A0A087XLA3_POEFO Loading...

Cytosolic non-specific dipeptidase

Catalyzes the peptide bond hydrolysis in dipeptides, displaying a non-redundant activity toward threonyl dipeptides. Mediates threonyl dipeptide catabolism in a tissue-specific way. Has high dipeptidase activity toward cysteinylglycine, an intermediate metabolite in glutathione metabolism. Metabolizes N-lactoyl-amino acids, both through hydrolysis to form lactic acid and amino acids, as well as through their formation by reverse proteolysis. Plays a role in the regulation of cell cycle arrest and apoptosis.

AlphaFold DB , UniProt , Accession A0A087XLA3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 474 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	62.3	Low	92.9	Very high	133 Å²	133	54.9 Å²	54.9	66%	0.655	32%	0.316	S	S	*	.				0	-23	0	-73.4	-168.1	-165.7	0	0	116.1	H3 L4 P5 H468	M1-H3 PolarHBondContact O-N 2.81Å; M1-L4 HydrophobicContact CG-CD1 4.42Å; M1-L4 PolarHBondContact O-N 3.11Å; M1-P5 WeakPolarHBondContact O-CD 3.34Å; M1-H468 PolarHBondContact N-NE2 2.97Å
2	A	81.3	Confident	93.3	Very high	104 Å²	104	55.8 Å²	55.8	86%	0.86	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-27.6	-171.3	0	0	0	0	0	115.1
3	H	91.6	Very high	93.8	Very high	26 Å²	26	61.2 Å²	61.2	12%	0.12	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-21.3	179.8	65.2	-75.8	0	0	0	114.9	M1 A6 L7 Y147 Q152 H468	M1-H3 PolarHBondContact O-N 2.81Å; H3-A6 PolarHBondContact O-N 2.92Å; H3-A6 VanDerWaalsContact O-N 3.13Å; H3-L7 PolarHBondContact O-N 3.15Å; H3-Y147 AromaticContact CD2-CE1 3.41Å; H3-Y147 VanDerWaalsContact CD2-CE1 3.41Å; H3-Y147 WeakPolarHBondContact CD2-CE1 3.29Å; H3-Y147 AromaticContact CD2-CZ 3.98Å; H3-Y147 AromaticContact NE2-CE1 3.52Å; H3-Y147 AromaticContact NE2-CZ 3.81Å; H3-Y147 PolarHBondContact NE2-OH 3.14Å; H3-Q152 HydrophobicContact CB-CG 3.97Å; H3-H468 AromaticContact CE1-CE1 3.79Å; H3-H468 AromaticContact CE1-CG 3.66Å; H3-H468 AromaticContact CE1-ND1 3.44Å; H3-H468 PolarHBondContact CE1-ND1 2.85Å; H3-H468 AromaticContact NE2-CG 3.95Å
4	L	96.4	Very high	94.1	Very high	4 Å²	4	59.4 Å²	59.4	2%	0.021	33%	0.329	C	S	.	.	H	α-helix	trans	-61.5	-40.1	-176.7	-67.9	-178.2	0	0	0	113.3	M1 A6 L7 F8 T403 A465 H468	M1-L4 HydrophobicContact CG-CD1 4.42Å; M1-L4 PolarHBondContact O-N 3.11Å; L4-A6 VanDerWaalsContact C-N 3.29Å; L4-A6 PolarHBondContact O-N 3.36Å; L4-L7 PolarHBondContact O-N 3.03Å; L4-F8 HydrophobicContact CB-CE1 4.44Å; L4-F8 HydrophobicContact CB-CE2 4.47Å; L4-F8 HydrophobicContact CB-CZ 4.24Å; L4-F8 HydrophobicContact CD2-CE1 4.35Å; L4-F8 WeakPolarHBondContact O-CB 3.35Å; L4-F8 WeakPolarHBondContact O-CD1 3.39Å; L4-F8 VanDerWaalsContact O-CG 3.22Å; L4-F8 WeakPolarHBondContact O-CG 3.32Å; L4-F8 PolarHBondContact O-N 3.27Å; L4-T403 HydrophobicContact CD1-CG2 4.2Å; L4-A465 HydrophobicContact CD1-CB 4.38Å; L4-A465 HydrophobicContact CD2-CB 4.4Å; L4-H468 HydrophobicContact CD2-CB 4.2Å
5	P	98.1	Very high	94.4	Very high	88 Å²	88	59.3 Å²	59.3	57%	0.571	33%	0.325	S	S	*	.	H	α-helix	trans	-58.7	-38.9	173.5	-26.9	35.8	0	0	0	113.5	M1 K9	M1-P5 WeakPolarHBondContact O-CD 3.34Å; P5-K9 VanDerWaalsContact O-CB 3.29Å; P5-K9 WeakPolarHBondContact O-CB 3.07Å; P5-K9 PolarHBondContact O-N 2.88Å
6	A	98.3	Very high	94.7	Very high	47 Å²	47	62.4 Å²	62.4	39%	0.388	34%	0.342	S	S	.	.	H	α-helix	trans	-69.4	-40.6	176.9	0	0	0	0	0	111.5	H3 L4 K9 Y10 I150	H3-A6 PolarHBondContact O-N 2.92Å; H3-A6 VanDerWaalsContact O-N 3.13Å; L4-A6 VanDerWaalsContact C-N 3.29Å; L4-A6 PolarHBondContact O-N 3.36Å; A6-K9 PolarHBondContact O-N 3.07Å; A6-Y10 PolarHBondContact O-N 3.15Å; A6-I150 HydrophobicContact CB-CD1 4.29Å
7	L	98.5	Very high	94.9	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-61	-49.9	174.7	-172.4	149.1	0	0	0	111.3	H3 L4 K9 Y10 V11 A146 Y147 I150	H3-L7 PolarHBondContact O-N 3.15Å; L4-L7 PolarHBondContact O-N 3.03Å; L7-K9 VanDerWaalsContact C-N 3.32Å; L7-K9 PolarHBondContact O-N 3.11Å; L7-Y10 PolarHBondContact O-N 3.39Å; L7-V11 HydrophobicContact CD2-CG2 4.09Å; L7-V11 WeakPolarHBondContact O-CG2 3.32Å; L7-V11 PolarHBondContact O-N 2.8Å; L7-A146 HydrophobicContact CG-CB 4.13Å; L7-Y147 HydrophobicContact CD1-CD1 4Å; L7-Y147 HydrophobicContact CD1-CD2 3.37Å; L7-Y147 HydrophobicContact CD1-CE1 3.86Å; L7-Y147 HydrophobicContact CD1-CE2 3.19Å; L7-Y147 HydrophobicContact CD1-CG 3.76Å; L7-Y147 VanDerWaalsContact CD1-CZ 3.43Å; L7-I150 HydrophobicContact CB-CD1 3.87Å
8	F	98.7	Very high	95.1	Very high	34 Å²	34	59.1 Å²	59.1	15%	0.149	32%	0.323	C	S	.	.	H	α-helix	trans	-62.7	-41.2	-179.4	-65.8	-6.2	0	0	0	111.6	L4 V11 D12 T403 V404 K461 A465	L4-F8 HydrophobicContact CB-CE1 4.44Å; L4-F8 HydrophobicContact CB-CE2 4.47Å; L4-F8 HydrophobicContact CB-CZ 4.24Å; L4-F8 HydrophobicContact CD2-CE1 4.35Å; L4-F8 WeakPolarHBondContact O-CB 3.35Å; L4-F8 WeakPolarHBondContact O-CD1 3.39Å; L4-F8 VanDerWaalsContact O-CG 3.22Å; L4-F8 WeakPolarHBondContact O-CG 3.32Å; L4-F8 PolarHBondContact O-N 3.27Å; F8-V11 PolarHBondContact O-N 3.01Å; F8-D12 PolarHBondContact O-N 3.1Å; F8-T403 HydrophobicContact CE2-CG2 4.07Å; F8-T403 HydrophobicContact CZ-CG2 4.07Å; F8-V404 HydrophobicContact CE1-CG2 4.3Å; F8-V404 HydrophobicContact CE2-CG2 4.28Å; F8-V404 HydrophobicContact CZ-CG2 3.72Å; F8-K461 HydrophobicContact CB-CD 3.93Å; F8-K461 HydrophobicContact CB-CG 4.38Å; F8-K461 HydrophobicContact CD1-CB 3.64Å; F8-K461 HydrophobicContact CD1-CD 3.91Å; F8-K461 HydrophobicContact CD1-CG 3.65Å; F8-K461 HydrophobicContact CD2-CD 4.44Å; F8-K461 HydrophobicContact CE1-CB 3.64Å; F8-K461 HydrophobicContact CE1-CG 4.19Å; F8-K461 WeakPolarHBondContact CE1-O 3.12Å; F8-K461 HydrophobicContact CG-CB 4.37Å; F8-K461 HydrophobicContact CG-CD 3.84Å; F8-K461 HydrophobicContact CG-CG 4.12Å; F8-K461 HydrophobicContact CZ-CB 4.34Å; F8-K461 WeakPolarHBondContact O-CE 3.28Å; F8-A465 HydrophobicContact CE1-CB 4.38Å; F8-A465 HydrophobicContact CZ-CB 4.16Å
9	K	98.7	Very high	95.3	Very high	128 Å²	128	57 Å²	57	56%	0.557	31%	0.312	S	S	*	.	H	α-helix	trans	-60.4	-45.7	174.1	-179.3	176.6	172.6	179.9	0	111.8	P5 A6 L7 V11 D12 E13	P5-K9 VanDerWaalsContact O-CB 3.29Å; P5-K9 WeakPolarHBondContact O-CB 3.07Å; P5-K9 PolarHBondContact O-N 2.88Å; A6-K9 PolarHBondContact O-N 3.07Å; L7-K9 VanDerWaalsContact C-N 3.32Å; L7-K9 PolarHBondContact O-N 3.11Å; K9-V11 VanDerWaalsContact C-N 3.32Å; K9-V11 PolarHBondContact O-N 2.93Å; K9-D12 PolarHBondContact O-N 3.32Å; K9-E13 WeakPolarHBondContact CE-OE1 3.33Å; K9-E13 IonicContact NZ-OE1 2.66Å; K9-E13 WeakPolarHBondContact O-CG 3.33Å; K9-E13 PolarHBondContact O-N 2.99Å
10	Y	98.8	Very high	95.5	Very high	40 Å²	40	60.9 Å²	60.9	16%	0.157	33%	0.325	C	S	.	.	H	α-helix	trans	-60.9	-42.8	177	-176.5	-94	0	0	0	111.6	A6 L7 D12 E13 N14 Y18 A146 K149 I150	A6-Y10 PolarHBondContact O-N 3.15Å; L7-Y10 PolarHBondContact O-N 3.39Å; Y10-D12 PolarHBondContact O-N 2.68Å; Y10-E13 PolarHBondContact O-N 2.81Å; Y10-N14 HydrophobicContact CE1-CB 4.44Å; Y10-N14 VanDerWaalsContact CE2-ND2 3.27Å; Y10-N14 WeakPolarHBondContact CE2-ND2 3.25Å; Y10-N14 VanDerWaalsContact CZ-ND2 3.34Å; Y10-N14 PolarHBondContact O-N 2.79Å; Y10-N14 VanDerWaalsContact O-N 3.14Å; Y10-N14 PolarHBondContact O-ND2 3.17Å; Y10-Y18 WeakPolarHBondContact CE1-OH 3.27Å; Y10-A146 HydrophobicContact CD1-CB 3.62Å; Y10-A146 HydrophobicContact CE1-CB 4.19Å; Y10-K149 HydrophobicContact CD1-CB 4.4Å; Y10-K149 HydrophobicContact CD2-CB 4.17Å; Y10-K149 HydrophobicContact CE1-CB 3.84Å; Y10-K149 HydrophobicContact CE1-CG 4.02Å; Y10-K149 HydrophobicContact CE2-CB 3.61Å; Y10-K149 HydrophobicContact CE2-CG 4.19Å; Y10-K149 VanDerWaalsContact CZ-CB 3.44Å; Y10-K149 WeakPolarHBondContact OH-CG 3.42Å; Y10-I150 HydrophobicContact CD2-CG2 4.5Å; Y10-I150 HydrophobicContact CG-CG2 4.21Å
11	V	98.8	Very high	95.6	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-60.7	-44.1	177	168.7	0	0	0	0	111.5	L7 F8 K9 E13 N14 Q15 Y18 A146 I457 V460 K461	L7-V11 HydrophobicContact CD2-CG2 4.09Å; L7-V11 WeakPolarHBondContact O-CG2 3.32Å; L7-V11 PolarHBondContact O-N 2.8Å; F8-V11 PolarHBondContact O-N 3.01Å; K9-V11 VanDerWaalsContact C-N 3.32Å; K9-V11 PolarHBondContact O-N 2.93Å; V11-E13 VanDerWaalsContact C-N 3.34Å; V11-E13 PolarHBondContact O-N 3.29Å; V11-N14 PolarHBondContact O-N 2.87Å; V11-Q15 PolarHBondContact O-N 2.66Å; V11-Y18 HydrophobicContact CB-CE2 4.38Å; V11-Y18 HydrophobicContact CG1-CE2 4.08Å; V11-Y18 HydrophobicContact CG2-CE2 4.46Å; V11-A146 HydrophobicContact CG2-CB 3.96Å; V11-I457 HydrophobicContact CG1-CG2 3.81Å; V11-V460 HydrophobicContact CB-CG1 4.45Å; V11-V460 HydrophobicContact CG1-CB 3.99Å; V11-V460 HydrophobicContact CG1-CG1 3.91Å; V11-V460 HydrophobicContact CG2-CG1 3.62Å; V11-K461 HydrophobicContact CB-CG 4.1Å; V11-K461 HydrophobicContact CG1-CG 3.77Å; V11-K461 HydrophobicContact CG2-CG 4.44Å
12	D	98.8	Very high	97.4	Very high	65 Å²	65	53 Å²	53	35%	0.348	28%	0.284	S	S	.	.	H	α-helix	trans	-63.2	-38.6	177.4	-73.2	-33.7	0	0	0	112.9	F8 K9 Y10 N14 Q15 K461	F8-D12 PolarHBondContact O-N 3.1Å; K9-D12 PolarHBondContact O-N 3.32Å; Y10-D12 PolarHBondContact O-N 2.68Å; D12-N14 VanDerWaalsContact C-N 3.29Å; D12-N14 PolarHBondContact O-N 3.23Å; D12-Q15 WeakPolarHBondContact O-CG 3.48Å; D12-Q15 PolarHBondContact O-NE2 2.82Å; D12-K461 WeakPolarHBondContact OD1-CE 3.44Å; D12-K461 IonicContact OD1-NZ 3.54Å; D12-K461 PolarHBondContact OD1-NZ 3.3Å; D12-K461 IonicContact OD2-NZ 3.98Å; D12-K461 PolarHBondContact OD2-NZ 3.13Å
13	E	98.8	Very high	98.2	Very high	127 Å²	127	49 Å²	49	59%	0.593	25%	0.253	S	S	*	.	H	α-helix	trans	-72.3	-20.4	179.3	-71.9	172.4	171.4	0	0	113.1	K9 Y10 V11	K9-E13 WeakPolarHBondContact CE-OE1 3.33Å; K9-E13 IonicContact NZ-OE1 2.66Å; K9-E13 WeakPolarHBondContact O-CG 3.33Å; K9-E13 PolarHBondContact O-N 2.99Å; Y10-E13 PolarHBondContact O-N 2.81Å; V11-E13 VanDerWaalsContact C-N 3.34Å; V11-E13 PolarHBondContact O-N 3.29Å
14	N	98.8	Very high	98.6	Very high	35 Å²	35	52.3 Å²	52.3	19%	0.187	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.7	9.2	-174.4	-68.4	-93.1	0	0	0	113.8	Y10 V11 D12 D16 L17 Y18	Y10-N14 HydrophobicContact CE1-CB 4.44Å; Y10-N14 VanDerWaalsContact CE2-ND2 3.27Å; Y10-N14 WeakPolarHBondContact CE2-ND2 3.25Å; Y10-N14 VanDerWaalsContact CZ-ND2 3.34Å; Y10-N14 PolarHBondContact O-N 2.79Å; Y10-N14 VanDerWaalsContact O-N 3.14Å; Y10-N14 PolarHBondContact O-ND2 3.17Å; V11-N14 PolarHBondContact O-N 2.87Å; D12-N14 VanDerWaalsContact C-N 3.29Å; D12-N14 PolarHBondContact O-N 3.23Å; N14-D16 VanDerWaalsContact C-N 3.3Å; N14-D16 PolarHBondContact O-N 2.78Å; N14-L17 WeakPolarHBondContact O-CB 3.45Å; N14-L17 PolarHBondContact O-N 2.98Å; N14-Y18 HydrophobicContact CB-CE1 4.16Å; N14-Y18 HydrophobicContact CB-CE2 4.12Å; N14-Y18 PolarHBondContact O-N 2.93Å
15	Q	98.6	Very high	98.7	Very high	58 Å²	58	52.4 Å²	52.4	27%	0.271	27%	0.268	S	S	.	.	H	α-helix	trans	-55	-38.2	-177.6	58.7	-179.7	-56.9	0	0	114.5	V11 D12 L17 Y18 V19 I457	V11-Q15 PolarHBondContact O-N 2.66Å; D12-Q15 WeakPolarHBondContact O-CG 3.48Å; D12-Q15 PolarHBondContact O-NE2 2.82Å; Q15-L17 VanDerWaalsContact C-N 3.3Å; Q15-L17 PolarHBondContact O-N 3.18Å; Q15-Y18 WeakPolarHBondContact O-CB 3.2Å; Q15-Y18 PolarHBondContact O-N 3.38Å; Q15-Y18 VanDerWaalsContact O-N 3.14Å; Q15-V19 WeakPolarHBondContact O-CG2 3.39Å; Q15-V19 PolarHBondContact O-N 3.16Å; Q15-I457 HydrophobicContact CB-CD1 3.42Å; Q15-I457 VanDerWaalsContact CB-CD1 3.42Å; Q15-I457 HydrophobicContact CB-CG1 3.74Å; Q15-I457 HydrophobicContact CB-CG2 4.27Å
16	D	98.8	Very high	98.7	Very high	110 Å²	110	48.2 Å²	48.2	59%	0.588	24%	0.241	S	C	*	.	H	α-helix	trans	-66.2	-34.8	179.2	-69	-28.5	0	0	0	111.8	N14 Y18 V19 K20 R453	N14-D16 VanDerWaalsContact C-N 3.3Å; N14-D16 PolarHBondContact O-N 2.78Å; D16-Y18 VanDerWaalsContact C-N 3.34Å; D16-V19 PolarHBondContact O-N 2.97Å; D16-K20 WeakPolarHBondContact O-CB 3.4Å; D16-K20 PolarHBondContact O-N 3.45Å; D16-R453 IonicContact OD1-CZ 3.32Å; D16-R453 IonicContact OD1-NH1 3.93Å; D16-R453 IonicContact OD1-NH2 3.55Å; D16-R453 PolarHBondContact OD1-NH2 3.02Å
17	L	98.6	Very high	98.8	Very high	65 Å²	65	48.5 Å²	48.5	34%	0.34	24%	0.243	S	C	.	.	H	α-helix	trans	-64.5	-42	173.2	173.5	64.1	0	0	0	110.6	N14 Q15 K20 R21	N14-L17 WeakPolarHBondContact O-CB 3.45Å; N14-L17 PolarHBondContact O-N 2.98Å; Q15-L17 VanDerWaalsContact C-N 3.3Å; Q15-L17 PolarHBondContact O-N 3.18Å; L17-K20 PolarHBondContact O-N 3.24Å; L17-R21 WeakPolarHBondContact O-CG 3.3Å; L17-R21 PolarHBondContact O-N 3.13Å
18	Y	98.8	Very high	98.8	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-65.9	-39.9	179	-56.4	-27.4	0	0	0	112.1	Y10 V11 N14 Q15 D16 R21 L22 N142 Y456 I457 V460	Y10-Y18 WeakPolarHBondContact CE1-OH 3.27Å; V11-Y18 HydrophobicContact CB-CE2 4.38Å; V11-Y18 HydrophobicContact CG1-CE2 4.08Å; V11-Y18 HydrophobicContact CG2-CE2 4.46Å; N14-Y18 HydrophobicContact CB-CE1 4.16Å; N14-Y18 HydrophobicContact CB-CE2 4.12Å; N14-Y18 PolarHBondContact O-N 2.93Å; Q15-Y18 WeakPolarHBondContact O-CB 3.2Å; Q15-Y18 PolarHBondContact O-N 3.38Å; Q15-Y18 VanDerWaalsContact O-N 3.14Å; D16-Y18 VanDerWaalsContact C-N 3.34Å; Y18-R21 PolarHBondContact O-N 3.27Å; Y18-L22 PolarHBondContact O-N 2.58Å; Y18-N142 HydrophobicContact CD1-CB 3.9Å; Y18-N142 VanDerWaalsContact CD1-OD1 3.23Å; Y18-N142 WeakPolarHBondContact CD1-OD1 3.36Å; Y18-N142 HydrophobicContact CD2-CB 4.4Å; Y18-N142 HydrophobicContact CE1-CB 3.77Å; Y18-N142 HydrophobicContact CE2-CB 4.29Å; Y18-N142 HydrophobicContact CG-CB 4.22Å; Y18-Y456 WeakPolarHBondContact O-CE1 3.28Å; Y18-Y456 PolarHBondContact O-OH 2.94Å; Y18-Y456 VanDerWaalsContact O-OH 3.08Å; Y18-I457 HydrophobicContact CD2-CD1 4.02Å; Y18-V460 HydrophobicContact CE2-CG1 4.47Å
19	V	98.9	Very high	98.8	Very high	19 Å²	19	49.8 Å²	49.8	12%	0.115	25%	0.25	C	S	.	.	H	α-helix	trans	-63.9	-43	174.1	173.9	0	0	0	0	110.7	Q15 D16 R21 L22 G23 L118 L125 R453 Y456	Q15-V19 WeakPolarHBondContact O-CG2 3.39Å; Q15-V19 PolarHBondContact O-N 3.16Å; D16-V19 PolarHBondContact O-N 2.97Å; V19-R21 PolarHBondContact O-N 3.12Å; V19-L22 PolarHBondContact O-N 3.12Å; V19-G23 PolarHBondContact O-N 3.35Å; V19-L118 HydrophobicContact CG1-CD2 4.27Å; V19-L125 HydrophobicContact CG1-CD1 4.38Å; V19-L125 HydrophobicContact CG1-CD2 3.75Å; V19-L125 HydrophobicContact CG2-CD1 3.95Å; V19-L125 HydrophobicContact CG2-CD2 4.22Å; V19-R453 HydrophobicContact CG2-CG 4.48Å; V19-Y456 HydrophobicContact CG2-CD1 4.5Å
20	K	98.8	Very high	98.8	Very high	134 Å²	134	43.7 Å²	43.7	58%	0.583	22%	0.224	S	C	*	.	H	α-helix	trans	-59.8	-45.9	175.7	-174.9	-174.4	174	-165.9	0	112	D16 L17 L22 G23 E24	D16-K20 WeakPolarHBondContact O-CB 3.4Å; D16-K20 PolarHBondContact O-N 3.45Å; L17-K20 PolarHBondContact O-N 3.24Å; K20-L22 VanDerWaalsContact C-N 3.32Å; K20-L22 PolarHBondContact O-N 3.31Å; K20-G23 PolarHBondContact O-N 3.35Å; K20-G23 VanDerWaalsContact O-N 3.11Å; K20-E24 VanDerWaalsContact CE-OE1 3.28Å; K20-E24 WeakPolarHBondContact CE-OE1 3.25Å; K20-E24 IonicContact NZ-OE1 3.47Å; K20-E24 WeakPolarHBondContact O-CG 3.37Å; K20-E24 PolarHBondContact O-N 3.43Å
21	R	98.6	Very high	98.8	Very high	29 Å²	29	41.8 Å²	41.8	11%	0.109	22%	0.216	C	C	.	.	H	α-helix	trans	-59.3	-42.3	176	-74.5	176.6	179.6	166.1	-0.7	112	L17 Y18 V19 G23 E24 W25 L138 N142 E145	L17-R21 WeakPolarHBondContact O-CG 3.3Å; L17-R21 PolarHBondContact O-N 3.13Å; Y18-R21 PolarHBondContact O-N 3.27Å; V19-R21 PolarHBondContact O-N 3.12Å; R21-G23 VanDerWaalsContact C-N 3.3Å; R21-G23 PolarHBondContact O-N 3.3Å; R21-E24 WeakPolarHBondContact O-CB 3.23Å; R21-E24 PolarHBondContact O-N 3.38Å; R21-W25 PolarHBondContact O-N 2.91Å; R21-L138 HydrophobicContact CB-CD1 4.46Å; R21-L138 HydrophobicContact CB-CD2 4.44Å; R21-N142 PolarHBondContact NH1-OD1 3.34Å; R21-E145 IonicContact CZ-OE1 3.55Å; R21-E145 IonicContact CZ-OE2 3.93Å; R21-E145 IonicContact NH1-OE1 2.77Å; R21-E145 IonicContact NH1-OE2 2.64Å; R21-E145 PolarHBondContact NH1-OE2 3.06Å; R21-E145 IonicContact NH2-OE1 2.86Å; R21-E145 PolarHBondContact NH2-OE1 3.35Å; R21-E145 IonicContact NH2-OE2 3.45Å; R21-E145 PolarHBondContact NH2-OE2 2.88Å; R21-E145 VanDerWaalsContact NH2-OE2 3.1Å
22	L	98.9	Very high	98.7	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-60.9	-41.2	174.7	-178.5	57.7	0	0	0	111.3	Y18 V19 K20 E24 W25 V26 L118 L125 K134 L138 Y456	Y18-L22 PolarHBondContact O-N 2.58Å; V19-L22 PolarHBondContact O-N 3.12Å; K20-L22 VanDerWaalsContact C-N 3.32Å; K20-L22 PolarHBondContact O-N 3.31Å; L22-E24 VanDerWaalsContact C-N 3.33Å; L22-E24 PolarHBondContact O-N 2.95Å; L22-W25 PolarHBondContact O-N 3.48Å; L22-V26 HydrophobicContact CD1-CG2 4.03Å; L22-V26 HydrophobicContact CG-CG2 4.31Å; L22-V26 WeakPolarHBondContact O-CB 3.32Å; L22-V26 WeakPolarHBondContact O-CG2 3.47Å; L22-V26 PolarHBondContact O-N 3.07Å; L22-L118 HydrophobicContact CB-CD2 4.22Å; L22-L118 HydrophobicContact CD2-CD1 4.47Å; L22-L118 HydrophobicContact CD2-CD2 4.26Å; L22-L118 HydrophobicContact CG-CD1 4.4Å; L22-L118 HydrophobicContact CG-CD2 4.03Å; L22-L125 HydrophobicContact CD2-CD1 4Å; L22-K134 HydrophobicContact CD1-CB 4.1Å; L22-L138 VanDerWaalsContact CA-CD1 3.47Å; L22-L138 HydrophobicContact CB-CD1 4.03Å; L22-L138 HydrophobicContact CD1-CD1 3.94Å; L22-Y456 HydrophobicContact CB-CE1 4.19Å; L22-Y456 HydrophobicContact CD2-CD1 4.32Å; L22-Y456 HydrophobicContact CD2-CE1 4.15Å
23	G	98.9	Very high	98.6	Very high	20 Å²	20	41.4 Å²	41.4	21%	0.206	22%	0.221	C	C	.	.	H	α-helix	trans	-60.6	-40.5	174.5	0	0	0	0	0	113.3	V19 K20 R21 A27	V19-G23 PolarHBondContact O-N 3.35Å; K20-G23 PolarHBondContact O-N 3.35Å; K20-G23 VanDerWaalsContact O-N 3.11Å; R21-G23 VanDerWaalsContact C-N 3.3Å; R21-G23 PolarHBondContact O-N 3.3Å; G23-A27 WeakPolarHBondContact O-CB 3.5Å; G23-A27 PolarHBondContact O-N 2.92Å
24	E	98.8	Very high	98.5	Very high	96 Å²	96	37.6 Å²	37.6	45%	0.449	20%	0.202	S	C	.	.	H	α-helix	trans	-64	-39.8	175.4	-68.3	168.9	-176.3	0	0	112	K20 R21 L22	K20-E24 VanDerWaalsContact CE-OE1 3.28Å; K20-E24 WeakPolarHBondContact CE-OE1 3.25Å; K20-E24 IonicContact NZ-OE1 3.47Å; K20-E24 WeakPolarHBondContact O-CG 3.37Å; K20-E24 PolarHBondContact O-N 3.43Å; R21-E24 WeakPolarHBondContact O-CB 3.23Å; R21-E24 PolarHBondContact O-N 3.38Å; L22-E24 VanDerWaalsContact C-N 3.33Å; L22-E24 PolarHBondContact O-N 2.95Å
25	W	98.9	Very high	98.4	Very high	6 Å²	6	38.6 Å²	38.6	2%	0.023	21%	0.21	C	C	.	.	H	α-helix	trans	-71	-43.9	176.3	-82.4	41.1	0	0	0	112.6	R21 L22 A27 V28 M44 A48 D51 L100 K134 V137 L138 F141	R21-W25 PolarHBondContact O-N 2.91Å; L22-W25 PolarHBondContact O-N 3.48Å; W25-A27 PolarHBondContact O-N 3.46Å; W25-V28 WeakPolarHBondContact O-CB 3.45Å; W25-V28 PolarHBondContact O-N 3.45Å; W25-V28 VanDerWaalsContact O-N 3.13Å; W25-M44 HydrophobicContact CB-CE 4.23Å; W25-M44 HydrophobicContact CB-SD 4.35Å; W25-M44 HydrophobicContact CD2-CE 3.24Å; W25-M44 HydrophobicContact CD2-SD 4.32Å; W25-M44 VanDerWaalsContact CE2-CE 3.44Å; W25-M44 HydrophobicContact CE3-CE 3.59Å; W25-M44 HydrophobicContact CE3-SD 4.47Å; W25-M44 HydrophobicContact CG-CE 3.55Å; W25-M44 HydrophobicContact CG-SD 4.29Å; W25-M44 HydrophobicContact CH2-CE 4.26Å; W25-M44 HydrophobicContact CZ2-CE 3.95Å; W25-M44 HydrophobicContact CZ3-CE 4.11Å; W25-A48 HydrophobicContact CH2-CB 3.97Å; W25-A48 HydrophobicContact CZ2-CB 4.17Å; W25-D51 VanDerWaalsContact CZ2-OD2 3.29Å; W25-D51 WeakPolarHBondContact CZ2-OD2 3.49Å; W25-L100 HydrophobicContact CE3-CD2 4.02Å; W25-L100 HydrophobicContact CH2-CD2 3.91Å; W25-L100 HydrophobicContact CZ3-CD2 3.3Å; W25-K134 HydrophobicContact CB-CB 4.42Å; W25-K134 HydrophobicContact CB-CD 4.24Å; W25-K134 HydrophobicContact CE3-CB 3.92Å; W25-K134 HydrophobicContact CE3-CG 4.2Å; W25-K134 WeakPolarHBondContact O-CE 3.36Å; W25-K134 PolarHBondContact O-NZ 2.75Å; W25-V137 HydrophobicContact CH2-CG1 3.77Å; W25-V137 HydrophobicContact CZ3-CB 4.04Å; W25-V137 HydrophobicContact CZ3-CG1 3.68Å; W25-L138 HydrophobicContact CB-CD1 3.99Å; W25-L138 HydrophobicContact CD2-CD1 3.61Å; W25-L138 HydrophobicContact CD2-CD2 3.84Å; W25-L138 HydrophobicContact CD2-CG 3.57Å; W25-L138 VanDerWaalsContact CE2-CD2 3.46Å; W25-L138 HydrophobicContact CE3-CD1 3.89Å; W25-L138 HydrophobicContact CE3-CD2 4.28Å; W25-L138 HydrophobicContact CE3-CG 3.62Å; W25-L138 HydrophobicContact CG-CD1 3.65Å; W25-L138 HydrophobicContact CG-CD2 4.37Å; W25-L138 HydrophobicContact CG-CG 4.15Å; W25-L138 HydrophobicContact CH2-CD2 4.08Å; W25-L138 HydrophobicContact CH2-CG 4.04Å; W25-L138 HydrophobicContact CZ2-CD2 3.62Å; W25-L138 HydrophobicContact CZ2-CG 4.01Å; W25-L138 HydrophobicContact CZ3-CD2 4.37Å; W25-L138 HydrophobicContact CZ3-CG 3.83Å; W25-F141 AromaticContact CH2-CD2 3.91Å; W25-F141 HydrophobicContact CH2-CD2 3.91Å; W25-F141 AromaticContact CH2-CE2 3.51Å; W25-F141 HydrophobicContact CH2-CE2 3.51Å; W25-F141 AromaticContact CZ2-CD2 3.94Å; W25-F141 HydrophobicContact CZ2-CD2 3.94Å; W25-F141 AromaticContact CZ2-CE2 3.7Å; W25-F141 HydrophobicContact CZ2-CE2 3.7Å
26	V	98.9	Very high	98.4	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-61.3	-34.4	177.1	164.4	0	0	0	0	111.5	L22 V28 L118 K134	L22-V26 HydrophobicContact CD1-CG2 4.03Å; L22-V26 HydrophobicContact CG-CG2 4.31Å; L22-V26 WeakPolarHBondContact O-CB 3.32Å; L22-V26 WeakPolarHBondContact O-CG2 3.47Å; L22-V26 PolarHBondContact O-N 3.07Å; V26-V28 PolarHBondContact O-N 3.42Å; V26-L118 HydrophobicContact CB-CB 4.37Å; V26-L118 HydrophobicContact CB-CD1 4.47Å; V26-L118 HydrophobicContact CG1-CB 4.29Å; V26-L118 HydrophobicContact CG1-CD1 4.46Å; V26-L118 HydrophobicContact CG2-CD1 4.03Å; V26-K134 HydrophobicContact CG2-CD 4.38Å
27	A	98.8	Very high	98.3	Very high	52 Å²	52	39.7 Å²	39.7	43%	0.43	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-19	176.8	0	0	0	0	0	114.6	G23 W25 Q29 F116	G23-A27 WeakPolarHBondContact O-CB 3.5Å; G23-A27 PolarHBondContact O-N 2.92Å; W25-A27 PolarHBondContact O-N 3.46Å; A27-Q29 PolarHBondContact O-N 2.98Å; A27-F116 VanDerWaalsContact CA-O 3.32Å; A27-F116 WeakPolarHBondContact CA-O 3.4Å
28	V	98.8	Very high	98.3	Very high	4 Å²	4	37.5 Å²	37.5	2%	0.024	20%	0.198	C	C	.	.	S	Bend	trans	-80.8	112	173.4	-175.4	0	0	0	0	109	W25 V26 S30 E40 K43 M44 M47 K134	W25-V28 WeakPolarHBondContact O-CB 3.45Å; W25-V28 PolarHBondContact O-N 3.45Å; W25-V28 VanDerWaalsContact O-N 3.13Å; V26-V28 PolarHBondContact O-N 3.42Å; V28-S30 PolarHBondContact O-N 3.38Å; V28-S30 PolarHBondContact O-OG 3.03Å; V28-E40 HydrophobicContact CG1-CB 4.13Å; V28-E40 WeakPolarHBondContact CG1-O 3.43Å; V28-K43 HydrophobicContact CG1-CD 4.39Å; V28-M44 HydrophobicContact CB-SD 3.84Å; V28-M44 HydrophobicContact CG1-CB 3.97Å; V28-M44 HydrophobicContact CG1-SD 4.13Å; V28-M44 HydrophobicContact CG2-SD 4.08Å; V28-M47 HydrophobicContact CG2-CE 4.13Å; V28-M47 HydrophobicContact CG2-SD 3.71Å; V28-K134 PolarHBondContact O-NZ 2.64Å
29	Q	98.7	Very high	98.3	Very high	58 Å²	58	40 Å²	40	27%	0.271	22%	0.224	S	C	.	.			trans	-79	64.1	-176.9	-57.4	-172	-1.6	0	0	111.3	A27 V31 K37 E40 F116	A27-Q29 PolarHBondContact O-N 2.98Å; Q29-V31 PolarHBondContact O-N 3.08Å; Q29-K37 HydrophobicContact CB-CD 4.21Å; Q29-K37 WeakPolarHBondContact O-CB 3.45Å; Q29-E40 WeakPolarHBondContact O-CB 3.42Å; Q29-F116 HydrophobicContact CB-CD1 4.29Å; Q29-F116 HydrophobicContact CB-CE1 4.25Å; Q29-F116 HydrophobicContact CB-CG 4.49Å; Q29-F116 HydrophobicContact CB-CZ 4.43Å; Q29-F116 HydrophobicContact CG-CB 3.96Å; Q29-F116 HydrophobicContact CG-CD1 3.79Å; Q29-F116 HydrophobicContact CG-CD2 3.8Å; Q29-F116 HydrophobicContact CG-CE1 4.19Å; Q29-F116 HydrophobicContact CG-CE2 4.2Å; Q29-F116 HydrophobicContact CG-CG 3.58Å; Q29-F116 HydrophobicContact CG-CZ 4.39Å
30	S	98.8	Very high	98.3	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.231	C	C	.	.			trans	-74.7	52.6	-178.9	47.5	0	0	0	0	112.5	V28 S32 L100 D101 V102 K134	V28-S30 PolarHBondContact O-N 3.38Å; V28-S30 PolarHBondContact O-OG 3.03Å; S30-S32 PolarHBondContact O-N 3.47Å; S30-L100 VanDerWaalsContact CB-O 3.27Å; S30-L100 WeakPolarHBondContact CB-O 3.47Å; S30-L100 PolarHBondContact OG-O 3.24Å; S30-D101 CarbonylContact O-C 3.51Å; S30-D101 WeakPolarHBondContact O-CA 3.34Å; S30-D101 VanDerWaalsContact O-CB 3.31Å; S30-D101 WeakPolarHBondContact O-CB 3.27Å; S30-V102 PolarHBondContact O-N 3.35Å; S30-K134 VanDerWaalsContact OG-CE 3.3Å; S30-K134 WeakPolarHBondContact OG-CE 3.42Å; S30-K134 PolarHBondContact OG-NZ 2.95Å
31	V	98.8	Very high	98.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-82.2	109.8	-177	-177.2	0	0	0	0	110.8	Q29 A33 W34 K37 V102 P104 F116	Q29-V31 PolarHBondContact O-N 3.08Å; V31-A33 VanDerWaalsContact C-N 3.34Å; V31-A33 HydrophobicContact CG1-CB 4.4Å; V31-A33 PolarHBondContact O-N 3.44Å; V31-W34 HydrophobicContact CB-CB 4.2Å; V31-W34 HydrophobicContact CB-CD2 4.06Å; V31-W34 HydrophobicContact CB-CE3 3.87Å; V31-W34 HydrophobicContact CB-CG 4.22Å; V31-W34 HydrophobicContact CG1-CB 3.96Å; V31-W34 HydrophobicContact CG1-CD2 3.64Å; V31-W34 HydrophobicContact CG1-CE3 3.94Å; V31-W34 HydrophobicContact CG1-CG 3.64Å; V31-W34 HydrophobicContact CG2-CD2 4.41Å; V31-W34 HydrophobicContact CG2-CE3 3.85Å; V31-W34 HydrophobicContact CG2-CZ3 4.04Å; V31-W34 PolarHBondContact O-N 3.21Å; V31-K37 HydrophobicContact CB-CB 4.4Å; V31-K37 HydrophobicContact CB-CG 4.38Å; V31-V102 WeakPolarHBondContact CA-O 3.35Å; V31-V102 HydrophobicContact CG2-CG2 4.08Å; V31-P104 HydrophobicContact CG1-CB 4.24Å; V31-P104 HydrophobicContact CG1-CG 3.73Å; V31-F116 HydrophobicContact CG2-CE1 4.14Å; V31-F116 HydrophobicContact CG2-CZ 3.63Å
32	S	98.2	Very high	98.3	Very high	3 Å²	3	39.3 Å²	39.3	2%	0.021	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-26.9	-176.6	54.8	0	0	0	0	114.3	S30 W34 R38 D101 S168	S30-S32 PolarHBondContact O-N 3.47Å; S32-W34 VanDerWaalsContact C-N 3.29Å; S32-W34 PolarHBondContact O-N 3.25Å; S32-R38 PolarHBondContact O-NH2 3.37Å; S32-D101 WeakPolarHBondContact CB-OD2 3.04Å; S32-D101 PolarHBondContact OG-OD2 3.02Å; S32-S168 VanDerWaalsContact CB-OG 3.28Å; S32-S168 WeakPolarHBondContact CB-OG 3.49Å; S32-S168 PolarHBondContact OG-OG 3.28Å
33	A	95.8	Very high	98.3	Very high	53 Å²	53	43.3 Å²	43.3	44%	0.438	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-12.6	176.4	0	0	0	0	0	114.1	V31 P35 P104	V31-A33 VanDerWaalsContact C-N 3.34Å; V31-A33 HydrophobicContact CG1-CB 4.4Å; V31-A33 PolarHBondContact O-N 3.44Å; A33-P35 WeakPolarHBondContact O-CD 3.22Å; A33-P104 HydrophobicContact CB-CG 3.89Å
34	W	97.2	Very high	98.3	Very high	48 Å²	48	42.4 Å²	42.4	18%	0.182	23%	0.229	C	C	.	.			trans	-106.6	103.3	-179.8	-70.1	-9.1	0	0	0	110.3	V31 S32 E36 K37 P104 Q106 F116	V31-W34 HydrophobicContact CB-CB 4.2Å; V31-W34 HydrophobicContact CB-CD2 4.06Å; V31-W34 HydrophobicContact CB-CE3 3.87Å; V31-W34 HydrophobicContact CB-CG 4.22Å; V31-W34 HydrophobicContact CG1-CB 3.96Å; V31-W34 HydrophobicContact CG1-CD2 3.64Å; V31-W34 HydrophobicContact CG1-CE3 3.94Å; V31-W34 HydrophobicContact CG1-CG 3.64Å; V31-W34 HydrophobicContact CG2-CD2 4.41Å; V31-W34 HydrophobicContact CG2-CE3 3.85Å; V31-W34 HydrophobicContact CG2-CZ3 4.04Å; V31-W34 PolarHBondContact O-N 3.21Å; S32-W34 VanDerWaalsContact C-N 3.29Å; S32-W34 PolarHBondContact O-N 3.25Å; W34-E36 PolarHBondContact O-N 3.28Å; W34-E36 VanDerWaalsContact O-N 3.11Å; W34-K37 HydrophobicContact CB-CB 4.17Å; W34-K37 HydrophobicContact CB-CG 3.86Å; W34-K37 HydrophobicContact CE3-CG 3.78Å; W34-K37 PolarHBondContact O-N 3.26Å; W34-P104 HydrophobicContact CH2-CB 4.44Å; W34-P104 HydrophobicContact CZ2-CB 3.61Å; W34-P104 HydrophobicContact CZ2-CG 4.47Å; W34-Q106 HydrophobicContact CH2-CG 3.95Å; W34-Q106 HydrophobicContact CZ2-CG 4.13Å; W34-F116 HydrophobicContact CZ3-CE2 4.49Å
35	P	96.6	Very high	98.3	Very high	56 Å²	56	37.8 Å²	37.8	36%	0.364	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-51	-38.3	-178.1	-30.9	38	0	0	0	114.1	A33 K37 R38 L69 I75	A33-P35 WeakPolarHBondContact O-CD 3.22Å; P35-K37 PolarHBondContact O-N 3.41Å; P35-R38 WeakPolarHBondContact O-CB 3.35Å; P35-R38 PolarHBondContact O-N 3.41Å; P35-L69 HydrophobicContact CB-CD1 4.03Å; P35-L69 HydrophobicContact CG-CD1 3.9Å; P35-L69 HydrophobicContact CG-CD2 4.12Å; P35-I75 HydrophobicContact CB-CD1 4.06Å
36	E	97.4	Very high	98.3	Very high	139 Å²	139	41 Å²	41	65%	0.65	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-67.4	-15.7	179.1	71.1	-80.8	-170.5	0	0	114.1	W34	W34-E36 PolarHBondContact O-N 3.28Å; W34-E36 VanDerWaalsContact O-N 3.11Å
37	K	98.3	Very high	98.3	Very high	52 Å²	52	43.2 Å²	43.2	23%	0.226	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-95	2.3	176.3	-63	-57.4	175.5	170.6	0	114.1	Q29 V31 W34 P35 G39 E40 I41	Q29-K37 HydrophobicContact CB-CD 4.21Å; Q29-K37 WeakPolarHBondContact O-CB 3.45Å; V31-K37 HydrophobicContact CB-CB 4.4Å; V31-K37 HydrophobicContact CB-CG 4.38Å; W34-K37 HydrophobicContact CB-CB 4.17Å; W34-K37 HydrophobicContact CB-CG 3.86Å; W34-K37 HydrophobicContact CE3-CG 3.78Å; W34-K37 PolarHBondContact O-N 3.26Å; P35-K37 PolarHBondContact O-N 3.41Å; K37-G39 PolarHBondContact O-N 3.45Å; K37-E40 WeakPolarHBondContact O-CB 3.36Å; K37-E40 PolarHBondContact O-N 2.89Å; K37-I41 PolarHBondContact O-N 2.74Å
38	R	98.1	Very high	98.3	Very high	19 Å²	19	40.7 Å²	40.7	7%	0.072	21%	0.213	C	C	.	.	H	α-helix	trans	-53.3	-34.5	-179.3	-169.1	63.3	66.9	-154.1	-0.2	113.4	S32 P35 I41 K42 P76 P78 M165	S32-R38 PolarHBondContact O-NH2 3.37Å; P35-R38 WeakPolarHBondContact O-CB 3.35Å; P35-R38 PolarHBondContact O-N 3.41Å; R38-I41 PolarHBondContact O-N 3.22Å; R38-K42 PolarHBondContact O-N 3.06Å; R38-P76 WeakPolarHBondContact CD-O 3.34Å; R38-P76 VanDerWaalsContact CG-O 3.29Å; R38-P76 WeakPolarHBondContact CG-O 3.31Å; R38-P76 PolarHBondContact NE-O 3.33Å; R38-P78 VanDerWaalsContact NH1-CG 3.3Å; R38-M165 PolarHBondContact NH1-SD 3.19Å
39	G	98.4	Very high	98.3	Very high	52 Å²	52	40.8 Å²	40.8	54%	0.536	21%	0.214	S	C	.	.	H	α-helix	trans	-66.1	-35.8	174.5	0	0	0	0	0	114.4	K37 K42 K43	K37-G39 PolarHBondContact O-N 3.45Å; G39-K42 PolarHBondContact O-N 3Å; G39-K43 PolarHBondContact O-N 3.16Å
40	E	98.8	Very high	98.3	Very high	58 Å²	58	44 Å²	44	27%	0.271	23%	0.227	S	C	.	.	H	α-helix	trans	-70.9	-33	176.9	-72.8	-62.8	107.9	0	0	111.5	V28 Q29 K37 K43 M44	V28-E40 HydrophobicContact CG1-CB 4.13Å; V28-E40 WeakPolarHBondContact CG1-O 3.43Å; Q29-E40 WeakPolarHBondContact O-CB 3.42Å; K37-E40 WeakPolarHBondContact O-CB 3.36Å; K37-E40 PolarHBondContact O-N 2.89Å; E40-K43 WeakPolarHBondContact O-CB 3.43Å; E40-K43 PolarHBondContact O-N 2.89Å; E40-K43 IonicContact OE1-NZ 2.72Å; E40-K43 PolarHBondContact OE1-NZ 2.94Å; E40-K43 IonicContact OE2-NZ 2.72Å; E40-K43 PolarHBondContact OE2-NZ 3.46Å; E40-M44 PolarHBondContact O-N 3.03Å
41	I	98.8	Very high	98.3	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-63.5	-48.1	172.7	-51.1	166.9	0	0	0	109.8	K37 R38 K43 M44 M45 P78 D101	K37-I41 PolarHBondContact O-N 2.74Å; R38-I41 PolarHBondContact O-N 3.22Å; I41-K43 VanDerWaalsContact C-N 3.29Å; I41-K43 PolarHBondContact O-N 3.43Å; I41-M44 WeakPolarHBondContact O-CA 3.29Å; I41-M44 WeakPolarHBondContact O-CB 3.41Å; I41-M44 PolarHBondContact O-N 3.23Å; I41-M45 WeakPolarHBondContact O-CG 3.47Å; I41-M45 PolarHBondContact O-N 2.99Å; I41-P78 HydrophobicContact CB-CB 4.42Å; I41-P78 HydrophobicContact CB-CG 4.16Å; I41-P78 HydrophobicContact CD1-CG 4.12Å; I41-P78 HydrophobicContact CG2-CB 3.67Å; I41-P78 HydrophobicContact CG2-CG 3.64Å; I41-D101 HydrophobicContact CG2-CB 4.44Å
42	K	98.6	Very high	98.3	Very high	110 Å²	110	44.9 Å²	44.9	48%	0.478	23%	0.231	S	C	.	.	H	α-helix	trans	-56	-44	175.8	-175.8	-179.2	177.7	-176.2	0	111.9	R38 G39 M44 M45 E46	R38-K42 PolarHBondContact O-N 3.06Å; G39-K42 PolarHBondContact O-N 3Å; K42-M44 VanDerWaalsContact C-N 3.32Å; K42-M44 PolarHBondContact O-N 2.97Å; K42-M45 WeakPolarHBondContact O-CB 3.26Å; K42-M45 PolarHBondContact O-N 3.13Å; K42-E46 VanDerWaalsContact CE-OE1 3.22Å; K42-E46 WeakPolarHBondContact CE-OE1 3.43Å; K42-E46 WeakPolarHBondContact O-CG 3.47Å; K42-E46 PolarHBondContact O-N 3.37Å
43	K	98.8	Very high	98.3	Very high	84 Å²	84	50 Å²	50	37%	0.365	26%	0.255	S	S	.	.	H	α-helix	trans	-59.7	-40.6	174.2	171.2	-175.7	163.4	-160.2	0	112.1	V28 G39 E40 I41 E46 M47	V28-K43 HydrophobicContact CG1-CD 4.39Å; G39-K43 PolarHBondContact O-N 3.16Å; E40-K43 WeakPolarHBondContact O-CB 3.43Å; E40-K43 PolarHBondContact O-N 2.89Å; E40-K43 IonicContact OE1-NZ 2.72Å; E40-K43 PolarHBondContact OE1-NZ 2.94Å; E40-K43 IonicContact OE2-NZ 2.72Å; E40-K43 PolarHBondContact OE2-NZ 3.46Å; I41-K43 VanDerWaalsContact C-N 3.29Å; I41-K43 PolarHBondContact O-N 3.43Å; K43-E46 PolarHBondContact O-N 3.06Å; K43-M47 HydrophobicContact CG-SD 4.25Å; K43-M47 WeakPolarHBondContact O-CG 3.47Å; K43-M47 PolarHBondContact O-N 3.4Å
44	M	98.9	Very high	98.4	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-62.7	-43.7	174.8	-162.9	63.2	-105.3	0	0	111.4	W25 V28 E40 I41 K42 E46 M47 A48 L100	W25-M44 HydrophobicContact CB-CE 4.23Å; W25-M44 HydrophobicContact CB-SD 4.35Å; W25-M44 HydrophobicContact CD2-CE 3.24Å; W25-M44 HydrophobicContact CD2-SD 4.32Å; W25-M44 VanDerWaalsContact CE2-CE 3.44Å; W25-M44 HydrophobicContact CE3-CE 3.59Å; W25-M44 HydrophobicContact CE3-SD 4.47Å; W25-M44 HydrophobicContact CG-CE 3.55Å; W25-M44 HydrophobicContact CG-SD 4.29Å; W25-M44 HydrophobicContact CH2-CE 4.26Å; W25-M44 HydrophobicContact CZ2-CE 3.95Å; W25-M44 HydrophobicContact CZ3-CE 4.11Å; V28-M44 HydrophobicContact CB-SD 3.84Å; V28-M44 HydrophobicContact CG1-CB 3.97Å; V28-M44 HydrophobicContact CG1-SD 4.13Å; V28-M44 HydrophobicContact CG2-SD 4.08Å; E40-M44 PolarHBondContact O-N 3.03Å; I41-M44 WeakPolarHBondContact O-CA 3.29Å; I41-M44 WeakPolarHBondContact O-CB 3.41Å; I41-M44 PolarHBondContact O-N 3.23Å; K42-M44 VanDerWaalsContact C-N 3.32Å; K42-M44 PolarHBondContact O-N 2.97Å; M44-E46 VanDerWaalsContact C-N 3.34Å; M44-E46 PolarHBondContact O-N 3.13Å; M44-M47 HydrophobicContact CE-CB 3.85Å; M44-M47 HydrophobicContact CE-CE 4.13Å; M44-M47 HydrophobicContact CE-SD 4.4Å; M44-M47 PolarHBondContact O-N 3.12Å; M44-A48 PolarHBondContact O-N 3.37Å; M44-L100 HydrophobicContact CG-CB 3.84Å; M44-L100 HydrophobicContact CG-CD2 4.39Å; M44-L100 HydrophobicContact CG-CG 4.49Å
45	M	98.9	Very high	98.5	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-60.3	-43.9	174.5	-53.9	-46.4	-78.6	0	0	111.5	I41 K42 M47 A48 A49 L61 P79 I81 L100 F162	I41-M45 WeakPolarHBondContact O-CG 3.47Å; I41-M45 PolarHBondContact O-N 2.99Å; K42-M45 WeakPolarHBondContact O-CB 3.26Å; K42-M45 PolarHBondContact O-N 3.13Å; M45-M47 VanDerWaalsContact C-N 3.32Å; M45-M47 PolarHBondContact O-N 2.62Å; M45-A48 PolarHBondContact O-N 2.89Å; M45-A49 WeakPolarHBondContact O-CB 3.41Å; M45-A49 PolarHBondContact O-N 3.38Å; M45-L61 HydrophobicContact CB-CD2 4.14Å; M45-P79 HydrophobicContact CB-CG 4.07Å; M45-P79 WeakPolarHBondContact CE-O 3.39Å; M45-P79 HydrophobicContact CG-CG 4.06Å; M45-I81 HydrophobicContact CB-CD1 4.18Å; M45-I81 HydrophobicContact CB-CG1 4.48Å; M45-I81 HydrophobicContact CE-CB 4.45Å; M45-I81 HydrophobicContact CE-CD1 3.68Å; M45-I81 HydrophobicContact CE-CG1 3.84Å; M45-I81 WeakPolarHBondContact O-CD1 3.42Å; M45-I81 HydrophobicContact SD-CD1 4.47Å; M45-L100 HydrophobicContact CE-CD1 4.1Å; M45-L100 HydrophobicContact SD-CB 3.79Å; M45-L100 HydrophobicContact SD-CD1 3.62Å; M45-L100 HydrophobicContact SD-CG 4.24Å; M45-F162 HydrophobicContact CE-CB 4.5Å; M45-F162 WeakPolarHBondContact CE-O 3.42Å
46	E	98.8	Very high	98.6	Very high	72 Å²	72	51.8 Å²	51.8	34%	0.336	26%	0.263	S	S	.	.	H	α-helix	trans	-65	-34.5	177.3	-71.6	173	-176.3	0	0	112.7	K42 K43 M44 K50 L61	K42-E46 VanDerWaalsContact CE-OE1 3.22Å; K42-E46 WeakPolarHBondContact CE-OE1 3.43Å; K42-E46 WeakPolarHBondContact O-CG 3.47Å; K42-E46 PolarHBondContact O-N 3.37Å; K43-E46 PolarHBondContact O-N 3.06Å; M44-E46 VanDerWaalsContact C-N 3.34Å; M44-E46 PolarHBondContact O-N 3.13Å; E46-K50 VanDerWaalsContact O-CG 3.28Å; E46-K50 WeakPolarHBondContact O-CG 3.41Å; E46-K50 PolarHBondContact O-N 2.86Å; E46-K50 VanDerWaalsContact O-N 3.09Å; E46-L61 HydrophobicContact CG-CD1 4.17Å
47	M	98.8	Very high	98.6	Very high	47 Å²	47	45.7 Å²	45.7	23%	0.232	24%	0.237	C	C	.	.	H	α-helix	trans	-66.3	-46.7	174.3	-75.9	172.2	59.4	0	0	111.5	V28 K43 M44 M45 K50 D51	V28-M47 HydrophobicContact CG2-CE 4.13Å; V28-M47 HydrophobicContact CG2-SD 3.71Å; K43-M47 HydrophobicContact CG-SD 4.25Å; K43-M47 WeakPolarHBondContact O-CG 3.47Å; K43-M47 PolarHBondContact O-N 3.4Å; M44-M47 HydrophobicContact CE-CB 3.85Å; M44-M47 HydrophobicContact CE-CE 4.13Å; M44-M47 HydrophobicContact CE-SD 4.4Å; M44-M47 PolarHBondContact O-N 3.12Å; M45-M47 VanDerWaalsContact C-N 3.32Å; M45-M47 PolarHBondContact O-N 2.62Å; M47-K50 PolarHBondContact O-N 3.04Å; M47-D51 PolarHBondContact O-N 3.44Å
48	A	98.9	Very high	98.7	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-65.5	-37.8	176.6	0	0	0	0	0	112.4	W25 M44 M45 K50 D51 I52 I81 L100 F141	W25-A48 HydrophobicContact CH2-CB 3.97Å; W25-A48 HydrophobicContact CZ2-CB 4.17Å; M44-A48 PolarHBondContact O-N 3.37Å; M45-A48 PolarHBondContact O-N 2.89Å; A48-K50 PolarHBondContact O-N 3.13Å; A48-D51 WeakPolarHBondContact O-CB 3.35Å; A48-D51 PolarHBondContact O-N 3.16Å; A48-I52 PolarHBondContact O-N 2.82Å; A48-I81 HydrophobicContact CB-CD1 3.77Å; A48-L100 HydrophobicContact CB-CD1 3.43Å; A48-L100 VanDerWaalsContact CB-CD1 3.43Å; A48-F141 HydrophobicContact CB-CE2 4.18Å; A48-F141 HydrophobicContact CB-CZ 4.36Å
