolarHBondContact CE1-OE1 2.81Å; H51-E172 IonicContact CE1-OE2 3.97Å; H51-E172 PolarHBondContact CE1-OE2 2.84Å; H51-E172 IonicContact ND1-OE2 3.21Å; H51-E172 PolarHBondContact ND1-OE2 3.25Å; H51-E172 VanDerWaalsContact ND1-OE2 3.13Å; H51-E172 IonicContact NE2-OE1 2.75Å; F168-E172 HydrophobicContact CD1-CG 4.03Å; F168-E172 VanDerWaalsContact CE1-CD 3.45Å; F168-E172 HydrophobicContact CE1-CG 4.05Å; F168-E172 WeakPolarHBondContact CE1-OE1 3.43Å; F168-E172 WeakPolarHBondContact O-CG 3.5Å; F168-E172 PolarHBondContact O-N 2.84Å; E172-L174 PolarHBondContact O-N 3.14Å; E172-G175 PolarHBondContact O-N 3.3Å; E172-E176 WeakPolarHBondContact O-CG 3.49Å; E172-E176 PolarHBondContact O-N 2.89Å; E172-C354 HydrophobicContact CG-CB 4.47Å; E172-C354 VanDerWaalsContact CG-SG 3.5Å; E172-S355 WeakPolarHBondContact CG-OG 3.17Å; E172-S355 PolarHBondContact OE1-N 3.42Å; E172-S355 VanDerWaalsContact OE1-N 3.13Å; E172-S355 PolarHBondContact OE1-OG 2.58Å; E172-K379 WeakPolarHBondContact OE1-CE 3.45Å
173	F	98.9	Very high	98.4	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-63.2	-41.7	177.9	-177.5	-115.3	0	0	0	112.9	H51 A55 I128 L137 I141 V163 T169 G170 V171 G175 E176 L177 V260	H51-F173 HydrophobicContact CB-CB 4.25Å; A55-F173 HydrophobicContact CB-CD2 4.39Å; A55-F173 HydrophobicContact CB-CE2 4.08Å; I128-F173 HydrophobicContact CD1-CB 3.9Å; I128-F173 HydrophobicContact CD1-CD1 4.22Å; I128-F173 HydrophobicContact CD1-CD2 3.8Å; I128-F173 HydrophobicContact CD1-CE2 4.39Å; I128-F173 HydrophobicContact CD1-CG 3.7Å; L137-F173 HydrophobicContact CD2-CE2 4.15Å; L137-F173 HydrophobicContact CD2-CZ 3.84Å; L137-F173 HydrophobicContact CG-CZ 4.43Å; I141-F173 HydrophobicContact CD1-CZ 4.19Å; V163-F173 HydrophobicContact CG1-CD1 4.33Å; V163-F173 HydrophobicContact CG2-CD1 3.9Å; V163-F173 HydrophobicContact CG2-CE1 3.98Å; T169-F173 WeakPolarHBondContact O-CB 3.35Å; T169-F173 PolarHBondContact O-N 3.31Å; G170-F173 PolarHBondContact O-N 3.2Å; V171-F173 VanDerWaalsContact C-N 3.31Å; V171-F173 PolarHBondContact O-N 3.13Å; F173-G175 VanDerWaalsContact C-N 3.32Å; F173-G175 PolarHBondContact O-N 3.44Å; F173-E176 PolarHBondContact O-N 3.2Å; F173-L177 HydrophobicContact CD1-CD1 4.02Å; F173-L177 HydrophobicContact CD1-CG 4.44Å; F173-L177 HydrophobicContact CE1-CD1 3.57Å; F173-L177 HydrophobicContact CE1-CD2 4.47Å; F173-L177 HydrophobicContact CE1-CG 4.08Å; F173-L177 HydrophobicContact CE2-CD2 4.35Å; F173-L177 HydrophobicContact CE2-CG 4.34Å; F173-L177 HydrophobicContact CZ-CD1 3.95Å; F173-L177 HydrophobicContact CZ-CD2 3.99Å; F173-L177 HydrophobicContact CZ-CG 4.02Å; F173-L177 WeakPolarHBondContact O-CG 3.36Å; F173-L177 PolarHBondContact O-N 2.95Å; F173-V260 HydrophobicContact CD1-CG1 4.32Å; F173-V260 HydrophobicContact CE1-CB 4.08Å; F173-V260 HydrophobicContact CE1-CG1 3.92Å; F173-V260 HydrophobicContact CE1-CG2 3.86Å; F173-V260 HydrophobicContact CZ-CG1 4.42Å; F173-V260 HydrophobicContact CZ-CG2 4.21Å
174	L	98.9	Very high	98.4	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-60.1	-43.3	172.9	-71.2	163.5	0	0	0	111.4	V163 G170 V171 E172 E176 L177 T178 I197 C199 L222 V227 F229	V163-L174 HydrophobicContact CB-CD2 4.12Å; V163-L174 HydrophobicContact CB-CG 4.48Å; V163-L174 HydrophobicContact CG1-CG 4.43Å; V163-L174 HydrophobicContact CG2-CD2 3.73Å; V163-L174 HydrophobicContact CG2-CG 4.34Å; G170-L174 WeakPolarHBondContact O-CD1 3.46Å; G170-L174 WeakPolarHBondContact O-CG 3.5Å; G170-L174 PolarHBondContact O-N 3.01Å; V171-L174 PolarHBondContact O-N 3.34Å; E172-L174 PolarHBondContact O-N 3.14Å; L174-E176 VanDerWaalsContact C-N 3.34Å; L174-E176 PolarHBondContact O-N 3.16Å; L174-L177 PolarHBondContact O-N 3.19Å; L174-T178 WeakPolarHBondContact O-CG2 3.48Å; L174-T178 PolarHBondContact O-N 3.36Å; L174-I197 HydrophobicContact CD2-CG2 3.45Å; L174-I197 VanDerWaalsContact CD2-CG2 3.45Å; L174-C199 HydrophobicContact CD1-CB 3.63Å; L174-C199 HydrophobicContact CD2-CB 4.38Å; L174-L222 HydrophobicContact CB-CD1 4.18Å; L174-L222 HydrophobicContact CB-CD2 4.11Å; L174-V227 HydrophobicContact CD1-CG1 4.3Å; L174-V227 HydrophobicContact CD2-CG1 3.88Å; L174-V227 HydrophobicContact CD2-CG2 4.37Å; L174-F229 HydrophobicContact CD1-CE1 4.17Å
175	G	98.8	Very high	98.4	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-55.1	-48.1	175	0	0	0	0	0	112.3	V171 E172 F173 T178 D179	V171-G175 PolarHBondContact O-N 2.94Å; E172-G175 PolarHBondContact O-N 3.3Å; F173-G175 VanDerWaalsContact C-N 3.32Å; F173-G175 PolarHBondContact O-N 3.44Å; G175-T178 PolarHBondContact O-N 3.2Å; G175-T178 PolarHBondContact O-OG1 3.31Å; G175-D179 PolarHBondContact O-N 3.04Å
176	E	98.9	Very high	98.4	Very high	4 Å²	4	23.2 Å²	23.2	2%	0.019	13%	0.134	C	C	.	.	H	α-helix	trans	-66.8	-37.3	177.7	-62.1	-56.6	130.6	0	0	113.2	H51 E52 A55 T57 E172 F173 L174 T178 D179 R180 G357	H51-E176 HydrophobicContact CB-CG 4.43Å; H51-E176 IonicContact CD2-OE1 3.62Å; E52-E176 HydrophobicContact CG-CG 4.14Å; A55-E176 HydrophobicContact CB-CB 3.43Å; A55-E176 VanDerWaalsContact CB-CB 3.43Å; T57-E176 VanDerWaalsContact CB-OE2 3.32Å; T57-E176 WeakPolarHBondContact CB-OE2 3.38Å; T57-E176 HydrophobicContact CG2-CB 4.33Å; T57-E176 PolarHBondContact OG1-OE2 3.39Å; E172-E176 WeakPolarHBondContact O-CG 3.49Å; E172-E176 PolarHBondContact O-N 2.89Å; F173-E176 PolarHBondContact O-N 3.2Å; L174-E176 VanDerWaalsContact C-N 3.34Å; L174-E176 PolarHBondContact O-N 3.16Å; E176-T178 VanDerWaalsContact C-N 3.27Å; E176-T178 PolarHBondContact O-N 3.44Å; E176-D179 PolarHBondContact O-N 3.11Å; E176-R180 WeakPolarHBondContact O-CB 3.26Å; E176-R180 PolarHBondContact O-N 3.48Å; E176-G357 WeakPolarHBondContact OE1-CA 3.48Å
177	L	98.9	Very high	98.5	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-59.8	-40.4	173	-72.3	178	0	0	0	111.1	A55 I141 I161 V163 F173 L174 D179 R180 I181 I197	A55-L177 HydrophobicContact CB-CD2 4.31Å; I141-L177 HydrophobicContact CD1-CD2 4.03Å; I161-L177 HydrophobicContact CD1-CD1 4.37Å; I161-L177 HydrophobicContact CD1-CD2 4.21Å; I161-L177 HydrophobicContact CG2-CD1 4Å; V163-L177 HydrophobicContact CG2-CD1 4.38Å; F173-L177 HydrophobicContact CD1-CD1 4.02Å; F173-L177 HydrophobicContact CD1-CG 4.44Å; F173-L177 HydrophobicContact CE1-CD1 3.57Å; F173-L177 HydrophobicContact CE1-CD2 4.47Å; F173-L177 HydrophobicContact CE1-CG 4.08Å; F173-L177 HydrophobicContact CE2-CD2 4.35Å; F173-L177 HydrophobicContact CE2-CG 4.34Å; F173-L177 HydrophobicContact CZ-CD1 3.95Å; F173-L177 HydrophobicContact CZ-CD2 3.99Å; F173-L177 HydrophobicContact CZ-CG 4.02Å; F173-L177 WeakPolarHBondContact O-CG 3.36Å; F173-L177 PolarHBondContact O-N 2.95Å; L174-L177 PolarHBondContact O-N 3.19Å; L177-D179 PolarHBondContact O-N 3.16Å; L177-R180 PolarHBondContact O-N 3.13Å; L177-R180 VanDerWaalsContact O-N 3.12Å; L177-I181 WeakPolarHBondContact O-CB 3.29Å; L177-I181 VanDerWaalsContact O-CG1 3.29Å; L177-I181 WeakPolarHBondContact O-CG1 3.37Å; L177-I181 PolarHBondContact O-N 3.24Å; L177-I197 HydrophobicContact CB-CD1 4.13Å; L177-I197 HydrophobicContact CD1-CG2 4.36Å
178	T	98.7	Very high	98.6	Very high	11 Å²	11	30.6 Å²	30.6	7%	0.067	16%	0.159	C	C	.	.	H	α-helix	trans	-64.7	-26.5	178.6	64.4	0	0	0	0	113.7	L174 G175 E176 P182 L222 R225 V227	L174-T178 WeakPolarHBondContact O-CG2 3.48Å; L174-T178 PolarHBondContact O-N 3.36Å; G175-T178 PolarHBondContact O-N 3.2Å; G175-T178 PolarHBondContact O-OG1 3.31Å; E176-T178 VanDerWaalsContact C-N 3.27Å; E176-T178 PolarHBondContact O-N 3.44Å; T178-P182 VanDerWaalsContact O-CD 3.22Å; T178-P182 WeakPolarHBondContact O-CD 3.21Å; T178-L222 HydrophobicContact CG2-CD2 3.95Å; T178-R225 HydrophobicContact CG2-CB 3.59Å; T178-V227 HydrophobicContact CG2-CG2 3.77Å
179	D	98.6	Very high	98.6	Very high	49 Å²	49	31.7 Å²	31.7	26%	0.262	18%	0.184	S	C	.	.	H	α-helix	trans	-80.4	-37.1	171.8	-76.7	0.3	0	0	0	111.5	T57 G175 E176 L177 G357 S358	T57-D179 HydrophobicContact CG2-CB 4.33Å; G175-D179 PolarHBondContact O-N 3.04Å; E176-D179 PolarHBondContact O-N 3.11Å; L177-D179 PolarHBondContact O-N 3.16Å; D179-G357 WeakPolarHBondContact OD2-CA 3.47Å; D179-S358 WeakPolarHBondContact OD2-CB 2.97Å; D179-S358 PolarHBondContact OD2-N 3.24Å; D179-S358 PolarHBondContact OD2-OG 3.34Å
180	R	98.7	Very high	98.7	Very high	24 Å²	24	29.5 Å²	29.5	9%	0.091	17%	0.17	C	C	.	.	H	α-helix	trans	-76.3	-45.3	-175.2	-173	68.7	177.5	145.2	-0.6	114.2	A55 G56 T57 E142 E176 L177 E183 L184	A55-R180 VanDerWaalsContact O-CG 3.28Å; A55-R180 WeakPolarHBondContact O-CG 3.26Å; G56-R180 PolarHBondContact O-NE 3.33Å; T57-R180 HydrophobicContact CG2-CB 3.94Å; E142-R180 IonicContact OE2-NH2 3.01Å; E142-R180 PolarHBondContact OE2-NH2 3.15Å; E176-R180 WeakPolarHBondContact O-CB 3.26Å; E176-R180 PolarHBondContact O-N 3.48Å; L177-R180 PolarHBondContact O-N 3.13Å; L177-R180 VanDerWaalsContact O-N 3.12Å; R180-E183 IonicContact CZ-OE1 2.72Å; R180-E183 IonicContact NH1-OE1 2.81Å; R180-E183 PolarHBondContact NH1-OE1 2.89Å; R180-E183 IonicContact NH1-OE2 2.67Å; R180-E183 PolarHBondContact NH1-OE2 3.01Å; R180-E183 WeakPolarHBondContact O-CB 3.32Å; R180-E183 PolarHBondContact O-N 2.86Å; R180-E183 VanDerWaalsContact O-N 3.08Å; R180-L184 HydrophobicContact CG-CD1 3.78Å; R180-L184 HydrophobicContact CG-CG 4.02Å; R180-L184 PolarHBondContact O-N 2.76Å; R180-L184 VanDerWaalsContact O-N 3.1Å
181	I	98.4	Very high	98.7	Very high	11 Å²	11	33.5 Å²	33.5	6%	0.056	19%	0.192	C	C	.	.	H	α-helix	trans	-56.6	-42.9	-171.6	-71.5	-42.8	0	0	0	112.3	F145 I161 L177 E183 L184 C185 V195 I197	F145-I181 HydrophobicContact CE2-CD1 3.84Å; F145-I181 HydrophobicContact CZ-CD1 3.76Å; I161-I181 HydrophobicContact CD1-CD1 4.12Å; L177-I181 WeakPolarHBondContact O-CB 3.29Å; L177-I181 VanDerWaalsContact O-CG1 3.29Å; L177-I181 WeakPolarHBondContact O-CG1 3.37Å; L177-I181 PolarHBondContact O-N 3.24Å; I181-E183 VanDerWaalsContact C-N 3.27Å; I181-E183 PolarHBondContact O-N 3.23Å; I181-L184 HydrophobicContact CD1-CD1 4.23Å; I181-L184 PolarHBondContact O-N 3.31Å; I181-C185 WeakPolarHBondContact O-CB 3.46Å; I181-C185 PolarHBondContact O-N 2.62Å; I181-C185 PolarHBondContact O-SG 2.75Å; I181-C185 VanDerWaalsContact O-SG 3.4Å; I181-V195 HydrophobicContact CD1-CG1 4.49Å; I181-V195 HydrophobicContact CG1-CG1 4.33Å; I181-V195 HydrophobicContact CG2-CB 4.14Å; I181-V195 HydrophobicContact CG2-CG1 3.8Å; I181-V195 HydrophobicContact CG2-CG2 4.04Å; I181-I197 HydrophobicContact CG1-CD1 4.02Å
182	P	98.6	Very high	98.6	Very high	46 Å²	46	38.2 Å²	38.2	30%	0.299	21%	0.214	S	C	.	.	H	α-helix	trans	-56.5	-38.9	176.3	-30.2	38	0	0	0	114.7	T178 S186 Q192	T178-P182 VanDerWaalsContact O-CD 3.22Å; T178-P182 WeakPolarHBondContact O-CD 3.21Å; P182-S186 WeakPolarHBondContact O-CB 3.32Å; P182-S186 PolarHBondContact O-N 3.06Å; P182-S186 VanDerWaalsContact O-N 3.1Å; P182-S186 PolarHBondContact O-OG 2.91Å; P182-Q192 VanDerWaalsContact CB-NE2 3.29Å
183	E	98.6	Very high	98.5	Very high	110 Å²	110	44.8 Å²	44.8	51%	0.514	25%	0.249	S	C	.	.	H	α-helix	trans	-68.6	-46.5	177.6	-166.9	-166	140.3	0	0	111	R180 I181 C185 S186 K187	R180-E183 IonicContact CZ-OE1 2.72Å; R180-E183 IonicContact NH1-OE1 2.81Å; R180-E183 PolarHBondContact NH1-OE1 2.89Å; R180-E183 IonicContact NH1-OE2 2.67Å; R180-E183 PolarHBondContact NH1-OE2 3.01Å; R180-E183 WeakPolarHBondContact O-CB 3.32Å; R180-E183 PolarHBondContact O-N 2.86Å; R180-E183 VanDerWaalsContact O-N 3.08Å; I181-E183 VanDerWaalsContact C-N 3.27Å; I181-E183 PolarHBondContact O-N 3.23Å; E183-C185 PolarHBondContact O-N 3.13Å; E183-S186 PolarHBondContact O-N 3.26Å; E183-K187 VanDerWaalsContact O-CB 3.31Å; E183-K187 WeakPolarHBondContact O-CB 3.37Å; E183-K187 PolarHBondContact O-N 2.91Å
184	L	98.7	Very high	98.5	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-61.8	-43.6	176.9	-69.7	178.2	0	0	0	111.9	I141 E142 F145 R180 I181 S186 K187 Y188	I141-L184 HydrophobicContact CG2-CD1 3.95Å; E142-L184 HydrophobicContact CB-CD2 4.4Å; E142-L184 HydrophobicContact CG-CD2 4.1Å; F145-L184 HydrophobicContact CD1-CB 3.98Å; F145-L184 HydrophobicContact CD2-CB 4.4Å; F145-L184 HydrophobicContact CD2-CD1 4.05Å; F145-L184 HydrophobicContact CE1-CB 4.13Å; F145-L184 HydrophobicContact CE2-CD1 4.14Å; F145-L184 HydrophobicContact CG-CB 4.13Å; F145-L184 HydrophobicContact CZ-CB 4.42Å; R180-L184 HydrophobicContact CG-CD1 3.78Å; R180-L184 HydrophobicContact CG-CG 4.02Å; R180-L184 PolarHBondContact O-N 2.76Å; R180-L184 VanDerWaalsContact O-N 3.1Å; I181-L184 HydrophobicContact CD1-CD1 4.23Å; I181-L184 PolarHBondContact O-N 3.31Å; L184-S186 VanDerWaalsContact C-N 3.34Å; L184-S186 PolarHBondContact O-N 3.41Å; L184-K187 PolarHBondContact O-N 3.17Å; L184-Y188 HydrophobicContact CD2-CD2 4.4Å; L184-Y188 HydrophobicContact CD2-CE2 4.04Å; L184-Y188 WeakPolarHBondContact O-CD2 3.44Å; L184-Y188 PolarHBondContact O-N 2.9Å
185	C	98.7	Very high	98.5	Very high	3 Å²	3	49.2 Å²	49.2	2%	0.02	27%	0.27	C	S	.	.	H	α-helix	trans	-57.9	-47.3	175.9	-78.2	0	0	0	0	111.8	I181 E183 K187 G189 V190 Q192 V195	I181-C185 WeakPolarHBondContact O-CB 3.46Å; I181-C185 PolarHBondContact O-N 2.62Å; I181-C185 PolarHBondContact O-SG 2.75Å; I181-C185 VanDerWaalsContact O-SG 3.4Å; E183-C185 PolarHBondContact O-N 3.13Å; C185-K187 PolarHBondContact O-N 2.59Å; C185-G189 WeakPolarHBondContact O-CA 3.47Å; C185-G189 PolarHBondContact O-N 3.41Å; C185-V190 HydrophobicContact CB-CB 4.39Å; C185-V190 WeakPolarHBondContact CB-O 3.32Å; C185-V190 PolarHBondContact O-N 3.01Å; C185-Q192 HydrophobicContact CB-CG 3.76Å; C185-V195 VanDerWaalsContact SG-CG2 3.56Å
186	S	98.7	Very high	98.5	Very high	98 Å²	98	53.8 Å²	53.8	69%	0.685	29%	0.29	S	S	*	.	H	α-helix	trans	-64.2	-41.2	178.3	-57.5	0	0	0	0	111.8	P182 E183 L184	P182-S186 WeakPolarHBondContact O-CB 3.32Å; P182-S186 PolarHBondContact O-N 3.06Å; P182-S186 VanDerWaalsContact O-N 3.1Å; P182-S186 PolarHBondContact O-OG 2.91Å; E183-S186 PolarHBondContact O-N 3.26Å; L184-S186 VanDerWaalsContact C-N 3.34Å; L184-S186 PolarHBondContact O-N 3.41Å
187	K	98.7	Very high	98.5	Very high	119 Å²	119	54 Å²	54	52%	0.517	29%	0.291	S	S	.	.	H	α-helix	trans	-65.7	-41.5	-179.8	-179.4	176.9	177.3	179.7	0	112.9	E142 E183 L184 C185	E142-K187 IonicContact OE1-NZ 3.95Å; E142-K187 PolarHBondContact OE1-NZ 3.4Å; E183-K187 VanDerWaalsContact O-CB 3.31Å; E183-K187 WeakPolarHBondContact O-CB 3.37Å; E183-K187 PolarHBondContact O-N 2.91Å; L184-K187 PolarHBondContact O-N 3.17Å; C185-K187 PolarHBondContact O-N 2.59Å
188	Y	98.6	Very high	98.5	Very high	55 Å²	55	54 Å²	54	22%	0.216	29%	0.291	C	S	.	.	H	α-helix	trans	-102.4	3.8	-173.6	-69.1	-70.9	0	0	0	114.2	E142 F145 A146 A149 L184	E142-Y188 HydrophobicContact CG-CE2 3.78Å; E142-Y188 WeakPolarHBondContact CG-OH 3.44Å; E142-Y188 PolarHBondContact OE1-OH 3.22Å; F145-Y188 HydrophobicContact CB-CD2 3.6Å; F145-Y188 HydrophobicContact CB-CE2 4.17Å; F145-Y188 HydrophobicContact CB-CG 4.03Å; F145-Y188 HydrophobicContact CG-CD2 4.49Å; A146-Y188 HydrophobicContact CB-CD1 4.1Å; A146-Y188 HydrophobicContact CB-CE1 3.55Å; A149-Y188 HydrophobicContact CB-CD1 4.37Å; A149-Y188 WeakPolarHBondContact CB-O 3.43Å; L184-Y188 HydrophobicContact CD2-CD2 4.4Å; L184-Y188 HydrophobicContact CD2-CE2 4.04Å; L184-Y188 WeakPolarHBondContact O-CD2 3.44Å; L184-Y188 PolarHBondContact O-N 2.9Å
189	G	98.2	Very high	98.5	Very high	70 Å²	70	53.6 Å²	53.6	72%	0.722	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.8	38	177.9	0	0	0	0	0	113.4	C185	C185-G189 WeakPolarHBondContact O-CA 3.47Å; C185-G189 PolarHBondContact O-N 3.41Å
190	V	98.6	Very high	98.5	Very high	11 Å²	11	51.3 Å²	51.3	7%	0.067	28%	0.276	C	S	.	.			trans	-102.1	135.9	180	179.9	0	0	0	0	109.8	F145 Y148 L159 C185 V195	F145-V190 HydrophobicContact CD1-CB 4.37Å; F145-V190 HydrophobicContact CD1-CG2 4Å; F145-V190 HydrophobicContact CE1-CB 4.4Å; F145-V190 HydrophobicContact CE1-CG1 4.3Å; F145-V190 HydrophobicContact CE1-CG2 4.48Å; Y148-V190 HydrophobicContact CD1-CG2 3.62Å; Y148-V190 HydrophobicContact CE1-CG1 4.22Å; Y148-V190 HydrophobicContact CE1-CG2 3.87Å; L159-V190 HydrophobicContact CD1-CG1 3.4Å; L159-V190 HydrophobicContact CD2-CG1 4.22Å; L159-V190 HydrophobicContact CG-CG1 4.43Å; C185-V190 HydrophobicContact CB-CB 4.39Å; C185-V190 WeakPolarHBondContact CB-O 3.32Å; C185-V190 PolarHBondContact O-N 3.01Å; V190-V195 HydrophobicContact CG1-CG2 4.27Å
191	D	98.2	Very high	98.5	Very high	84 Å²	84	51.4 Å²	51.4	45%	0.449	28%	0.278	S	S	.	.			trans	-72.3	124.8	168.8	179.9	5.1	0	0	0	109.5	N193 K194	D191-N193 PolarHBondContact O-N 3.03Å; D191-N193 VanDerWaalsContact O-N 3.15Å; D191-N193 PolarHBondContact OD1-N 2.72Å; D191-N193 PolarHBondContact OD1-ND2 2.7Å; D191-N193 PolarHBondContact OD2-ND2 2.97Å; D191-K194 HydrophobicContact CB-CD 4.26Å; D191-K194 HydrophobicContact CB-CG 4.38Å; D191-K194 WeakPolarHBondContact O-CB 3.17Å; D191-K194 PolarHBondContact O-N 3.02Å
192	Q	97.4	Very high	98.5	Very high	98 Å²	98	53.7 Å²	53.7	46%	0.458	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-56.5	-30.3	179.1	-71.3	179.2	4	0	0	112.6	P182 C185 K194 V195	P182-Q192 VanDerWaalsContact CB-NE2 3.29Å; C185-Q192 HydrophobicContact CB-CG 3.76Å; Q192-K194 PolarHBondContact O-N 2.9Å; Q192-K194 VanDerWaalsContact O-N 3.11Å; Q192-V195 PolarHBondContact O-N 3.32Å
193	N	97.7	Very high	98.4	Very high	146 Å²	146	53.3 Å²	53.3	78%	0.781	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-65.5	-14.3	179.1	-57.9	-51.6	0	0	0	113.7	D191	D191-N193 PolarHBondContact O-N 3.03Å; D191-N193 VanDerWaalsContact O-N 3.15Å; D191-N193 PolarHBondContact OD1-N 2.72Å; D191-N193 PolarHBondContact OD1-ND2 2.7Å; D191-N193 PolarHBondContact OD2-ND2 2.97Å
194	K	98.4	Very high	98.2	Very high	73 Å²	73	52.8 Å²	52.8	32%	0.317	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-88.1	-18	175	-67.3	174.6	154.5	-82.1	0	113	Y148 D156 L159 D191 Q192	Y148-K194 WeakPolarHBondContact OH-CD 3.3Å; Y148-K194 PolarHBondContact OH-NZ 3.31Å; D156-K194 IonicContact OD1-NZ 2.62Å; D156-K194 PolarHBondContact OD1-NZ 2.85Å; D156-K194 IonicContact OD2-NZ 3.48Å; D156-K194 PolarHBondContact OD2-NZ 3.24Å; L159-K194 HydrophobicContact CD1-CB 3.94Å; D191-K194 HydrophobicContact CB-CD 4.26Å; D191-K194 HydrophobicContact CB-CG 4.38Å; D191-K194 WeakPolarHBondContact O-CB 3.17Å; D191-K194 PolarHBondContact O-N 3.02Å; Q192-K194 PolarHBondContact O-N 2.9Å; Q192-K194 VanDerWaalsContact O-N 3.11Å
195	V	98.8	Very high	97.9	Very high	21 Å²	21	59.7 Å²	59.7	13%	0.127	34%	0.335	C	S	.	.			trans	-79.2	130.8	179.1	-175.4	0	0	0	0	108.6	F145 L159 I181 C185 V190 Q192 I197	F145-V195 HydrophobicContact CE1-CG2 3.94Å; F145-V195 HydrophobicContact CZ-CG1 4.24Å; F145-V195 HydrophobicContact CZ-CG2 3.83Å; L159-V195 HydrophobicContact CB-CG2 4.27Å; L159-V195 HydrophobicContact CD1-CG2 4.48Å; L159-V195 WeakPolarHBondContact O-CG1 3.39Å; I181-V195 HydrophobicContact CD1-CG1 4.49Å; I181-V195 HydrophobicContact CG1-CG1 4.33Å; I181-V195 HydrophobicContact CG2-CB 4.14Å; I181-V195 HydrophobicContact CG2-CG1 3.8Å; I181-V195 HydrophobicContact CG2-CG2 4.04Å; C185-V195 VanDerWaalsContact SG-CG2 3.56Å; V190-V195 HydrophobicContact CG1-CG2 4.27Å; Q192-V195 PolarHBondContact O-N 3.32Å; V195-I197 HydrophobicContact CG1-CG1 4.42Å