49	A	98.9	Very high	98.7	Very high	6 Å²	6	47.9 Å²	47.9	5%	0.05	26%	0.257	C	S	.	.	H	α-helix	trans	-59	-45.9	173.3	0	0	0	0	0	111.8	M45 D51 I52 E53 V59 L61	M45-A49 WeakPolarHBondContact O-CB 3.41Å; M45-A49 PolarHBondContact O-N 3.38Å; A49-D51 VanDerWaalsContact C-N 3.28Å; A49-D51 PolarHBondContact O-N 3.05Å; A49-I52 PolarHBondContact O-N 2.97Å; A49-E53 WeakPolarHBondContact O-CG 3.21Å; A49-E53 PolarHBondContact O-N 2.82Å; A49-V59 HydrophobicContact CB-CB 4.36Å; A49-V59 HydrophobicContact CB-CG1 3.76Å; A49-V59 HydrophobicContact CB-CG2 4.38Å; A49-L61 HydrophobicContact CB-CD2 4.31Å
50	K	98.8	Very high	98.7	Very high	126 Å²	126	49.8 Å²	49.8	55%	0.548	25%	0.252	S	S	.	.	H	α-helix	trans	-62.8	-33.6	175.5	-73.9	169.5	-174.4	168.1	0	112.7	E46 M47 A48 E53 R54	E46-K50 VanDerWaalsContact O-CG 3.28Å; E46-K50 WeakPolarHBondContact O-CG 3.41Å; E46-K50 PolarHBondContact O-N 2.86Å; E46-K50 VanDerWaalsContact O-N 3.09Å; M47-K50 PolarHBondContact O-N 3.04Å; A48-K50 PolarHBondContact O-N 3.13Å; K50-E53 PolarHBondContact O-N 2.92Å; K50-R54 VanDerWaalsContact O-CB 3.29Å; K50-R54 WeakPolarHBondContact O-CB 3.33Å; K50-R54 PolarHBondContact O-N 3.34Å
51	D	98.6	Very high	98.7	Very high	16 Å²	16	50.2 Å²	50.2	9%	0.086	26%	0.256	C	S	.	.	H	α-helix	trans	-66.3	-41.7	174.9	-77.4	-22.9	0	0	0	111.4	W25 M47 A48 A49 R54 L55 F141	W25-D51 VanDerWaalsContact CZ2-OD2 3.29Å; W25-D51 WeakPolarHBondContact CZ2-OD2 3.49Å; M47-D51 PolarHBondContact O-N 3.44Å; A48-D51 WeakPolarHBondContact O-CB 3.35Å; A48-D51 PolarHBondContact O-N 3.16Å; A49-D51 VanDerWaalsContact C-N 3.28Å; A49-D51 PolarHBondContact O-N 3.05Å; D51-R54 PolarHBondContact O-N 3.31Å; D51-R54 IonicContact OD1-CZ 3.75Å; D51-R54 IonicContact OD1-NH1 3.04Å; D51-R54 PolarHBondContact OD1-NH1 2.71Å; D51-R54 IonicContact OD1-NH2 3.85Å; D51-R54 PolarHBondContact OD1-NH2 3.12Å; D51-L55 VanDerWaalsContact O-CG 3.27Å; D51-L55 WeakPolarHBondContact O-CG 3.36Å; D51-L55 PolarHBondContact O-N 3.44Å; D51-L55 VanDerWaalsContact O-N 3.12Å; D51-F141 HydrophobicContact CB-CD2 3.67Å; D51-F141 HydrophobicContact CB-CE2 3.61Å; D51-F141 HydrophobicContact CB-CG 4.34Å; D51-F141 HydrophobicContact CB-CZ 4.25Å
52	I	98.8	Very high	98.7	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-63	-46.4	173.6	-63.8	166.3	0	0	0	110.9	A48 A49 R54 L55 G56 G57 V59 I81 F141 F160 F162	A48-I52 PolarHBondContact O-N 2.82Å; A49-I52 PolarHBondContact O-N 2.97Å; I52-R54 VanDerWaalsContact C-N 3.35Å; I52-R54 PolarHBondContact O-N 3.33Å; I52-L55 PolarHBondContact O-N 3.35Å; I52-L55 VanDerWaalsContact O-N 3.16Å; I52-G56 PolarHBondContact O-N 2.95Å; I52-G57 WeakPolarHBondContact O-CA 3.2Å; I52-G57 PolarHBondContact O-N 3.3Å; I52-V59 HydrophobicContact CB-CG2 3.53Å; I52-V59 HydrophobicContact CD1-CG2 3.91Å; I52-V59 HydrophobicContact CG1-CG2 4.32Å; I52-V59 HydrophobicContact CG2-CG2 3.43Å; I52-V59 VanDerWaalsContact CG2-CG2 3.43Å; I52-I81 HydrophobicContact CD1-CG2 3.68Å; I52-F141 HydrophobicContact CD1-CE1 4.33Å; I52-F141 HydrophobicContact CD1-CZ 4.22Å; I52-F141 HydrophobicContact CG1-CE1 3.61Å; I52-F141 HydrophobicContact CG1-CZ 3.71Å; I52-F160 HydrophobicContact CD1-CB 3.93Å; I52-F160 HydrophobicContact CD1-CD2 3.82Å; I52-F160 HydrophobicContact CD1-CE2 4.46Å; I52-F160 HydrophobicContact CD1-CG 3.84Å; I52-F160 HydrophobicContact CG1-CD2 4.01Å; I52-F160 HydrophobicContact CG1-CE2 4.15Å; I52-F160 HydrophobicContact CG1-CG 4.29Å; I52-F160 HydrophobicContact CG2-CD2 4.02Å; I52-F160 HydrophobicContact CG2-CE2 3.97Å; I52-F162 HydrophobicContact CD1-CD2 4.42Å; I52-F162 HydrophobicContact CD1-CE2 4.31Å
53	E	98.8	Very high	98.7	Very high	112 Å²	112	51.6 Å²	51.6	52%	0.523	27%	0.269	S	S	.	.	H	α-helix	trans	-60.6	-42.2	177	-70.2	176.1	156.5	0	0	112	A49 K50 L55 G56 V59	A49-E53 WeakPolarHBondContact O-CG 3.21Å; A49-E53 PolarHBondContact O-N 2.82Å; K50-E53 PolarHBondContact O-N 2.92Å; E53-L55 PolarHBondContact O-N 3.06Å; E53-G56 WeakPolarHBondContact O-CA 3.41Å; E53-G56 PolarHBondContact O-N 3.46Å; E53-V59 HydrophobicContact CG-CG2 4.39Å
54	R	98.5	Very high	98.6	Very high	125 Å²	125	49.4 Å²	49.4	47%	0.472	26%	0.261	S	S	.	.	H	α-helix	trans	-60.6	-35.3	176.1	-178.6	-177	67.2	-130.2	-8.5	111.9	K50 D51 I52 G56	K50-R54 VanDerWaalsContact O-CB 3.29Å; K50-R54 WeakPolarHBondContact O-CB 3.33Å; K50-R54 PolarHBondContact O-N 3.34Å; D51-R54 PolarHBondContact O-N 3.31Å; D51-R54 IonicContact OD1-CZ 3.75Å; D51-R54 IonicContact OD1-NH1 3.04Å; D51-R54 PolarHBondContact OD1-NH1 2.71Å; D51-R54 IonicContact OD1-NH2 3.85Å; D51-R54 PolarHBondContact OD1-NH2 3.12Å; I52-R54 VanDerWaalsContact C-N 3.35Å; I52-R54 PolarHBondContact O-N 3.33Å; R54-G56 PolarHBondContact O-N 2.93Å
55	L	98.5	Very high	98.6	Very high	6 Å²	6	50.9 Å²	50.9	3%	0.031	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	2.4	174.9	-65.1	170.2	0	0	0	112.5	D51 I52 E53 L85 F141 I144 E145 Q148	D51-L55 VanDerWaalsContact O-CG 3.27Å; D51-L55 WeakPolarHBondContact O-CG 3.36Å; D51-L55 PolarHBondContact O-N 3.44Å; D51-L55 VanDerWaalsContact O-N 3.12Å; I52-L55 PolarHBondContact O-N 3.35Å; I52-L55 VanDerWaalsContact O-N 3.16Å; E53-L55 PolarHBondContact O-N 3.06Å; L55-L85 HydrophobicContact CB-CD2 4.42Å; L55-L85 VanDerWaalsContact O-CD1 3.28Å; L55-L85 WeakPolarHBondContact O-CD1 3.42Å; L55-F141 HydrophobicContact CD1-CB 4.22Å; L55-F141 HydrophobicContact CD1-CD1 4.03Å; L55-F141 HydrophobicContact CD1-CG 4.37Å; L55-I144 HydrophobicContact CB-CG2 4.35Å; L55-I144 HydrophobicContact CD1-CB 4.07Å; L55-I144 HydrophobicContact CD1-CD1 4.29Å; L55-I144 HydrophobicContact CD1-CG2 3.95Å; L55-I144 HydrophobicContact CD2-CB 4.45Å; L55-I144 HydrophobicContact CD2-CG2 4.03Å; L55-I144 HydrophobicContact CG-CG2 4.33Å; L55-E145 HydrophobicContact CD2-CB 3.9Å; L55-Q148 PolarHBondContact O-NE2 3.35Å
56	G	98.4	Very high	98.5	Very high	63 Å²	63	57.2 Å²	57.2	65%	0.649	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.1	15.2	-179.9	0	0	0	0	0	113.7	I52 E53 R54	I52-G56 PolarHBondContact O-N 2.95Å; E53-G56 WeakPolarHBondContact O-CA 3.41Å; E53-G56 PolarHBondContact O-N 3.46Å; R54-G56 PolarHBondContact O-N 2.93Å
57	G	98.5	Very high	98.4	Very high	10 Å²	10	55 Å²	55	10%	0.103	29%	0.294	C	S	.	.			trans	-83.5	175.2	174	0	0	0	0	0	113	I52 H84	I52-G57 WeakPolarHBondContact O-CA 3.2Å; I52-G57 PolarHBondContact O-N 3.3Å; G57-H84 CarbonylContact C-O 3.57Å; G57-H84 WeakPolarHBondContact CA-O 3.43Å
58	T	98.6	Very high	98.2	Very high	80 Å²	80	59.9 Å²	59.9	49%	0.491	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	149.6	169.8	56	0	0	0	0	109.3	G83 H84	T58-G83 CarbonylContact O-C 3.52Å; T58-G83 WeakPolarHBondContact O-CA 3.42Å; T58-H84 PolarHBondContact N-O 3.22Å; T58-H84 PolarHBondContact O-N 2.83Å; T58-H84 PolarHBondContact OG1-CD2 3.45Å
59	V	98.7	Very high	97.8	Very high	37 Å²	37	60.9 Å²	60.9	22%	0.224	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	138.6	-176.4	179.2	0	0	0	0	111	A49 I52 E53 I81	A49-V59 HydrophobicContact CB-CB 4.36Å; A49-V59 HydrophobicContact CB-CG1 3.76Å; A49-V59 HydrophobicContact CB-CG2 4.38Å; I52-V59 HydrophobicContact CB-CG2 3.53Å; I52-V59 HydrophobicContact CD1-CG2 3.91Å; I52-V59 HydrophobicContact CG1-CG2 4.32Å; I52-V59 HydrophobicContact CG2-CG2 3.43Å; I52-V59 VanDerWaalsContact CG2-CG2 3.43Å; E53-V59 HydrophobicContact CG-CG2 4.39Å; V59-I81 HydrophobicContact CG1-CG2 3.96Å
60	E	98.7	Very high	97	Very high	92 Å²	92	67.4 Å²	67.4	43%	0.43	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	125.5	161.4	-175	-175.4	176	0	0	108.5	V62 L82	E60-V62 HydrophobicContact CB-CG2 4.42Å; E60-V62 HydrophobicContact CG-CG2 3.8Å; E60-L82 HydrophobicContact CB-CB 4.46Å; E60-L82 PolarHBondContact N-O 3.19Å; E60-L82 PolarHBondContact O-N 3.3Å
61	L	98.7	Very high	96.2	Very high	68 Å²	68	65.9 Å²	65.9	36%	0.356	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	95.3	166.9	-71.4	174.6	0	0	0	107.9	M45 E46 A49 D63 P79 I81	M45-L61 HydrophobicContact CB-CD2 4.14Å; E46-L61 HydrophobicContact CG-CD1 4.17Å; A49-L61 HydrophobicContact CB-CD2 4.31Å; L61-D63 PolarHBondContact O-N 2.81Å; L61-P79 HydrophobicContact CB-CB 4.03Å; L61-P79 HydrophobicContact CB-CG 4.39Å; L61-P79 HydrophobicContact CD2-CB 4.36Å; L61-P79 HydrophobicContact CD2-CG 4.1Å; L61-I81 HydrophobicContact CD2-CD1 4.37Å; L61-I81 HydrophobicContact CD2-CG1 3.44Å; L61-I81 VanDerWaalsContact CD2-CG1 3.44Å
62	V	98.7	Very high	95.8	Very high	9 Å²	9	67.2 Å²	67.2	6%	0.055	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	122.7	-173.8	-172.9	0	0	0	0	110.1	E60 I64 P79 I80 L82 L176	E60-V62 HydrophobicContact CB-CG2 4.42Å; E60-V62 HydrophobicContact CG-CG2 3.8Å; V62-I64 HydrophobicContact CG1-CG2 4.34Å; V62-P79 CarbonylContact O-C 3.46Å; V62-P79 WeakPolarHBondContact O-CA 3.25Å; V62-P79 WeakPolarHBondContact O-CB 3.05Å; V62-I80 PolarHBondContact N-O 2.87Å; V62-I80 PolarHBondContact O-N 3.42Å; V62-L82 HydrophobicContact CG2-CB 4.34Å; V62-L82 HydrophobicContact CG2-CD1 3.74Å; V62-L82 HydrophobicContact CG2-CG 3.8Å; V62-L176 HydrophobicContact CB-CD2 4.16Å; V62-L176 HydrophobicContact CG1-CD1 3.87Å; V62-L176 HydrophobicContact CG1-CD2 4.08Å; V62-L176 HydrophobicContact CG2-CD2 4.34Å
63	D	98.3	Very high	95.5	Very high	130 Å²	130	72.8 Å²	72.8	70%	0.695	41%	0.409	S	S	*	.			trans	-74.7	122.4	168.9	-173.7	-3	0	0	0	109.9	L61 G65	L61-D63 PolarHBondContact O-N 2.81Å; D63-G65 PolarHBondContact OD1-N 3.5Å
64	I	97.7	Very high	95.4	Very high	37 Å²	37	72.9 Å²	72.9	19%	0.19	41%	0.409	C	S	.	.			trans	-110.2	10.4	180	56.2	169	0	0	0	112.9	V62 L77 I80 E171 L176	V62-I64 HydrophobicContact CG1-CG2 4.34Å; I64-L77 HydrophobicContact CD1-CB 3.96Å; I64-L77 HydrophobicContact CD1-CD1 4.06Å; I64-L77 HydrophobicContact CD1-CG 4.46Å; I64-L77 HydrophobicContact CG1-CB 3.72Å; I64-L77 HydrophobicContact CG1-CD1 4.02Å; I64-L77 HydrophobicContact CG1-CG 4.47Å; I64-I80 HydrophobicContact CD1-CD1 3.82Å; I64-I80 HydrophobicContact CD1-CG1 4.02Å; I64-I80 HydrophobicContact CG2-CD1 3.84Å; I64-I80 HydrophobicContact CG2-CG1 4.36Å; I64-E171 WeakPolarHBondContact CD1-O 3.34Å; I64-L176 HydrophobicContact CG2-CD2 4.27Å
65	G	97.6	Very high	95.4	Very high	32 Å²	32	67.7 Å²	67.7	33%	0.33	39%	0.391	S	S	.	.			trans	96.8	-136.6	172	0	0	0	0	0	113.8	D63 L77	D63-G65 PolarHBondContact OD1-N 3.5Å; G65-L77 PolarHBondContact O-N 3.02Å
66	K	97.7	Very high	95.3	Very high	132 Å²	132	71.4 Å²	71.4	57%	0.574	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.6	145.3	-168.9	-61.7	-175.6	-174.8	179.1	0	111.5	E74 I75	K66-E74 HydrophobicContact CB-CB 4.41Å; K66-E74 HydrophobicContact CD-CB 4.04Å; K66-E74 WeakPolarHBondContact CD-OE2 3.36Å; K66-E74 IonicContact NZ-OE2 2.86Å; K66-I75 CarbonylContact C-O 3.49Å; K66-I75 VanDerWaalsContact CA-O 3.26Å; K66-I75 WeakPolarHBondContact CA-O 3.37Å; K66-I75 WeakPolarHBondContact CB-O 3.24Å
67	Q	96.4	Very high	95.4	Very high	27 Å²	27	69.1 Å²	69.1	13%	0.126	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	134.7	170.8	178.5	176.9	49.6	0	0	109.6	L69 E74 I75 L77 E171	Q67-L69 HydrophobicContact CG-CD2 4.44Å; Q67-E74 VanDerWaalsContact O-CA 3.29Å; Q67-E74 WeakPolarHBondContact O-CA 3.32Å; Q67-I75 HydrophobicContact CB-CG1 4.23Å; Q67-I75 PolarHBondContact N-O 3.22Å; Q67-I75 PolarHBondContact O-N 3.34Å; Q67-L77 HydrophobicContact CB-CD2 3.85Å; Q67-L77 HydrophobicContact CB-CG 4.04Å; Q67-E171 WeakPolarHBondContact CG-OE2 3.44Å; Q67-E171 PolarHBondContact NE2-OE2 3.22Å
68	K	94.4	Very high	95.3	Very high	148 Å²	148	68.8 Å²	68.8	64%	0.643	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.3	116.3	170.4	-173.4	175.2	-177.5	174.8	0	110.6	E74	K68-E74 HydrophobicContact CB-CG 4.44Å
69	L	90.3	Very high	95.3	Very high	22 Å²	22	65.9 Å²	65.9	12%	0.115	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-73.9	160.5	178.8	-61	-177.5	0	0	0	111.9	P35 Q67 S71 G72 E73 I75	P35-L69 HydrophobicContact CB-CD1 4.03Å; P35-L69 HydrophobicContact CG-CD1 3.9Å; P35-L69 HydrophobicContact CG-CD2 4.12Å; Q67-L69 HydrophobicContact CG-CD2 4.44Å; L69-S71 PolarHBondContact O-N 2.71Å; L69-S71 VanDerWaalsContact O-N 3.13Å; L69-G72 WeakPolarHBondContact O-CA 3.27Å; L69-G72 PolarHBondContact O-N 3.29Å; L69-E73 HydrophobicContact CD1-CB 4.39Å; L69-E73 PolarHBondContact N-O 2.83Å; L69-I75 HydrophobicContact CD1-CD1 4.26Å; L69-I75 HydrophobicContact CD1-CG1 4.47Å; L69-I75 HydrophobicContact CD1-CG2 4.03Å; L69-I75 HydrophobicContact CD2-CD1 3.88Å; L69-I75 HydrophobicContact CD2-CG1 4.19Å; L69-I75 HydrophobicContact CG-CD1 4.32Å; L69-I75 HydrophobicContact CG-CG1 4.29Å
70	P	82.3	Confident	95.3	Very high	143 Å²	143	64.3 Å²	64.3	93%	0.929	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-27.1	173.8	-27.1	35.8	0	0	0	114.4	G72	P70-G72 PolarHBondContact O-N 3.48Å
71	S	82.5	Confident	95.4	Very high	94 Å²	94	59.9 Å²	59.9	66%	0.657	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-15.4	173.9	60.4	0	0	0	0	113.6	L69 E73	L69-S71 PolarHBondContact O-N 2.71Å; L69-S71 VanDerWaalsContact O-N 3.13Å; S71-E73 PolarHBondContact OG-N 2.95Å
72	G	89.4	Confident	95.4	Very high	43 Å²	43	56.9 Å²	56.9	44%	0.443	32%	0.321	S	S	.	.	S	Bend	trans	92.2	-6.8	-172.9	0	0	0	0	0	114.5	L69 P70	L69-G72 WeakPolarHBondContact O-CA 3.27Å; L69-G72 PolarHBondContact O-N 3.29Å; P70-G72 PolarHBondContact O-N 3.48Å
73	E	93.8	Very high	95.4	Very high	119 Å²	119	56.4 Å²	56.4	56%	0.556	32%	0.318	S	S	*	.			trans	-68.7	147.1	173.1	-177.8	176.3	-178.8	0	0	111.3	L69 S71 I75	L69-E73 HydrophobicContact CD1-CB 4.39Å; L69-E73 PolarHBondContact N-O 2.83Å; S71-E73 PolarHBondContact OG-N 2.95Å; E73-I75 HydrophobicContact CG-CG2 4.39Å
74	E	97.1	Very high	95.3	Very high	113 Å²	113	53.1 Å²	53.1	53%	0.528	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	127.9	173.4	-68.1	-177.8	175.7	0	0	111	K66 Q67 K68	K66-E74 HydrophobicContact CB-CB 4.41Å; K66-E74 HydrophobicContact CD-CB 4.04Å; K66-E74 WeakPolarHBondContact CD-OE2 3.36Å; K66-E74 IonicContact NZ-OE2 2.86Å; Q67-E74 VanDerWaalsContact O-CA 3.29Å; Q67-E74 WeakPolarHBondContact O-CA 3.32Å; K68-E74 HydrophobicContact CB-CG 4.44Å
75	I	97	Very high	95.4	Very high	17 Å²	17	52 Å²	52	9%	0.087	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	151.8	175.4	63.7	171.1	0	0	0	109.9	P35 K66 Q67 L69 E73 L77	P35-I75 HydrophobicContact CB-CD1 4.06Å; K66-I75 CarbonylContact C-O 3.49Å; K66-I75 VanDerWaalsContact CA-O 3.26Å; K66-I75 WeakPolarHBondContact CA-O 3.37Å; K66-I75 WeakPolarHBondContact CB-O 3.24Å; Q67-I75 HydrophobicContact CB-CG1 4.23Å; Q67-I75 PolarHBondContact N-O 3.22Å; Q67-I75 PolarHBondContact O-N 3.34Å; L69-I75 HydrophobicContact CD1-CD1 4.26Å; L69-I75 HydrophobicContact CD1-CG1 4.47Å; L69-I75 HydrophobicContact CD1-CG2 4.03Å; L69-I75 HydrophobicContact CD2-CD1 3.88Å; L69-I75 HydrophobicContact CD2-CG1 4.19Å; L69-I75 HydrophobicContact CG-CD1 4.32Å; L69-I75 HydrophobicContact CG-CG1 4.29Å; E73-I75 HydrophobicContact CG-CG2 4.39Å; I75-L77 PolarHBondContact O-N 3.43Å
76	P	97.9	Very high	95.4	Very high	84 Å²	84	52.3 Å²	52.3	55%	0.545	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	137.5	176.5	26.5	-34.2	0	0	0	110.8	R38	R38-P76 WeakPolarHBondContact CD-O 3.34Å; R38-P76 VanDerWaalsContact CG-O 3.29Å; R38-P76 WeakPolarHBondContact CG-O 3.31Å; R38-P76 PolarHBondContact NE-O 3.33Å
77	L	98.4	Very high	95.4	Very high	14 Å²	14	50.7 Å²	50.7	7%	0.073	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-69.3	150.7	166.6	-79.4	162.4	0	0	0	109.6	I64 G65 Q67 I75 M165 E171	I64-L77 HydrophobicContact CD1-CB 3.96Å; I64-L77 HydrophobicContact CD1-CD1 4.06Å; I64-L77 HydrophobicContact CD1-CG 4.46Å; I64-L77 HydrophobicContact CG1-CB 3.72Å; I64-L77 HydrophobicContact CG1-CD1 4.02Å; I64-L77 HydrophobicContact CG1-CG 4.47Å; G65-L77 PolarHBondContact O-N 3.02Å; Q67-L77 HydrophobicContact CB-CD2 3.85Å; Q67-L77 HydrophobicContact CB-CG 4.04Å; I75-L77 PolarHBondContact O-N 3.43Å; L77-M165 HydrophobicContact CD2-CE 3.87Å; L77-M165 HydrophobicContact CD2-CG 3.9Å; L77-M165 HydrophobicContact CD2-SD 4.08Å; L77-E171 HydrophobicContact CD1-CG 4.16Å; L77-E171 HydrophobicContact CD2-CB 4.1Å; L77-E171 HydrophobicContact CD2-CG 4.34Å
78	P	98.3	Very high	95.4	Very high	4 Å²	4	52.5 Å²	52.5	3%	0.026	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-59.7	145.6	166.9	-20.3	34.7	0	0	0	110.5	R38 I41 G164 M165	R38-P78 VanDerWaalsContact NH1-CG 3.3Å; I41-P78 HydrophobicContact CB-CB 4.42Å; I41-P78 HydrophobicContact CB-CG 4.16Å; I41-P78 HydrophobicContact CD1-CG 4.12Å; I41-P78 HydrophobicContact CG2-CB 3.67Å; I41-P78 HydrophobicContact CG2-CG 3.64Å; P78-G164 WeakPolarHBondContact CG-O 3.37Å; P78-M165 HydrophobicContact CG-CG 4.03Å; P78-M165 HydrophobicContact CG-SD 4.14Å
79	P	98.5	Very high	95.6	Very high	19 Å²	19	51.7 Å²	51.7	12%	0.123	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-68.1	154.8	174.8	31	-35.1	0	0	0	110.7	M45 L61 V62	M45-P79 HydrophobicContact CB-CG 4.07Å; M45-P79 WeakPolarHBondContact CE-O 3.39Å; M45-P79 HydrophobicContact CG-CG 4.06Å; L61-P79 HydrophobicContact CB-CB 4.03Å; L61-P79 HydrophobicContact CB-CG 4.39Å; L61-P79 HydrophobicContact CD2-CB 4.36Å; L61-P79 HydrophobicContact CD2-CG 4.1Å; V62-P79 CarbonylContact O-C 3.46Å; V62-P79 WeakPolarHBondContact O-CA 3.25Å; V62-P79 WeakPolarHBondContact O-CB 3.05Å
80	I	98.9	Very high	95.9	Very high	3 Å²	3	55 Å²	55	2%	0.015	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	131.6	167.6	-67.7	167.3	0	0	0	108.8	V62 I64 L82 E163 L173 L176	V62-I80 PolarHBondContact N-O 2.87Å; V62-I80 PolarHBondContact O-N 3.42Å; I64-I80 HydrophobicContact CD1-CD1 3.82Å; I64-I80 HydrophobicContact CD1-CG1 4.02Å; I64-I80 HydrophobicContact CG2-CD1 3.84Å; I64-I80 HydrophobicContact CG2-CG1 4.36Å; I80-L82 HydrophobicContact CG2-CD2 4.2Å; I80-L82 PolarHBondContact O-N 3.06Å; I80-E163 HydrophobicContact CG1-CB 4.18Å; I80-L173 HydrophobicContact CD1-CB 3.93Å; I80-L173 HydrophobicContact CD1-CD1 3.64Å; I80-L173 HydrophobicContact CD1-CG 4.36Å; I80-L173 HydrophobicContact CG2-CD1 4.31Å; I80-L176 HydrophobicContact CB-CD2 3.75Å; I80-L176 HydrophobicContact CD1-CB 4.47Å; I80-L176 HydrophobicContact CD1-CD2 3.6Å; I80-L176 HydrophobicContact CG1-CD2 4.27Å; I80-L176 HydrophobicContact CG2-CD2 3.7Å
81	I	98.9	Very high	96.7	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	119.4	172.6	-71	160.6	0	0	0	108.5	M45 A48 I52 V59 L61 L100 C161 F162	M45-I81 HydrophobicContact CB-CD1 4.18Å; M45-I81 HydrophobicContact CB-CG1 4.48Å; M45-I81 HydrophobicContact CE-CB 4.45Å; M45-I81 HydrophobicContact CE-CD1 3.68Å; M45-I81 HydrophobicContact CE-CG1 3.84Å; M45-I81 WeakPolarHBondContact O-CD1 3.42Å; M45-I81 HydrophobicContact SD-CD1 4.47Å; A48-I81 HydrophobicContact CB-CD1 3.77Å; I52-I81 HydrophobicContact CD1-CG2 3.68Å; V59-I81 HydrophobicContact CG1-CG2 3.96Å; L61-I81 HydrophobicContact CD2-CD1 4.37Å; L61-I81 HydrophobicContact CD2-CG1 3.44Å; L61-I81 VanDerWaalsContact CD2-CG1 3.44Å; I81-L100 HydrophobicContact CD1-CD1 4.02Å; I81-C161 VanDerWaalsContact O-CA 3.29Å; I81-C161 WeakPolarHBondContact O-CA 3.22Å; I81-F162 HydrophobicContact CB-CB 4.12Å; I81-F162 HydrophobicContact CD1-CB 4.17Å; I81-F162 HydrophobicContact CD1-CD2 4.46Å; I81-F162 HydrophobicContact CG2-CD2 4.32Å; I81-F162 PolarHBondContact N-O 2.96Å; I81-F162 PolarHBondContact O-N 2.73Å; I81-F162 VanDerWaalsContact O-N 3.08Å
82	L	98.9	Very high	97.4	Very high	4 Å²	4	48.1 Å²	48.1	2%	0.021	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	102.2	161.4	-63.4	-172.6	0	0	0	108.5	E60 V62 I80 F160 C161 L176 R180 F184 F185	E60-L82 HydrophobicContact CB-CB 4.46Å; E60-L82 PolarHBondContact N-O 3.19Å; E60-L82 PolarHBondContact O-N 3.3Å; V62-L82 HydrophobicContact CG2-CB 4.34Å; V62-L82 HydrophobicContact CG2-CD1 3.74Å; V62-L82 HydrophobicContact CG2-CG 3.8Å; I80-L82 HydrophobicContact CG2-CD2 4.2Å; I80-L82 PolarHBondContact O-N 3.06Å; L82-F160 WeakPolarHBondContact CA-O 3.29Å; L82-C161 HydrophobicContact CD2-CB 4.31Å; L82-L176 HydrophobicContact CD1-CD2 4.4Å; L82-R180 HydrophobicContact CD1-CG 4.18Å; L82-F184 HydrophobicContact CB-CD1 4.48Å; L82-F184 HydrophobicContact CB-CD2 4.04Å; L82-F184 HydrophobicContact CB-CE1 4.16Å; L82-F184 HydrophobicContact CB-CE2 3.69Å; L82-F184 HydrophobicContact CB-CG 4.41Å; L82-F184 HydrophobicContact CB-CZ 3.75Å; L82-F184 HydrophobicContact CD1-CB 4.44Å; L82-F184 HydrophobicContact CD1-CD1 4.28Å; L82-F184 HydrophobicContact CD1-CD2 4.42Å; L82-F184 HydrophobicContact CD1-CG 4.13Å; L82-F184 HydrophobicContact CD2-CD1 4.03Å; L82-F184 HydrophobicContact CD2-CE1 3.79Å; L82-F184 HydrophobicContact CD2-CZ 4.21Å; L82-F184 HydrophobicContact CG-CD1 4.5Å; L82-F184 HydrophobicContact CG-CE1 4.42Å; L82-F184 HydrophobicContact CG-CZ 4.48Å; L82-F185 HydrophobicContact CD2-CZ 4.04Å
83	G	98.8	Very high	97.9	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	149.4	-178.4	0	0	0	0	0	113	T58 K159 F160 F184	T58-G83 CarbonylContact O-C 3.52Å; T58-G83 WeakPolarHBondContact O-CA 3.42Å; G83-K159 CarbonylContact O-C 3.59Å; G83-K159 WeakPolarHBondContact O-CA 3.48Å; G83-F160 PolarHBondContact N-O 3.49Å; G83-F160 PolarHBondContact O-N 2.99Å; G83-F184 WeakPolarHBondContact O-CZ 3.35Å
84	H	97.6	Very high	98.1	Very high	60 Å²	60	40.9 Å²	40.9	28%	0.278	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	151.9	164.9	101.6	-171.3	0	0	0	111.2	G57 T58 I158 K159	G57-H84 CarbonylContact C-O 3.57Å; G57-H84 WeakPolarHBondContact CA-O 3.43Å; T58-H84 PolarHBondContact N-O 3.22Å; T58-H84 PolarHBondContact O-N 2.83Å; T58-H84 PolarHBondContact OG1-CD2 3.45Å; H84-I158 CarbonylContact C-O 3.56Å; H84-I158 WeakPolarHBondContact CA-O 3.43Å; H84-K159 HydrophobicContact CB-CD 4.11Å
85	L	98.6	Very high	98.2	Very high	15 Å²	15	35.5 Å²	35.5	8%	0.079	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	117.2	166	177.7	65.7	0	0	0	109.4	L55 I144 L154 I158 F160	L55-L85 HydrophobicContact CB-CD2 4.42Å; L55-L85 VanDerWaalsContact O-CD1 3.28Å; L55-L85 WeakPolarHBondContact O-CD1 3.42Å; L85-I144 HydrophobicContact CD2-CD1 4.37Å; L85-I144 HydrophobicContact CD2-CG2 3.49Å; L85-I144 VanDerWaalsContact CD2-CG2 3.49Å; L85-L154 HydrophobicContact CD2-CD2 3.98Å; L85-L154 HydrophobicContact CG-CD2 4.39Å; L85-I158 HydrophobicContact CB-CB 4.41Å; L85-I158 PolarHBondContact N-O 3.21Å; L85-I158 PolarHBondContact O-N 3.35Å; L85-F160 HydrophobicContact CB-CE2 3.92Å; L85-F160 HydrophobicContact CB-CZ 4.5Å
86	G	97.6	Very high	98.3	Very high	37 Å²	37	34.7 Å²	34.7	38%	0.381	22%	0.221	S	C	.	.			trans	81.3	152.6	-172.9	0	0	0	0	0	113.2	N157	G86-N157 VanDerWaalsContact C-OD1 3.31Å
87	S	97.2	Very high	98.4	Very high	98 Å²	98	30.7 Å²	30.7	69%	0.685	20%	0.195	S	C	*	.			trans	-150.9	28	177.6	53	0	0	0	0	111.7	P89 N157	S87-P89 WeakPolarHBondContact O-CD 3.47Å; S87-N157 PolarHBondContact N-OD1 3.23Å; S87-N157 VanDerWaalsContact N-OD1 3.16Å
88	D	98	Very high	98.4	Very high	65 Å²	65	30 Å²	30	35%	0.348	19%	0.192	S	C	.	.			trans	-74	114.7	-178.2	-176.1	-13	0	0	0	109.8	A90 K91 N157	D88-A90 PolarHBondContact O-N 3.49Å; D88-A90 VanDerWaalsContact O-N 3.11Å; D88-A90 WeakPolarHBondContact OD1-CB 3.36Å; D88-A90 PolarHBondContact OD1-N 2.81Å; D88-K91 HydrophobicContact CB-CB 4.34Å; D88-K91 HydrophobicContact CB-CD 3.94Å; D88-K91 HydrophobicContact CB-CG 4Å; D88-K91 PolarHBondContact O-N 3.37Å; D88-K91 WeakPolarHBondContact OD2-CE 3.45Å; D88-N157 PolarHBondContact N-OD1 2.97Å; D88-N157 PolarHBondContact O-ND2 3.04Å
89	P	97.1	Very high	98.4	Very high	131 Å²	131	29.8 Å²	29.8	85%	0.851	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-13.2	-178	29.3	-36.6	0	0	0	113.5	S87 K91	S87-P89 WeakPolarHBondContact O-CD 3.47Å; P89-K91 VanDerWaalsContact C-N 3.33Å
90	A	97.2	Very high	98.4	Very high	91 Å²	91	28.9 Å²	28.9	75%	0.752	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-12.7	174.1	0	0	0	0	0	113.1	D88	D88-A90 PolarHBondContact O-N 3.49Å; D88-A90 VanDerWaalsContact O-N 3.11Å; D88-A90 WeakPolarHBondContact OD1-CB 3.36Å; D88-A90 PolarHBondContact OD1-N 2.81Å
91	K	98.4	Very high	98.4	Very high	41 Å²	41	28.8 Å²	28.8	18%	0.178	18%	0.184	C	C	.	.	S	Bend	trans	-102.5	144.4	-179.3	-63.7	-178.7	-170.9	176.3	0	110.9	D88 P89 D153 L154 N157	D88-K91 HydrophobicContact CB-CB 4.34Å; D88-K91 HydrophobicContact CB-CD 3.94Å; D88-K91 HydrophobicContact CB-CG 4Å; D88-K91 PolarHBondContact O-N 3.37Å; D88-K91 WeakPolarHBondContact OD2-CE 3.45Å; P89-K91 VanDerWaalsContact C-N 3.33Å; K91-D153 WeakPolarHBondContact CE-OD2 3.49Å; K91-D153 IonicContact NZ-OD1 3.99Å; K91-D153 PolarHBondContact NZ-OD1 2.85Å; K91-D153 IonicContact NZ-OD2 2.64Å; K91-D153 PolarHBondContact NZ-OD2 2.93Å; K91-L154 WeakPolarHBondContact CE-O 3.3Å; K91-L154 PolarHBondContact NZ-O 3.46Å; K91-N157 PolarHBondContact O-ND2 2.81Å
92	K	98.6	Very high	98.4	Very high	52 Å²	52	28.8 Å²	28.8	23%	0.226	18%	0.184	C	C	.	.			trans	-64.5	147.6	169.2	-53.8	-71.7	178.4	162.3	0	109.6	I156 N157 D189 Y190 V470 L473 E474	K92-I156 WeakPolarHBondContact O-CA 3.34Å; K92-I156 WeakPolarHBondContact O-CB 3.4Å; K92-N157 PolarHBondContact O-N 3.45Å; K92-D189 WeakPolarHBondContact CA-OD2 3.21Å; K92-Y190 HydrophobicContact CB-CE2 4.23Å; K92-Y190 HydrophobicContact CD-CE2 4.31Å; K92-Y190 HydrophobicContact CG-CE2 4.28Å; K92-V470 HydrophobicContact CB-CG1 4.14Å; K92-L473 VanDerWaalsContact CE-O 3.29Å; K92-L473 WeakPolarHBondContact CE-O 3.44Å; K92-E474 PolarHBondContact NZ-O 3.34Å; K92-E474 VanDerWaalsContact NZ-O 3.15Å; K92-E474 PolarHBondContact NZ-OXT 3.19Å
93	T	98.9	Very high	98.4	Very high	10 Å²	10	30.7 Å²	30.7	6%	0.061	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	123	176.4	-56.4	0	0	0	0	111	N157 K159 D187 V188 D189 Y190	T93-N157 WeakPolarHBondContact CA-O 3.42Å; T93-N157 HydrophobicContact CG2-CB 4.23Å; T93-K159 HydrophobicContact CG2-CG 3.66Å; T93-D187 WeakPolarHBondContact CB-O 3.32Å; T93-D187 PolarHBondContact OG1-O 2.89Å; T93-D187 VanDerWaalsContact OG1-O 3.13Å; T93-V188 HydrophobicContact CG2-CG2 4.29Å; T93-D189 PolarHBondContact N-OD2 3.33Å; T93-D189 PolarHBondContact O-N 3.12Å; T93-Y190 PolarHBondContact O-N 3.45Å
94	V	98.9	Very high	98.4	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	128.2	173.9	-177.9	0	0	0	0	110.1	I96 I156 N157 I158 K159 Y190 C192 Y466 V470	V94-I96 HydrophobicContact CG1-CG1 4.19Å; V94-I156 HydrophobicContact CB-CD1 3.78Å; V94-I156 HydrophobicContact CG2-CD1 3.48Å; V94-I156 VanDerWaalsContact CG2-CD1 3.48Å; V94-N157 PolarHBondContact N-O 3.19Å; V94-I158 WeakPolarHBondContact O-CA 3.44Å; V94-K159 PolarHBondContact O-N 3.33Å; V94-Y190 CarbonylContact C-O 3.58Å; V94-Y190 WeakPolarHBondContact CA-O 3.29Å; V94-C192 HydrophobicContact CG1-CB 4.01Å; V94-Y466 HydrophobicContact CG1-CE1 4.23Å; V94-V470 HydrophobicContact CG2-CG1 3.86Å
95	C	98.9	Very high	98.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	121.8	164.9	-175.1	0	0	0	0	109.5	K159 V188 Y190 V191 C192	C95-K159 CarbonylContact C-O 3.56Å; C95-K159 VanDerWaalsContact CA-O 3.29Å; C95-K159 WeakPolarHBondContact CA-O 3.18Å; C95-K159 HydrophobicContact CB-CB 4.4Å; C95-V188 HydrophobicContact CB-CG1 3.68Å; C95-V188 HydrophobicContact CB-CG2 3.93Å; C95-Y190 PolarHBondContact N-O 2.99Å; C95-V191 HydrophobicContact CB-CG1 4.41Å; C95-V191 HydrophobicContact CB-CG2 4.14Å; C95-V191 CarbonylContact O-C 3.56Å; C95-V191 WeakPolarHBondContact O-CA 3.32Å; C95-C192 PolarHBondContact O-N 3.24Å
96	I	98.9	Very high	98.3	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	125.1	175.2	-59.9	176.4	0	0	0	107.8	V94 W140 I158 K159 F160 C161 F162 C192 F467	V94-I96 HydrophobicContact CG1-CG1 4.19Å; I96-W140 HydrophobicContact CD1-CD2 3.86Å; I96-W140 HydrophobicContact CD1-CE3 3.75Å; I96-W140 HydrophobicContact CD1-CG 4.28Å; I96-W140 HydrophobicContact CD1-CZ3 4.14Å; I96-W140 HydrophobicContact CG2-CD2 3.88Å; I96-W140 HydrophobicContact CG2-CG 3.82Å; I96-W140 HydrophobicContact CG2-CZ2 4.18Å; I96-I158 HydrophobicContact CD1-CD1 4.22Å; I96-I158 HydrophobicContact CD1-CG2 3.58Å; I96-I158 HydrophobicContact CG1-CG2 4.01Å; I96-K159 PolarHBondContact N-O 3.37Å; I96-F160 HydrophobicContact CB-CD1 4.4Å; I96-F160 HydrophobicContact CD1-CE1 4.28Å; I96-C161 PolarHBondContact O-N 3.26Å; I96-F162 HydrophobicContact CG2-CE1 4.08Å; I96-F162 HydrophobicContact CG2-CZ 4.26Å; I96-C192 WeakPolarHBondContact CA-O 3.31Å; I96-F467 HydrophobicContact CD1-CE1 3.93Å; I96-F467 HydrophobicContact CD1-CZ 3.8Å
97	Y	98.9	Very high	98.3	Very high	0 Å²	0	34 Å²	34	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	152.8	170.5	164.9	-82.9	0	0	0	111.3	C161 E163 E166 L173 C192 I193 I418 V420 F424	Y97-C161 VanDerWaalsContact CA-O 3.3Å; Y97-C161 WeakPolarHBondContact CA-O 3.25Å; Y97-C161 WeakPolarHBondContact CD2-O 3.26Å; Y97-E163 HydrophobicContact CE2-CG 3.95Å; Y97-E163 PolarHBondContact OH-OE1 3.14Å; Y97-E166 VanDerWaalsContact OH-CG 3.28Å; Y97-E166 WeakPolarHBondContact OH-CG 3.3Å; Y97-L173 HydrophobicContact CD2-CD2 4.43Å; Y97-L173 HydrophobicContact CE2-CD2 3.65Å; Y97-C192 PolarHBondContact N-O 3.34Å; Y97-I193 HydrophobicContact CD1-CD1 3.7Å; Y97-I193 HydrophobicContact CD1-CG1 3.87Å; Y97-I193 HydrophobicContact CD1-CG2 3.94Å; Y97-I193 HydrophobicContact CG-CD1 4.33Å; Y97-I193 HydrophobicContact CG-CG1 4.38Å; Y97-I418 HydrophobicContact CE1-CG2 3.77Å; Y97-V420 HydrophobicContact CD1-CG1 3.91Å; Y97-V420 HydrophobicContact CD2-CG1 3.92Å; Y97-V420 HydrophobicContact CE1-CG1 3.59Å; Y97-V420 HydrophobicContact CE2-CG1 3.61Å; Y97-V420 HydrophobicContact CG-CG1 4.06Å; Y97-V420 VanDerWaalsContact CZ-CG1 3.42Å; Y97-F424 HydrophobicContact CD1-CE2 4.49Å; Y97-F424 AromaticContact CD2-CE2 3.75Å; Y97-F424 HydrophobicContact CD2-CE2 3.75Å; Y97-F424 HydrophobicContact CD2-CZ 4.04Å; Y97-F424 AromaticContact CG-CE2 3.67Å; Y97-F424 HydrophobicContact CG-CE2 3.67Å; Y97-F424 HydrophobicContact CG-CZ 4.26Å
98	G	98.8	Very high	98.3	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.2	174.2	173.2	0	0	0	0	0	109.1	D133 F162 E163	G98-D133 VanDerWaalsContact CA-OD2 3.26Å; G98-D133 WeakPolarHBondContact CA-OD2 3.3Å; G98-F162 WeakPolarHBondContact O-CA 3.47Å; G98-E163 PolarHBondContact O-N 3.44Å
99	H	98.9	Very high	98.1	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	160	179	68.4	95.4	0	0	0	112.4	D101 D132 D133 E163 E166 D195	H99-D101 PolarHBondContact CE1-O 3.44Å; H99-D101 IonicContact CG-OD1 3.19Å; H99-D101 PolarHBondContact ND1-O 2.82Å; H99-D101 IonicContact ND1-OD1 3.76Å; H99-D132 IonicContact CE1-OD1 3.91Å; H99-D132 PolarHBondContact CE1-OD1 3.26Å; H99-D132 IonicContact NE2-OD1 3.35Å; H99-D132 PolarHBondContact NE2-OD1 2.84Å; H99-D132 VanDerWaalsContact NE2-OD1 3.11Å; H99-D133 PolarHBondContact N-OD2 3.47Å; H99-D133 WeakPolarHBondContact NE2-CB 3.46Å; H99-E163 HydrophobicContact CB-CG 3.92Å; H99-E166 HydrophobicContact CB-CB 3.53Å; H99-E166 HydrophobicContact CB-CG 4.25Å; H99-E166 VanDerWaalsContact CG-CB 3.46Å; H99-D195 IonicContact CD2-OD2 3.2Å; H99-D195 PolarHBondContact CD2-OD2 3.47Å; H99-D195 VanDerWaalsContact CD2-OD2 3.32Å; H99-D195 IonicContact NE2-OD1 2.59Å; H99-D195 IonicContact NE2-OD2 3.1Å; H99-D195 PolarHBondContact NE2-OD2 3.15Å
100	L	98.9	Very high	98.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.192	C	C	.	.			trans	-122.8	-8.3	-173.2	-66.9	176.8	0	0	0	112.9	W25 S30 M44 M45 A48 I81 V137 F162 E163	W25-L100 HydrophobicContact CE3-CD2 4.02Å; W25-L100 HydrophobicContact CH2-CD2 3.91Å; W25-L100 HydrophobicContact CZ3-CD2 3.3Å; S30-L100 VanDerWaalsContact CB-O 3.27Å; S30-L100 WeakPolarHBondContact CB-O 3.47Å; S30-L100 PolarHBondContact OG-O 3.24Å; M44-L100 HydrophobicContact CG-CB 3.84Å; M44-L100 HydrophobicContact CG-CD2 4.39Å; M44-L100 HydrophobicContact CG-CG 4.49Å; M45-L100 HydrophobicContact CE-CD1 4.1Å; M45-L100 HydrophobicContact SD-CB 3.79Å; M45-L100 HydrophobicContact SD-CD1 3.62Å; M45-L100 HydrophobicContact SD-CG 4.24Å; A48-L100 HydrophobicContact CB-CD1 3.43Å; A48-L100 VanDerWaalsContact CB-CD1 3.43Å; I81-L100 HydrophobicContact CD1-CD1 4.02Å; L100-V137 HydrophobicContact CD2-CB 4.43Å; L100-V137 HydrophobicContact CD2-CG1 4.03Å; L100-F162 HydrophobicContact CD1-CB 4.27Å; L100-E163 PolarHBondContact N-O 3.3Å
101	D	98.8	Very high	98.2	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.158	C	C	.	.			trans	-80.1	162	163	66.5	-53.9	0	0	0	112	S30 S32 I41 H99 G164 M165 E166 E167	S30-D101 CarbonylContact O-C 3.51Å; S30-D101 WeakPolarHBondContact O-CA 3.34Å; S30-D101 VanDerWaalsContact O-CB 3.31Å; S30-D101 WeakPolarHBondContact O-CB 3.27Å; S32-D101 WeakPolarHBondContact CB-OD2 3.04Å; S32-D101 PolarHBondContact OG-OD2 3.02Å; I41-D101 HydrophobicContact CG2-CB 4.44Å; H99-D101 PolarHBondContact CE1-O 3.44Å; H99-D101 IonicContact CG-OD1 3.19Å; H99-D101 PolarHBondContact ND1-O 2.82Å; H99-D101 IonicContact ND1-OD1 3.76Å; D101-G164 VanDerWaalsContact CB-O 3.29Å; D101-G164 WeakPolarHBondContact CB-O 3.45Å; D101-G164 VanDerWaalsContact CG-O 3.3Å; D101-G164 VanDerWaalsContact OD1-CA 3.29Å; D101-G164 WeakPolarHBondContact OD1-CA 3.46Å; D101-M165 PolarHBondContact OD1-N 2.79Å; D101-M165 WeakPolarHBondContact OD2-CA 3.33Å; D101-E166 PolarHBondContact OD1-N 3.42Å; D101-E166 VanDerWaalsContact OD1-N 3.14Å; D101-E166 PolarHBondContact OD2-N 3.21Å; D101-E167 WeakPolarHBondContact OD2-CB 3.45Å; D101-E167 PolarHBondContact OD2-N 3.3Å
102	V	98.9	Very high	98.1	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-140.7	155.7	-176	-60.2	0	0	0	0	110.8	S30 V31 F116 R128 K134	S30-V102 PolarHBondContact O-N 3.35Å; V31-V102 WeakPolarHBondContact CA-O 3.35Å; V31-V102 HydrophobicContact CG2-CG2 4.08Å; V102-F116 HydrophobicContact CG2-CE1 4.06Å; V102-R128 HydrophobicContact CB-CG 4.06Å; V102-R128 HydrophobicContact CG2-CG 3.9Å; V102-K134 HydrophobicContact CG1-CD 4.24Å; V102-K134 HydrophobicContact CG1-CG 4.46Å
103	Q	98.6	Very high	98.1	Very high	45 Å²	45	32 Å²	32	21%	0.21	18%	0.177	C	C	.	.			trans	-57.2	154.4	169.2	-75.4	-57.9	-25.1	0	0	113.3	R128 E167 H445	Q103-R128 WeakPolarHBondContact O-CD 3.42Å; Q103-R128 WeakPolarHBondContact O-CG 3.47Å; Q103-R128 PolarHBondContact O-NE 3.44Å; Q103-R128 VanDerWaalsContact O-NE 3.17Å; Q103-E167 WeakPolarHBondContact CG-OE1 3.29Å; Q103-E167 PolarHBondContact N-OE1 2.8Å; Q103-E167 PolarHBondContact NE2-OE2 3.44Å; Q103-H445 HydrophobicContact CG-CB 4.21Å; Q103-H445 VanDerWaalsContact CG-CD2 3.45Å; Q103-H445 WeakPolarHBondContact CG-CD2 3.44Å
104	P	98.3	Very high	98.1	Very high	35 Å²	35	37.3 Å²	37.3	23%	0.227	20%	0.201	C	C	.	.			trans	-51.4	149.5	165.2	-28.3	38.3	0	0	0	113.4	V31 A33 W34 R128	V31-P104 HydrophobicContact CG1-CB 4.24Å; V31-P104 HydrophobicContact CG1-CG 3.73Å; A33-P104 HydrophobicContact CB-CG 3.89Å; W34-P104 HydrophobicContact CH2-CB 4.44Å; W34-P104 HydrophobicContact CZ2-CB 3.61Å; W34-P104 HydrophobicContact CZ2-CG 4.47Å; P104-R128 PolarHBondContact O-NE 3.33Å; P104-R128 PolarHBondContact O-NH2 2.83Å; P104-R128 VanDerWaalsContact O-NH2 3.12Å
105	A	98.3	Very high	98.1	Very high	3 Å²	3	37.4 Å²	37.4	3%	0.025	20%	0.202	C	C	.	.			trans	-157.3	134.5	168.4	0	0	0	0	0	110.5	W111 P115 F116 R128	A105-W111 HydrophobicContact CB-CZ2 3.83Å; A105-P115 HydrophobicContact CB-CB 3.49Å; A105-P115 VanDerWaalsContact CB-CB 3.49Å; A105-P115 HydrophobicContact CB-CG 3.88Å; A105-F116 HydrophobicContact CB-CE2 4.4Å; A105-F116 HydrophobicContact CB-CZ 4.43Å; A105-F116 WeakPolarHBondContact O-CE2 3.42Å; A105-R128 HydrophobicContact CB-CB 3.94Å; A105-R128 HydrophobicContact CB-CG 4.05Å
106	Q	97.1	Very high	98.1	Very high	95 Å²	95	38.3 Å²	38.3	44%	0.444	21%	0.206	S	C	.	.			trans	-131	154.1	173.2	-61.6	-174.2	-7	0	0	109.6	W34 E108 D109	W34-Q106 HydrophobicContact CH2-CG 3.95Å; W34-Q106 HydrophobicContact CZ2-CG 4.13Å; Q106-E108 WeakPolarHBondContact CB-OE2 3.43Å; Q106-E108 PolarHBondContact O-N 3.05Å; Q106-D109 PolarHBondContact N-OD2 3.18Å; Q106-D109 WeakPolarHBondContact O-CB 3.34Å; Q106-D109 PolarHBondContact O-N 3.13Å; Q106-D109 VanDerWaalsContact O-N 3.16Å
107	V	97.6	Very high	98.1	Very high	49 Å²	49	42.2 Å²	42.2	30%	0.297	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-59.9	-37.9	177.9	172	0	0	0	0	110.4	D109 G110 W111 E114	V107-D109 PolarHBondContact O-N 2.99Å; V107-D109 VanDerWaalsContact O-N 3.16Å; V107-G110 PolarHBondContact O-N 3.46Å; V107-W111 PolarHBondContact O-N 3.27Å; V107-W111 VanDerWaalsContact O-N 3.13Å; V107-E114 WeakPolarHBondContact CG2-OE2 3.27Å
108	E	96.2	Very high	98	Very high	155 Å²	155	43.8 Å²	43.8	72%	0.724	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-63.1	-18.7	-179.3	-62.1	72.7	-160.2	0	0	113.4	Q106 G110	Q106-E108 WeakPolarHBondContact CB-OE2 3.43Å; Q106-E108 PolarHBondContact O-N 3.05Å; E108-G110 PolarHBondContact O-N 3.28Å
109	D	94	Very high	98	Very high	76 Å²	76	45.9 Å²	45.9	41%	0.406	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-67.9	-14.3	173.5	-59.8	-31.7	0	0	0	111.8	Q106 V107 Q447	Q106-D109 PolarHBondContact N-OD2 3.18Å; Q106-D109 WeakPolarHBondContact O-CB 3.34Å; Q106-D109 PolarHBondContact O-N 3.13Å; Q106-D109 VanDerWaalsContact O-N 3.16Å; V107-D109 PolarHBondContact O-N 2.99Å; V107-D109 VanDerWaalsContact O-N 3.16Å; D109-Q447 HydrophobicContact CB-CG 4.25Å; D109-Q447 WeakPolarHBondContact O-CG 3.4Å; D109-Q447 PolarHBondContact O-NE2 3.47Å
110	G	97.1	Very high	98	Very high	46 Å²	46	49.8 Å²	49.8	47%	0.474	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	111.7	29.8	-179.2	0	0	0	0	0	113.9	V107 E108	V107-G110 PolarHBondContact O-N 3.46Å; E108-G110 PolarHBondContact O-N 3.28Å
111	W	98.3	Very high	98	Very high	13 Å²	13	54 Å²	54	5%	0.049	29%	0.287	C	S	.	.			trans	-80.2	142.1	175.8	-74.5	72.5	0	0	0	112.1	A105 V107 T113 P115 R128 S446 Q447 N448 E449	A105-W111 HydrophobicContact CB-CZ2 3.83Å; V107-W111 PolarHBondContact O-N 3.27Å; V107-W111 VanDerWaalsContact O-N 3.13Å; W111-T113 VanDerWaalsContact C-N 3.31Å; W111-T113 WeakPolarHBondContact CB-O 3.41Å; W111-P115 HydrophobicContact CB-CG 4.28Å; W111-P115 HydrophobicContact CD2-CB 3.92Å; W111-P115 HydrophobicContact CD2-CG 3.71Å; W111-P115 HydrophobicContact CE3-CB 4.07Å; W111-P115 HydrophobicContact CE3-CG 4.2Å; W111-P115 HydrophobicContact CG-CB 4.48Å; W111-P115 HydrophobicContact CG-CG 3.76Å; W111-P115 HydrophobicContact CH2-CB 4.21Å; W111-P115 HydrophobicContact CZ2-CB 4.07Å; W111-P115 HydrophobicContact CZ3-CB 4.22Å; W111-R128 HydrophobicContact CH2-CB 4.04Å; W111-R128 HydrophobicContact CZ2-CB 4.23Å; W111-S446 WeakPolarHBondContact CZ2-O 3.46Å; W111-Q447 HydrophobicContact CG-CB 4.47Å; W111-N448 WeakPolarHBondContact CA-OD1 3.33Å; W111-E449 HydrophobicContact CH2-CB 3.74Å; W111-E449 HydrophobicContact CZ2-CB 4.41Å
112	D	98.2	Very high	97.9	Very high	126 Å²	126	61.6 Å²	61.6	67%	0.674	33%	0.328	S	S	*	.	S	Bend	trans	-82	-11.7	176.3	-66.1	-19.8	0	0	0	112.7	N448	D112-N448 PolarHBondContact N-OD1 2.94Å; D112-N448 PolarHBondContact OD2-ND2 3.28Å
113	T	97.8	Very high	97.9	Very high	20 Å²	20	63 Å²	63	12%	0.123	34%	0.343	C	S	.	.	S	Bend	trans	-145.3	159.5	179.6	55.5	0	0	0	0	110.4	W111 P115 V119	W111-T113 VanDerWaalsContact C-N 3.31Å; W111-T113 WeakPolarHBondContact CB-O 3.41Å; T113-P115 WeakPolarHBondContact O-CD 3.39Å; T113-P115 VanDerWaalsContact O-N 3.16Å; T113-V119 HydrophobicContact CG2-CB 4.3Å; T113-V119 HydrophobicContact CG2-CG2 4.18Å
114	E	98.5	Very high	97.9	Very high	120 Å²	120	64 Å²	64	56%	0.561	35%	0.346	S	S	*	.			trans	-53.4	118.2	170.8	-73.5	-63.3	156.3	0	0	111	V107 F116 T117	V107-E114 WeakPolarHBondContact CG2-OE2 3.27Å; E114-F116 VanDerWaalsContact C-N 3.25Å; E114-F116 PolarHBondContact O-N 3.47Å; E114-F116 VanDerWaalsContact O-N 3.16Å; E114-T117 PolarHBondContact O-N 3.05Å
115	P	98.6	Very high	97.9	Very high	3 Å²	3	62.3 Å²	62.3	2%	0.019	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-32.9	-170	-24.7	30.7	0	0	0	114.2	A105 W111 T113 G127 R128	A105-P115 HydrophobicContact CB-CB 3.49Å; A105-P115 VanDerWaalsContact CB-CB 3.49Å; A105-P115 HydrophobicContact CB-CG 3.88Å; W111-P115 HydrophobicContact CB-CG 4.28Å; W111-P115 HydrophobicContact CD2-CB 3.92Å; W111-P115 HydrophobicContact CD2-CG 3.71Å; W111-P115 HydrophobicContact CE3-CB 4.07Å; W111-P115 HydrophobicContact CE3-CG 4.2Å; W111-P115 HydrophobicContact CG-CB 4.48Å; W111-P115 HydrophobicContact CG-CG 3.76Å; W111-P115 HydrophobicContact CH2-CB 4.21Å; W111-P115 HydrophobicContact CZ2-CB 4.07Å; W111-P115 HydrophobicContact CZ3-CB 4.22Å; T113-P115 WeakPolarHBondContact O-CD 3.39Å; T113-P115 VanDerWaalsContact O-N 3.16Å; P115-G127 CarbonylContact O-C 3.58Å; P115-G127 VanDerWaalsContact O-CA 3.27Å; P115-G127 WeakPolarHBondContact O-CA 3.47Å; P115-R128 HydrophobicContact CB-CB 4.23Å; P115-R128 PolarHBondContact O-N 3.16Å
116	F	98.8	Very high	98	Very high	19 Å²	19	64.2 Å²	64.2	8%	0.083	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	21.8	-179.3	-59.6	-77.7	0	0	0	112.8	A27 Q29 V31 W34 V102 A105 E114 R128	A27-F116 VanDerWaalsContact CA-O 3.32Å; A27-F116 WeakPolarHBondContact CA-O 3.4Å; Q29-F116 HydrophobicContact CB-CD1 4.29Å; Q29-F116 HydrophobicContact CB-CE1 4.25Å; Q29-F116 HydrophobicContact CB-CG 4.49Å; Q29-F116 HydrophobicContact CB-CZ 4.43Å; Q29-F116 HydrophobicContact CG-CB 3.96Å; Q29-F116 HydrophobicContact CG-CD1 3.79Å; Q29-F116 HydrophobicContact CG-CD2 3.8Å; Q29-F116 HydrophobicContact CG-CE1 4.19Å; Q29-F116 HydrophobicContact CG-CE2 4.2Å; Q29-F116 HydrophobicContact CG-CG 3.58Å; Q29-F116 HydrophobicContact CG-CZ 4.39Å; V31-F116 HydrophobicContact CG2-CE1 4.14Å; V31-F116 HydrophobicContact CG2-CZ 3.63Å; W34-F116 HydrophobicContact CZ3-CE2 4.49Å; V102-F116 HydrophobicContact CG2-CE1 4.06Å; A105-F116 HydrophobicContact CB-CE2 4.4Å; A105-F116 HydrophobicContact CB-CZ 4.43Å; A105-F116 WeakPolarHBondContact O-CE2 3.42Å; E114-F116 VanDerWaalsContact C-N 3.25Å; E114-F116 PolarHBondContact O-N 3.47Å; E114-F116 VanDerWaalsContact O-N 3.16Å; F116-R128 HydrophobicContact CD1-CB 4.36Å; F116-R128 HydrophobicContact CE1-CB 4.02Å; F116-R128 HydrophobicContact CE1-CG 3.8Å; F116-R128 HydrophobicContact CZ-CB 4.39Å; F116-R128 HydrophobicContact CZ-CG 4.09Å
117	T	98.8	Very high	98.1	Very high	82 Å²	82	59.7 Å²	59.7	50%	0.503	32%	0.321	S	S	.	.	S	Bend	trans	-122.4	109.8	167	-61.4	0	0	0	0	107.9	E114 V119	E114-T117 PolarHBondContact O-N 3.05Å; T117-V119 HydrophobicContact CG2-CG2 4.49Å; T117-V119 PolarHBondContact O-N 2.83Å
118	L	98.8	Very high	98.1	Very high	32 Å²	32	57.7 Å²	57.7	17%	0.168	31%	0.308	C	S	.	.			trans	-65.6	124.1	-178.7	-167.7	84.5	0	0	0	110.5	V19 L22 V26 L125 Y126	V19-L118 HydrophobicContact CG1-CD2 4.27Å; L22-L118 HydrophobicContact CB-CD2 4.22Å; L22-L118 HydrophobicContact CD2-CD1 4.47Å; L22-L118 HydrophobicContact CD2-CD2 4.26Å; L22-L118 HydrophobicContact CG-CD1 4.4Å; L22-L118 HydrophobicContact CG-CD2 4.03Å; V26-L118 HydrophobicContact CB-CB 4.37Å; V26-L118 HydrophobicContact CB-CD1 4.47Å; V26-L118 HydrophobicContact CG1-CB 4.29Å; V26-L118 HydrophobicContact CG1-CD1 4.46Å; V26-L118 HydrophobicContact CG2-CD1 4.03Å; L118-L125 HydrophobicContact CD1-CB 4.07Å; L118-L125 HydrophobicContact CD2-CB 4.29Å; L118-L125 HydrophobicContact CG-CB 4.36Å; L118-Y126 CarbonylContact C-O 3.5Å; L118-Y126 VanDerWaalsContact CA-O 3.27Å; L118-Y126 WeakPolarHBondContact CA-O 3.39Å; L118-Y126 WeakPolarHBondContact CD1-O 3.49Å
119	V	98.7	Very high	98.2	Very high	45 Å²	45	50.3 Å²	50.3	27%	0.273	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	126.6	177.4	-176.5	0	0	0	0	110	T113 T117 K121 Y126	T113-V119 HydrophobicContact CG2-CB 4.3Å; T113-V119 HydrophobicContact CG2-CG2 4.18Å; T117-V119 HydrophobicContact CG2-CG2 4.49Å; T117-V119 PolarHBondContact O-N 2.83Å; V119-K121 HydrophobicContact CG1-CG 4.01Å; V119-Y126 PolarHBondContact N-O 3.15Å; V119-Y126 PolarHBondContact O-N 3.48Å
120	E	98.6	Very high	98.5	Very high	81 Å²	81	46.7 Å²	46.7	38%	0.379	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	123.6	170.5	-173	169.8	-174.4	0	0	110.7	K124 L125 R453	E120-K124 CarbonylContact C-O 3.54Å; E120-K124 VanDerWaalsContact CA-O 3.26Å; E120-K124 WeakPolarHBondContact CA-O 3.4Å; E120-L125 HydrophobicContact CB-CD2 3.76Å; E120-L125 HydrophobicContact CG-CD2 3.71Å; E120-R453 WeakPolarHBondContact OE1-CD 3.19Å; E120-R453 IonicContact OE1-CZ 3.7Å; E120-R453 IonicContact OE1-NE 3.1Å; E120-R453 IonicContact OE1-NH1 3.67Å; E120-R453 PolarHBondContact OE1-NH1 2.97Å; E120-R453 IonicContact OE2-NH1 2.83Å; E120-R453 PolarHBondContact OE2-NH1 2.89Å; E120-R453 VanDerWaalsContact OE2-NH1 3.1Å
121	K	98.3	Very high	98.6	Very high	88 Å²	88	44.6 Å²	44.6	38%	0.383	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	129	169.7	-59.2	176.9	-177.4	171.5	0	109.4	V119 G123 K124 Y126	V119-K121 HydrophobicContact CG1-CG 4.01Å; K121-G123 PolarHBondContact O-N 3.42Å; K121-K124 PolarHBondContact N-O 2.86Å; K121-K124 VanDerWaalsContact O-CB 3.27Å; K121-K124 WeakPolarHBondContact O-CB 3.31Å; K121-K124 PolarHBondContact O-N 3.5Å; K121-Y126 HydrophobicContact CB-CD2 4.27Å; K121-Y126 HydrophobicContact CB-CE2 3.94Å
122	D	97.4	Very high	98.6	Very high	160 Å²	160	44.1 Å²	44.1	86%	0.856	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.1	39.3	178.7	-54.6	-42.7	0	0	0	114.2	K124	D122-K124 VanDerWaalsContact C-N 3.29Å; D122-K124 PolarHBondContact O-N 3.07Å
123	G	98.2	Very high	98.6	Very high	31 Å²	31	38.2 Å²	38.2	32%	0.32	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.7	15.9	-178.3	0	0	0	0	0	114.7	K121 R453	K121-G123 PolarHBondContact O-N 3.42Å; G123-R453 WeakPolarHBondContact O-CB 3.29Å; G123-R453 PolarHBondContact O-N 3.26Å
124	K	98.8	Very high	98.7	Very high	65 Å²	65	37.2 Å²	37.2	28%	0.283	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	129.7	178.9	-56.1	176.1	175.7	-178.6	0	110	E120 K121 D122 Y126 K450 N452	E120-K124 CarbonylContact C-O 3.54Å; E120-K124 VanDerWaalsContact CA-O 3.26Å; E120-K124 WeakPolarHBondContact CA-O 3.4Å; K121-K124 PolarHBondContact N-O 2.86Å; K121-K124 VanDerWaalsContact O-CB 3.27Å; K121-K124 WeakPolarHBondContact O-CB 3.31Å; K121-K124 PolarHBondContact O-N 3.5Å; D122-K124 VanDerWaalsContact C-N 3.29Å; D122-K124 PolarHBondContact O-N 3.07Å; K124-Y126 HydrophobicContact CB-CD2 4.15Å; K124-Y126 HydrophobicContact CB-CE2 3.51Å; K124-Y126 HydrophobicContact CD-CE2 4.24Å; K124-Y126 WeakPolarHBondContact CD-OH 3.36Å; K124-Y126 HydrophobicContact CG-CE2 4.5Å; K124-Y126 WeakPolarHBondContact O-CD2 3.19Å; K124-K450 HydrophobicContact CB-CB 4.4Å; K124-K450 HydrophobicContact CB-CD 3.8Å; K124-K450 HydrophobicContact CB-CG 4.36Å; K124-K450 HydrophobicContact CD-CD 4.1Å; K124-K450 HydrophobicContact CG-CD 3.95Å; K124-N452 WeakPolarHBondContact CG-OD1 3.5Å
125	L	98.9	Very high	98.7	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	94	-177.1	-50.9	175.9	0	0	0	108.6	V19 L22 L118 E120 S130 K450 L451 R453 Y456	V19-L125 HydrophobicContact CG1-CD1 4.38Å; V19-L125 HydrophobicContact CG1-CD2 3.75Å; V19-L125 HydrophobicContact CG2-CD1 3.95Å; V19-L125 HydrophobicContact CG2-CD2 4.22Å; L22-L125 HydrophobicContact CD2-CD1 4Å; L118-L125 HydrophobicContact CD1-CB 4.07Å; L118-L125 HydrophobicContact CD2-CB 4.29Å; L118-L125 HydrophobicContact CG-CB 4.36Å; E120-L125 HydrophobicContact CB-CD2 3.76Å; E120-L125 HydrophobicContact CG-CD2 3.71Å; L125-S130 WeakPolarHBondContact O-CB 3.34Å; L125-S130 PolarHBondContact O-OG 3.15Å; L125-K450 VanDerWaalsContact O-CA 3.26Å; L125-K450 WeakPolarHBondContact O-CA 3.36Å; L125-L451 VanDerWaalsContact CB-O 3.26Å; L125-L451 WeakPolarHBondContact CB-O 3.24Å; L125-L451 WeakPolarHBondContact CG-O 3.46Å; L125-L451 PolarHBondContact N-O 2.86Å; L125-L451 PolarHBondContact O-N 3.35Å; L125-R453 HydrophobicContact CD1-CB 4.4Å; L125-R453 HydrophobicContact CD2-CB 4.4Å; L125-R453 HydrophobicContact CG-CB 4.28Å; L125-Y456 HydrophobicContact CD1-CD1 4.03Å
126	Y	98.9	Very high	98.7	Very high	43 Å²	43	31.4 Å²	31.4	17%	0.169	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	131.3	-177.1	-67.7	-88.8	0	0	0	111.3	L118 V119 K121 K124 N448 E449 K450	L118-Y126 CarbonylContact C-O 3.5Å; L118-Y126 VanDerWaalsContact CA-O 3.27Å; L118-Y126 WeakPolarHBondContact CA-O 3.39Å; L118-Y126 WeakPolarHBondContact CD1-O 3.49Å; V119-Y126 PolarHBondContact N-O 3.15Å; V119-Y126 PolarHBondContact O-N 3.48Å; K121-Y126 HydrophobicContact CB-CD2 4.27Å; K121-Y126 HydrophobicContact CB-CE2 3.94Å; K124-Y126 HydrophobicContact CB-CD2 4.15Å; K124-Y126 HydrophobicContact CB-CE2 3.51Å; K124-Y126 HydrophobicContact CD-CE2 4.24Å; K124-Y126 WeakPolarHBondContact CD-OH 3.36Å; K124-Y126 HydrophobicContact CG-CE2 4.5Å; K124-Y126 WeakPolarHBondContact O-CD2 3.19Å; Y126-N448 HydrophobicContact CD1-CB 4.25Å; Y126-N448 WeakPolarHBondContact CD1-O 3.5Å; Y126-N448 HydrophobicContact CE1-CB 4.32Å; Y126-E449 WeakPolarHBondContact CA-O 3.41Å; Y126-K450 HydrophobicContact CD1-CB 3.59Å; Y126-K450 HydrophobicContact CD1-CG 4.4Å; Y126-K450 HydrophobicContact CE1-CB 3.74Å; Y126-K450 HydrophobicContact CE1-CG 4.05Å; Y126-K450 HydrophobicContact CG-CB 4.02Å
127	G	98.8	Very high	98.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.162	C	C	.	.	S	Bend	trans	164.7	146.8	174.9	0	0	0	0	0	111.8	P115 G129 S130 E449	P115-G127 CarbonylContact O-C 3.58Å; P115-G127 VanDerWaalsContact O-CA 3.27Å; P115-G127 WeakPolarHBondContact O-CA 3.47Å; G127-G129 PolarHBondContact O-N 2.88Å; G127-S130 WeakPolarHBondContact O-CB 3.49Å; G127-S130 PolarHBondContact O-N 2.89Å; G127-S130 PolarHBondContact O-OG 3.37Å; G127-E449 PolarHBondContact N-O 3.45Å
128	R	98.9	Very high	98.7	Very high	7 Å²	7	26.7 Å²	26.7	3%	0.026	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	124.5	177.2	170.2	58.1	78.3	-133.9	0.4	110	V102 Q103 P104 A105 W111 P115 F116 S130 S446 E449	V102-R128 HydrophobicContact CB-CG 4.06Å; V102-R128 HydrophobicContact CG2-CG 3.9Å; Q103-R128 WeakPolarHBondContact O-CD 3.42Å; Q103-R128 WeakPolarHBondContact O-CG 3.47Å; Q103-R128 PolarHBondContact O-NE 3.44Å; Q103-R128 VanDerWaalsContact O-NE 3.17Å; P104-R128 PolarHBondContact O-NE 3.33Å; P104-R128 PolarHBondContact O-NH2 2.83Å; P104-R128 VanDerWaalsContact O-NH2 3.12Å; A105-R128 HydrophobicContact CB-CB 3.94Å; A105-R128 HydrophobicContact CB-CG 4.05Å; W111-R128 HydrophobicContact CH2-CB 4.04Å; W111-R128 HydrophobicContact CZ2-CB 4.23Å; P115-R128 HydrophobicContact CB-CB 4.23Å; P115-R128 PolarHBondContact O-N 3.16Å; F116-R128 HydrophobicContact CD1-CB 4.36Å; F116-R128 HydrophobicContact CE1-CB 4.02Å; F116-R128 HydrophobicContact CE1-CG 3.8Å; F116-R128 HydrophobicContact CZ-CB 4.39Å; F116-R128 HydrophobicContact CZ-CG 4.09Å; R128-S130 VanDerWaalsContact C-N 3.34Å; R128-S446 PolarHBondContact NH1-O 3.48Å; R128-S446 PolarHBondContact NH2-O 2.78Å; R128-S446 VanDerWaalsContact NH2-O 3.07Å; R128-E449 WeakPolarHBondContact CA-OE2 3.16Å; R128-E449 WeakPolarHBondContact CD-OE2 3.36Å; R128-E449 IonicContact CZ-OE2 3.9Å; R128-E449 IonicContact NE-OE2 2.67Å; R128-E449 IonicContact NH1-OE2 3.69Å; R128-E449 PolarHBondContact NH1-OE2 2.86Å
129	G	98.8	Very high	98.7	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.1	11.1	-175.3	0	0	0	0	0	114.9	G127 T131 D132 K134 E449	G127-G129 PolarHBondContact O-N 2.88Å; G129-T131 VanDerWaalsContact C-N 3.31Å; G129-D132 WeakPolarHBondContact CA-O 3.45Å; G129-K134 WeakPolarHBondContact O-CB 3.45Å; G129-K134 PolarHBondContact O-N 2.84Å; G129-K134 VanDerWaalsContact O-N 3.1Å; G129-E449 VanDerWaalsContact CA-OE1 3.22Å; G129-E449 WeakPolarHBondContact CA-OE1 3.22Å; G129-E449 VanDerWaalsContact N-CD 3.29Å; G129-E449 PolarHBondContact N-OE1 2.88Å; G129-E449 PolarHBondContact N-OE2 3.42Å
130	S	98.9	Very high	98.7	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-40	173.7	58.5	0	0	0	0	112.1	L125 G127 R128 G135 E449 K450 L451	L125-S130 WeakPolarHBondContact O-CB 3.34Å; L125-S130 PolarHBondContact O-OG 3.15Å; G127-S130 WeakPolarHBondContact O-CB 3.49Å; G127-S130 PolarHBondContact O-N 2.89Å; G127-S130 PolarHBondContact O-OG 3.37Å; R128-S130 VanDerWaalsContact C-N 3.34Å; S130-G135 VanDerWaalsContact O-CA 3.24Å; S130-G135 WeakPolarHBondContact O-CA 3.49Å; S130-G135 PolarHBondContact O-N 2.77Å; S130-E449 PolarHBondContact N-OE1 2.92Å; S130-E449 PolarHBondContact OG-OE1 2.89Å; S130-K450 WeakPolarHBondContact OG-CA 3.29Å; S130-L451 WeakPolarHBondContact O-CD2 3.29Å; S130-L451 PolarHBondContact OG-N 3.41Å
131	T	98.9	Very high	98.7	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.006	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-20.9	177.4	-157.7	0	0	0	0	112.8	G129 P136 Y197 D442 A444 E449	G129-T131 VanDerWaalsContact C-N 3.31Å; T131-P136 WeakPolarHBondContact O-CD 3.42Å; T131-P136 WeakPolarHBondContact O-CG 3.38Å; T131-Y197 HydrophobicContact CG2-CE1 3.93Å; T131-D442 WeakPolarHBondContact CB-OD2 3.36Å; T131-D442 HydrophobicContact CG2-CB 3.66Å; T131-D442 PolarHBondContact OG1-OD2 2.67Å; T131-A444 HydrophobicContact CG2-CB 4.25Å; T131-E449 HydrophobicContact CG2-CG 3.76Å; T131-E449 PolarHBondContact N-OE1 2.88Å
132	D	98.8	Very high	98.8	Very high	4 Å²	4	15.1 Å²	15.1	2%	0.021	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-135.7	85.8	-167.6	-177.1	-0.9	0	0	0	111.4	H99 G129 Y197 A444 H445 E449	H99-D132 IonicContact CE1-OD1 3.91Å; H99-D132 PolarHBondContact CE1-OD1 3.26Å; H99-D132 IonicContact NE2-OD1 3.35Å; H99-D132 PolarHBondContact NE2-OD1 2.84Å; H99-D132 VanDerWaalsContact NE2-OD1 3.11Å; G129-D132 WeakPolarHBondContact CA-O 3.45Å; D132-Y197 PolarHBondContact OD2-OH 3.42Å; D132-A444 HydrophobicContact CB-CB 4.06Å; D132-A444 WeakPolarHBondContact OD2-CB 3.49Å; D132-H445 IonicContact OD2-CD2 3.47Å; D132-H445 PolarHBondContact OD2-CD2 3.33Å; D132-H445 IonicContact OD2-NE2 2.86Å; D132-H445 PolarHBondContact OD2-NE2 2.86Å; D132-E449 PolarHBondContact N-OE1 3.3Å
133	D	98.8	Very high	98.8	Very high	1 Å²	1	7.5 Å²	7.5	1%	0.005	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	cis	-128.4	19.8	-0.6	-174.2	31.6	0	0	0	111.9	G98 H99 G135 P136 V137	G98-D133 VanDerWaalsContact CA-OD2 3.26Å; G98-D133 WeakPolarHBondContact CA-OD2 3.3Å; H99-D133 PolarHBondContact N-OD2 3.47Å; H99-D133 WeakPolarHBondContact NE2-CB 3.46Å; D133-G135 PolarHBondContact O-N 3.01Å; D133-P136 WeakPolarHBondContact O-CD 3.29Å; D133-P136 WeakPolarHBondContact OD1-CB 3.29Å; D133-P136 WeakPolarHBondContact OD1-CG 3.43Å; D133-V137 WeakPolarHBondContact O-CB 2.85Å; D133-V137 VanDerWaalsContact O-CG2 3.28Å; D133-V137 WeakPolarHBondContact O-CG2 3.36Å; D133-V137 PolarHBondContact O-N 3.2Å; D133-V137 WeakPolarHBondContact OD2-CG2 3.48Å
134	K	98.9	Very high	98.8	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-67.2	-38.9	-173.4	-61.8	173.2	171	177.3	0	112.7	L22 W25 V26 V28 S30 V102 G129 L138	L22-K134 HydrophobicContact CD1-CB 4.1Å; W25-K134 HydrophobicContact CB-CB 4.42Å; W25-K134 HydrophobicContact CB-CD 4.24Å; W25-K134 HydrophobicContact CE3-CB 3.92Å; W25-K134 HydrophobicContact CE3-CG 4.2Å; W25-K134 WeakPolarHBondContact O-CE 3.36Å; W25-K134 PolarHBondContact O-NZ 2.75Å; V26-K134 HydrophobicContact CG2-CD 4.38Å; V28-K134 PolarHBondContact O-NZ 2.64Å; S30-K134 VanDerWaalsContact OG-CE 3.3Å; S30-K134 WeakPolarHBondContact OG-CE 3.42Å; S30-K134 PolarHBondContact OG-NZ 2.95Å; V102-K134 HydrophobicContact CG1-CD 4.24Å; V102-K134 HydrophobicContact CG1-CG 4.46Å; G129-K134 WeakPolarHBondContact O-CB 3.45Å; G129-K134 PolarHBondContact O-N 2.84Å; G129-K134 VanDerWaalsContact O-N 3.1Å; K134-L138 VanDerWaalsContact O-CB 3.31Å; K134-L138 WeakPolarHBondContact O-CB 3.29Å; K134-L138 WeakPolarHBondContact O-CG 3.42Å; K134-L138 PolarHBondContact O-N 3.3Å
135	G	98.9	Very high	98.8	Very high	0 Å²	0	3.7 Å²	3.7	0%	0	2%	0.016	C	C	.	.	H	α-helix	trans	-59.4	-57.3	177	0	0	0	0	0	112.1	S130 D133 L138 A139 Y456	S130-G135 VanDerWaalsContact O-CA 3.24Å; S130-G135 WeakPolarHBondContact O-CA 3.49Å; S130-G135 PolarHBondContact O-N 2.77Å; D133-G135 PolarHBondContact O-N 3.01Å; G135-L138 PolarHBondContact O-N 3Å; G135-A139 PolarHBondContact O-N 3.37Å; G135-Y456 VanDerWaalsContact O-CE2 3.23Å; G135-Y456 WeakPolarHBondContact O-CE2 3.13Å
136	P	98.9	Very high	98.8	Very high	1 Å²	1	3.7 Å²	3.7	1%	0.006	2%	0.016	C	C	.	.	H	α-helix	trans	-63.2	-39.2	178.1	-22.2	32.1	0	0	0	114.4	T131 D133 L138 A139 W140 S194 V437	T131-P136 WeakPolarHBondContact O-CD 3.42Å; T131-P136 WeakPolarHBondContact O-CG 3.38Å; D133-P136 WeakPolarHBondContact O-CD 3.29Å; D133-P136 WeakPolarHBondContact OD1-CB 3.29Å; D133-P136 WeakPolarHBondContact OD1-CG 3.43Å; P136-L138 PolarHBondContact O-N 3.04Å; P136-A139 WeakPolarHBondContact O-CB 3.4Å; P136-A139 PolarHBondContact O-N 3.17Å; P136-W140 PolarHBondContact O-N 3.16Å; P136-S194 WeakPolarHBondContact CB-O 3.41Å; P136-S194 WeakPolarHBondContact CB-OG 3.17Å; P136-V437 HydrophobicContact CB-CB 4.22Å; P136-V437 HydrophobicContact CB-CG2 4.3Å; P136-V437 HydrophobicContact CG-CB 4.08Å; P136-V437 HydrophobicContact CG-CG1 4.37Å
137	V	98.9	Very high	98.8	Very high	1 Å²	1	1.6 Å²	1.6	1%	0.006	1%	0.008	C	C	.	.	H	α-helix	trans	-59.7	-45.6	173.5	174.9	0	0	0	0	111.6	W25 L100 D133 A139 W140 F141 F162	W25-V137 HydrophobicContact CH2-CG1 3.77Å; W25-V137 HydrophobicContact CZ3-CB 4.04Å; W25-V137 HydrophobicContact CZ3-CG1 3.68Å; L100-V137 HydrophobicContact CD2-CB 4.43Å; L100-V137 HydrophobicContact CD2-CG1 4.03Å; D133-V137 WeakPolarHBondContact O-CB 2.85Å; D133-V137 VanDerWaalsContact O-CG2 3.28Å; D133-V137 WeakPolarHBondContact O-CG2 3.36Å; D133-V137 PolarHBondContact O-N 3.2Å; D133-V137 WeakPolarHBondContact OD2-CG2 3.48Å; V137-A139 PolarHBondContact O-N 3.45Å; V137-W140 WeakPolarHBondContact O-CB 2.99Å; V137-W140 PolarHBondContact O-N 2.88Å; V137-F141 HydrophobicContact CG1-CE2 4.44Å; V137-F141 PolarHBondContact O-N 2.85Å; V137-F162 HydrophobicContact CG1-CE1 4.13Å; V137-F162 HydrophobicContact CG1-CE2 4.13Å; V137-F162 HydrophobicContact CG1-CZ 3.9Å; V137-F162 HydrophobicContact CG2-CE1 4.37Å
138	L	98.8	Very high	98.8	Very high	1 Å²	1	5.6 Å²	5.6	1%	0.005	3%	0.026	C	C	.	.	H	α-helix	trans	-62.9	-32.1	174.2	-86.4	170.5	0	0	0	112.5	R21 L22 W25 K134 G135 P136 W140 F141 N142 Y456	R21-L138 HydrophobicContact CB-CD1 4.46Å; R21-L138 HydrophobicContact CB-CD2 4.44Å; L22-L138 VanDerWaalsContact CA-CD1 3.47Å; L22-L138 HydrophobicContact CB-CD1 4.03Å; L22-L138 HydrophobicContact CD1-CD1 3.94Å; W25-L138 HydrophobicContact CB-CD1 3.99Å; W25-L138 HydrophobicContact CD2-CD1 3.61Å; W25-L138 HydrophobicContact CD2-CD2 3.84Å; W25-L138 HydrophobicContact CD2-CG 3.57Å; W25-L138 VanDerWaalsContact CE2-CD2 3.46Å; W25-L138 HydrophobicContact CE3-CD1 3.89Å; W25-L138 HydrophobicContact CE3-CD2 4.28Å; W25-L138 HydrophobicContact CE3-CG 3.62Å; W25-L138 HydrophobicContact CG-CD1 3.65Å; W25-L138 HydrophobicContact CG-CD2 4.37Å; W25-L138 HydrophobicContact CG-CG 4.15Å; W25-L138 HydrophobicContact CH2-CD2 4.08Å; W25-L138 HydrophobicContact CH2-CG 4.04Å; W25-L138 HydrophobicContact CZ2-CD2 3.62Å; W25-L138 HydrophobicContact CZ2-CG 4.01Å; W25-L138 HydrophobicContact CZ3-CD2 4.37Å; W25-L138 HydrophobicContact CZ3-CG 3.83Å; K134-L138 VanDerWaalsContact O-CB 3.31Å; K134-L138 WeakPolarHBondContact O-CB 3.29Å; K134-L138 WeakPolarHBondContact O-CG 3.42Å; K134-L138 PolarHBondContact O-N 3.3Å; G135-L138 PolarHBondContact O-N 3Å; P136-L138 PolarHBondContact O-N 3.04Å; L138-W140 VanDerWaalsContact C-N 3.26Å; L138-W140 PolarHBondContact O-N 3.44Å; L138-F141 HydrophobicContact CD2-CD2 4.36Å; L138-F141 PolarHBondContact O-N 3.26Å; L138-F141 VanDerWaalsContact O-N 3.15Å; L138-N142 WeakPolarHBondContact O-CB 3.21Å; L138-N142 PolarHBondContact O-N 3.02Å; L138-N142 PolarHBondContact O-ND2 2.87Å; L138-N142 VanDerWaalsContact O-ND2 3.08Å; L138-Y456 HydrophobicContact CB-CE2 4.39Å; L138-Y456 WeakPolarHBondContact CB-OH 3.36Å
139	A	98.9	Very high	98.8	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-63	-35.1	178.7	0	0	0	0	0	111.9	G135 P136 V137 C143 Y456 V460 L463	G135-A139 PolarHBondContact O-N 3.37Å; P136-A139 WeakPolarHBondContact O-CB 3.4Å; P136-A139 PolarHBondContact O-N 3.17Å; V137-A139 PolarHBondContact O-N 3.45Å; A139-C143 PolarHBondContact O-N 3.39Å; A139-Y456 HydrophobicContact CB-CD2 4.25Å; A139-Y456 HydrophobicContact CB-CE2 4.03Å; A139-V460 HydrophobicContact CB-CG2 3.81Å; A139-L463 HydrophobicContact CB-CD1 3.56Å
140	W	98.9	Very high	98.7	Very high	1 Å²	1	13.1 Å²	13.1	0%	0.004	6%	0.061	C	C	.	.	H	α-helix	trans	-59.8	-50.8	169.5	-68.3	119.5	0	0	0	111.9	I96 P136 V137 L138 N142 C143 I144 C192 L463 Y466 F467	I96-W140 HydrophobicContact CD1-CD2 3.86Å; I96-W140 HydrophobicContact CD1-CE3 3.75Å; I96-W140 HydrophobicContact CD1-CG 4.28Å; I96-W140 HydrophobicContact CD1-CZ3 4.14Å; I96-W140 HydrophobicContact CG2-CD2 3.88Å; I96-W140 HydrophobicContact CG2-CG 3.82Å; I96-W140 HydrophobicContact CG2-CZ2 4.18Å; P136-W140 PolarHBondContact O-N 3.16Å; V137-W140 WeakPolarHBondContact O-CB 2.99Å; V137-W140 PolarHBondContact O-N 2.88Å; L138-W140 VanDerWaalsContact C-N 3.26Å; L138-W140 PolarHBondContact O-N 3.44Å; W140-N142 VanDerWaalsContact C-N 3.35Å; W140-N142 PolarHBondContact O-N 3.14Å; W140-C143 PolarHBondContact O-N 3.47Å; W140-C143 PolarHBondContact O-SG 2.95Å; W140-I144 WeakPolarHBondContact O-CD1 3.33Å; W140-I144 VanDerWaalsContact O-CG1 3.28Å; W140-I144 WeakPolarHBondContact O-CG1 3.28Å; W140-I144 PolarHBondContact O-N 2.86Å; W140-I144 VanDerWaalsContact O-N 3.17Å; W140-C192 HydrophobicContact CH2-CB 4.15Å; W140-C192 HydrophobicContact CZ2-CB 4.22Å; W140-L463 HydrophobicContact CD2-CB 4.44Å; W140-L463 HydrophobicContact CD2-CD1 3.77Å; W140-L463 HydrophobicContact CD2-CD2 4.22Å; W140-L463 HydrophobicContact CD2-CG 4.34Å; W140-L463 HydrophobicContact CE3-CB 3.69Å; W140-L463 HydrophobicContact CE3-CD1 3.88Å; W140-L463 HydrophobicContact CE3-CD2 4.03Å; W140-L463 HydrophobicContact CE3-CG 4.04Å; W140-L463 HydrophobicContact CG-CD1 4.17Å; W140-L463 HydrophobicContact CH2-CB 4.32Å; W140-L463 HydrophobicContact CH2-CD2 3.4Å; W140-L463 HydrophobicContact CH2-CG 4.28Å; W140-L463 HydrophobicContact CZ2-CD2 3.57Å; W140-L463 HydrophobicContact CZ3-CB 3.59Å; W140-L463 HydrophobicContact CZ3-CD1 4.31Å; W140-L463 HydrophobicContact CZ3-CD2 3.6Å; W140-L463 HydrophobicContact CZ3-CG 3.98Å; W140-Y466 AromaticContact CH2-CD1 3.85Å; W140-Y466 HydrophobicContact CH2-CD1 3.85Å; W140-Y466 AromaticContact CH2-CE1 3.96Å; W140-Y466 HydrophobicContact CH2-CE1 3.96Å; W140-Y466 AromaticContact CZ3-CD1 3.97Å; W140-Y466 HydrophobicContact CZ3-CD1 3.97Å; W140-Y466 HydrophobicContact CZ3-CE1 4.32Å; W140-F467 AromaticContact CE3-CE1 3.66Å; W140-F467 HydrophobicContact CE3-CE1 3.66Å; W140-F467 AromaticContact CE3-CZ 3.49Å; W140-F467 HydrophobicContact CE3-CZ 3.49Å; W140-F467 VanDerWaalsContact CE3-CZ 3.49Å; W140-F467 HydrophobicContact CH2-CE1 4.23Å; W140-F467 HydrophobicContact CZ3-CD1 4.1Å; W140-F467 AromaticContact CZ3-CE1 3.23Å; W140-F467 HydrophobicContact CZ3-CE1 3.23Å; W140-F467 AromaticContact CZ3-CZ 3.61Å; W140-F467 HydrophobicContact CZ3-CZ 3.61Å
141	F	98.9	Very high	98.7	Very high	1 Å²	1	22.3 Å²	22.3	0%	0.004	10%	0.101	C	C	.	.	H	α-helix	trans	-62.3	-41.4	179.2	-65.8	-23.2	0	0	0	112.9	W25 A48 D51 I52 L55 V137 L138 C143 I144 E145 F160 F162	W25-F141 AromaticContact CH2-CD2 3.91Å; W25-F141 HydrophobicContact CH2-CD2 3.91Å; W25-F141 AromaticContact CH2-CE2 3.51Å; W25-F141 HydrophobicContact CH2-CE2 3.51Å; W25-F141 AromaticContact CZ2-CD2 3.94Å; W25-F141 HydrophobicContact CZ2-CD2 3.94Å; W25-F141 AromaticContact CZ2-CE2 3.7Å; W25-F141 HydrophobicContact CZ2-CE2 3.7Å; A48-F141 HydrophobicContact CB-CE2 4.18Å; A48-F141 HydrophobicContact CB-CZ 4.36Å; D51-F141 HydrophobicContact CB-CD2 3.67Å; D51-F141 HydrophobicContact CB-CE2 3.61Å; D51-F141 HydrophobicContact CB-CG 4.34Å; D51-F141 HydrophobicContact CB-CZ 4.25Å; I52-F141 HydrophobicContact CD1-CE1 4.33Å; I52-F141 HydrophobicContact CD1-CZ 4.22Å; I52-F141 HydrophobicContact CG1-CE1 3.61Å; I52-F141 HydrophobicContact CG1-CZ 3.71Å; L55-F141 HydrophobicContact CD1-CB 4.22Å; L55-F141 HydrophobicContact CD1-CD1 4.03Å; L55-F141 HydrophobicContact CD1-CG 4.37Å; V137-F141 HydrophobicContact CG1-CE2 4.44Å; V137-F141 PolarHBondContact O-N 2.85Å; L138-F141 HydrophobicContact CD2-CD2 4.36Å; L138-F141 PolarHBondContact O-N 3.26Å; L138-F141 VanDerWaalsContact O-N 3.15Å; F141-C143 PolarHBondContact O-N 3.37Å; F141-I144 PolarHBondContact O-N 3.32Å; F141-E145 PolarHBondContact O-N 2.99Å; F141-F160 HydrophobicContact CD1-CE1 4.37Å; F141-F160 HydrophobicContact CE1-CD1 4.26Å; F141-F160 AromaticContact CE1-CE1 3.95Å; F141-F160 HydrophobicContact CE1-CE1 3.95Å; F141-F160 HydrophobicContact CE1-CZ 4.42Å; F141-F162 AromaticContact CE1-CE2 3.76Å; F141-F162 HydrophobicContact CE1-CE2 3.76Å; F141-F162 HydrophobicContact CE1-CZ 4.3Å; F141-F162 HydrophobicContact CZ-CD2 4.33Å; F141-F162 AromaticContact CZ-CE2 3.56Å; F141-F162 HydrophobicContact CZ-CE2 3.56Å; F141-F162 HydrophobicContact CZ-CZ 4.38Å
142	N	98.9	Very high	98.6	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	12%	0.118	C	C	.	.	H	α-helix	trans	-65.7	-37.5	180	-67.1	-32.6	0	0	0	111.7	Y18 R21 L138 W140 E145 A146 Y456 V460	Y18-N142 HydrophobicContact CD1-CB 3.9Å; Y18-N142 VanDerWaalsContact CD1-OD1 3.23Å; Y18-N142 WeakPolarHBondContact CD1-OD1 3.36Å; Y18-N142 HydrophobicContact CD2-CB 4.4Å; Y18-N142 HydrophobicContact CE1-CB 3.77Å; Y18-N142 HydrophobicContact CE2-CB 4.29Å; Y18-N142 HydrophobicContact CG-CB 4.22Å; R21-N142 PolarHBondContact NH1-OD1 3.34Å; L138-N142 WeakPolarHBondContact O-CB 3.21Å; L138-N142 PolarHBondContact O-N 3.02Å; L138-N142 PolarHBondContact O-ND2 2.87Å; L138-N142 VanDerWaalsContact O-ND2 3.08Å; W140-N142 VanDerWaalsContact C-N 3.35Å; W140-N142 PolarHBondContact O-N 3.14Å; N142-E145 PolarHBondContact O-N 2.95Å; N142-A146 WeakPolarHBondContact O-CB 3.27Å; N142-A146 PolarHBondContact O-N 3.13Å; N142-Y456 PolarHBondContact ND2-OH 3.39Å; N142-V460 HydrophobicContact CB-CG1 3.93Å; N142-V460 HydrophobicContact CB-CG2 3.99Å
143	C	98.4	Very high	98.4	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-71	-36.2	178.2	81.4	0	0	0	0	112	A139 W140 F141 A146 Y147 V460 F467	A139-C143 PolarHBondContact O-N 3.39Å; W140-C143 PolarHBondContact O-N 3.47Å; W140-C143 PolarHBondContact O-SG 2.95Å; F141-C143 PolarHBondContact O-N 3.37Å; C143-A146 WeakPolarHBondContact O-CB 3.41Å; C143-A146 PolarHBondContact O-N 2.84Å; C143-Y147 WeakPolarHBondContact O-CD2 3.27Å; C143-Y147 PolarHBondContact O-N 2.83Å; C143-Y147 VanDerWaalsContact O-N 3.13Å; C143-V460 HydrophobicContact CB-CG1 3.85Å; C143-V460 VanDerWaalsContact CB-O 3.26Å; C143-V460 WeakPolarHBondContact CB-O 3.43Å; C143-F467 WeakPolarHBondContact SG-CE2 3.33Å
144	I	98.8	Very high	98.4	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-64.2	-46.8	173.6	-62.2	164.1	0	0	0	110.2	L55 L85 W140 F141 A146 Y147 Q148 L154 I158 F160 F467	L55-I144 HydrophobicContact CB-CG2 4.35Å; L55-I144 HydrophobicContact CD1-CB 4.07Å; L55-I144 HydrophobicContact CD1-CD1 4.29Å; L55-I144 HydrophobicContact CD1-CG2 3.95Å; L55-I144 HydrophobicContact CD2-CB 4.45Å; L55-I144 HydrophobicContact CD2-CG2 4.03Å; L55-I144 HydrophobicContact CG-CG2 4.33Å; L85-I144 HydrophobicContact CD2-CD1 4.37Å; L85-I144 HydrophobicContact CD2-CG2 3.49Å; L85-I144 VanDerWaalsContact CD2-CG2 3.49Å; W140-I144 WeakPolarHBondContact O-CD1 3.33Å; W140-I144 VanDerWaalsContact O-CG1 3.28Å; W140-I144 WeakPolarHBondContact O-CG1 3.28Å; W140-I144 PolarHBondContact O-N 2.86Å; W140-I144 VanDerWaalsContact O-N 3.17Å; F141-I144 PolarHBondContact O-N 3.32Å; I144-A146 VanDerWaalsContact C-N 3.27Å; I144-A146 PolarHBondContact O-N 2.99Å; I144-Y147 WeakPolarHBondContact O-CB 3.46Å; I144-Y147 PolarHBondContact O-N 2.95Å; I144-Q148 WeakPolarHBondContact O-CG 3.4Å; I144-Q148 PolarHBondContact O-N 3.29Å; I144-Q148 VanDerWaalsContact O-N 3.16Å; I144-L154 HydrophobicContact CG1-CD1 4.49Å; I144-L154 HydrophobicContact CG2-CD1 4.49Å; I144-I158 HydrophobicContact CD1-CD1 3.58Å; I144-I158 HydrophobicContact CG1-CD1 3.86Å; I144-F160 HydrophobicContact CD1-CE1 3.97Å; I144-F160 HydrophobicContact CD1-CZ 3.66Å; I144-F467 HydrophobicContact CG1-CE2 3.72Å; I144-F467 HydrophobicContact CG1-CZ 4.3Å
145	E	98.7	Very high	98.3	Very high	14 Å²	14	32.5 Å²	32.5	7%	0.065	15%	0.154	C	C	.	.	H	α-helix	trans	-58.2	-42.3	175.4	-173.4	-178.3	-123.5	0	0	110.9	R21 L55 F141 N142 Y147 Q148 K149	R21-E145 IonicContact CZ-OE1 3.55Å; R21-E145 IonicContact CZ-OE2 3.93Å; R21-E145 IonicContact NH1-OE1 2.77Å; R21-E145 IonicContact NH1-OE2 2.64Å; R21-E145 PolarHBondContact NH1-OE2 3.06Å; R21-E145 IonicContact NH2-OE1 2.86Å; R21-E145 PolarHBondContact NH2-OE1 3.35Å; R21-E145 IonicContact NH2-OE2 3.45Å; R21-E145 PolarHBondContact NH2-OE2 2.88Å; R21-E145 VanDerWaalsContact NH2-OE2 3.1Å; L55-E145 HydrophobicContact CD2-CB 3.9Å; F141-E145 PolarHBondContact O-N 2.99Å; N142-E145 PolarHBondContact O-N 2.95Å; E145-Y147 PolarHBondContact O-N 3.43Å; E145-Q148 WeakPolarHBondContact O-CB 3.41Å; E145-Q148 PolarHBondContact O-N 2.93Å; E145-Q148 VanDerWaalsContact O-N 3.14Å; E145-K149 HydrophobicContact CG-CG 3.94Å; E145-K149 WeakPolarHBondContact O-CB 3.41Å; E145-K149 WeakPolarHBondContact O-CG 3.06Å; E145-K149 PolarHBondContact O-N 3.42Å
146	A	98.8	Very high	98.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-58.7	-45.5	178.4	0	0	0	0	0	112.1	L7 Y10 V11 N142 C143 I144 Q148 K149 I150	L7-A146 HydrophobicContact CG-CB 4.13Å; Y10-A146 HydrophobicContact CD1-CB 3.62Å; Y10-A146 HydrophobicContact CE1-CB 4.19Å; V11-A146 HydrophobicContact CG2-CB 3.96Å; N142-A146 WeakPolarHBondContact O-CB 3.27Å; N142-A146 PolarHBondContact O-N 3.13Å; C143-A146 WeakPolarHBondContact O-CB 3.41Å; C143-A146 PolarHBondContact O-N 2.84Å; I144-A146 VanDerWaalsContact C-N 3.27Å; I144-A146 PolarHBondContact O-N 2.99Å; A146-Q148 VanDerWaalsContact C-N 3.35Å; A146-Q148 PolarHBondContact O-N 2.87Å; A146-K149 PolarHBondContact O-N 3.31Å; A146-I150 WeakPolarHBondContact O-CG1 3.49Å; A146-I150 PolarHBondContact O-N 3.04Å; A146-I150 VanDerWaalsContact O-N 3.07Å
147	Y	98.7	Very high	98.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-54.3	-49.1	172.6	-89.7	-78.8	0	0	0	111.8	H3 L7 C143 I144 E145 K149 I150 K151 Q152 L154 P155 G464 F467	H3-Y147 AromaticContact CD2-CE1 3.41Å; H3-Y147 VanDerWaalsContact CD2-CE1 3.41Å; H3-Y147 WeakPolarHBondContact CD2-CE1 3.29Å; H3-Y147 AromaticContact CD2-CZ 3.98Å; H3-Y147 AromaticContact NE2-CE1 3.52Å; H3-Y147 AromaticContact NE2-CZ 3.81Å; H3-Y147 PolarHBondContact NE2-OH 3.14Å; L7-Y147 HydrophobicContact CD1-CD1 4Å; L7-Y147 HydrophobicContact CD1-CD2 3.37Å; L7-Y147 HydrophobicContact CD1-CE1 3.86Å; L7-Y147 HydrophobicContact CD1-CE2 3.19Å; L7-Y147 HydrophobicContact CD1-CG 3.76Å; L7-Y147 VanDerWaalsContact CD1-CZ 3.43Å; C143-Y147 WeakPolarHBondContact O-CD2 3.27Å; C143-Y147 PolarHBondContact O-N 2.83Å; C143-Y147 VanDerWaalsContact O-N 3.13Å; I144-Y147 WeakPolarHBondContact O-CB 3.46Å; I144-Y147 PolarHBondContact O-N 2.95Å; E145-Y147 PolarHBondContact O-N 3.43Å; Y147-K149 PolarHBondContact O-N 3.07Å; Y147-I150 VanDerWaalsContact O-CG1 3.27Å; Y147-I150 WeakPolarHBondContact O-CG1 3.28Å; Y147-K151 PolarHBondContact O-N 2.84Å; Y147-Q152 CarbonylContact C-O 3.58Å; Y147-Q152 HydrophobicContact CD1-CB 4Å; Y147-Q152 HydrophobicContact CD1-CG 3.66Å; Y147-Q152 HydrophobicContact CE1-CG 3.93Å; Y147-Q152 PolarHBondContact O-N 3.08Å; Y147-L154 HydrophobicContact CD2-CD1 3.88Å; Y147-L154 HydrophobicContact CG-CD1 4.03Å; Y147-P155 HydrophobicContact CE1-CG 4.18Å; Y147-G464 WeakPolarHBondContact CE2-O 3.23Å; Y147-G464 PolarHBondContact OH-O 2.93Å; Y147-F467 HydrophobicContact CD2-CD2 4.45Å; Y147-F467 HydrophobicContact CE2-CB 4.36Å; Y147-F467 HydrophobicContact CE2-CD2 4.12Å
148	Q	98.3	Very high	98.3	Very high	84 Å²	84	32.9 Å²	32.9	39%	0.393	16%	0.156	S	C	.	.	H	α-helix	trans	-63.3	-40.5	-179.9	-66.1	179.4	-9	0	0	112.6	L55 I144 E145 A146 K151	L55-Q148 PolarHBondContact O-NE2 3.35Å; I144-Q148 WeakPolarHBondContact O-CG 3.4Å; I144-Q148 PolarHBondContact O-N 3.29Å; I144-Q148 VanDerWaalsContact O-N 3.16Å; E145-Q148 WeakPolarHBondContact O-CB 3.41Å; E145-Q148 PolarHBondContact O-N 2.93Å; E145-Q148 VanDerWaalsContact O-N 3.14Å; A146-Q148 VanDerWaalsContact C-N 3.35Å; A146-Q148 PolarHBondContact O-N 2.87Å; Q148-K151 WeakPolarHBondContact O-CA 3.49Å; Q148-K151 PolarHBondContact O-N 3.47Å
149	K	98.4	Very high	98.3	Very high	120 Å²	120	34.1 Å²	34.1	52%	0.522	16%	0.161	S	C	.	.	H	α-helix	trans	-72.6	-33.1	-176	-67.9	-74.5	-176.7	-170.1	0	112.9	Y10 E145 A146 Y147 K151	Y10-K149 HydrophobicContact CD1-CB 4.4Å; Y10-K149 HydrophobicContact CD2-CB 4.17Å; Y10-K149 HydrophobicContact CE1-CB 3.84Å; Y10-K149 HydrophobicContact CE1-CG 4.02Å; Y10-K149 HydrophobicContact CE2-CB 3.61Å; Y10-K149 HydrophobicContact CE2-CG 4.19Å; Y10-K149 VanDerWaalsContact CZ-CB 3.44Å; Y10-K149 WeakPolarHBondContact OH-CG 3.42Å; E145-K149 HydrophobicContact CG-CG 3.94Å; E145-K149 WeakPolarHBondContact O-CB 3.41Å; E145-K149 WeakPolarHBondContact O-CG 3.06Å; E145-K149 PolarHBondContact O-N 3.42Å; A146-K149 PolarHBondContact O-N 3.31Å; Y147-K149 PolarHBondContact O-N 3.07Å; K149-K151 PolarHBondContact O-N 3.41Å
150	I	98.3	Very high	98.3	Very high	45 Å²	45	34.1 Å²	34.1	23%	0.231	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	3.9	169.8	71.8	173.8	0	0	0	112.6	A6 L7 Y10 A146 Y147 Q152	A6-I150 HydrophobicContact CB-CD1 4.29Å; L7-I150 HydrophobicContact CB-CD1 3.87Å; Y10-I150 HydrophobicContact CD2-CG2 4.5Å; Y10-I150 HydrophobicContact CG-CG2 4.21Å; A146-I150 WeakPolarHBondContact O-CG1 3.49Å; A146-I150 PolarHBondContact O-N 3.04Å; A146-I150 VanDerWaalsContact O-N 3.07Å; Y147-I150 VanDerWaalsContact O-CG1 3.27Å; Y147-I150 WeakPolarHBondContact O-CG1 3.28Å; I150-Q152 HydrophobicContact CD1-CB 3.75Å; I150-Q152 HydrophobicContact CG1-CB 3.61Å; I150-Q152 PolarHBondContact O-N 3.42Å
151	K	97.6	Very high	98.3	Very high	192 Å²	192	34 Å²	34	84%	0.835	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.4	32.3	-177.7	-53.8	179.5	-179.3	179.1	0	112.8	Y147 Q148 K149	Y147-K151 PolarHBondContact O-N 2.84Å; Q148-K151 WeakPolarHBondContact O-CA 3.49Å; Q148-K151 PolarHBondContact O-N 3.47Å; K149-K151 PolarHBondContact O-N 3.41Å
152	Q	97.1	Very high	98.3	Very high	77 Å²	77	34 Å²	34	36%	0.36	16%	0.161	S	C	.	.	P	Polyproline II helix	trans	-95.5	129.3	173	179.4	58.1	49.6	0	0	108.3	H3 Y147 I150	H3-Q152 HydrophobicContact CB-CG 3.97Å; Y147-Q152 CarbonylContact C-O 3.58Å; Y147-Q152 HydrophobicContact CD1-CB 4Å; Y147-Q152 HydrophobicContact CD1-CG 3.66Å; Y147-Q152 HydrophobicContact CE1-CG 3.93Å; Y147-Q152 PolarHBondContact O-N 3.08Å; I150-Q152 HydrophobicContact CD1-CB 3.75Å; I150-Q152 HydrophobicContact CG1-CB 3.61Å; I150-Q152 PolarHBondContact O-N 3.42Å
153	D	95.4	Very high	98.3	Very high	103 Å²	103	34 Å²	34	55%	0.551	16%	0.161	S	C	*	.	P	Polyproline II helix	trans	-60.8	138.3	172.4	-178.4	35.3	0	0	0	110.5	K91	K91-D153 WeakPolarHBondContact CE-OD2 3.49Å; K91-D153 IonicContact NZ-OD1 3.99Å; K91-D153 PolarHBondContact NZ-OD1 2.85Å; K91-D153 IonicContact NZ-OD2 2.64Å; K91-D153 PolarHBondContact NZ-OD2 2.93Å