196	K	98.8	Very high	97.8	Very high	96 Å²	96	60 Å²	60	42%	0.417	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	116.3	178.1	-173.9	175.6	-175.3	174.7	0	110.6	L159 S160 I161 T198 E228	L159-K196 PolarHBondContact O-N 3.22Å; S160-K196 CarbonylContact C-O 3.55Å; S160-K196 VanDerWaalsContact CA-O 3.26Å; S160-K196 WeakPolarHBondContact CA-O 3.31Å; S160-K196 PolarHBondContact OG-O 2.91Å; I161-K196 PolarHBondContact N-O 2.95Å; K196-T198 WeakPolarHBondContact CE-OG1 3.36Å; K196-E228 WeakPolarHBondContact CE-OE2 3.45Å; K196-E228 IonicContact NZ-OE2 4Å; K196-E228 PolarHBondContact NZ-OE2 2.94Å
197	I	98.9	Very high	97.6	Very high	7 Å²	7	55.3 Å²	55.3	4%	0.036	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	123.6	172.4	-53.1	173.8	0	0	0	108.2	I161 L174 L177 I181 V195 V227 E228	I161-I197 WeakPolarHBondContact O-CA 3.21Å; L174-I197 HydrophobicContact CD2-CG2 3.45Å; L174-I197 VanDerWaalsContact CD2-CG2 3.45Å; L177-I197 HydrophobicContact CB-CD1 4.13Å; L177-I197 HydrophobicContact CD1-CG2 4.36Å; I181-I197 HydrophobicContact CG1-CD1 4.02Å; V195-I197 HydrophobicContact CG1-CG1 4.42Å; I197-V227 HydrophobicContact CB-CG2 4.31Å; I197-V227 HydrophobicContact CG2-CG1 4.33Å; I197-V227 HydrophobicContact CG2-CG2 4.1Å; I197-E228 PolarHBondContact O-N 2.81Å
198	T	98.9	Very high	97.3	Very high	2 Å²	2	54.4 Å²	54.4	1%	0.012	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	120.9	-179.7	-56.9	0	0	0	0	111.2	I161 L162 V163 K196 V200 E228 K230	I161-T198 PolarHBondContact O-N 2.85Å; L162-T198 WeakPolarHBondContact CA-O 3.4Å; L162-T198 HydrophobicContact CD2-CG2 4.1Å; V163-T198 PolarHBondContact N-O 2.9Å; K196-T198 WeakPolarHBondContact CE-OG1 3.36Å; T198-V200 HydrophobicContact CG2-CG2 4.21Å; T198-E228 CarbonylContact C-O 3.52Å; T198-E228 WeakPolarHBondContact CA-O 3.34Å; T198-E228 HydrophobicContact CG2-CB 4.39Å; T198-K230 HydrophobicContact CG2-CD 4.27Å; T198-K230 HydrophobicContact CG2-CG 4.35Å
199	C	98.9	Very high	97	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.007	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	128.7	173.5	-175.4	0	0	0	0	110	V163 L174 V227 E228 F229 K230	V163-C199 CarbonylContact O-C 3.59Å; V163-C199 WeakPolarHBondContact O-CA 3.4Å; L174-C199 HydrophobicContact CD1-CB 3.63Å; L174-C199 HydrophobicContact CD2-CB 4.38Å; C199-V227 HydrophobicContact CB-CG1 4.43Å; C199-E228 PolarHBondContact N-O 3.05Å; C199-F229 HydrophobicContact CB-CD1 3.67Å; C199-F229 HydrophobicContact CB-CE1 3.83Å; C199-K230 PolarHBondContact O-N 2.82Å
200	V	98.8	Very high	96.8	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.006	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	123.4	-179.7	-174.4	0	0	0	0	109.3	L162 V163 G165 T198 K230 T233 I235 F243 V245 L254	L162-V200 HydrophobicContact CD2-CG2 4.16Å; V163-V200 PolarHBondContact O-N 2.88Å; G165-V200 PolarHBondContact N-O 3.03Å; T198-V200 HydrophobicContact CG2-CG2 4.21Å; V200-K230 WeakPolarHBondContact CA-O 3.48Å; V200-K230 HydrophobicContact CG1-CB 4.5Å; V200-K230 HydrophobicContact CG2-CB 4.36Å; V200-T233 HydrophobicContact CG1-CG2 3.96Å; V200-T233 VanDerWaalsContact CG1-O 3.28Å; V200-T233 WeakPolarHBondContact CG1-O 3.48Å; V200-I235 HydrophobicContact CB-CD1 4.07Å; V200-I235 HydrophobicContact CB-CG1 4.14Å; V200-I235 HydrophobicContact CG1-CD1 4.06Å; V200-I235 HydrophobicContact CG1-CG1 3.62Å; V200-F243 HydrophobicContact CG2-CD2 4.44Å; V200-V245 HydrophobicContact CG1-CG1 3.84Å; V200-L254 HydrophobicContact CG2-CD1 3.79Å
201	E	98.3	Very high	96.6	Very high	27 Å²	27	56.7 Å²	56.7	13%	0.126	31%	0.31	C	S	.	.			trans	-130	128.2	-178.1	174.3	56.1	-104.2	0	0	110.5	G165 A166 A203 K230 I231 A232 T233	G165-E201 WeakPolarHBondContact CA-OE2 3.35Å; A166-E201 HydrophobicContact CB-CB 3.64Å; A166-E201 HydrophobicContact CB-CG 3.93Å; A166-E201 PolarHBondContact N-OE2 3.37Å; E201-A203 HydrophobicContact CG-CB 3.98Å; E201-A203 WeakPolarHBondContact OE1-CB 3.4Å; E201-A203 PolarHBondContact OE1-N 3.01Å; E201-K230 PolarHBondContact N-O 2.79Å; E201-I231 CarbonylContact O-C 3.49Å; E201-I231 WeakPolarHBondContact O-CA 3.43Å; E201-A232 PolarHBondContact O-N 2.74Å; E201-T233 CarbonylContact C-O 3.56Å; E201-T233 PolarHBondContact O-N 3.32Å
202	A	97.7	Very high	96.5	Very high	58 Å²	58	59.7 Å²	59.7	48%	0.479	32%	0.321	S	S	.	.	S	Bend	trans	-73.3	-32.7	178.8	0	0	0	0	0	111.9	P234	A202-P234 HydrophobicContact CB-CB 4.3Å
203	A	96.1	Very high	96.5	Very high	38 Å²	38	62 Å²	62	31%	0.314	33%	0.332	S	S	.	.	S	Bend	trans	-69.1	152.5	177.3	0	0	0	0	0	112	E201 K205 A232	E201-A203 HydrophobicContact CG-CB 3.98Å; E201-A203 WeakPolarHBondContact OE1-CB 3.4Å; E201-A203 PolarHBondContact OE1-N 3.01Å; A203-K205 PolarHBondContact O-N 3.13Å; A203-A232 PolarHBondContact O-N 3.21Å
204	P	94.6	Very high	96.5	Very high	100 Å²	100	55.2 Å²	55.2	65%	0.649	30%	0.296	S	S	*	.	S	Bend	trans	-74.6	-5.3	177.2	31.3	-36.6	0	0	0	113.7
205	K	94	Very high	96.5	Very high	146 Å²	146	52.7 Å²	52.7	64%	0.635	29%	0.287	S	S	*	.	S	Bend	trans	-137.4	129.8	-178.3	-66.9	-169.2	175.8	-167.9	0	111.1	A203	A203-K205 PolarHBondContact O-N 3.13Å
206	M	95.6	Very high	96.5	Very high	9 Å²	9	55.8 Å²	55.8	4%	0.044	30%	0.302	C	S	.	.	S	Bend	trans	-71.2	147.9	164.2	171.3	174.7	170.4	0	0	110.2	A166 V171 V215 A218 V219 L222 F229	A166-M206 HydrophobicContact CB-CB 3.93Å; A166-M206 HydrophobicContact CB-CG 3.81Å; A166-M206 HydrophobicContact CB-SD 4.4Å; A166-M206 WeakPolarHBondContact O-CG 3.38Å; V171-M206 HydrophobicContact CB-CE 4.3Å; V171-M206 HydrophobicContact CG1-CE 3.9Å; V171-M206 HydrophobicContact CG2-CE 3.36Å; V171-M206 HydrophobicContact CG2-CG 4.23Å; V171-M206 HydrophobicContact CG2-SD 4.4Å; M206-V215 HydrophobicContact CB-CG1 4.15Å; M206-V215 HydrophobicContact CG-CG1 4.31Å; M206-A218 HydrophobicContact CE-CB 3.92Å; M206-V219 HydrophobicContact CE-CG2 4.25Å; M206-V219 HydrophobicContact SD-CG2 3.6Å; M206-V219 VanDerWaalsContact SD-CG2 3.6Å; M206-L222 HydrophobicContact CE-CD1 4.15Å; M206-F229 HydrophobicContact CE-CE1 3.99Å; M206-F229 HydrophobicContact CE-CZ 4.05Å; M206-F229 HydrophobicContact SD-CD1 4.15Å; M206-F229 HydrophobicContact SD-CE1 3.65Å; M206-F229 HydrophobicContact SD-CZ 4.09Å
207	L	94.4	Very high	96.4	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.297	C	S	.	.	S	Bend	trans	41.9	61.8	176.3	-68.7	170.3	0	0	0	114	A166 F168 V171 M209 F210 V215 A218 V362	A166-L207 PolarHBondContact O-N 2.83Å; F168-L207 HydrophobicContact CB-CD2 4.47Å; V171-L207 HydrophobicContact CB-CD1 4.34Å; V171-L207 HydrophobicContact CB-CD2 4.23Å; V171-L207 HydrophobicContact CB-CG 4.44Å; V171-L207 HydrophobicContact CG1-CD1 4.09Å; V171-L207 HydrophobicContact CG2-CD1 4.02Å; V171-L207 HydrophobicContact CG2-CD2 3.98Å; V171-L207 HydrophobicContact CG2-CG 3.83Å; L207-M209 VanDerWaalsContact C-SD 3.58Å; L207-M209 HydrophobicContact CB-SD 4.01Å; L207-M209 HydrophobicContact CD2-SD 3.87Å; L207-M209 PolarHBondContact O-N 3.01Å; L207-F210 HydrophobicContact CB-CD2 4.03Å; L207-F210 HydrophobicContact CD1-CD2 4.09Å; L207-F210 HydrophobicContact CD2-CD2 4.31Å; L207-F210 HydrophobicContact CD2-CE2 4.32Å; L207-F210 HydrophobicContact CG-CD2 4.39Å; L207-F210 PolarHBondContact O-N 2.9Å; L207-V215 HydrophobicContact CB-CG2 4.09Å; L207-A218 HydrophobicContact CD1-CB 4.16Å; L207-V362 HydrophobicContact CD1-CG2 4.24Å
208	P	93	Very high	96.4	Very high	100 Å²	100	54 Å²	54	65%	0.649	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-9.4	-170.4	27	-36.7	0	0	0	114.8
209	M	91.6	Very high	96.4	Very high	104 Å²	104	55.3 Å²	55.3	51%	0.512	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-12.8	175.9	68.8	-73.8	-77.3	0	0	114.2	F168 L207	F168-M209 HydrophobicContact CB-CE 3.98Å; F168-M209 HydrophobicContact CD2-CE 4.02Å; F168-M209 HydrophobicContact CD2-SD 4.34Å; L207-M209 VanDerWaalsContact C-SD 3.58Å; L207-M209 HydrophobicContact CB-SD 4.01Å; L207-M209 HydrophobicContact CD2-SD 3.87Å; L207-M209 PolarHBondContact O-N 3.01Å
210	F	93.7	Very high	96.4	Very high	25 Å²	25	58.2 Å²	58.2	11%	0.11	32%	0.324	C	S	.	.	S	Bend	trans	-108.9	163.1	-176	-65.9	-42.8	0	0	0	112.9	F168 L207 L214 V215 T352 C354 V362 M364	F168-F210 HydrophobicContact CD2-CE2 4.33Å; F168-F210 HydrophobicContact CD2-CZ 4.37Å; F168-F210 HydrophobicContact CE2-CE2 4.18Å; F168-F210 AromaticContact CE2-CZ 3.86Å; F168-F210 HydrophobicContact CE2-CZ 3.86Å; L207-F210 HydrophobicContact CB-CD2 4.03Å; L207-F210 HydrophobicContact CD1-CD2 4.09Å; L207-F210 HydrophobicContact CD2-CD2 4.31Å; L207-F210 HydrophobicContact CD2-CE2 4.32Å; L207-F210 HydrophobicContact CG-CD2 4.39Å; L207-F210 PolarHBondContact O-N 2.9Å; F210-L214 HydrophobicContact CB-CB 4.05Å; F210-L214 HydrophobicContact CB-CD1 4.15Å; F210-L214 HydrophobicContact CD1-CD1 4.17Å; F210-L214 HydrophobicContact CG-CD1 4.26Å; F210-V215 HydrophobicContact CB-CG2 4.36Å; F210-T352 HydrophobicContact CE1-CG2 4.32Å; F210-T352 HydrophobicContact CZ-CG2 4.22Å; F210-C354 HydrophobicContact CE2-CB 3.84Å; F210-C354 HydrophobicContact CZ-CB 4.32Å; F210-V362 HydrophobicContact CD2-CG2 4.16Å; F210-V362 HydrophobicContact CE2-CG2 4.09Å; F210-M364 HydrophobicContact CD1-CG 4.45Å
211	S	95.1	Very high	96.4	Very high	55 Å²	55	59.1 Å²	59.1	39%	0.385	33%	0.327	S	S	.	.			trans	-67.8	154.5	173.9	61.5	0	0	0	0	111.1	E213 L214 V215	S211-E213 PolarHBondContact O-N 3.39Å; S211-L214 PolarHBondContact O-N 2.84Å; S211-L214 WeakPolarHBondContact OG-CG 3.5Å; S211-V215 WeakPolarHBondContact O-CG2 3.39Å; S211-V215 PolarHBondContact O-N 3.45Å
212	E	96.5	Very high	96.4	Very high	146 Å²	146	57.9 Å²	57.9	68%	0.682	32%	0.321	S	S	*	.	H	α-helix	trans	-56.2	-36.2	177.7	-170.2	175.2	163.1	0	0	112.6	L214 V215 N216	E212-L214 PolarHBondContact O-N 2.86Å; E212-V215 PolarHBondContact O-N 2.85Å; E212-N216 WeakPolarHBondContact O-CB 3.24Å; E212-N216 PolarHBondContact O-N 3.08Å; E212-N216 PolarHBondContact O-ND2 3.49Å
213	E	97	Very high	96.4	Very high	146 Å²	146	60 Å²	60	68%	0.682	32%	0.321	S	S	*	.	H	α-helix	trans	-59.7	-45.8	174.2	-175.5	-173.6	165.6	0	0	112.5	S211 N216 H217	S211-E213 PolarHBondContact O-N 3.39Å; E213-N216 PolarHBondContact O-N 3.05Å; E213-H217 PolarHBondContact O-N 3.38Å
214	L	97.9	Very high	96.5	Very high	5 Å²	5	64.7 Å²	64.7	3%	0.026	34%	0.341	C	S	.	.	H	α-helix	trans	-68.4	-38.2	177.7	-71.2	177.6	0	0	0	111.4	F210 S211 E212 H217 A218 V362 G363 M364 P369 A371	F210-L214 HydrophobicContact CB-CB 4.05Å; F210-L214 HydrophobicContact CB-CD1 4.15Å; F210-L214 HydrophobicContact CD1-CD1 4.17Å; F210-L214 HydrophobicContact CG-CD1 4.26Å; S211-L214 PolarHBondContact O-N 2.84Å; S211-L214 WeakPolarHBondContact OG-CG 3.5Å; E212-L214 PolarHBondContact O-N 2.86Å; L214-H217 PolarHBondContact O-N 3.36Å; L214-A218 PolarHBondContact O-N 3.01Å; L214-V362 HydrophobicContact CB-CB 4.2Å; L214-V362 HydrophobicContact CB-CG1 4.45Å; L214-V362 HydrophobicContact CD2-CB 4.09Å; L214-V362 HydrophobicContact CD2-CG1 4.21Å; L214-V362 WeakPolarHBondContact O-CG1 3.47Å; L214-G363 WeakPolarHBondContact CD1-O 3.27Å; L214-M364 HydrophobicContact CD1-SD 4.44Å; L214-P369 HydrophobicContact CD1-CB 4.08Å; L214-P369 HydrophobicContact CD2-CB 4.26Å; L214-P369 HydrophobicContact CG-CB 4.32Å; L214-A371 HydrophobicContact CD2-CB 4.34Å
215	V	98	Very high	96.7	Very high	20 Å²	20	65.4 Å²	65.4	12%	0.121	33%	0.331	C	S	.	.	H	α-helix	trans	-62.9	-47	175.2	178.7	0	0	0	0	110.5	M206 L207 F210 S211 E212 H217 A218 V219	M206-V215 HydrophobicContact CB-CG1 4.15Å; M206-V215 HydrophobicContact CG-CG1 4.31Å; L207-V215 HydrophobicContact CB-CG2 4.09Å; F210-V215 HydrophobicContact CB-CG2 4.36Å; S211-V215 WeakPolarHBondContact O-CG2 3.39Å; S211-V215 PolarHBondContact O-N 3.45Å; E212-V215 PolarHBondContact O-N 2.85Å; V215-H217 VanDerWaalsContact C-N 3.31Å; V215-H217 PolarHBondContact O-N 3.16Å; V215-A218 WeakPolarHBondContact O-CB 3.31Å; V215-A218 PolarHBondContact O-N 2.89Å; V215-A218 VanDerWaalsContact O-N 3.08Å; V215-V219 HydrophobicContact CG1-CG2 4.3Å; V215-V219 WeakPolarHBondContact O-CG2 3.33Å; V215-V219 PolarHBondContact O-N 3.45Å
216	N	97.8	Very high	96.9	Very high	85 Å²	85	60.9 Å²	60.9	46%	0.455	33%	0.325	S	S	.	.	H	α-helix	trans	-61.9	-38.6	178.4	-69.7	-15.1	0	0	0	111.8	E212 E213 A218 V219 S220	E212-N216 WeakPolarHBondContact O-CB 3.24Å; E212-N216 PolarHBondContact O-N 3.08Å; E212-N216 PolarHBondContact O-ND2 3.49Å; E213-N216 PolarHBondContact O-N 3.05Å; N216-A218 PolarHBondContact O-N 3Å; N216-V219 PolarHBondContact O-N 3.07Å; N216-S220 WeakPolarHBondContact O-CB 3.49Å; N216-S220 PolarHBondContact O-N 3.13Å; N216-S220 PolarHBondContact O-OG 3Å
217	H	98.4	Very high	97	Very high	67 Å²	67	60.7 Å²	60.7	31%	0.31	33%	0.325	S	S	.	.	H	α-helix	trans	-59.5	-45.4	172.3	-176.4	-66.3	0	0	0	111.9	E213 L214 V215 Y221 D360 V362	E213-H217 PolarHBondContact O-N 3.38Å; L214-H217 PolarHBondContact O-N 3.36Å; V215-H217 VanDerWaalsContact C-N 3.31Å; V215-H217 PolarHBondContact O-N 3.16Å; H217-Y221 WeakPolarHBondContact O-CB 3.4Å; H217-Y221 PolarHBondContact O-N 2.93Å; H217-D360 IonicContact CE1-OD1 3.99Å; H217-D360 PolarHBondContact CE1-OD1 3.41Å; H217-D360 IonicContact CE1-OD2 3.91Å; H217-D360 IonicContact ND1-OD1 3.03Å; H217-V362 HydrophobicContact CB-CG1 4.17Å
218	A	98.5	Very high	97.2	Very high	0 Å²	0	64 Å²	64	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-65.2	-42.5	178.6	0	0	0	0	0	112.5	M206 L207 L214 V215 N216 Y221 L222 L356 V362	M206-A218 HydrophobicContact CE-CB 3.92Å; L207-A218 HydrophobicContact CD1-CB 4.16Å; L214-A218 PolarHBondContact O-N 3.01Å; V215-A218 WeakPolarHBondContact O-CB 3.31Å; V215-A218 PolarHBondContact O-N 2.89Å; V215-A218 VanDerWaalsContact O-N 3.08Å; N216-A218 PolarHBondContact O-N 3Å; A218-Y221 PolarHBondContact O-N 2.79Å; A218-L222 WeakPolarHBondContact O-CB 3.37Å; A218-L222 WeakPolarHBondContact O-CG 3.05Å; A218-L222 PolarHBondContact O-N 3.44Å; A218-L222 VanDerWaalsContact O-N 3.13Å; A218-L356 HydrophobicContact CB-CD1 3.96Å; A218-L356 HydrophobicContact CB-CD2 4.13Å; A218-V362 HydrophobicContact CB-CG1 4.36Å; A218-V362 HydrophobicContact CB-CG2 4.23Å
219	V	98.3	Very high	97.5	Very high	29 Å²	29	60.8 Å²	60.8	18%	0.176	32%	0.316	C	S	.	.	H	α-helix	trans	-61.2	-53.1	176.9	172.4	0	0	0	0	110.2	M206 V215 N216 Y221 L222 E223 F229	M206-V219 HydrophobicContact CE-CG2 4.25Å; M206-V219 HydrophobicContact SD-CG2 3.6Å; M206-V219 VanDerWaalsContact SD-CG2 3.6Å; V215-V219 HydrophobicContact CG1-CG2 4.3Å; V215-V219 WeakPolarHBondContact O-CG2 3.33Å; V215-V219 PolarHBondContact O-N 3.45Å; N216-V219 PolarHBondContact O-N 3.07Å; V219-Y221 VanDerWaalsContact C-N 3.33Å; V219-Y221 PolarHBondContact O-N 3.25Å; V219-L222 PolarHBondContact O-N 3.19Å; V219-L222 VanDerWaalsContact O-N 3.14Å; V219-E223 VanDerWaalsContact CG1-CD 3.48Å; V219-E223 HydrophobicContact CG1-CG 3.95Å; V219-E223 WeakPolarHBondContact O-CB 3.39Å; V219-E223 WeakPolarHBondContact O-CG 3.21Å; V219-E223 PolarHBondContact O-N 2.73Å; V219-F229 HydrophobicContact CG1-CD2 4.41Å; V219-F229 HydrophobicContact CG1-CE2 4.42Å
220	S	98.5	Very high	97.8	Very high	62 Å²	62	58.1 Å²	58.1	43%	0.434	30%	0.302	S	S	.	.	H	α-helix	trans	-57.5	-43.9	177.7	-66.2	0	0	0	0	112.6	N216 L222 D224	N216-S220 WeakPolarHBondContact O-CB 3.49Å; N216-S220 PolarHBondContact O-N 3.13Å; N216-S220 PolarHBondContact O-OG 3Å; S220-L222 VanDerWaalsContact C-N 3.3Å; S220-L222 PolarHBondContact O-N 2.88Å; S220-D224 VanDerWaalsContact O-CB 3.25Å; S220-D224 WeakPolarHBondContact O-CB 3.32Å; S220-D224 PolarHBondContact O-N 3.04Å
221	Y	98.7	Very high	97.9	Very high	20 Å²	20	60.9 Å²	60.9	8%	0.078	32%	0.317	C	S	.	.	H	α-helix	trans	-56.4	-44.3	177	179.1	-83.2	0	0	0	112.6	H217 A218 V219 R225 L356 D360	H217-Y221 WeakPolarHBondContact O-CB 3.4Å; H217-Y221 PolarHBondContact O-N 2.93Å; A218-Y221 PolarHBondContact O-N 2.79Å; V219-Y221 VanDerWaalsContact C-N 3.33Å; V219-Y221 PolarHBondContact O-N 3.25Å; Y221-R225 VanDerWaalsContact CE2-NH2 3.32Å; Y221-R225 VanDerWaalsContact CZ-CZ 3.48Å; Y221-R225 WeakPolarHBondContact O-CD 3.42Å; Y221-R225 PolarHBondContact O-NH1 3.14Å; Y221-R225 PolarHBondContact OH-NE 3.32Å; Y221-L356 HydrophobicContact CD1-CB 3.82Å; Y221-L356 HydrophobicContact CD1-CD1 4.4Å; Y221-L356 HydrophobicContact CD1-CD2 4.3Å; Y221-L356 HydrophobicContact CD1-CG 4.4Å; Y221-L356 HydrophobicContact CE1-CB 3.86Å; Y221-L356 WeakPolarHBondContact CE1-O 3.47Å; Y221-L356 HydrophobicContact CG-CB 4.22Å; Y221-L356 HydrophobicContact CG-CD1 4.21Å; Y221-L356 PolarHBondContact OH-O 3.09Å; Y221-L356 VanDerWaalsContact OH-O 3.06Å; Y221-D360 HydrophobicContact CD2-CB 3.85Å; Y221-D360 HydrophobicContact CE2-CB 3.44Å; Y221-D360 VanDerWaalsContact CE2-CB 3.44Å
222	L	98.7	Very high	98	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-81.3	-40.5	-174.7	-68.8	172.8	0	0	0	112.5	V171 L174 T178 M206 A218 V219 S220 R225 G226 V227 F229 L356	V171-L222 HydrophobicContact CG1-CD1 3.98Å; L174-L222 HydrophobicContact CB-CD1 4.18Å; L174-L222 HydrophobicContact CB-CD2 4.11Å; T178-L222 HydrophobicContact CG2-CD2 3.95Å; M206-L222 HydrophobicContact CE-CD1 4.15Å; A218-L222 WeakPolarHBondContact O-CB 3.37Å; A218-L222 WeakPolarHBondContact O-CG 3.05Å; A218-L222 PolarHBondContact O-N 3.44Å; A218-L222 VanDerWaalsContact O-N 3.13Å; V219-L222 PolarHBondContact O-N 3.19Å; V219-L222 VanDerWaalsContact O-N 3.14Å; S220-L222 VanDerWaalsContact C-N 3.3Å; S220-L222 PolarHBondContact O-N 2.88Å; L222-R225 CarbonylContact O-C 3.56Å; L222-R225 WeakPolarHBondContact O-CA 3.38Å; L222-R225 PolarHBondContact O-N 2.89Å; L222-G226 PolarHBondContact O-N 3.01Å; L222-V227 HydrophobicContact CB-CB 3.98Å; L222-V227 HydrophobicContact CB-CG1 4.49Å; L222-V227 HydrophobicContact CB-CG2 4.03Å; L222-V227 HydrophobicContact CD2-CG2 4.29Å; L222-V227 WeakPolarHBondContact O-CB 3.48Å; L222-V227 WeakPolarHBondContact O-CG2 3.47Å; L222-V227 PolarHBondContact O-N 2.61Å; L222-F229 HydrophobicContact CB-CE2 3.93Å; L222-F229 HydrophobicContact CB-CZ 3.84Å; L222-F229 HydrophobicContact CD1-CZ 3.72Å; L222-F229 HydrophobicContact CG-CZ 4.43Å; L222-L356 HydrophobicContact CD1-CD2 3.91Å; L222-L356 HydrophobicContact CD2-CD2 4.28Å; L222-L356 HydrophobicContact CG-CD2 4.04Å