154	L	97.3	Very high	98.3	Very high	20 Å²	20	34.1 Å²	34.1	11%	0.105	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-67.4	128.5	-179.1	-171.1	73.3	0	0	0	108.5	L85 K91 I144 Y147 I156 I158 F467	L85-L154 HydrophobicContact CD2-CD2 3.98Å; L85-L154 HydrophobicContact CG-CD2 4.39Å; K91-L154 WeakPolarHBondContact CE-O 3.3Å; K91-L154 PolarHBondContact NZ-O 3.46Å; I144-L154 HydrophobicContact CG1-CD1 4.49Å; I144-L154 HydrophobicContact CG2-CD1 4.49Å; Y147-L154 HydrophobicContact CD2-CD1 3.88Å; Y147-L154 HydrophobicContact CG-CD1 4.03Å; L154-I156 WeakPolarHBondContact CD2-O 3.24Å; L154-I156 PolarHBondContact O-N 3.32Å; L154-I158 HydrophobicContact CD2-CD1 3.69Å; L154-I158 HydrophobicContact CD2-CG1 4.07Å; L154-F467 HydrophobicContact CD1-CD2 3.93Å; L154-F467 HydrophobicContact CD1-CE2 4.22Å
155	P	97.3	Very high	98.3	Very high	20 Å²	20	34.2 Å²	34.2	13%	0.13	16%	0.162	C	C	.	.	S	Bend	trans	-78	-7.3	-167.1	33	-38.2	0	0	0	113.8	Y147 F467 S471	Y147-P155 HydrophobicContact CE1-CG 4.18Å; P155-F467 HydrophobicContact CG-CB 3.74Å; P155-F467 WeakPolarHBondContact CG-O 3.35Å; P155-S471 WeakPolarHBondContact O-CB 3.28Å
156	I	98.6	Very high	98.2	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.01	16%	0.163	C	C	.	.	S	Bend	trans	-136.6	163.1	-179.7	58	163.5	0	0	0	110.7	K92 V94 L154 I158 F467 V470	K92-I156 WeakPolarHBondContact O-CA 3.34Å; K92-I156 WeakPolarHBondContact O-CB 3.4Å; V94-I156 HydrophobicContact CB-CD1 3.78Å; V94-I156 HydrophobicContact CG2-CD1 3.48Å; V94-I156 VanDerWaalsContact CG2-CD1 3.48Å; L154-I156 WeakPolarHBondContact CD2-O 3.24Å; L154-I156 PolarHBondContact O-N 3.32Å; I156-I158 HydrophobicContact CD1-CD1 4.44Å; I156-I158 HydrophobicContact CD1-CG1 3.92Å; I156-I158 HydrophobicContact CG1-CG1 4.12Å; I156-F467 HydrophobicContact CD1-CB 4.19Å; I156-F467 HydrophobicContact CD1-CD1 3.32Å; I156-F467 HydrophobicContact CD1-CD2 4.47Å; I156-F467 HydrophobicContact CD1-CE1 3.68Å; I156-F467 HydrophobicContact CD1-CG 3.77Å; I156-F467 HydrophobicContact CD1-CZ 4.4Å; I156-F467 HydrophobicContact CG1-CB 4.2Å; I156-F467 HydrophobicContact CG1-CD1 4.17Å; I156-F467 HydrophobicContact CG1-CG 4.11Å; I156-V470 HydrophobicContact CG2-CB 4.19Å; I156-V470 HydrophobicContact CG2-CG1 3.93Å
157	N	98.9	Very high	98.1	Very high	8 Å²	8	35.4 Å²	35.4	4%	0.043	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	152.1	158.8	-54.1	-52.8	0	0	0	109.5	G86 S87 D88 K91 K92 T93 V94	G86-N157 VanDerWaalsContact C-OD1 3.31Å; S87-N157 PolarHBondContact N-OD1 3.23Å; S87-N157 VanDerWaalsContact N-OD1 3.16Å; D88-N157 PolarHBondContact N-OD1 2.97Å; D88-N157 PolarHBondContact O-ND2 3.04Å; K91-N157 PolarHBondContact O-ND2 2.81Å; K92-N157 PolarHBondContact O-N 3.45Å; T93-N157 WeakPolarHBondContact CA-O 3.42Å; T93-N157 HydrophobicContact CG2-CB 4.23Å; V94-N157 PolarHBondContact N-O 3.19Å
158	I	98.9	Very high	98	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	135.3	179.5	-57.2	177.6	0	0	0	110.6	H84 L85 V94 I96 I144 L154 I156 F160 F467	H84-I158 CarbonylContact C-O 3.56Å; H84-I158 WeakPolarHBondContact CA-O 3.43Å; L85-I158 HydrophobicContact CB-CB 4.41Å; L85-I158 PolarHBondContact N-O 3.21Å; L85-I158 PolarHBondContact O-N 3.35Å; V94-I158 WeakPolarHBondContact O-CA 3.44Å; I96-I158 HydrophobicContact CD1-CD1 4.22Å; I96-I158 HydrophobicContact CD1-CG2 3.58Å; I96-I158 HydrophobicContact CG1-CG2 4.01Å; I144-I158 HydrophobicContact CD1-CD1 3.58Å; I144-I158 HydrophobicContact CG1-CD1 3.86Å; L154-I158 HydrophobicContact CD2-CD1 3.69Å; L154-I158 HydrophobicContact CD2-CG1 4.07Å; I156-I158 HydrophobicContact CD1-CD1 4.44Å; I156-I158 HydrophobicContact CD1-CG1 3.92Å; I156-I158 HydrophobicContact CG1-CG1 4.12Å; I158-F160 HydrophobicContact CB-CE2 4.28Å; I158-F160 HydrophobicContact CB-CZ 4.14Å; I158-F160 HydrophobicContact CD1-CZ 4.42Å; I158-F160 HydrophobicContact CG2-CD1 3.9Å; I158-F160 HydrophobicContact CG2-CD2 4.11Å; I158-F160 HydrophobicContact CG2-CE1 3.52Å; I158-F160 HydrophobicContact CG2-CE2 3.74Å; I158-F160 HydrophobicContact CG2-CG 4.19Å; I158-F160 HydrophobicContact CG2-CZ 3.44Å; I158-F160 VanDerWaalsContact CG2-CZ 3.44Å; I158-F467 HydrophobicContact CD1-CE1 4.32Å; I158-F467 HydrophobicContact CD1-CE2 3.78Å; I158-F467 HydrophobicContact CD1-CZ 3.59Å
159	K	98.9	Very high	97.6	Very high	26 Å²	26	33.5 Å²	33.5	11%	0.113	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	126.5	163.3	-63.6	-73	-177.9	155.2	0	107.9	G83 H84 T93 V94 C95 I96 F184 V188	G83-K159 CarbonylContact O-C 3.59Å; G83-K159 WeakPolarHBondContact O-CA 3.48Å; H84-K159 HydrophobicContact CB-CD 4.11Å; T93-K159 HydrophobicContact CG2-CG 3.66Å; V94-K159 PolarHBondContact O-N 3.33Å; C95-K159 CarbonylContact C-O 3.56Å; C95-K159 VanDerWaalsContact CA-O 3.29Å; C95-K159 WeakPolarHBondContact CA-O 3.18Å; C95-K159 HydrophobicContact CB-CB 4.4Å; I96-K159 PolarHBondContact N-O 3.37Å; K159-F184 HydrophobicContact CB-CE1 4.03Å; K159-F184 HydrophobicContact CB-CZ 4.06Å; K159-F184 HydrophobicContact CD-CD2 4.44Å; K159-F184 HydrophobicContact CD-CE1 4.15Å; K159-F184 HydrophobicContact CD-CE2 3.96Å; K159-F184 HydrophobicContact CD-CZ 3.81Å; K159-F184 WeakPolarHBondContact CE-O 3.41Å; K159-F184 PolarHBondContact NZ-O 3.4Å; K159-V188 HydrophobicContact CB-CG2 4.39Å; K159-V188 HydrophobicContact CG-CG2 4.03Å
160	F	98.9	Very high	97.5	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	133.5	174.8	-56	-81.9	0	0	0	109.3	I52 L82 G83 L85 I96 F141 I144 I158 F162 F184	I52-F160 HydrophobicContact CD1-CB 3.93Å; I52-F160 HydrophobicContact CD1-CD2 3.82Å; I52-F160 HydrophobicContact CD1-CE2 4.46Å; I52-F160 HydrophobicContact CD1-CG 3.84Å; I52-F160 HydrophobicContact CG1-CD2 4.01Å; I52-F160 HydrophobicContact CG1-CE2 4.15Å; I52-F160 HydrophobicContact CG1-CG 4.29Å; I52-F160 HydrophobicContact CG2-CD2 4.02Å; I52-F160 HydrophobicContact CG2-CE2 3.97Å; L82-F160 WeakPolarHBondContact CA-O 3.29Å; G83-F160 PolarHBondContact N-O 3.49Å; G83-F160 PolarHBondContact O-N 2.99Å; L85-F160 HydrophobicContact CB-CE2 3.92Å; L85-F160 HydrophobicContact CB-CZ 4.5Å; I96-F160 HydrophobicContact CB-CD1 4.4Å; I96-F160 HydrophobicContact CD1-CE1 4.28Å; F141-F160 HydrophobicContact CD1-CE1 4.37Å; F141-F160 HydrophobicContact CE1-CD1 4.26Å; F141-F160 AromaticContact CE1-CE1 3.95Å; F141-F160 HydrophobicContact CE1-CE1 3.95Å; F141-F160 HydrophobicContact CE1-CZ 4.42Å; I144-F160 HydrophobicContact CD1-CE1 3.97Å; I144-F160 HydrophobicContact CD1-CZ 3.66Å; I158-F160 HydrophobicContact CB-CE2 4.28Å; I158-F160 HydrophobicContact CB-CZ 4.14Å; I158-F160 HydrophobicContact CD1-CZ 4.42Å; I158-F160 HydrophobicContact CG2-CD1 3.9Å; I158-F160 HydrophobicContact CG2-CD2 4.11Å; I158-F160 HydrophobicContact CG2-CE1 3.52Å; I158-F160 HydrophobicContact CG2-CE2 3.74Å; I158-F160 HydrophobicContact CG2-CG 4.19Å; I158-F160 HydrophobicContact CG2-CZ 3.44Å; I158-F160 VanDerWaalsContact CG2-CZ 3.44Å; F160-F162 HydrophobicContact CB-CD2 4.27Å; F160-F162 HydrophobicContact CB-CE2 3.95Å; F160-F162 HydrophobicContact CB-CZ 4.32Å; F160-F162 AromaticContact CD1-CE2 3.68Å; F160-F162 HydrophobicContact CD1-CE2 3.68Å; F160-F162 AromaticContact CD1-CZ 3.62Å; F160-F162 HydrophobicContact CD1-CZ 3.62Å; F160-F162 HydrophobicContact CE1-CZ 4.44Å; F160-F162 HydrophobicContact CG-CE2 4.13Å; F160-F162 HydrophobicContact CG-CZ 4.4Å; F160-F184 WeakPolarHBondContact O-CZ 3.24Å
161	C	98.9	Very high	97.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	96.7	167.9	-173.4	0	0	0	0	107.8	I81 L82 I96 Y97 F185 F424	I81-C161 VanDerWaalsContact O-CA 3.29Å; I81-C161 WeakPolarHBondContact O-CA 3.22Å; L82-C161 HydrophobicContact CD2-CB 4.31Å; I96-C161 PolarHBondContact O-N 3.26Å; Y97-C161 VanDerWaalsContact CA-O 3.3Å; Y97-C161 WeakPolarHBondContact CA-O 3.25Å; Y97-C161 WeakPolarHBondContact CD2-O 3.26Å; C161-F185 HydrophobicContact CB-CE1 4.21Å; C161-F185 HydrophobicContact CB-CZ 4.24Å; C161-F424 HydrophobicContact CB-CE1 4.5Å; C161-F424 HydrophobicContact CB-CZ 4Å
162	F	98.9	Very high	97.3	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	135.3	178.9	-57.3	-45.2	0	0	0	110.7	M45 I52 I81 I96 G98 L100 V137 F141 F160	M45-F162 HydrophobicContact CE-CB 4.5Å; M45-F162 WeakPolarHBondContact CE-O 3.42Å; I52-F162 HydrophobicContact CD1-CD2 4.42Å; I52-F162 HydrophobicContact CD1-CE2 4.31Å; I81-F162 HydrophobicContact CB-CB 4.12Å; I81-F162 HydrophobicContact CD1-CB 4.17Å; I81-F162 HydrophobicContact CD1-CD2 4.46Å; I81-F162 HydrophobicContact CG2-CD2 4.32Å; I81-F162 PolarHBondContact N-O 2.96Å; I81-F162 PolarHBondContact O-N 2.73Å; I81-F162 VanDerWaalsContact O-N 3.08Å; I96-F162 HydrophobicContact CG2-CE1 4.08Å; I96-F162 HydrophobicContact CG2-CZ 4.26Å; G98-F162 WeakPolarHBondContact O-CA 3.47Å; L100-F162 HydrophobicContact CD1-CB 4.27Å; V137-F162 HydrophobicContact CG1-CE1 4.13Å; V137-F162 HydrophobicContact CG1-CE2 4.13Å; V137-F162 HydrophobicContact CG1-CZ 3.9Å; V137-F162 HydrophobicContact CG2-CE1 4.37Å; F141-F162 AromaticContact CE1-CE2 3.76Å; F141-F162 HydrophobicContact CE1-CE2 3.76Å; F141-F162 HydrophobicContact CE1-CZ 4.3Å; F141-F162 HydrophobicContact CZ-CD2 4.33Å; F141-F162 AromaticContact CZ-CE2 3.56Å; F141-F162 HydrophobicContact CZ-CE2 3.56Å; F141-F162 HydrophobicContact CZ-CZ 4.38Å; F160-F162 HydrophobicContact CB-CD2 4.27Å; F160-F162 HydrophobicContact CB-CE2 3.95Å; F160-F162 HydrophobicContact CB-CZ 4.32Å; F160-F162 AromaticContact CD1-CE2 3.68Å; F160-F162 HydrophobicContact CD1-CE2 3.68Å; F160-F162 AromaticContact CD1-CZ 3.62Å; F160-F162 HydrophobicContact CD1-CZ 3.62Å; F160-F162 HydrophobicContact CE1-CZ 4.44Å; F160-F162 HydrophobicContact CG-CE2 4.13Å; F160-F162 HydrophobicContact CG-CZ 4.4Å
163	E	98.8	Very high	97.3	Very high	2 Å²	2	18 Å²	18	1%	0.009	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	178.1	179.6	73.3	159.4	122.4	0	0	112.6	I80 Y97 G98 H99 L100 M165 E166 S170 L173	I80-E163 HydrophobicContact CG1-CB 4.18Å; Y97-E163 HydrophobicContact CE2-CG 3.95Å; Y97-E163 PolarHBondContact OH-OE1 3.14Å; G98-E163 PolarHBondContact O-N 3.44Å; H99-E163 HydrophobicContact CB-CG 3.92Å; L100-E163 PolarHBondContact N-O 3.3Å; E163-M165 VanDerWaalsContact OE2-C 3.26Å; E163-M165 WeakPolarHBondContact OE2-CA 3.17Å; E163-M165 WeakPolarHBondContact OE2-CB 3.41Å; E163-M165 PolarHBondContact OE2-N 3.29Å; E163-E166 HydrophobicContact CG-CB 4.38Å; E163-E166 PolarHBondContact OE2-N 3.47Å; E163-S170 VanDerWaalsContact OE1-CB 3.29Å; E163-S170 WeakPolarHBondContact OE1-CB 3.48Å; E163-S170 PolarHBondContact OE1-OG 3.46Å; E163-S170 WeakPolarHBondContact OE2-CA 3.4Å; E163-L173 HydrophobicContact CB-CD2 4.35Å; E163-L173 HydrophobicContact CG-CD2 4.24Å; E163-L173 WeakPolarHBondContact OE1-CD2 3.29Å
164	G	98.6	Very high	97.4	Very high	2 Å²	2	16.3 Å²	16.3	2%	0.021	10%	0.098	C	C	.	.	S	Bend	trans	-136.1	29.6	176.2	0	0	0	0	0	112.8	P78 D101	P78-G164 WeakPolarHBondContact CG-O 3.37Å; D101-G164 VanDerWaalsContact CB-O 3.29Å; D101-G164 WeakPolarHBondContact CB-O 3.45Å; D101-G164 VanDerWaalsContact CG-O 3.3Å; D101-G164 VanDerWaalsContact OD1-CA 3.29Å; D101-G164 WeakPolarHBondContact OD1-CA 3.46Å
165	M	98.1	Very high	97.4	Very high	2 Å²	2	21.5 Å²	21.5	1%	0.01	13%	0.126	C	C	.	.			trans	-137.3	12.1	-178.7	-75.4	-62.8	-66.5	0	0	114	R38 L77 P78 D101 E163 E167 S168 G169 S170 E171	R38-M165 PolarHBondContact NH1-SD 3.19Å; L77-M165 HydrophobicContact CD2-CE 3.87Å; L77-M165 HydrophobicContact CD2-CG 3.9Å; L77-M165 HydrophobicContact CD2-SD 4.08Å; P78-M165 HydrophobicContact CG-CG 4.03Å; P78-M165 HydrophobicContact CG-SD 4.14Å; D101-M165 PolarHBondContact OD1-N 2.79Å; D101-M165 WeakPolarHBondContact OD2-CA 3.33Å; E163-M165 VanDerWaalsContact OE2-C 3.26Å; E163-M165 WeakPolarHBondContact OE2-CA 3.17Å; E163-M165 WeakPolarHBondContact OE2-CB 3.41Å; E163-M165 PolarHBondContact OE2-N 3.29Å; M165-E167 VanDerWaalsContact C-N 3.33Å; M165-E167 PolarHBondContact O-N 3.42Å; M165-S168 VanDerWaalsContact CE-CB 3.44Å; M165-S168 CarbonylContact O-C 3.55Å; M165-S168 WeakPolarHBondContact O-CA 3.25Å; M165-S168 PolarHBondContact O-N 3.31Å; M165-G169 PolarHBondContact O-N 2.97Å; M165-S170 PolarHBondContact O-N 2.93Å; M165-E171 HydrophobicContact CE-CB 4.41Å
166	E	98.2	Very high	97.5	Very high	20 Å²	20	21.1 Å²	21.1	9%	0.093	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-59.7	-47.5	-174	-161.7	-68.9	151.9	0	0	110.5	Y97 H99 D101 E163 S168 G169 P419	Y97-E166 VanDerWaalsContact OH-CG 3.28Å; Y97-E166 WeakPolarHBondContact OH-CG 3.3Å; H99-E166 HydrophobicContact CB-CB 3.53Å; H99-E166 HydrophobicContact CB-CG 4.25Å; H99-E166 VanDerWaalsContact CG-CB 3.46Å; D101-E166 PolarHBondContact OD1-N 3.42Å; D101-E166 VanDerWaalsContact OD1-N 3.14Å; D101-E166 PolarHBondContact OD2-N 3.21Å; E163-E166 HydrophobicContact CG-CB 4.38Å; E163-E166 PolarHBondContact OE2-N 3.47Å; E166-S168 PolarHBondContact O-N 2.77Å; E166-G169 PolarHBondContact O-N 3.04Å; E166-P419 WeakPolarHBondContact OE1-CD 3.32Å
167	E	96.8	Very high	97.5	Very high	20 Å²	20	21.1 Å²	21.1	9%	0.093	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-67.3	-10.3	-179.7	-58.8	-81.2	-137.4	0	0	112.6	D101 Q103 M165 H445	D101-E167 WeakPolarHBondContact OD2-CB 3.45Å; D101-E167 PolarHBondContact OD2-N 3.3Å; Q103-E167 WeakPolarHBondContact CG-OE1 3.29Å; Q103-E167 PolarHBondContact N-OE1 2.8Å; Q103-E167 PolarHBondContact NE2-OE2 3.44Å; M165-E167 VanDerWaalsContact C-N 3.33Å; M165-E167 PolarHBondContact O-N 3.42Å; E167-H445 IonicContact OE1-CD2 2.68Å; E167-H445 IonicContact OE1-NE2 3.65Å; E167-H445 PolarHBondContact OE1-NE2 3.46Å; E167-H445 IonicContact OE2-CD2 3.07Å; E167-H445 IonicContact OE2-CE1 3.8Å; E167-H445 PolarHBondContact OE2-CE1 3.46Å; E167-H445 IonicContact OE2-NE2 3.04Å; E167-H445 PolarHBondContact OE2-NE2 2.98Å
168	S	94.8	Very high	97.5	Very high	18 Å²	18	24.5 Å²	24.5	13%	0.126	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-122.3	24.5	177.7	-65.5	0	0	0	0	112.6	S32 M165 E166 H380	S32-S168 VanDerWaalsContact CB-OG 3.28Å; S32-S168 WeakPolarHBondContact CB-OG 3.49Å; S32-S168 PolarHBondContact OG-OG 3.28Å; M165-S168 VanDerWaalsContact CE-CB 3.44Å; M165-S168 CarbonylContact O-C 3.55Å; M165-S168 WeakPolarHBondContact O-CA 3.25Å; M165-S168 PolarHBondContact O-N 3.31Å; E166-S168 PolarHBondContact O-N 2.77Å; S168-H380 PolarHBondContact O-CE1 2.67Å; S168-H380 PolarHBondContact O-NE2 3.47Å; S168-H380 VanDerWaalsContact O-NE2 3.16Å
169	G	90.8	Very high	97.4	Very high	26 Å²	26	27.8 Å²	27.8	27%	0.268	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.3	14.9	166.9	0	0	0	0	0	116.6	M165 E166 E171 H380	M165-G169 PolarHBondContact O-N 2.97Å; E166-G169 PolarHBondContact O-N 3.04Å; G169-E171 VanDerWaalsContact C-N 3.3Å; G169-E171 PolarHBondContact O-N 2.66Å; G169-H380 WeakPolarHBondContact CA-CE1 3.21Å; G169-H380 PolarHBondContact N-CE1 2.95Å
170	S	96.2	Very high	97.4	Very high	7 Å²	7	30.1 Å²	30.1	5%	0.049	17%	0.168	C	C	.	.			trans	54.7	39	174.8	-56	0	0	0	0	114.5	E163 M165 G172 L173	E163-S170 VanDerWaalsContact OE1-CB 3.29Å; E163-S170 WeakPolarHBondContact OE1-CB 3.48Å; E163-S170 PolarHBondContact OE1-OG 3.46Å; E163-S170 WeakPolarHBondContact OE2-CA 3.4Å; M165-S170 PolarHBondContact O-N 2.93Å; S170-G172 PolarHBondContact O-N 3.37Å; S170-G172 VanDerWaalsContact O-N 3.16Å; S170-L173 WeakPolarHBondContact O-CB 3.49Å; S170-L173 PolarHBondContact O-N 2.95Å; S170-L173 VanDerWaalsContact O-N 3.1Å
171	E	95.6	Very high	97.4	Very high	76 Å²	76	34 Å²	34	36%	0.355	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	120.8	-176.4	-170.5	175.3	158.3	0	0	111.7	I64 Q67 L77 M165 G169 L173	I64-E171 WeakPolarHBondContact CD1-O 3.34Å; Q67-E171 WeakPolarHBondContact CG-OE2 3.44Å; Q67-E171 PolarHBondContact NE2-OE2 3.22Å; L77-E171 HydrophobicContact CD1-CG 4.16Å; L77-E171 HydrophobicContact CD2-CB 4.1Å; L77-E171 HydrophobicContact CD2-CG 4.34Å; M165-E171 HydrophobicContact CE-CB 4.41Å; G169-E171 VanDerWaalsContact C-N 3.3Å; G169-E171 PolarHBondContact O-N 2.66Å; E171-L173 PolarHBondContact O-N 3.22Å
172	G	95.9	Very high	97.4	Very high	26 Å²	26	40 Å²	40	27%	0.268	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.7	-12.1	178	0	0	0	0	0	116.2	S170 L176	S170-G172 PolarHBondContact O-N 3.37Å; S170-G172 VanDerWaalsContact O-N 3.16Å; G172-L176 PolarHBondContact O-N 2.99Å
173	L	97.9	Very high	97.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-68.4	-42.3	-178.1	176.9	59.6	0	0	0	112.5	I80 Y97 E163 S170 E171 D175 L176 V177 V420	I80-L173 HydrophobicContact CD1-CB 3.93Å; I80-L173 HydrophobicContact CD1-CD1 3.64Å; I80-L173 HydrophobicContact CD1-CG 4.36Å; I80-L173 HydrophobicContact CG2-CD1 4.31Å; Y97-L173 HydrophobicContact CD2-CD2 4.43Å; Y97-L173 HydrophobicContact CE2-CD2 3.65Å; E163-L173 HydrophobicContact CB-CD2 4.35Å; E163-L173 HydrophobicContact CG-CD2 4.24Å; E163-L173 WeakPolarHBondContact OE1-CD2 3.29Å; S170-L173 WeakPolarHBondContact O-CB 3.49Å; S170-L173 PolarHBondContact O-N 2.95Å; S170-L173 VanDerWaalsContact O-N 3.1Å; E171-L173 PolarHBondContact O-N 3.22Å; L173-D175 PolarHBondContact O-N 3.48Å; L173-L176 PolarHBondContact O-N 3.24Å; L173-V177 HydrophobicContact CD1-CG2 3.79Å; L173-V177 HydrophobicContact CG-CG2 4.25Å; L173-V177 WeakPolarHBondContact O-CG2 3.37Å; L173-V177 PolarHBondContact O-N 3.37Å; L173-V420 HydrophobicContact CD2-CB 3.84Å; L173-V420 HydrophobicContact CD2-CG1 4.25Å; L173-V420 HydrophobicContact CD2-CG2 3.6Å; L173-V420 HydrophobicContact CG-CG2 3.87Å
174	D	96.8	Very high	97.3	Very high	66 Å²	66	44 Å²	44	35%	0.353	24%	0.242	S	C	.	.	H	α-helix	trans	-58.2	-49.9	179.7	-76	-9.4	0	0	0	111.8	L176 V177 F178 T423	D174-L176 VanDerWaalsContact C-N 3.29Å; D174-L176 PolarHBondContact O-N 2.84Å; D174-V177 PolarHBondContact O-N 2.89Å; D174-F178 VanDerWaalsContact O-CD2 3.32Å; D174-F178 WeakPolarHBondContact O-CD2 3.49Å; D174-F178 PolarHBondContact O-N 3.33Å; D174-T423 HydrophobicContact CB-CG2 4.07Å; D174-T423 VanDerWaalsContact CG-OG1 3.24Å; D174-T423 VanDerWaalsContact OD1-CB 3.32Å; D174-T423 WeakPolarHBondContact OD1-CB 3.22Å; D174-T423 VanDerWaalsContact OD1-CG2 3.29Å; D174-T423 WeakPolarHBondContact OD1-CG2 3.45Å; D174-T423 PolarHBondContact OD1-OG1 3.31Å
175	D	97.8	Very high	97.3	Very high	129 Å²	129	44.1 Å²	44.1	69%	0.69	24%	0.242	S	C	*	.	H	α-helix	trans	-59.3	-41.1	177.5	-73.7	-21.5	0	0	0	111.4	L173 S179	L173-D175 PolarHBondContact O-N 3.48Å; D175-S179 VanDerWaalsContact O-CB 3.24Å; D175-S179 WeakPolarHBondContact O-CB 3.27Å; D175-S179 PolarHBondContact O-N 3.15Å; D175-S179 PolarHBondContact O-OG 2.81Å
176	L	98.6	Very high	97.3	Very high	13 Å²	13	49.8 Å²	49.8	7%	0.068	27%	0.266	C	S	.	.	H	α-helix	trans	-63.4	-49.3	176.8	-179.5	61.5	0	0	0	111.4	V62 I64 I80 L82 G172 L173 D174 F178 S179 R180	V62-L176 HydrophobicContact CB-CD2 4.16Å; V62-L176 HydrophobicContact CG1-CD1 3.87Å; V62-L176 HydrophobicContact CG1-CD2 4.08Å; V62-L176 HydrophobicContact CG2-CD2 4.34Å; I64-L176 HydrophobicContact CG2-CD2 4.27Å; I80-L176 HydrophobicContact CB-CD2 3.75Å; I80-L176 HydrophobicContact CD1-CB 4.47Å; I80-L176 HydrophobicContact CD1-CD2 3.6Å; I80-L176 HydrophobicContact CG1-CD2 4.27Å; I80-L176 HydrophobicContact CG2-CD2 3.7Å; L82-L176 HydrophobicContact CD1-CD2 4.4Å; G172-L176 PolarHBondContact O-N 2.99Å; L173-L176 PolarHBondContact O-N 3.24Å; D174-L176 VanDerWaalsContact C-N 3.29Å; D174-L176 PolarHBondContact O-N 2.84Å; L176-F178 PolarHBondContact O-N 2.89Å; L176-S179 PolarHBondContact O-N 3.1Å; L176-S179 PolarHBondContact O-OG 2.93Å; L176-R180 HydrophobicContact CD1-CG 3.76Å; L176-R180 HydrophobicContact CG-CG 4.41Å; L176-R180 WeakPolarHBondContact O-CB 3.47Å; L176-R180 WeakPolarHBondContact O-CG 3.48Å; L176-R180 PolarHBondContact O-N 2.79Å
177	V	98.6	Very high	97.3	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.006	28%	0.284	C	S	.	.	H	α-helix	trans	-59.1	-48.9	-179.2	170.7	0	0	0	0	110.7	L173 D174 S179 R180 K181 F185 V420 T423 F424 A427	L173-V177 HydrophobicContact CD1-CG2 3.79Å; L173-V177 HydrophobicContact CG-CG2 4.25Å; L173-V177 WeakPolarHBondContact O-CG2 3.37Å; L173-V177 PolarHBondContact O-N 3.37Å; D174-V177 PolarHBondContact O-N 2.89Å; V177-S179 PolarHBondContact O-N 2.89Å; V177-R180 CarbonylContact O-C 3.52Å; V177-R180 PolarHBondContact O-N 2.85Å; V177-K181 PolarHBondContact O-N 3.16Å; V177-F185 HydrophobicContact CB-CE2 4.39Å; V177-F185 HydrophobicContact CG1-CE2 4.36Å; V177-F185 HydrophobicContact CG2-CE2 4.22Å; V177-F185 HydrophobicContact CG2-CZ 4.2Å; V177-V420 HydrophobicContact CG2-CG2 4.36Å; V177-T423 HydrophobicContact CB-CG2 3.91Å; V177-T423 HydrophobicContact CG1-CG2 3.86Å; V177-F424 HydrophobicContact CG1-CD1 4.02Å; V177-F424 HydrophobicContact CG1-CE1 4.15Å; V177-F424 HydrophobicContact CG2-CE1 3.9Å; V177-F424 HydrophobicContact CG2-CZ 4.25Å; V177-A427 HydrophobicContact CG1-CB 3.7Å
178	F	98.6	Very high	97.4	Very high	79 Å²	79	52 Å²	52	35%	0.346	28%	0.279	S	S	.	.	H	α-helix	trans	-63.7	-39.6	176.7	-81.8	-71	0	0	0	112.7	D174 L176 R180 K181 T423 E426 A427	D174-F178 VanDerWaalsContact O-CD2 3.32Å; D174-F178 WeakPolarHBondContact O-CD2 3.49Å; D174-F178 PolarHBondContact O-N 3.33Å; L176-F178 PolarHBondContact O-N 2.89Å; F178-R180 PolarHBondContact O-N 2.59Å; F178-K181 HydrophobicContact CD1-CD 4.49Å; F178-K181 VanDerWaalsContact O-CG 3.29Å; F178-K181 WeakPolarHBondContact O-CG 3.14Å; F178-K181 PolarHBondContact O-N 3.13Å; F178-T423 HydrophobicContact CD2-CG2 3.98Å; F178-T423 HydrophobicContact CE2-CG2 3.69Å; F178-T423 HydrophobicContact CZ-CG2 4.47Å; F178-E426 HydrophobicContact CE1-CB 4.35Å; F178-E426 HydrophobicContact CZ-CB 3.99Å; F178-A427 HydrophobicContact CD1-CB 3.77Å; F178-A427 HydrophobicContact CE1-CB 3.77Å; F178-A427 HydrophobicContact CG-CB 4.32Å; F178-A427 HydrophobicContact CZ-CB 4.31Å
179	S	98.5	Very high	97.6	Very high	70 Å²	70	53.4 Å²	53.4	49%	0.49	29%	0.285	S	S	.	.	H	α-helix	trans	-67.4	-25.1	177.6	80.5	0	0	0	0	113.3	D175 L176 V177	D175-S179 VanDerWaalsContact O-CB 3.24Å; D175-S179 WeakPolarHBondContact O-CB 3.27Å; D175-S179 PolarHBondContact O-N 3.15Å; D175-S179 PolarHBondContact O-OG 2.81Å; L176-S179 PolarHBondContact O-N 3.1Å; L176-S179 PolarHBondContact O-OG 2.93Å; V177-S179 PolarHBondContact O-N 2.89Å
180	R	98.4	Very high	97.9	Very high	75 Å²	75	53 Å²	53	28%	0.283	28%	0.276	S	S	.	.	H	α-helix	trans	-103.5	1.6	-177.4	-68.1	-63.5	-170.3	-83.2	1.2	113.8	L82 L176 V177 F178 D182 S183 F184 F185	L82-R180 HydrophobicContact CD1-CG 4.18Å; L176-R180 HydrophobicContact CD1-CG 3.76Å; L176-R180 HydrophobicContact CG-CG 4.41Å; L176-R180 WeakPolarHBondContact O-CB 3.47Å; L176-R180 WeakPolarHBondContact O-CG 3.48Å; L176-R180 PolarHBondContact O-N 2.79Å; V177-R180 CarbonylContact O-C 3.52Å; V177-R180 PolarHBondContact O-N 2.85Å; F178-R180 PolarHBondContact O-N 2.59Å; R180-D182 VanDerWaalsContact C-N 3.31Å; R180-D182 PolarHBondContact O-N 3.2Å; R180-S183 WeakPolarHBondContact CA-OG 3.23Å; R180-S183 WeakPolarHBondContact CD-OG 3.15Å; R180-S183 CarbonylContact O-C 3.43Å; R180-S183 PolarHBondContact O-N 2.87Å; R180-S183 PolarHBondContact O-OG 3.15Å; R180-F184 HydrophobicContact CB-CB 4.12Å; R180-F184 PolarHBondContact O-N 2.93Å; R180-F185 HydrophobicContact CB-CD2 3.78Å; R180-F185 HydrophobicContact CB-CE2 3.81Å; R180-F185 PolarHBondContact O-N 3.17Å
181	K	98.3	Very high	98.1	Very high	81 Å²	81	52.6 Å²	52.6	35%	0.352	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-42	-175.9	77.5	-177.7	-173.2	160.1	0	113.3	V177 F178 F185 K186 A427	V177-K181 PolarHBondContact O-N 3.16Å; F178-K181 HydrophobicContact CD1-CD 4.49Å; F178-K181 VanDerWaalsContact O-CG 3.29Å; F178-K181 WeakPolarHBondContact O-CG 3.14Å; F178-K181 PolarHBondContact O-N 3.13Å; K181-F185 CarbonylContact O-C 3.51Å; K181-K186 WeakPolarHBondContact O-CA 3.4Å; K181-K186 PolarHBondContact O-N 3.48Å; K181-K186 VanDerWaalsContact O-N 3.13Å; K181-A427 HydrophobicContact CB-CB 4.22Å
182	D	98.3	Very high	98.2	Very high	127 Å²	127	49 Å²	49	68%	0.679	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	5.9	-178.2	-59.9	-49.6	0	0	0	112.9	R180	R180-D182 VanDerWaalsContact C-N 3.31Å; R180-D182 PolarHBondContact O-N 3.2Å
183	S	98.2	Very high	98.4	Very high	57 Å²	57	47.8 Å²	47.8	40%	0.399	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.7	-84.7	179.3	54.9	0	0	0	0	112.1	R180 F185 K186	R180-S183 WeakPolarHBondContact CA-OG 3.23Å; R180-S183 WeakPolarHBondContact CD-OG 3.15Å; R180-S183 CarbonylContact O-C 3.43Å; R180-S183 PolarHBondContact O-N 2.87Å; R180-S183 PolarHBondContact O-OG 3.15Å; S183-F185 PolarHBondContact O-N 2.73Å; S183-K186 WeakPolarHBondContact O-CD 3.29Å; S183-K186 VanDerWaalsContact O-CG 3.24Å; S183-K186 WeakPolarHBondContact O-CG 3.37Å
184	F	98.6	Very high	98.4	Very high	29 Å²	29	47.8 Å²	47.8	13%	0.127	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-40.4	-177	177.9	-96.4	0	0	0	112.2	L82 G83 K159 F160 R180	L82-F184 HydrophobicContact CB-CD1 4.48Å; L82-F184 HydrophobicContact CB-CD2 4.04Å; L82-F184 HydrophobicContact CB-CE1 4.16Å; L82-F184 HydrophobicContact CB-CE2 3.69Å; L82-F184 HydrophobicContact CB-CG 4.41Å; L82-F184 HydrophobicContact CB-CZ 3.75Å; L82-F184 HydrophobicContact CD1-CB 4.44Å; L82-F184 HydrophobicContact CD1-CD1 4.28Å; L82-F184 HydrophobicContact CD1-CD2 4.42Å; L82-F184 HydrophobicContact CD1-CG 4.13Å; L82-F184 HydrophobicContact CD2-CD1 4.03Å; L82-F184 HydrophobicContact CD2-CE1 3.79Å; L82-F184 HydrophobicContact CD2-CZ 4.21Å; L82-F184 HydrophobicContact CG-CD1 4.5Å; L82-F184 HydrophobicContact CG-CE1 4.42Å; L82-F184 HydrophobicContact CG-CZ 4.48Å; G83-F184 WeakPolarHBondContact O-CZ 3.35Å; K159-F184 HydrophobicContact CB-CE1 4.03Å; K159-F184 HydrophobicContact CB-CZ 4.06Å; K159-F184 HydrophobicContact CD-CD2 4.44Å; K159-F184 HydrophobicContact CD-CE1 4.15Å; K159-F184 HydrophobicContact CD-CE2 3.96Å; K159-F184 HydrophobicContact CD-CZ 3.81Å; K159-F184 WeakPolarHBondContact CE-O 3.41Å; K159-F184 PolarHBondContact NZ-O 3.4Å; F160-F184 WeakPolarHBondContact O-CZ 3.24Å; R180-F184 HydrophobicContact CB-CB 4.12Å; R180-F184 PolarHBondContact O-N 2.93Å
185	F	98.6	Very high	98.5	Very high	4 Å²	4	45.1 Å²	45.1	2%	0.018	23%	0.23	C	C	.	.	S	Bend	trans	-92.8	-1.4	-176.7	-59.9	-75.1	0	0	0	114.4	L82 C161 V177 R180 K181 S183 D187 V188 F424 T428	L82-F185 HydrophobicContact CD2-CZ 4.04Å; C161-F185 HydrophobicContact CB-CE1 4.21Å; C161-F185 HydrophobicContact CB-CZ 4.24Å; V177-F185 HydrophobicContact CB-CE2 4.39Å; V177-F185 HydrophobicContact CG1-CE2 4.36Å; V177-F185 HydrophobicContact CG2-CE2 4.22Å; V177-F185 HydrophobicContact CG2-CZ 4.2Å; R180-F185 HydrophobicContact CB-CD2 3.78Å; R180-F185 HydrophobicContact CB-CE2 3.81Å; R180-F185 PolarHBondContact O-N 3.17Å; K181-F185 CarbonylContact O-C 3.51Å; S183-F185 PolarHBondContact O-N 2.73Å; F185-D187 PolarHBondContact O-N 3.29Å; F185-D187 VanDerWaalsContact O-N 3.13Å; F185-V188 HydrophobicContact CB-CG2 4.26Å; F185-V188 HydrophobicContact CD1-CG2 4.25Å; F185-V188 VanDerWaalsContact O-CB 3.31Å; F185-V188 WeakPolarHBondContact O-CB 3.39Å; F185-V188 WeakPolarHBondContact O-CG2 3.35Å; F185-V188 PolarHBondContact O-N 3.16Å; F185-F424 HydrophobicContact CD1-CE1 4.47Å; F185-F424 AromaticContact CE1-CE1 3.78Å; F185-F424 HydrophobicContact CE1-CE1 3.78Å; F185-F424 HydrophobicContact CZ-CE1 4.03Å; F185-T428 HydrophobicContact CB-CG2 4.27Å
186	K	98.1	Very high	98.5	Very high	122 Å²	122	39.1 Å²	39.1	53%	0.53	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-32.8	-171.4	76.9	-173.4	-179.1	171.4	0	114	K181 S183	K181-K186 WeakPolarHBondContact O-CA 3.4Å; K181-K186 PolarHBondContact O-N 3.48Å; K181-K186 VanDerWaalsContact O-N 3.13Å; S183-K186 WeakPolarHBondContact O-CD 3.29Å; S183-K186 VanDerWaalsContact O-CG 3.24Å; S183-K186 WeakPolarHBondContact O-CG 3.37Å
187	D	97.6	Very high	98.5	Very high	85 Å²	85	41 Å²	41	46%	0.455	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	7.8	-175.3	-54.8	-51.7	0	0	0	112.1	T93 F185	T93-D187 WeakPolarHBondContact CB-O 3.32Å; T93-D187 PolarHBondContact OG1-O 2.89Å; T93-D187 VanDerWaalsContact OG1-O 3.13Å; F185-D187 PolarHBondContact O-N 3.29Å; F185-D187 VanDerWaalsContact O-N 3.13Å
188	V	98.8	Very high	98.5	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.208	C	C	.	.			trans	-74.5	130.9	179.4	174.2	0	0	0	0	109.9	T93 C95 K159 F185 Y190 V191 R430	T93-V188 HydrophobicContact CG2-CG2 4.29Å; C95-V188 HydrophobicContact CB-CG1 3.68Å; C95-V188 HydrophobicContact CB-CG2 3.93Å; K159-V188 HydrophobicContact CB-CG2 4.39Å; K159-V188 HydrophobicContact CG-CG2 4.03Å; F185-V188 HydrophobicContact CB-CG2 4.26Å; F185-V188 HydrophobicContact CD1-CG2 4.25Å; F185-V188 VanDerWaalsContact O-CB 3.31Å; F185-V188 WeakPolarHBondContact O-CB 3.39Å; F185-V188 WeakPolarHBondContact O-CG2 3.35Å; F185-V188 PolarHBondContact O-N 3.16Å; V188-Y190 VanDerWaalsContact CG1-O 3.25Å; V188-Y190 WeakPolarHBondContact CG1-O 3.38Å; V188-V191 HydrophobicContact CG1-CG2 4.14Å; V188-R430 HydrophobicContact CG1-CG 4.46Å; V188-R430 WeakPolarHBondContact O-CG 3.19Å; V188-R430 PolarHBondContact O-NE 3.37Å
189	D	98.8	Very high	98.5	Very high	48 Å²	48	38.8 Å²	38.8	26%	0.257	19%	0.194	S	C	.	.			trans	-98.9	-35.6	174.6	-63.5	-61	0	0	0	112.1	K92 T93 R430	K92-D189 WeakPolarHBondContact CA-OD2 3.21Å; T93-D189 PolarHBondContact N-OD2 3.33Å; T93-D189 PolarHBondContact O-N 3.12Å; D189-R430 WeakPolarHBondContact O-CB 3.46Å; D189-R430 WeakPolarHBondContact O-CD 3.36Å
190	Y	98.9	Very high	98.3	Very high	17 Å²	17	35.9 Å²	35.9	7%	0.067	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	151	-175	-54.5	-75.1	0	0	0	111.3	K92 T93 V94 C95 V188 H391 H393 V470 L473	K92-Y190 HydrophobicContact CB-CE2 4.23Å; K92-Y190 HydrophobicContact CD-CE2 4.31Å; K92-Y190 HydrophobicContact CG-CE2 4.28Å; T93-Y190 PolarHBondContact O-N 3.45Å; V94-Y190 CarbonylContact C-O 3.58Å; V94-Y190 WeakPolarHBondContact CA-O 3.29Å; C95-Y190 PolarHBondContact N-O 2.99Å; V188-Y190 VanDerWaalsContact CG1-O 3.25Å; V188-Y190 WeakPolarHBondContact CG1-O 3.38Å; Y190-H391 AromaticContact CE1-CE1 3.81Å; Y190-H393 HydrophobicContact CD1-CB 3.59Å; Y190-H393 AromaticContact CD1-CD2 3.62Å; Y190-H393 AromaticContact CD1-CG 3.42Å; Y190-H393 VanDerWaalsContact CD1-CG 3.42Å; Y190-H393 AromaticContact CD1-ND1 3.87Å; Y190-H393 HydrophobicContact CE1-CB 3.73Å; Y190-H393 AromaticContact CG-CD2 3.84Å; Y190-V470 HydrophobicContact CD2-CG1 3.67Å; Y190-V470 HydrophobicContact CE2-CG1 3.78Å; Y190-L473 HydrophobicContact CE1-CD1 4.16Å; Y190-L473 HydrophobicContact CE2-CD1 4.25Å; Y190-L473 WeakPolarHBondContact OH-CD1 3.41Å
191	V	98.9	Very high	97.9	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	126.8	173.5	-175.6	0	0	0	0	109.2	C95 V188 H393 F424 N431 V432 M433	C95-V191 HydrophobicContact CB-CG1 4.41Å; C95-V191 HydrophobicContact CB-CG2 4.14Å; C95-V191 CarbonylContact O-C 3.56Å; C95-V191 WeakPolarHBondContact O-CA 3.32Å; V188-V191 HydrophobicContact CG1-CG2 4.14Å; V191-H393 PolarHBondContact O-CE1 2.61Å; V191-F424 HydrophobicContact CG1-CB 4.12Å; V191-F424 HydrophobicContact CG1-CD1 4.5Å; V191-F424 HydrophobicContact CG1-CD2 4.06Å; V191-F424 HydrophobicContact CG1-CG 3.99Å; V191-F424 HydrophobicContact CG2-CB 4.26Å; V191-N431 PolarHBondContact N-O 3.02Å; V191-V432 HydrophobicContact CB-CB 4.39Å; V191-V432 HydrophobicContact CB-CG1 4.33Å; V191-V432 HydrophobicContact CB-CG2 4Å; V191-V432 HydrophobicContact CG1-CG1 4.22Å; V191-V432 HydrophobicContact CG1-CG2 4.41Å; V191-V432 HydrophobicContact CG2-CG2 4.38Å; V191-V432 WeakPolarHBondContact O-CA 3.37Å; V191-M433 PolarHBondContact O-N 3.46Å
192	C	98.9	Very high	97.5	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	135.7	177	-160.7	0	0	0	0	110.6	V94 C95 I96 Y97 W140 M433 Y466	V94-C192 HydrophobicContact CG1-CB 4.01Å; C95-C192 PolarHBondContact O-N 3.24Å; I96-C192 WeakPolarHBondContact CA-O 3.31Å; Y97-C192 PolarHBondContact N-O 3.34Å; W140-C192 HydrophobicContact CH2-CB 4.15Å; W140-C192 HydrophobicContact CZ2-CB 4.22Å; C192-M433 WeakPolarHBondContact CA-O 3.27Å; C192-Y466 HydrophobicContact CB-CE1 3.9Å; C192-Y466 WeakPolarHBondContact CB-OH 3.49Å
193	I	98.9	Very high	97.3	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	143.7	176.3	-58.7	176.5	0	0	0	107.3	Y97 D195 I418 T421 V432 M433 L434 L435	Y97-I193 HydrophobicContact CD1-CD1 3.7Å; Y97-I193 HydrophobicContact CD1-CG1 3.87Å; Y97-I193 HydrophobicContact CD1-CG2 3.94Å; Y97-I193 HydrophobicContact CG-CD1 4.33Å; Y97-I193 HydrophobicContact CG-CG1 4.38Å; I193-D195 HydrophobicContact CG2-CB 3.78Å; I193-I418 HydrophobicContact CG2-CD1 4.2Å; I193-T421 HydrophobicContact CD1-CG2 3.6Å; I193-V432 HydrophobicContact CD1-CG1 4.32Å; I193-M433 PolarHBondContact N-O 3.05Å; I193-L434 HydrophobicContact CB-CD1 3.93Å; I193-L434 HydrophobicContact CB-CG 4.03Å; I193-L434 HydrophobicContact CD1-CD1 4.31Å; I193-L434 HydrophobicContact CG1-CD1 4.49Å; I193-L434 HydrophobicContact CG2-CG 4.33Å; I193-L434 CarbonylContact O-C 3.57Å; I193-L434 VanDerWaalsContact O-CA 3.27Å; I193-L434 WeakPolarHBondContact O-CA 3.44Å; I193-L435 PolarHBondContact O-N 3.46Å
194	S	98.8	Very high	97.2	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.007	15%	0.147	C	C	.	.			trans	-134.6	78.2	176.1	169.5	0	0	0	0	107.3	P136 L435 V437	P136-S194 WeakPolarHBondContact CB-O 3.41Å; P136-S194 WeakPolarHBondContact CB-OG 3.17Å; S194-L435 WeakPolarHBondContact CA-O 3.29Å; S194-L435 WeakPolarHBondContact CB-O 3.45Å; S194-L435 PolarHBondContact OG-O 3.38Å; S194-V437 VanDerWaalsContact OG-CG2 3.24Å; S194-V437 WeakPolarHBondContact OG-CG2 3.3Å
195	D	98.6	Very high	97.2	Very high	10 Å²	10	29 Å²	29	5%	0.053	14%	0.142	C	C	.	.			trans	-146.7	46.4	-170.5	178.9	22.9	0	0	0	108.9	H99 I193 I418	H99-D195 IonicContact CD2-OD2 3.2Å; H99-D195 PolarHBondContact CD2-OD2 3.47Å; H99-D195 VanDerWaalsContact CD2-OD2 3.32Å; H99-D195 IonicContact NE2-OD1 2.59Å; H99-D195 IonicContact NE2-OD2 3.1Å; H99-D195 PolarHBondContact NE2-OD2 3.15Å; I193-D195 HydrophobicContact CG2-CB 3.78Å; D195-I418 HydrophobicContact CB-CD1 3.91Å; D195-I418 WeakPolarHBondContact O-CD1 3.29Å; D195-I418 WeakPolarHBondContact OD2-CD1 3.31Å
196	N	98.4	Very high	97.2	Very high	3 Å²	3	28.9 Å²	28.9	2%	0.016	14%	0.141	C	C	.	.			trans	-161.4	176.1	-171.3	76.2	-71.5	0	0	0	110.3	T207 E414 L434 P436	N196-T207 WeakPolarHBondContact ND2-CB 3.38Å; N196-T207 PolarHBondContact ND2-OG1 3Å; N196-E414 VanDerWaalsContact CB-OE1 3.29Å; N196-E414 WeakPolarHBondContact CB-OE1 3.28Å; N196-E414 PolarHBondContact ND2-OE1 2.85Å; N196-L434 HydrophobicContact CB-CD2 4.3Å; N196-P436 WeakPolarHBondContact ND2-CB 3.45Å; N196-P436 VanDerWaalsContact O-CA 3.29Å; N196-P436 WeakPolarHBondContact O-CA 3.43Å; N196-P436 WeakPolarHBondContact O-CB 3.45Å
197	Y	98.6	Very high	97.3	Very high	52 Å²	52	23 Å²	23	20%	0.204	12%	0.116	C	C	.	.	B	Isolated β-bridge	trans	-124.9	157.9	-163.9	-35.5	-73.7	0	0	0	112.7	T131 D132 E414 P436 A444	T131-Y197 HydrophobicContact CG2-CE1 3.93Å; D132-Y197 PolarHBondContact OD2-OH 3.42Å; Y197-E414 PolarHBondContact N-OE1 2.98Å; Y197-E414 VanDerWaalsContact O-OE1 3.04Å; Y197-P436 VanDerWaalsContact C-CB 3.48Å; Y197-A444 HydrophobicContact CE1-CB 3.96Å; Y197-A444 HydrophobicContact CE2-CB 4.2Å; Y197-A444 VanDerWaalsContact CZ-CB 3.45Å; Y197-A444 WeakPolarHBondContact OH-CB 3.46Å
198	W	98.4	Very high	97.3	Very high	25 Å²	25	19.6 Å²	19.6	10%	0.095	10%	0.097	C	C	.	.			trans	-64.1	149.9	166	-65.6	5.5	0	0	0	110.5	G200 P204 F405 P436 G438 S440	W198-G200 WeakPolarHBondContact CB-O 3.38Å; W198-P204 HydrophobicContact CD2-CB 4.34Å; W198-P204 VanDerWaalsContact CE2-CA 3.47Å; W198-P204 HydrophobicContact CH2-CB 4.11Å; W198-P204 HydrophobicContact CZ2-CB 3.57Å; W198-F405 AromaticContact CH2-CD1 3.7Å; W198-F405 HydrophobicContact CH2-CD1 3.7Å; W198-F405 AromaticContact CH2-CE1 3.54Å; W198-F405 HydrophobicContact CH2-CE1 3.54Å; W198-F405 HydrophobicContact CH2-CG 4.32Å; W198-F405 HydrophobicContact CH2-CZ 4.05Å; W198-F405 HydrophobicContact CZ2-CD1 4.03Å; W198-F405 HydrophobicContact CZ2-CD2 4.37Å; W198-F405 AromaticContact CZ2-CE1 3.57Å; W198-F405 HydrophobicContact CZ2-CE1 3.57Å; W198-F405 AromaticContact CZ2-CE2 3.97Å; W198-F405 HydrophobicContact CZ2-CE2 3.97Å; W198-F405 HydrophobicContact CZ2-CG 4.42Å; W198-F405 AromaticContact CZ2-CZ 3.55Å; W198-F405 HydrophobicContact CZ2-CZ 3.55Å; W198-P436 PolarHBondContact NE1-O 3.33Å; W198-G438 PolarHBondContact N-O 2.91Å; W198-S440 WeakPolarHBondContact O-CA 3.37Å; W198-S440 WeakPolarHBondContact O-CB 3.13Å; W198-S440 PolarHBondContact O-N 3.08Å
199	L	97.4	Very high	97.3	Very high	9 Å²	9	19.6 Å²	19.6	5%	0.047	10%	0.097	C	C	.	.	S	Bend	trans	-72.2	-34.2	178.7	-179.5	62.9	0	0	0	113	C205 I280 F282 L305 W309 T412 S440	L199-C205 PolarHBondContact N-SG 3.39Å; L199-I280 HydrophobicContact CD2-CG2 3.2Å; L199-F282 HydrophobicContact CD1-CD2 4.04Å; L199-F282 HydrophobicContact CD1-CE2 4.17Å; L199-F282 HydrophobicContact CD2-CB 4.11Å; L199-F282 HydrophobicContact CD2-CD2 4.23Å; L199-F282 HydrophobicContact CD2-CG 4.35Å; L199-F282 HydrophobicContact CG-CD2 3.75Å; L199-F282 HydrophobicContact CG-CE2 4.34Å; L199-F282 HydrophobicContact CG-CG 4.35Å; L199-L305 HydrophobicContact CD1-CD2 3.9Å; L199-L305 HydrophobicContact CD2-CD2 3.93Å; L199-L305 HydrophobicContact CG-CD2 4.43Å; L199-W309 HydrophobicContact CD1-CZ2 3.83Å; L199-W309 HydrophobicContact CD2-CH2 3.89Å; L199-W309 HydrophobicContact CD2-CZ2 3.63Å; L199-W309 HydrophobicContact CG-CZ2 4.31Å; L199-T412 HydrophobicContact CB-CG2 4.16Å; L199-T412 HydrophobicContact CD2-CG2 4.16Å; L199-S440 WeakPolarHBondContact O-CB 3.49Å
200	G	94.8	Very high	97.3	Very high	8 Å²	8	17.6 Å²	17.6	8%	0.082	9%	0.086	C	C	.	.	S	Bend	trans	-144.7	-167.5	178.4	0	0	0	0	0	110.6	W198	W198-G200 WeakPolarHBondContact CB-O 3.38Å
201	K	90.1	Very high	97.3	Very high	73 Å²	73	17.4 Å²	17.4	32%	0.317	9%	0.085	S	C	.	.	S	Bend	trans	-97.3	-11.5	-171.3	-60.3	-170.6	-168.6	-172.5	0	115.7	E286 D290 D441	K201-E286 HydrophobicContact CD-CG 4.42Å; K201-E286 WeakPolarHBondContact CG-OE1 3.29Å; K201-D290 WeakPolarHBondContact CE-OD2 3.5Å; K201-D290 IonicContact NZ-OD1 2.9Å; K201-D290 PolarHBondContact NZ-OD1 3.02Å; K201-D290 IonicContact NZ-OD2 3.08Å; K201-D290 PolarHBondContact NZ-OD2 2.76Å; K201-D441 WeakPolarHBondContact CE-OD2 3.19Å; K201-D441 IonicContact NZ-OD2 2.72Å; K201-D441 PolarHBondContact NZ-OD2 2.65Å
202	T	89.1	Confident	97.3	Very high	89 Å²	89	17.4 Å²	17.4	55%	0.546	9%	0.085	S	C	.	.	S	Bend	trans	-100	-33.2	-169.4	71.7	0	0	0	0	113.6	D281	T202-D281 PolarHBondContact OG1-OD2 2.87Å
203	K	94.3	Very high	97.2	Very high	61 Å²	61	18.4 Å²	18.4	27%	0.265	9%	0.09	S	C	.	.	S	Bend	trans	-125.3	137	-175	-70.1	-170.8	-169.3	166.5	0	112.1	D281 D410	K203-D281 HydrophobicContact CD-CB 3.82Å; K203-D281 HydrophobicContact CG-CB 4.3Å; K203-D410 IonicContact NZ-OD1 3.66Å
204	P	97.4	Very high	97.2	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.006	9%	0.09	C	C	.	.			trans	-63.6	158.2	166.6	29.9	-34.8	0	0	0	111.3	W198 M401 F405 V407 P409 D410	W198-P204 HydrophobicContact CD2-CB 4.34Å; W198-P204 VanDerWaalsContact CE2-CA 3.47Å; W198-P204 HydrophobicContact CH2-CB 4.11Å; W198-P204 HydrophobicContact CZ2-CB 3.57Å; P204-M401 HydrophobicContact CB-SD 3.63Å; P204-M401 HydrophobicContact CG-CB 4.47Å; P204-M401 HydrophobicContact CG-SD 4.37Å; P204-F405 HydrophobicContact CB-CD2 3.88Å; P204-F405 HydrophobicContact CB-CE2 4.28Å; P204-F405 HydrophobicContact CB-CG 4.3Å; P204-F405 HydrophobicContact CG-CB 3.9Å; P204-F405 HydrophobicContact CG-CD2 3.85Å; P204-F405 HydrophobicContact CG-CG 4Å; P204-V407 HydrophobicContact CG-CG2 4.14Å; P204-P409 HydrophobicContact CB-CB 4.41Å; P204-P409 HydrophobicContact CG-CB 4.12Å; P204-P409 WeakPolarHBondContact O-CA 3.34Å; P204-P409 WeakPolarHBondContact O-CB 3.33Å; P204-D410 PolarHBondContact O-N 3.36Å
205	C	98.3	Very high	97.1	Very high	2 Å²	2	21 Å²	21	1%	0.014	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	159.8	179.5	-61.8	0	0	0	0	110.6	L199 M401 D410 T412 P436	L199-C205 PolarHBondContact N-SG 3.39Å; C205-M401 WeakPolarHBondContact O-CE 3.3Å; C205-D410 CarbonylContact C-O 3.46Å; C205-D410 VanDerWaalsContact CA-O 3.31Å; C205-D410 WeakPolarHBondContact CA-O 3.48Å; C205-T412 HydrophobicContact CB-CG2 3.9Å; C205-T412 WeakPolarHBondContact CB-OG1 3.46Å; C205-P436 HydrophobicContact CB-CG 4.01Å; C205-P436 WeakPolarHBondContact O-CD 3.15Å; C205-P436 WeakPolarHBondContact O-CG 3.29Å
206	I	98.8	Very high	97.1	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	122.1	162	-60.7	173.1	0	0	0	106.7	Y394 R398 M401 P409 D410 L411 T412 M433 L435	I206-Y394 HydrophobicContact CG2-CD1 3.66Å; I206-Y394 HydrophobicContact CG2-CE1 3.63Å; I206-R398 HydrophobicContact CD1-CB 4.29Å; I206-R398 HydrophobicContact CD1-CG 3.73Å; I206-R398 VanDerWaalsContact CD1-N 3.29Å; I206-M401 HydrophobicContact CD1-CG 4.24Å; I206-M401 HydrophobicContact CG1-CG 4.13Å; I206-P409 HydrophobicContact CD1-CB 4.3Å; I206-P409 HydrophobicContact CD1-CG 3.69Å; I206-P409 HydrophobicContact CG1-CB 4.11Å; I206-P409 HydrophobicContact CG1-CG 4.06Å; I206-D410 PolarHBondContact N-O 3.19Å; I206-L411 HydrophobicContact CB-CD2 4.02Å; I206-L411 HydrophobicContact CG2-CD2 4.32Å; I206-L411 WeakPolarHBondContact O-CA 3.43Å; I206-T412 PolarHBondContact O-N 3.07Å; I206-T412 PolarHBondContact O-OG1 2.63Å; I206-M433 HydrophobicContact CG2-CG 3.66Å; I206-M433 HydrophobicContact CG2-SD 3.69Å; I206-L435 HydrophobicContact CD1-CD2 4.31Å; I206-L435 HydrophobicContact CG1-CD2 3.92Å; I206-L435 HydrophobicContact CG2-CD2 4.19Å
207	T	98.9	Very high	97.1	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	130.4	-173.9	-67.7	0	0	0	0	110.6	N196 G209 Y394 T412 E414 L434	N196-T207 WeakPolarHBondContact ND2-CB 3.38Å; N196-T207 PolarHBondContact ND2-OG1 3Å; T207-G209 WeakPolarHBondContact CG2-O 3.45Å; T207-Y394 PolarHBondContact O-OH 2.78Å; T207-T412 CarbonylContact C-O 3.45Å; T207-T412 VanDerWaalsContact CA-O 3.24Å; T207-T412 WeakPolarHBondContact CA-O 3.26Å; T207-T412 PolarHBondContact OG1-OG1 3.22Å; T207-E414 HydrophobicContact CG2-CB 4.23Å; T207-E414 HydrophobicContact CG2-CG 4.15Å; T207-E414 PolarHBondContact OG1-OE1 2.74Å; T207-L434 HydrophobicContact CG2-CB 4.28Å; T207-L434 HydrophobicContact CG2-CD2 4.08Å; T207-L434 PolarHBondContact N-O 2.85Å; T207-L434 PolarHBondContact O-N 3.1Å
208	Y	98.6	Very high	97.1	Very high	13 Å²	13	20.9 Å²	20.9	5%	0.051	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	1.4	-179.1	75.5	-89.7	0	0	0	114	W385 V386 S387 F389 Y394 L411 T412 R413	Y208-W385 VanDerWaalsContact C-CZ3 3.46Å; Y208-V386 HydrophobicContact CD2-CG1 4.1Å; Y208-V386 HydrophobicContact CE2-CG1 4.25Å; Y208-V386 CarbonylContact O-C 3.58Å; Y208-V386 WeakPolarHBondContact O-CA 3.47Å; Y208-S387 PolarHBondContact O-N 3.2Å; Y208-F389 HydrophobicContact CD1-CD1 4.14Å; Y208-F389 AromaticContact CD2-CD1 3.53Å; Y208-F389 HydrophobicContact CD2-CD1 3.53Å; Y208-F389 HydrophobicContact CD2-CE1 4.2Å; Y208-F389 HydrophobicContact CE1-CD1 4.27Å; Y208-F389 AromaticContact CE2-CD1 3.7Å; Y208-F389 HydrophobicContact CE2-CD1 3.7Å; Y208-F389 AromaticContact CE2-CE1 3.89Å; Y208-F389 HydrophobicContact CE2-CE1 3.89Å; Y208-F389 HydrophobicContact CG-CB 4.15Å; Y208-F389 AromaticContact CG-CD1 3.77Å; Y208-F389 HydrophobicContact CG-CD1 3.77Å; Y208-F389 HydrophobicContact CG-CG 4.38Å; Y208-Y394 VanDerWaalsContact CA-OH 3.3Å; Y208-Y394 WeakPolarHBondContact CA-OH 3.39Å; Y208-Y394 WeakPolarHBondContact CB-OH 3.15Å; Y208-L411 HydrophobicContact CD1-CB 4.07Å; Y208-L411 HydrophobicContact CE1-CB 4.16Å; Y208-T412 WeakPolarHBondContact CD1-O 3.26Å; Y208-T412 WeakPolarHBondContact CE1-O 3.42Å; Y208-T412 PolarHBondContact N-O 3.33Å; Y208-R413 HydrophobicContact CD1-CG 4.4Å; Y208-R413 HydrophobicContact CD2-CG 4.27Å; Y208-R413 HydrophobicContact CE1-CG 3.91Å; Y208-R413 HydrophobicContact CE2-CG 3.75Å
209	G	98.6	Very high	97.2	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	149.6	172.7	0	0	0	0	0	112.9	T207 W385 R413 E414	T207-G209 WeakPolarHBondContact CG2-O 3.45Å; G209-W385 CarbonylContact C-O 3.5Å; G209-W385 WeakPolarHBondContact CA-O 3.41Å; G209-R413 CarbonylContact O-C 3.52Å; G209-R413 VanDerWaalsContact O-CA 3.27Å; G209-R413 WeakPolarHBondContact O-CA 3.14Å; G209-E414 PolarHBondContact O-N 3.24Å
210	L	98.8	Very high	97.2	Very high	5 Å²	5	21.3 Å²	21.3	3%	0.026	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	154.3	178.6	-71.5	168.7	0	0	0	109.3	W385 E414 I418 T421 L434	L210-W385 HydrophobicContact CB-CE3 4.06Å; L210-W385 HydrophobicContact CD1-CE3 4.07Å; L210-W385 HydrophobicContact CD1-CZ3 4.42Å; L210-W385 HydrophobicContact CG-CE3 3.92Å; L210-W385 HydrophobicContact CG-CZ3 4.2Å; L210-W385 PolarHBondContact N-O 2.96Å; L210-W385 PolarHBondContact O-N 2.91Å; L210-E414 HydrophobicContact CD2-CB 3.73Å; L210-I418 HydrophobicContact CD1-CB 3.69Å; L210-I418 HydrophobicContact CD1-CD1 3.96Å; L210-I418 HydrophobicContact CD1-CG1 3.78Å; L210-T421 HydrophobicContact CD1-CG2 3.93Å; L210-L434 HydrophobicContact CD1-CD2 3.72Å; L210-L434 HydrophobicContact CD2-CD2 4.31Å; L210-L434 HydrophobicContact CG-CD2 4.1Å
211	R	98.8	Very high	97.4	Very high	14 Å²	14	23.2 Å²	23.2	5%	0.053	11%	0.11	C	C	.	.			trans	-75.3	157.7	170.6	-70.8	-168.9	178.4	160.1	-18.7	110.6	H307 R308 Y311 S313 R343 L344 V345 E414 G416 S417	R211-H307 PolarHBondContact NH2-O 2.81Å; R211-R308 PolarHBondContact NE-O 3.4Å; R211-R308 PolarHBondContact NH1-O 3.16Å; R211-R308 PolarHBondContact NH2-O 2.86Å; R211-R308 VanDerWaalsContact NH2-O 3.1Å; R211-Y311 PolarHBondContact NH2-O 2.83Å; R211-S313 PolarHBondContact NH1-OG 3.1Å; R211-R343 HydrophobicContact CB-CB 4.21Å; R211-L344 CarbonylContact C-O 3.55Å; R211-L344 WeakPolarHBondContact CA-O 3.42Å; R211-L344 WeakPolarHBondContact CB-O 3.26Å; R211-L344 WeakPolarHBondContact CG-O 3.36Å; R211-V345 HydrophobicContact CG-CG1 4.19Å; R211-E414 PolarHBondContact N-O 3.25Å; R211-G416 PolarHBondContact N-O 3.17Å; R211-S417 WeakPolarHBondContact O-CA 3.19Å; R211-S417 WeakPolarHBondContact O-CB 3.21Å; R211-S417 PolarHBondContact O-OG 3.38Å
212	G	98.1	Very high	97.8	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	-179.6	162.2	0	0	0	0	0	111	R343 L344 A382 K383 S417	G212-R343 CarbonylContact O-C 3.55Å; G212-R343 VanDerWaalsContact O-CA 3.28Å; G212-R343 WeakPolarHBondContact O-CA 3.45Å; G212-L344 PolarHBondContact N-O 3.04Å; G212-L344 PolarHBondContact O-N 2.93Å; G212-A382 CarbonylContact C-O 3.46Å; G212-A382 WeakPolarHBondContact CA-O 3.38Å; G212-K383 VanDerWaalsContact CA-C 3.48Å; G212-K383 WeakPolarHBondContact CA-O 3.49Å; G212-S417 VanDerWaalsContact C-OG 3.28Å; G212-S417 PolarHBondContact O-OG 3.45Å
213	I	98	Very high	98.1	Very high	20 Å²	20	18.5 Å²	18.5	10%	0.103	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	137.2	176.4	-174.4	172.2	0	0	0	110.7	Y215 I342 G381 A382	I213-Y215 HydrophobicContact CD1-CD2 4.47Å; I213-I342 CarbonylContact C-O 3.49Å; I213-I342 WeakPolarHBondContact CA-O 3.48Å; I213-G381 CarbonylContact O-C 3.56Å; I213-G381 VanDerWaalsContact O-CA 3.27Å; I213-G381 WeakPolarHBondContact O-CA 3.38Å; I213-A382 HydrophobicContact CG2-CB 4.21Å; I213-A382 PolarHBondContact N-O 2.85Å; I213-A382 PolarHBondContact O-N 3.49Å
214	C	98.2	Very high	98.2	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	117.4	162.4	-71.6	0	0	0	0	108.2	F216 S341 I342 L344 V353 M378 H380	C214-F216 HydrophobicContact CB-CD2 4.29Å; C214-F216 HydrophobicContact CB-CE2 3.4Å; C214-F216 VanDerWaalsContact CB-CE2 3.4Å; C214-F216 HydrophobicContact CB-CZ 3.8Å; C214-S341 CarbonylContact O-C 3.55Å; C214-S341 WeakPolarHBondContact O-CA 3.43Å; C214-S341 WeakPolarHBondContact O-CB 3.41Å; C214-I342 PolarHBondContact N-O 2.86Å; C214-I342 PolarHBondContact O-N 2.86Å; C214-L344 HydrophobicContact CB-CD1 3.97Å; C214-V353 HydrophobicContact CB-CG1 4.29Å; C214-M378 HydrophobicContact CB-CG 4.47Å; C214-M378 HydrophobicContact CB-SD 3.77Å; C214-M378 VanDerWaalsContact SG-SD 3.6Å; C214-H380 CarbonylContact C-O 3.51Å; C214-H380 VanDerWaalsContact CA-O 3.31Å; C214-H380 WeakPolarHBondContact CA-O 3.48Å
215	Y	97.9	Very high	98.2	Very high	55 Å²	55	26.6 Å²	26.6	22%	0.216	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	128.7	178.1	-156.5	-72.3	0	0	0	110.2	I213 F217 H317 K339 M378 G379 H380	I213-Y215 HydrophobicContact CD1-CD2 4.47Å; Y215-F217 HydrophobicContact CD1-CE1 4.25Å; Y215-F217 AromaticContact CD1-CE2 3.97Å; Y215-F217 HydrophobicContact CD1-CE2 3.97Å; Y215-F217 AromaticContact CD1-CZ 3.78Å; Y215-F217 HydrophobicContact CD1-CZ 3.78Å; Y215-F217 AromaticContact CE1-CE1 3.95Å; Y215-F217 HydrophobicContact CE1-CE1 3.95Å; Y215-F217 HydrophobicContact CE1-CE2 4.49Å; Y215-F217 AromaticContact CE1-CZ 3.9Å; Y215-F217 HydrophobicContact CE1-CZ 3.9Å; Y215-H317 AromaticContact CE2-CD2 3.42Å; Y215-H317 VanDerWaalsContact CE2-CD2 3.42Å; Y215-H317 WeakPolarHBondContact CE2-CD2 3.23Å; Y215-H317 AromaticContact CE2-NE2 3.54Å; Y215-H317 AromaticContact CZ-CD2 3.36Å; Y215-H317 AromaticContact CZ-NE2 4Å; Y215-H317 PolarHBondContact OH-CD2 2.59Å; Y215-K339 HydrophobicContact CE1-CB 3.97Å; Y215-K339 HydrophobicContact CE1-CD 4.25Å; Y215-K339 HydrophobicContact CE1-CG 4.3Å; Y215-M378 CarbonylContact O-C 3.59Å; Y215-M378 WeakPolarHBondContact O-CA 3.44Å; Y215-M378 WeakPolarHBondContact O-CG 3.29Å; Y215-G379 PolarHBondContact O-N 3.37Å; Y215-H380 PolarHBondContact N-O 3.11Å
216	F	98.4	Very high	98.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	147.5	-173.5	-68	-82.4	0	0	0	112.7	C214 F340 I342 V353 E354 V357 T377 M378	C214-F216 HydrophobicContact CB-CD2 4.29Å; C214-F216 HydrophobicContact CB-CE2 3.4Å; C214-F216 VanDerWaalsContact CB-CE2 3.4Å; C214-F216 HydrophobicContact CB-CZ 3.8Å; F216-F340 HydrophobicContact CB-CD1 3.92Å; F216-F340 HydrophobicContact CB-CD2 4.38Å; F216-F340 HydrophobicContact CB-CE1 3.47Å; F216-F340 VanDerWaalsContact CB-CE1 3.47Å; F216-F340 HydrophobicContact CB-CE2 3.97Å; F216-F340 HydrophobicContact CB-CG 4.36Å; F216-F340 HydrophobicContact CB-CZ 3.51Å; F216-F340 HydrophobicContact CD2-CD2 4.28Å; F216-F340 AromaticContact CD2-CE2 3.62Å; F216-F340 HydrophobicContact CD2-CE2 3.62Å; F216-F340 AromaticContact CD2-CZ 3.84Å; F216-F340 HydrophobicContact CD2-CZ 3.84Å; F216-F340 HydrophobicContact CE2-CE2 4.45Å; F216-F340 HydrophobicContact CG-CE1 4.24Å; F216-F340 HydrophobicContact CG-CE2 4.04Å; F216-F340 AromaticContact CG-CZ 3.77Å; F216-F340 HydrophobicContact CG-CZ 3.77Å; F216-F340 PolarHBondContact N-O 3.47Å; F216-F340 PolarHBondContact O-N 3.08Å; F216-I342 HydrophobicContact CE2-CD1 4.18Å; F216-I342 HydrophobicContact CE2-CG1 4.36Å; F216-V353 HydrophobicContact CE2-CG1 4.38Å; F216-V353 HydrophobicContact CZ-CG1 4.28Å; F216-E354 HydrophobicContact CE1-CB 4.26Å; F216-E354 HydrophobicContact CE1-CG 4.25Å; F216-E354 HydrophobicContact CZ-CB 4.42Å; F216-V357 HydrophobicContact CD1-CB 4.34Å; F216-V357 HydrophobicContact CD1-CG1 3.69Å; F216-V357 HydrophobicContact CD2-CG1 4.28Å; F216-V357 HydrophobicContact CD2-CG2 4.4Å; F216-V357 HydrophobicContact CE1-CB 3.83Å; F216-V357 HydrophobicContact CE1-CG1 3.71Å; F216-V357 HydrophobicContact CE1-CG2 4.2Å; F216-V357 HydrophobicContact CE2-CB 4.31Å; F216-V357 HydrophobicContact CE2-CG1 4.29Å; F216-V357 HydrophobicContact CE2-CG2 3.78Å; F216-V357 HydrophobicContact CG-CG1 3.99Å; F216-V357 HydrophobicContact CZ-CB 3.83Å; F216-V357 HydrophobicContact CZ-CG1 4.03Å; F216-V357 HydrophobicContact CZ-CG2 3.68Å; F216-T377 WeakPolarHBondContact CA-O 3.3Å; F216-M378 HydrophobicContact CD1-CB 4.01Å; F216-M378 HydrophobicContact CD1-CG 4.22Å; F216-M378 HydrophobicContact CE1-CB 3.78Å; F216-M378 HydrophobicContact CE1-CG 3.87Å; F216-M378 HydrophobicContact CE1-SD 4.19Å; F216-M378 HydrophobicContact CZ-CG 4.13Å; F216-M378 HydrophobicContact CZ-SD 4.01Å
217	F	98.4	Very high	98.1	Very high	61 Å²	61	31.6 Å²	31.6	27%	0.268	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	125.1	173.4	-55.1	-90.2	0	0	0	109.1	Y215 I337 G338 K339 V376 T377	Y215-F217 HydrophobicContact CD1-CE1 4.25Å; Y215-F217 AromaticContact CD1-CE2 3.97Å; Y215-F217 HydrophobicContact CD1-CE2 3.97Å; Y215-F217 AromaticContact CD1-CZ 3.78Å; Y215-F217 HydrophobicContact CD1-CZ 3.78Å; Y215-F217 AromaticContact CE1-CE1 3.95Å; Y215-F217 HydrophobicContact CE1-CE1 3.95Å; Y215-F217 HydrophobicContact CE1-CE2 4.49Å; Y215-F217 AromaticContact CE1-CZ 3.9Å; Y215-F217 HydrophobicContact CE1-CZ 3.9Å; F217-I337 HydrophobicContact CB-CG2 3.86Å; F217-I337 HydrophobicContact CD1-CG2 4.05Å; F217-I337 HydrophobicContact CG-CG2 4.46Å; F217-G338 WeakPolarHBondContact CA-O 3.48Å; F217-K339 HydrophobicContact CD1-CD 4.37Å; F217-K339 HydrophobicContact CD1-CG 3.99Å; F217-K339 HydrophobicContact CE1-CD 4.06Å; F217-K339 HydrophobicContact CE1-CG 4.16Å; F217-V376 WeakPolarHBondContact O-CA 3.49Å; F217-T377 PolarHBondContact N-O 2.78Å; F217-T377 PolarHBondContact O-N 3.38Å
218	V	98.8	Very high	98.1	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.012	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	100.1	175.7	-176.8	0	0	0	0	108	L243 L246 I337 G338 F340 V361 L374 V376	V218-L243 HydrophobicContact CB-CD1 3.95Å; V218-L243 HydrophobicContact CG1-CD1 3.78Å; V218-L243 WeakPolarHBondContact O-CD1 3.14Å; V218-L246 HydrophobicContact CG1-CD1 3.94Å; V218-I337 CarbonylContact O-C 3.51Å; V218-I337 WeakPolarHBondContact O-CA 3.29Å; V218-G338 PolarHBondContact N-O 3.28Å; V218-G338 PolarHBondContact O-N 3.42Å; V218-F340 HydrophobicContact CG2-CD1 4.29Å; V218-F340 HydrophobicContact CG2-CE1 3.69Å; V218-V361 HydrophobicContact CG1-CG1 4.06Å; V218-V361 HydrophobicContact CG2-CG1 4.41Å; V218-L374 HydrophobicContact CG1-CD1 3.82Å; V218-V376 HydrophobicContact CG2-CG1 4.45Å
219	E	98.8	Very high	98.1	Very high	43 Å²	43	37.8 Å²	37.8	20%	0.201	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	125.5	-179.8	177.7	176.3	136.2	0	0	110.4	K335 V336 I337 L374 K375	E219-K335 HydrophobicContact CG-CD 4.3Å; E219-K335 HydrophobicContact CG-CG 4.31Å; E219-K335 VanDerWaalsContact OE1-CE 3.31Å; E219-K335 WeakPolarHBondContact OE1-CE 3.14Å; E219-K335 IonicContact OE1-NZ 2.79Å; E219-K335 PolarHBondContact OE1-NZ 3.1Å; E219-K335 WeakPolarHBondContact OE2-CE 3.24Å; E219-K335 IonicContact OE2-NZ 3.51Å; E219-K335 PolarHBondContact OE2-NZ 2.9Å; E219-V336 WeakPolarHBondContact CA-O 3.4Å; E219-I337 HydrophobicContact CB-CG1 4.11Å; E219-I337 HydrophobicContact CG-CG1 4.09Å; E219-L374 CarbonylContact O-C 3.58Å; E219-L374 WeakPolarHBondContact O-CA 3.27Å; E219-K375 HydrophobicContact CB-CB 4.25Å; E219-K375 PolarHBondContact N-O 2.89Å; E219-K375 PolarHBondContact O-N 3.04Å
220	V	98.9	Very high	98.1	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	127.8	171.4	-172.6	0	0	0	0	109.5	A239 D242 L243 L246 K335 V336 F365 N372 K373 L374	V220-A239 HydrophobicContact CB-CB 4.22Å; V220-A239 HydrophobicContact CG1-CB 3.88Å; V220-D242 HydrophobicContact CG1-CB 4.1Å; V220-L243 HydrophobicContact CG2-CB 4.21Å; V220-L243 HydrophobicContact CG2-CD1 4.29Å; V220-L246 HydrophobicContact CG2-CD1 4.29Å; V220-K335 VanDerWaalsContact O-CA 3.31Å; V220-K335 WeakPolarHBondContact O-CA 3.34Å; V220-V336 HydrophobicContact CB-CG2 4.36Å; V220-V336 PolarHBondContact N-O 2.72Å; V220-V336 PolarHBondContact O-N 3.4Å; V220-F365 HydrophobicContact CG1-CE2 4.35Å; V220-N372 HydrophobicContact CG1-CB 3.9Å; V220-K373 VanDerWaalsContact CA-O 3.29Å; V220-K373 WeakPolarHBondContact CA-O 3.35Å; V220-L374 HydrophobicContact CG2-CD1 4.08Å
221	E	98.8	Very high	98	Very high	49 Å²	49	45.2 Å²	45.2	23%	0.229	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	126.7	177.7	-179.3	-174.8	-136.9	0	0	110.6	R334 K335 N372 K373	E221-R334 WeakPolarHBondContact CA-O 3.44Å; E221-K335 HydrophobicContact CB-CB 4.26Å; E221-K335 HydrophobicContact CB-CG 4.39Å; E221-K335 HydrophobicContact CG-CB 4.23Å; E221-N372 WeakPolarHBondContact O-CB 3.38Å; E221-K373 HydrophobicContact CB-CB 4.4Å; E221-K373 PolarHBondContact N-O 2.99Å; E221-K373 PolarHBondContact O-N 3.36Å; E221-K373 WeakPolarHBondContact OE2-CD 3.42Å; E221-K373 IonicContact OE2-NZ 3.11Å; E221-K373 PolarHBondContact OE2-NZ 3.33Å
222	C	97.9	Very high	98	Very high	36 Å²	36	48.5 Å²	48.5	24%	0.243	27%	0.266	C	S	.	.			trans	-113.1	-10.7	179.5	69.7	0	0	0	0	114.3	H237 A239 R334 N372	C222-H237 VanDerWaalsContact CB-O 3.23Å; C222-H237 WeakPolarHBondContact CB-O 2.94Å; C222-A239 HydrophobicContact CB-CB 3.88Å; C222-R334 PolarHBondContact N-O 2.83Å; C222-N372 VanDerWaalsContact CA-OD1 3.28Å; C222-N372 WeakPolarHBondContact CA-OD1 3.39Å; C222-N372 WeakPolarHBondContact CB-OD1 3.38Å
223	G	95	Very high	98	Very high	26 Å²	26	50.2 Å²	50.2	27%	0.268	28%	0.284	S	S	.	.			trans	-170.8	176.4	-177.5	0	0	0	0	0	114.2	R334	G223-R334 PolarHBondContact N-O 3.12Å
224	D	96.4	Very high	98	Very high	110 Å²	110	53.2 Å²	53.2	59%	0.588	32%	0.32	S	S	*	.	S	Bend	trans	-88	-16.3	-178.1	66.3	-15.5	0	0	0	113.6	R334	D224-R334 WeakPolarHBondContact O-CD 3.13Å; D224-R334 PolarHBondContact O-NH1 2.92Å
225	K	97.2	Very high	98	Very high	123 Å²	123	57.8 Å²	57.8	54%	0.535	35%	0.352	S	S	.	.	S	Bend	trans	-148.9	154.8	-178.9	71.8	-164.7	122.9	-155.2	0	111.3	L227 R334	K225-L227 HydrophobicContact CG-CD2 4.07Å; K225-R334 WeakPolarHBondContact O-CB 3.41Å
226	D	98.2	Very high	98	Very high	77 Å²	77	57.8 Å²	57.8	41%	0.412	36%	0.357	S	S	.	.			trans	-63	144.9	172.6	-76.2	0.3	0	0	0	110.3	V331 R334	D226-V331 HydrophobicContact CB-CG2 3.69Å; D226-R334 PolarHBondContact OD1-N 3.26Å
227	L	98.4	Very high	98.1	Very high	30 Å²	30	62.8 Å²	62.8	16%	0.157	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	145.7	-174.9	-52.8	175.6	0	0	0	111.2	K225 S229 F232 V236 V331 I332	K225-L227 HydrophobicContact CG-CD2 4.07Å; L227-S229 PolarHBondContact O-N 3.36Å; L227-F232 HydrophobicContact CB-CB 4.14Å; L227-F232 HydrophobicContact CB-CD2 3.69Å; L227-F232 HydrophobicContact CB-CE2 4.31Å; L227-F232 HydrophobicContact CB-CG 3.97Å; L227-F232 HydrophobicContact CD1-CB 4.15Å; L227-F232 HydrophobicContact CD1-CD1 4.31Å; L227-F232 HydrophobicContact CD1-CG 4.11Å; L227-F232 HydrophobicContact CD2-CD2 4.32Å; L227-F232 HydrophobicContact CD2-CE1 4.5Å; L227-F232 HydrophobicContact CD2-CE2 4.24Å; L227-F232 HydrophobicContact CD2-CG 4.48Å; L227-F232 HydrophobicContact CD2-CZ 4.33Å; L227-F232 HydrophobicContact CG-CD2 4.43Å; L227-F232 HydrophobicContact CG-CG 4.43Å; L227-V236 HydrophobicContact CD1-CG1 4.37Å; L227-V236 HydrophobicContact CD1-CG2 4.17Å; L227-V331 WeakPolarHBondContact O-CA 3.48Å; L227-I332 HydrophobicContact CB-CB 4.18Å; L227-I332 PolarHBondContact N-O 3.26Å; L227-I332 PolarHBondContact O-N 3.03Å
228	H	98.5	Very high	98.1	Very high	105 Å²	105	62.5 Å²	62.5	49%	0.486	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	112.6	171	-176.7	-71.7	0	0	0	109.9	G230 V231 F232	H228-G230 VanDerWaalsContact C-N 3.27Å; H228-G230 PolarHBondContact ND1-N 3.24Å; H228-G230 VanDerWaalsContact ND1-N 3.19Å; H228-G230 PolarHBondContact O-N 3.3Å; H228-G230 VanDerWaalsContact O-N 3.14Å; H228-V231 HydrophobicContact CB-CB 4.29Å; H228-V231 HydrophobicContact CB-CG2 4.25Å; H228-V231 PolarHBondContact ND1-N 2.93Å; H228-V231 PolarHBondContact O-N 3.49Å; H228-F232 WeakPolarHBondContact O-CD2 3.28Å; H228-F232 PolarHBondContact O-N 3.39Å; H228-F232 VanDerWaalsContact O-N 3.12Å
229	S	98.4	Very high	98.1	Very high	37 Å²	37	62.4 Å²	62.4	26%	0.259	38%	0.379	S	S	.	.	H	α-helix	trans	-58.3	-32.5	-171.7	57.7	0	0	0	0	114.4	L227 G233 T330	L227-S229 PolarHBondContact O-N 3.36Å; S229-G233 WeakPolarHBondContact O-CA 3.4Å; S229-G233 PolarHBondContact O-N 3.37Å; S229-T330 WeakPolarHBondContact CB-O 3.32Å; S229-T330 PolarHBondContact N-O 2.89Å; S229-T330 WeakPolarHBondContact OG-CA 3.43Å; S229-T330 WeakPolarHBondContact OG-CB 3.3Å; S229-T330 PolarHBondContact OG-O 3.38Å
230	G	98	Very high	98.1	Very high	64 Å²	64	62.5 Å²	62.5	66%	0.66	38%	0.381	S	S	*	.	H	α-helix	trans	-73.5	-24.6	175.8	0	0	0	0	0	114.8	H228	H228-G230 VanDerWaalsContact C-N 3.27Å; H228-G230 PolarHBondContact ND1-N 3.24Å; H228-G230 VanDerWaalsContact ND1-N 3.19Å; H228-G230 PolarHBondContact O-N 3.3Å; H228-G230 VanDerWaalsContact O-N 3.14Å
231	V	98	Very high	98.1	Very high	98 Å²	98	66.7 Å²	66.7	59%	0.594	41%	0.406	S	S	*	.	H	α-helix	trans	-87.5	-38.6	-178.7	172.1	0	0	0	0	110.3	H228	H228-V231 HydrophobicContact CB-CB 4.29Å; H228-V231 HydrophobicContact CB-CG2 4.25Å; H228-V231 PolarHBondContact ND1-N 2.93Å; H228-V231 PolarHBondContact O-N 3.49Å
232	F	98.6	Very high	98.1	Very high	82 Å²	82	64.9 Å²	64.9	36%	0.36	40%	0.398	S	S	.	.	H	α-helix	trans	-106.6	-11.4	-172.8	-63.2	-86.6	0	0	0	113.9	L227 H228 G234 S235 V236 I332	L227-F232 HydrophobicContact CB-CB 4.14Å; L227-F232 HydrophobicContact CB-CD2 3.69Å; L227-F232 HydrophobicContact CB-CE2 4.31Å; L227-F232 HydrophobicContact CB-CG 3.97Å; L227-F232 HydrophobicContact CD1-CB 4.15Å; L227-F232 HydrophobicContact CD1-CD1 4.31Å; L227-F232 HydrophobicContact CD1-CG 4.11Å; L227-F232 HydrophobicContact CD2-CD2 4.32Å; L227-F232 HydrophobicContact CD2-CE1 4.5Å; L227-F232 HydrophobicContact CD2-CE2 4.24Å; L227-F232 HydrophobicContact CD2-CG 4.48Å; L227-F232 HydrophobicContact CD2-CZ 4.33Å; L227-F232 HydrophobicContact CG-CD2 4.43Å; L227-F232 HydrophobicContact CG-CG 4.43Å; H228-F232 WeakPolarHBondContact O-CD2 3.28Å; H228-F232 PolarHBondContact O-N 3.39Å; H228-F232 VanDerWaalsContact O-N 3.12Å; F232-G234 PolarHBondContact O-N 2.84Å; F232-S235 WeakPolarHBondContact O-CB 3.21Å; F232-S235 PolarHBondContact O-N 3.13Å; F232-V236 HydrophobicContact CB-CG2 4.45Å; F232-I332 HydrophobicContact CB-CD1 4.19Å
233	G	97.9	Very high	98.1	Very high	37 Å²	37	63.1 Å²	63.1	38%	0.381	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	131.8	179.2	0	0	0	0	0	111.8	S229 S235	S229-G233 WeakPolarHBondContact O-CA 3.4Å; S229-G233 PolarHBondContact O-N 3.37Å; G233-S235 VanDerWaalsContact C-N 3.25Å; G233-S235 PolarHBondContact O-N 2.89Å
234	G	97.6	Very high	98.3	Very high	82 Å²	82	66.4 Å²	66.4	85%	0.845	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.4	-1.8	-174	0	0	0	0	0	115.1	F232	F232-G234 PolarHBondContact O-N 2.84Å
235	S	98.3	Very high	98.4	Very high	97 Å²	97	64 Å²	64	68%	0.678	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.5	-23.5	178.8	-55.4	0	0	0	0	114	F232 G233	F232-S235 WeakPolarHBondContact O-CB 3.21Å; F232-S235 PolarHBondContact O-N 3.13Å; G233-S235 VanDerWaalsContact C-N 3.25Å; G233-S235 PolarHBondContact O-N 2.89Å
236	V	98.4	Very high	98.5	Very high	54 Å²	54	58.3 Å²	58.3	33%	0.327	36%	0.364	S	S	.	.	S	Bend	trans	-122.6	154.2	-175.3	-60.1	0	0	0	0	111.6	L227 F232 E238 I332	L227-V236 HydrophobicContact CD1-CG1 4.37Å; L227-V236 HydrophobicContact CD1-CG2 4.17Å; F232-V236 HydrophobicContact CB-CG2 4.45Å; V236-E238 HydrophobicContact CG2-CG 4.25Å; V236-E238 PolarHBondContact O-N 3.02Å; V236-I332 HydrophobicContact CG2-CD1 4.08Å
237	H	98.7	Very high	98.5	Very high	105 Å²	105	55.2 Å²	55.2	49%	0.486	35%	0.347	S	S	.	.			trans	-80	110.1	168.6	-69.4	81.3	0	0	0	108.7	C222 P371 N372	C222-H237 VanDerWaalsContact CB-O 3.23Å; C222-H237 WeakPolarHBondContact CB-O 2.94Å; H237-P371 HydrophobicContact CB-CG 4.07Å; H237-P371 WeakPolarHBondContact ND1-CD 3.09Å; H237-N372 PolarHBondContact O-ND2 3.03Å; H237-N372 PolarHBondContact O-OD1 2.86Å
238	E	98.8	Very high	98.5	Very high	55 Å²	55	56.5 Å²	56.5	26%	0.257	37%	0.368	S	S	.	.			trans	-80.6	130.6	-173	-56.4	-176.9	-165.3	0	0	111.6	V236 M240 T241 D242 I332	V236-E238 HydrophobicContact CG2-CG 4.25Å; V236-E238 PolarHBondContact O-N 3.02Å; E238-M240 PolarHBondContact O-N 3.37Å; E238-T241 WeakPolarHBondContact O-CB 3.2Å; E238-T241 PolarHBondContact O-N 2.93Å; E238-D242 PolarHBondContact O-N 2.96Å; E238-I332 HydrophobicContact CB-CG2 4.03Å; E238-I332 HydrophobicContact CG-CD1 4.08Å; E238-I332 HydrophobicContact CG-CG1 4.26Å; E238-I332 HydrophobicContact CG-CG2 3.82Å
239	A	98.8	Very high	98.6	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-57.1	-35.2	179.1	0	0	0	0	0	112.9	V220 C222 T241 D242 L243 V336	V220-A239 HydrophobicContact CB-CB 4.22Å; V220-A239 HydrophobicContact CG1-CB 3.88Å; C222-A239 HydrophobicContact CB-CB 3.88Å; A239-T241 VanDerWaalsContact C-N 3.34Å; A239-T241 PolarHBondContact O-N 2.99Å; A239-D242 PolarHBondContact O-N 2.98Å; A239-L243 WeakPolarHBondContact O-CB 3.03Å; A239-L243 PolarHBondContact O-N 2.99Å; A239-V336 HydrophobicContact CB-CG2 3.87Å
240	M	98.8	Very high	98.6	Very high	46 Å²	46	50.8 Å²	50.8	23%	0.227	34%	0.34	C	S	.	.	H	α-helix	trans	-64.4	-35.3	175.4	-82.5	-65	-67.1	0	0	113.1	E238 I244 I319 A322 P333 V336	E238-M240 PolarHBondContact O-N 3.37Å; M240-I244 HydrophobicContact CE-CD1 4.18Å; M240-I244 HydrophobicContact CE-CG1 4.07Å; M240-I244 WeakPolarHBondContact O-CB 3.49Å; M240-I244 WeakPolarHBondContact O-CG1 3.35Å; M240-I244 PolarHBondContact O-N 3.17Å; M240-I319 HydrophobicContact CE-CD1 3.94Å; M240-I319 HydrophobicContact SD-CD1 4.22Å; M240-I319 HydrophobicContact SD-CG2 4.1Å; M240-A322 HydrophobicContact SD-CB 4Å; M240-P333 HydrophobicContact CG-CG 3.93Å; M240-V336 HydrophobicContact CG-CG1 4.03Å; M240-V336 HydrophobicContact SD-CB 4.24Å; M240-V336 HydrophobicContact SD-CG1 3.73Å; M240-V336 HydrophobicContact SD-CG2 4.24Å
241	T	98.9	Very high	98.6	Very high	88 Å²	88	49.4 Å²	49.4	54%	0.54	32%	0.318	S	S	.	.	H	α-helix	trans	-63.4	-47	178.4	-65.7	0	0	0	0	110.2	E238 A239 S245	E238-T241 WeakPolarHBondContact O-CB 3.2Å; E238-T241 PolarHBondContact O-N 2.93Å; A239-T241 VanDerWaalsContact C-N 3.34Å; A239-T241 PolarHBondContact O-N 2.99Å; T241-S245 WeakPolarHBondContact O-CB 3.43Å; T241-S245 PolarHBondContact O-N 3.46Å
242	D	98.9	Very high	98.6	Very high	10 Å²	10	47.3 Å²	47.3	5%	0.053	30%	0.304	C	S	.	.	H	α-helix	trans	-64.8	-49.2	177.8	-63.1	-23.6	0	0	0	111.4	V220 E238 A239 I244 S245 L246 F365 L368 S370 N372	V220-D242 HydrophobicContact CG1-CB 4.1Å; E238-D242 PolarHBondContact O-N 2.96Å; A239-D242 PolarHBondContact O-N 2.98Å; D242-I244 PolarHBondContact O-N 3.35Å; D242-S245 WeakPolarHBondContact O-CB 3.42Å; D242-S245 PolarHBondContact O-N 2.98Å; D242-S245 VanDerWaalsContact O-N 3.16Å; D242-L246 VanDerWaalsContact O-CG 3.32Å; D242-L246 WeakPolarHBondContact O-CG 3.43Å; D242-L246 PolarHBondContact O-N 3.44Å; D242-F365 HydrophobicContact CB-CD2 4.38Å; D242-F365 HydrophobicContact CB-CE2 4Å; D242-L368 HydrophobicContact CB-CD1 3.91Å; D242-S370 WeakPolarHBondContact OD1-CB 3.35Å; D242-S370 VanDerWaalsContact OD2-CB 3.29Å; D242-S370 WeakPolarHBondContact OD2-CB 3.44Å; D242-S370 PolarHBondContact OD2-OG 3.44Å; D242-N372 PolarHBondContact OD2-ND2 2.91Å
243	L	98.9	Very high	98.5	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-60.4	-44.5	-176.6	-177.6	64.2	0	0	0	112.2	V218 V220 A239 S245 L246 M247 I319 V336	V218-L243 HydrophobicContact CB-CD1 3.95Å; V218-L243 HydrophobicContact CG1-CD1 3.78Å; V218-L243 WeakPolarHBondContact O-CD1 3.14Å; V220-L243 HydrophobicContact CG2-CB 4.21Å; V220-L243 HydrophobicContact CG2-CD1 4.29Å; A239-L243 WeakPolarHBondContact O-CB 3.03Å; A239-L243 PolarHBondContact O-N 2.99Å; L243-S245 VanDerWaalsContact C-N 3.31Å; L243-S245 PolarHBondContact O-N 3.26Å; L243-L246 PolarHBondContact O-N 3.27Å; L243-M247 HydrophobicContact CD1-CG 4.06Å; L243-M247 HydrophobicContact CD1-SD 4.03Å; L243-M247 HydrophobicContact CD2-SD 4.32Å; L243-M247 HydrophobicContact CG-CG 4.3Å; L243-M247 HydrophobicContact CG-SD 3.92Å; L243-M247 WeakPolarHBondContact O-CB 3.4Å; L243-M247 WeakPolarHBondContact O-CG 3.15Å; L243-M247 PolarHBondContact O-N 3.03Å; L243-I319 HydrophobicContact CD2-CB 4.45Å; L243-I319 HydrophobicContact CD2-CD1 4.06Å; L243-I319 HydrophobicContact CD2-CG1 4.03Å; L243-I319 HydrophobicContact CD2-CG2 3.64Å; L243-V336 HydrophobicContact CB-CG2 3.93Å; L243-V336 HydrophobicContact CD2-CB 3.74Å; L243-V336 HydrophobicContact CD2-CG2 3.46Å; L243-V336 VanDerWaalsContact CD2-CG2 3.46Å; L243-V336 HydrophobicContact CG-CG2 4.29Å
244	I	98.9	Very high	98.4	Very high	95 Å²	95	60 Å²	60	49%	0.487	34%	0.343	S	S	.	.	H	α-helix	trans	-62.9	-40.6	178.1	-68.3	-67.8	0	0	0	110.9	M240 D242 G248 I319	M240-I244 HydrophobicContact CE-CD1 4.18Å; M240-I244 HydrophobicContact CE-CG1 4.07Å; M240-I244 WeakPolarHBondContact O-CB 3.49Å; M240-I244 WeakPolarHBondContact O-CG1 3.35Å; M240-I244 PolarHBondContact O-N 3.17Å; D242-I244 PolarHBondContact O-N 3.35Å; I244-G248 PolarHBondContact O-N 2.86Å; I244-I319 HydrophobicContact CD1-CD1 3.75Å
245	S	98.8	Very high	98.4	Very high	58 Å²	58	57.3 Å²	57.3	41%	0.406	32%	0.315	S	S	.	.	H	α-helix	trans	-61.2	-45.9	175.8	-171.7	0	0	0	0	111.7	T241 D242 L243 S249 L368	T241-S245 WeakPolarHBondContact O-CB 3.43Å; T241-S245 PolarHBondContact O-N 3.46Å; D242-S245 WeakPolarHBondContact O-CB 3.42Å; D242-S245 PolarHBondContact O-N 2.98Å; D242-S245 VanDerWaalsContact O-N 3.16Å; L243-S245 VanDerWaalsContact C-N 3.31Å; L243-S245 PolarHBondContact O-N 3.26Å; S245-S249 PolarHBondContact O-N 2.75Å; S245-L368 WeakPolarHBondContact OG-CD2 3.19Å
246	L	98.9	Very high	98.4	Very high	4 Å²	4	58.3 Å²	58.3	2%	0.021	31%	0.308	C	S	.	.	H	α-helix	trans	-63	-52.4	178.2	-66.2	172.6	0	0	0	111.5	V218 V220 D242 L243 G248 S249 V361 R364 F365 L374	V218-L246 HydrophobicContact CG1-CD1 3.94Å; V220-L246 HydrophobicContact CG2-CD1 4.29Å; D242-L246 VanDerWaalsContact O-CG 3.32Å; D242-L246 WeakPolarHBondContact O-CG 3.43Å; D242-L246 PolarHBondContact O-N 3.44Å; L243-L246 PolarHBondContact O-N 3.27Å; L246-G248 VanDerWaalsContact C-N 3.33Å; L246-G248 PolarHBondContact O-N 3.46Å; L246-S249 WeakPolarHBondContact O-CB 3.45Å; L246-S249 PolarHBondContact O-N 3.4Å; L246-S249 VanDerWaalsContact O-N 3.07Å; L246-S249 PolarHBondContact O-OG 2.93Å; L246-V361 HydrophobicContact CD1-CG1 4.17Å; L246-V361 HydrophobicContact CD2-CG1 4.25Å; L246-R364 HydrophobicContact CD2-CB 3.63Å; L246-F365 HydrophobicContact CD1-CB 4.33Å; L246-F365 HydrophobicContact CD1-CD2 3.95Å; L246-F365 HydrophobicContact CD2-CB 3.92Å; L246-L374 HydrophobicContact CD1-CD1 4.02Å
247	M	98.8	Very high	98.4	Very high	12 Å²	12	55.9 Å²	55.9	6%	0.059	29%	0.293	C	S	.	.	H	α-helix	trans	-62.8	-39.1	-178.1	-67.9	-175.3	77.6	0	0	112.1	L243 S249 L250 L316 I319	L243-M247 HydrophobicContact CD1-CG 4.06Å; L243-M247 HydrophobicContact CD1-SD 4.03Å; L243-M247 HydrophobicContact CD2-SD 4.32Å; L243-M247 HydrophobicContact CG-CG 4.3Å; L243-M247 HydrophobicContact CG-SD 3.92Å; L243-M247 WeakPolarHBondContact O-CB 3.4Å; L243-M247 WeakPolarHBondContact O-CG 3.15Å; L243-M247 PolarHBondContact O-N 3.03Å; M247-S249 PolarHBondContact O-N 3.22Å; M247-L250 PolarHBondContact O-N 3.43Å; M247-L316 HydrophobicContact CB-CD1 4.44Å; M247-L316 HydrophobicContact CB-CD2 4.44Å; M247-L316 HydrophobicContact CE-CB 4.21Å; M247-L316 HydrophobicContact CE-CD2 3.98Å; M247-L316 HydrophobicContact CE-CG 4.49Å; M247-I319 HydrophobicContact SD-CD1 4.33Å; M247-I319 HydrophobicContact SD-CG1 4.05Å
248	G	98.7	Very high	98.4	Very high	58 Å²	58	54.4 Å²	54.4	60%	0.598	29%	0.288	S	S	*	.	H	α-helix	trans	-67.2	-11.4	176.2	0	0	0	0	0	114.6	I244 L246	I244-G248 PolarHBondContact O-N 2.86Å; L246-G248 VanDerWaalsContact C-N 3.33Å; L246-G248 PolarHBondContact O-N 3.46Å
249	S	98.6	Very high	98.4	Very high	20 Å²	20	52 Å²	52	14%	0.14	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-1.6	179.5	81.4	0	0	0	0	114.3	S245 L246 M247 L258 Y360	S245-S249 PolarHBondContact O-N 2.75Å; L246-S249 WeakPolarHBondContact O-CB 3.45Å; L246-S249 PolarHBondContact O-N 3.4Å; L246-S249 VanDerWaalsContact O-N 3.07Å; L246-S249 PolarHBondContact O-OG 2.93Å; M247-S249 PolarHBondContact O-N 3.22Å; S249-L258 WeakPolarHBondContact O-CB 3.35Å; S249-Y360 PolarHBondContact O-OH 3.19Å
250	L	98.8	Very high	98.4	Very high	2 Å²	2	56.2 Å²	56.2	1%	0.01	30%	0.304	C	S	.	.	S	Bend	trans	-86.6	-35.9	-170	-63.7	176.3	0	0	0	114	M247 L258 I259 L314 L316 F340 Y360 V361	M247-L250 PolarHBondContact O-N 3.43Å; L250-L258 PolarHBondContact O-N 3.2Å; L250-I259 HydrophobicContact CD2-CD1 4.24Å; L250-I259 HydrophobicContact CD2-CG1 4.33Å; L250-L314 HydrophobicContact CB-CD1 3.81Å; L250-L314 HydrophobicContact CB-CD2 4.11Å; L250-L316 HydrophobicContact CD1-CD2 3.95Å; L250-F340 HydrophobicContact CD1-CD1 3.71Å; L250-F340 HydrophobicContact CD1-CD2 4.04Å; L250-F340 HydrophobicContact CD1-CE1 3.69Å; L250-F340 HydrophobicContact CD1-CE2 4.03Å; L250-F340 HydrophobicContact CD1-CG 3.88Å; L250-F340 HydrophobicContact CD1-CZ 3.84Å; L250-F340 HydrophobicContact CD2-CZ 4.36Å; L250-Y360 HydrophobicContact CD2-CD1 4.17Å; L250-Y360 HydrophobicContact CD2-CE1 4.11Å; L250-V361 HydrophobicContact CD2-CG2 4.14Å
251	V	98.7	Very high	98.4	Very high	35 Å²	35	55 Å²	55	21%	0.212	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-144	142.5	-175.1	64.4	0	0	0	0	110.4	K256 L314	V251-K256 WeakPolarHBondContact CA-O 3.49Å; V251-K256 WeakPolarHBondContact CG2-O 3.36Å; V251-L314 HydrophobicContact CB-CB 4.38Å; V251-L314 HydrophobicContact CB-CD2 4.11Å; V251-L314 HydrophobicContact CG1-CD2 3.92Å
252	D	98.4	Very high	98.3	Very high	54 Å²	54	50.9 Å²	50.9	29%	0.289	28%	0.278	S	S	.	.			trans	-87.6	174.4	178.4	80.4	8.1	0	0	0	113.5	R254 G255 K256 L258	D252-R254 PolarHBondContact O-N 3.14Å; D252-R254 VanDerWaalsContact OD1-CA 3.29Å; D252-R254 WeakPolarHBondContact OD1-CA 3.33Å; D252-R254 WeakPolarHBondContact OD1-CB 3.39Å; D252-R254 PolarHBondContact OD1-N 2.98Å; D252-G255 PolarHBondContact O-N 3.18Å; D252-G255 PolarHBondContact OD1-N 3.05Å; D252-G255 VanDerWaalsContact OD1-N 3.11Å; D252-K256 PolarHBondContact N-O 3.12Å; D252-K256 WeakPolarHBondContact OD1-CB 3.48Å; D252-K256 PolarHBondContact OD1-N 3.19Å; D252-K256 WeakPolarHBondContact OD2-CB 3.26Å; D252-L258 HydrophobicContact CB-CD1 4.27Å; D252-L258 HydrophobicContact CB-CD2 4.15Å; D252-L258 HydrophobicContact CB-CG 4.35Å
253	K	96.8	Very high	98.3	Very high	195 Å²	195	54.1 Å²	54.1	85%	0.848	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-6.5	178.5	67.9	-176.8	175.8	-174.1	0	115.5
254	R	95.5	Very high	98.3	Very high	189 Å²	189	60.6 Å²	60.6	71%	0.713	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.7	8.8	176.4	-63.5	-172.1	174.3	-166.9	-1.1	111.9	D252 K256	D252-R254 PolarHBondContact O-N 3.14Å; D252-R254 VanDerWaalsContact OD1-CA 3.29Å; D252-R254 WeakPolarHBondContact OD1-CA 3.33Å; D252-R254 WeakPolarHBondContact OD1-CB 3.39Å; D252-R254 PolarHBondContact OD1-N 2.98Å; R254-K256 VanDerWaalsContact C-N 3.31Å
255	G	97.4	Very high	98.1	Very high	26 Å²	26	58.7 Å²	58.7	27%	0.268	32%	0.32	S	S	.	.	S	Bend	trans	77.8	11.6	-179	0	0	0	0	0	114.1	D252	D252-G255 PolarHBondContact O-N 3.18Å; D252-G255 PolarHBondContact OD1-N 3.05Å; D252-G255 VanDerWaalsContact OD1-N 3.11Å
256	K	98.3	Very high	98.1	Very high	119 Å²	119	57 Å²	57	52%	0.517	31%	0.307	S	S	.	.			trans	-79.1	127.3	175.6	-174.7	-177.1	176.2	-179.7	0	109.7	V251 D252 R254 Y263	V251-K256 WeakPolarHBondContact CA-O 3.49Å; V251-K256 WeakPolarHBondContact CG2-O 3.36Å; D252-K256 PolarHBondContact N-O 3.12Å; D252-K256 WeakPolarHBondContact OD1-CB 3.48Å; D252-K256 PolarHBondContact OD1-N 3.19Å; D252-K256 WeakPolarHBondContact OD2-CB 3.26Å; R254-K256 VanDerWaalsContact C-N 3.31Å; K256-Y263 HydrophobicContact CG-CE2 4.11Å