223	E	98.5	Very high	98.1	Very high	103 Å²	103	54.8 Å²	54.8	48%	0.481	29%	0.294	S	S	.	.	H	α-helix	trans	-63.2	-42.1	175.9	-71.9	-173.5	153	0	0	111.4	V219 R225 G226 F229	V219-E223 VanDerWaalsContact CG1-CD 3.48Å; V219-E223 HydrophobicContact CG1-CG 3.95Å; V219-E223 WeakPolarHBondContact O-CB 3.39Å; V219-E223 WeakPolarHBondContact O-CG 3.21Å; V219-E223 PolarHBondContact O-N 2.73Å; E223-R225 PolarHBondContact O-N 3.32Å; E223-G226 PolarHBondContact O-N 3.38Å; E223-F229 HydrophobicContact CG-CD2 3.81Å; E223-F229 HydrophobicContact CG-CE2 3.89Å
224	D	98.3	Very high	98.2	Very high	137 Å²	137	50.1 Å²	50.1	73%	0.733	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-16.2	174.4	-74.1	-10.3	0	0	0	112.9	S220	S220-D224 VanDerWaalsContact O-CB 3.25Å; S220-D224 WeakPolarHBondContact O-CB 3.32Å; S220-D224 PolarHBondContact O-N 3.04Å
225	R	98.4	Very high	98.2	Very high	114 Å²	114	50.6 Å²	50.6	43%	0.43	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.7	16.5	177.7	-71.2	164.8	-178.7	66.4	2.6	113	T178 Y221 L222 E223	T178-R225 HydrophobicContact CG2-CB 3.59Å; Y221-R225 VanDerWaalsContact CE2-NH2 3.32Å; Y221-R225 VanDerWaalsContact CZ-CZ 3.48Å; Y221-R225 WeakPolarHBondContact O-CD 3.42Å; Y221-R225 PolarHBondContact O-NH1 3.14Å; Y221-R225 PolarHBondContact OH-NE 3.32Å; L222-R225 CarbonylContact O-C 3.56Å; L222-R225 WeakPolarHBondContact O-CA 3.38Å; L222-R225 PolarHBondContact O-N 2.89Å; E223-R225 PolarHBondContact O-N 3.32Å
226	G	97.7	Very high	98.2	Very high	51 Å²	51	51.6 Å²	51.6	53%	0.526	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.6	14.6	169.8	0	0	0	0	0	115.6	L222 E223	L222-G226 PolarHBondContact O-N 3.01Å; E223-G226 PolarHBondContact O-N 3.38Å
227	V	98.8	Very high	98.3	Very high	5 Å²	5	48.4 Å²	48.4	3%	0.03	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	123.3	172.7	-178.2	0	0	0	0	110.1	L174 T178 I197 C199 L222 F229	L174-V227 HydrophobicContact CD1-CG1 4.3Å; L174-V227 HydrophobicContact CD2-CG1 3.88Å; L174-V227 HydrophobicContact CD2-CG2 4.37Å; T178-V227 HydrophobicContact CG2-CG2 3.77Å; I197-V227 HydrophobicContact CB-CG2 4.31Å; I197-V227 HydrophobicContact CG2-CG1 4.33Å; I197-V227 HydrophobicContact CG2-CG2 4.1Å; C199-V227 HydrophobicContact CB-CG1 4.43Å; L222-V227 HydrophobicContact CB-CB 3.98Å; L222-V227 HydrophobicContact CB-CG1 4.49Å; L222-V227 HydrophobicContact CB-CG2 4.03Å; L222-V227 HydrophobicContact CD2-CG2 4.29Å; L222-V227 WeakPolarHBondContact O-CB 3.48Å; L222-V227 WeakPolarHBondContact O-CG2 3.47Å; L222-V227 PolarHBondContact O-N 2.61Å; V227-F229 HydrophobicContact CB-CE2 4.28Å; V227-F229 HydrophobicContact CG1-CD2 4.38Å; V227-F229 HydrophobicContact CG1-CE1 4.26Å; V227-F229 HydrophobicContact CG1-CE2 3.86Å; V227-F229 HydrophobicContact CG1-CZ 3.8Å
228	E	98.6	Very high	98.3	Very high	69 Å²	69	45.4 Å²	45.4	32%	0.322	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	134.7	169.9	-173.3	-169.8	148.3	0	0	110	K196 I197 T198 C199 K230	K196-E228 WeakPolarHBondContact CE-OE2 3.45Å; K196-E228 IonicContact NZ-OE2 4Å; K196-E228 PolarHBondContact NZ-OE2 2.94Å; I197-E228 PolarHBondContact O-N 2.81Å; T198-E228 CarbonylContact C-O 3.52Å; T198-E228 WeakPolarHBondContact CA-O 3.34Å; T198-E228 HydrophobicContact CG2-CB 4.39Å; C199-E228 PolarHBondContact N-O 3.05Å; E228-K230 WeakPolarHBondContact OE1-CE 3.41Å; E228-K230 IonicContact OE1-NZ 2.8Å; E228-K230 PolarHBondContact OE1-NZ 3.3Å
229	F	98.5	Very high	98.3	Very high	34 Å²	34	47.8 Å²	47.8	15%	0.149	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	132.3	174.1	-67.9	-85	0	0	0	112.3	L174 C199 M206 V219 L222 E223 V227	L174-F229 HydrophobicContact CD1-CE1 4.17Å; C199-F229 HydrophobicContact CB-CD1 3.67Å; C199-F229 HydrophobicContact CB-CE1 3.83Å; M206-F229 HydrophobicContact CE-CE1 3.99Å; M206-F229 HydrophobicContact CE-CZ 4.05Å; M206-F229 HydrophobicContact SD-CD1 4.15Å; M206-F229 HydrophobicContact SD-CE1 3.65Å; M206-F229 HydrophobicContact SD-CZ 4.09Å; V219-F229 HydrophobicContact CG1-CD2 4.41Å; V219-F229 HydrophobicContact CG1-CE2 4.42Å; L222-F229 HydrophobicContact CB-CE2 3.93Å; L222-F229 HydrophobicContact CB-CZ 3.84Å; L222-F229 HydrophobicContact CD1-CZ 3.72Å; L222-F229 HydrophobicContact CG-CZ 4.43Å; E223-F229 HydrophobicContact CG-CD2 3.81Å; E223-F229 HydrophobicContact CG-CE2 3.89Å; V227-F229 HydrophobicContact CB-CE2 4.28Å; V227-F229 HydrophobicContact CG1-CD2 4.38Å; V227-F229 HydrophobicContact CG1-CE1 4.26Å; V227-F229 HydrophobicContact CG1-CE2 3.86Å; V227-F229 HydrophobicContact CG1-CZ 3.8Å
230	K	98.2	Very high	98.3	Very high	47 Å²	47	55 Å²	55	20%	0.204	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	84.3	167.2	-68.8	-174.6	177.3	-62.1	0	109	T198 C199 V200 E201 E228 T233 L254	T198-K230 HydrophobicContact CG2-CD 4.27Å; T198-K230 HydrophobicContact CG2-CG 4.35Å; C199-K230 PolarHBondContact O-N 2.82Å; V200-K230 WeakPolarHBondContact CA-O 3.48Å; V200-K230 HydrophobicContact CG1-CB 4.5Å; V200-K230 HydrophobicContact CG2-CB 4.36Å; E201-K230 PolarHBondContact N-O 2.79Å; E228-K230 WeakPolarHBondContact OE1-CE 3.41Å; E228-K230 IonicContact OE1-NZ 2.8Å; E228-K230 PolarHBondContact OE1-NZ 3.3Å; K230-T233 HydrophobicContact CB-CG2 4.27Å; K230-T233 WeakPolarHBondContact O-CB 3.33Å; K230-L254 HydrophobicContact CD-CD1 4.12Å
231	I	95.8	Very high	98.3	Very high	83 Å²	83	58.6 Å²	58.6	43%	0.426	31%	0.308	S	S	.	.			trans	-83.2	165.3	176	63.6	173.2	0	0	0	111.2	E201 T233	E201-I231 CarbonylContact O-C 3.49Å; E201-I231 WeakPolarHBondContact O-CA 3.43Å; I231-T233 PolarHBondContact O-N 3.19Å; I231-T233 PolarHBondContact O-OG1 3.37Å
232	A	97.1	Very high	98.3	Very high	60 Å²	60	57.7 Å²	57.7	50%	0.496	31%	0.305	S	S	.	.	S	Bend	trans	49.4	30.8	-174.8	0	0	0	0	0	113.3	E201 A203	E201-A232 PolarHBondContact O-N 2.74Å; A203-A232 PolarHBondContact O-N 3.21Å
233	T	98.4	Very high	98.3	Very high	14 Å²	14	57.7 Å²	57.7	9%	0.086	31%	0.305	C	S	.	.			trans	-124.9	96.4	-171.5	-61	0	0	0	0	108.4	V200 E201 K230 I231 V245 V247	V200-T233 HydrophobicContact CG1-CG2 3.96Å; V200-T233 VanDerWaalsContact CG1-O 3.28Å; V200-T233 WeakPolarHBondContact CG1-O 3.48Å; E201-T233 CarbonylContact C-O 3.56Å; E201-T233 PolarHBondContact O-N 3.32Å; K230-T233 HydrophobicContact CB-CG2 4.27Å; K230-T233 WeakPolarHBondContact O-CB 3.33Å; I231-T233 PolarHBondContact O-N 3.19Å; I231-T233 PolarHBondContact O-OG1 3.37Å; T233-V245 HydrophobicContact CG2-CB 3.72Å; T233-V245 HydrophobicContact CG2-CG1 4.2Å; T233-V245 HydrophobicContact CG2-CG2 4Å; T233-V247 HydrophobicContact CG2-CG2 4.02Å
234	P	98.3	Very high	98.3	Very high	48 Å²	48	53.7 Å²	53.7	31%	0.312	29%	0.288	S	S	.	.			trans	-65.9	139.1	-179.5	-20.8	33.4	0	0	0	112.2	A202 V245 E246	A202-P234 HydrophobicContact CB-CB 4.3Å; P234-V245 CarbonylContact O-C 3.47Å; P234-V245 VanDerWaalsContact O-CA 3.22Å; P234-V245 WeakPolarHBondContact O-CA 3.18Å; P234-E246 PolarHBondContact O-N 2.78Å
235	I	98.7	Very high	98.4	Very high	15 Å²	15	47.2 Å²	47.2	8%	0.077	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	121	166.3	-57.6	158.9	0	0	0	107.8	I118 M121 V200 A237 F243 V245 W261	I118-I235 WeakPolarHBondContact CD1-O 3.36Å; I118-I235 HydrophobicContact CG2-CG2 4.31Å; M121-I235 HydrophobicContact CE-CB 4.39Å; M121-I235 HydrophobicContact CE-CD1 4.45Å; M121-I235 HydrophobicContact CE-CG2 3.58Å; V200-I235 HydrophobicContact CB-CD1 4.07Å; V200-I235 HydrophobicContact CB-CG1 4.14Å; V200-I235 HydrophobicContact CG1-CD1 4.06Å; V200-I235 HydrophobicContact CG1-CG1 3.62Å; I235-A237 WeakPolarHBondContact CG2-O 3.46Å; I235-F243 HydrophobicContact CD1-CD2 3.69Å; I235-F243 HydrophobicContact CD1-CE2 3.72Å; I235-F243 HydrophobicContact CD1-CG 4.31Å; I235-F243 HydrophobicContact CD1-CZ 4.35Å; I235-F243 HydrophobicContact CG1-CD2 4.09Å; I235-F243 HydrophobicContact CG1-CG 4.42Å; I235-F243 HydrophobicContact CG2-CB 4.02Å; I235-F243 HydrophobicContact CG2-CD1 4.23Å; I235-F243 HydrophobicContact CG2-CD2 4.48Å; I235-F243 HydrophobicContact CG2-CG 4.02Å; I235-V245 HydrophobicContact CG1-CG1 4.07Å; I235-W261 HydrophobicContact CD1-CE3 4.44Å; I235-W261 HydrophobicContact CD1-CZ3 3.92Å
236	V	98.4	Very high	98.4	Very high	41 Å²	41	45.2 Å²	45.2	25%	0.248	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	-19	-175.6	-63.6	0	0	0	0	113.6	V244 E246 K251	V236-V244 HydrophobicContact CG2-CB 4.2Å; V236-V244 HydrophobicContact CG2-CG1 3.85Å; V236-V244 WeakPolarHBondContact CG2-O 3.11Å; V236-V244 PolarHBondContact N-O 3.03Å; V236-E246 HydrophobicContact CG1-CG 3.78Å; V236-E246 HydrophobicContact CG2-CG 4.25Å; V236-K251 HydrophobicContact CG2-CD 4.5Å
237	A	98.7	Very high	98.3	Very high	17 Å²	17	45 Å²	45	14%	0.14	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	163.3	170.1	0	0	0	0	0	111.1	E119 I235 V244	E119-A237 HydrophobicContact CB-CB 4.28Å; E119-A237 CarbonylContact O-C 3.59Å; E119-A237 WeakPolarHBondContact O-CA 3.45Å; I235-A237 WeakPolarHBondContact CG2-O 3.46Å; A237-V244 HydrophobicContact CB-CB 4.13Å; A237-V244 HydrophobicContact CB-CG2 4.26Å; A237-V244 PolarHBondContact N-O 3.25Å; A237-V244 PolarHBondContact O-N 3.4Å
238	C	98.9	Very high	98.2	Very high	5 Å²	5	52.6 Å²	52.6	3%	0.034	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	134.9	166.9	-175.7	0	0	0	0	108.6	E119 G120 M121 H124 G242 F243	E119-C238 PolarHBondContact O-N 3.4Å; G120-C238 WeakPolarHBondContact CA-O 3.23Å; M121-C238 HydrophobicContact CB-CB 4.5Å; M121-C238 HydrophobicContact CE-CB 4.02Å; M121-C238 HydrophobicContact SD-CB 4.18Å; H124-C238 HydrophobicContact CB-CB 4.48Å; H124-C238 VanDerWaalsContact CB-SG 3.59Å; H124-C238 PolarHBondContact CD2-O 2.65Å; C238-G242 WeakPolarHBondContact CA-O 3.16Å; C238-F243 HydrophobicContact CB-CD1 3.94Å; C238-F243 HydrophobicContact CB-CE1 4.23Å
239	N	98.8	Very high	97.9	Very high	50 Å²	50	52.2 Å²	52.2	27%	0.267	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	178.7	178.6	59.3	44.9	0	0	0	109.8	K241 G242 Q253	N239-K241 PolarHBondContact O-N 3Å; N239-K241 WeakPolarHBondContact OD1-CB 3.15Å; N239-K241 PolarHBondContact OD1-N 2.85Å; N239-G242 PolarHBondContact N-O 3.18Å; N239-G242 PolarHBondContact O-N 2.62Å; N239-G242 PolarHBondContact OD1-N 3.37Å; N239-G242 PolarHBondContact OD1-O 3.48Å; N239-Q253 PolarHBondContact ND2-OE1 3.01Å; N239-Q253 PolarHBondContact OD1-NE2 3Å
240	E	98.5	Very high	97.9	Very high	181 Å²	181	57.7 Å²	57.7	85%	0.846	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-22.1	-179.3	-63.2	-175.9	153.7	0	0	114.5
241	K	98.6	Very high	97.9	Very high	136 Å²	136	62.6 Å²	62.6	59%	0.591	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-24.3	178.4	-59.5	-179	178.9	179.5	0	113.2	N239 N255 A256	N239-K241 PolarHBondContact O-N 3Å; N239-K241 WeakPolarHBondContact OD1-CB 3.15Å; N239-K241 PolarHBondContact OD1-N 2.85Å; K241-N255 CarbonylContact O-C 3.57Å; K241-N255 VanDerWaalsContact O-CA 3.24Å; K241-N255 WeakPolarHBondContact O-CA 3.29Å; K241-A256 PolarHBondContact O-N 3.07Å
242	G	98.7	Very high	98	Very high	1 Å²	1	62.8 Å²	62.8	1%	0.01	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	141.5	-151	-175.4	0	0	0	0	0	113.5	C238 N239 L254	C238-G242 WeakPolarHBondContact CA-O 3.16Å; N239-G242 PolarHBondContact N-O 3.18Å; N239-G242 PolarHBondContact O-N 2.62Å; N239-G242 PolarHBondContact OD1-N 3.37Å; N239-G242 PolarHBondContact OD1-O 3.48Å; G242-L254 CarbonylContact C-O 3.49Å; G242-L254 WeakPolarHBondContact CA-O 3.37Å
243	F	98.9	Very high	98.1	Very high	0 Å²	0	63 Å²	63	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	143.9	-179	-63.2	-22.4	0	0	0	112.8	M121 A125 L162 V200 I235 C238 V245 Q253 L254	M121-F243 HydrophobicContact CE-CD1 4.13Å; M121-F243 HydrophobicContact CE-CE1 3.79Å; M121-F243 HydrophobicContact CE-CZ 4.34Å; M121-F243 HydrophobicContact SD-CE1 3.87Å; M121-F243 HydrophobicContact SD-CZ 4.37Å; A125-F243 HydrophobicContact CB-CE1 4.35Å; L162-F243 HydrophobicContact CB-CD2 3.81Å; L162-F243 HydrophobicContact CB-CE2 3.67Å; L162-F243 HydrophobicContact CB-CG 4.48Å; L162-F243 HydrophobicContact CB-CZ 4.26Å; L162-F243 HydrophobicContact CD1-CB 4Å; L162-F243 HydrophobicContact CD1-CD2 3.91Å; L162-F243 HydrophobicContact CD1-CG 3.92Å; L162-F243 HydrophobicContact CD2-CD2 4.21Å; L162-F243 HydrophobicContact CG-CD2 4.2Å; V200-F243 HydrophobicContact CG2-CD2 4.44Å; I235-F243 HydrophobicContact CD1-CD2 3.69Å; I235-F243 HydrophobicContact CD1-CE2 3.72Å; I235-F243 HydrophobicContact CD1-CG 4.31Å; I235-F243 HydrophobicContact CD1-CZ 4.35Å; I235-F243 HydrophobicContact CG1-CD2 4.09Å; I235-F243 HydrophobicContact CG1-CG 4.42Å; I235-F243 HydrophobicContact CG2-CB 4.02Å; I235-F243 HydrophobicContact CG2-CD1 4.23Å; I235-F243 HydrophobicContact CG2-CD2 4.48Å; I235-F243 HydrophobicContact CG2-CG 4.02Å; C238-F243 HydrophobicContact CB-CD1 3.94Å; C238-F243 HydrophobicContact CB-CE1 4.23Å; F243-V245 HydrophobicContact CB-CG1 4.29Å; F243-Q253 PolarHBondContact O-NE2 2.71Å; F243-L254 PolarHBondContact N-O 2.91Å; F243-L254 PolarHBondContact O-N 3.48Å
244	V	98.9	Very high	98.1	Very high	20 Å²	20	63.1 Å²	63.1	12%	0.121	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	122.7	160.8	-175.2	0	0	0	0	107.5	V236 A237 K251 Q252	V236-V244 HydrophobicContact CG2-CB 4.2Å; V236-V244 HydrophobicContact CG2-CG1 3.85Å; V236-V244 WeakPolarHBondContact CG2-O 3.11Å; V236-V244 PolarHBondContact N-O 3.03Å; A237-V244 HydrophobicContact CB-CB 4.13Å; A237-V244 HydrophobicContact CB-CG2 4.26Å; A237-V244 PolarHBondContact N-O 3.25Å; A237-V244 PolarHBondContact O-N 3.4Å; V244-K251 HydrophobicContact CG1-CB 4.09Å; V244-K251 HydrophobicContact CG1-CD 4.36Å; V244-K251 HydrophobicContact CG1-CG 4.44Å; V244-Q252 WeakPolarHBondContact CA-O 3.35Å
245	V	98.8	Very high	98.1	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	160	-178.1	-59.6	0	0	0	0	111.2	V200 T233 P234 I235 F243 V247 K251 Q252 L254	V200-V245 HydrophobicContact CG1-CG1 3.84Å; T233-V245 HydrophobicContact CG2-CB 3.72Å; T233-V245 HydrophobicContact CG2-CG1 4.2Å; T233-V245 HydrophobicContact CG2-CG2 4Å; P234-V245 CarbonylContact O-C 3.47Å; P234-V245 VanDerWaalsContact O-CA 3.22Å; P234-V245 WeakPolarHBondContact O-CA 3.18Å; I235-V245 HydrophobicContact CG1-CG1 4.07Å; F243-V245 HydrophobicContact CB-CG1 4.29Å; V245-V247 HydrophobicContact CG2-CG2 4.14Å; V245-K251 CarbonylContact O-C 3.57Å; V245-K251 WeakPolarHBondContact O-CA 3.29Å; V245-Q252 HydrophobicContact CG2-CB 4.08Å; V245-Q252 PolarHBondContact N-O 2.84Å; V245-Q252 PolarHBondContact O-N 3.02Å; V245-L254 HydrophobicContact CG1-CD1 3.75Å; V245-L254 HydrophobicContact CG1-CG 4.28Å; V245-L254 HydrophobicContact CG2-CD1 4.07Å; V245-L254 HydrophobicContact CG2-CD2 4.41Å; V245-L254 HydrophobicContact CG2-CG 4.03Å
246	E	98.3	Very high	98.1	Very high	72 Å²	72	64.2 Å²	64.2	34%	0.336	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	124.1	169.1	-76.3	-178.8	180	0	0	110.7	P234 V236 E250 K251	P234-E246 PolarHBondContact O-N 2.78Å; V236-E246 HydrophobicContact CG1-CG 3.78Å; V236-E246 HydrophobicContact CG2-CG 4.25Å; E246-E250 WeakPolarHBondContact CA-O 3.46Å; E246-K251 HydrophobicContact CG-CG 4.27Å
247	V	97.5	Very high	98.1	Very high	47 Å²	47	63 Å²	63	29%	0.285	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	121	174.3	-178.7	0	0	0	0	107.1	T233 V245 G249 E250	T233-V247 HydrophobicContact CG2-CG2 4.02Å; V245-V247 HydrophobicContact CG2-CG2 4.14Å; V247-G249 PolarHBondContact O-N 3.06Å; V247-G249 VanDerWaalsContact O-N 3.1Å; V247-E250 PolarHBondContact N-O 3Å; V247-E250 PolarHBondContact O-N 2.93Å
248	D	95.1	Very high	98.2	Very high	165 Å²	165	62.3 Å²	62.3	88%	0.882	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	31.1	-176.4	-56.2	-40.2	0	0	0	114.1	E250	D248-E250 VanDerWaalsContact C-N 3.32Å
249	G	93.4	Very high	98.2	Very high	61 Å²	61	62.4 Å²	62.4	63%	0.629	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.7	-1.6	-179.2	0	0	0	0	0	115.1	V247	V247-G249 PolarHBondContact O-N 3.06Å; V247-G249 VanDerWaalsContact O-N 3.1Å
250	E	97.7	Very high	98.2	Very high	149 Å²	149	60 Å²	60	70%	0.696	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.4	139.5	177.9	-71.1	-66.3	153.6	0	0	111.3	E246 V247 D248	E246-E250 WeakPolarHBondContact CA-O 3.46Å; V247-E250 PolarHBondContact N-O 3Å; V247-E250 PolarHBondContact O-N 2.93Å; D248-E250 VanDerWaalsContact C-N 3.32Å
251	K	98.3	Very high	98.2	Very high	150 Å²	150	51.9 Å²	51.9	65%	0.652	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.6	126.5	177.5	-68.9	-171.7	-179.6	-171.8	0	110.6	V236 V244 V245 E246	V236-K251 HydrophobicContact CG2-CD 4.5Å; V244-K251 HydrophobicContact CG1-CB 4.09Å; V244-K251 HydrophobicContact CG1-CD 4.36Å; V244-K251 HydrophobicContact CG1-CG 4.44Å; V245-K251 CarbonylContact O-C 3.57Å; V245-K251 WeakPolarHBondContact O-CA 3.29Å; E246-K251 HydrophobicContact CG-CG 4.27Å
252	Q	98.6	Very high	98.2	Very high	86 Å²	86	46.2 Å²	46.2	40%	0.402	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	130.5	176.6	-177.9	177.6	-20.4	0	0	110.5	V244 V245	V244-Q252 WeakPolarHBondContact CA-O 3.35Å; V245-Q252 HydrophobicContact CG2-CB 4.08Å; V245-Q252 PolarHBondContact N-O 2.84Å; V245-Q252 PolarHBondContact O-N 3.02Å
253	Q	98.7	Very high	98	Very high	65 Å²	65	48 Å²	48	30%	0.304	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	130	169.9	179.8	73.9	50.6	0	0	109.8	N239 F243 N255	N239-Q253 PolarHBondContact ND2-OE1 3.01Å; N239-Q253 PolarHBondContact OD1-NE2 3Å; F243-Q253 PolarHBondContact O-NE2 2.71Å; Q253-N255 VanDerWaalsContact CG-OD1 3.28Å; Q253-N255 WeakPolarHBondContact CG-OD1 3.25Å
254	L	98.8	Very high	97.8	Very high	16 Å²	16	48.4 Å²	48.4	8%	0.084	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-103.2	124.1	163.2	-55.2	-178.2	0	0	0	107.5	L162 V200 K230 G242 F243 V245	L162-L254 HydrophobicContact CD1-CB 3.8Å; L162-L254 HydrophobicContact CD2-CB 4.06Å; L162-L254 HydrophobicContact CD2-CD1 3.82Å; V200-L254 HydrophobicContact CG2-CD1 3.79Å; K230-L254 HydrophobicContact CD-CD1 4.12Å; G242-L254 CarbonylContact C-O 3.49Å; G242-L254 WeakPolarHBondContact CA-O 3.37Å; F243-L254 PolarHBondContact N-O 2.91Å; F243-L254 PolarHBondContact O-N 3.48Å; V245-L254 HydrophobicContact CG1-CD1 3.75Å; V245-L254 HydrophobicContact CG1-CG 4.28Å; V245-L254 HydrophobicContact CG2-CD1 4.07Å; V245-L254 HydrophobicContact CG2-CD2 4.41Å; V245-L254 HydrophobicContact CG2-CG 4.03Å
255	N	98.8	Very high	97.7	Very high	81 Å²	81	50 Å²	50	43%	0.433	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-93.7	138.8	177.4	-57.6	-51.8	0	0	0	109.3	N157 S160 K241 Q253	N157-N255 WeakPolarHBondContact OD1-CB 3.48Å; N157-N255 PolarHBondContact OD1-O 3.34Å; S160-N255 PolarHBondContact OG-O 3.04Å; K241-N255 CarbonylContact O-C 3.57Å; K241-N255 VanDerWaalsContact O-CA 3.24Å; K241-N255 WeakPolarHBondContact O-CA 3.29Å; Q253-N255 VanDerWaalsContact CG-OD1 3.28Å; Q253-N255 WeakPolarHBondContact CG-OD1 3.25Å
256	A	98.8	Very high	97.7	Very high	6 Å²	6	52.2 Å²	52.2	5%	0.05	29%	0.288	C	S	.	.			trans	-158.8	143.8	173.2	0	0	0	0	0	111.7	N157 S160 L162 K241 T258	N157-A256 PolarHBondContact OD1-N 2.98Å; S160-A256 WeakPolarHBondContact O-CB 3.27Å; L162-A256 HydrophobicContact CB-CB 4.24Å; L162-A256 HydrophobicContact CD1-CB 3.64Å; L162-A256 HydrophobicContact CG-CB 3.68Å; K241-A256 PolarHBondContact O-N 3.07Å; A256-T258 PolarHBondContact O-N 3.22Å
257	G	98.6	Very high	97.7	Very high	14 Å²	14	48.8 Å²	48.8	14%	0.144	27%	0.272	C	S	.	.	S	Bend	trans	-70.3	-17.9	170.7	0	0	0	0	0	113.3	H140 K144 N157 S160	H140-G257 PolarHBondContact NE2-O 2.81Å; K144-G257 VanDerWaalsContact CE-O 3.25Å; K144-G257 WeakPolarHBondContact CE-O 3.4Å; N157-G257 PolarHBondContact O-N 3.49Å; S160-G257 PolarHBondContact O-N 3.31Å; S160-G257 VanDerWaalsContact O-N 3.13Å
258	T	98.9	Very high	97.7	Very high	3 Å²	3	47.3 Å²	47.3	2%	0.018	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	126.5	177.8	-52.1	0	0	0	0	110.6	F126 L137 H140 I141 S160 I161 L162 A256 V260	F126-T258 HydrophobicContact CD2-CG2 4.19Å; F126-T258 HydrophobicContact CE2-CG2 4.43Å; L137-T258 HydrophobicContact CD1-CG2 3.88Å; H140-T258 PolarHBondContact CD2-OG1 2.85Å; H140-T258 VanDerWaalsContact CD2-OG1 3.29Å; H140-T258 PolarHBondContact NE2-OG1 3.44Å; H140-T258 VanDerWaalsContact NE2-OG1 3.13Å; I141-T258 HydrophobicContact CG1-CG2 4.12Å; S160-T258 PolarHBondContact O-N 2.85Å; I161-T258 CarbonylContact C-O 3.58Å; I161-T258 WeakPolarHBondContact CA-O 3.41Å; I161-T258 HydrophobicContact CG2-CG2 4.37Å; L162-T258 PolarHBondContact N-O 3.11Å; A256-T258 PolarHBondContact O-N 3.22Å; T258-V260 HydrophobicContact CG2-CG2 3.91Å
259	S	98.9	Very high	97.8	Very high	7 Å²	7	45.3 Å²	45.3	5%	0.049	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	127.4	172.1	-67.5	0	0	0	0	109.6	A125 F126	A125-S259 CarbonylContact C-O 3.57Å; A125-S259 VanDerWaalsContact CA-O 3.31Å; A125-S259 WeakPolarHBondContact CA-O 3.44Å; F126-S259 PolarHBondContact N-O 3.27Å
260	V	98.9	Very high	98.1	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	132.5	-176.3	-172.3	0	0	0	0	109.6	F126 I128 L137 L162 V163 G164 F173 T258	F126-V260 HydrophobicContact CB-CG2 4.44Å; F126-V260 WeakPolarHBondContact O-CA 3.34Å; I128-V260 HydrophobicContact CD1-CG1 4.22Å; I128-V260 HydrophobicContact CG1-CG1 4.18Å; L137-V260 HydrophobicContact CD1-CG2 3.79Å; L137-V260 HydrophobicContact CD2-CG1 3.81Å; L137-V260 HydrophobicContact CD2-CG2 3.93Å; L162-V260 PolarHBondContact O-N 3.3Å; V163-V260 CarbonylContact C-O 3.58Å; V163-V260 WeakPolarHBondContact CA-O 3.43Å; G164-V260 PolarHBondContact N-O 2.98Å; F173-V260 HydrophobicContact CD1-CG1 4.32Å; F173-V260 HydrophobicContact CE1-CB 4.08Å; F173-V260 HydrophobicContact CE1-CG1 3.92Å; F173-V260 HydrophobicContact CE1-CG2 3.86Å; F173-V260 HydrophobicContact CZ-CG1 4.42Å; F173-V260 HydrophobicContact CZ-CG2 4.21Å; T258-V260 HydrophobicContact CG2-CG2 3.91Å
261	W	98.8	Very high	98.1	Very high	11 Å²	11	36.2 Å²	36.2	4%	0.042	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	125.3	178.1	-179.5	-101.9	0	0	0	111.7	E114 F116 I118 M121 A125 F126 Q127 I235 A263	E114-W261 WeakPolarHBondContact O-CZ2 3.5Å; E114-W261 PolarHBondContact O-NE1 2.93Å; F116-W261 AromaticContact CD2-CH2 3.9Å; F116-W261 HydrophobicContact CD2-CH2 3.9Å; F116-W261 AromaticContact CD2-CZ2 3.53Å; F116-W261 HydrophobicContact CD2-CZ2 3.53Å; F116-W261 HydrophobicContact CE2-CH2 4.05Å; F116-W261 AromaticContact CE2-CZ2 3.53Å; F116-W261 HydrophobicContact CE2-CZ2 3.53Å; I118-W261 HydrophobicContact CD1-CH2 3.55Å; I118-W261 HydrophobicContact CD1-CZ2 4.33Å; I118-W261 HydrophobicContact CD1-CZ3 4Å; M121-W261 HydrophobicContact CE-CD2 4.41Å; M121-W261 HydrophobicContact CE-CE3 3.56Å; M121-W261 HydrophobicContact CE-CZ3 3.72Å; M121-W261 HydrophobicContact CG-CB 4.37Å; M121-W261 HydrophobicContact CG-CD2 3.87Å; M121-W261 HydrophobicContact CG-CE3 3.97Å; M121-W261 HydrophobicContact CG-CG 4.07Å; M121-W261 HydrophobicContact SD-CB 3.93Å; M121-W261 HydrophobicContact SD-CD2 3.85Å; M121-W261 HydrophobicContact SD-CE3 3.5Å; M121-W261 HydrophobicContact SD-CG 4.07Å; M121-W261 HydrophobicContact SD-CZ3 4.25Å; A125-W261 HydrophobicContact CB-CB 4.35Å; F126-W261 PolarHBondContact O-N 2.96Å; Q127-W261 VanDerWaalsContact OE1-CD1 3.26Å; I235-W261 HydrophobicContact CD1-CE3 4.44Å; I235-W261 HydrophobicContact CD1-CZ3 3.92Å; W261-A263 HydrophobicContact CD2-CB 4.38Å; W261-A263 HydrophobicContact CE3-CB 4.3Å; W261-A263 HydrophobicContact CH2-CB 3.59Å; W261-A263 HydrophobicContact CZ2-CB 3.67Å; W261-A263 HydrophobicContact CZ3-CB 3.92Å
262	A	98.1	Very high	98.1	Very high	17 Å²	17	32.3 Å²	32.3	14%	0.14	17%	0.173	C	C	.	.			trans	-139.5	9.7	-178.7	0	0	0	0	0	113.3	G164 T169	G164-A262 CarbonylContact O-C 3.53Å; G164-A262 WeakPolarHBondContact O-CA 3.39Å; G164-A262 PolarHBondContact O-N 2.83Å; T169-A262 HydrophobicContact CG2-CB 4.2Å
263	A	96	Very high	98	Very high	37 Å²	37	34.6 Å²	34.6	31%	0.306	18%	0.184	S	C	.	.	S	Bend	trans	-87.1	-12.7	-172.2	0	0	0	0	0	114.5	G164 W261	G164-A263 PolarHBondContact O-N 2.9Å; W261-A263 HydrophobicContact CD2-CB 4.38Å; W261-A263 HydrophobicContact CE3-CB 4.3Å; W261-A263 HydrophobicContact CH2-CB 3.59Å; W261-A263 HydrophobicContact CZ2-CB 3.67Å; W261-A263 HydrophobicContact CZ3-CB 3.92Å
264	G	94.4	Very high	98	Very high	10 Å²	10	31.6 Å²	31.6	10%	0.103	17%	0.17	C	C	.	.			trans	-155.7	136.2	-171.2	0	0	0	0	0	114	E114	E114-G264 PolarHBondContact N-O 2.97Å
265	V	96.8	Very high	98	Very high	52 Å²	52	31.3 Å²	31.3	32%	0.315	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	162.3	167.8	-61.3	0	0	0	0	110.6	F111 V112 E114 R280	F111-V265 HydrophobicContact CB-CB 4.29Å; F111-V265 HydrophobicContact CD2-CB 4.04Å; F111-V265 HydrophobicContact CD2-CG1 3.62Å; F111-V265 HydrophobicContact CE2-CG1 4.01Å; F111-V265 HydrophobicContact CG-CB 4.42Å; F111-V265 HydrophobicContact CG-CG1 4.35Å; V112-V265 CarbonylContact O-C 3.57Å; V112-V265 WeakPolarHBondContact O-CA 3.48Å; E114-V265 WeakPolarHBondContact CB-O 3.42Å; V265-R280 PolarHBondContact O-NH2 3.31Å
266	R	98.1	Very high	97.9	Very high	47 Å²	47	34.5 Å²	34.5	18%	0.177	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	160.2	170.6	57.9	175.3	-62.2	135.2	-6.2	108.7	F111 V112 E114 E272 R280	F111-R266 CarbonylContact C-O 3.58Å; F111-R266 WeakPolarHBondContact CA-O 3.31Å; F111-R266 WeakPolarHBondContact CB-O 3.1Å; V112-R266 HydrophobicContact CG2-CG 3.57Å; V112-R266 PolarHBondContact N-O 3.19Å; V112-R266 PolarHBondContact O-N 3.04Å; E114-R266 HydrophobicContact CB-CB 4.03Å; E114-R266 HydrophobicContact CB-CG 4.12Å; E114-R266 WeakPolarHBondContact OE2-CD 3.43Å; E114-R266 IonicContact OE2-CZ 2.97Å; E114-R266 IonicContact OE2-NH1 3.45Å; E114-R266 PolarHBondContact OE2-NH1 3.42Å; R266-E272 IonicContact CZ-OE1 3.73Å; R266-E272 IonicContact NH2-OE1 3.32Å; R266-E272 PolarHBondContact NH2-OE1 2.95Å; R266-E272 IonicContact NH2-OE2 3.14Å; R266-E272 PolarHBondContact NH2-OE2 2.86Å; R266-R280 WeakPolarHBondContact CA-O 3.31Å; R266-R280 HydrophobicContact CB-CB 4.22Å; R266-R280 VanDerWaalsContact CB-O 3.3Å; R266-R280 WeakPolarHBondContact CB-O 3.28Å
267	G	98.4	Very high	97.9	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	169.9	169.3	0	0	0	0	0	112	K269 R280 G281 D302	G267-K269 PolarHBondContact O-N 3.1Å; G267-R280 PolarHBondContact N-O 3.04Å; G267-G281 WeakPolarHBondContact CA-O 3.18Å; G267-D302 WeakPolarHBondContact CA-O 3.43Å
268	S	98.4	Very high	97.9	Very high	17 Å²	17	37.7 Å²	37.7	12%	0.119	21%	0.209	C	C	.	.			trans	-49.6	138.9	176.8	178.7	0	0	0	0	112.4	G110 L270 M271	G110-S268 PolarHBondContact O-N 2.97Å; S268-L270 PolarHBondContact O-N 2.99Å; S268-L270 PolarHBondContact OG-N 3.41Å; S268-M271 VanDerWaalsContact O-CB 3.24Å; S268-M271 WeakPolarHBondContact O-CB 3.41Å; S268-M271 WeakPolarHBondContact O-CG 3.5Å; S268-M271 PolarHBondContact O-N 3.22Å
269	K	97.5	Very high	97.8	Very high	122 Å²	122	45.8 Å²	45.8	53%	0.53	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-28.6	178.4	-65.5	179.5	-177.7	173.9	0	113.1	G267 M271 E272	G267-K269 PolarHBondContact O-N 3.1Å; K269-M271 PolarHBondContact O-N 2.94Å; K269-E272 PolarHBondContact O-N 2.81Å
270	L	98.5	Very high	97.7	Very high	20 Å²	20	51 Å²	51	11%	0.105	26%	0.263	C	S	.	.	H	α-helix	trans	-57.8	-22.8	175	-75.5	163.5	0	0	0	112.4	V83 T84 L109 S268 E273 S274	V83-L270 HydrophobicContact CB-CD1 3.99Å; V83-L270 HydrophobicContact CG1-CD1 3.8Å; V83-L270 WeakPolarHBondContact O-CD1 3.32Å; T84-L270 WeakPolarHBondContact O-CD2 3.34Å; L109-L270 HydrophobicContact CD1-CB 4.18Å; L109-L270 HydrophobicContact CD1-CD1 3.69Å; S268-L270 PolarHBondContact O-N 2.99Å; S268-L270 PolarHBondContact OG-N 3.41Å; L270-E273 PolarHBondContact O-N 2.85Å; L270-S274 WeakPolarHBondContact O-CB 3.36Å; L270-S274 PolarHBondContact O-N 3.47Å; L270-S274 PolarHBondContact O-OG 3.11Å
271	M	98.7	Very high	97.7	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-62.7	-51.2	179.4	-69.4	-61.4	-56.9	0	0	111.7	V107 S268 K269 E273 S274 F275 V278 G281 I283 V299 C303	V107-M271 HydrophobicContact CG1-SD 3.71Å; S268-M271 VanDerWaalsContact O-CB 3.24Å; S268-M271 WeakPolarHBondContact O-CB 3.41Å; S268-M271 WeakPolarHBondContact O-CG 3.5Å; S268-M271 PolarHBondContact O-N 3.22Å; K269-M271 PolarHBondContact O-N 2.94Å; M271-E273 VanDerWaalsContact C-N 3.28Å; M271-E273 PolarHBondContact O-N 2.92Å; M271-S274 PolarHBondContact O-N 2.87Å; M271-F275 HydrophobicContact CE-CD2 3.62Å; M271-F275 HydrophobicContact CE-CE2 4.06Å; M271-F275 PolarHBondContact O-N 3.31Å; M271-F275 HydrophobicContact SD-CD2 3.92Å; M271-F275 HydrophobicContact SD-CE2 3.92Å; M271-V278 HydrophobicContact CB-CG1 3.84Å; M271-V278 HydrophobicContact CB-CG2 4.37Å; M271-V278 HydrophobicContact CE-CG2 4.48Å; M271-V278 WeakPolarHBondContact O-CG2 3.36Å; M271-G281 WeakPolarHBondContact CB-O 3.18Å; M271-G281 VanDerWaalsContact CG-O 3.27Å; M271-G281 WeakPolarHBondContact CG-O 3.22Å; M271-I283 HydrophobicContact CE-CB 4.02Å; M271-I283 HydrophobicContact CE-CG2 3.71Å; M271-V299 HydrophobicContact CE-CG1 3.65Å; M271-V299 HydrophobicContact CE-CG2 4.3Å; M271-V299 HydrophobicContact SD-CG1 4.26Å; M271-C303 HydrophobicContact CE-CB 4.26Å; M271-C303 HydrophobicContact CG-CB 4Å; M271-C303 HydrophobicContact SD-CB 3.77Å
272	E	97.9	Very high	97.7	Very high	68 Å²	68	53.2 Å²	53.2	32%	0.318	27%	0.271	S	S	.	.	H	α-helix	trans	-64.5	-32.1	177.3	-77.6	95	162.6	0	0	113.5	R266 K269 S274 V278 R280 G281	R266-E272 IonicContact CZ-OE1 3.73Å; R266-E272 IonicContact NH2-OE1 3.32Å; R266-E272 PolarHBondContact NH2-OE1 2.95Å; R266-E272 IonicContact NH2-OE2 3.14Å; R266-E272 PolarHBondContact NH2-OE2 2.86Å; K269-E272 PolarHBondContact O-N 2.81Å; E272-S274 VanDerWaalsContact C-N 3.29Å; E272-V278 HydrophobicContact CG-CB 4.08Å; E272-V278 HydrophobicContact CG-CG1 3.67Å; E272-R280 WeakPolarHBondContact OE1-CA 3.41Å; E272-R280 PolarHBondContact OE1-N 3.04Å; E272-G281 VanDerWaalsContact CD-N 3.33Å; E272-G281 PolarHBondContact OE1-N 3.1Å; E272-G281 WeakPolarHBondContact OE2-CA 3.48Å; E272-G281 PolarHBondContact OE2-N 2.84Å
273	E	97	Very high	97.7	Very high	133 Å²	133	53 Å²	53	62%	0.621	27%	0.268	S	S	*	.	H	α-helix	trans	-74.6	-23.9	179.3	-63.9	167	-160.3	0	0	112	L270 M271	L270-E273 PolarHBondContact O-N 2.85Å; M271-E273 VanDerWaalsContact C-N 3.28Å; M271-E273 PolarHBondContact O-N 2.92Å
274	S	98.2	Very high	97.8	Very high	2 Å²	2	54.5 Å²	54.5	1%	0.014	27%	0.273	C	S	.	.	H	α-helix	trans	-112	-21.7	-168.1	-54.1	0	0	0	0	114.5	I86 R88 L270 M271 E272	I86-S274 WeakPolarHBondContact CB-OG 3.26Å; R88-S274 WeakPolarHBondContact CD-O 3.45Å; R88-S274 PolarHBondContact NH1-O 2.93Å; L270-S274 WeakPolarHBondContact O-CB 3.36Å; L270-S274 PolarHBondContact O-N 3.47Å; L270-S274 PolarHBondContact O-OG 3.11Å; M271-S274 PolarHBondContact O-N 2.87Å; E272-S274 VanDerWaalsContact C-N 3.29Å
275	F	98.3	Very high	98.1	Very high	10 Å²	10	54.4 Å²	54.4	4%	0.044	27%	0.27	C	S	.	.			trans	-138.8	150.1	-174	-53.8	-75.8	0	0	0	112.7	I86 R88 V107 M271 V278 I283 I291 I297	I86-F275 HydrophobicContact CD1-CE2 4.27Å; I86-F275 HydrophobicContact CD1-CZ 4.47Å; I86-F275 HydrophobicContact CG2-CZ 4.13Å; R88-F275 HydrophobicContact CB-CE1 4.21Å; V107-F275 HydrophobicContact CG2-CE2 4.07Å; V107-F275 HydrophobicContact CG2-CZ 3.86Å; M271-F275 HydrophobicContact CE-CD2 3.62Å; M271-F275 HydrophobicContact CE-CE2 4.06Å; M271-F275 PolarHBondContact O-N 3.31Å; M271-F275 HydrophobicContact SD-CD2 3.92Å; M271-F275 HydrophobicContact SD-CE2 3.92Å; F275-V278 HydrophobicContact CB-CG2 3.9Å; F275-V278 WeakPolarHBondContact O-CG2 3.06Å; F275-I283 HydrophobicContact CB-CD1 3.81Å; F275-I283 HydrophobicContact CG-CD1 4.4Å; F275-I291 HydrophobicContact CD1-CD1 3.51Å; F275-I291 HydrophobicContact CE1-CD1 3.73Å; F275-I291 HydrophobicContact CG-CD1 4.41Å; F275-I297 HydrophobicContact CE1-CD1 4.18Å; F275-I297 HydrophobicContact CE1-CG2 4.05Å; F275-I297 HydrophobicContact CZ-CG2 4.22Å
276	E	97.3	Very high	98.1	Very high	148 Å²	148	54.4 Å²	54.4	69%	0.692	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	155.4	175.9	-69	168.3	-152	0	0	111.7	R88 V278	R88-E276 IonicContact NH2-OE1 2.62Å; R88-E276 PolarHBondContact NH2-OE1 3.42Å; E276-V278 VanDerWaalsContact C-N 3.25Å; E276-V278 PolarHBondContact O-N 3.37Å
277	G	97.5	Very high	98.2	Very high	64 Å²	64	54.7 Å²	54.7	66%	0.66	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.3	13.2	175.9	0	0	0	0	0	115.2
278	V	98.5	Very high	98.2	Very high	24 Å²	24	55.5 Å²	55.5	15%	0.145	27%	0.274	C	S	.	.			trans	-74.9	136.8	178.5	179.1	0	0	0	0	111.2	M271 E272 F275 E276 R282 I283	M271-V278 HydrophobicContact CB-CG1 3.84Å; M271-V278 HydrophobicContact CB-CG2 4.37Å; M271-V278 HydrophobicContact CE-CG2 4.48Å; M271-V278 WeakPolarHBondContact O-CG2 3.36Å; E272-V278 HydrophobicContact CG-CB 4.08Å; E272-V278 HydrophobicContact CG-CG1 3.67Å; F275-V278 HydrophobicContact CB-CG2 3.9Å; F275-V278 WeakPolarHBondContact O-CG2 3.06Å; E276-V278 VanDerWaalsContact C-N 3.25Å; E276-V278 PolarHBondContact O-N 3.37Å; V278-R282 WeakPolarHBondContact CA-O 3.25Å; V278-I283 HydrophobicContact CG2-CB 4.14Å; V278-I283 HydrophobicContact CG2-CD1 4.35Å; V278-I283 HydrophobicContact CG2-CG1 4.42Å
279	K	97.9	Very high	98.2	Very high	173 Å²	173	54.7 Å²	54.7	75%	0.752	27%	0.268	S	S	*	.	B	Isolated β-bridge	trans	-127.7	117.7	174.2	-63.1	178.6	-177.1	176.5	0	109.4	G281 R282	K279-G281 VanDerWaalsContact C-N 3.29Å; K279-G281 PolarHBondContact O-N 2.93Å; K279-R282 PolarHBondContact N-O 2.84Å; K279-R282 PolarHBondContact O-N 3.45Å
280	R	96.8	Very high	98.3	Very high	115 Å²	115	48.9 Å²	48.9	43%	0.434	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.3	49	-178.3	-65.2	176.6	57.1	-169.4	-5.8	112.2	E114 V265 R266 G267 E272 R282	E114-R280 IonicContact OE2-NE 3.91Å; V265-R280 PolarHBondContact O-NH2 3.31Å; R266-R280 WeakPolarHBondContact CA-O 3.31Å; R266-R280 HydrophobicContact CB-CB 4.22Å; R266-R280 VanDerWaalsContact CB-O 3.3Å; R266-R280 WeakPolarHBondContact CB-O 3.28Å; G267-R280 PolarHBondContact N-O 3.04Å; E272-R280 WeakPolarHBondContact OE1-CA 3.41Å; E272-R280 PolarHBondContact OE1-N 3.04Å; R280-R282 PolarHBondContact O-N 3.02Å
281	G	98.3	Very high	98.3	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.2	9.4	179.1	0	0	0	0	0	114.7	G267 M271 E272 K279	G267-G281 WeakPolarHBondContact CA-O 3.18Å; M271-G281 WeakPolarHBondContact CB-O 3.18Å; M271-G281 VanDerWaalsContact CG-O 3.27Å; M271-G281 WeakPolarHBondContact CG-O 3.22Å; E272-G281 VanDerWaalsContact CD-N 3.33Å; E272-G281 PolarHBondContact OE1-N 3.1Å; E272-G281 WeakPolarHBondContact OE2-CA 3.48Å; E272-G281 PolarHBondContact OE2-N 2.84Å; K279-G281 VanDerWaalsContact C-N 3.29Å; K279-G281 PolarHBondContact O-N 2.93Å
282	R	98.8	Very high	98.3	Very high	59 Å²	59	53.7 Å²	53.7	22%	0.223	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-115.8	134.2	-178.8	-62.6	176.7	68.9	-167	4.1	111.8	V278 K279 R280 D302 C303 S304 A305 L315	V278-R282 WeakPolarHBondContact CA-O 3.25Å; K279-R282 PolarHBondContact N-O 2.84Å; K279-R282 PolarHBondContact O-N 3.45Å; R280-R282 PolarHBondContact O-N 3.02Å; R282-D302 VanDerWaalsContact CG-O 3.31Å; R282-D302 WeakPolarHBondContact CG-O 3.38Å; R282-C303 WeakPolarHBondContact CA-O 3.35Å; R282-S304 PolarHBondContact NE-O 3.07Å; R282-S304 PolarHBondContact NH2-O 3.46Å; R282-A305 HydrophobicContact CB-CB 4.12Å; R282-L315 PolarHBondContact NH2-O 3.4Å
283	I	98.7	Very high	98.3	Very high	12 Å²	12	54 Å²	54	6%	0.062	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-107.6	137.3	172.9	-164.5	163.9	0	0	0	111.1	M271 F275 V278 T285 I291 V299 C303 S304 A305	M271-I283 HydrophobicContact CE-CB 4.02Å; M271-I283 HydrophobicContact CE-CG2 3.71Å; F275-I283 HydrophobicContact CB-CD1 3.81Å; F275-I283 HydrophobicContact CG-CD1 4.4Å; V278-I283 HydrophobicContact CG2-CB 4.14Å; V278-I283 HydrophobicContact CG2-CD1 4.35Å; V278-I283 HydrophobicContact CG2-CG1 4.42Å; I283-T285 HydrophobicContact CG2-CG2 4.42Å; I283-T285 PolarHBondContact O-N 2.91Å; I283-I291 HydrophobicContact CD1-CB 4.2Å; I283-I291 HydrophobicContact CD1-CD1 4.38Å; I283-I291 HydrophobicContact CD1-CG2 3.91Å; I283-I291 HydrophobicContact CG1-CG2 4.37Å; I283-I291 HydrophobicContact CG2-CG2 3.91Å; I283-V299 HydrophobicContact CG2-CB 3.71Å; I283-V299 HydrophobicContact CG2-CG1 3.62Å; I283-V299 HydrophobicContact CG2-CG2 3.91Å; I283-C303 PolarHBondContact N-O 3.28Å; I283-S304 CarbonylContact O-C 3.53Å; I283-A305 PolarHBondContact O-N 3.29Å
284	V	98.8	Very high	98.4	Very high	68 Å²	68	49.9 Å²	49.9	41%	0.412	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-74.1	119.5	171	-179.7	0	0	0	0	108.5	A305 I307	V284-A305 WeakPolarHBondContact CA-O 3.4Å; V284-A305 HydrophobicContact CG2-CB 4.07Å; V284-I307 HydrophobicContact CG1-CD1 3.9Å; V284-I307 HydrophobicContact CG1-CG1 4.34Å; V284-I307 HydrophobicContact CG2-CD1 4.47Å
285	T	98.9	Very high	98.4	Very high	8 Å²	8	55.2 Å²	55.2	5%	0.049	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-88.6	162.7	-178.4	63.2	0	0	0	0	111.1	I283 T290 I291 V299	I283-T285 HydrophobicContact CG2-CG2 4.42Å; I283-T285 PolarHBondContact O-N 2.91Å; T285-T290 CarbonylContact C-O 3.2Å; T285-T290 WeakPolarHBondContact CA-O 3.37Å; T285-T290 VanDerWaalsContact CB-O 3.3Å; T285-T290 WeakPolarHBondContact CB-O 3.27Å; T285-I291 HydrophobicContact CG2-CG2 4.47Å; T285-V299 HydrophobicContact CG2-CB 4.39Å; T285-V299 WeakPolarHBondContact CG2-O 3.27Å
286	K	98.8	Very high	98.4	Very high	52 Å²	52	56.3 Å²	56.3	23%	0.226	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-66.2	170	159	-54.8	-158	-60.9	-81.6	0	109.9	D288 L289 T290 I291 D295	K286-D288 PolarHBondContact O-N 3.37Å; K286-L289 PolarHBondContact O-N 3.43Å; K286-T290 WeakPolarHBondContact CE-OG1 3.48Å; K286-T290 PolarHBondContact N-O 3.24Å; K286-T290 PolarHBondContact NZ-OG1 3.23Å; K286-I291 PolarHBondContact NZ-O 3.22Å; K286-D295 WeakPolarHBondContact CE-OD1 3.37Å; K286-D295 IonicContact NZ-OD1 2.62Å; K286-D295 PolarHBondContact NZ-OD1 2.95Å