257	I	98.8	Very high	97.9	Very high	3 Å²	3	57.8 Å²	57.8	2%	0.015	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-71.2	131	176.1	-50.3	177.6	0	0	0	108.8	I259 M262 Y263 P312 L314 I342	I257-I259 HydrophobicContact CG2-CB 4.09Å; I257-I259 HydrophobicContact CG2-CD1 3.82Å; I257-I259 HydrophobicContact CG2-CG1 4.11Å; I257-M262 HydrophobicContact CB-CG 4.01Å; I257-M262 HydrophobicContact CD1-CG 3.83Å; I257-M262 HydrophobicContact CD1-SD 4.48Å; I257-M262 HydrophobicContact CG2-CB 4.31Å; I257-M262 HydrophobicContact CG2-CE 4.38Å; I257-M262 HydrophobicContact CG2-CG 3.82Å; I257-Y263 HydrophobicContact CB-CE2 4.19Å; I257-Y263 PolarHBondContact N-OH 2.82Å; I257-Y263 WeakPolarHBondContact O-CE2 3.05Å; I257-P312 HydrophobicContact CD1-CB 3.92Å; I257-P312 HydrophobicContact CD1-CG 4.17Å; I257-L314 HydrophobicContact CD1-CB 4.08Å; I257-L314 HydrophobicContact CG1-CB 3.91Å; I257-L314 HydrophobicContact CG2-CD1 4.08Å; I257-I342 HydrophobicContact CD1-CG2 4.05Å
258	L	98.8	Very high	97.8	Very high	73 Å²	73	62.2 Å²	62.2	38%	0.382	34%	0.344	S	S	.	.			trans	-95.9	-4.9	-173.5	-64.6	178.4	0	0	0	113.6	S249 L250 D252 P260	S249-L258 WeakPolarHBondContact O-CB 3.35Å; L250-L258 PolarHBondContact O-N 3.2Å; D252-L258 HydrophobicContact CB-CD1 4.27Å; D252-L258 HydrophobicContact CB-CD2 4.15Å; D252-L258 HydrophobicContact CB-CG 4.35Å; L258-P260 WeakPolarHBondContact O-CD 3.28Å
259	I	98.8	Very high	97.6	Very high	4 Å²	4	62.1 Å²	62.1	2%	0.021	33%	0.329	C	S	.	.	S	Bend	trans	-67.2	122.3	176.6	-62	156.4	0	0	0	109.2	L250 I257 M262 L314 I342 Q356 V357 Y360	L250-I259 HydrophobicContact CD2-CD1 4.24Å; L250-I259 HydrophobicContact CD2-CG1 4.33Å; I257-I259 HydrophobicContact CG2-CB 4.09Å; I257-I259 HydrophobicContact CG2-CD1 3.82Å; I257-I259 HydrophobicContact CG2-CG1 4.11Å; I259-M262 HydrophobicContact CB-CE 3.8Å; I259-M262 HydrophobicContact CD1-CE 3.79Å; I259-M262 HydrophobicContact CG1-CE 4.43Å; I259-M262 HydrophobicContact CG2-CE 3.7Å; I259-M262 VanDerWaalsContact O-CB 3.31Å; I259-M262 WeakPolarHBondContact O-CB 3.38Å; I259-M262 PolarHBondContact O-N 3.45Å; I259-L314 HydrophobicContact CD1-CD1 4.15Å; I259-I342 HydrophobicContact CD1-CD1 3.91Å; I259-Q356 HydrophobicContact CG2-CB 4.06Å; I259-V357 HydrophobicContact CD1-CG2 3.73Å; I259-Y360 HydrophobicContact CB-CD1 4.47Å; I259-Y360 HydrophobicContact CG1-CD1 3.69Å; I259-Y360 HydrophobicContact CG1-CE1 4.11Å; I259-Y360 HydrophobicContact CG1-CG 4.2Å; I259-Y360 HydrophobicContact CG2-CG 4.39Å
260	P	98.6	Very high	97.4	Very high	89 Å²	89	64.7 Å²	64.7	58%	0.578	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	138.4	178.3	-25.4	35.2	0	0	0	112.6	L258 M262 Y360	L258-P260 WeakPolarHBondContact O-CD 3.28Å; P260-M262 VanDerWaalsContact C-N 3.28Å; P260-M262 PolarHBondContact O-N 3.49Å; P260-Y360 HydrophobicContact CG-CD2 4.13Å; P260-Y360 HydrophobicContact CG-CE2 4.46Å
261	G	97.9	Very high	97.2	Very high	21 Å²	21	70.3 Å²	70.3	22%	0.216	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.1	-2.8	178.6	0	0	0	0	0	115.6	Y263 D264 Q356	G261-Y263 PolarHBondContact O-N 3.1Å; G261-Y263 VanDerWaalsContact O-N 3.16Å; G261-D264 VanDerWaalsContact CA-OD2 3.29Å; G261-D264 WeakPolarHBondContact CA-OD2 3.31Å; G261-D264 WeakPolarHBondContact O-CB 3.37Å; G261-D264 PolarHBondContact O-N 3.5Å; G261-D264 VanDerWaalsContact O-N 3.17Å; G261-Q356 VanDerWaalsContact C-NE2 3.33Å; G261-Q356 PolarHBondContact O-NE2 2.94Å
262	M	98	Very high	96.9	Very high	2 Å²	2	74 Å²	74	1%	0.01	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-27.3	-176.6	-170	59.7	55.1	0	0	113.9	I257 I259 P260 I342 M348 V353 V357	I257-M262 HydrophobicContact CB-CG 4.01Å; I257-M262 HydrophobicContact CD1-CG 3.83Å; I257-M262 HydrophobicContact CD1-SD 4.48Å; I257-M262 HydrophobicContact CG2-CB 4.31Å; I257-M262 HydrophobicContact CG2-CE 4.38Å; I257-M262 HydrophobicContact CG2-CG 3.82Å; I259-M262 HydrophobicContact CB-CE 3.8Å; I259-M262 HydrophobicContact CD1-CE 3.79Å; I259-M262 HydrophobicContact CG1-CE 4.43Å; I259-M262 HydrophobicContact CG2-CE 3.7Å; I259-M262 VanDerWaalsContact O-CB 3.31Å; I259-M262 WeakPolarHBondContact O-CB 3.38Å; I259-M262 PolarHBondContact O-N 3.45Å; P260-M262 VanDerWaalsContact C-N 3.28Å; P260-M262 PolarHBondContact O-N 3.49Å; M262-I342 HydrophobicContact CE-CD1 3.6Å; M262-I342 HydrophobicContact SD-CD1 4.11Å; M262-I342 HydrophobicContact SD-CG2 4.19Å; M262-M348 HydrophobicContact CG-CE 4.38Å; M262-M348 HydrophobicContact SD-CE 3.56Å; M262-M348 VanDerWaalsContact SD-CE 3.56Å; M262-V353 HydrophobicContact CE-CG1 4.19Å; M262-V353 HydrophobicContact SD-CG1 4.31Å; M262-V353 HydrophobicContact SD-CG2 4.48Å; M262-V357 HydrophobicContact CE-CG2 4.32Å
263	Y	98.3	Very high	96.6	Very high	78 Å²	78	72.8 Å²	72.8	31%	0.306	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-3.2	-177.9	-64.2	-85.2	0	0	0	113.3	K256 I257 G261 S265 V266 P312	K256-Y263 HydrophobicContact CG-CE2 4.11Å; I257-Y263 HydrophobicContact CB-CE2 4.19Å; I257-Y263 PolarHBondContact N-OH 2.82Å; I257-Y263 WeakPolarHBondContact O-CE2 3.05Å; G261-Y263 PolarHBondContact O-N 3.1Å; G261-Y263 VanDerWaalsContact O-N 3.16Å; Y263-S265 VanDerWaalsContact C-N 3.31Å; Y263-S265 PolarHBondContact O-N 2.89Å; Y263-V266 HydrophobicContact CD1-CG2 4.19Å; Y263-V266 PolarHBondContact O-N 3.01Å; Y263-V266 VanDerWaalsContact O-N 3.15Å; Y263-P312 HydrophobicContact CD1-CG 4.05Å; Y263-P312 HydrophobicContact CE1-CG 3.69Å
264	D	98.1	Very high	96.5	Very high	135 Å²	135	68 Å²	68	72%	0.722	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-36.6	-171.8	-66.7	-0.9	0	0	0	111.9	G261	G261-D264 VanDerWaalsContact CA-OD2 3.29Å; G261-D264 WeakPolarHBondContact CA-OD2 3.31Å; G261-D264 WeakPolarHBondContact O-CB 3.37Å; G261-D264 PolarHBondContact O-N 3.5Å; G261-D264 VanDerWaalsContact O-N 3.17Å
265	S	96.1	Very high	96.4	Very high	56 Å²	56	64 Å²	64	39%	0.392	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	10.5	177.4	-51.2	0	0	0	0	113.2	Y263 A267 D347	Y263-S265 VanDerWaalsContact C-N 3.31Å; Y263-S265 PolarHBondContact O-N 2.89Å; S265-A267 PolarHBondContact O-N 2.93Å; S265-D347 WeakPolarHBondContact CB-O 2.81Å; S265-D347 CarbonylContact O-C 3.56Å; S265-D347 WeakPolarHBondContact O-CB 3.47Å
266	V	97.9	Very high	96.3	Very high	23 Å²	23	66 Å²	66	14%	0.139	35%	0.353	C	S	.	.	S	Bend	trans	-74.4	118.2	174.9	173.6	0	0	0	0	107.8	Y263 Y311 P312 V345 M348	Y263-V266 HydrophobicContact CD1-CG2 4.19Å; Y263-V266 PolarHBondContact O-N 3.01Å; Y263-V266 VanDerWaalsContact O-N 3.15Å; V266-Y311 HydrophobicContact CG1-CD1 4.07Å; V266-Y311 HydrophobicContact CG1-CE1 4.37Å; V266-P312 HydrophobicContact CG2-CG 4.01Å; V266-V345 HydrophobicContact CG1-CG2 4.13Å; V266-V345 HydrophobicContact CG2-CG2 3.98Å; V266-M348 HydrophobicContact CG2-CG 4.47Å; V266-M348 HydrophobicContact CG2-SD 4.13Å
267	A	94.9	Very high	96.2	Very high	19 Å²	19	60.5 Å²	60.5	16%	0.157	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-46.6	141.5	177.9	0	0	0	0	0	111.5	S265 R310 D347	S265-A267 PolarHBondContact O-N 2.93Å; A267-R310 PolarHBondContact O-NH2 3.27Å; A267-D347 WeakPolarHBondContact CB-OD2 3.41Å
268	P	95.8	Very high	95.9	Very high	106 Å²	106	66 Å²	66	69%	0.688	35%	0.354	S	S	*	.	P	Polyproline II helix	trans	-67.7	144.4	175.1	27.6	-33.5	0	0	0	110.9	T270	P268-T270 PolarHBondContact O-N 3.5Å
269	L	95.5	Very high	95.6	Very high	56 Å²	56	70.8 Å²	70.8	29%	0.293	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-70.7	119.6	171.1	177.3	67.8	0	0	0	109.2	E273 K274 Y277 M306	L269-E273 HydrophobicContact CD1-CB 4.15Å; L269-E273 HydrophobicContact CD1-CG 4.07Å; L269-K274 HydrophobicContact CD1-CB 4.31Å; L269-K274 HydrophobicContact CD2-CB 4.36Å; L269-K274 HydrophobicContact CD2-CD 4.44Å; L269-K274 HydrophobicContact CD2-CG 4.41Å; L269-K274 HydrophobicContact CG-CB 4.37Å; L269-Y277 HydrophobicContact CD1-CE2 4.42Å; L269-M306 HydrophobicContact CD1-SD 4.23Å; L269-M306 HydrophobicContact CD2-SD 3.69Å
270	T	94.7	Very high	95.5	Very high	73 Å²	73	71.1 Å²	71.1	45%	0.448	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-87.3	156.3	174.5	69.2	0	0	0	0	111.1	P268 D272 E273 K274	P268-T270 PolarHBondContact O-N 3.5Å; T270-D272 PolarHBondContact O-N 2.84Å; T270-E273 PolarHBondContact O-N 2.82Å; T270-E273 VanDerWaalsContact OG1-CB 3.29Å; T270-E273 WeakPolarHBondContact OG1-CB 3.35Å; T270-E273 PolarHBondContact OG1-N 2.67Å; T270-E273 VanDerWaalsContact OG1-N 3.07Å; T270-K274 WeakPolarHBondContact O-CB 3.45Å; T270-K274 PolarHBondContact O-N 3.42Å
271	E	94.6	Very high	95.4	Very high	120 Å²	120	69.6 Å²	69.6	56%	0.561	36%	0.361	S	S	*	.	H	α-helix	trans	-64.6	-29.4	175.9	-70.2	-58.4	133.1	0	0	112.5	K274 K275	E271-K274 IonicContact OE2-NZ 2.68Å; E271-K275 WeakPolarHBondContact O-CG 3.49Å; E271-K275 PolarHBondContact O-N 2.87Å
272	D	91.8	Very high	95.4	Very high	112 Å²	112	69.4 Å²	69.4	60%	0.599	35%	0.354	S	S	*	.	H	α-helix	trans	-75.4	-39.3	176.6	-68.7	-26.3	0	0	0	112	T270 K274 K275	T270-D272 PolarHBondContact O-N 2.84Å; D272-K274 VanDerWaalsContact C-N 3.32Å; D272-K274 PolarHBondContact O-N 3.36Å; D272-K275 PolarHBondContact O-N 3.43Å; D272-K275 IonicContact OD1-NZ 3.01Å; D272-K275 PolarHBondContact OD1-NZ 2.97Å
273	E	92.3	Very high	95.3	Very high	29 Å²	29	73.3 Å²	73.3	14%	0.136	38%	0.375	C	S	.	.	H	α-helix	trans	-61.4	-42.3	170.7	-173.2	-175.5	-175.3	0	0	110.7	L269 T270 K275 L276 Y277 R310 R413	L269-E273 HydrophobicContact CD1-CB 4.15Å; L269-E273 HydrophobicContact CD1-CG 4.07Å; T270-E273 PolarHBondContact O-N 2.82Å; T270-E273 VanDerWaalsContact OG1-CB 3.29Å; T270-E273 WeakPolarHBondContact OG1-CB 3.35Å; T270-E273 PolarHBondContact OG1-N 2.67Å; T270-E273 VanDerWaalsContact OG1-N 3.07Å; E273-K275 VanDerWaalsContact C-N 3.33Å; E273-K275 PolarHBondContact O-N 2.69Å; E273-L276 VanDerWaalsContact O-CB 3.27Å; E273-L276 WeakPolarHBondContact O-CB 3.27Å; E273-L276 PolarHBondContact O-N 2.82Å; E273-Y277 HydrophobicContact CG-CE2 4.12Å; E273-Y277 WeakPolarHBondContact O-CD2 3.07Å; E273-R310 IonicContact OE1-NE 2.7Å; E273-R310 PolarHBondContact OE1-NE 3.08Å; E273-R310 IonicContact OE2-NE 3.37Å; E273-R413 IonicContact OE1-NH1 3.02Å; E273-R413 PolarHBondContact OE1-NH1 3.23Å
274	K	93.9	Very high	95.2	Very high	95 Å²	95	71.6 Å²	71.6	41%	0.413	37%	0.371	S	S	.	.	H	α-helix	trans	-58.7	-41.5	180	-173.5	179.2	172.6	-169.7	0	112.9	L269 T270 E271 D272 L276 Y277	L269-K274 HydrophobicContact CD1-CB 4.31Å; L269-K274 HydrophobicContact CD2-CB 4.36Å; L269-K274 HydrophobicContact CD2-CD 4.44Å; L269-K274 HydrophobicContact CD2-CG 4.41Å; L269-K274 HydrophobicContact CG-CB 4.37Å; T270-K274 WeakPolarHBondContact O-CB 3.45Å; T270-K274 PolarHBondContact O-N 3.42Å; E271-K274 IonicContact OE2-NZ 2.68Å; D272-K274 VanDerWaalsContact C-N 3.32Å; D272-K274 PolarHBondContact O-N 3.36Å; K274-L276 PolarHBondContact O-N 2.99Å; K274-Y277 PolarHBondContact O-N 2.88Å
275	K	94.8	Very high	95	Very high	106 Å²	106	69.6 Å²	69.6	46%	0.461	37%	0.367	S	S	.	.	H	α-helix	trans	-63.1	-24.8	177.4	-70.2	166.8	-162.6	158	0	113.1	E271 D272 E273 Y277 E278	E271-K275 WeakPolarHBondContact O-CG 3.49Å; E271-K275 PolarHBondContact O-N 2.87Å; D272-K275 PolarHBondContact O-N 3.43Å; D272-K275 IonicContact OD1-NZ 3.01Å; D272-K275 PolarHBondContact OD1-NZ 2.97Å; E273-K275 VanDerWaalsContact C-N 3.33Å; E273-K275 PolarHBondContact O-N 2.69Å; K275-Y277 VanDerWaalsContact C-N 3.27Å; K275-Y277 PolarHBondContact O-N 3.21Å; K275-E278 PolarHBondContact O-N 3.36Å
276	L	93.9	Very high	95	Very high	67 Å²	67	69.9 Å²	69.9	35%	0.351	36%	0.363	S	S	.	.	H	α-helix	trans	-62.7	-37.2	178.8	-61	176.4	0	0	0	111.2	E273 K274 E278 I280 F389	E273-L276 VanDerWaalsContact O-CB 3.27Å; E273-L276 WeakPolarHBondContact O-CB 3.27Å; E273-L276 PolarHBondContact O-N 2.82Å; K274-L276 PolarHBondContact O-N 2.99Å; L276-E278 VanDerWaalsContact C-N 3.33Å; L276-E278 PolarHBondContact O-N 3.35Å; L276-I280 WeakPolarHBondContact O-CG1 3.29Å; L276-F389 HydrophobicContact CD1-CE1 4.33Å; L276-F389 HydrophobicContact CD1-CZ 4.18Å
277	Y	96.2	Very high	94.8	Very high	4 Å²	4	71.8 Å²	71.8	2%	0.016	37%	0.368	C	S	.	.	H	α-helix	trans	-70.4	-25.7	-177.4	-62.8	-82	0	0	0	114	L269 E273 K274 K275 K279 I280 K301 L305 M306 W309	L269-Y277 HydrophobicContact CD1-CE2 4.42Å; E273-Y277 HydrophobicContact CG-CE2 4.12Å; E273-Y277 WeakPolarHBondContact O-CD2 3.07Å; K274-Y277 PolarHBondContact O-N 2.88Å; K275-Y277 VanDerWaalsContact C-N 3.27Å; K275-Y277 PolarHBondContact O-N 3.21Å; Y277-K279 VanDerWaalsContact C-N 3.31Å; Y277-K279 PolarHBondContact O-N 3.06Å; Y277-I280 PolarHBondContact O-N 2.87Å; Y277-K301 WeakPolarHBondContact O-CE 3.27Å; Y277-K301 PolarHBondContact O-NZ 3.08Å; Y277-L305 HydrophobicContact CD1-CB 3.66Å; Y277-L305 HydrophobicContact CD1-CD1 4.21Å; Y277-L305 HydrophobicContact CE1-CB 3.88Å; Y277-M306 HydrophobicContact CD1-CG 4.37Å; Y277-M306 HydrophobicContact CD2-CG 4.21Å; Y277-M306 HydrophobicContact CE1-CG 3.9Å; Y277-M306 HydrophobicContact CE2-CG 3.74Å; Y277-M306 HydrophobicContact CE2-SD 4.48Å; Y277-W309 HydrophobicContact CD1-CE3 4Å; Y277-W309 AromaticContact CD1-CZ3 3.95Å; Y277-W309 HydrophobicContact CD1-CZ3 3.95Å; Y277-W309 HydrophobicContact CE1-CD2 4.2Å; Y277-W309 AromaticContact CE1-CE3 3.33Å; Y277-W309 HydrophobicContact CE1-CE3 3.33Å; Y277-W309 AromaticContact CE1-CZ3 3.76Å; Y277-W309 HydrophobicContact CE1-CZ3 3.76Å
278	E	93.5	Very high	94.8	Very high	118 Å²	118	72.1 Å²	72.1	55%	0.551	37%	0.369	S	S	*	.	H	α-helix	trans	-62	-40.9	-175.3	-65.8	179.1	-178.2	0	0	111.6	K275 L276 K301	K275-E278 PolarHBondContact O-N 3.36Å; L276-E278 VanDerWaalsContact C-N 3.33Å; L276-E278 PolarHBondContact O-N 3.35Å; E278-K301 PolarHBondContact O-NZ 2.95Å
279	K	92	Very high	94.8	Very high	174 Å²	174	75.2 Å²	75.2	76%	0.757	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-10.9	-173.5	-63.8	-177.3	-178.1	176.9	0	114.6	Y277 D281	Y277-K279 VanDerWaalsContact C-N 3.31Å; Y277-K279 PolarHBondContact O-N 3.06Å; K279-D281 PolarHBondContact O-N 3.48Å
280	I	96.9	Very high	94.6	Very high	10 Å²	10	75.4 Å²	75.4	5%	0.051	37%	0.372	C	S	.	.			trans	-65.1	131.5	-178.6	-62	-61.9	0	0	0	110.3	L199 L276 Y277 F282 K301 L305 W309 D410 L411	L199-I280 HydrophobicContact CD2-CG2 3.2Å; L276-I280 WeakPolarHBondContact O-CG1 3.29Å; Y277-I280 PolarHBondContact O-N 2.87Å; I280-F282 HydrophobicContact CG2-CB 4.3Å; I280-F282 PolarHBondContact O-N 3.18Å; I280-K301 PolarHBondContact O-NZ 2.67Å; I280-L305 HydrophobicContact CB-CD1 4.03Å; I280-L305 HydrophobicContact CG1-CD1 4.49Å; I280-L305 HydrophobicContact CG2-CD1 3.73Å; I280-W309 HydrophobicContact CD1-CH2 4.3Å; I280-W309 HydrophobicContact CG1-CH2 4.19Å; I280-W309 HydrophobicContact CG1-CZ3 4.36Å; I280-W309 HydrophobicContact CG2-CH2 4.17Å; I280-D410 HydrophobicContact CD1-CB 3.91Å; I280-L411 WeakPolarHBondContact CD1-O 3.39Å
281	D	96.8	Very high	94.4	Very high	58 Å²	58	75.5 Å²	75.5	31%	0.31	37%	0.373	S	S	.	.			trans	-78.4	109.9	170.4	-161.6	83.1	0	0	0	109.7	T202 K203 K279 D410	T202-D281 PolarHBondContact OG1-OD2 2.87Å; K203-D281 HydrophobicContact CD-CB 3.82Å; K203-D281 HydrophobicContact CG-CB 4.3Å; K279-D281 PolarHBondContact O-N 3.48Å; D281-D410 WeakPolarHBondContact CB-OD2 3.46Å; D281-D410 PolarHBondContact N-OD2 3.41Å
282	F	97.3	Very high	94.4	Very high	17 Å²	17	73 Å²	73	8%	0.075	38%	0.379	C	S	.	.			trans	-156.3	108.4	178.3	-174.5	-121.3	0	0	0	110	L199 I280 L284 Y287 K301 I304 L305 R308	L199-F282 HydrophobicContact CD1-CD2 4.04Å; L199-F282 HydrophobicContact CD1-CE2 4.17Å; L199-F282 HydrophobicContact CD2-CB 4.11Å; L199-F282 HydrophobicContact CD2-CD2 4.23Å; L199-F282 HydrophobicContact CD2-CG 4.35Å; L199-F282 HydrophobicContact CG-CD2 3.75Å; L199-F282 HydrophobicContact CG-CE2 4.34Å; L199-F282 HydrophobicContact CG-CG 4.35Å; I280-F282 HydrophobicContact CG2-CB 4.3Å; I280-F282 PolarHBondContact O-N 3.18Å; F282-L284 HydrophobicContact CD1-CD2 3.96Å; F282-L284 HydrophobicContact CE1-CD2 3.56Å; F282-Y287 AromaticContact CE2-CD2 3.9Å; F282-Y287 HydrophobicContact CE2-CD2 3.9Å; F282-Y287 AromaticContact CE2-CG 3.88Å; F282-Y287 HydrophobicContact CE2-CG 3.88Å; F282-Y287 AromaticContact CZ-CD1 3.77Å; F282-Y287 HydrophobicContact CZ-CD1 3.77Å; F282-Y287 AromaticContact CZ-CD2 3.86Å; F282-Y287 HydrophobicContact CZ-CD2 3.86Å; F282-Y287 HydrophobicContact CZ-CE1 4.32Å; F282-Y287 HydrophobicContact CZ-CE2 4.42Å; F282-Y287 AromaticContact CZ-CG 3.5Å; F282-Y287 HydrophobicContact CZ-CG 3.5Å; F282-Y287 VanDerWaalsContact CZ-CG 3.5Å; F282-K301 HydrophobicContact CB-CD 4.18Å; F282-K301 HydrophobicContact CB-CG 4.12Å; F282-K301 HydrophobicContact CD1-CG 4.04Å; F282-I304 HydrophobicContact CE1-CB 4.34Å; F282-I304 HydrophobicContact CE1-CG2 3.65Å; F282-I304 HydrophobicContact CZ-CG2 4.17Å; F282-L305 HydrophobicContact CB-CD1 4.37Å; F282-L305 HydrophobicContact CB-CD2 4.45Å; F282-L305 HydrophobicContact CD1-CD1 4.44Å; F282-L305 HydrophobicContact CD1-CD2 3.67Å; F282-L305 HydrophobicContact CD1-CG 4.01Å; F282-L305 HydrophobicContact CD2-CD2 4.47Å; F282-L305 HydrophobicContact CE1-CD2 3.96Å; F282-L305 HydrophobicContact CE1-CG 4.5Å; F282-L305 HydrophobicContact CG-CD2 3.95Å; F282-L305 HydrophobicContact CZ-CD2 4.49Å; F282-R308 VanDerWaalsContact CE2-NH1 3.34Å; F282-R308 VanDerWaalsContact CZ-NH1 3.25Å
283	D	96.3	Very high	94.5	Very high	84 Å²	84	70.5 Å²	70.5	45%	0.449	37%	0.368	S	S	.	.			trans	-88.9	112	176.6	-172.5	-30.7	0	0	0	110.1	S285 E286 Y287	D283-S285 VanDerWaalsContact C-N 3.28Å; D283-S285 PolarHBondContact O-N 3.37Å; D283-S285 WeakPolarHBondContact OD1-CA 3.36Å; D283-S285 VanDerWaalsContact OD1-CB 3.28Å; D283-S285 WeakPolarHBondContact OD1-CB 3.43Å; D283-S285 PolarHBondContact OD1-N 3.06Å; D283-E286 HydrophobicContact CB-CB 3.88Å; D283-E286 PolarHBondContact O-N 3.3Å; D283-E286 PolarHBondContact OD1-N 3.09Å; D283-E286 VanDerWaalsContact OD1-N 3.12Å; D283-Y287 WeakPolarHBondContact O-CB 3.39Å; D283-Y287 PolarHBondContact O-N 3.5Å
284	L	95.3	Very high	94.5	Very high	42 Å²	42	73.4 Å²	73.4	22%	0.22	41%	0.405	C	S	.	.	H	α-helix	trans	-62.8	-34	178.1	-68	179.9	0	0	0	113.1	F282 C288 L296 I304	F282-L284 HydrophobicContact CD1-CD2 3.96Å; F282-L284 HydrophobicContact CE1-CD2 3.56Å; L284-C288 WeakPolarHBondContact O-CB 3.19Å; L284-C288 PolarHBondContact O-N 2.96Å; L284-C288 PolarHBondContact O-SG 3.18Å; L284-L296 HydrophobicContact CD2-CD1 3.92Å; L284-I304 HydrophobicContact CD2-CB 4.12Å; L284-I304 HydrophobicContact CD2-CG1 3.86Å; L284-I304 HydrophobicContact CD2-CG2 4.37Å
285	S	94.9	Very high	94.6	Very high	93 Å²	93	75.7 Å²	75.7	65%	0.65	42%	0.415	S	S	*	.	H	α-helix	trans	-72.4	-41.4	-178.8	-49.4	0	0	0	0	110.6	D283 K289	D283-S285 VanDerWaalsContact C-N 3.28Å; D283-S285 PolarHBondContact O-N 3.37Å; D283-S285 WeakPolarHBondContact OD1-CA 3.36Å; D283-S285 VanDerWaalsContact OD1-CB 3.28Å; D283-S285 WeakPolarHBondContact OD1-CB 3.43Å; D283-S285 PolarHBondContact OD1-N 3.06Å; S285-K289 WeakPolarHBondContact O-CB 3.28Å; S285-K289 PolarHBondContact O-N 2.77Å; S285-K289 VanDerWaalsContact O-N 3.09Å
286	E	95.2	Very high	94.7	Very high	62 Å²	62	72 Å²	72	29%	0.29	40%	0.401	S	S	.	.	H	α-helix	trans	-61.9	-49.5	172.5	-175.1	172.7	79.8	0	0	110.6	K201 D283 C288 K289 D290	K201-E286 HydrophobicContact CD-CG 4.42Å; K201-E286 WeakPolarHBondContact CG-OE1 3.29Å; D283-E286 HydrophobicContact CB-CB 3.88Å; D283-E286 PolarHBondContact O-N 3.3Å; D283-E286 PolarHBondContact OD1-N 3.09Å; D283-E286 VanDerWaalsContact OD1-N 3.12Å; E286-C288 PolarHBondContact O-N 2.87Å; E286-K289 WeakPolarHBondContact O-CB 3.31Å; E286-K289 PolarHBondContact O-N 3.47Å; E286-K289 VanDerWaalsContact O-N 3.11Å; E286-D290 PolarHBondContact O-N 3.11Å
287	Y	95.3	Very high	94.8	Very high	63 Å²	63	74.5 Å²	74.5	25%	0.247	41%	0.414	C	S	.	.	H	α-helix	trans	-57.9	-46.5	178.2	-177.8	-110.5	0	0	0	112.6	F282 D283 K289 D290 V291 L296	F282-Y287 AromaticContact CE2-CD2 3.9Å; F282-Y287 HydrophobicContact CE2-CD2 3.9Å; F282-Y287 AromaticContact CE2-CG 3.88Å; F282-Y287 HydrophobicContact CE2-CG 3.88Å; F282-Y287 AromaticContact CZ-CD1 3.77Å; F282-Y287 HydrophobicContact CZ-CD1 3.77Å; F282-Y287 AromaticContact CZ-CD2 3.86Å; F282-Y287 HydrophobicContact CZ-CD2 3.86Å; F282-Y287 HydrophobicContact CZ-CE1 4.32Å; F282-Y287 HydrophobicContact CZ-CE2 4.42Å; F282-Y287 AromaticContact CZ-CG 3.5Å; F282-Y287 HydrophobicContact CZ-CG 3.5Å; F282-Y287 VanDerWaalsContact CZ-CG 3.5Å; D283-Y287 WeakPolarHBondContact O-CB 3.39Å; D283-Y287 PolarHBondContact O-N 3.5Å; Y287-K289 VanDerWaalsContact C-N 3.31Å; Y287-K289 PolarHBondContact O-N 3.32Å; Y287-D290 PolarHBondContact O-N 3.4Å; Y287-V291 HydrophobicContact CD2-CG1 4.45Å; Y287-V291 HydrophobicContact CE2-CG1 4.04Å; Y287-V291 WeakPolarHBondContact O-CG2 3.28Å; Y287-V291 PolarHBondContact O-N 3.44Å; Y287-V291 VanDerWaalsContact O-N 3.16Å; Y287-L296 HydrophobicContact CD1-CD1 3.91Å; Y287-L296 HydrophobicContact CD1-CD2 3.96Å; Y287-L296 HydrophobicContact CE1-CD1 4.35Å; Y287-L296 HydrophobicContact CE1-CD2 3.91Å
288	C	94.7	Very high	94.9	Very high	26 Å²	26	76.1 Å²	76.1	18%	0.176	42%	0.421	C	S	.	.	H	α-helix	trans	-56.7	-43.9	174.7	-80.2	0	0	0	0	112.7	L284 E286 G292 V293 L296	L284-C288 WeakPolarHBondContact O-CB 3.19Å; L284-C288 PolarHBondContact O-N 2.96Å; L284-C288 PolarHBondContact O-SG 3.18Å; E286-C288 PolarHBondContact O-N 2.87Å; C288-G292 PolarHBondContact O-N 2.96Å; C288-V293 HydrophobicContact CB-CG2 4.41Å; C288-V293 PolarHBondContact O-N 3.45Å; C288-L296 WeakPolarHBondContact SG-CG 3.34Å
289	K	95.4	Very high	94.9	Very high	171 Å²	171	76.5 Å²	76.5	74%	0.743	43%	0.427	S	S	*	.	H	α-helix	trans	-66.1	-44.3	-178.7	-178.5	-175.8	173.8	-171.7	0	111.2	S285 E286 Y287 G292	S285-K289 WeakPolarHBondContact O-CB 3.28Å; S285-K289 PolarHBondContact O-N 2.77Å; S285-K289 VanDerWaalsContact O-N 3.09Å; E286-K289 WeakPolarHBondContact O-CB 3.31Å; E286-K289 PolarHBondContact O-N 3.47Å; E286-K289 VanDerWaalsContact O-N 3.11Å; Y287-K289 VanDerWaalsContact C-N 3.31Å; Y287-K289 PolarHBondContact O-N 3.32Å; K289-G292 PolarHBondContact O-N 2.88Å
290	D	91.9	Very high	95.1	Very high	59 Å²	59	70.1 Å²	70.1	32%	0.316	40%	0.404	S	S	.	.	H	α-helix	trans	-64.8	-40.7	-178.1	-72	-20.4	0	0	0	112.3	K201 E286 Y287 G292 D441	K201-D290 WeakPolarHBondContact CE-OD2 3.5Å; K201-D290 IonicContact NZ-OD1 2.9Å; K201-D290 PolarHBondContact NZ-OD1 3.02Å; K201-D290 IonicContact NZ-OD2 3.08Å; K201-D290 PolarHBondContact NZ-OD2 2.76Å; E286-D290 PolarHBondContact O-N 3.11Å; Y287-D290 PolarHBondContact O-N 3.4Å; D290-G292 VanDerWaalsContact C-N 3.29Å; D290-D441 HydrophobicContact CB-CB 4.35Å
291	V	89.9	Confident	95.1	Very high	75 Å²	75	71.7 Å²	71.7	46%	0.455	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	0.4	176.9	-51	0	0	0	0	113.2	Y287 V293	Y287-V291 HydrophobicContact CD2-CG1 4.45Å; Y287-V291 HydrophobicContact CE2-CG1 4.04Å; Y287-V291 WeakPolarHBondContact O-CG2 3.28Å; Y287-V291 PolarHBondContact O-N 3.44Å; Y287-V291 VanDerWaalsContact O-N 3.16Å; V291-V293 HydrophobicContact CG2-CB 4.29Å; V291-V293 HydrophobicContact CG2-CG1 4.05Å; V291-V293 HydrophobicContact CG2-CG2 3.51Å; V291-V293 PolarHBondContact O-N 2.64Å
292	G	93.9	Very high	95.1	Very high	67 Å²	67	72.3 Å²	72.3	69%	0.691	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.6	27.9	173.9	0	0	0	0	0	115.7	C288 K289 D290	C288-G292 PolarHBondContact O-N 2.96Å; K289-G292 PolarHBondContact O-N 2.88Å; D290-G292 VanDerWaalsContact C-N 3.29Å
293	V	94.4	Very high	95.1	Very high	61 Å²	61	75.2 Å²	75.2	37%	0.37	43%	0.426	S	S	.	.			trans	-111.9	142.1	-177	-59.3	0	0	0	0	112.8	C288 V291 L296	C288-V293 HydrophobicContact CB-CG2 4.41Å; C288-V293 PolarHBondContact O-N 3.45Å; V291-V293 HydrophobicContact CG2-CB 4.29Å; V291-V293 HydrophobicContact CG2-CG1 4.05Å; V291-V293 HydrophobicContact CG2-CG2 3.51Å; V291-V293 PolarHBondContact O-N 2.64Å; V293-L296 HydrophobicContact CG2-CD2 3.68Å
294	G	92.9	Very high	95.2	Very high	89 Å²	89	71.8 Å²	71.8	92%	0.918	41%	0.407	S	S	*	.	S	Bend	trans	-79.4	-23.1	178	0	0	0	0	0	114.5
295	K	94.3	Very high	95.4	Very high	144 Å²	144	69.8 Å²	69.8	63%	0.626	40%	0.396	S	S	*	.			trans	-154.3	138.3	179.5	-179.9	167.1	-178.2	161.2	0	111	D299	K295-D299 WeakPolarHBondContact CE-OD1 3.26Å; K295-D299 IonicContact NZ-OD1 3.98Å; K295-D299 PolarHBondContact NZ-OD1 2.98Å; K295-D299 IonicContact NZ-OD2 2.83Å
296	L	96.9	Very high	95.5	Very high	29 Å²	29	65.9 Å²	65.9	15%	0.152	37%	0.368	C	S	.	.			trans	-87.8	168.2	173.5	-54.2	172.7	0	0	0	111.7	L284 Y287 C288 V293 H298 I304	L284-L296 HydrophobicContact CD2-CD1 3.92Å; Y287-L296 HydrophobicContact CD1-CD1 3.91Å; Y287-L296 HydrophobicContact CD1-CD2 3.96Å; Y287-L296 HydrophobicContact CE1-CD1 4.35Å; Y287-L296 HydrophobicContact CE1-CD2 3.91Å; C288-L296 WeakPolarHBondContact SG-CG 3.34Å; V293-L296 HydrophobicContact CG2-CD2 3.68Å; L296-H298 PolarHBondContact O-N 3.36Å; L296-I304 HydrophobicContact CB-CD1 3.6Å; L296-I304 HydrophobicContact CD1-CD1 3.76Å; L296-I304 HydrophobicContact CD1-CG1 3.94Å; L296-I304 HydrophobicContact CG-CD1 4.26Å
297	L	97.2	Very high	95.7	Very high	119 Å²	119	65.9 Å²	65.9	62%	0.623	37%	0.368	S	S	*	.	S	Bend	trans	-63.2	-23.6	176.3	-74.9	174.1	0	0	0	113.8
298	H	97.1	Very high	95.8	Very high	37 Å²	37	65.4 Å²	65.4	17%	0.171	37%	0.366	C	S	.	.			trans	-133.6	151.2	179.7	-50.7	-81.5	0	0	0	110.9	L296 Q303 I304 H307	L296-H298 PolarHBondContact O-N 3.36Å; H298-Q303 HydrophobicContact CB-CB 3.61Å; H298-I304 HydrophobicContact CB-CD1 3.71Å; H298-I304 HydrophobicContact CB-CG1 4.06Å; H298-I304 WeakPolarHBondContact O-CD1 3.32Å; H298-H307 AromaticContact CD2-CD2 3.83Å; H298-H307 AromaticContact CD2-CG 3.79Å; H298-H307 AromaticContact CE1-CD2 3.39Å; H298-H307 PolarHBondContact CE1-CD2 3.32Å; H298-H307 AromaticContact CE1-CE1 3.49Å; H298-H307 PolarHBondContact CE1-CE1 3.4Å; H298-H307 VanDerWaalsContact CE1-CE1 3.49Å; H298-H307 AromaticContact CE1-CG 3.67Å; H298-H307 AromaticContact CE1-ND1 3.72Å; H298-H307 AromaticContact CE1-NE2 3.3Å; H298-H307 PolarHBondContact CE1-NE2 3.11Å; H298-H307 VanDerWaalsContact CE1-NE2 3.3Å; H298-H307 AromaticContact ND1-CD2 3.88Å; H298-H307 AromaticContact ND1-NE2 3.95Å; H298-H307 AromaticContact NE2-CD2 3.36Å; H298-H307 PolarHBondContact NE2-CD2 2.64Å; H298-H307 AromaticContact NE2-CE1 3.66Å; H298-H307 AromaticContact NE2-CG 3.18Å; H298-H307 AromaticContact NE2-ND1 3.39Å; H298-H307 PolarHBondContact NE2-ND1 2.95Å; H298-H307 AromaticContact NE2-NE2 3.68Å
299	D	94.4	Very high	96	Very high	126 Å²	126	64.4 Å²	64.4	67%	0.674	36%	0.358	S	S	*	.	S	Bend	trans	-96.6	-3.6	-171.1	-56.3	-55.1	0	0	0	113.6	K295	K295-D299 WeakPolarHBondContact CE-OD1 3.26Å; K295-D299 IonicContact NZ-OD1 3.98Å; K295-D299 PolarHBondContact NZ-OD1 2.98Å; K295-D299 IonicContact NZ-OD2 2.83Å
300	S	96.5	Very high	96.2	Very high	40 Å²	40	56.4 Å²	56.4	28%	0.28	32%	0.323	S	S	.	.	S	Bend	trans	-124.6	152.5	-178.3	106.1	0	0	0	0	113	E302 Q303 I304	S300-E302 VanDerWaalsContact C-N 3.35Å; S300-E302 WeakPolarHBondContact CB-OE2 3.29Å; S300-E302 PolarHBondContact O-N 3.26Å; S300-E302 PolarHBondContact OG-N 3.1Å; S300-E302 PolarHBondContact OG-OE2 3.41Å; S300-Q303 PolarHBondContact O-N 3.19Å; S300-Q303 WeakPolarHBondContact OG-CG 3.48Å; S300-Q303 PolarHBondContact OG-N 3.14Å; S300-I304 WeakPolarHBondContact O-CG1 3.48Å; S300-I304 PolarHBondContact O-N 3.28Å
301	K	96.8	Very high	96.5	Very high	43 Å²	43	56.3 Å²	56.3	19%	0.187	32%	0.319	C	S	.	.	H	α-helix	trans	-55.1	-51.5	178.5	-176.2	-174.7	72	171.5	0	110.7	Y277 E278 I280 F282 Q303 I304 L305	Y277-K301 WeakPolarHBondContact O-CE 3.27Å; Y277-K301 PolarHBondContact O-NZ 3.08Å; E278-K301 PolarHBondContact O-NZ 2.95Å; I280-K301 PolarHBondContact O-NZ 2.67Å; F282-K301 HydrophobicContact CB-CD 4.18Å; F282-K301 HydrophobicContact CB-CG 4.12Å; F282-K301 HydrophobicContact CD1-CG 4.04Å; K301-Q303 VanDerWaalsContact C-N 3.34Å; K301-Q303 PolarHBondContact O-N 2.96Å; K301-I304 PolarHBondContact O-N 2.95Å; K301-L305 HydrophobicContact CG-CD1 4.02Å; K301-L305 HydrophobicContact CG-CG 4.48Å; K301-L305 VanDerWaalsContact O-CG 3.29Å; K301-L305 WeakPolarHBondContact O-CG 3.38Å; K301-L305 PolarHBondContact O-N 3.32Å
302	E	96.9	Very high	96.9	Very high	72 Å²	72	52.9 Å²	52.9	34%	0.336	30%	0.299	S	S	.	.	H	α-helix	trans	-61.2	-44.1	-177.7	-55	74.4	-162.5	0	0	110.9	S300 L305 M306	S300-E302 VanDerWaalsContact C-N 3.35Å; S300-E302 WeakPolarHBondContact CB-OE2 3.29Å; S300-E302 PolarHBondContact O-N 3.26Å; S300-E302 PolarHBondContact OG-N 3.1Å; S300-E302 PolarHBondContact OG-OE2 3.41Å; E302-L305 PolarHBondContact O-N 2.96Å; E302-M306 HydrophobicContact CB-CE 4.22Å; E302-M306 VanDerWaalsContact O-CB 3.3Å; E302-M306 WeakPolarHBondContact O-CB 3.33Å; E302-M306 WeakPolarHBondContact O-CE 3.19Å; E302-M306 VanDerWaalsContact O-CG 3.25Å; E302-M306 WeakPolarHBondContact O-CG 3.28Å; E302-M306 PolarHBondContact O-N 3.49Å
303	Q	97.3	Very high	97.1	Very high	78 Å²	78	51.2 Å²	51.2	36%	0.364	28%	0.276	S	S	.	.	H	α-helix	trans	-64.8	-46.2	178.6	-68.9	-66	-43.9	0	0	111.4	H298 S300 K301 L305 M306 H307	H298-Q303 HydrophobicContact CB-CB 3.61Å; S300-Q303 PolarHBondContact O-N 3.19Å; S300-Q303 WeakPolarHBondContact OG-CG 3.48Å; S300-Q303 PolarHBondContact OG-N 3.14Å; K301-Q303 VanDerWaalsContact C-N 3.34Å; K301-Q303 PolarHBondContact O-N 2.96Å; Q303-L305 PolarHBondContact O-N 3.05Å; Q303-M306 PolarHBondContact O-N 3.24Å; Q303-H307 VanDerWaalsContact O-CB 3.3Å; Q303-H307 WeakPolarHBondContact O-CB 3.19Å; Q303-H307 PolarHBondContact O-CD2 3.37Å; Q303-H307 VanDerWaalsContact O-CD2 3.24Å; Q303-H307 PolarHBondContact O-N 2.85Å
304	I	97.9	Very high	97.3	Very high	11 Å²	11	49 Å²	49	6%	0.056	26%	0.262	C	S	.	.	H	α-helix	trans	-59.8	-47.6	176.9	-67.8	-68	0	0	0	111.1	F282 L284 L296 H298 S300 K301 H307 R308	F282-I304 HydrophobicContact CE1-CB 4.34Å; F282-I304 HydrophobicContact CE1-CG2 3.65Å; F282-I304 HydrophobicContact CZ-CG2 4.17Å; L284-I304 HydrophobicContact CD2-CB 4.12Å; L284-I304 HydrophobicContact CD2-CG1 3.86Å; L284-I304 HydrophobicContact CD2-CG2 4.37Å; L296-I304 HydrophobicContact CB-CD1 3.6Å; L296-I304 HydrophobicContact CD1-CD1 3.76Å; L296-I304 HydrophobicContact CD1-CG1 3.94Å; L296-I304 HydrophobicContact CG-CD1 4.26Å; H298-I304 HydrophobicContact CB-CD1 3.71Å; H298-I304 HydrophobicContact CB-CG1 4.06Å; H298-I304 WeakPolarHBondContact O-CD1 3.32Å; S300-I304 WeakPolarHBondContact O-CG1 3.48Å; S300-I304 PolarHBondContact O-N 3.28Å; K301-I304 PolarHBondContact O-N 2.95Å; I304-H307 CarbonylContact O-C 3.09Å; I304-H307 PolarHBondContact O-N 3.35Å; I304-R308 HydrophobicContact CG2-CG 4.48Å; I304-R308 WeakPolarHBondContact O-CB 3.39Å; I304-R308 VanDerWaalsContact O-CG 3.28Å; I304-R308 WeakPolarHBondContact O-CG 3.29Å; I304-R308 PolarHBondContact O-N 3.09Å
305	L	98.4	Very high	97.6	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-65.6	-43.5	179.8	-64.5	-179.3	0	0	0	111.9	L199 Y277 I280 F282 K301 E302 Q303 H307 R308 W309	L199-L305 HydrophobicContact CD1-CD2 3.9Å; L199-L305 HydrophobicContact CD2-CD2 3.93Å; L199-L305 HydrophobicContact CG-CD2 4.43Å; Y277-L305 HydrophobicContact CD1-CB 3.66Å; Y277-L305 HydrophobicContact CD1-CD1 4.21Å; Y277-L305 HydrophobicContact CE1-CB 3.88Å; I280-L305 HydrophobicContact CB-CD1 4.03Å; I280-L305 HydrophobicContact CG1-CD1 4.49Å; I280-L305 HydrophobicContact CG2-CD1 3.73Å; F282-L305 HydrophobicContact CB-CD1 4.37Å; F282-L305 HydrophobicContact CB-CD2 4.45Å; F282-L305 HydrophobicContact CD1-CD1 4.44Å; F282-L305 HydrophobicContact CD1-CD2 3.67Å; F282-L305 HydrophobicContact CD1-CG 4.01Å; F282-L305 HydrophobicContact CD2-CD2 4.47Å; F282-L305 HydrophobicContact CE1-CD2 3.96Å; F282-L305 HydrophobicContact CE1-CG 4.5Å; F282-L305 HydrophobicContact CG-CD2 3.95Å; F282-L305 HydrophobicContact CZ-CD2 4.49Å; K301-L305 HydrophobicContact CG-CD1 4.02Å; K301-L305 HydrophobicContact CG-CG 4.48Å; K301-L305 VanDerWaalsContact O-CG 3.29Å; K301-L305 WeakPolarHBondContact O-CG 3.38Å; K301-L305 PolarHBondContact O-N 3.32Å; E302-L305 PolarHBondContact O-N 2.96Å; Q303-L305 PolarHBondContact O-N 3.05Å; L305-H307 VanDerWaalsContact C-N 3.34Å; L305-H307 PolarHBondContact O-N 3.42Å; L305-R308 CarbonylContact O-C 3.5Å; L305-R308 PolarHBondContact O-N 3.21Å; L305-R308 VanDerWaalsContact O-N 3.08Å; L305-W309 HydrophobicContact CB-CD2 4.39Å; L305-W309 HydrophobicContact CB-CE3 4.44Å; L305-W309 HydrophobicContact CD1-CH2 4.18Å; L305-W309 HydrophobicContact CD2-CH2 4.22Å; L305-W309 HydrophobicContact CD2-CZ2 3.76Å; L305-W309 VanDerWaalsContact O-CB 3.28Å; L305-W309 WeakPolarHBondContact O-CB 3.48Å; L305-W309 PolarHBondContact O-N 2.77Å
306	M	98.4	Very high	97.8	Very high	11 Å²	11	44.8 Å²	44.8	5%	0.054	23%	0.23	C	C	.	.	H	α-helix	trans	-62.3	-41.6	176.3	-75.3	-173.3	-67.4	0	0	112.1	L269 Y277 E302 Q303 R308 W309 R310 Y311	L269-M306 HydrophobicContact CD1-SD 4.23Å; L269-M306 HydrophobicContact CD2-SD 3.69Å; Y277-M306 HydrophobicContact CD1-CG 4.37Å; Y277-M306 HydrophobicContact CD2-CG 4.21Å; Y277-M306 HydrophobicContact CE1-CG 3.9Å; Y277-M306 HydrophobicContact CE2-CG 3.74Å; Y277-M306 HydrophobicContact CE2-SD 4.48Å; E302-M306 HydrophobicContact CB-CE 4.22Å; E302-M306 VanDerWaalsContact O-CB 3.3Å; E302-M306 WeakPolarHBondContact O-CB 3.33Å; E302-M306 WeakPolarHBondContact O-CE 3.19Å; E302-M306 VanDerWaalsContact O-CG 3.25Å; E302-M306 WeakPolarHBondContact O-CG 3.28Å; E302-M306 PolarHBondContact O-N 3.49Å; Q303-M306 PolarHBondContact O-N 3.24Å; M306-R308 PolarHBondContact O-N 3.37Å; M306-W309 PolarHBondContact O-N 2.7Å; M306-R310 HydrophobicContact CB-CG 3.91Å; M306-R310 HydrophobicContact CG-CG 4.16Å; M306-R310 VanDerWaalsContact O-CG 3.3Å; M306-R310 WeakPolarHBondContact O-CG 3.45Å; M306-R310 PolarHBondContact O-N 2.88Å; M306-Y311 HydrophobicContact CB-CD2 3.97Å; M306-Y311 HydrophobicContact CB-CE2 3.84Å; M306-Y311 PolarHBondContact O-N 3.48Å; M306-Y311 HydrophobicContact SD-CE2 4.33Å
307	H	98.5	Very high	97.9	Very high	62 Å²	62	47.6 Å²	47.6	29%	0.287	24%	0.242	S	C	.	.	H	α-helix	trans	-75.4	-7.3	175.4	-80.9	-90.8	0	0	0	114.3	R211 H298 Q303 I304 L305 Y311	R211-H307 PolarHBondContact NH2-O 2.81Å; H298-H307 AromaticContact CD2-CD2 3.83Å; H298-H307 AromaticContact CD2-CG 3.79Å; H298-H307 AromaticContact CE1-CD2 3.39Å; H298-H307 PolarHBondContact CE1-CD2 3.32Å; H298-H307 AromaticContact CE1-CE1 3.49Å; H298-H307 PolarHBondContact CE1-CE1 3.4Å; H298-H307 VanDerWaalsContact CE1-CE1 3.49Å; H298-H307 AromaticContact CE1-CG 3.67Å; H298-H307 AromaticContact CE1-ND1 3.72Å; H298-H307 AromaticContact CE1-NE2 3.3Å; H298-H307 PolarHBondContact CE1-NE2 3.11Å; H298-H307 VanDerWaalsContact CE1-NE2 3.3Å; H298-H307 AromaticContact ND1-CD2 3.88Å; H298-H307 AromaticContact ND1-NE2 3.95Å; H298-H307 AromaticContact NE2-CD2 3.36Å; H298-H307 PolarHBondContact NE2-CD2 2.64Å; H298-H307 AromaticContact NE2-CE1 3.66Å; H298-H307 AromaticContact NE2-CG 3.18Å; H298-H307 AromaticContact NE2-ND1 3.39Å; H298-H307 PolarHBondContact NE2-ND1 2.95Å; H298-H307 AromaticContact NE2-NE2 3.68Å; Q303-H307 VanDerWaalsContact O-CB 3.3Å; Q303-H307 WeakPolarHBondContact O-CB 3.19Å; Q303-H307 PolarHBondContact O-CD2 3.37Å; Q303-H307 VanDerWaalsContact O-CD2 3.24Å; Q303-H307 PolarHBondContact O-N 2.85Å; I304-H307 CarbonylContact O-C 3.09Å; I304-H307 PolarHBondContact O-N 3.35Å; L305-H307 VanDerWaalsContact C-N 3.34Å; L305-H307 PolarHBondContact O-N 3.42Å; H307-Y311 AromaticContact CD2-CD2 3.93Å; H307-Y311 AromaticContact NE2-CD2 3.93Å
308	R	98.5	Very high	97.9	Very high	54 Å²	54	43.6 Å²	43.6	20%	0.204	23%	0.229	C	C	.	.	H	α-helix	trans	-97.9	-23.6	167.5	-76.6	175	64.3	-160.9	-0.1	113.6	R211 F282 I304 L305 M306 G415	R211-R308 PolarHBondContact NE-O 3.4Å; R211-R308 PolarHBondContact NH1-O 3.16Å; R211-R308 PolarHBondContact NH2-O 2.86Å; R211-R308 VanDerWaalsContact NH2-O 3.1Å; F282-R308 VanDerWaalsContact CE2-NH1 3.34Å; F282-R308 VanDerWaalsContact CZ-NH1 3.25Å; I304-R308 HydrophobicContact CG2-CG 4.48Å; I304-R308 WeakPolarHBondContact O-CB 3.39Å; I304-R308 VanDerWaalsContact O-CG 3.28Å; I304-R308 WeakPolarHBondContact O-CG 3.29Å; I304-R308 PolarHBondContact O-N 3.09Å; L305-R308 CarbonylContact O-C 3.5Å; L305-R308 PolarHBondContact O-N 3.21Å; L305-R308 VanDerWaalsContact O-N 3.08Å; M306-R308 PolarHBondContact O-N 3.37Å; R308-G415 WeakPolarHBondContact O-CA 3.45Å
309	W	98.6	Very high	98	Very high	4 Å²	4	44.2 Å²	44.2	2%	0.015	23%	0.233	C	C	.	.	H	α-helix	trans	-114.2	-41.4	-170.2	-62.4	-10.7	0	0	0	113.4	L199 Y277 I280 L305 M306 T412 R413	L199-W309 HydrophobicContact CD1-CZ2 3.83Å; L199-W309 HydrophobicContact CD2-CH2 3.89Å; L199-W309 HydrophobicContact CD2-CZ2 3.63Å; L199-W309 HydrophobicContact CG-CZ2 4.31Å; Y277-W309 HydrophobicContact CD1-CE3 4Å; Y277-W309 AromaticContact CD1-CZ3 3.95Å; Y277-W309 HydrophobicContact CD1-CZ3 3.95Å; Y277-W309 HydrophobicContact CE1-CD2 4.2Å; Y277-W309 AromaticContact CE1-CE3 3.33Å; Y277-W309 HydrophobicContact CE1-CE3 3.33Å; Y277-W309 AromaticContact CE1-CZ3 3.76Å; Y277-W309 HydrophobicContact CE1-CZ3 3.76Å; I280-W309 HydrophobicContact CD1-CH2 4.3Å; I280-W309 HydrophobicContact CG1-CH2 4.19Å; I280-W309 HydrophobicContact CG1-CZ3 4.36Å; I280-W309 HydrophobicContact CG2-CH2 4.17Å; L305-W309 HydrophobicContact CB-CD2 4.39Å; L305-W309 HydrophobicContact CB-CE3 4.44Å; L305-W309 HydrophobicContact CD1-CH2 4.18Å; L305-W309 HydrophobicContact CD2-CH2 4.22Å; L305-W309 HydrophobicContact CD2-CZ2 3.76Å; L305-W309 VanDerWaalsContact O-CB 3.28Å; L305-W309 WeakPolarHBondContact O-CB 3.48Å; L305-W309 PolarHBondContact O-N 2.77Å; M306-W309 PolarHBondContact O-N 2.7Å; W309-T412 HydrophobicContact CH2-CG2 3.93Å; W309-T412 HydrophobicContact CZ2-CG2 4.06Å; W309-R413 HydrophobicContact CB-CB 3.68Å; W309-R413 VanDerWaalsContact CD1-O 3.23Å; W309-R413 HydrophobicContact CD2-CB 3.83Å; W309-R413 HydrophobicContact CE3-CB 4.06Å; W309-R413 HydrophobicContact CG-CB 3.64Å; W309-R413 PolarHBondContact NE1-O 3.4Å; W309-R413 VanDerWaalsContact O-CZ 3.27Å; W309-R413 PolarHBondContact O-NE 3.07Å; W309-R413 PolarHBondContact O-NH2 3.21Å