287	Q	98.7	Very high	98.4	Very high	53 Å²	53	49.2 Å²	49.2	25%	0.248	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-26.5	-176.8	-64	-52	97.7	0	0	113.4	L289 I307 E344 F345	Q287-L289 VanDerWaalsContact C-N 3.28Å; Q287-L289 PolarHBondContact O-N 3.3Å; Q287-I307 PolarHBondContact OE1-O 2.95Å; Q287-E344 HydrophobicContact CB-CB 4.04Å; Q287-E344 HydrophobicContact CB-CG 3.69Å; Q287-F345 WeakPolarHBondContact O-CB 3.32Å; Q287-F345 PolarHBondContact O-N 3.31Å
288	D	98.8	Very high	98.5	Very high	17 Å²	17	46.2 Å²	46.2	9%	0.091	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	10.3	176.4	70.1	-9.8	0	0	0	114	K286 T290 F298 N332 T342 E343	K286-D288 PolarHBondContact O-N 3.37Å; D288-T290 VanDerWaalsContact C-N 3.25Å; D288-T290 PolarHBondContact O-N 3.1Å; D288-T290 WeakPolarHBondContact OD1-CB 3.37Å; D288-T290 PolarHBondContact OD1-N 2.75Å; D288-T290 VanDerWaalsContact OD1-N 3.09Å; D288-T290 PolarHBondContact OD1-OG1 2.96Å; D288-F298 WeakPolarHBondContact O-CE1 3.26Å; D288-N332 PolarHBondContact O-ND2 2.92Å; D288-T342 WeakPolarHBondContact OD2-CB 3.48Å; D288-T342 PolarHBondContact OD2-OG1 2.95Å; D288-E343 WeakPolarHBondContact CB-O 3.31Å
289	L	98.9	Very high	98.5	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.233	C	C	.	.	S	Bend	trans	71.6	6.1	-178.2	-52.4	168.7	0	0	0	115.7	K286 Q287 F298 V299 I300 F306 Q325 V329 F345	K286-L289 PolarHBondContact O-N 3.43Å; Q287-L289 VanDerWaalsContact C-N 3.28Å; Q287-L289 PolarHBondContact O-N 3.3Å; L289-F298 HydrophobicContact CB-CD1 4.26Å; L289-F298 WeakPolarHBondContact O-CA 3.35Å; L289-V299 PolarHBondContact O-N 3.39Å; L289-V299 VanDerWaalsContact O-N 3.15Å; L289-I300 HydrophobicContact CB-CG2 4.21Å; L289-I300 HydrophobicContact CD1-CG2 4.1Å; L289-F306 HydrophobicContact CD2-CB 4.39Å; L289-F306 HydrophobicContact CD2-CD2 3.73Å; L289-F306 HydrophobicContact CD2-CE2 4.39Å; L289-F306 HydrophobicContact CD2-CG 4.28Å; L289-Q325 HydrophobicContact CD1-CB 3.73Å; L289-Q325 HydrophobicContact CD1-CG 3.82Å; L289-Q325 HydrophobicContact CD2-CG 3.98Å; L289-V329 HydrophobicContact CB-CG2 4.16Å; L289-V329 HydrophobicContact CD1-CG2 3.86Å; L289-F345 HydrophobicContact CD1-CB 3.97Å; L289-F345 HydrophobicContact CD1-CD1 4.47Å; L289-F345 HydrophobicContact CD1-CD2 4.18Å; L289-F345 HydrophobicContact CD1-CG 3.94Å; L289-F345 HydrophobicContact CD2-CB 3.98Å; L289-F345 HydrophobicContact CD2-CD1 3.81Å; L289-F345 HydrophobicContact CD2-CG 3.99Å; L289-F345 HydrophobicContact CG-CB 3.78Å; L289-F345 HydrophobicContact CG-CD1 4.44Å; L289-F345 HydrophobicContact CG-CG 4.11Å
290	T	98.9	Very high	98.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	175.4	167	65.1	0	0	0	0	111.1	T285 K286 D288 I297 F298	T285-T290 CarbonylContact C-O 3.2Å; T285-T290 WeakPolarHBondContact CA-O 3.37Å; T285-T290 VanDerWaalsContact CB-O 3.3Å; T285-T290 WeakPolarHBondContact CB-O 3.27Å; K286-T290 WeakPolarHBondContact CE-OG1 3.48Å; K286-T290 PolarHBondContact N-O 3.24Å; K286-T290 PolarHBondContact NZ-OG1 3.23Å; D288-T290 VanDerWaalsContact C-N 3.25Å; D288-T290 PolarHBondContact O-N 3.1Å; D288-T290 WeakPolarHBondContact OD1-CB 3.37Å; D288-T290 PolarHBondContact OD1-N 2.75Å; D288-T290 VanDerWaalsContact OD1-N 3.09Å; D288-T290 PolarHBondContact OD1-OG1 2.96Å; T290-I297 CarbonylContact C-O 3.31Å; T290-I297 WeakPolarHBondContact CA-O 3.3Å; T290-F298 HydrophobicContact CG2-CD1 3.63Å; T290-F298 HydrophobicContact CG2-CD2 4.45Å; T290-F298 HydrophobicContact CG2-CE1 3.32Å; T290-F298 HydrophobicContact CG2-CE2 4.17Å; T290-F298 HydrophobicContact CG2-CG 4.2Å; T290-F298 HydrophobicContact CG2-CZ 3.61Å
291	I	98.7	Very high	98.7	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.01	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	159.1	179.5	61	169.5	0	0	0	112.2	F275 I283 T285 K286 G293 Y294 I297 V299	F275-I291 HydrophobicContact CD1-CD1 3.51Å; F275-I291 HydrophobicContact CE1-CD1 3.73Å; F275-I291 HydrophobicContact CG-CD1 4.41Å; I283-I291 HydrophobicContact CD1-CB 4.2Å; I283-I291 HydrophobicContact CD1-CD1 4.38Å; I283-I291 HydrophobicContact CD1-CG2 3.91Å; I283-I291 HydrophobicContact CG1-CG2 4.37Å; I283-I291 HydrophobicContact CG2-CG2 3.91Å; T285-I291 HydrophobicContact CG2-CG2 4.47Å; K286-I291 PolarHBondContact NZ-O 3.22Å; I291-G293 PolarHBondContact O-N 3.49Å; I291-Y294 HydrophobicContact CD1-CD2 3.79Å; I291-Y294 HydrophobicContact CD1-CG 4.3Å; I291-Y294 HydrophobicContact CG1-CD2 4.01Å; I291-Y294 HydrophobicContact CG1-CG 4.37Å; I291-Y294 PolarHBondContact O-N 2.89Å; I291-I297 HydrophobicContact CD1-CB 4.15Å; I291-I297 HydrophobicContact CD1-CG2 3.91Å; I291-I297 HydrophobicContact CG1-CB 4.1Å; I291-I297 HydrophobicContact CG1-CG2 4.21Å; I291-I297 PolarHBondContact N-O 3.41Å; I291-V299 HydrophobicContact CG2-CB 4.14Å; I291-V299 HydrophobicContact CG2-CG2 3.6Å
292	N	98.3	Very high	98.7	Very high	120 Å²	120	32.7 Å²	32.7	64%	0.642	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	131.6	176.4	-74.4	-59.6	0	0	0	110.4	Y294	N292-Y294 VanDerWaalsContact C-N 3.33Å; N292-Y294 WeakPolarHBondContact O-CD2 3.38Å; N292-Y294 PolarHBondContact O-N 3.3Å
293	G	97.8	Very high	98.7	Very high	75 Å²	75	29.9 Å²	29.9	77%	0.773	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.6	-11.7	-177	0	0	0	0	0	115.7	I291	I291-G293 PolarHBondContact O-N 3.49Å
294	Y	98.6	Very high	98.7	Very high	45 Å²	45	29.5 Å²	29.5	18%	0.176	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	102.6	-176.7	-51.5	-97.6	0	0	0	112	R88 D89 I291 N292 N296 I297	R88-Y294 HydrophobicContact CB-CE1 4Å; R88-Y294 VanDerWaalsContact CD-CZ 3.47Å; R88-Y294 VanDerWaalsContact CD-OH 3.25Å; R88-Y294 WeakPolarHBondContact CD-OH 3.15Å; R88-Y294 HydrophobicContact CG-CE1 3.9Å; R88-Y294 PolarHBondContact NE-OH 3.43Å; D89-Y294 PolarHBondContact OD1-OH 3.03Å; D89-Y294 VanDerWaalsContact OD1-OH 3.07Å; I291-Y294 HydrophobicContact CD1-CD2 3.79Å; I291-Y294 HydrophobicContact CD1-CG 4.3Å; I291-Y294 HydrophobicContact CG1-CD2 4.01Å; I291-Y294 HydrophobicContact CG1-CG 4.37Å; I291-Y294 PolarHBondContact O-N 2.89Å; N292-Y294 VanDerWaalsContact C-N 3.33Å; N292-Y294 WeakPolarHBondContact O-CD2 3.38Å; N292-Y294 PolarHBondContact O-N 3.3Å; Y294-N296 PolarHBondContact O-N 3.3Å; Y294-I297 HydrophobicContact CD1-CD1 3.79Å; Y294-I297 HydrophobicContact CG-CD1 3.89Å; Y294-I297 HydrophobicContact CG-CG1 4.41Å
295	D	98.3	Very high	98.7	Very high	115 Å²	115	26.6 Å²	26.6	62%	0.615	16%	0.156	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-78.8	-7.1	175.9	-61.5	-29.9	0	0	0	113.1	K286	K286-D295 WeakPolarHBondContact CE-OD1 3.37Å; K286-D295 IonicContact NZ-OD1 2.62Å; K286-D295 PolarHBondContact NZ-OD1 2.95Å
296	N	98.4	Very high	98.7	Very high	32 Å²	32	26.4 Å²	26.4	17%	0.171	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	5.7	178.7	72.7	-49.3	0	0	0	113.5	D103 I104 L105 Y294	D103-N296 WeakPolarHBondContact O-CB 3.26Å; D103-N296 PolarHBondContact O-ND2 3.08Å; I104-N296 CarbonylContact C-O 3.5Å; I104-N296 WeakPolarHBondContact CA-O 3.44Å; L105-N296 PolarHBondContact N-O 3.38Å; Y294-N296 PolarHBondContact O-N 3.3Å
297	I	98.9	Very high	98.7	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	117.1	179.3	-56.4	-177.7	0	0	0	109.4	R88 F102 L105 V107 F275 T290 I291 Y294 V299	R88-I297 HydrophobicContact CB-CD1 3.86Å; F102-I297 HydrophobicContact CE2-CD1 4.45Å; F102-I297 HydrophobicContact CE2-CG1 4.24Å; F102-I297 HydrophobicContact CZ-CD1 4.28Å; L105-I297 HydrophobicContact CB-CG1 4.17Å; L105-I297 HydrophobicContact CB-CG2 4.33Å; L105-I297 HydrophobicContact CD2-CD1 4.49Å; L105-I297 HydrophobicContact CD2-CG2 4.17Å; L105-I297 HydrophobicContact CG-CG2 4.47Å; L105-I297 WeakPolarHBondContact O-CA 3.12Å; V107-I297 HydrophobicContact CG2-CG2 4.48Å; F275-I297 HydrophobicContact CE1-CD1 4.18Å; F275-I297 HydrophobicContact CE1-CG2 4.05Å; F275-I297 HydrophobicContact CZ-CG2 4.22Å; T290-I297 CarbonylContact C-O 3.31Å; T290-I297 WeakPolarHBondContact CA-O 3.3Å; I291-I297 HydrophobicContact CD1-CB 4.15Å; I291-I297 HydrophobicContact CD1-CG2 3.91Å; I291-I297 HydrophobicContact CG1-CB 4.1Å; I291-I297 HydrophobicContact CG1-CG2 4.21Å; I291-I297 PolarHBondContact N-O 3.41Å; Y294-I297 HydrophobicContact CD1-CD1 3.79Å; Y294-I297 HydrophobicContact CG-CD1 3.89Å; Y294-I297 HydrophobicContact CG-CG1 4.41Å; I297-V299 HydrophobicContact CG2-CG2 4.34Å
298	F	99	Very high	98.7	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	139.6	171.4	-63.1	-91.7	0	0	0	110.1	I104 L105 V106 V107 D288 L289 T290 V329 N332 I333 I336	I104-F298 HydrophobicContact CG2-CD2 4.08Å; I104-F298 HydrophobicContact CG2-CE2 4.02Å; L105-F298 PolarHBondContact O-N 3Å; V106-F298 WeakPolarHBondContact CA-O 3.45Å; V106-F298 HydrophobicContact CG1-CB 4.45Å; V106-F298 HydrophobicContact CG2-CB 4.35Å; V106-F298 HydrophobicContact CG2-CD2 4.46Å; V107-F298 PolarHBondContact N-O 3.45Å; D288-F298 WeakPolarHBondContact O-CE1 3.26Å; L289-F298 HydrophobicContact CB-CD1 4.26Å; L289-F298 WeakPolarHBondContact O-CA 3.35Å; T290-F298 HydrophobicContact CG2-CD1 3.63Å; T290-F298 HydrophobicContact CG2-CD2 4.45Å; T290-F298 HydrophobicContact CG2-CE1 3.32Å; T290-F298 HydrophobicContact CG2-CE2 4.17Å; T290-F298 HydrophobicContact CG2-CG 4.2Å; T290-F298 HydrophobicContact CG2-CZ 3.61Å; F298-V329 HydrophobicContact CB-CG1 4.06Å; F298-V329 HydrophobicContact CB-CG2 4.05Å; F298-V329 HydrophobicContact CD1-CB 4.4Å; F298-V329 HydrophobicContact CD1-CG1 4.09Å; F298-V329 HydrophobicContact CD1-CG2 3.7Å; F298-V329 HydrophobicContact CD2-CG1 4.15Å; F298-V329 HydrophobicContact CE1-CG2 4.43Å; F298-V329 HydrophobicContact CG-CG1 3.84Å; F298-V329 HydrophobicContact CG-CG2 4.05Å; F298-N332 HydrophobicContact CE1-CB 4.07Å; F298-N332 HydrophobicContact CZ-CB 4.1Å; F298-I333 HydrophobicContact CD2-CG1 4.35Å; F298-I333 HydrophobicContact CE2-CG1 3.87Å; F298-I333 HydrophobicContact CZ-CG1 4.39Å; F298-I336 HydrophobicContact CE2-CD1 3.95Å; F298-I336 HydrophobicContact CZ-CD1 3.67Å
299	V	99	Very high	98.5	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	123.5	172.4	-176.7	0	0	0	0	109	V107 M271 I283 T285 L289 I291 I297 C303 S304	V107-V299 HydrophobicContact CB-CG1 4.38Å; V107-V299 HydrophobicContact CB-CG2 4.13Å; V107-V299 HydrophobicContact CG2-CG2 4.28Å; M271-V299 HydrophobicContact CE-CG1 3.65Å; M271-V299 HydrophobicContact CE-CG2 4.3Å; M271-V299 HydrophobicContact SD-CG1 4.26Å; I283-V299 HydrophobicContact CG2-CB 3.71Å; I283-V299 HydrophobicContact CG2-CG1 3.62Å; I283-V299 HydrophobicContact CG2-CG2 3.91Å; T285-V299 HydrophobicContact CG2-CB 4.39Å; T285-V299 WeakPolarHBondContact CG2-O 3.27Å; L289-V299 PolarHBondContact O-N 3.39Å; L289-V299 VanDerWaalsContact O-N 3.15Å; I291-V299 HydrophobicContact CG2-CB 4.14Å; I291-V299 HydrophobicContact CG2-CG2 3.6Å; I297-V299 HydrophobicContact CG2-CG2 4.34Å; V299-C303 HydrophobicContact CG1-CB 3.62Å; V299-C303 WeakPolarHBondContact CG1-O 3.47Å; V299-S304 VanDerWaalsContact O-CB 3.31Å; V299-S304 WeakPolarHBondContact O-CB 3.33Å
300	I	98.9	Very high	98.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	22%	0.218	C	C	.	.			trans	-138.5	168.9	-169.9	57.6	174.2	0	0	0	112.4	A16 T20 V106 V107 A108 L289 Q325 V329	A16-I300 HydrophobicContact CB-CB 4.21Å; A16-I300 HydrophobicContact CB-CD1 3.7Å; A16-I300 HydrophobicContact CB-CG1 3.7Å; T20-I300 WeakPolarHBondContact OG1-CD1 3.38Å; V106-I300 HydrophobicContact CG1-CD1 3.53Å; V106-I300 HydrophobicContact CG1-CG1 3.91Å; V107-I300 PolarHBondContact O-N 3.5Å; A108-I300 HydrophobicContact CB-CD1 4.25Å; A108-I300 HydrophobicContact CB-CG1 3.9Å; L289-I300 HydrophobicContact CB-CG2 4.21Å; L289-I300 HydrophobicContact CD1-CG2 4.1Å; I300-Q325 HydrophobicContact CB-CB 4.04Å; I300-Q325 HydrophobicContact CG2-CB 3.87Å; I300-V329 HydrophobicContact CD1-CG2 4.4Å; I300-V329 HydrophobicContact CG2-CG2 3.53Å
301	G	98.8	Very high	98.3	Very high	7 Å²	7	36.9 Å²	36.9	7%	0.072	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	63.2	-145	-174	0	0	0	0	0	111.5	C303 S304	G301-C303 PolarHBondContact O-N 3.41Å; G301-C303 VanDerWaalsContact O-N 3.13Å; G301-S304 WeakPolarHBondContact O-CB 3.41Å; G301-S304 PolarHBondContact O-N 2.91Å; G301-S304 PolarHBondContact O-OG 3.22Å
302	D	98.7	Very high	98.2	Very high	22 Å²	22	45.5 Å²	45.5	12%	0.118	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-72.2	-6	-173.6	-71.4	23.2	0	0	0	114.1	F111 G267 R282 S304 T317	F111-D302 HydrophobicContact CB-CB 3.83Å; F111-D302 WeakPolarHBondContact CB-OD2 3.46Å; F111-D302 WeakPolarHBondContact CD1-OD2 3.39Å; G267-D302 WeakPolarHBondContact CA-O 3.43Å; R282-D302 VanDerWaalsContact CG-O 3.31Å; R282-D302 WeakPolarHBondContact CG-O 3.38Å; D302-S304 VanDerWaalsContact C-N 3.3Å; D302-T317 HydrophobicContact CB-CG2 4.2Å
303	C	98.9	Very high	98.1	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-81.3	-8.6	167.2	-67.4	0	0	0	0	112.8	G110 M271 R282 I283 V299 G301	G110-C303 PolarHBondContact O-SG 3.2Å; G110-C303 VanDerWaalsContact O-SG 3.37Å; M271-C303 HydrophobicContact CE-CB 4.26Å; M271-C303 HydrophobicContact CG-CB 4Å; M271-C303 HydrophobicContact SD-CB 3.77Å; R282-C303 WeakPolarHBondContact CA-O 3.35Å; I283-C303 PolarHBondContact N-O 3.28Å; V299-C303 HydrophobicContact CG1-CB 3.62Å; V299-C303 WeakPolarHBondContact CG1-O 3.47Å; G301-C303 PolarHBondContact O-N 3.41Å; G301-C303 VanDerWaalsContact O-N 3.13Å
304	S	98.9	Very high	98	Very high	4 Å²	4	48.3 Å²	48.3	3%	0.028	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-108.6	151.5	-175.3	76.4	0	0	0	0	113.3	R282 I283 V299 G301 D302 Q325	R282-S304 PolarHBondContact NE-O 3.07Å; R282-S304 PolarHBondContact NH2-O 3.46Å; I283-S304 CarbonylContact O-C 3.53Å; V299-S304 VanDerWaalsContact O-CB 3.31Å; V299-S304 WeakPolarHBondContact O-CB 3.33Å; G301-S304 WeakPolarHBondContact O-CB 3.41Å; G301-S304 PolarHBondContact O-N 2.91Å; G301-S304 PolarHBondContact O-OG 3.22Å; D302-S304 VanDerWaalsContact C-N 3.3Å; S304-Q325 PolarHBondContact OG-NE2 2.77Å; S304-Q325 PolarHBondContact OG-OE1 3.48Å
305	A	98.8	Very high	98	Very high	6 Å²	6	47.2 Å²	47.2	5%	0.05	27%	0.266	C	S	.	.			trans	-126.4	71.6	169.4	0	0	0	0	0	109.3	R282 I283 V284 I307 P314	R282-A305 HydrophobicContact CB-CB 4.12Å; I283-A305 PolarHBondContact O-N 3.29Å; V284-A305 WeakPolarHBondContact CA-O 3.4Å; V284-A305 HydrophobicContact CG2-CB 4.07Å; A305-I307 PolarHBondContact O-N 2.94Å; A305-P314 HydrophobicContact CB-CB 3.87Å; A305-P314 HydrophobicContact CB-CG 3.94Å
306	F	98.8	Very high	97.9	Very high	5 Å²	5	45.8 Å²	45.8	2%	0.022	26%	0.263	C	S	.	.			trans	-69.5	126.7	175.8	178.1	-97.1	0	0	0	111	L289 P308 P314 L315 F345	L289-F306 HydrophobicContact CD2-CB 4.39Å; L289-F306 HydrophobicContact CD2-CD2 3.73Å; L289-F306 HydrophobicContact CD2-CE2 4.39Å; L289-F306 HydrophobicContact CD2-CG 4.28Å; F306-P308 HydrophobicContact CD1-CG 4.35Å; F306-P308 HydrophobicContact CE1-CB 4.25Å; F306-P308 HydrophobicContact CE1-CG 4.08Å; F306-P314 CarbonylContact O-C 3.59Å; F306-P314 VanDerWaalsContact O-CA 3.26Å; F306-P314 WeakPolarHBondContact O-CA 3.46Å; F306-L315 HydrophobicContact CD1-CD1 3.86Å; F306-L315 HydrophobicContact CD1-CG 4.38Å; F306-L315 HydrophobicContact CE1-CD1 4.42Å; F306-L315 PolarHBondContact O-N 2.84Å; F306-F345 AromaticContact CD1-CD1 3.68Å; F306-F345 HydrophobicContact CD1-CD1 3.68Å; F306-F345 AromaticContact CD1-CE1 3.87Å; F306-F345 HydrophobicContact CD1-CE1 3.87Å; F306-F345 AromaticContact CD2-CD1 3.8Å; F306-F345 HydrophobicContact CD2-CD1 3.8Å; F306-F345 AromaticContact CE1-CD1 3.58Å; F306-F345 HydrophobicContact CE1-CD1 3.58Å; F306-F345 HydrophobicContact CE1-CE1 4.02Å; F306-F345 HydrophobicContact CE2-CB 3.97Å; F306-F345 AromaticContact CE2-CD1 3.71Å; F306-F345 HydrophobicContact CE2-CD1 3.71Å; F306-F345 HydrophobicContact CE2-CG 4.34Å; F306-F345 AromaticContact CG-CD1 3.78Å; F306-F345 HydrophobicContact CG-CD1 3.78Å; F306-F345 HydrophobicContact CG-CE1 4.19Å; F306-F345 HydrophobicContact CZ-CB 4.19Å; F306-F345 AromaticContact CZ-CD1 3.61Å; F306-F345 HydrophobicContact CZ-CD1 3.61Å; F306-F345 HydrophobicContact CZ-CE1 4.48Å; F306-F345 HydrophobicContact CZ-CG 4.33Å; F306-F345 WeakPolarHBondContact CZ-O 3.2Å
307	I	98.7	Very high	97.9	Very high	40 Å²	40	46.5 Å²	46.5	21%	0.205	27%	0.269	C	S	.	.			trans	-105.6	115.7	175.9	-57.7	176	0	0	0	107.4	V284 Q287 A305 E311 P314	V284-I307 HydrophobicContact CG1-CD1 3.9Å; V284-I307 HydrophobicContact CG1-CG1 4.34Å; V284-I307 HydrophobicContact CG2-CD1 4.47Å; Q287-I307 PolarHBondContact OE1-O 2.95Å; A305-I307 PolarHBondContact O-N 2.94Å; I307-E311 WeakPolarHBondContact CG2-O 3.36Å; I307-P314 HydrophobicContact CD1-CG 4.28Å; I307-P314 HydrophobicContact CG1-CB 4.19Å; I307-P314 HydrophobicContact CG1-CG 3.85Å
308	P	98.2	Very high	97.8	Very high	19 Å²	19	48.7 Å²	48.7	12%	0.123	28%	0.282	C	S	.	.			trans	-58.2	148.3	177	-24	34.7	0	0	0	112.2	F306 G310 E311 L315	F306-P308 HydrophobicContact CD1-CG 4.35Å; F306-P308 HydrophobicContact CE1-CB 4.25Å; F306-P308 HydrophobicContact CE1-CG 4.08Å; P308-G310 PolarHBondContact O-N 2.9Å; P308-E311 HydrophobicContact CB-CB 4.29Å; P308-E311 HydrophobicContact CB-CG 4.13Å; P308-E311 WeakPolarHBondContact CB-OE1 3.44Å; P308-E311 HydrophobicContact CG-CG 4.5Å; P308-E311 WeakPolarHBondContact CG-OE1 3.33Å; P308-E311 PolarHBondContact O-N 3.15Å; P308-L315 HydrophobicContact CG-CD1 4.14Å; P308-L315 HydrophobicContact CG-CD2 3.7Å; P308-L315 HydrophobicContact CG-CG 3.72Å
309	A	95.8	Very high	97.8	Very high	78 Å²	78	49.8 Å²	49.8	65%	0.645	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	125.9	175.6	0	0	0	0	0	110.2
310	G	95.5	Very high	97.7	Very high	91 Å²	91	51.8 Å²	51.8	94%	0.938	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	88	-1.1	-177.2	0	0	0	0	0	115.3	P308	P308-G310 PolarHBondContact O-N 2.9Å
311	E	96.6	Very high	97.7	Very high	114 Å²	114	52.1 Å²	52.1	53%	0.533	30%	0.302	S	S	.	.			trans	-108.7	160.5	173.1	-63.9	-172.9	-130.7	0	0	111.6	I307 P308	I307-E311 WeakPolarHBondContact CG2-O 3.36Å; P308-E311 HydrophobicContact CB-CB 4.29Å; P308-E311 HydrophobicContact CB-CG 4.13Å; P308-E311 WeakPolarHBondContact CB-OE1 3.44Å; P308-E311 HydrophobicContact CG-CG 4.5Å; P308-E311 WeakPolarHBondContact CG-OE1 3.33Å; P308-E311 PolarHBondContact O-N 3.15Å
312	E	96.7	Very high	97.7	Very high	182 Å²	182	52 Å²	52	85%	0.85	30%	0.3	S	S	*	.	S	Bend	trans	-105.1	-18.9	177	-65.3	-173	164.7	0	0	113.2
313	R	96.1	Very high	97.7	Very high	202 Å²	202	51.4 Å²	51.4	76%	0.762	30%	0.297	S	S	*	.	S	Bend	trans	-106.7	139.1	-173.5	-67.6	-178.7	-175.9	176.5	1.4	110.4
314	P	97.6	Very high	97.7	Very high	53 Å²	53	52.3 Å²	52.3	34%	0.344	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-63.5	148.4	172.7	-19.6	30.5	0	0	0	111.7	A305 F306 I307	A305-P314 HydrophobicContact CB-CB 3.87Å; A305-P314 HydrophobicContact CB-CG 3.94Å; F306-P314 CarbonylContact O-C 3.59Å; F306-P314 VanDerWaalsContact O-CA 3.26Å; F306-P314 WeakPolarHBondContact O-CA 3.46Å; I307-P314 HydrophobicContact CD1-CG 4.28Å; I307-P314 HydrophobicContact CG1-CB 4.19Å; I307-P314 HydrophobicContact CG1-CG 3.85Å
315	L	97.7	Very high	97.7	Very high	21 Å²	21	52.1 Å²	52.1	11%	0.11	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-58.3	154.7	167.4	-66.8	178.3	0	0	0	111.4	R282 F306 P308 I321 Y347	R282-L315 PolarHBondContact NH2-O 3.4Å; F306-L315 HydrophobicContact CD1-CD1 3.86Å; F306-L315 HydrophobicContact CD1-CG 4.38Å; F306-L315 HydrophobicContact CE1-CD1 4.42Å; F306-L315 PolarHBondContact O-N 2.84Å; P308-L315 HydrophobicContact CG-CD1 4.14Å; P308-L315 HydrophobicContact CG-CD2 3.7Å; P308-L315 HydrophobicContact CG-CG 3.72Å; L315-I321 HydrophobicContact CB-CD1 3.69Å; L315-I321 HydrophobicContact CD1-CD1 4.06Å; L315-I321 HydrophobicContact CD1-CG1 4.34Å; L315-I321 HydrophobicContact CG-CD1 4.42Å; L315-Y347 HydrophobicContact CD1-CD1 3.65Å; L315-Y347 HydrophobicContact CD1-CE1 4.42Å; L315-Y347 HydrophobicContact CD1-CG 3.7Å; L315-Y347 HydrophobicContact CD2-CD1 4.07Å; L315-Y347 HydrophobicContact CD2-CE1 4.43Å
316	P	96	Very high	97.8	Very high	86 Å²	86	51.9 Å²	51.9	56%	0.558	30%	0.298	S	S	*	.	P	Polyproline II helix	trans	-65.3	160.9	175.2	28.3	-35.6	0	0	0	112.3	T318 I321	P316-T318 HydrophobicContact CB-CG2 4.21Å; P316-T318 HydrophobicContact CG-CG2 4.08Å; P316-T318 PolarHBondContact O-N 2.83Å; P316-I321 HydrophobicContact CG-CD1 4.2Å; P316-I321 WeakPolarHBondContact O-CD1 3.43Å
317	T	97.6	Very high	97.8	Very high	47 Å²	47	53.8 Å²	53.8	29%	0.288	31%	0.307	S	S	.	.			trans	-79.2	105.7	174.3	46.3	0	0	0	0	110	D302	D302-T317 HydrophobicContact CB-CG2 4.2Å
318	T	98	Very high	97.8	Very high	46 Å²	46	52.6 Å²	52.6	28%	0.282	30%	0.302	S	S	.	.			trans	-141.2	149.9	-178	73.1	0	0	0	0	112.2	P316 Q320 I321 A322	P316-T318 HydrophobicContact CB-CG2 4.21Å; P316-T318 HydrophobicContact CG-CG2 4.08Å; P316-T318 PolarHBondContact O-N 2.83Å; T318-Q320 PolarHBondContact O-N 2.75Å; T318-I321 HydrophobicContact CG2-CD1 4.35Å; T318-I321 PolarHBondContact O-N 3Å; T318-I321 WeakPolarHBondContact OG1-CD1 3.48Å; T318-I321 WeakPolarHBondContact OG1-CG1 3.45Å; T318-I321 PolarHBondContact OG1-N 2.87Å; T318-I321 VanDerWaalsContact OG1-N 3.11Å; T318-A322 WeakPolarHBondContact O-CB 3.47Å; T318-A322 PolarHBondContact O-N 2.9Å
319	A	98.1	Very high	97.8	Very high	23 Å²	23	51.7 Å²	51.7	19%	0.19	30%	0.297	C	S	.	.	H	α-helix	trans	-57.7	-35.7	171	0	0	0	0	0	112.4	Y15 T48 I321 A322 M323	Y15-A319 HydrophobicContact CD1-CB 4.18Å; Y15-A319 HydrophobicContact CD2-CB 3.49Å; Y15-A319 VanDerWaalsContact CD2-CB 3.49Å; Y15-A319 HydrophobicContact CE1-CB 4.28Å; Y15-A319 HydrophobicContact CE2-CB 3.58Å; Y15-A319 HydrophobicContact CG-CB 3.81Å; T48-A319 HydrophobicContact CG2-CB 3.62Å; A319-I321 PolarHBondContact O-N 3.07Å; A319-A322 PolarHBondContact O-N 2.82Å; A319-M323 VanDerWaalsContact O-CG 3.25Å; A319-M323 WeakPolarHBondContact O-CG 3.33Å; A319-M323 PolarHBondContact O-N 3.48Å
320	Q	98.5	Very high	98	Very high	41 Å²	41	48.2 Å²	48.2	19%	0.192	27%	0.267	C	S	.	.	H	α-helix	trans	-62.9	-44	179.1	-177.6	-173.4	-24.3	0	0	112.1	T318 Q324 Y347 V348 D349 G351	T318-Q320 PolarHBondContact O-N 2.75Å; Q320-Q324 WeakPolarHBondContact O-CG 3.37Å; Q320-Q324 PolarHBondContact O-N 3.4Å; Q320-Y347 HydrophobicContact CG-CE2 4.2Å; Q320-Y347 PolarHBondContact NE2-OH 2.87Å; Q320-V348 PolarHBondContact NE2-O 2.93Å; Q320-D349 PolarHBondContact NE2-OD1 2.95Å; Q320-G351 PolarHBondContact OE1-O 2.87Å
321	I	98.7	Very high	98.1	Very high	7 Å²	7	50.4 Å²	50.4	4%	0.036	25%	0.251	C	S	.	.	H	α-helix	trans	-69.3	-47.1	176.4	-67.1	160.6	0	0	0	109.4	L315 P316 T318 A319 M323 Q324 Q325 F345 Y347	L315-I321 HydrophobicContact CB-CD1 3.69Å; L315-I321 HydrophobicContact CD1-CD1 4.06Å; L315-I321 HydrophobicContact CD1-CG1 4.34Å; L315-I321 HydrophobicContact CG-CD1 4.42Å; P316-I321 HydrophobicContact CG-CD1 4.2Å; P316-I321 WeakPolarHBondContact O-CD1 3.43Å; T318-I321 HydrophobicContact CG2-CD1 4.35Å; T318-I321 PolarHBondContact O-N 3Å; T318-I321 WeakPolarHBondContact OG1-CD1 3.48Å; T318-I321 WeakPolarHBondContact OG1-CG1 3.45Å; T318-I321 PolarHBondContact OG1-N 2.87Å; T318-I321 VanDerWaalsContact OG1-N 3.11Å; A319-I321 PolarHBondContact O-N 3.07Å; I321-M323 VanDerWaalsContact C-N 3.32Å; I321-M323 PolarHBondContact O-N 3.33Å; I321-Q324 PolarHBondContact O-N 3.49Å; I321-Q325 HydrophobicContact CG2-CG 4Å; I321-Q325 WeakPolarHBondContact O-CB 3.4Å; I321-Q325 WeakPolarHBondContact O-CG 3.39Å; I321-Q325 PolarHBondContact O-N 3.49Å; I321-F345 HydrophobicContact CG2-CE1 4.47Å; I321-F345 HydrophobicContact CG2-CZ 4.48Å; I321-Y347 HydrophobicContact CB-CE2 4.49Å; I321-Y347 HydrophobicContact CD1-CE2 4.36Å; I321-Y347 HydrophobicContact CG1-CD2 3.7Å; I321-Y347 HydrophobicContact CG1-CE1 4.41Å; I321-Y347 HydrophobicContact CG1-CE2 3.39Å; I321-Y347 HydrophobicContact CG1-CG 4.32Å
322	A	98.9	Very high	98.2	Very high	4 Å²	4	45.1 Å²	45.1	3%	0.033	23%	0.226	C	C	.	.	H	α-helix	trans	-51.5	-47.5	178.1	0	0	0	0	0	112.7	A16 T318 A319 Q325 G326	A16-A322 WeakPolarHBondContact CA-O 3.39Å; A16-A322 HydrophobicContact CB-CB 3.96Å; T318-A322 WeakPolarHBondContact O-CB 3.47Å; T318-A322 PolarHBondContact O-N 2.9Å; A319-A322 PolarHBondContact O-N 2.82Å; A322-Q325 PolarHBondContact O-N 3.31Å; A322-G326 PolarHBondContact O-N 2.99Å
323	M	98.9	Very high	98.3	Very high	10 Å²	10	36.4 Å²	36.4	5%	0.049	19%	0.186	C	C	.	.	H	α-helix	trans	-67.2	-37.9	177.7	-66.8	-179.2	86.2	0	0	112.8	Y15 Q19 A319 I321 G326 E327 A386 K389 I390	Y15-M323 HydrophobicContact CD1-CG 4.07Å; Y15-M323 HydrophobicContact CD1-SD 4.11Å; Y15-M323 HydrophobicContact CG-CG 4.44Å; Q19-M323 HydrophobicContact CG-CB 4.37Å; Q19-M323 VanDerWaalsContact CG-O 3.3Å; Q19-M323 WeakPolarHBondContact CG-O 3.5Å; A319-M323 VanDerWaalsContact O-CG 3.25Å; A319-M323 WeakPolarHBondContact O-CG 3.33Å; A319-M323 PolarHBondContact O-N 3.48Å; I321-M323 VanDerWaalsContact C-N 3.32Å; I321-M323 PolarHBondContact O-N 3.33Å; M323-G326 PolarHBondContact O-N 3.21Å; M323-E327 PolarHBondContact O-N 3.39Å; M323-E327 VanDerWaalsContact O-N 3.14Å; M323-A386 HydrophobicContact CE-CB 4.2Å; M323-A386 WeakPolarHBondContact CE-O 3.44Å; M323-A386 HydrophobicContact SD-CB 3.96Å; M323-K389 HydrophobicContact CE-CB 3.71Å; M323-K389 HydrophobicContact CE-CD 4.31Å; M323-I390 HydrophobicContact CE-CD1 4.22Å; M323-I390 HydrophobicContact CE-CG1 3.95Å
324	Q	98.9	Very high	98.4	Very high	19 Å²	19	28.7 Å²	28.7	9%	0.089	16%	0.158	C	C	.	.	H	α-helix	trans	-70	-39.5	177.8	-71.8	-173.4	60.8	0	0	111.7	Q320 I321 G326 E327 S328 F345 V348	Q320-Q324 WeakPolarHBondContact O-CG 3.37Å; Q320-Q324 PolarHBondContact O-N 3.4Å; I321-Q324 PolarHBondContact O-N 3.49Å; Q324-G326 VanDerWaalsContact C-N 3.32Å; Q324-G326 PolarHBondContact O-N 3.37Å; Q324-E327 WeakPolarHBondContact O-CB 3.09Å; Q324-E327 PolarHBondContact O-N 3.03Å; Q324-S328 PolarHBondContact O-N 2.83Å; Q324-F345 HydrophobicContact CB-CE2 3.83Å; Q324-F345 HydrophobicContact CB-CZ 4.07Å; Q324-V348 PolarHBondContact NE2-O 3.28Å
325	Q	98.9	Very high	98.5	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-59.6	-44.2	171.3	-72.9	176.2	-32.7	0	0	110.9	L289 I300 S304 I321 A322 E327 S328 V329 F345	L289-Q325 HydrophobicContact CD1-CB 3.73Å; L289-Q325 HydrophobicContact CD1-CG 3.82Å; L289-Q325 HydrophobicContact CD2-CG 3.98Å; I300-Q325 HydrophobicContact CB-CB 4.04Å; I300-Q325 HydrophobicContact CG2-CB 3.87Å; S304-Q325 PolarHBondContact OG-NE2 2.77Å; S304-Q325 PolarHBondContact OG-OE1 3.48Å; I321-Q325 HydrophobicContact CG2-CG 4Å; I321-Q325 WeakPolarHBondContact O-CB 3.4Å; I321-Q325 WeakPolarHBondContact O-CG 3.39Å; I321-Q325 PolarHBondContact O-N 3.49Å; A322-Q325 PolarHBondContact O-N 3.31Å; Q325-E327 VanDerWaalsContact C-N 3.29Å; Q325-E327 PolarHBondContact O-N 3.19Å; Q325-S328 WeakPolarHBondContact O-CB 3.49Å; Q325-S328 PolarHBondContact O-N 3.35Å; Q325-S328 VanDerWaalsContact O-N 3.07Å; Q325-V329 WeakPolarHBondContact O-CG2 3.3Å; Q325-V329 PolarHBondContact O-N 2.81Å; Q325-F345 HydrophobicContact CG-CD1 4.24Å; Q325-F345 HydrophobicContact CG-CE1 3.73Å; Q325-F345 HydrophobicContact CG-CE2 4.08Å; Q325-F345 HydrophobicContact CG-CZ 3.64Å
326	G	98.9	Very high	98.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-59.6	-38.9	177.7	0	0	0	0	0	113.3	T20 A322 M323 Q324 A330	T20-G326 WeakPolarHBondContact CA-O 3.38Å; T20-G326 WeakPolarHBondContact OG1-CA 3.38Å; T20-G326 PolarHBondContact OG1-O 2.93Å; A322-G326 PolarHBondContact O-N 2.99Å; M323-G326 PolarHBondContact O-N 3.21Å; Q324-G326 VanDerWaalsContact C-N 3.32Å; Q324-G326 PolarHBondContact O-N 3.37Å; G326-A330 WeakPolarHBondContact O-CB 3.2Å; G326-A330 PolarHBondContact O-N 2.89Å; G326-A330 VanDerWaalsContact O-N 3.09Å
327	E	98.9	Very high	98.6	Very high	45 Å²	45	29 Å²	29	21%	0.21	15%	0.146	C	C	.	.	H	α-helix	trans	-65.4	-40.1	172.2	-80	164.4	-130.1	0	0	113.4	Q19 K23 M323 Q324 Q325 K331 K389	Q19-E327 HydrophobicContact CG-CG 4.04Å; Q19-E327 PolarHBondContact NE2-OE1 3.43Å; K23-E327 HydrophobicContact CD-CG 4.09Å; K23-E327 HydrophobicContact CG-CG 3.93Å; M323-E327 PolarHBondContact O-N 3.39Å; M323-E327 VanDerWaalsContact O-N 3.14Å; Q324-E327 WeakPolarHBondContact O-CB 3.09Å; Q324-E327 PolarHBondContact O-N 3.03Å; Q325-E327 VanDerWaalsContact C-N 3.29Å; Q325-E327 PolarHBondContact O-N 3.19Å; E327-K331 WeakPolarHBondContact O-CG 3.21Å; E327-K331 PolarHBondContact O-N 2.95Å; E327-K389 WeakPolarHBondContact OE1-CE 3.39Å; E327-K389 IonicContact OE1-NZ 3.11Å; E327-K389 PolarHBondContact OE1-NZ 2.8Å; E327-K389 IonicContact OE2-NZ 2.73Å
328	S	98.9	Very high	98.5	Very high	16 Å²	16	30.4 Å²	30.4	11%	0.112	15%	0.151	C	C	.	.	H	α-helix	trans	-64.2	-50.3	176.9	-171.2	0	0	0	0	111.2	Q324 Q325 A330 K331 N332	Q324-S328 PolarHBondContact O-N 2.83Å; Q325-S328 WeakPolarHBondContact O-CB 3.49Å; Q325-S328 PolarHBondContact O-N 3.35Å; Q325-S328 VanDerWaalsContact O-N 3.07Å; S328-A330 VanDerWaalsContact C-N 3.31Å; S328-A330 PolarHBondContact O-N 2.84Å; S328-K331 WeakPolarHBondContact O-CB 3.5Å; S328-K331 PolarHBondContact O-N 3.4Å; S328-N332 PolarHBondContact O-N 3.27Å
329	V	98.9	Very high	98.4	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-58.1	-42.5	177.7	172.5	0	0	0	0	111.4	T20 V106 L289 F298 I300 Q325 K331 N332 I333	T20-V329 HydrophobicContact CG2-CB 4.29Å; T20-V329 HydrophobicContact CG2-CG1 3.79Å; V106-V329 HydrophobicContact CG1-CG1 4.18Å; V106-V329 HydrophobicContact CG2-CG1 3.8Å; L289-V329 HydrophobicContact CB-CG2 4.16Å; L289-V329 HydrophobicContact CD1-CG2 3.86Å; F298-V329 HydrophobicContact CB-CG1 4.06Å; F298-V329 HydrophobicContact CB-CG2 4.05Å; F298-V329 HydrophobicContact CD1-CB 4.4Å; F298-V329 HydrophobicContact CD1-CG1 4.09Å; F298-V329 HydrophobicContact CD1-CG2 3.7Å; F298-V329 HydrophobicContact CD2-CG1 4.15Å; F298-V329 HydrophobicContact CE1-CG2 4.43Å; F298-V329 HydrophobicContact CG-CG1 3.84Å; F298-V329 HydrophobicContact CG-CG2 4.05Å; I300-V329 HydrophobicContact CD1-CG2 4.4Å; I300-V329 HydrophobicContact CG2-CG2 3.53Å; Q325-V329 WeakPolarHBondContact O-CG2 3.3Å; Q325-V329 PolarHBondContact O-N 2.81Å; V329-K331 VanDerWaalsContact C-N 3.29Å; V329-K331 PolarHBondContact O-N 3.09Å; V329-N332 PolarHBondContact O-N 3.14Å; V329-I333 HydrophobicContact CG1-CD1 3.57Å; V329-I333 HydrophobicContact CG1-CG1 4.05Å; V329-I333 WeakPolarHBondContact O-CB 3.15Å; V329-I333 VanDerWaalsContact O-CG1 3.25Å; V329-I333 WeakPolarHBondContact O-CG1 3.3Å; V329-I333 PolarHBondContact O-N 3.24Å
330	A	98.9	Very high	98.5	Very high	4 Å²	4	35.4 Å²	35.4	3%	0.033	19%	0.187	C	C	.	.	H	α-helix	trans	-59.9	-37.9	177.1	0	0	0	0	0	113	T20 K23 L24 G326 S328 K334	T20-A330 HydrophobicContact CG2-CB 4.48Å; K23-A330 HydrophobicContact CB-CB 3.57Å; L24-A330 HydrophobicContact CB-CB 4.12Å; G326-A330 WeakPolarHBondContact O-CB 3.2Å; G326-A330 PolarHBondContact O-N 2.89Å; G326-A330 VanDerWaalsContact O-N 3.09Å; S328-A330 VanDerWaalsContact C-N 3.31Å; S328-A330 PolarHBondContact O-N 2.84Å; A330-K334 PolarHBondContact O-N 3.13Å
331	K	98.8	Very high	98.4	Very high	138 Å²	138	37.7 Å²	37.7	60%	0.6	21%	0.208	S	C	*	.	H	α-helix	trans	-70.6	-44.1	175.4	-67.2	171.2	-178.5	177.1	0	111.6	E327 S328 V329 K334 R335	E327-K331 WeakPolarHBondContact O-CG 3.21Å; E327-K331 PolarHBondContact O-N 2.95Å; S328-K331 WeakPolarHBondContact O-CB 3.5Å; S328-K331 PolarHBondContact O-N 3.4Å; V329-K331 VanDerWaalsContact C-N 3.29Å; V329-K331 PolarHBondContact O-N 3.09Å; K331-K334 WeakPolarHBondContact O-CB 3.4Å; K331-K334 PolarHBondContact O-N 2.92Å; K331-R335 WeakPolarHBondContact O-CG 3.46Å; K331-R335 PolarHBondContact O-N 3.11Å
332	N	98.9	Very high	98.4	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.011	22%	0.219	C	C	.	.	H	α-helix	trans	-66.9	-37.4	-179.7	-79.2	-16	0	0	0	112.3	D288 F298 S328 V329 K334 R335 I336 T342 E343	D288-N332 PolarHBondContact O-ND2 2.92Å; F298-N332 HydrophobicContact CE1-CB 4.07Å; F298-N332 HydrophobicContact CZ-CB 4.1Å; S328-N332 PolarHBondContact O-N 3.27Å; V329-N332 PolarHBondContact O-N 3.14Å; N332-K334 VanDerWaalsContact C-N 3.34Å; N332-K334 PolarHBondContact O-N 2.87Å; N332-R335 WeakPolarHBondContact O-CB 3.18Å; N332-R335 PolarHBondContact O-N 3.32Å; N332-I336 VanDerWaalsContact O-CG1 3.3Å; N332-I336 WeakPolarHBondContact O-CG1 3.18Å; N332-I336 PolarHBondContact O-N 3.39Å; N332-T342 HydrophobicContact CB-CG2 4.03Å; N332-E343 PolarHBondContact ND2-O 3.12Å; N332-E343 PolarHBondContact OD1-N 2.87Å
333	I	98.8	Very high	98.4	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-61.4	-44.6	171.7	-68.6	173.6	0	0	0	110.4	V8 T20 L24 I104 V106 F298 V329 R335 I336 L337	V8-I333 HydrophobicContact CG1-CD1 3.97Å; V8-I333 HydrophobicContact CG2-CG2 3.97Å; T20-I333 HydrophobicContact CG2-CD1 4.4Å; L24-I333 HydrophobicContact CD1-CB 4.05Å; L24-I333 HydrophobicContact CD1-CG2 3.76Å; L24-I333 HydrophobicContact CD2-CD1 4.26Å; L24-I333 HydrophobicContact CD2-CG2 3.91Å; I104-I333 HydrophobicContact CD1-CG2 4.17Å; I104-I333 HydrophobicContact CG2-CD1 4.13Å; I104-I333 HydrophobicContact CG2-CG1 4.09Å; V106-I333 HydrophobicContact CG2-CD1 3.69Å; F298-I333 HydrophobicContact CD2-CG1 4.35Å; F298-I333 HydrophobicContact CE2-CG1 3.87Å; F298-I333 HydrophobicContact CZ-CG1 4.39Å; V329-I333 HydrophobicContact CG1-CD1 3.57Å; V329-I333 HydrophobicContact CG1-CG1 4.05Å; V329-I333 WeakPolarHBondContact O-CB 3.15Å; V329-I333 VanDerWaalsContact O-CG1 3.25Å; V329-I333 WeakPolarHBondContact O-CG1 3.3Å; V329-I333 PolarHBondContact O-N 3.24Å; I333-R335 VanDerWaalsContact C-N 3.3Å; I333-R335 PolarHBondContact O-N 2.64Å; I333-I336 PolarHBondContact O-N 2.87Å; I333-L337 HydrophobicContact CG2-CD1 3.95Å; I333-L337 HydrophobicContact CG2-CG 4.32Å; I333-L337 VanDerWaalsContact O-CG 3.26Å; I333-L337 WeakPolarHBondContact O-CG 3.31Å; I333-L337 PolarHBondContact O-N 3.38Å
334	K	98.5	Very high	98.4	Very high	39 Å²	39	48.9 Å²	48.9	17%	0.17	26%	0.262	C	S	.	.	H	α-helix	trans	-59.4	-42.3	176.6	179.1	64.5	-172.1	-168.1	0	111.9	A27 I28 E32 A330 K331 N332 L337 N338	A27-K334 HydrophobicContact CB-CG 4.49Å; A27-K334 PolarHBondContact O-NZ 3.27Å; A27-K334 VanDerWaalsContact O-NZ 3.13Å; I28-K334 HydrophobicContact CG2-CD 3.96Å; E32-K334 IonicContact OE1-NZ 2.71Å; E32-K334 PolarHBondContact OE1-NZ 3.04Å; E32-K334 IonicContact OE2-NZ 2.67Å; E32-K334 PolarHBondContact OE2-NZ 3.47Å; A330-K334 PolarHBondContact O-N 3.13Å; K331-K334 WeakPolarHBondContact O-CB 3.4Å; K331-K334 PolarHBondContact O-N 2.92Å; N332-K334 VanDerWaalsContact C-N 3.34Å; N332-K334 PolarHBondContact O-N 2.87Å; K334-L337 PolarHBondContact O-N 3.47Å; K334-N338 VanDerWaalsContact O-CG 3.29Å; K334-N338 PolarHBondContact O-N 3.01Å; K334-N338 VanDerWaalsContact O-N 3.15Å; K334-N338 PolarHBondContact O-ND2 3.26Å
335	R	98.5	Very high	98.4	Very high	73 Å²	73	48.4 Å²	48.4	28%	0.275	26%	0.26	S	S	.	.	H	α-helix	trans	-60.2	-49.2	175.1	-74.6	164.8	173.4	-94	8.8	111.8	K331 N332 I333 L337 N338 G339 E340 S341 E343	K331-R335 WeakPolarHBondContact O-CG 3.46Å; K331-R335 PolarHBondContact O-N 3.11Å; N332-R335 WeakPolarHBondContact O-CB 3.18Å; N332-R335 PolarHBondContact O-N 3.32Å; I333-R335 VanDerWaalsContact C-N 3.3Å; I333-R335 PolarHBondContact O-N 2.64Å; R335-L337 VanDerWaalsContact C-N 3.31Å; R335-L337 PolarHBondContact O-N 3.01Å; R335-N338 CarbonylContact O-C 3.54Å; R335-N338 WeakPolarHBondContact O-CA 3.38Å; R335-N338 WeakPolarHBondContact O-CB 3.32Å; R335-N338 PolarHBondContact O-N 3.49Å; R335-G339 PolarHBondContact O-N 3.3Å; R335-G339 VanDerWaalsContact O-N 3.13Å; R335-E340 HydrophobicContact CB-CB 3.9Å; R335-E340 HydrophobicContact CG-CB 4.25Å; R335-E340 WeakPolarHBondContact O-CB 3.41Å; R335-E340 PolarHBondContact O-N 3.26Å; R335-S341 WeakPolarHBondContact CD-O 3.25Å; R335-S341 PolarHBondContact NH1-O 3Å; R335-E343 IonicContact CZ-OE1 3.69Å; R335-E343 IonicContact NH1-OE1 3.13Å; R335-E343 PolarHBondContact NH1-OE1 3.12Å; R335-E343 IonicContact NH2-OE1 2.97Å; R335-E343 PolarHBondContact NH2-OE1 2.89Å
336	I	98.2	Very high	98.4	Very high	57 Å²	57	56.1 Å²	56.1	29%	0.292	30%	0.296	S	S	.	.	H	α-helix	trans	-57.4	-44.6	176.9	-70	165.6	0	0	0	111.3	I104 F298 N332 I333 N338 G339 T342	I104-I336 HydrophobicContact CD1-CB 4.5Å; I104-I336 HydrophobicContact CD1-CG2 3.87Å; F298-I336 HydrophobicContact CE2-CD1 3.95Å; F298-I336 HydrophobicContact CZ-CD1 3.67Å; N332-I336 VanDerWaalsContact O-CG1 3.3Å; N332-I336 WeakPolarHBondContact O-CG1 3.18Å; N332-I336 PolarHBondContact O-N 3.39Å; I333-I336 PolarHBondContact O-N 2.87Å; I336-N338 PolarHBondContact O-N 3.39Å; I336-G339 PolarHBondContact O-N 2.89Å; I336-T342 HydrophobicContact CD1-CG2 3.85Å; I336-T342 HydrophobicContact CG1-CG2 3.88Å
337	L	96.9	Very high	98.4	Very high	38 Å²	38	59 Å²	59	20%	0.199	31%	0.307	C	S	.	.	H	α-helix	trans	-62.4	-28.3	178.1	-68.4	171	0	0	0	112.8	K6 I28 A33 I333 K334 R335	K6-L337 HydrophobicContact CB-CD2 3.7Å; K6-L337 HydrophobicContact CG-CD2 4.07Å; I28-L337 HydrophobicContact CG2-CD1 3.86Å; A33-L337 HydrophobicContact CB-CD1 3.52Å; A33-L337 HydrophobicContact CB-CD2 3.81Å; A33-L337 HydrophobicContact CB-CG 4.33Å; I333-L337 HydrophobicContact CG2-CD1 3.95Å; I333-L337 HydrophobicContact CG2-CG 4.32Å; I333-L337 VanDerWaalsContact O-CG 3.26Å; I333-L337 WeakPolarHBondContact O-CG 3.31Å; I333-L337 PolarHBondContact O-N 3.38Å; K334-L337 PolarHBondContact O-N 3.47Å; R335-L337 VanDerWaalsContact C-N 3.31Å; R335-L337 PolarHBondContact O-N 3.01Å