310	R	98.4	Very high	98.1	Very high	3 Å²	3	43.1 Å²	43.1	1%	0.011	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.7	-12.8	-163	79.7	152.4	-40.5	-64.4	-15.6	116.8	A267 E273 M306 V345	A267-R310 PolarHBondContact O-NH2 3.27Å; E273-R310 IonicContact OE1-NE 2.7Å; E273-R310 PolarHBondContact OE1-NE 3.08Å; E273-R310 IonicContact OE2-NE 3.37Å; M306-R310 HydrophobicContact CB-CG 3.91Å; M306-R310 HydrophobicContact CG-CG 4.16Å; M306-R310 VanDerWaalsContact O-CG 3.3Å; M306-R310 WeakPolarHBondContact O-CG 3.45Å; M306-R310 PolarHBondContact O-N 2.88Å; R310-V345 VanDerWaalsContact C-CG1 3.46Å; R310-V345 WeakPolarHBondContact O-CB 3.45Å; R310-V345 WeakPolarHBondContact O-CG2 2.96Å
311	Y	98.7	Very high	98.1	Very high	57 Å²	57	43.4 Å²	43.4	22%	0.224	23%	0.233	C	C	.	.	S	Bend	trans	-102.4	147.9	168.9	-67.2	-61.8	0	0	0	111	R211 V266 M306 H307 V345	R211-Y311 PolarHBondContact NH2-O 2.83Å; V266-Y311 HydrophobicContact CG1-CD1 4.07Å; V266-Y311 HydrophobicContact CG1-CE1 4.37Å; M306-Y311 HydrophobicContact CB-CD2 3.97Å; M306-Y311 HydrophobicContact CB-CE2 3.84Å; M306-Y311 PolarHBondContact O-N 3.48Å; M306-Y311 HydrophobicContact SD-CE2 4.33Å; H307-Y311 AromaticContact CD2-CD2 3.93Å; H307-Y311 AromaticContact NE2-CD2 3.93Å; Y311-V345 VanDerWaalsContact C-CG1 3.49Å; Y311-V345 WeakPolarHBondContact O-CG1 3.42Å
312	P	98.6	Very high	98.2	Very high	4 Å²	4	42.9 Å²	42.9	3%	0.026	24%	0.237	C	C	.	.			trans	-68.8	156.6	176.1	30.5	-35.2	0	0	0	111	I257 Y263 V266 R343 M348	I257-P312 HydrophobicContact CD1-CB 3.92Å; I257-P312 HydrophobicContact CD1-CG 4.17Å; Y263-P312 HydrophobicContact CD1-CG 4.05Å; Y263-P312 HydrophobicContact CE1-CG 3.69Å; V266-P312 HydrophobicContact CG2-CG 4.01Å; P312-R343 VanDerWaalsContact CA-O 3.26Å; P312-R343 WeakPolarHBondContact CA-O 3.41Å; P312-R343 WeakPolarHBondContact CB-O 3.31Å; P312-M348 HydrophobicContact CB-CE 4.13Å; P312-M348 HydrophobicContact CB-SD 3.91Å; P312-M348 HydrophobicContact CG-CE 4.49Å; P312-M348 HydrophobicContact CG-SD 4.26Å
313	S	98.9	Very high	98.2	Very high	32 Å²	32	42.7 Å²	42.7	22%	0.224	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	150.2	174.2	61.2	0	0	0	0	110.5	R211 I342 R343	R211-S313 PolarHBondContact NH1-OG 3.1Å; S313-I342 CarbonylContact O-C 3.53Å; S313-I342 WeakPolarHBondContact O-CA 3.48Å; S313-R343 PolarHBondContact N-O 3.22Å; S313-R343 PolarHBondContact O-N 3.44Å
314	L	98.8	Very high	98.1	Very high	14 Å²	14	44.3 Å²	44.3	7%	0.073	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	131.5	174.6	-172.4	155.7	0	0	0	109.6	L250 V251 I257 I259 L316 F340 S341 I342	L250-L314 HydrophobicContact CB-CD1 3.81Å; L250-L314 HydrophobicContact CB-CD2 4.11Å; V251-L314 HydrophobicContact CB-CB 4.38Å; V251-L314 HydrophobicContact CB-CD2 4.11Å; V251-L314 HydrophobicContact CG1-CD2 3.92Å; I257-L314 HydrophobicContact CD1-CB 4.08Å; I257-L314 HydrophobicContact CG1-CB 3.91Å; I257-L314 HydrophobicContact CG2-CD1 4.08Å; I259-L314 HydrophobicContact CD1-CD1 4.15Å; L314-L316 HydrophobicContact CD2-CD2 3.76Å; L314-L316 HydrophobicContact CD2-CG 4.34Å; L314-F340 HydrophobicContact CD1-CD2 3.91Å; L314-F340 HydrophobicContact CD1-CE2 3.99Å; L314-F340 HydrophobicContact CD2-CB 4.5Å; L314-F340 HydrophobicContact CD2-CD2 4.19Å; L314-F340 HydrophobicContact CG-CD2 3.97Å; L314-S341 WeakPolarHBondContact CA-O 3.24Å; L314-I342 HydrophobicContact CB-CG1 4.47Å; L314-I342 HydrophobicContact CD1-CD1 4.22Å; L314-I342 HydrophobicContact CD1-CG1 3.96Å; L314-I342 HydrophobicContact CG-CG1 4.18Å
315	S	98.8	Very high	98	Very high	62 Å²	62	51 Å²	51	43%	0.434	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	134.3	175.7	-60.4	0	0	0	0	110.3	F340 S341	S315-F340 VanDerWaalsContact O-CA 3.22Å; S315-F340 WeakPolarHBondContact O-CA 3.32Å; S315-F340 VanDerWaalsContact O-CB 3.24Å; S315-F340 WeakPolarHBondContact O-CB 2.81Å; S315-S341 PolarHBondContact N-O 3.28Å; S315-S341 VanDerWaalsContact N-O 3.09Å; S315-S341 PolarHBondContact O-N 3.2Å
316	L	98.8	Very high	97.7	Very high	82 Å²	82	56 Å²	56	43%	0.429	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	126.2	170.9	-55	-179.8	0	0	0	108.5	M247 L250 L314 F340	M247-L316 HydrophobicContact CB-CD1 4.44Å; M247-L316 HydrophobicContact CB-CD2 4.44Å; M247-L316 HydrophobicContact CE-CB 4.21Å; M247-L316 HydrophobicContact CE-CD2 3.98Å; M247-L316 HydrophobicContact CE-CG 4.49Å; L250-L316 HydrophobicContact CD1-CD2 3.95Å; L314-L316 HydrophobicContact CD2-CD2 3.76Å; L314-L316 HydrophobicContact CD2-CG 4.34Å; L316-F340 HydrophobicContact CD2-CB 3.75Å; L316-F340 HydrophobicContact CD2-CG 4.45Å
317	H	97.4	Very high	97.6	Very high	89 Å²	89	58.8 Å²	58.8	41%	0.412	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	-33.1	-170.5	-57	-50.4	0	0	0	113.2	Y215 K339 F340 S341	Y215-H317 AromaticContact CE2-CD2 3.42Å; Y215-H317 VanDerWaalsContact CE2-CD2 3.42Å; Y215-H317 WeakPolarHBondContact CE2-CD2 3.23Å; Y215-H317 AromaticContact CE2-NE2 3.54Å; Y215-H317 AromaticContact CZ-CD2 3.36Å; Y215-H317 AromaticContact CZ-NE2 4Å; Y215-H317 PolarHBondContact OH-CD2 2.59Å; H317-K339 HydrophobicContact CB-CB 4.08Å; H317-K339 PolarHBondContact N-O 3.49Å; H317-F340 VanDerWaalsContact CD2-CA 3.44Å; H317-F340 WeakPolarHBondContact CD2-CA 3.43Å; H317-S341 PolarHBondContact CE1-OG 3.2Å; H317-S341 WeakPolarHBondContact NE2-CB 3.01Å; H317-S341 PolarHBondContact NE2-N 2.81Å; H317-S341 PolarHBondContact NE2-OG 3.22Å
318	G	97.5	Very high	97.5	Very high	34 Å²	34	60.7 Å²	60.7	35%	0.351	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	155.5	-171	179.9	0	0	0	0	0	113.5	K339	G318-K339 PolarHBondContact O-N 3.46Å
319	I	98.7	Very high	97.4	Very high	50 Å²	50	64 Å²	64	26%	0.256	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	123.5	-178.2	-58.6	174.5	0	0	0	108.7	M240 L243 I244 M247 A322 V336 I337	M240-I319 HydrophobicContact CE-CD1 3.94Å; M240-I319 HydrophobicContact SD-CD1 4.22Å; M240-I319 HydrophobicContact SD-CG2 4.1Å; L243-I319 HydrophobicContact CD2-CB 4.45Å; L243-I319 HydrophobicContact CD2-CD1 4.06Å; L243-I319 HydrophobicContact CD2-CG1 4.03Å; L243-I319 HydrophobicContact CD2-CG2 3.64Å; I244-I319 HydrophobicContact CD1-CD1 3.75Å; M247-I319 HydrophobicContact SD-CD1 4.33Å; M247-I319 HydrophobicContact SD-CG1 4.05Å; I319-A322 HydrophobicContact CG2-CB 4.04Å; I319-V336 HydrophobicContact CG2-CB 3.89Å; I319-V336 HydrophobicContact CG2-CG1 4.21Å; I319-I337 WeakPolarHBondContact CA-O 3.4Å
320	E	97.5	Very high	97.4	Very high	103 Å²	103	68.2 Å²	68.2	48%	0.481	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	148.1	170.8	168	-175	169	0	0	111	A322 V336 I337 K339	E320-A322 VanDerWaalsContact C-N 3.34Å; E320-V336 CarbonylContact O-C 3.55Å; E320-V336 VanDerWaalsContact O-CA 3.28Å; E320-V336 WeakPolarHBondContact O-CA 3.24Å; E320-I337 HydrophobicContact CB-CB 4.37Å; E320-I337 PolarHBondContact N-O 2.92Å; E320-I337 PolarHBondContact O-N 3.26Å; E320-K339 IonicContact OE2-NZ 3.32Å; E320-K339 PolarHBondContact OE2-NZ 2.9Å
321	G	96.9	Very high	97.4	Very high	46 Å²	46	69.5 Å²	69.5	47%	0.474	44%	0.436	S	S	.	.	S	Bend	trans	90	-7.6	178.4	0	0	0	0	0	114.5
322	A	97.9	Very high	97.4	Very high	32 Å²	32	66.9 Å²	66.9	26%	0.264	43%	0.426	S	S	.	.	S	Bend	trans	-93.1	179	173.4	0	0	0	0	0	112.2	M240 I319 E320 S324 P333 V336	M240-A322 HydrophobicContact SD-CB 4Å; I319-A322 HydrophobicContact CG2-CB 4.04Å; E320-A322 VanDerWaalsContact C-N 3.34Å; A322-S324 PolarHBondContact O-N 3.32Å; A322-P333 HydrophobicContact CB-CG 4.12Å; A322-V336 HydrophobicContact CB-CG1 4.13Å
323	F	97.7	Very high	97.4	Very high	69 Å²	69	67.1 Å²	67.1	30%	0.303	43%	0.428	S	S	.	.			trans	-80.5	113.8	172.3	174.3	-110.8	0	0	0	110.5	E325 G327 K329 V331	F323-E325 HydrophobicContact CD2-CB 4.41Å; F323-E325 WeakPolarHBondContact CE1-O 3.48Å; F323-E325 HydrophobicContact CE2-CB 3.79Å; F323-E325 HydrophobicContact CZ-CB 4.33Å; F323-E325 WeakPolarHBondContact CZ-O 3.42Å; F323-G327 WeakPolarHBondContact CE1-O 3.23Å; F323-K329 HydrophobicContact CB-CB 4.31Å; F323-K329 HydrophobicContact CB-CD 4.34Å; F323-K329 HydrophobicContact CD1-CB 3.88Å; F323-K329 HydrophobicContact CD2-CB 3.54Å; F323-K329 HydrophobicContact CD2-CD 3.57Å; F323-K329 HydrophobicContact CD2-CG 4.21Å; F323-K329 HydrophobicContact CE1-CB 4.03Å; F323-K329 HydrophobicContact CE2-CB 3.69Å; F323-K329 HydrophobicContact CE2-CD 4.14Å; F323-K329 HydrophobicContact CG-CB 3.63Å; F323-K329 HydrophobicContact CG-CD 4.13Å; F323-K329 HydrophobicContact CZ-CB 3.94Å; F323-V331 HydrophobicContact CB-CG1 4.27Å
324	S	95.7	Very high	97.4	Very high	112 Å²	112	71.3 Å²	71.3	78%	0.783	44%	0.438	S	S	*	.			trans	-119.4	-5.8	-179.6	59	0	0	0	0	114.1	A322	A322-S324 PolarHBondContact O-N 3.32Å
325	E	94.4	Very high	97.4	Very high	151 Å²	151	73.7 Å²	73.7	71%	0.706	45%	0.448	S	S	*	.	S	Bend	trans	-75.8	164.5	179	-64.9	171.6	-169.7	0	0	111.7	F323	F323-E325 HydrophobicContact CD2-CB 4.41Å; F323-E325 WeakPolarHBondContact CE1-O 3.48Å; F323-E325 HydrophobicContact CE2-CB 3.79Å; F323-E325 HydrophobicContact CZ-CB 4.33Å; F323-E325 WeakPolarHBondContact CZ-O 3.42Å
326	A	92.5	Very high	97.4	Very high	105 Å²	105	70.8 Å²	70.8	87%	0.868	43%	0.428	S	S	*	.	S	Bend	trans	-64.2	145.4	176.1	0	0	0	0	0	112.3
327	G	95.9	Very high	97.4	Very high	70 Å²	70	68 Å²	68	72%	0.722	41%	0.413	S	S	*	.	S	Bend	trans	104.1	-148.7	175.9	0	0	0	0	0	113.1	F323	F323-G327 WeakPolarHBondContact CE1-O 3.23Å
328	A	97.4	Very high	97.5	Very high	102 Å²	102	63.7 Å²	63.7	84%	0.843	39%	0.393	S	S	*	.			trans	-132.9	132.5	-177.6	0	0	0	0	0	110.5
329	K	97.3	Very high	97.5	Very high	122 Å²	122	64.1 Å²	64.1	53%	0.53	39%	0.385	S	S	.	.			trans	-132.3	118.9	175.4	-168.3	178.7	179.1	-177.6	0	109.8	F323 V331	F323-K329 HydrophobicContact CB-CB 4.31Å; F323-K329 HydrophobicContact CB-CD 4.34Å; F323-K329 HydrophobicContact CD1-CB 3.88Å; F323-K329 HydrophobicContact CD2-CB 3.54Å; F323-K329 HydrophobicContact CD2-CD 3.57Å; F323-K329 HydrophobicContact CD2-CG 4.21Å; F323-K329 HydrophobicContact CE1-CB 4.03Å; F323-K329 HydrophobicContact CE2-CB 3.69Å; F323-K329 HydrophobicContact CE2-CD 4.14Å; F323-K329 HydrophobicContact CG-CB 3.63Å; F323-K329 HydrophobicContact CG-CD 4.13Å; F323-K329 HydrophobicContact CZ-CB 3.94Å; K329-V331 HydrophobicContact CB-CG1 4.24Å; K329-V331 HydrophobicContact CD-CB 4.35Å; K329-V331 HydrophobicContact CD-CG1 3.79Å; K329-V331 HydrophobicContact CG-CB 4.07Å; K329-V331 HydrophobicContact CG-CG1 3.74Å; K329-V331 PolarHBondContact O-N 3.16Å
330	T	97.8	Very high	97.5	Very high	93 Å²	93	61.7 Å²	61.7	57%	0.571	37%	0.373	S	S	*	.			trans	-82.2	60.9	-177.3	45.6	0	0	0	0	111.9	S229	S229-T330 WeakPolarHBondContact CB-O 3.32Å; S229-T330 PolarHBondContact N-O 2.89Å; S229-T330 WeakPolarHBondContact OG-CA 3.43Å; S229-T330 WeakPolarHBondContact OG-CB 3.3Å; S229-T330 PolarHBondContact OG-O 3.38Å
331	V	98.3	Very high	97.6	Very high	31 Å²	31	57.1 Å²	57.1	19%	0.188	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	141.4	-172.6	66.3	0	0	0	0	112.7	D226 L227 F323 K329	D226-V331 HydrophobicContact CB-CG2 3.69Å; L227-V331 WeakPolarHBondContact O-CA 3.48Å; F323-V331 HydrophobicContact CB-CG1 4.27Å; K329-V331 HydrophobicContact CB-CG1 4.24Å; K329-V331 HydrophobicContact CD-CB 4.35Å; K329-V331 HydrophobicContact CD-CG1 3.79Å; K329-V331 HydrophobicContact CG-CB 4.07Å; K329-V331 HydrophobicContact CG-CG1 3.74Å; K329-V331 PolarHBondContact O-N 3.16Å
332	I	98.8	Very high	97.7	Very high	2 Å²	2	54.9 Å²	54.9	1%	0.01	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	111.7	161.7	-61.8	165.9	0	0	0	106.6	L227 F232 V236 E238	L227-I332 HydrophobicContact CB-CB 4.18Å; L227-I332 PolarHBondContact N-O 3.26Å; L227-I332 PolarHBondContact O-N 3.03Å; F232-I332 HydrophobicContact CB-CD1 4.19Å; V236-I332 HydrophobicContact CG2-CD1 4.08Å; E238-I332 HydrophobicContact CB-CG2 4.03Å; E238-I332 HydrophobicContact CG-CD1 4.08Å; E238-I332 HydrophobicContact CG-CG1 4.26Å; E238-I332 HydrophobicContact CG-CG2 3.82Å
333	P	98.7	Very high	97.7	Very high	9 Å²	9	56.4 Å²	56.4	6%	0.058	33%	0.328	C	S	.	.			trans	-64.8	134	178.8	-23	35.1	0	0	0	111.7	M240 A322 K335 V336	M240-P333 HydrophobicContact CG-CG 3.93Å; A322-P333 HydrophobicContact CB-CG 4.12Å; P333-K335 VanDerWaalsContact C-N 3.32Å; P333-K335 PolarHBondContact O-N 3.4Å; P333-V336 HydrophobicContact CB-CG1 3.64Å; P333-V336 HydrophobicContact CG-CG1 4.24Å
334	R	98.6	Very high	97.7	Very high	119 Å²	119	53.1 Å²	53.1	45%	0.449	31%	0.314	S	S	.	.	S	Bend	trans	-67.6	-32.9	-178.8	76.9	-177.1	178.8	141.2	3.4	113.9	E221 C222 G223 D224 K225 D226	E221-R334 WeakPolarHBondContact CA-O 3.44Å; C222-R334 PolarHBondContact N-O 2.83Å; G223-R334 PolarHBondContact N-O 3.12Å; D224-R334 WeakPolarHBondContact O-CD 3.13Å; D224-R334 PolarHBondContact O-NH1 2.92Å; K225-R334 WeakPolarHBondContact O-CB 3.41Å; D226-R334 PolarHBondContact OD1-N 3.26Å
335	K	98.8	Very high	97.9	Very high	65 Å²	65	47.9 Å²	47.9	28%	0.283	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	133.6	-173.8	170.2	173.3	160.1	159	0	108.7	E219 V220 E221 P333	E219-K335 HydrophobicContact CG-CD 4.3Å; E219-K335 HydrophobicContact CG-CG 4.31Å; E219-K335 VanDerWaalsContact OE1-CE 3.31Å; E219-K335 WeakPolarHBondContact OE1-CE 3.14Å; E219-K335 IonicContact OE1-NZ 2.79Å; E219-K335 PolarHBondContact OE1-NZ 3.1Å; E219-K335 WeakPolarHBondContact OE2-CE 3.24Å; E219-K335 IonicContact OE2-NZ 3.51Å; E219-K335 PolarHBondContact OE2-NZ 2.9Å; V220-K335 VanDerWaalsContact O-CA 3.31Å; V220-K335 WeakPolarHBondContact O-CA 3.34Å; E221-K335 HydrophobicContact CB-CB 4.26Å; E221-K335 HydrophobicContact CB-CG 4.39Å; E221-K335 HydrophobicContact CG-CB 4.23Å; P333-K335 VanDerWaalsContact C-N 3.32Å; P333-K335 PolarHBondContact O-N 3.4Å
336	V	98.7	Very high	97.9	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	147	179.2	-69.3	0	0	0	0	110.8	E219 V220 A239 M240 L243 I319 E320 A322 P333	E219-V336 WeakPolarHBondContact CA-O 3.4Å; V220-V336 HydrophobicContact CB-CG2 4.36Å; V220-V336 PolarHBondContact N-O 2.72Å; V220-V336 PolarHBondContact O-N 3.4Å; A239-V336 HydrophobicContact CB-CG2 3.87Å; M240-V336 HydrophobicContact CG-CG1 4.03Å; M240-V336 HydrophobicContact SD-CB 4.24Å; M240-V336 HydrophobicContact SD-CG1 3.73Å; M240-V336 HydrophobicContact SD-CG2 4.24Å; L243-V336 HydrophobicContact CB-CG2 3.93Å; L243-V336 HydrophobicContact CD2-CB 3.74Å; L243-V336 HydrophobicContact CD2-CG2 3.46Å; L243-V336 VanDerWaalsContact CD2-CG2 3.46Å; L243-V336 HydrophobicContact CG-CG2 4.29Å; I319-V336 HydrophobicContact CG2-CB 3.89Å; I319-V336 HydrophobicContact CG2-CG1 4.21Å; E320-V336 CarbonylContact O-C 3.55Å; E320-V336 VanDerWaalsContact O-CA 3.28Å; E320-V336 WeakPolarHBondContact O-CA 3.24Å; A322-V336 HydrophobicContact CB-CG1 4.13Å; P333-V336 HydrophobicContact CB-CG1 3.64Å; P333-V336 HydrophobicContact CG-CG1 4.24Å
337	I	98.8	Very high	98.1	Very high	23 Å²	23	42.6 Å²	42.6	12%	0.118	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	106.3	179.4	-53	176.3	0	0	0	108.7	F217 V218 E219 I319 E320	F217-I337 HydrophobicContact CB-CG2 3.86Å; F217-I337 HydrophobicContact CD1-CG2 4.05Å; F217-I337 HydrophobicContact CG-CG2 4.46Å; V218-I337 CarbonylContact O-C 3.51Å; V218-I337 WeakPolarHBondContact O-CA 3.29Å; E219-I337 HydrophobicContact CB-CG1 4.11Å; E219-I337 HydrophobicContact CG-CG1 4.09Å; I319-I337 WeakPolarHBondContact CA-O 3.4Å; E320-I337 HydrophobicContact CB-CB 4.37Å; E320-I337 PolarHBondContact N-O 2.92Å; E320-I337 PolarHBondContact O-N 3.26Å
338	G	98.8	Very high	98.2	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	136.6	171.7	0	0	0	0	0	111.1	F217 V218	F217-G338 WeakPolarHBondContact CA-O 3.48Å; V218-G338 PolarHBondContact N-O 3.28Å; V218-G338 PolarHBondContact O-N 3.42Å
339	K	98.6	Very high	98.3	Very high	42 Å²	42	37.7 Å²	37.7	18%	0.183	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	130.8	179.7	-63.1	-171	177.5	75.4	0	110.5	Y215 F217 H317 G318 E320	Y215-K339 HydrophobicContact CE1-CB 3.97Å; Y215-K339 HydrophobicContact CE1-CD 4.25Å; Y215-K339 HydrophobicContact CE1-CG 4.3Å; F217-K339 HydrophobicContact CD1-CD 4.37Å; F217-K339 HydrophobicContact CD1-CG 3.99Å; F217-K339 HydrophobicContact CE1-CD 4.06Å; F217-K339 HydrophobicContact CE1-CG 4.16Å; H317-K339 HydrophobicContact CB-CB 4.08Å; H317-K339 PolarHBondContact N-O 3.49Å; G318-K339 PolarHBondContact O-N 3.46Å; E320-K339 IonicContact OE2-NZ 3.32Å; E320-K339 PolarHBondContact OE2-NZ 2.9Å
340	F	98.8	Very high	98.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	162.4	172.4	74.7	-86.7	0	0	0	110.2	F216 V218 L250 L314 S315 L316 H317 I342 V357	F216-F340 HydrophobicContact CB-CD1 3.92Å; F216-F340 HydrophobicContact CB-CD2 4.38Å; F216-F340 HydrophobicContact CB-CE1 3.47Å; F216-F340 VanDerWaalsContact CB-CE1 3.47Å; F216-F340 HydrophobicContact CB-CE2 3.97Å; F216-F340 HydrophobicContact CB-CG 4.36Å; F216-F340 HydrophobicContact CB-CZ 3.51Å; F216-F340 HydrophobicContact CD2-CD2 4.28Å; F216-F340 AromaticContact CD2-CE2 3.62Å; F216-F340 HydrophobicContact CD2-CE2 3.62Å; F216-F340 AromaticContact CD2-CZ 3.84Å; F216-F340 HydrophobicContact CD2-CZ 3.84Å; F216-F340 HydrophobicContact CE2-CE2 4.45Å; F216-F340 HydrophobicContact CG-CE1 4.24Å; F216-F340 HydrophobicContact CG-CE2 4.04Å; F216-F340 AromaticContact CG-CZ 3.77Å; F216-F340 HydrophobicContact CG-CZ 3.77Å; F216-F340 PolarHBondContact N-O 3.47Å; F216-F340 PolarHBondContact O-N 3.08Å; V218-F340 HydrophobicContact CG2-CD1 4.29Å; V218-F340 HydrophobicContact CG2-CE1 3.69Å; L250-F340 HydrophobicContact CD1-CD1 3.71Å; L250-F340 HydrophobicContact CD1-CD2 4.04Å; L250-F340 HydrophobicContact CD1-CE1 3.69Å; L250-F340 HydrophobicContact CD1-CE2 4.03Å; L250-F340 HydrophobicContact CD1-CG 3.88Å; L250-F340 HydrophobicContact CD1-CZ 3.84Å; L250-F340 HydrophobicContact CD2-CZ 4.36Å; L314-F340 HydrophobicContact CD1-CD2 3.91Å; L314-F340 HydrophobicContact CD1-CE2 3.99Å; L314-F340 HydrophobicContact CD2-CB 4.5Å; L314-F340 HydrophobicContact CD2-CD2 4.19Å; L314-F340 HydrophobicContact CG-CD2 3.97Å; S315-F340 VanDerWaalsContact O-CA 3.22Å; S315-F340 WeakPolarHBondContact O-CA 3.32Å; S315-F340 VanDerWaalsContact O-CB 3.24Å; S315-F340 WeakPolarHBondContact O-CB 2.81Å; L316-F340 HydrophobicContact CD2-CB 3.75Å; L316-F340 HydrophobicContact CD2-CG 4.45Å; H317-F340 VanDerWaalsContact CD2-CA 3.44Å; H317-F340 WeakPolarHBondContact CD2-CA 3.43Å; F340-I342 HydrophobicContact CD2-CG1 4.48Å; F340-I342 HydrophobicContact CE2-CD1 4.35Å; F340-I342 HydrophobicContact CE2-CG1 4.22Å; F340-V357 HydrophobicContact CE2-CG1 4.39Å; F340-V357 HydrophobicContact CZ-CG1 3.66Å
341	S	98.7	Very high	98.3	Very high	6 Å²	6	35.7 Å²	35.7	4%	0.042	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	153.9	173.2	65.1	0	0	0	0	111.9	C214 L314 S315 H317	C214-S341 CarbonylContact O-C 3.55Å; C214-S341 WeakPolarHBondContact O-CA 3.43Å; C214-S341 WeakPolarHBondContact O-CB 3.41Å; L314-S341 WeakPolarHBondContact CA-O 3.24Å; S315-S341 PolarHBondContact N-O 3.28Å; S315-S341 VanDerWaalsContact N-O 3.09Å; S315-S341 PolarHBondContact O-N 3.2Å; H317-S341 PolarHBondContact CE1-OG 3.2Å; H317-S341 WeakPolarHBondContact NE2-CB 3.01Å; H317-S341 PolarHBondContact NE2-N 2.81Å; H317-S341 PolarHBondContact NE2-OG 3.22Å
342	I	98.8	Very high	98.3	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	126.3	170.9	-55.8	179.1	0	0	0	107.8	I213 C214 F216 I257 I259 M262 S313 L314 F340 L344 V353 V357	I213-I342 CarbonylContact C-O 3.49Å; I213-I342 WeakPolarHBondContact CA-O 3.48Å; C214-I342 PolarHBondContact N-O 2.86Å; C214-I342 PolarHBondContact O-N 2.86Å; F216-I342 HydrophobicContact CE2-CD1 4.18Å; F216-I342 HydrophobicContact CE2-CG1 4.36Å; I257-I342 HydrophobicContact CD1-CG2 4.05Å; I259-I342 HydrophobicContact CD1-CD1 3.91Å; M262-I342 HydrophobicContact CE-CD1 3.6Å; M262-I342 HydrophobicContact SD-CD1 4.11Å; M262-I342 HydrophobicContact SD-CG2 4.19Å; S313-I342 CarbonylContact O-C 3.53Å; S313-I342 WeakPolarHBondContact O-CA 3.48Å; L314-I342 HydrophobicContact CB-CG1 4.47Å; L314-I342 HydrophobicContact CD1-CD1 4.22Å; L314-I342 HydrophobicContact CD1-CG1 3.96Å; L314-I342 HydrophobicContact CG-CG1 4.18Å; F340-I342 HydrophobicContact CD2-CG1 4.48Å; F340-I342 HydrophobicContact CE2-CD1 4.35Å; F340-I342 HydrophobicContact CE2-CG1 4.22Å; I342-L344 HydrophobicContact CB-CD1 4.28Å; I342-L344 HydrophobicContact CG2-CD1 4.09Å; I342-L344 VanDerWaalsContact O-CD1 3.29Å; I342-L344 WeakPolarHBondContact O-CD1 3.02Å; I342-V353 HydrophobicContact CD1-CG1 4.01Å; I342-V357 HydrophobicContact CD1-CG2 3.65Å
343	R	98.8	Very high	98.3	Very high	64 Å²	64	37.6 Å²	37.6	24%	0.242	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	122.5	168.1	-66	-72.5	-174.4	178.5	-0.5	108.8	R211 G212 P312 S313 S417	R211-R343 HydrophobicContact CB-CB 4.21Å; G212-R343 CarbonylContact O-C 3.55Å; G212-R343 VanDerWaalsContact O-CA 3.28Å; G212-R343 WeakPolarHBondContact O-CA 3.45Å; P312-R343 VanDerWaalsContact CA-O 3.26Å; P312-R343 WeakPolarHBondContact CA-O 3.41Å; P312-R343 WeakPolarHBondContact CB-O 3.31Å; S313-R343 PolarHBondContact N-O 3.22Å; S313-R343 PolarHBondContact O-N 3.44Å; R343-S417 PolarHBondContact NH1-OG 3.46Å
344	L	98.7	Very high	98.3	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	152.5	-177	-82.1	63.6	0	0	0	110.3	R211 G212 C214 I342 M348 P350 V353	R211-L344 CarbonylContact C-O 3.55Å; R211-L344 WeakPolarHBondContact CA-O 3.42Å; R211-L344 WeakPolarHBondContact CB-O 3.26Å; R211-L344 WeakPolarHBondContact CG-O 3.36Å; G212-L344 PolarHBondContact N-O 3.04Å; G212-L344 PolarHBondContact O-N 2.93Å; C214-L344 HydrophobicContact CB-CD1 3.97Å; I342-L344 HydrophobicContact CB-CD1 4.28Å; I342-L344 HydrophobicContact CG2-CD1 4.09Å; I342-L344 VanDerWaalsContact O-CD1 3.29Å; I342-L344 WeakPolarHBondContact O-CD1 3.02Å; L344-M348 HydrophobicContact CB-CB 4.12Å; L344-M348 HydrophobicContact CB-SD 4.33Å; L344-M348 HydrophobicContact CD2-CB 4.04Å; L344-M348 HydrophobicContact CG-CB 3.94Å; L344-M348 HydrophobicContact CG-CE 4.24Å; L344-M348 HydrophobicContact CG-SD 4.31Å; L344-P350 HydrophobicContact CD2-CB 4.42Å; L344-P350 HydrophobicContact CD2-CG 3.88Å; L344-V353 HydrophobicContact CD1-CG1 4.45Å; L344-V353 HydrophobicContact CD2-CG2 4.12Å; L344-V353 HydrophobicContact CG-CG2 4.27Å
345	V	98.6	Very high	98.3	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.006	20%	0.196	C	C	.	.			trans	-123.2	171.3	176	-66	0	0	0	0	108.7	R211 V266 R310 Y311 M348	R211-V345 HydrophobicContact CG-CG1 4.19Å; V266-V345 HydrophobicContact CG1-CG2 4.13Å; V266-V345 HydrophobicContact CG2-CG2 3.98Å; R310-V345 VanDerWaalsContact C-CG1 3.46Å; R310-V345 WeakPolarHBondContact O-CB 3.45Å; R310-V345 WeakPolarHBondContact O-CG2 2.96Å; Y311-V345 VanDerWaalsContact C-CG1 3.49Å; Y311-V345 WeakPolarHBondContact O-CG1 3.42Å; V345-M348 HydrophobicContact CG2-CG 4.23Å; V345-M348 HydrophobicContact CG2-SD 3.57Å; V345-M348 VanDerWaalsContact CG2-SD 3.57Å; V345-M348 PolarHBondContact N-SD 2.97Å; V345-M348 WeakPolarHBondContact O-CB 3.42Å; V345-M348 WeakPolarHBondContact O-CG 3.28Å; V345-M348 PolarHBondContact O-N 2.99Å
346	P	95.9	Very high	98.3	Very high	26 Å²	26	39.2 Å²	39.2	17%	0.169	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.3	145.3	-176.8	-31.6	38.3	0	0	0	113.1	M348 V386	P346-M348 PolarHBondContact O-N 2.93Å; P346-V386 HydrophobicContact CG-CG2 3.6Å
347	D	96.2	Very high	98.3	Very high	120 Å²	120	39.2 Å²	39.2	64%	0.642	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.1	-5.9	-177.6	-50.3	-25.2	0	0	0	116.1	S265 A267	S265-D347 WeakPolarHBondContact CB-O 2.81Å; S265-D347 CarbonylContact O-C 3.56Å; S265-D347 WeakPolarHBondContact O-CB 3.47Å; A267-D347 WeakPolarHBondContact CB-OD2 3.41Å
348	M	98.3	Very high	98.3	Very high	11 Å²	11	39.4 Å²	39.4	5%	0.054	19%	0.193	C	C	.	.			trans	-79.7	129.4	169.9	-59.2	-179.7	75.2	0	0	111.6	M262 V266 P312 L344 V345 P346 V353	M262-M348 HydrophobicContact CG-CE 4.38Å; M262-M348 HydrophobicContact SD-CE 3.56Å; M262-M348 VanDerWaalsContact SD-CE 3.56Å; V266-M348 HydrophobicContact CG2-CG 4.47Å; V266-M348 HydrophobicContact CG2-SD 4.13Å; P312-M348 HydrophobicContact CB-CE 4.13Å; P312-M348 HydrophobicContact CB-SD 3.91Å; P312-M348 HydrophobicContact CG-CE 4.49Å; P312-M348 HydrophobicContact CG-SD 4.26Å; L344-M348 HydrophobicContact CB-CB 4.12Å; L344-M348 HydrophobicContact CB-SD 4.33Å; L344-M348 HydrophobicContact CD2-CB 4.04Å; L344-M348 HydrophobicContact CG-CB 3.94Å; L344-M348 HydrophobicContact CG-CE 4.24Å; L344-M348 HydrophobicContact CG-SD 4.31Å; V345-M348 HydrophobicContact CG2-CG 4.23Å; V345-M348 HydrophobicContact CG2-SD 3.57Å; V345-M348 VanDerWaalsContact CG2-SD 3.57Å; V345-M348 PolarHBondContact N-SD 2.97Å; V345-M348 WeakPolarHBondContact O-CB 3.42Å; V345-M348 WeakPolarHBondContact O-CG 3.28Å; V345-M348 PolarHBondContact O-N 2.99Å; P346-M348 PolarHBondContact O-N 2.93Å; M348-V353 HydrophobicContact CE-CG2 3.83Å
349	D	97.7	Very high	98.3	Very high	58 Å²	58	43 Å²	43	31%	0.31	21%	0.212	S	C	.	.			trans	-101.4	125.6	175.8	-171.5	-58.7	0	0	0	111	K351 V352 V353	D349-K351 VanDerWaalsContact C-N 3.25Å; D349-K351 PolarHBondContact O-N 3.37Å; D349-K351 WeakPolarHBondContact OD1-CB 3.36Å; D349-K351 PolarHBondContact OD1-N 2.97Å; D349-V352 HydrophobicContact CB-CB 4.23Å; D349-V352 HydrophobicContact CB-CG2 3.97Å; D349-V352 PolarHBondContact O-N 3.28Å; D349-V353 WeakPolarHBondContact O-CG2 3.32Å; D349-V353 PolarHBondContact O-N 2.91Å
350	P	97.6	Very high	98.3	Very high	11 Å²	11	41.8 Å²	41.8	7%	0.071	21%	0.206	C	C	.	.	H	α-helix	trans	-50.4	-38.8	178.1	-30.1	35.3	0	0	0	115	L344 V353 E354 K383	L344-P350 HydrophobicContact CD2-CB 4.42Å; L344-P350 HydrophobicContact CD2-CG 3.88Å; P350-V353 PolarHBondContact O-N 2.91Å; P350-E354 WeakPolarHBondContact O-CB 3.4Å; P350-E354 PolarHBondContact O-N 3.36Å; P350-K383 HydrophobicContact CG-CG 3.97Å
351	K	97.6	Very high	98.3	Very high	162 Å²	162	41.8 Å²	41.8	70%	0.704	21%	0.207	S	C	*	.	H	α-helix	trans	-70.6	-34.8	-179.5	-63.6	-178.4	178.7	178.3	0	112	D349 K355	D349-K351 VanDerWaalsContact C-N 3.25Å; D349-K351 PolarHBondContact O-N 3.37Å; D349-K351 WeakPolarHBondContact OD1-CB 3.36Å; D349-K351 PolarHBondContact OD1-N 2.97Å; K351-K355 PolarHBondContact O-N 3.22Å; K351-K355 VanDerWaalsContact O-N 3.14Å
352	V	98.5	Very high	98.3	Very high	70 Å²	70	46.4 Å²	46.4	42%	0.424	23%	0.227	S	C	.	.	H	α-helix	trans	-70.9	-44.3	175.6	177	0	0	0	0	109.9	D349 E354 K355 Q356	D349-V352 HydrophobicContact CB-CB 4.23Å; D349-V352 HydrophobicContact CB-CG2 3.97Å; D349-V352 PolarHBondContact O-N 3.28Å; V352-E354 PolarHBondContact O-N 3.14Å; V352-K355 PolarHBondContact O-N 3.03Å; V352-Q356 HydrophobicContact CG1-CG 4.44Å; V352-Q356 VanDerWaalsContact O-CG 3.31Å; V352-Q356 WeakPolarHBondContact O-CG 3.28Å; V352-Q356 PolarHBondContact O-N 2.59Å
353	V	98.6	Very high	98.3	Very high	3 Å²	3	53 Å²	53	2%	0.018	26%	0.256	C	S	.	.	H	α-helix	trans	-61.5	-43.6	176.4	173.7	0	0	0	0	111	C214 F216 M262 I342 L344 M348 D349 P350 K355 Q356 V357	C214-V353 HydrophobicContact CB-CG1 4.29Å; F216-V353 HydrophobicContact CE2-CG1 4.38Å; F216-V353 HydrophobicContact CZ-CG1 4.28Å; M262-V353 HydrophobicContact CE-CG1 4.19Å; M262-V353 HydrophobicContact SD-CG1 4.31Å; M262-V353 HydrophobicContact SD-CG2 4.48Å; I342-V353 HydrophobicContact CD1-CG1 4.01Å; L344-V353 HydrophobicContact CD1-CG1 4.45Å; L344-V353 HydrophobicContact CD2-CG2 4.12Å; L344-V353 HydrophobicContact CG-CG2 4.27Å; M348-V353 HydrophobicContact CE-CG2 3.83Å; D349-V353 WeakPolarHBondContact O-CG2 3.32Å; D349-V353 PolarHBondContact O-N 2.91Å; P350-V353 PolarHBondContact O-N 2.91Å; V353-K355 PolarHBondContact O-N 3.01Å; V353-Q356 PolarHBondContact O-N 3.43Å; V353-V357 HydrophobicContact CG1-CG2 4.33Å; V353-V357 WeakPolarHBondContact O-CB 3.31Å; V353-V357 VanDerWaalsContact O-CG2 3.28Å; V353-V357 WeakPolarHBondContact O-CG2 3.17Å; V353-V357 PolarHBondContact O-N 3.44Å
354	E	98.6	Very high	98.3	Very high	65 Å²	65	55 Å²	55	30%	0.304	26%	0.264	S	S	.	.	H	α-helix	trans	-54.7	-51.6	173.9	177.9	174.8	-145	0	0	111.2	F216 P350 V352 Q356 V357 V358 M378	F216-E354 HydrophobicContact CE1-CB 4.26Å; F216-E354 HydrophobicContact CE1-CG 4.25Å; F216-E354 HydrophobicContact CZ-CB 4.42Å; P350-E354 WeakPolarHBondContact O-CB 3.4Å; P350-E354 PolarHBondContact O-N 3.36Å; V352-E354 PolarHBondContact O-N 3.14Å; E354-Q356 PolarHBondContact O-N 3.21Å; E354-V357 PolarHBondContact O-N 3.33Å; E354-V358 HydrophobicContact CG-CG2 4.32Å; E354-V358 WeakPolarHBondContact O-CB 3.44Å; E354-V358 VanDerWaalsContact O-CG2 3.3Å; E354-V358 WeakPolarHBondContact O-CG2 3.25Å; E354-V358 PolarHBondContact O-N 3.09Å; E354-M378 HydrophobicContact CB-CE 4.18Å; E354-M378 HydrophobicContact CB-SD 3.9Å; E354-M378 HydrophobicContact CG-CB 4.05Å; E354-M378 HydrophobicContact CG-CE 4.48Å; E354-M378 HydrophobicContact CG-SD 4.38Å; E354-M378 VanDerWaalsContact OE1-CB 3.28Å; E354-M378 WeakPolarHBondContact OE1-CB 3.3Å
355	K	98.6	Very high	98.3	Very high	125 Å²	125	56 Å²	56	54%	0.543	27%	0.268	S	S	.	.	H	α-helix	trans	-58.7	-47.3	178.3	-170	-172.8	-174.2	-51	0	111.9	K351 V352 V353 V357 V358 D359	K351-K355 PolarHBondContact O-N 3.22Å; K351-K355 VanDerWaalsContact O-N 3.14Å; V352-K355 PolarHBondContact O-N 3.03Å; V353-K355 PolarHBondContact O-N 3.01Å; K355-V357 VanDerWaalsContact C-N 3.31Å; K355-V357 PolarHBondContact O-N 2.85Å; K355-V358 PolarHBondContact O-N 2.83Å; K355-D359 IonicContact NZ-OD1 3.18Å; K355-D359 PolarHBondContact NZ-OD1 3.08Å; K355-D359 IonicContact NZ-OD2 3.98Å; K355-D359 PolarHBondContact NZ-OD2 2.71Å; K355-D359 VanDerWaalsContact O-CB 3.32Å; K355-D359 WeakPolarHBondContact O-CB 3.4Å; K355-D359 PolarHBondContact O-N 3.33Å
356	Q	98.8	Very high	98.3	Very high	37 Å²	37	59.4 Å²	59.4	17%	0.173	30%	0.296	C	S	.	.	H	α-helix	trans	-59.7	-41.4	179.4	-73	173.1	-18.5	0	0	112.2	I259 G261 V352 V353 E354 Y360	I259-Q356 HydrophobicContact CG2-CB 4.06Å; G261-Q356 VanDerWaalsContact C-NE2 3.33Å; G261-Q356 PolarHBondContact O-NE2 2.94Å; V352-Q356 HydrophobicContact CG1-CG 4.44Å; V352-Q356 VanDerWaalsContact O-CG 3.31Å; V352-Q356 WeakPolarHBondContact O-CG 3.28Å; V352-Q356 PolarHBondContact O-N 2.59Å; V353-Q356 PolarHBondContact O-N 3.43Å; E354-Q356 PolarHBondContact O-N 3.21Å; Q356-Y360 VanDerWaalsContact O-CB 3.25Å; Q356-Y360 WeakPolarHBondContact O-CB 3.5Å; Q356-Y360 PolarHBondContact O-N 2.9Å; Q356-Y360 VanDerWaalsContact O-N 3.12Å
357	V	98.8	Very high	98.4	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-66.5	-51.6	177.7	167	0	0	0	0	111	F216 I259 M262 F340 I342 V353 E354 K355 Y360 V361	F216-V357 HydrophobicContact CD1-CB 4.34Å; F216-V357 HydrophobicContact CD1-CG1 3.69Å; F216-V357 HydrophobicContact CD2-CG1 4.28Å; F216-V357 HydrophobicContact CD2-CG2 4.4Å; F216-V357 HydrophobicContact CE1-CB 3.83Å; F216-V357 HydrophobicContact CE1-CG1 3.71Å; F216-V357 HydrophobicContact CE1-CG2 4.2Å; F216-V357 HydrophobicContact CE2-CB 4.31Å; F216-V357 HydrophobicContact CE2-CG1 4.29Å; F216-V357 HydrophobicContact CE2-CG2 3.78Å; F216-V357 HydrophobicContact CG-CG1 3.99Å; F216-V357 HydrophobicContact CZ-CB 3.83Å; F216-V357 HydrophobicContact CZ-CG1 4.03Å; F216-V357 HydrophobicContact CZ-CG2 3.68Å; I259-V357 HydrophobicContact CD1-CG2 3.73Å; M262-V357 HydrophobicContact CE-CG2 4.32Å; F340-V357 HydrophobicContact CE2-CG1 4.39Å; F340-V357 HydrophobicContact CZ-CG1 3.66Å; I342-V357 HydrophobicContact CD1-CG2 3.65Å; V353-V357 HydrophobicContact CG1-CG2 4.33Å; V353-V357 WeakPolarHBondContact O-CB 3.31Å; V353-V357 VanDerWaalsContact O-CG2 3.28Å; V353-V357 WeakPolarHBondContact O-CG2 3.17Å; V353-V357 PolarHBondContact O-N 3.44Å; E354-V357 PolarHBondContact O-N 3.33Å; K355-V357 VanDerWaalsContact C-N 3.31Å; K355-V357 PolarHBondContact O-N 2.85Å; V357-Y360 PolarHBondContact O-N 3.34Å; V357-V361 HydrophobicContact CG1-CG2 4.35Å; V357-V361 WeakPolarHBondContact O-CG2 3.38Å; V357-V361 PolarHBondContact O-N 3.39Å
358	V	98.8	Very high	98.5	Very high	27 Å²	27	60.6 Å²	60.6	16%	0.164	30%	0.301	C	S	.	.	H	α-helix	trans	-59.2	-51.8	-178.8	172.1	0	0	0	0	110	E354 K355 Y360 V361 E362 V376	E354-V358 HydrophobicContact CG-CG2 4.32Å; E354-V358 WeakPolarHBondContact O-CB 3.44Å; E354-V358 VanDerWaalsContact O-CG2 3.3Å; E354-V358 WeakPolarHBondContact O-CG2 3.25Å; E354-V358 PolarHBondContact O-N 3.09Å; K355-V358 PolarHBondContact O-N 2.83Å; V358-Y360 VanDerWaalsContact C-N 3.27Å; V358-Y360 PolarHBondContact O-N 3.18Å; V358-V361 PolarHBondContact O-N 2.88Å; V358-E362 HydrophobicContact CG1-CG 4.19Å; V358-E362 WeakPolarHBondContact O-CB 3.39Å; V358-E362 WeakPolarHBondContact O-CG 3.43Å; V358-E362 PolarHBondContact O-N 3.11Å; V358-V376 HydrophobicContact CG2-CB 4.25Å; V358-V376 HydrophobicContact CG2-CG1 3.97Å
359	D	98.8	Very high	98.5	Very high	76 Å²	76	63.1 Å²	63.1	41%	0.406	33%	0.329	S	S	.	.	H	α-helix	trans	-56	-42.7	178.6	-69.3	-12.7	0	0	0	111.7	K355 K363	K355-D359 IonicContact NZ-OD1 3.18Å; K355-D359 PolarHBondContact NZ-OD1 3.08Å; K355-D359 IonicContact NZ-OD2 3.98Å; K355-D359 PolarHBondContact NZ-OD2 2.71Å; K355-D359 VanDerWaalsContact O-CB 3.32Å; K355-D359 WeakPolarHBondContact O-CB 3.4Å; K355-D359 PolarHBondContact O-N 3.33Å; D359-K363 VanDerWaalsContact O-CB 3.26Å; D359-K363 WeakPolarHBondContact O-CB 3.43Å; D359-K363 PolarHBondContact O-N 2.9Å; D359-K363 VanDerWaalsContact O-N 3.1Å
360	Y	98.8	Very high	98.5	Very high	15 Å²	15	61.1 Å²	61.1	6%	0.059	32%	0.32	C	S	.	.	H	α-helix	trans	-68	-48	-179.6	179	-107.7	0	0	0	112	S249 L250 I259 P260 Q356 V357 V358 K363 R364	S249-Y360 PolarHBondContact O-OH 3.19Å; L250-Y360 HydrophobicContact CD2-CD1 4.17Å; L250-Y360 HydrophobicContact CD2-CE1 4.11Å; I259-Y360 HydrophobicContact CB-CD1 4.47Å; I259-Y360 HydrophobicContact CG1-CD1 3.69Å; I259-Y360 HydrophobicContact CG1-CE1 4.11Å; I259-Y360 HydrophobicContact CG1-CG 4.2Å; I259-Y360 HydrophobicContact CG2-CG 4.39Å; P260-Y360 HydrophobicContact CG-CD2 4.13Å; P260-Y360 HydrophobicContact CG-CE2 4.46Å; Q356-Y360 VanDerWaalsContact O-CB 3.25Å; Q356-Y360 WeakPolarHBondContact O-CB 3.5Å; Q356-Y360 PolarHBondContact O-N 2.9Å; Q356-Y360 VanDerWaalsContact O-N 3.12Å; V357-Y360 PolarHBondContact O-N 3.34Å; V358-Y360 VanDerWaalsContact C-N 3.27Å; V358-Y360 PolarHBondContact O-N 3.18Å; Y360-K363 PolarHBondContact O-N 3.04Å; Y360-R364 HydrophobicContact CD1-CG 4.31Å; Y360-R364 HydrophobicContact CD2-CG 4.31Å; Y360-R364 HydrophobicContact CE1-CG 3.98Å; Y360-R364 HydrophobicContact CE2-CG 3.98Å; Y360-R364 VanDerWaalsContact CE2-NE 3.32Å; Y360-R364 HydrophobicContact CG-CG 4.49Å; Y360-R364 VanDerWaalsContact CZ-NE 3.26Å; Y360-R364 WeakPolarHBondContact O-CB 3.18Å; Y360-R364 VanDerWaalsContact O-CG 3.26Å; Y360-R364 WeakPolarHBondContact O-CG 3.48Å; Y360-R364 PolarHBondContact O-N 2.68Å; Y360-R364 PolarHBondContact OH-NE 3.1Å; Y360-R364 PolarHBondContact OH-NH2 3.41Å
361	V	98.8	Very high	98.6	Very high	1 Å²	1	65.1 Å²	65.1	1%	0.006	35%	0.346	C	S	.	.	H	α-helix	trans	-66.4	-43.2	-178.4	174.7	0	0	0	0	110.9	V218 L246 L250 V357 V358 K363 R364 F365 L374 V376	V218-V361 HydrophobicContact CG1-CG1 4.06Å; V218-V361 HydrophobicContact CG2-CG1 4.41Å; L246-V361 HydrophobicContact CD1-CG1 4.17Å; L246-V361 HydrophobicContact CD2-CG1 4.25Å; L250-V361 HydrophobicContact CD2-CG2 4.14Å; V357-V361 HydrophobicContact CG1-CG2 4.35Å; V357-V361 WeakPolarHBondContact O-CG2 3.38Å; V357-V361 PolarHBondContact O-N 3.39Å; V358-V361 PolarHBondContact O-N 2.88Å; V361-K363 PolarHBondContact O-N 3.07Å; V361-R364 PolarHBondContact O-N 2.91Å; V361-F365 WeakPolarHBondContact O-CB 3.35Å; V361-F365 PolarHBondContact O-N 2.68Å; V361-L374 HydrophobicContact CG1-CD1 4.39Å; V361-L374 HydrophobicContact CG1-CD2 4.28Å; V361-V376 HydrophobicContact CB-CG2 4.09Å; V361-V376 HydrophobicContact CG1-CG2 3.59Å
362	E	98.8	Very high	98.6	Very high	103 Å²	103	58.3 Å²	58.3	48%	0.481	32%	0.317	S	S	.	.	H	α-helix	trans	-61.2	-43.8	176.4	-72.8	-177.5	163.8	0	0	111.7	V358 F365 A366 L374	V358-E362 HydrophobicContact CG1-CG 4.19Å; V358-E362 WeakPolarHBondContact O-CB 3.39Å; V358-E362 WeakPolarHBondContact O-CG 3.43Å; V358-E362 PolarHBondContact O-N 3.11Å; E362-F365 PolarHBondContact O-N 2.79Å; E362-A366 WeakPolarHBondContact O-CB 3.37Å; E362-A366 PolarHBondContact O-N 2.84Å; E362-L374 HydrophobicContact CG-CD2 4.09Å
363	K	98.7	Very high	98.6	Very high	139 Å²	139	61.3 Å²	61.3	60%	0.604	33%	0.325	S	S	*	.	H	α-helix	trans	-61.5	-47.3	174.6	-178.2	178.8	178.5	-179.9	0	111.7	D359 Y360 V361 F365 A366 D367	D359-K363 VanDerWaalsContact O-CB 3.26Å; D359-K363 WeakPolarHBondContact O-CB 3.43Å; D359-K363 PolarHBondContact O-N 2.9Å; D359-K363 VanDerWaalsContact O-N 3.1Å; Y360-K363 PolarHBondContact O-N 3.04Å; V361-K363 PolarHBondContact O-N 3.07Å; K363-F365 VanDerWaalsContact C-N 3.27Å; K363-F365 PolarHBondContact O-N 3.45Å; K363-A366 PolarHBondContact O-N 2.83Å; K363-D367 PolarHBondContact O-N 3.45Å