338	N	96.6	Very high	98.3	Very high	75 Å²	75	60.3 Å²	60.3	40%	0.401	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-2.3	175.4	-66.3	-16.5	0	0	0	113.7	K334 R335 I336 E340	K334-N338 VanDerWaalsContact O-CG 3.29Å; K334-N338 PolarHBondContact O-N 3.01Å; K334-N338 VanDerWaalsContact O-N 3.15Å; K334-N338 PolarHBondContact O-ND2 3.26Å; R335-N338 CarbonylContact O-C 3.54Å; R335-N338 WeakPolarHBondContact O-CA 3.38Å; R335-N338 WeakPolarHBondContact O-CB 3.32Å; R335-N338 PolarHBondContact O-N 3.49Å; I336-N338 PolarHBondContact O-N 3.39Å; N338-E340 VanDerWaalsContact C-N 3.31Å; N338-E340 HydrophobicContact CB-CG 3.83Å; N338-E340 WeakPolarHBondContact CB-OE2 3.48Å; N338-E340 PolarHBondContact ND2-OE2 3.21Å; N338-E340 VanDerWaalsContact ND2-OE2 3.08Å
339	G	96.5	Very high	98.2	Very high	73 Å²	73	64.8 Å²	64.8	75%	0.753	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.7	21.4	-172.3	0	0	0	0	0	114.2	R335 I336	R335-G339 PolarHBondContact O-N 3.3Å; R335-G339 VanDerWaalsContact O-N 3.13Å; I336-G339 PolarHBondContact O-N 2.89Å
340	E	98.4	Very high	98	Very high	101 Å²	101	70.5 Å²	70.5	47%	0.472	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-92.9	156.8	177.9	-58.9	171.5	132.5	0	0	111	R335 N338	R335-E340 HydrophobicContact CB-CB 3.9Å; R335-E340 HydrophobicContact CG-CB 4.25Å; R335-E340 WeakPolarHBondContact O-CB 3.41Å; R335-E340 PolarHBondContact O-N 3.26Å; N338-E340 VanDerWaalsContact C-N 3.31Å; N338-E340 HydrophobicContact CB-CG 3.83Å; N338-E340 WeakPolarHBondContact CB-OE2 3.48Å; N338-E340 PolarHBondContact ND2-OE2 3.21Å; N338-E340 VanDerWaalsContact ND2-OE2 3.08Å
341	S	98.1	Very high	97.8	Very high	90 Å²	90	70.9 Å²	70.9	63%	0.629	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-68.5	148.7	173	58.1	0	0	0	0	111.9	R335	R335-S341 WeakPolarHBondContact CD-O 3.25Å; R335-S341 PolarHBondContact NH1-O 3Å
342	T	98.8	Very high	97.7	Very high	45 Å²	45	66.7 Å²	66.7	28%	0.276	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-70.3	158.7	170.7	54.2	0	0	0	0	111	D288 N332 I336	D288-T342 WeakPolarHBondContact OD2-CB 3.48Å; D288-T342 PolarHBondContact OD2-OG1 2.95Å; N332-T342 HydrophobicContact CB-CG2 4.03Å; I336-T342 HydrophobicContact CD1-CG2 3.85Å; I336-T342 HydrophobicContact CG1-CG2 3.88Å
343	E	98.8	Very high	97.7	Very high	92 Å²	92	66.6 Å²	66.6	43%	0.43	35%	0.353	S	S	.	.			trans	-111.7	153.6	172.4	-58.5	-71.5	168.1	0	0	110.2	D288 N332 R335	D288-E343 WeakPolarHBondContact CB-O 3.31Å; N332-E343 PolarHBondContact ND2-O 3.12Å; N332-E343 PolarHBondContact OD1-N 2.87Å; R335-E343 IonicContact CZ-OE1 3.69Å; R335-E343 IonicContact NH1-OE1 3.13Å; R335-E343 PolarHBondContact NH1-OE1 3.12Å; R335-E343 IonicContact NH2-OE1 2.97Å; R335-E343 PolarHBondContact NH2-OE1 2.89Å
344	E	98.7	Very high	97.7	Very high	118 Å²	118	66.6 Å²	66.6	55%	0.551	35%	0.353	S	S	*	.			trans	-68.1	152.3	176.1	-59.3	-168.5	177.4	0	0	112.3	Q287	Q287-E344 HydrophobicContact CB-CB 4.04Å; Q287-E344 HydrophobicContact CB-CG 3.69Å
345	F	98.8	Very high	97.7	Very high	9 Å²	9	65.1 Å²	65.1	4%	0.039	35%	0.347	C	S	.	.			trans	-85.3	123.2	172.8	173.4	-118.6	0	0	0	110.7	Q287 L289 F306 I321 Q324 Q325	Q287-F345 WeakPolarHBondContact O-CB 3.32Å; Q287-F345 PolarHBondContact O-N 3.31Å; L289-F345 HydrophobicContact CD1-CB 3.97Å; L289-F345 HydrophobicContact CD1-CD1 4.47Å; L289-F345 HydrophobicContact CD1-CD2 4.18Å; L289-F345 HydrophobicContact CD1-CG 3.94Å; L289-F345 HydrophobicContact CD2-CB 3.98Å; L289-F345 HydrophobicContact CD2-CD1 3.81Å; L289-F345 HydrophobicContact CD2-CG 3.99Å; L289-F345 HydrophobicContact CG-CB 3.78Å; L289-F345 HydrophobicContact CG-CD1 4.44Å; L289-F345 HydrophobicContact CG-CG 4.11Å; F306-F345 AromaticContact CD1-CD1 3.68Å; F306-F345 HydrophobicContact CD1-CD1 3.68Å; F306-F345 AromaticContact CD1-CE1 3.87Å; F306-F345 HydrophobicContact CD1-CE1 3.87Å; F306-F345 AromaticContact CD2-CD1 3.8Å; F306-F345 HydrophobicContact CD2-CD1 3.8Å; F306-F345 AromaticContact CE1-CD1 3.58Å; F306-F345 HydrophobicContact CE1-CD1 3.58Å; F306-F345 HydrophobicContact CE1-CE1 4.02Å; F306-F345 HydrophobicContact CE2-CB 3.97Å; F306-F345 AromaticContact CE2-CD1 3.71Å; F306-F345 HydrophobicContact CE2-CD1 3.71Å; F306-F345 HydrophobicContact CE2-CG 4.34Å; F306-F345 AromaticContact CG-CD1 3.78Å; F306-F345 HydrophobicContact CG-CD1 3.78Å; F306-F345 HydrophobicContact CG-CE1 4.19Å; F306-F345 HydrophobicContact CZ-CB 4.19Å; F306-F345 AromaticContact CZ-CD1 3.61Å; F306-F345 HydrophobicContact CZ-CD1 3.61Å; F306-F345 HydrophobicContact CZ-CE1 4.48Å; F306-F345 HydrophobicContact CZ-CG 4.33Å; F306-F345 WeakPolarHBondContact CZ-O 3.2Å; I321-F345 HydrophobicContact CG2-CE1 4.47Å; I321-F345 HydrophobicContact CG2-CZ 4.48Å; Q324-F345 HydrophobicContact CB-CE2 3.83Å; Q324-F345 HydrophobicContact CB-CZ 4.07Å; Q325-F345 HydrophobicContact CG-CD1 4.24Å; Q325-F345 HydrophobicContact CG-CE1 3.73Å; Q325-F345 HydrophobicContact CG-CE2 4.08Å; Q325-F345 HydrophobicContact CG-CZ 3.64Å
346	E	98.3	Very high	97.7	Very high	164 Å²	164	61.7 Å²	61.7	77%	0.766	33%	0.334	S	S	*	.			trans	-112.6	111.9	172.3	-67.8	177	-134.8	0	0	109.8	V348	E346-V348 PolarHBondContact O-N 3.33Å
347	Y	98.2	Very high	97.7	Very high	60 Å²	60	59.1 Å²	59.1	24%	0.235	32%	0.322	C	S	.	.			trans	-74.5	124.3	176.1	169.8	-121.3	0	0	0	110.9	L315 Q320 I321 D349	L315-Y347 HydrophobicContact CD1-CD1 3.65Å; L315-Y347 HydrophobicContact CD1-CE1 4.42Å; L315-Y347 HydrophobicContact CD1-CG 3.7Å; L315-Y347 HydrophobicContact CD2-CD1 4.07Å; L315-Y347 HydrophobicContact CD2-CE1 4.43Å; Q320-Y347 HydrophobicContact CG-CE2 4.2Å; Q320-Y347 PolarHBondContact NE2-OH 2.87Å; I321-Y347 HydrophobicContact CB-CE2 4.49Å; I321-Y347 HydrophobicContact CD1-CE2 4.36Å; I321-Y347 HydrophobicContact CG1-CD2 3.7Å; I321-Y347 HydrophobicContact CG1-CE1 4.41Å; I321-Y347 HydrophobicContact CG1-CE2 3.39Å; I321-Y347 HydrophobicContact CG1-CG 4.32Å; Y347-D349 HydrophobicContact CD1-CB 4.43Å; Y347-D349 HydrophobicContact CE1-CB 3.62Å; Y347-D349 PolarHBondContact OH-OD1 3.4Å
348	V	97.7	Very high	97.7	Very high	72 Å²	72	59.8 Å²	59.8	44%	0.436	33%	0.33	S	S	.	.			trans	-98.5	105.7	171.1	-176.5	0	0	0	0	109.3	Q320 Q324 E346 R350	Q320-V348 PolarHBondContact NE2-O 2.93Å; Q324-V348 PolarHBondContact NE2-O 3.28Å; E346-V348 PolarHBondContact O-N 3.33Å; V348-R350 HydrophobicContact CG1-CG 4.28Å; V348-R350 PolarHBondContact O-N 2.92Å
349	D	95.7	Very high	97.8	Very high	110 Å²	110	62.2 Å²	62.2	59%	0.588	34%	0.338	S	S	*	.			trans	-71.1	120.4	171.4	-169.2	9.6	0	0	0	110.9	Q320 Y347 G351	Q320-D349 PolarHBondContact NE2-OD1 2.95Å; Y347-D349 HydrophobicContact CD1-CB 4.43Å; Y347-D349 HydrophobicContact CE1-CB 3.62Å; Y347-D349 PolarHBondContact OH-OD1 3.4Å; D349-G351 WeakPolarHBondContact OD1-CA 3.47Å; D349-G351 PolarHBondContact OD1-N 2.96Å
350	R	95.2	Very high	97.9	Very high	120 Å²	120	60 Å²	60	45%	0.453	31%	0.31	S	S	.	.			trans	-107.6	-1.3	178.7	-63.7	172	-176.8	-83.2	-6.6	111.5	V348	V348-R350 HydrophobicContact CG1-CG 4.28Å; V348-R350 PolarHBondContact O-N 2.92Å
351	G	95.5	Very high	97.9	Very high	12 Å²	12	55.2 Å²	55.2	12%	0.124	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	77.7	173.6	-170	0	0	0	0	0	113.2	Q320 D349 M364	Q320-G351 PolarHBondContact OE1-O 2.87Å; D349-G351 WeakPolarHBondContact OD1-CA 3.47Å; D349-G351 PolarHBondContact OD1-N 2.96Å; G351-M364 CarbonylContact C-O 3.53Å; G351-M364 VanDerWaalsContact C-O 3.31Å; G351-M364 WeakPolarHBondContact CA-O 3.41Å
352	T	97.3	Very high	97.9	Very high	50 Å²	50	51 Å²	51	31%	0.307	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	162.3	-178.2	-170.9	0	0	0	0	110.4	F168 F210 G363 M364	F168-T352 HydrophobicContact CE2-CG2 3.78Å; F168-T352 HydrophobicContact CZ-CG2 4.26Å; F210-T352 HydrophobicContact CE1-CG2 4.32Å; F210-T352 HydrophobicContact CZ-CG2 4.22Å; T352-G363 CarbonylContact O-C 3.5Å; T352-G363 WeakPolarHBondContact O-CA 3.47Å; T352-M364 PolarHBondContact N-O 3.27Å; T352-M364 PolarHBondContact O-N 2.94Å
353	V	98.4	Very high	97.9	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.006	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	126.7	175.3	176.7	0	0	0	0	108.6	F168 V362 V365 I370 A375 M378 K379 I382	F168-V353 VanDerWaalsContact CZ-O 3.32Å; F168-V353 WeakPolarHBondContact CZ-O 3.36Å; V353-V362 WeakPolarHBondContact CA-O 3.31Å; V353-V365 HydrophobicContact CG2-CG2 3.84Å; V353-I370 HydrophobicContact CG2-CG2 4.18Å; V353-A375 HydrophobicContact CG1-CB 3.88Å; V353-M378 HydrophobicContact CG2-CB 4.33Å; V353-K379 HydrophobicContact CB-CB 4.1Å; V353-K379 HydrophobicContact CB-CD 4.24Å; V353-K379 HydrophobicContact CG1-CB 3.94Å; V353-K379 VanDerWaalsContact O-CD 3.31Å; V353-K379 WeakPolarHBondContact O-CD 3.36Å; V353-K379 VanDerWaalsContact O-CE 3.28Å; V353-K379 WeakPolarHBondContact O-CE 3.47Å; V353-I382 HydrophobicContact CG2-CD1 4.15Å
354	C	98.5	Very high	97.8	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	122.2	166.3	-178.3	0	0	0	0	107.9	F168 E172 F210 G361 V362	F168-C354 HydrophobicContact CD1-CB 4.35Å; F168-C354 HydrophobicContact CD2-CB 4.12Å; F168-C354 HydrophobicContact CE1-CB 4Å; F168-C354 HydrophobicContact CE2-CB 3.76Å; F168-C354 HydrophobicContact CG-CB 4.43Å; F168-C354 VanDerWaalsContact CZ-CA 3.45Å; F168-C354 HydrophobicContact CZ-CB 3.71Å; E172-C354 HydrophobicContact CG-CB 4.47Å; E172-C354 VanDerWaalsContact CG-SG 3.5Å; F210-C354 HydrophobicContact CE2-CB 3.84Å; F210-C354 HydrophobicContact CZ-CB 4.32Å; C354-G361 CarbonylContact O-C 3.38Å; C354-G361 WeakPolarHBondContact O-CA 3.46Å; C354-V362 HydrophobicContact CB-CG2 4.17Å; C354-V362 PolarHBondContact N-O 3.34Å; C354-V362 PolarHBondContact O-N 3.01Å
355	S	98.7	Very high	97.7	Very high	8 Å²	8	42.6 Å²	42.6	6%	0.056	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	150.8	174.5	57.9	0	0	0	0	111.6	H51 E172	H51-S355 PolarHBondContact NE2-OG 2.73Å; E172-S355 WeakPolarHBondContact CG-OG 3.17Å; E172-S355 PolarHBondContact OE1-N 3.42Å; E172-S355 VanDerWaalsContact OE1-N 3.13Å; E172-S355 PolarHBondContact OE1-OG 2.58Å
356	L	98.7	Very high	97.5	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	71.9	168.2	-70.8	171.1	0	0	0	106.5	V171 A218 Y221 L222 D360 V362	V171-L356 HydrophobicContact CG1-CD2 3.6Å; A218-L356 HydrophobicContact CB-CD1 3.96Å; A218-L356 HydrophobicContact CB-CD2 4.13Å; Y221-L356 HydrophobicContact CD1-CB 3.82Å; Y221-L356 HydrophobicContact CD1-CD1 4.4Å; Y221-L356 HydrophobicContact CD1-CD2 4.3Å; Y221-L356 HydrophobicContact CD1-CG 4.4Å; Y221-L356 HydrophobicContact CE1-CB 3.86Å; Y221-L356 WeakPolarHBondContact CE1-O 3.47Å; Y221-L356 HydrophobicContact CG-CB 4.22Å; Y221-L356 HydrophobicContact CG-CD1 4.21Å; Y221-L356 PolarHBondContact OH-O 3.09Å; Y221-L356 VanDerWaalsContact OH-O 3.06Å; L222-L356 HydrophobicContact CD1-CD2 3.91Å; L222-L356 HydrophobicContact CD2-CD2 4.28Å; L222-L356 HydrophobicContact CG-CD2 4.04Å; L356-D360 HydrophobicContact CB-CB 3.95Å; L356-D360 PolarHBondContact N-O 2.7Å; L356-D360 WeakPolarHBondContact O-CB 3.46Å; L356-V362 HydrophobicContact CD1-CG1 3.99Å
357	G	97.8	Very high	97.2	Very high	4 Å²	4	45.8 Å²	45.8	4%	0.041	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.8	-163.2	-166.5	0	0	0	0	0	112.7	E176 D179 H359	E176-G357 WeakPolarHBondContact OE1-CA 3.48Å; D179-G357 WeakPolarHBondContact OD2-CA 3.47Å; G357-H359 VanDerWaalsContact C-N 3.32Å; G357-H359 PolarHBondContact O-N 3.04Å
358	S	96.7	Very high	97.2	Very high	51 Å²	51	50.1 Å²	50.1	36%	0.357	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-19.2	-168.7	-63.4	0	0	0	0	114.8	D179	D179-S358 WeakPolarHBondContact OD2-CB 2.97Å; D179-S358 PolarHBondContact OD2-N 3.24Å; D179-S358 PolarHBondContact OD2-OG 3.34Å
359	H	98	Very high	97.2	Very high	126 Å²	126	50.2 Å²	50.2	58%	0.583	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.7	-0.1	-165.4	-64	-33.5	0	0	0	114.8	G357 K373	G357-H359 VanDerWaalsContact C-N 3.32Å; G357-H359 PolarHBondContact O-N 3.04Å; H359-K373 WeakPolarHBondContact O-CG 3.41Å
360	D	98.7	Very high	97.3	Very high	28 Å²	28	46.4 Å²	46.4	15%	0.15	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	171.4	179.6	-144.1	-55.9	0	0	0	110.9	H217 Y221 L356 G372	H217-D360 IonicContact CE1-OD1 3.99Å; H217-D360 PolarHBondContact CE1-OD1 3.41Å; H217-D360 IonicContact CE1-OD2 3.91Å; H217-D360 IonicContact ND1-OD1 3.03Å; Y221-D360 HydrophobicContact CD2-CB 3.85Å; Y221-D360 HydrophobicContact CE2-CB 3.44Å; Y221-D360 VanDerWaalsContact CE2-CB 3.44Å; L356-D360 HydrophobicContact CB-CB 3.95Å; L356-D360 PolarHBondContact N-O 2.7Å; L356-D360 WeakPolarHBondContact O-CB 3.46Å; D360-G372 WeakPolarHBondContact OD1-CA 3.15Å; D360-G372 PolarHBondContact OD1-N 2.72Å
361	G	98.6	Very high	97.4	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.3	167.9	178.2	0	0	0	0	0	111.5	C354 A371 G372 A375	C354-G361 CarbonylContact O-C 3.38Å; C354-G361 WeakPolarHBondContact O-CA 3.46Å; G361-A371 CarbonylContact O-C 3.59Å; G361-A371 WeakPolarHBondContact O-CA 3.3Å; G361-G372 PolarHBondContact O-N 3.45Å; G361-G372 VanDerWaalsContact O-N 3.1Å; G361-A375 WeakPolarHBondContact O-CB 3.42Å
362	V	98.6	Very high	97.6	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	142.6	176.1	-68.1	0	0	0	0	109.8	L207 F210 L214 H217 A218 V353 C354 L356 A371	L207-V362 HydrophobicContact CD1-CG2 4.24Å; F210-V362 HydrophobicContact CD2-CG2 4.16Å; F210-V362 HydrophobicContact CE2-CG2 4.09Å; L214-V362 HydrophobicContact CB-CB 4.2Å; L214-V362 HydrophobicContact CB-CG1 4.45Å; L214-V362 HydrophobicContact CD2-CB 4.09Å; L214-V362 HydrophobicContact CD2-CG1 4.21Å; L214-V362 WeakPolarHBondContact O-CG1 3.47Å; H217-V362 HydrophobicContact CB-CG1 4.17Å; A218-V362 HydrophobicContact CB-CG1 4.36Å; A218-V362 HydrophobicContact CB-CG2 4.23Å; V353-V362 WeakPolarHBondContact CA-O 3.31Å; C354-V362 HydrophobicContact CB-CG2 4.17Å; C354-V362 PolarHBondContact N-O 3.34Å; C354-V362 PolarHBondContact O-N 3.01Å; L356-V362 HydrophobicContact CD1-CG1 3.99Å; V362-A371 HydrophobicContact CG1-CB 4.49Å
363	G	98.2	Very high	97.6	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.4	-176.1	-178.4	0	0	0	0	0	115.5	L214 T352 P369 I370	L214-G363 WeakPolarHBondContact CD1-O 3.27Å; T352-G363 CarbonylContact O-C 3.5Å; T352-G363 WeakPolarHBondContact O-CA 3.47Å; G363-P369 CarbonylContact O-C 3.05Å; G363-P369 WeakPolarHBondContact O-CA 3.42Å; G363-I370 PolarHBondContact N-O 3.4Å; G363-I370 PolarHBondContact O-N 2.78Å
364	M	97.7	Very high	97.6	Very high	65 Å²	65	55.6 Å²	55.6	32%	0.32	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	127.6	171.9	-69.2	-66.3	-71.1	0	0	107.9	F210 L214 G351 T352 G367 K368 P369	F210-M364 HydrophobicContact CD1-CG 4.45Å; L214-M364 HydrophobicContact CD1-SD 4.44Å; G351-M364 CarbonylContact C-O 3.53Å; G351-M364 VanDerWaalsContact C-O 3.31Å; G351-M364 WeakPolarHBondContact CA-O 3.41Å; T352-M364 PolarHBondContact N-O 3.27Å; T352-M364 PolarHBondContact O-N 2.94Å; M364-G367 WeakPolarHBondContact CE-O 3.37Å; M364-K368 CarbonylContact C-O 3.59Å; M364-K368 WeakPolarHBondContact CA-O 3.41Å; M364-P369 WeakPolarHBondContact SD-CA 3.43Å; M364-P369 HydrophobicContact SD-CB 3.9Å; M364-P369 VanDerWaalsContact SD-N 3.44Å
365	V	96.4	Very high	97.6	Very high	14 Å²	14	55.6 Å²	55.6	9%	0.085	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	128	177.8	175.8	0	0	0	0	108.2	V353 G367 K368 I370 M378	V353-V365 HydrophobicContact CG2-CG2 3.84Å; V365-G367 PolarHBondContact O-N 3.39Å; V365-K368 PolarHBondContact N-O 3.31Å; V365-K368 PolarHBondContact O-N 2.82Å; V365-I370 HydrophobicContact CB-CG2 4.35Å; V365-I370 HydrophobicContact CG2-CG2 3.81Å; V365-M378 HydrophobicContact CG1-CE 3.94Å; V365-M378 HydrophobicContact CG2-CB 4.26Å; V365-M378 HydrophobicContact CG2-CG 4.45Å
366	F	94	Very high	97.6	Very high	175 Å²	175	55.7 Å²	55.7	77%	0.768	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	38.6	-174.7	-49.4	-52.2	0	0	0	113.3	K368	F366-K368 VanDerWaalsContact C-N 3.25Å; F366-K368 PolarHBondContact O-N 3.24Å
367	G	93.4	Very high	97.6	Very high	66 Å²	66	61 Å²	61	68%	0.68	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.3	9.9	-178.9	0	0	0	0	0	115.2	M364 V365	M364-G367 WeakPolarHBondContact CE-O 3.37Å; V365-G367 PolarHBondContact O-N 3.39Å
368	K	96.7	Very high	97.6	Very high	151 Å²	151	62.6 Å²	62.6	66%	0.657	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119	142.5	179.6	-65	-175.4	175.4	-175.4	0	111.8	M364 V365 F366	M364-K368 CarbonylContact C-O 3.59Å; M364-K368 WeakPolarHBondContact CA-O 3.41Å; V365-K368 PolarHBondContact N-O 3.31Å; V365-K368 PolarHBondContact O-N 2.82Å; F366-K368 VanDerWaalsContact C-N 3.25Å; F366-K368 PolarHBondContact O-N 3.24Å
369	P	97.7	Very high	97.7	Very high	74 Å²	74	61 Å²	61	48%	0.481	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	144.7	174	28.4	-34.3	0	0	0	110.8	L214 G363 M364	L214-P369 HydrophobicContact CD1-CB 4.08Å; L214-P369 HydrophobicContact CD2-CB 4.26Å; L214-P369 HydrophobicContact CG-CB 4.32Å; G363-P369 CarbonylContact O-C 3.05Å; G363-P369 WeakPolarHBondContact O-CA 3.42Å; M364-P369 WeakPolarHBondContact SD-CA 3.43Å; M364-P369 HydrophobicContact SD-CB 3.9Å; M364-P369 VanDerWaalsContact SD-N 3.44Å
370	I	98.5	Very high	97.7	Very high	30 Å²	30	58.7 Å²	58.7	15%	0.154	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	141.7	177.8	-166.7	163.6	0	0	0	109.2	V353 G363 V365 K374 A375 M378	V353-I370 HydrophobicContact CG2-CG2 4.18Å; G363-I370 PolarHBondContact N-O 3.4Å; G363-I370 PolarHBondContact O-N 2.78Å; V365-I370 HydrophobicContact CB-CG2 4.35Å; V365-I370 HydrophobicContact CG2-CG2 3.81Å; I370-K374 HydrophobicContact CD1-CB 3.77Å; I370-K374 HydrophobicContact CG1-CB 3.79Å; I370-A375 HydrophobicContact CG1-CB 4.16Å; I370-A375 HydrophobicContact CG2-CB 4.04Å; I370-M378 HydrophobicContact CD1-CB 4.44Å; I370-M378 HydrophobicContact CD1-CG 3.8Å
371	A	98.5	Very high	97.7	Very high	33 Å²	33	59.7 Å²	59.7	27%	0.273	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	172	177.4	0	0	0	0	0	111.7	L214 G361 V362 A375	L214-A371 HydrophobicContact CD2-CB 4.34Å; G361-A371 CarbonylContact O-C 3.59Å; G361-A371 WeakPolarHBondContact O-CA 3.3Å; V362-A371 HydrophobicContact CG1-CB 4.49Å; A371-A375 PolarHBondContact O-N 2.91Å
372	G	98.2	Very high	97.7	Very high	13 Å²	13	62.3 Å²	62.3	13%	0.134	32%	0.321	C	S	.	.	H	α-helix	trans	68.8	-153.7	172.4	0	0	0	0	0	113.8	D360 G361 K374 A375 A376	D360-G372 WeakPolarHBondContact OD1-CA 3.15Å; D360-G372 PolarHBondContact OD1-N 2.72Å; G361-G372 PolarHBondContact O-N 3.45Å; G361-G372 VanDerWaalsContact O-N 3.1Å; G372-K374 PolarHBondContact O-N 3.32Å; G372-A375 WeakPolarHBondContact O-CA 3.26Å; G372-A375 WeakPolarHBondContact O-CB 3.25Å; G372-A375 PolarHBondContact O-N 3.04Å; G372-A376 PolarHBondContact O-N 3.28Å
373	K	98.1	Very high	97.7	Very high	165 Å²	165	62.7 Å²	62.7	72%	0.717	32%	0.323	S	S	*	.	H	α-helix	trans	-53.4	-31	176.5	-78.2	-177.4	159.8	169.1	0	114.5	H359 F377	H359-K373 WeakPolarHBondContact O-CG 3.41Å; K373-F377 WeakPolarHBondContact O-CB 3.44Å; K373-F377 PolarHBondContact O-N 3.46Å
374	K	98.4	Very high	97.7	Very high	164 Å²	164	63.7 Å²	63.7	71%	0.713	33%	0.329	S	S	*	.	H	α-helix	trans	-68	-41.4	176.9	-65.4	-175.2	178.8	175	0	110.8	I370 G372 M378	I370-K374 HydrophobicContact CD1-CB 3.77Å; I370-K374 HydrophobicContact CG1-CB 3.79Å; G372-K374 PolarHBondContact O-N 3.32Å; K374-M378 WeakPolarHBondContact O-CG 3.45Å; K374-M378 PolarHBondContact O-N 2.82Å
375	A	98.6	Very high	97.7	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-65.2	-48.7	175.1	0	0	0	0	0	110.4	V353 G361 I370 A371 G372 F377 M378 K379	V353-A375 HydrophobicContact CG1-CB 3.88Å; G361-A375 WeakPolarHBondContact O-CB 3.42Å; I370-A375 HydrophobicContact CG1-CB 4.16Å; I370-A375 HydrophobicContact CG2-CB 4.04Å; A371-A375 PolarHBondContact O-N 2.91Å; G372-A375 WeakPolarHBondContact O-CA 3.26Å; G372-A375 WeakPolarHBondContact O-CB 3.25Å; G372-A375 PolarHBondContact O-N 3.04Å; A375-F377 VanDerWaalsContact C-N 3.32Å; A375-F377 PolarHBondContact O-N 3.01Å; A375-M378 CarbonylContact O-C 3.45Å; A375-M378 PolarHBondContact O-N 3.36Å; A375-K379 PolarHBondContact O-N 3.02Å
376	A	98.5	Very high	97.8	Very high	10 Å²	10	65.3 Å²	65.3	8%	0.083	33%	0.333	C	S	.	.	H	α-helix	trans	-55.7	-44.6	177.2	0	0	0	0	0	112.5	G372 K379 K380	G372-A376 PolarHBondContact O-N 3.28Å; A376-K379 PolarHBondContact O-N 3.23Å; A376-K380 PolarHBondContact O-N 3.22Å
377	F	98.6	Very high	98	Very high	113 Å²	113	57 Å²	57	50%	0.496	30%	0.296	S	S	.	.	H	α-helix	trans	-61.1	-46.4	174.3	176.9	-98.5	0	0	0	112	K373 A375 K379 K380 V381 F402	K373-F377 WeakPolarHBondContact O-CB 3.44Å; K373-F377 PolarHBondContact O-N 3.46Å; A375-F377 VanDerWaalsContact C-N 3.32Å; A375-F377 PolarHBondContact O-N 3.01Å; F377-K379 VanDerWaalsContact C-N 3.32Å; F377-K379 PolarHBondContact O-N 3.28Å; F377-K380 PolarHBondContact O-N 3.31Å; F377-V381 HydrophobicContact CD1-CG2 4.24Å; F377-V381 HydrophobicContact CE1-CG2 3.78Å; F377-V381 HydrophobicContact CZ-CG2 3.96Å; F377-V381 WeakPolarHBondContact O-CG2 3.45Å; F377-V381 PolarHBondContact O-N 2.77Å; F377-V381 VanDerWaalsContact O-N 3.1Å; F377-F402 HydrophobicContact CD2-CE1 4.19Å; F377-F402 HydrophobicContact CD2-CZ 4.28Å; F377-F402 AromaticContact CE2-CE1 3.76Å; F377-F402 HydrophobicContact CE2-CE1 3.76Å; F377-F402 AromaticContact CE2-CZ 3.87Å; F377-F402 HydrophobicContact CE2-CZ 3.87Å; F377-F402 HydrophobicContact CZ-CZ 4.38Å
378	M	98.4	Very high	98.3	Very high	37 Å²	37	58.6 Å²	58.6	18%	0.182	29%	0.285	C	S	.	.	H	α-helix	trans	-64.7	-34.4	178.7	-75.6	-53.8	-48.5	0	0	112.9	V353 V365 I370 K374 A375 V381 I382	V353-M378 HydrophobicContact CG2-CB 4.33Å; V365-M378 HydrophobicContact CG1-CE 3.94Å; V365-M378 HydrophobicContact CG2-CB 4.26Å; V365-M378 HydrophobicContact CG2-CG 4.45Å; I370-M378 HydrophobicContact CD1-CB 4.44Å; I370-M378 HydrophobicContact CD1-CG 3.8Å; K374-M378 WeakPolarHBondContact O-CG 3.45Å; K374-M378 PolarHBondContact O-N 2.82Å; A375-M378 CarbonylContact O-C 3.45Å; A375-M378 PolarHBondContact O-N 3.36Å; M378-V381 HydrophobicContact CE-CB 4.28Å; M378-V381 HydrophobicContact CE-CG1 4.28Å; M378-V381 WeakPolarHBondContact O-CB 3.48Å; M378-V381 PolarHBondContact O-N 3.33Å; M378-I382 WeakPolarHBondContact O-CD1 3.34Å; M378-I382 VanDerWaalsContact O-CG1 3.25Å; M378-I382 WeakPolarHBondContact O-CG1 2.88Å; M378-I382 PolarHBondContact O-N 2.57Å
379	K	98.4	Very high	98.3	Very high	18 Å²	18	52.7 Å²	52.7	8%	0.078	26%	0.259	C	S	.	.	H	α-helix	trans	-58.6	-48.2	172.8	-176	57	162.8	79.5	0	111	E172 V353 A375 A376 F377 V381 I382 D383	E172-K379 WeakPolarHBondContact OE1-CE 3.45Å; V353-K379 HydrophobicContact CB-CB 4.1Å; V353-K379 HydrophobicContact CB-CD 4.24Å; V353-K379 HydrophobicContact CG1-CB 3.94Å; V353-K379 VanDerWaalsContact O-CD 3.31Å; V353-K379 WeakPolarHBondContact O-CD 3.36Å; V353-K379 VanDerWaalsContact O-CE 3.28Å; V353-K379 WeakPolarHBondContact O-CE 3.47Å; A375-K379 PolarHBondContact O-N 3.02Å; A376-K379 PolarHBondContact O-N 3.23Å; F377-K379 VanDerWaalsContact C-N 3.32Å; F377-K379 PolarHBondContact O-N 3.28Å; K379-V381 VanDerWaalsContact C-N 3.29Å; K379-V381 PolarHBondContact O-N 2.97Å; K379-I382 PolarHBondContact O-N 3.37Å; K379-I382 VanDerWaalsContact O-N 3.11Å; K379-D383 IonicContact NZ-OD1 3.87Å; K379-D383 PolarHBondContact NZ-OD1 3.29Å; K379-D383 IonicContact NZ-OD2 2.73Å; K379-D383 PolarHBondContact NZ-OD2 3.17Å; K379-D383 VanDerWaalsContact O-CB 3.31Å; K379-D383 WeakPolarHBondContact O-CB 3.5Å; K379-D383 PolarHBondContact O-N 3.49Å
380	K	98.3	Very high	98.3	Very high	77 Å²	77	49.3 Å²	49.3	34%	0.335	24%	0.237	S	C	.	.	H	α-helix	trans	-58.6	-38.1	175.3	-64.5	-176	-176.8	-167.9	0	112.7	A376 F377 T384 K401 F402	A376-K380 PolarHBondContact O-N 3.22Å; F377-K380 PolarHBondContact O-N 3.31Å; K380-T384 VanDerWaalsContact O-CB 3.27Å; K380-T384 WeakPolarHBondContact O-CB 3.44Å; K380-T384 PolarHBondContact O-N 2.87Å; K380-T384 PolarHBondContact O-OG1 3.04Å; K380-K401 HydrophobicContact CB-CB 3.76Å; K380-K401 HydrophobicContact CD-CB 4.37Å; K380-K401 HydrophobicContact CG-CB 3.84Å; K380-F402 HydrophobicContact CB-CE1 4.25Å; K380-F402 HydrophobicContact CB-CE2 3.97Å; K380-F402 HydrophobicContact CB-CZ 3.69Å
381	V	98.3	Very high	98.2	Very high	49 Å²	49	49.2 Å²	49.2	30%	0.297	24%	0.243	S	C	.	.	H	α-helix	trans	-64.7	-46.7	173.6	175.5	0	0	0	0	111.8	F377 M378 K379 R385 F402	F377-V381 HydrophobicContact CD1-CG2 4.24Å; F377-V381 HydrophobicContact CE1-CG2 3.78Å; F377-V381 HydrophobicContact CZ-CG2 3.96Å; F377-V381 WeakPolarHBondContact O-CG2 3.45Å; F377-V381 PolarHBondContact O-N 2.77Å; F377-V381 VanDerWaalsContact O-N 3.1Å; M378-V381 HydrophobicContact CE-CB 4.28Å; M378-V381 HydrophobicContact CE-CG1 4.28Å; M378-V381 WeakPolarHBondContact O-CB 3.48Å; M378-V381 PolarHBondContact O-N 3.33Å; K379-V381 VanDerWaalsContact C-N 3.29Å; K379-V381 PolarHBondContact O-N 2.97Å; V381-R385 WeakPolarHBondContact O-CB 3.44Å; V381-R385 PolarHBondContact O-N 3.43Å; V381-F402 HydrophobicContact CB-CE2 4.49Å; V381-F402 HydrophobicContact CG2-CE2 3.9Å; V381-F402 HydrophobicContact CG2-CZ 3.72Å
382	I	98.1	Very high	98.1	Very high	55 Å²	55	48.7 Å²	48.7	28%	0.282	24%	0.241	S	C	.	.	H	α-helix	trans	-61.7	-47.5	179.7	-68.7	161.4	0	0	0	110.3	V353 M378 K379 R385 A386	V353-I382 HydrophobicContact CG2-CD1 4.15Å; M378-I382 WeakPolarHBondContact O-CD1 3.34Å; M378-I382 VanDerWaalsContact O-CG1 3.25Å; M378-I382 WeakPolarHBondContact O-CG1 2.88Å; M378-I382 PolarHBondContact O-N 2.57Å; K379-I382 PolarHBondContact O-N 3.37Å; K379-I382 VanDerWaalsContact O-N 3.11Å; I382-R385 WeakPolarHBondContact O-CB 3.48Å; I382-R385 PolarHBondContact O-N 3.11Å; I382-A386 PolarHBondContact O-N 3.43Å
383	D	98	Very high	98	Very high	8 Å²	8	54 Å²	54	4%	0.043	27%	0.265	C	S	.	.	H	α-helix	trans	-61.3	-51.6	179.4	-74.8	-16	0	0	0	111.6	W49 K379 R385 A386 V387 K401	W49-D383 HydrophobicContact CZ2-CB 3.64Å; W49-D383 PolarHBondContact NE1-OD1 2.86Å; W49-D383 PolarHBondContact NE1-OD2 3.31Å; K379-D383 IonicContact NZ-OD1 3.87Å; K379-D383 PolarHBondContact NZ-OD1 3.29Å; K379-D383 IonicContact NZ-OD2 2.73Å; K379-D383 PolarHBondContact NZ-OD2 3.17Å; K379-D383 VanDerWaalsContact O-CB 3.31Å; K379-D383 WeakPolarHBondContact O-CB 3.5Å; K379-D383 PolarHBondContact O-N 3.49Å; D383-R385 VanDerWaalsContact C-N 3.26Å; D383-R385 PolarHBondContact O-N 3.24Å; D383-A386 WeakPolarHBondContact O-CB 3.27Å; D383-A386 PolarHBondContact O-N 3.03Å; D383-V387 PolarHBondContact O-N 2.85Å; D383-K401 HydrophobicContact CB-CG 3.83Å; D383-K401 IonicContact OD2-NZ 3.74Å
384	T	98.5	Very high	98	Very high	21 Å²	21	48.3 Å²	48.3	13%	0.129	25%	0.252	C	S	.	.	H	α-helix	trans	-62.7	-35.5	177.5	-55.5	0	0	0	0	111.8	K380 A386 V387 F388 A396 K401 F402	K380-T384 VanDerWaalsContact O-CB 3.27Å; K380-T384 WeakPolarHBondContact O-CB 3.44Å; K380-T384 PolarHBondContact O-N 2.87Å; K380-T384 PolarHBondContact O-OG1 3.04Å; T384-A386 VanDerWaalsContact C-N 3.3Å; T384-A386 PolarHBondContact O-N 3.14Å; T384-V387 PolarHBondContact O-N 2.91Å; T384-F388 WeakPolarHBondContact O-CB 3.45Å; T384-F388 PolarHBondContact O-N 3.34Å; T384-A396 HydrophobicContact CG2-CB 4.11Å; T384-K401 PolarHBondContact OG1-N 2.87Å; T384-F402 HydrophobicContact CG2-CD2 4.16Å; T384-F402 WeakPolarHBondContact OG1-CD2 3.1Å
385	R	98.4	Very high	97.9	Very high	100 Å²	100	41.5 Å²	41.5	38%	0.377	22%	0.224	S	C	.	.	H	α-helix	trans	-65	-34.3	174.4	177.9	177.1	173.5	-88.7	4.4	111.7	V381 I382 D383 F388 K389	V381-R385 WeakPolarHBondContact O-CB 3.44Å; V381-R385 PolarHBondContact O-N 3.43Å; I382-R385 WeakPolarHBondContact O-CB 3.48Å; I382-R385 PolarHBondContact O-N 3.11Å; D383-R385 VanDerWaalsContact C-N 3.26Å; D383-R385 PolarHBondContact O-N 3.24Å; R385-F388 PolarHBondContact O-N 3.36Å; R385-K389 HydrophobicContact CG-CD 4.38Å; R385-K389 HydrophobicContact CG-CG 4.35Å; R385-K389 VanDerWaalsContact O-CG 3.32Å; R385-K389 WeakPolarHBondContact O-CG 3.46Å; R385-K389 PolarHBondContact O-N 2.9Å
386	A	98.2	Very high	97.9	Very high	13 Å²	13	41.8 Å²	41.8	11%	0.107	23%	0.226	C	C	.	.	H	α-helix	trans	-61.8	-50	176.5	0	0	0	0	0	110.7	M323 I382 D383 T384 F388 K389 I390	M323-A386 HydrophobicContact CE-CB 4.2Å; M323-A386 WeakPolarHBondContact CE-O 3.44Å; M323-A386 HydrophobicContact SD-CB 3.96Å; I382-A386 PolarHBondContact O-N 3.43Å; D383-A386 WeakPolarHBondContact O-CB 3.27Å; D383-A386 PolarHBondContact O-N 3.03Å; T384-A386 VanDerWaalsContact C-N 3.3Å; T384-A386 PolarHBondContact O-N 3.14Å; A386-F388 VanDerWaalsContact C-N 3.34Å; A386-F388 PolarHBondContact O-N 2.71Å; A386-K389 PolarHBondContact O-N 2.95Å; A386-K389 VanDerWaalsContact O-N 3.12Å; A386-I390 PolarHBondContact O-N 3.23Å
387	V	98.5	Very high	97.8	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-57.8	-45.4	174.7	-177.6	0	0	0	0	111.4	W49 D383 T384 K389 I390 G391 L395 K399	W49-V387 HydrophobicContact CH2-CG2 3.76Å; W49-V387 HydrophobicContact CZ2-CG2 4.12Å; D383-V387 PolarHBondContact O-N 2.85Å; T384-V387 PolarHBondContact O-N 2.91Å; V387-K389 VanDerWaalsContact C-N 3.32Å; V387-K389 PolarHBondContact O-N 3.01Å; V387-I390 PolarHBondContact O-N 3.13Å; V387-G391 PolarHBondContact O-N 3.27Å; V387-L395 HydrophobicContact CG1-CB 4.09Å; V387-L395 HydrophobicContact CG1-CD2 3.82Å; V387-L395 HydrophobicContact CG1-CG 3.58Å; V387-K399 HydrophobicContact CG1-CB 4.25Å
388	F	98.5	Very high	97.8	Very high	100 Å²	100	52.2 Å²	52.2	44%	0.439	27%	0.27	S	S	.	.	H	α-helix	trans	-58	-42	176.3	170.7	-99.6	0	0	0	112.7	T384 R385 A386 I390 G392 I393 A396	T384-F388 WeakPolarHBondContact O-CB 3.45Å; T384-F388 PolarHBondContact O-N 3.34Å; R385-F388 PolarHBondContact O-N 3.36Å; A386-F388 VanDerWaalsContact C-N 3.34Å; A386-F388 PolarHBondContact O-N 2.71Å; F388-I390 VanDerWaalsContact C-N 3.25Å; F388-I390 PolarHBondContact O-N 3.01Å; F388-G392 WeakPolarHBondContact O-CA 3.46Å; F388-G392 PolarHBondContact O-N 3Å; F388-I393 HydrophobicContact CD2-CB 4.25Å; F388-I393 HydrophobicContact CD2-CD1 4.16Å; F388-I393 HydrophobicContact CE2-CB 4.15Å; F388-I393 HydrophobicContact CE2-CD1 4.35Å; F388-A396 HydrophobicContact CB-CB 3.81Å
389	K	97.8	Very high	97.7	Very high	26 Å²	26	52.9 Å²	52.9	11%	0.113	27%	0.272	C	S	.	.	H	α-helix	trans	-66	-28.7	-176.7	-78.8	-174.4	76.9	-170.7	0	112.9	Q19 M323 E327 R385 A386 V387	Q19-K389 PolarHBondContact OE1-O 2.84Å; M323-K389 HydrophobicContact CE-CB 3.71Å; M323-K389 HydrophobicContact CE-CD 4.31Å; E327-K389 WeakPolarHBondContact OE1-CE 3.39Å; E327-K389 IonicContact OE1-NZ 3.11Å; E327-K389 PolarHBondContact OE1-NZ 2.8Å; E327-K389 IonicContact OE2-NZ 2.73Å; R385-K389 HydrophobicContact CG-CD 4.38Å; R385-K389 HydrophobicContact CG-CG 4.35Å; R385-K389 VanDerWaalsContact O-CG 3.32Å; R385-K389 WeakPolarHBondContact O-CG 3.46Å; R385-K389 PolarHBondContact O-N 2.9Å; A386-K389 PolarHBondContact O-N 2.95Å; A386-K389 VanDerWaalsContact O-N 3.12Å; V387-K389 VanDerWaalsContact C-N 3.32Å; V387-K389 PolarHBondContact O-N 3.01Å
390	I	97.6	Very high	97.6	Very high	4 Å²	4	52.9 Å²	52.9	2%	0.021	28%	0.277	C	S	.	.	H	α-helix	trans	-87.3	-62.4	176.9	-64.1	179.2	0	0	0	110.6	L18 T22 V70 M323 A386 V387 F388	L18-I390 HydrophobicContact CD2-CG2 3.67Å; L18-I390 HydrophobicContact CG-CG2 3.76Å; T22-I390 HydrophobicContact CG2-CG2 4.01Å; V70-I390 HydrophobicContact CG2-CG2 4.25Å; M323-I390 HydrophobicContact CE-CD1 4.22Å; M323-I390 HydrophobicContact CE-CG1 3.95Å; A386-I390 PolarHBondContact O-N 3.23Å; V387-I390 PolarHBondContact O-N 3.13Å; F388-I390 VanDerWaalsContact C-N 3.25Å; F388-I390 PolarHBondContact O-N 3.01Å
391	G	96	Very high	97.5	Very high	27 Å²	27	51.3 Å²	51.3	28%	0.278	27%	0.27	S	S	.	.	H	α-helix	trans	-99.8	-1.1	-169.5	0	0	0	0	0	116.2	V387	V387-G391 PolarHBondContact O-N 3.27Å
392	G	96.8	Very high	97.4	Very high	22 Å²	22	56.3 Å²	56.3	23%	0.227	29%	0.288	C	S	.	.	H	α-helix	trans	75.1	-172.3	-176.7	0	0	0	0	0	113.8	F388 G394 L395 A396	F388-G392 WeakPolarHBondContact O-CA 3.46Å; F388-G392 PolarHBondContact O-N 3Å; G392-G394 VanDerWaalsContact C-N 3.32Å; G392-G394 PolarHBondContact O-N 3.26Å; G392-L395 PolarHBondContact O-N 3.15Å; G392-A396 PolarHBondContact O-N 2.73Å; G392-A396 VanDerWaalsContact O-N 3.08Å
393	I	97.1	Very high	97.3	Very high	126 Å²	126	56.4 Å²	56.4	65%	0.646	29%	0.289	S	S	*	.	H	α-helix	trans	-65	-33.5	-170.4	-162.9	63.7	0	0	0	113.4	F388 L395 A396 F397	F388-I393 HydrophobicContact CD2-CB 4.25Å; F388-I393 HydrophobicContact CD2-CD1 4.16Å; F388-I393 HydrophobicContact CE2-CB 4.15Å; F388-I393 HydrophobicContact CE2-CD1 4.35Å; I393-L395 PolarHBondContact O-N 3.45Å; I393-A396 PolarHBondContact O-N 3.13Å; I393-F397 WeakPolarHBondContact O-CB 3.46Å; I393-F397 PolarHBondContact O-N 2.76Å
394	G	96.9	Very high	97.3	Very high	44 Å²	44	58.9 Å²	58.9	45%	0.454	30%	0.301	S	S	.	.	H	α-helix	trans	-65.9	-38.2	179.4	0	0	0	0	0	112.7	G392 K398	G392-G394 VanDerWaalsContact C-N 3.32Å; G392-G394 PolarHBondContact O-N 3.26Å; G394-K398 WeakPolarHBondContact O-CG 3.47Å; G394-K398 PolarHBondContact O-N 3.48Å
395	L	97.2	Very high	97.2	Very high	21 Å²	21	61 Å²	61	11%	0.11	31%	0.311	C	S	.	.	H	α-helix	trans	-75.1	-40.7	175.1	-168.3	66.1	0	0	0	111.1	Y65 V70 V387 G392 I393 F397 K398 K399	Y65-L395 HydrophobicContact CD1-CD2 4.17Å; Y65-L395 HydrophobicContact CD2-CD2 3.82Å; Y65-L395 HydrophobicContact CE1-CD2 4.04Å; Y65-L395 HydrophobicContact CE2-CD2 3.67Å; Y65-L395 HydrophobicContact CG-CD1 4.22Å; Y65-L395 HydrophobicContact CG-CD2 4.06Å; V70-L395 HydrophobicContact CG1-CD2 3.82Å; V387-L395 HydrophobicContact CG1-CB 4.09Å; V387-L395 HydrophobicContact CG1-CD2 3.82Å; V387-L395 HydrophobicContact CG1-CG 3.58Å; G392-L395 PolarHBondContact O-N 3.15Å; I393-L395 PolarHBondContact O-N 3.45Å; L395-F397 VanDerWaalsContact C-N 3.25Å; L395-F397 PolarHBondContact O-N 3.47Å; L395-K398 PolarHBondContact O-N 2.62Å; L395-K399 HydrophobicContact CD1-CB 4.49Å; L395-K399 HydrophobicContact CD1-CG 4.11Å; L395-K399 PolarHBondContact O-N 3.08Å
396	A	97.9	Very high	97.2	Very high	7 Å²	7	58.7 Å²	58.7	6%	0.058	31%	0.307	C	S	.	.	H	α-helix	trans	-59.4	-35.2	176.8	0	0	0	0	0	112.9	T384 F388 G392 I393 G400	T384-A396 HydrophobicContact CG2-CB 4.11Å; F388-A396 HydrophobicContact CB-CB 3.81Å; G392-A396 PolarHBondContact O-N 2.73Å; G392-A396 VanDerWaalsContact O-N 3.08Å; I393-A396 PolarHBondContact O-N 3.13Å; A396-G400 WeakPolarHBondContact O-CA 3.32Å; A396-G400 PolarHBondContact O-N 2.97Å
397	F	97.5	Very high	97.1	Very high	175 Å²	175	61.6 Å²	61.6	77%	0.768	32%	0.32	S	S	*	.	H	α-helix	trans	-70.4	-30.6	173.7	-176.8	-95.3	0	0	0	113.2	I393 L395	I393-F397 WeakPolarHBondContact O-CB 3.46Å; I393-F397 PolarHBondContact O-N 2.76Å; L395-F397 VanDerWaalsContact C-N 3.25Å; L395-F397 PolarHBondContact O-N 3.47Å
398	K	96.6	Very high	97	Very high	167 Å²	167	65.7 Å²	65.7	73%	0.726	34%	0.341	S	S	*	.	H	α-helix	trans	-88.3	-33.1	-177.1	-71.5	176.9	-179.1	-176.4	0	114	G394 L395	G394-K398 WeakPolarHBondContact O-CG 3.47Å; G394-K398 PolarHBondContact O-N 3.48Å; L395-K398 PolarHBondContact O-N 2.62Å
399	K	97.2	Very high	96.9	Very high	50 Å²	50	63.2 Å²	63.2	22%	0.217	33%	0.334	C	S	.	.	H	α-helix	trans	-126.8	-1.8	-170.3	-70.4	-68	-178.1	-179.4	0	113.2	W49 E61 D62 L64 Y65 V387 L395	W49-K399 WeakPolarHBondContact CH2-O 3.43Å; W49-K399 WeakPolarHBondContact CZ3-O 3.47Å; E61-K399 PolarHBondContact O-NZ 2.71Å; D62-K399 IonicContact OD1-NZ 2.81Å; L64-K399 WeakPolarHBondContact O-CE 3.33Å; L64-K399 PolarHBondContact O-NZ 2.63Å; Y65-K399 HydrophobicContact CD1-CG 4.45Å; V387-K399 HydrophobicContact CG1-CB 4.25Å; L395-K399 HydrophobicContact CD1-CB 4.49Å; L395-K399 HydrophobicContact CD1-CG 4.11Å; L395-K399 PolarHBondContact O-N 3.08Å
400	G	96.4	Very high	96.8	Very high	19 Å²	19	66.1 Å²	66.1	20%	0.196	35%	0.351	C	S	.	.	S	Bend	trans	-69.9	-179.8	172.4	0	0	0	0	0	112.3	A396 F402	A396-G400 WeakPolarHBondContact O-CA 3.32Å; A396-G400 PolarHBondContact O-N 2.97Å; G400-F402 VanDerWaalsContact C-N 3.34Å
401	K	96.5	Very high	96.8	Very high	43 Å²	43	71.3 Å²	71.3	19%	0.187	38%	0.379	C	S	.	.			trans	-94.5	17.6	-179.5	-60.7	-65	-175	84.5	0	113	W49 E52 K380 D383 T384	W49-K401 HydrophobicContact CH2-CD 4.34Å; W49-K401 HydrophobicContact CH2-CG 4.39Å; W49-K401 HydrophobicContact CZ2-CD 4.42Å; W49-K401 HydrophobicContact CZ2-CG 4.23Å; W49-K401 HydrophobicContact CZ3-CD 4.4Å; E52-K401 IonicContact OE1-NZ 2.79Å; E52-K401 PolarHBondContact OE1-NZ 3.29Å; E52-K401 IonicContact OE2-NZ 2.74Å; E52-K401 PolarHBondContact OE2-NZ 3.41Å; K380-K401 HydrophobicContact CB-CB 3.76Å; K380-K401 HydrophobicContact CD-CB 4.37Å; K380-K401 HydrophobicContact CG-CB 3.84Å; D383-K401 HydrophobicContact CB-CG 3.83Å; D383-K401 IonicContact OD2-NZ 3.74Å; T384-K401 PolarHBondContact OG1-N 2.87Å
402	F	95.4	Very high	96.9	Very high	154 Å²	154	75.3 Å²	75.3	68%	0.675	39%	0.388	S	S	*	.			trans	-128.9	0	-176.5	-71.5	-68.8	0	0	0	113.1	F377 K380 V381 T384 G400	F377-F402 HydrophobicContact CD2-CE1 4.19Å; F377-F402 HydrophobicContact CD2-CZ 4.28Å; F377-F402 AromaticContact CE2-CE1 3.76Å; F377-F402 HydrophobicContact CE2-CE1 3.76Å; F377-F402 AromaticContact CE2-CZ 3.87Å; F377-F402 HydrophobicContact CE2-CZ 3.87Å; F377-F402 HydrophobicContact CZ-CZ 4.38Å; K380-F402 HydrophobicContact CB-CE1 4.25Å; K380-F402 HydrophobicContact CB-CE2 3.97Å; K380-F402 HydrophobicContact CB-CZ 3.69Å; V381-F402 HydrophobicContact CB-CE2 4.49Å; V381-F402 HydrophobicContact CG2-CE2 3.9Å; V381-F402 HydrophobicContact CG2-CZ 3.72Å; T384-F402 HydrophobicContact CG2-CD2 4.16Å; T384-F402 WeakPolarHBondContact OG1-CD2 3.1Å; G400-F402 VanDerWaalsContact C-N 3.34Å

Retrieved 402 of 402 residues in 120.8 ms (Link to these results)

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