364	R	98.7	Very high	98.7	Very high	105 Å²	105	63.2 Å²	63.2	40%	0.396	33%	0.334	S	S	.	.	H	α-helix	trans	-61.3	-37.4	178.4	-73.1	-59.4	-167.5	174.9	4.7	112.2	L246 Y360 V361 D367 L368	L246-R364 HydrophobicContact CD2-CB 3.63Å; Y360-R364 HydrophobicContact CD1-CG 4.31Å; Y360-R364 HydrophobicContact CD2-CG 4.31Å; Y360-R364 HydrophobicContact CE1-CG 3.98Å; Y360-R364 HydrophobicContact CE2-CG 3.98Å; Y360-R364 VanDerWaalsContact CE2-NE 3.32Å; Y360-R364 HydrophobicContact CG-CG 4.49Å; Y360-R364 VanDerWaalsContact CZ-NE 3.26Å; Y360-R364 WeakPolarHBondContact O-CB 3.18Å; Y360-R364 VanDerWaalsContact O-CG 3.26Å; Y360-R364 WeakPolarHBondContact O-CG 3.48Å; Y360-R364 PolarHBondContact O-N 2.68Å; Y360-R364 PolarHBondContact OH-NE 3.1Å; Y360-R364 PolarHBondContact OH-NH2 3.41Å; V361-R364 PolarHBondContact O-N 2.91Å; R364-D367 PolarHBondContact O-N 3.24Å; R364-L368 WeakPolarHBondContact O-CG 3.35Å; R364-L368 PolarHBondContact O-N 3.01Å
365	F	98.8	Very high	98.7	Very high	22 Å²	22	65.8 Å²	65.8	10%	0.096	35%	0.345	C	S	.	.	H	α-helix	trans	-68.8	-42.2	176.6	-176.6	-104.2	0	0	0	111.9	V220 D242 L246 V361 E362 K363 D367 L368 N372 L374	V220-F365 HydrophobicContact CG1-CE2 4.35Å; D242-F365 HydrophobicContact CB-CD2 4.38Å; D242-F365 HydrophobicContact CB-CE2 4Å; L246-F365 HydrophobicContact CD1-CB 4.33Å; L246-F365 HydrophobicContact CD1-CD2 3.95Å; L246-F365 HydrophobicContact CD2-CB 3.92Å; V361-F365 WeakPolarHBondContact O-CB 3.35Å; V361-F365 PolarHBondContact O-N 2.68Å; E362-F365 PolarHBondContact O-N 2.79Å; K363-F365 VanDerWaalsContact C-N 3.27Å; K363-F365 PolarHBondContact O-N 3.45Å; F365-D367 VanDerWaalsContact C-N 3.27Å; F365-D367 PolarHBondContact O-N 3.01Å; F365-L368 HydrophobicContact CD2-CD1 4.12Å; F365-L368 VanDerWaalsContact O-CB 3.3Å; F365-L368 WeakPolarHBondContact O-CB 3.43Å; F365-L368 PolarHBondContact O-N 3.02Å; F365-N372 WeakPolarHBondContact CE1-O 3.07Å; F365-N372 HydrophobicContact CE2-CB 4.48Å; F365-N372 HydrophobicContact CZ-CB 4.06Å; F365-N372 VanDerWaalsContact CZ-O 3.24Å; F365-N372 WeakPolarHBondContact CZ-O 3.28Å; F365-L374 HydrophobicContact CB-CD2 3.63Å; F365-L374 HydrophobicContact CD1-CB 3.72Å; F365-L374 HydrophobicContact CD1-CD2 3.89Å; F365-L374 HydrophobicContact CD1-CG 4.37Å; F365-L374 HydrophobicContact CD2-CB 4.38Å; F365-L374 HydrophobicContact CD2-CD1 4.5Å; F365-L374 HydrophobicContact CE1-CB 3.74Å; F365-L374 HydrophobicContact CE2-CB 4.38Å; F365-L374 HydrophobicContact CG-CB 4.05Å; F365-L374 HydrophobicContact CG-CD2 3.75Å; F365-L374 HydrophobicContact CG-CG 4.32Å; F365-L374 HydrophobicContact CZ-CB 4.09Å
366	A	98.6	Very high	98.6	Very high	71 Å²	71	60.7 Å²	60.7	59%	0.587	32%	0.324	S	S	*	.	H	α-helix	trans	-58.7	-39.8	173.8	0	0	0	0	0	112	E362 K363 L368 G369	E362-A366 WeakPolarHBondContact O-CB 3.37Å; E362-A366 PolarHBondContact O-N 2.84Å; K363-A366 PolarHBondContact O-N 2.83Å; A366-L368 PolarHBondContact O-N 3.24Å; A366-G369 PolarHBondContact O-N 3.43Å; A366-G369 VanDerWaalsContact O-N 3.07Å
367	D	98.5	Very high	98.6	Very high	109 Å²	109	61.5 Å²	61.5	58%	0.583	33%	0.331	S	S	*	.	H	α-helix	trans	-63	-20.7	176.6	-68.1	-22.2	0	0	0	113.2	K363 R364 F365 G369	K363-D367 PolarHBondContact O-N 3.45Å; R364-D367 PolarHBondContact O-N 3.24Å; F365-D367 VanDerWaalsContact C-N 3.27Å; F365-D367 PolarHBondContact O-N 3.01Å; D367-G369 VanDerWaalsContact C-N 3.31Å
368	L	98.3	Very high	98.4	Very high	63 Å²	63	63.5 Å²	63.5	33%	0.33	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-22	175.1	-59.1	176.7	0	0	0	112.8	D242 S245 R364 F365 A366 S370	D242-L368 HydrophobicContact CB-CD1 3.91Å; S245-L368 WeakPolarHBondContact OG-CD2 3.19Å; R364-L368 WeakPolarHBondContact O-CG 3.35Å; R364-L368 PolarHBondContact O-N 3.01Å; F365-L368 HydrophobicContact CD2-CD1 4.12Å; F365-L368 VanDerWaalsContact O-CB 3.3Å; F365-L368 WeakPolarHBondContact O-CB 3.43Å; F365-L368 PolarHBondContact O-N 3.02Å; A366-L368 PolarHBondContact O-N 3.24Å; L368-S370 PolarHBondContact O-N 3.2Å
369	G	98.3	Very high	98	Very high	63 Å²	63	64 Å²	64	65%	0.649	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.6	20	-173.2	0	0	0	0	0	114	A366 D367	A366-G369 PolarHBondContact O-N 3.43Å; A366-G369 VanDerWaalsContact O-N 3.07Å; D367-G369 VanDerWaalsContact C-N 3.31Å
370	S	98.5	Very high	97.3	Very high	17 Å²	17	64.1 Å²	64.1	12%	0.119	35%	0.35	C	S	.	.			trans	-75.1	140.3	-178.7	179.8	0	0	0	0	111.7	D242 L368 N372	D242-S370 WeakPolarHBondContact OD1-CB 3.35Å; D242-S370 VanDerWaalsContact OD2-CB 3.29Å; D242-S370 WeakPolarHBondContact OD2-CB 3.44Å; D242-S370 PolarHBondContact OD2-OG 3.44Å; L368-S370 PolarHBondContact O-N 3.2Å; S370-N372 VanDerWaalsContact C-N 3.27Å; S370-N372 WeakPolarHBondContact OG-CB 3.29Å; S370-N372 PolarHBondContact OG-N 3.01Å; S370-N372 PolarHBondContact OG-ND2 2.99Å
371	P	98.4	Very high	96.9	Very high	95 Å²	95	65.4 Å²	65.4	62%	0.617	37%	0.368	S	S	*	.			trans	-82.7	-0.8	173.9	36.1	-36.6	0	0	0	113.4	H237	H237-P371 HydrophobicContact CB-CG 4.07Å; H237-P371 WeakPolarHBondContact ND1-CD 3.09Å
372	N	98.8	Very high	96.7	Very high	18 Å²	18	66.1 Å²	66.1	10%	0.096	37%	0.373	C	S	.	.	S	Bend	trans	-66.2	162.3	-177.7	-68.8	-21.6	0	0	0	111.6	V220 E221 C222 H237 D242 F365 S370	V220-N372 HydrophobicContact CG1-CB 3.9Å; E221-N372 WeakPolarHBondContact O-CB 3.38Å; C222-N372 VanDerWaalsContact CA-OD1 3.28Å; C222-N372 WeakPolarHBondContact CA-OD1 3.39Å; C222-N372 WeakPolarHBondContact CB-OD1 3.38Å; H237-N372 PolarHBondContact O-ND2 3.03Å; H237-N372 PolarHBondContact O-OD1 2.86Å; D242-N372 PolarHBondContact OD2-ND2 2.91Å; F365-N372 WeakPolarHBondContact CE1-O 3.07Å; F365-N372 HydrophobicContact CE2-CB 4.48Å; F365-N372 HydrophobicContact CZ-CB 4.06Å; F365-N372 VanDerWaalsContact CZ-O 3.24Å; F365-N372 WeakPolarHBondContact CZ-O 3.28Å; S370-N372 VanDerWaalsContact C-N 3.27Å; S370-N372 WeakPolarHBondContact OG-CB 3.29Å; S370-N372 PolarHBondContact OG-N 3.01Å; S370-N372 PolarHBondContact OG-ND2 2.99Å
373	K	98.8	Very high	96.6	Very high	134 Å²	134	65.9 Å²	65.9	58%	0.583	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.8	132.4	175	-57.2	-178.3	-155.8	150	0	109.6	V220 E221	V220-K373 VanDerWaalsContact CA-O 3.29Å; V220-K373 WeakPolarHBondContact CA-O 3.35Å; E221-K373 HydrophobicContact CB-CB 4.4Å; E221-K373 PolarHBondContact N-O 2.99Å; E221-K373 PolarHBondContact O-N 3.36Å; E221-K373 WeakPolarHBondContact OE2-CD 3.42Å; E221-K373 IonicContact OE2-NZ 3.11Å; E221-K373 PolarHBondContact OE2-NZ 3.33Å
374	L	98.8	Very high	96.6	Very high	43 Å²	43	60 Å²	60	23%	0.225	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	139.5	172.6	177.5	72.4	0	0	0	110	V218 E219 V220 L246 V361 E362 F365 V376	V218-L374 HydrophobicContact CG1-CD1 3.82Å; E219-L374 CarbonylContact O-C 3.58Å; E219-L374 WeakPolarHBondContact O-CA 3.27Å; V220-L374 HydrophobicContact CG2-CD1 4.08Å; L246-L374 HydrophobicContact CD1-CD1 4.02Å; V361-L374 HydrophobicContact CG1-CD1 4.39Å; V361-L374 HydrophobicContact CG1-CD2 4.28Å; E362-L374 HydrophobicContact CG-CD2 4.09Å; F365-L374 HydrophobicContact CB-CD2 3.63Å; F365-L374 HydrophobicContact CD1-CB 3.72Å; F365-L374 HydrophobicContact CD1-CD2 3.89Å; F365-L374 HydrophobicContact CD1-CG 4.37Å; F365-L374 HydrophobicContact CD2-CB 4.38Å; F365-L374 HydrophobicContact CD2-CD1 4.5Å; F365-L374 HydrophobicContact CE1-CB 3.74Å; F365-L374 HydrophobicContact CE2-CB 4.38Å; F365-L374 HydrophobicContact CG-CB 4.05Å; F365-L374 HydrophobicContact CG-CD2 3.75Å; F365-L374 HydrophobicContact CG-CG 4.32Å; F365-L374 HydrophobicContact CZ-CB 4.09Å; L374-V376 HydrophobicContact CD1-CG2 4.04Å; L374-V376 HydrophobicContact CD2-CG2 4.09Å; L374-V376 HydrophobicContact CG-CG2 4.05Å
375	K	98.5	Very high	96.6	Very high	119 Å²	119	55.1 Å²	55.1	52%	0.517	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	128.2	162.6	177.9	-178.2	175	-171.2	0	109.4	E219 T377	E219-K375 HydrophobicContact CB-CB 4.25Å; E219-K375 PolarHBondContact N-O 2.89Å; E219-K375 PolarHBondContact O-N 3.04Å; K375-T377 HydrophobicContact CD-CG2 4.45Å; K375-T377 HydrophobicContact CG-CG2 4.19Å
376	V	98.3	Very high	96.6	Very high	18 Å²	18	56.8 Å²	56.8	11%	0.109	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	130.2	175.5	-171.5	0	0	0	0	108.6	F217 V218 V358 V361 L374	F217-V376 WeakPolarHBondContact O-CA 3.49Å; V218-V376 HydrophobicContact CG2-CG1 4.45Å; V358-V376 HydrophobicContact CG2-CB 4.25Å; V358-V376 HydrophobicContact CG2-CG1 3.97Å; V361-V376 HydrophobicContact CB-CG2 4.09Å; V361-V376 HydrophobicContact CG1-CG2 3.59Å; L374-V376 HydrophobicContact CD1-CG2 4.04Å; L374-V376 HydrophobicContact CD2-CG2 4.09Å; L374-V376 HydrophobicContact CG-CG2 4.05Å
377	T	97.1	Very high	96.5	Very high	54 Å²	54	53.8 Å²	53.8	33%	0.331	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	144.5	178.4	50.6	0	0	0	0	111.2	F216 F217 K375	F216-T377 WeakPolarHBondContact CA-O 3.3Å; F217-T377 PolarHBondContact N-O 2.78Å; F217-T377 PolarHBondContact O-N 3.38Å; K375-T377 HydrophobicContact CD-CG2 4.45Å; K375-T377 HydrophobicContact CG-CG2 4.19Å
378	M	96	Very high	96.5	Very high	41 Å²	41	52.7 Å²	52.7	20%	0.202	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	136.3	166.5	-166	177.1	64.7	0	0	110.3	C214 Y215 F216 E354	C214-M378 HydrophobicContact CB-CG 4.47Å; C214-M378 HydrophobicContact CB-SD 3.77Å; C214-M378 VanDerWaalsContact SG-SD 3.6Å; Y215-M378 CarbonylContact O-C 3.59Å; Y215-M378 WeakPolarHBondContact O-CA 3.44Å; Y215-M378 WeakPolarHBondContact O-CG 3.29Å; F216-M378 HydrophobicContact CD1-CB 4.01Å; F216-M378 HydrophobicContact CD1-CG 4.22Å; F216-M378 HydrophobicContact CE1-CB 3.78Å; F216-M378 HydrophobicContact CE1-CG 3.87Å; F216-M378 HydrophobicContact CE1-SD 4.19Å; F216-M378 HydrophobicContact CZ-CG 4.13Å; F216-M378 HydrophobicContact CZ-SD 4.01Å; E354-M378 HydrophobicContact CB-CE 4.18Å; E354-M378 HydrophobicContact CB-SD 3.9Å; E354-M378 HydrophobicContact CG-CB 4.05Å; E354-M378 HydrophobicContact CG-CE 4.48Å; E354-M378 HydrophobicContact CG-SD 4.38Å; E354-M378 VanDerWaalsContact OE1-CB 3.28Å; E354-M378 WeakPolarHBondContact OE1-CB 3.3Å
379	G	89.6	Confident	96.4	Very high	38 Å²	38	51.8 Å²	51.8	39%	0.392	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	-111.7	165.3	0	0	0	0	0	110.1	Y215 G381	Y215-G379 PolarHBondContact O-N 3.37Å; G379-G381 PolarHBondContact O-N 2.98Å
380	H	83.4	Confident	96.3	Very high	79 Å²	79	54.4 Å²	54.4	37%	0.366	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	134.5	178.8	-55.8	167	0	0	0	111.3	S168 G169 C214 Y215	S168-H380 PolarHBondContact O-CE1 2.67Å; S168-H380 PolarHBondContact O-NE2 3.47Å; S168-H380 VanDerWaalsContact O-NE2 3.16Å; G169-H380 WeakPolarHBondContact CA-CE1 3.21Å; G169-H380 PolarHBondContact N-CE1 2.95Å; C214-H380 CarbonylContact C-O 3.51Å; C214-H380 VanDerWaalsContact CA-O 3.31Å; C214-H380 WeakPolarHBondContact CA-O 3.48Å; Y215-H380 PolarHBondContact N-O 3.11Å
381	G	92.3	Very high	96.3	Very high	42 Å²	42	56.5 Å²	56.5	43%	0.433	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	97.2	177.9	0	0	0	0	0	110.7	I213 G379	I213-G381 CarbonylContact O-C 3.56Å; I213-G381 VanDerWaalsContact O-CA 3.27Å; I213-G381 WeakPolarHBondContact O-CA 3.38Å; G379-G381 PolarHBondContact O-N 2.98Å
382	A	94.1	Very high	96.3	Very high	15 Å²	15	55.2 Å²	55.2	12%	0.124	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	142.6	-178.9	0	0	0	0	0	111.4	G212 I213 P419	G212-A382 CarbonylContact C-O 3.46Å; G212-A382 WeakPolarHBondContact CA-O 3.38Å; I213-A382 HydrophobicContact CG2-CB 4.21Å; I213-A382 PolarHBondContact N-O 2.85Å; I213-A382 PolarHBondContact O-N 3.49Å; A382-P419 HydrophobicContact CB-CB 3.81Å; A382-P419 HydrophobicContact CB-CG 3.93Å
383	K	96.9	Very high	96.3	Very high	98 Å²	98	54.4 Å²	54.4	43%	0.426	30%	0.298	S	S	.	.			trans	-74.6	158.8	176.4	-71.9	-180	177.5	-178.6	0	111.2	G212 P350 L422	G212-K383 VanDerWaalsContact CA-C 3.48Å; G212-K383 WeakPolarHBondContact CA-O 3.49Å; P350-K383 HydrophobicContact CG-CG 3.97Å; K383-L422 HydrophobicContact CB-CD2 3.56Å; K383-L422 HydrophobicContact CD-CD2 3.77Å; K383-L422 HydrophobicContact CG-CD2 4.26Å
384	A	97.9	Very high	96.3	Very high	17 Å²	17	48 Å²	48	14%	0.14	27%	0.271	C	S	.	.			trans	-70.4	151.9	167.6	0	0	0	0	0	110.7
385	W	98.5	Very high	96.3	Very high	1 Å²	1	50.2 Å²	50.2	0%	0.004	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	138.1	176.8	164.4	78.3	0	0	0	110.1	Y208 G209 L210 T421 L422 V432 L434	Y208-W385 VanDerWaalsContact C-CZ3 3.46Å; G209-W385 CarbonylContact C-O 3.5Å; G209-W385 WeakPolarHBondContact CA-O 3.41Å; L210-W385 HydrophobicContact CB-CE3 4.06Å; L210-W385 HydrophobicContact CD1-CE3 4.07Å; L210-W385 HydrophobicContact CD1-CZ3 4.42Å; L210-W385 HydrophobicContact CG-CE3 3.92Å; L210-W385 HydrophobicContact CG-CZ3 4.2Å; L210-W385 PolarHBondContact N-O 2.96Å; L210-W385 PolarHBondContact O-N 2.91Å; W385-T421 WeakPolarHBondContact CB-OG1 3.49Å; W385-T421 HydrophobicContact CD2-CG2 4.35Å; W385-T421 HydrophobicContact CE3-CG2 4.33Å; W385-L422 HydrophobicContact CB-CB 4.44Å; W385-V432 HydrophobicContact CZ2-CB 3.82Å; W385-V432 HydrophobicContact CZ2-CG1 3.9Å; W385-V432 WeakPolarHBondContact CZ2-O 3.27Å; W385-L434 HydrophobicContact CH2-CD1 3.63Å; W385-L434 HydrophobicContact CZ2-CD1 4.37Å; W385-L434 HydrophobicContact CZ3-CD1 3.78Å; W385-L434 HydrophobicContact CZ3-CD2 4.29Å
386	V	98.1	Very high	96.3	Very high	58 Å²	58	44.6 Å²	44.6	35%	0.352	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	133.3	170.5	-177.4	0	0	0	0	107.9	Y208 P346 Q425	Y208-V386 HydrophobicContact CD2-CG1 4.1Å; Y208-V386 HydrophobicContact CE2-CG1 4.25Å; Y208-V386 CarbonylContact O-C 3.58Å; Y208-V386 WeakPolarHBondContact O-CA 3.47Å; P346-V386 HydrophobicContact CG-CG2 3.6Å; V386-Q425 PolarHBondContact O-NE2 3.01Å
387	S	98.2	Very high	96.3	Very high	7 Å²	7	43.8 Å²	43.8	5%	0.049	25%	0.252	C	S	.	.			trans	-111.3	153.5	178.4	178.5	0	0	0	0	111.2	Y208 F389 Y394 N431 V432	Y208-S387 PolarHBondContact O-N 3.2Å; S387-F389 PolarHBondContact O-N 2.87Å; S387-F389 VanDerWaalsContact O-N 3.13Å; S387-Y394 WeakPolarHBondContact CB-OH 3.17Å; S387-Y394 WeakPolarHBondContact OG-CE2 3.22Å; S387-Y394 PolarHBondContact OG-OH 3.04Å; S387-N431 PolarHBondContact OG-ND2 3.07Å; S387-N431 VanDerWaalsContact OG-ND2 3.1Å; S387-V432 WeakPolarHBondContact CB-O 3.17Å; S387-V432 PolarHBondContact OG-O 2.92Å
388	D	97.5	Very high	96.4	Very high	86 Å²	86	44.2 Å²	44.2	46%	0.46	25%	0.247	S	C	.	.			trans	-74.3	100.5	172.9	177.8	19.5	0	0	0	110.1	N390 H391 N431	D388-N390 PolarHBondContact O-N 3.47Å; D388-N390 WeakPolarHBondContact OD1-CB 3.44Å; D388-N390 PolarHBondContact OD1-N 3.18Å; D388-N390 PolarHBondContact OD1-ND2 2.82Å; D388-N390 VanDerWaalsContact OD1-ND2 3.14Å; D388-H391 VanDerWaalsContact O-CB 3.23Å; D388-H391 WeakPolarHBondContact O-CB 3.47Å; D388-H391 PolarHBondContact O-N 2.96Å; D388-N431 PolarHBondContact O-ND2 3.21Å
389	F	96.5	Very high	96.5	Very high	44 Å²	44	47.1 Å²	47.1	19%	0.193	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-3.2	179	61.7	-105.5	0	0	0	114.1	Y208 L276 S387 Y394 L411	Y208-F389 HydrophobicContact CD1-CD1 4.14Å; Y208-F389 AromaticContact CD2-CD1 3.53Å; Y208-F389 HydrophobicContact CD2-CD1 3.53Å; Y208-F389 HydrophobicContact CD2-CE1 4.2Å; Y208-F389 HydrophobicContact CE1-CD1 4.27Å; Y208-F389 AromaticContact CE2-CD1 3.7Å; Y208-F389 HydrophobicContact CE2-CD1 3.7Å; Y208-F389 AromaticContact CE2-CE1 3.89Å; Y208-F389 HydrophobicContact CE2-CE1 3.89Å; Y208-F389 HydrophobicContact CG-CB 4.15Å; Y208-F389 AromaticContact CG-CD1 3.77Å; Y208-F389 HydrophobicContact CG-CD1 3.77Å; Y208-F389 HydrophobicContact CG-CG 4.38Å; L276-F389 HydrophobicContact CD1-CE1 4.33Å; L276-F389 HydrophobicContact CD1-CZ 4.18Å; S387-F389 PolarHBondContact O-N 2.87Å; S387-F389 VanDerWaalsContact O-N 3.13Å; F389-Y394 HydrophobicContact CB-CD1 3.91Å; F389-Y394 HydrophobicContact CB-CE1 4.04Å; F389-Y394 HydrophobicContact CB-CG 4.2Å; F389-Y394 WeakPolarHBondContact O-CB 3.4Å; F389-L411 HydrophobicContact CB-CD1 3.73Å; F389-L411 HydrophobicContact CB-CD2 4.43Å; F389-L411 HydrophobicContact CD1-CD1 4.44Å; F389-L411 HydrophobicContact CD2-CD1 3.35Å; F389-L411 HydrophobicContact CE2-CD1 4.06Å; F389-L411 HydrophobicContact CG-CD1 3.59Å
390	N	97.1	Very high	97	Very high	118 Å²	118	45.3 Å²	45.3	63%	0.631	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-8.9	171.3	-55.2	-67.9	0	0	0	112.4	D388	D388-N390 PolarHBondContact O-N 3.47Å; D388-N390 WeakPolarHBondContact OD1-CB 3.44Å; D388-N390 PolarHBondContact OD1-N 3.18Å; D388-N390 PolarHBondContact OD1-ND2 2.82Å; D388-N390 VanDerWaalsContact OD1-ND2 3.14Å
391	H	98.5	Very high	97.7	Very high	62 Å²	62	41.5 Å²	41.5	29%	0.287	22%	0.223	S	C	.	.	S	Bend	trans	-60.6	143.2	178.2	-169	-95.9	0	0	0	111.4	Y190 D388 H393 Y394 N431	Y190-H391 AromaticContact CE1-CE1 3.81Å; D388-H391 VanDerWaalsContact O-CB 3.23Å; D388-H391 WeakPolarHBondContact O-CB 3.47Å; D388-H391 PolarHBondContact O-N 2.96Å; H391-H393 VanDerWaalsContact ND1-CB 3.25Å; H391-H393 WeakPolarHBondContact ND1-CB 3.34Å; H391-H393 PolarHBondContact ND1-N 3.47Å; H391-H393 PolarHBondContact O-N 3.47Å; H391-Y394 PolarHBondContact O-N 2.91Å; H391-N431 HydrophobicContact CB-CB 4.43Å; H391-N431 WeakPolarHBondContact CB-ND2 3.42Å; H391-N431 WeakPolarHBondContact ND1-CB 3.32Å
392	P	98.5	Very high	98	Very high	68 Å²	68	44.3 Å²	44.3	44%	0.442	22%	0.223	S	C	.	.	H	α-helix	trans	-53.3	-27.9	-179.3	-29.3	35.9	0	0	0	114.8	Y394 M395 A396 L473	P392-Y394 VanDerWaalsContact C-N 3.3Å; P392-Y394 PolarHBondContact O-N 3.27Å; P392-M395 WeakPolarHBondContact O-CB 3.3Å; P392-M395 PolarHBondContact O-N 2.91Å; P392-A396 PolarHBondContact O-N 3.1Å; P392-L473 HydrophobicContact CB-CD2 4.22Å
393	H	98.8	Very high	98.2	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-55.8	-41.2	174.1	-172.5	-151.3	0	0	0	113.3	Y190 V191 H391 M395 A396 G397 N431 Y466	Y190-H393 HydrophobicContact CD1-CB 3.59Å; Y190-H393 AromaticContact CD1-CD2 3.62Å; Y190-H393 AromaticContact CD1-CG 3.42Å; Y190-H393 VanDerWaalsContact CD1-CG 3.42Å; Y190-H393 AromaticContact CD1-ND1 3.87Å; Y190-H393 HydrophobicContact CE1-CB 3.73Å; Y190-H393 AromaticContact CG-CD2 3.84Å; V191-H393 PolarHBondContact O-CE1 2.61Å; H391-H393 VanDerWaalsContact ND1-CB 3.25Å; H391-H393 WeakPolarHBondContact ND1-CB 3.34Å; H391-H393 PolarHBondContact ND1-N 3.47Å; H391-H393 PolarHBondContact O-N 3.47Å; H393-M395 VanDerWaalsContact C-N 3.26Å; H393-M395 PolarHBondContact O-N 3.41Å; H393-A396 WeakPolarHBondContact O-CB 3.21Å; H393-A396 PolarHBondContact O-N 2.9Å; H393-A396 VanDerWaalsContact O-N 3.16Å; H393-G397 PolarHBondContact O-N 3.26Å; H393-N431 HydrophobicContact CB-CB 4.27Å; H393-N431 VanDerWaalsContact CB-OD1 3.3Å; H393-N431 WeakPolarHBondContact CB-OD1 3.28Å; H393-N431 PolarHBondContact ND1-O 3.43Å; H393-N431 PolarHBondContact ND1-OD1 3.25Å; H393-Y466 AromaticContact CD2-CE2 3.94Å; H393-Y466 AromaticContact NE2-CE2 3.51Å; H393-Y466 AromaticContact NE2-CZ 3.51Å; H393-Y466 PolarHBondContact NE2-OH 2.92Å
394	Y	98.7	Very high	98.3	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-68	-27.3	176.4	-83.3	-100.2	0	0	0	112.4	I206 T207 Y208 S387 F389 H391 P392 A396 G397 R398 L411 N431 V432 M433	I206-Y394 HydrophobicContact CG2-CD1 3.66Å; I206-Y394 HydrophobicContact CG2-CE1 3.63Å; T207-Y394 PolarHBondContact O-OH 2.78Å; Y208-Y394 VanDerWaalsContact CA-OH 3.3Å; Y208-Y394 WeakPolarHBondContact CA-OH 3.39Å; Y208-Y394 WeakPolarHBondContact CB-OH 3.15Å; S387-Y394 WeakPolarHBondContact CB-OH 3.17Å; S387-Y394 WeakPolarHBondContact OG-CE2 3.22Å; S387-Y394 PolarHBondContact OG-OH 3.04Å; F389-Y394 HydrophobicContact CB-CD1 3.91Å; F389-Y394 HydrophobicContact CB-CE1 4.04Å; F389-Y394 HydrophobicContact CB-CG 4.2Å; F389-Y394 WeakPolarHBondContact O-CB 3.4Å; H391-Y394 PolarHBondContact O-N 2.91Å; P392-Y394 VanDerWaalsContact C-N 3.3Å; P392-Y394 PolarHBondContact O-N 3.27Å; Y394-A396 VanDerWaalsContact C-N 3.34Å; Y394-G397 PolarHBondContact O-N 3.04Å; Y394-R398 WeakPolarHBondContact O-CB 3.5Å; Y394-R398 VanDerWaalsContact O-CG 3.26Å; Y394-R398 WeakPolarHBondContact O-CG 3.26Å; Y394-R398 PolarHBondContact O-N 2.93Å; Y394-L411 HydrophobicContact CD1-CD2 4.04Å; Y394-N431 WeakPolarHBondContact CD2-OD1 3.5Å; Y394-N431 VanDerWaalsContact CE2-OD1 3.32Å; Y394-N431 WeakPolarHBondContact CE2-OD1 3.46Å; Y394-V432 PolarHBondContact OH-O 2.94Å; Y394-V432 VanDerWaalsContact OH-O 3.04Å; Y394-M433 HydrophobicContact CD1-CG 4.2Å; Y394-M433 HydrophobicContact CD1-SD 4.05Å; Y394-M433 HydrophobicContact CE1-CB 4.46Å; Y394-M433 HydrophobicContact CE1-CG 3.88Å; Y394-M433 HydrophobicContact CE1-SD 4.35Å; Y394-M433 HydrophobicContact CE2-CB 4.08Å; Y394-M433 HydrophobicContact CE2-CG 4.32Å; Y394-M433 HydrophobicContact CG-SD 4.13Å
395	M	98.3	Very high	98.3	Very high	90 Å²	90	44.3 Å²	44.3	44%	0.443	22%	0.223	S	C	.	.	H	α-helix	trans	-68.5	-35	173.6	-61.7	-55.2	-59.8	0	0	111.7	P392 H393 R398 K399	P392-M395 WeakPolarHBondContact O-CB 3.3Å; P392-M395 PolarHBondContact O-N 2.91Å; H393-M395 VanDerWaalsContact C-N 3.26Å; H393-M395 PolarHBondContact O-N 3.41Å; M395-R398 PolarHBondContact O-N 3.22Å; M395-K399 WeakPolarHBondContact O-CG 3.45Å; M395-K399 PolarHBondContact O-N 2.89Å
396	A	98.7	Very high	98.2	Very high	1 Å²	1	47 Å²	47	1%	0.008	25%	0.252	C	S	.	.	H	α-helix	trans	-63.6	-46.3	172.9	0	0	0	0	0	111.4	P392 H393 Y394 R398 K399 A400 E469 V470 L473	P392-A396 PolarHBondContact O-N 3.1Å; H393-A396 WeakPolarHBondContact O-CB 3.21Å; H393-A396 PolarHBondContact O-N 2.9Å; H393-A396 VanDerWaalsContact O-N 3.16Å; Y394-A396 VanDerWaalsContact C-N 3.34Å; A396-R398 PolarHBondContact O-N 3.4Å; A396-K399 PolarHBondContact O-N 3.16Å; A396-A400 WeakPolarHBondContact O-CB 3.48Å; A396-A400 PolarHBondContact O-N 3.49Å; A396-E469 HydrophobicContact CB-CB 3.68Å; A396-V470 HydrophobicContact CB-CG2 4.04Å; A396-L473 HydrophobicContact CB-CD1 4Å; A396-L473 HydrophobicContact CB-CD2 4.35Å; A396-L473 HydrophobicContact CB-CG 4.32Å
397	G	98.6	Very high	98.2	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-57.9	-46.3	173.7	0	0	0	0	0	112.8	H393 Y394 K399 A400 M401	H393-G397 PolarHBondContact O-N 3.26Å; Y394-G397 PolarHBondContact O-N 3.04Å; G397-K399 PolarHBondContact O-N 3.06Å; G397-A400 PolarHBondContact O-N 3.45Å; G397-M401 WeakPolarHBondContact O-CB 3.44Å; G397-M401 WeakPolarHBondContact O-CG 3.45Å; G397-M401 PolarHBondContact O-N 3.22Å
398	R	98.6	Very high	98.2	Very high	64 Å²	64	51 Å²	51	24%	0.242	27%	0.27	C	S	.	.	H	α-helix	trans	-58.8	-46.9	178.2	-75.8	168.9	171.4	-95.2	9.1	112.3	I206 Y394 M395 A396 K402 P409	I206-R398 HydrophobicContact CD1-CB 4.29Å; I206-R398 HydrophobicContact CD1-CG 3.73Å; I206-R398 VanDerWaalsContact CD1-N 3.29Å; Y394-R398 WeakPolarHBondContact O-CB 3.5Å; Y394-R398 VanDerWaalsContact O-CG 3.26Å; Y394-R398 WeakPolarHBondContact O-CG 3.26Å; Y394-R398 PolarHBondContact O-N 2.93Å; M395-R398 PolarHBondContact O-N 3.22Å; A396-R398 PolarHBondContact O-N 3.4Å; R398-K402 WeakPolarHBondContact O-CB 3.36Å; R398-K402 PolarHBondContact O-N 2.84Å; R398-P409 HydrophobicContact CB-CG 4.36Å; R398-P409 HydrophobicContact CG-CG 4.07Å
399	K	98.6	Very high	98.2	Very high	101 Å²	101	47.1 Å²	47.1	44%	0.439	25%	0.249	S	C	.	.	H	α-helix	trans	-65.5	-40.3	178.6	-72.5	177.3	-176.5	176.7	0	112.1	M395 A396 G397 K402 T403 E469	M395-K399 WeakPolarHBondContact O-CG 3.45Å; M395-K399 PolarHBondContact O-N 2.89Å; A396-K399 PolarHBondContact O-N 3.16Å; G397-K399 PolarHBondContact O-N 3.06Å; K399-K402 PolarHBondContact O-N 3.37Å; K399-T403 WeakPolarHBondContact O-CB 3.26Å; K399-T403 PolarHBondContact O-N 3.35Å; K399-T403 PolarHBondContact O-OG1 3.01Å; K399-E469 HydrophobicContact CB-CG 3.83Å; K399-E469 WeakPolarHBondContact CD-OE2 3.21Å; K399-E469 IonicContact NZ-OE2 2.88Å
400	A	98.7	Very high	98.3	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-62.5	-49.7	176.5	0	0	0	0	0	111.7	A396 G397 K402 T403 V404 A465 E469	A396-A400 WeakPolarHBondContact O-CB 3.48Å; A396-A400 PolarHBondContact O-N 3.49Å; G397-A400 PolarHBondContact O-N 3.45Å; A400-K402 PolarHBondContact O-N 2.99Å; A400-T403 WeakPolarHBondContact O-CB 3.27Å; A400-T403 PolarHBondContact O-N 3.03Å; A400-V404 PolarHBondContact O-N 2.81Å; A400-A465 HydrophobicContact CB-CB 4Å; A400-E469 HydrophobicContact CB-CG 4.35Å
401	M	98.3	Very high	98.3	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-57.2	-48.6	175.1	-73.4	-72.1	-177.1	0	0	111.4	P204 C205 I206 G397 T403 V404 F405 P409 L435 M462	P204-M401 HydrophobicContact CB-SD 3.63Å; P204-M401 HydrophobicContact CG-CB 4.47Å; P204-M401 HydrophobicContact CG-SD 4.37Å; C205-M401 WeakPolarHBondContact O-CE 3.3Å; I206-M401 HydrophobicContact CD1-CG 4.24Å; I206-M401 HydrophobicContact CG1-CG 4.13Å; G397-M401 WeakPolarHBondContact O-CB 3.44Å; G397-M401 WeakPolarHBondContact O-CG 3.45Å; G397-M401 PolarHBondContact O-N 3.22Å; M401-T403 VanDerWaalsContact C-N 3.31Å; M401-T403 PolarHBondContact O-N 3.27Å; M401-V404 PolarHBondContact O-N 3.21Å; M401-F405 HydrophobicContact CB-CD2 4.46Å; M401-F405 WeakPolarHBondContact O-CB 3.26Å; M401-F405 VanDerWaalsContact O-CD2 3.29Å; M401-F405 WeakPolarHBondContact O-CD2 3.33Å; M401-F405 PolarHBondContact O-N 2.94Å; M401-F405 HydrophobicContact SD-CD2 3.8Å; M401-F405 HydrophobicContact SD-CE2 3.57Å; M401-F405 VanDerWaalsContact SD-CE2 3.57Å; M401-P409 HydrophobicContact CB-CB 4.05Å; M401-P409 HydrophobicContact CB-CG 3.81Å; M401-P409 HydrophobicContact CG-CB 4.25Å; M401-P409 HydrophobicContact CG-CG 4.23Å; M401-L435 HydrophobicContact CE-CB 4.25Å; M401-L435 HydrophobicContact CE-CD2 3.97Å; M401-M462 HydrophobicContact CE-CE 3.77Å; M401-M462 HydrophobicContact CE-CG 3.86Å; M401-M462 HydrophobicContact CE-SD 3.76Å; M401-M462 HydrophobicContact CG-CG 4.34Å; M401-M462 HydrophobicContact SD-CG 3.63Å; M401-M462 HydrophobicContact SD-SD 4.33Å
402	K	98.4	Very high	98.3	Very high	100 Å²	100	38.5 Å²	38.5	44%	0.435	21%	0.207	S	C	.	.	H	α-helix	trans	-62.1	-37.8	178.2	-172.8	-179.6	-168.7	166	0	112.9	R398 K399 A400 V404 G406 V407 E408	R398-K402 WeakPolarHBondContact O-CB 3.36Å; R398-K402 PolarHBondContact O-N 2.84Å; K399-K402 PolarHBondContact O-N 3.37Å; A400-K402 PolarHBondContact O-N 2.99Å; K402-V404 VanDerWaalsContact C-N 3.29Å; K402-V404 PolarHBondContact O-N 2.91Å; K402-G406 WeakPolarHBondContact O-CA 3.46Å; K402-G406 PolarHBondContact O-N 3.31Å; K402-V407 WeakPolarHBondContact CA-O 3.22Å; K402-E408 VanDerWaalsContact CD-OE1 3.25Å; K402-E408 WeakPolarHBondContact CD-OE1 3.26Å; K402-E408 VanDerWaalsContact CE-OE1 3.27Å; K402-E408 WeakPolarHBondContact CE-OE1 3.38Å; K402-E408 IonicContact NZ-OE1 2.76Å; K402-E408 PolarHBondContact NZ-OE1 2.7Å
403	T	98.5	Very high	98.3	Very high	55 Å²	55	35.8 Å²	35.8	34%	0.337	19%	0.188	S	C	.	.	H	α-helix	trans	-63	-37.3	178.9	-63.5	0	0	0	0	111.8	L4 F8 K399 A400 M401	L4-T403 HydrophobicContact CD1-CG2 4.2Å; F8-T403 HydrophobicContact CE2-CG2 4.07Å; F8-T403 HydrophobicContact CZ-CG2 4.07Å; K399-T403 WeakPolarHBondContact O-CB 3.26Å; K399-T403 PolarHBondContact O-N 3.35Å; K399-T403 PolarHBondContact O-OG1 3.01Å; A400-T403 WeakPolarHBondContact O-CB 3.27Å; A400-T403 PolarHBondContact O-N 3.03Å; M401-T403 VanDerWaalsContact C-N 3.31Å; M401-T403 PolarHBondContact O-N 3.27Å
404	V	98.5	Very high	98.3	Very high	23 Å²	23	36.8 Å²	36.8	14%	0.139	19%	0.193	C	C	.	.	H	α-helix	trans	-89.3	-44.8	-176.8	175.9	0	0	0	0	112.3	F8 A400 M401 K402 Q458 K461 M462 A465	F8-V404 HydrophobicContact CE1-CG2 4.3Å; F8-V404 HydrophobicContact CE2-CG2 4.28Å; F8-V404 HydrophobicContact CZ-CG2 3.72Å; A400-V404 PolarHBondContact O-N 2.81Å; M401-V404 PolarHBondContact O-N 3.21Å; K402-V404 VanDerWaalsContact C-N 3.29Å; K402-V404 PolarHBondContact O-N 2.91Å; V404-Q458 HydrophobicContact CG1-CB 3.99Å; V404-K461 HydrophobicContact CG1-CB 4.18Å; V404-K461 HydrophobicContact CG2-CB 3.98Å; V404-M462 HydrophobicContact CB-CB 4.46Å; V404-M462 HydrophobicContact CG1-CB 4.49Å; V404-M462 HydrophobicContact CG2-CB 4.22Å; V404-A465 HydrophobicContact CG2-CB 4.32Å
405	F	98.2	Very high	98.2	Very high	52 Å²	52	37.8 Å²	37.8	23%	0.228	20%	0.203	C	C	.	.	H	α-helix	trans	-98.9	-8	-172.5	-58.8	-71.4	0	0	0	113.8	W198 P204 M401 V407 Q458 M462	W198-F405 AromaticContact CH2-CD1 3.7Å; W198-F405 HydrophobicContact CH2-CD1 3.7Å; W198-F405 AromaticContact CH2-CE1 3.54Å; W198-F405 HydrophobicContact CH2-CE1 3.54Å; W198-F405 HydrophobicContact CH2-CG 4.32Å; W198-F405 HydrophobicContact CH2-CZ 4.05Å; W198-F405 HydrophobicContact CZ2-CD1 4.03Å; W198-F405 HydrophobicContact CZ2-CD2 4.37Å; W198-F405 AromaticContact CZ2-CE1 3.57Å; W198-F405 HydrophobicContact CZ2-CE1 3.57Å; W198-F405 AromaticContact CZ2-CE2 3.97Å; W198-F405 HydrophobicContact CZ2-CE2 3.97Å; W198-F405 HydrophobicContact CZ2-CG 4.42Å; W198-F405 AromaticContact CZ2-CZ 3.55Å; W198-F405 HydrophobicContact CZ2-CZ 3.55Å; P204-F405 HydrophobicContact CB-CD2 3.88Å; P204-F405 HydrophobicContact CB-CE2 4.28Å; P204-F405 HydrophobicContact CB-CG 4.3Å; P204-F405 HydrophobicContact CG-CB 3.9Å; P204-F405 HydrophobicContact CG-CD2 3.85Å; P204-F405 HydrophobicContact CG-CG 4Å; M401-F405 HydrophobicContact CB-CD2 4.46Å; M401-F405 WeakPolarHBondContact O-CB 3.26Å; M401-F405 VanDerWaalsContact O-CD2 3.29Å; M401-F405 WeakPolarHBondContact O-CD2 3.33Å; M401-F405 PolarHBondContact O-N 2.94Å; M401-F405 HydrophobicContact SD-CD2 3.8Å; M401-F405 HydrophobicContact SD-CE2 3.57Å; M401-F405 VanDerWaalsContact SD-CE2 3.57Å; F405-V407 HydrophobicContact CB-CG2 4.35Å; F405-V407 PolarHBondContact O-N 2.73Å; F405-V407 VanDerWaalsContact O-N 3.16Å; F405-Q458 HydrophobicContact CE1-CB 3.61Å; F405-Q458 HydrophobicContact CE1-CG 4.32Å; F405-Q458 HydrophobicContact CZ-CB 3.86Å; F405-M462 HydrophobicContact CE2-CB 4.06Å; F405-M462 HydrophobicContact CE2-CG 4.08Å; F405-M462 HydrophobicContact CZ-CB 4.5Å
406	G	97.9	Very high	98.1	Very high	59 Å²	59	34.9 Å²	34.9	61%	0.608	20%	0.196	S	C	*	.	S	Bend	trans	73.4	-0.4	176	0	0	0	0	0	115.4	K402	K402-G406 WeakPolarHBondContact O-CA 3.46Å; K402-G406 PolarHBondContact O-N 3.31Å
407	V	97.4	Very high	98.1	Very high	59 Å²	59	35.6 Å²	35.6	36%	0.358	20%	0.201	S	C	.	.	S	Bend	trans	-127.8	155.3	-177.7	-61.4	0	0	0	0	111	P204 K402 F405	P204-V407 HydrophobicContact CG-CG2 4.14Å; K402-V407 WeakPolarHBondContact CA-O 3.22Å; F405-V407 HydrophobicContact CB-CG2 4.35Å; F405-V407 PolarHBondContact O-N 2.73Å; F405-V407 VanDerWaalsContact O-N 3.16Å
408	E	97.3	Very high	98	Very high	90 Å²	90	36 Å²	36	42%	0.421	20%	0.203	S	C	.	.	P	Polyproline II helix	trans	-68	131	171.4	-67.7	-66	156.6	0	0	109.8	K402	K402-E408 VanDerWaalsContact CD-OE1 3.25Å; K402-E408 WeakPolarHBondContact CD-OE1 3.26Å; K402-E408 VanDerWaalsContact CE-OE1 3.27Å; K402-E408 WeakPolarHBondContact CE-OE1 3.38Å; K402-E408 IonicContact NZ-OE1 2.76Å; K402-E408 PolarHBondContact NZ-OE1 2.7Å
409	P	98.1	Very high	97.7	Very high	4 Å²	4	34.3 Å²	34.3	3%	0.026	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-74.2	148.5	175	31.4	-34.9	0	0	0	111.1	P204 I206 R398 M401	P204-P409 HydrophobicContact CB-CB 4.41Å; P204-P409 HydrophobicContact CG-CB 4.12Å; P204-P409 WeakPolarHBondContact O-CA 3.34Å; P204-P409 WeakPolarHBondContact O-CB 3.33Å; I206-P409 HydrophobicContact CD1-CB 4.3Å; I206-P409 HydrophobicContact CD1-CG 3.69Å; I206-P409 HydrophobicContact CG1-CB 4.11Å; I206-P409 HydrophobicContact CG1-CG 4.06Å; R398-P409 HydrophobicContact CB-CG 4.36Å; R398-P409 HydrophobicContact CG-CG 4.07Å; M401-P409 HydrophobicContact CB-CB 4.05Å; M401-P409 HydrophobicContact CB-CG 3.81Å; M401-P409 HydrophobicContact CG-CB 4.25Å; M401-P409 HydrophobicContact CG-CG 4.23Å
410	D	98.3	Very high	97.6	Very high	19 Å²	19	29.5 Å²	29.5	10%	0.102	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	143.9	168.9	-76.6	-16.2	0	0	0	110.1	K203 P204 C205 I206 I280 D281 T412	K203-D410 IonicContact NZ-OD1 3.66Å; P204-D410 PolarHBondContact O-N 3.36Å; C205-D410 CarbonylContact C-O 3.46Å; C205-D410 VanDerWaalsContact CA-O 3.31Å; C205-D410 WeakPolarHBondContact CA-O 3.48Å; I206-D410 PolarHBondContact N-O 3.19Å; I280-D410 HydrophobicContact CD1-CB 3.91Å; D281-D410 WeakPolarHBondContact CB-OD2 3.46Å; D281-D410 PolarHBondContact N-OD2 3.41Å; D410-T412 HydrophobicContact CB-CG2 4.37Å
411	L	98.2	Very high	97.6	Very high	22 Å²	22	29.6 Å²	29.6	12%	0.115	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	116.5	169.7	-73.2	-175.8	0	0	0	109.4	I206 Y208 I280 F389 Y394	I206-L411 HydrophobicContact CB-CD2 4.02Å; I206-L411 HydrophobicContact CG2-CD2 4.32Å; I206-L411 WeakPolarHBondContact O-CA 3.43Å; Y208-L411 HydrophobicContact CD1-CB 4.07Å; Y208-L411 HydrophobicContact CE1-CB 4.16Å; I280-L411 WeakPolarHBondContact CD1-O 3.39Å; F389-L411 HydrophobicContact CB-CD1 3.73Å; F389-L411 HydrophobicContact CB-CD2 4.43Å; F389-L411 HydrophobicContact CD1-CD1 4.44Å; F389-L411 HydrophobicContact CD2-CD1 3.35Å; F389-L411 HydrophobicContact CE2-CD1 4.06Å; F389-L411 HydrophobicContact CG-CD1 3.59Å; Y394-L411 HydrophobicContact CD1-CD2 4.04Å
412	T	98.6	Very high	97.5	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.012	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	153.7	-172.6	49.8	0	0	0	0	111.8	L199 C205 I206 T207 Y208 W309 D410	L199-T412 HydrophobicContact CB-CG2 4.16Å; L199-T412 HydrophobicContact CD2-CG2 4.16Å; C205-T412 HydrophobicContact CB-CG2 3.9Å; C205-T412 WeakPolarHBondContact CB-OG1 3.46Å; I206-T412 PolarHBondContact O-N 3.07Å; I206-T412 PolarHBondContact O-OG1 2.63Å; T207-T412 CarbonylContact C-O 3.45Å; T207-T412 VanDerWaalsContact CA-O 3.24Å; T207-T412 WeakPolarHBondContact CA-O 3.26Å; T207-T412 PolarHBondContact OG1-OG1 3.22Å; Y208-T412 WeakPolarHBondContact CD1-O 3.26Å; Y208-T412 WeakPolarHBondContact CE1-O 3.42Å; Y208-T412 PolarHBondContact N-O 3.33Å; W309-T412 HydrophobicContact CH2-CG2 3.93Å; W309-T412 HydrophobicContact CZ2-CG2 4.06Å; D410-T412 HydrophobicContact CB-CG2 4.37Å
413	R	98.7	Very high	97.5	Very high	10 Å²	10	26.6 Å²	26.6	4%	0.038	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	169	153.7	-75	167.7	63.1	175.1	6.6	107.7	Y208 G209 E273 W309	Y208-R413 HydrophobicContact CD1-CG 4.4Å; Y208-R413 HydrophobicContact CD2-CG 4.27Å; Y208-R413 HydrophobicContact CE1-CG 3.91Å; Y208-R413 HydrophobicContact CE2-CG 3.75Å; G209-R413 CarbonylContact O-C 3.52Å; G209-R413 VanDerWaalsContact O-CA 3.27Å; G209-R413 WeakPolarHBondContact O-CA 3.14Å; E273-R413 IonicContact OE1-NH1 3.02Å; E273-R413 PolarHBondContact OE1-NH1 3.23Å; W309-R413 HydrophobicContact CB-CB 3.68Å; W309-R413 VanDerWaalsContact CD1-O 3.23Å; W309-R413 HydrophobicContact CD2-CB 3.83Å; W309-R413 HydrophobicContact CE3-CB 4.06Å; W309-R413 HydrophobicContact CG-CB 3.64Å; W309-R413 PolarHBondContact NE1-O 3.4Å; W309-R413 VanDerWaalsContact O-CZ 3.27Å; W309-R413 PolarHBondContact O-NE 3.07Å; W309-R413 PolarHBondContact O-NH2 3.21Å
414	E	98.1	Very high	97.5	Very high	22 Å²	22	24 Å²	24	10%	0.103	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	156.9	175.1	-82.2	-161.3	-131	0	0	113.1	N196 Y197 T207 G209 L210 R211	N196-E414 VanDerWaalsContact CB-OE1 3.29Å; N196-E414 WeakPolarHBondContact CB-OE1 3.28Å; N196-E414 PolarHBondContact ND2-OE1 2.85Å; Y197-E414 PolarHBondContact N-OE1 2.98Å; Y197-E414 VanDerWaalsContact O-OE1 3.04Å; T207-E414 HydrophobicContact CG2-CB 4.23Å; T207-E414 HydrophobicContact CG2-CG 4.15Å; T207-E414 PolarHBondContact OG1-OE1 2.74Å; G209-E414 PolarHBondContact O-N 3.24Å; L210-E414 HydrophobicContact CD2-CB 3.73Å; R211-E414 PolarHBondContact N-O 3.25Å
415	G	97.1	Very high	97.5	Very high	21 Å²	21	25.4 Å²	25.4	22%	0.216	16%	0.158	C	C	.	.	S	Bend	trans	-87	-12.7	-176.9	0	0	0	0	0	114.2	R308	R308-G415 WeakPolarHBondContact O-CA 3.45Å
416	G	96.1	Very high	97.5	Very high	28 Å²	28	28.2 Å²	28.2	29%	0.289	17%	0.172	S	C	.	.	S	Bend	trans	-76.2	-175.5	172.6	0	0	0	0	0	112.7	R211	R211-G416 PolarHBondContact N-O 3.17Å
417	S	96.9	Very high	97.5	Very high	17 Å²	17	26 Å²	26	12%	0.119	15%	0.148	C	C	.	.			trans	-141.7	135.5	-180	-59.1	0	0	0	0	108.8	R211 G212 R343	R211-S417 WeakPolarHBondContact O-CA 3.19Å; R211-S417 WeakPolarHBondContact O-CB 3.21Å; R211-S417 PolarHBondContact O-OG 3.38Å; G212-S417 VanDerWaalsContact C-OG 3.28Å; G212-S417 PolarHBondContact O-OG 3.45Å; R343-S417 PolarHBondContact NH1-OG 3.46Å
418	I	97.4	Very high	97.6	Very high	9 Å²	9	24.3 Å²	24.3	5%	0.046	14%	0.138	C	C	.	.			trans	-128.4	94	168.6	-57.5	175	0	0	0	104.7	Y97 I193 D195 L210 V420 T421 L434	Y97-I418 HydrophobicContact CE1-CG2 3.77Å; I193-I418 HydrophobicContact CG2-CD1 4.2Å; D195-I418 HydrophobicContact CB-CD1 3.91Å; D195-I418 WeakPolarHBondContact O-CD1 3.29Å; D195-I418 WeakPolarHBondContact OD2-CD1 3.31Å; L210-I418 HydrophobicContact CD1-CB 3.69Å; L210-I418 HydrophobicContact CD1-CD1 3.96Å; L210-I418 HydrophobicContact CD1-CG1 3.78Å; I418-V420 VanDerWaalsContact C-N 3.25Å; I418-V420 HydrophobicContact CG2-CG1 4.13Å; I418-V420 PolarHBondContact O-N 2.71Å; I418-V420 VanDerWaalsContact O-N 3.15Å; I418-T421 HydrophobicContact CB-CG2 4.12Å; I418-T421 HydrophobicContact CG2-CG2 4.2Å; I418-T421 PolarHBondContact O-N 2.83Å; I418-T421 VanDerWaalsContact O-N 3.15Å; I418-T421 PolarHBondContact O-OG1 3.19Å; I418-L434 HydrophobicContact CD1-CD2 4.05Å
419	P	92.8	Very high	97.6	Very high	27 Å²	27	23 Å²	23	18%	0.175	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-40.7	-166.2	-30.3	36.6	0	0	0	114.1	E166 A382 T421 L422	E166-P419 WeakPolarHBondContact OE1-CD 3.32Å; A382-P419 HydrophobicContact CB-CB 3.81Å; A382-P419 HydrophobicContact CB-CG 3.93Å; P419-T421 PolarHBondContact O-N 2.83Å; P419-T421 VanDerWaalsContact O-N 3.1Å; P419-L422 PolarHBondContact O-N 3.13Å
420	V	95.9	Very high	97.6	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-67.4	-13.6	-173.8	75.6	0	0	0	0	114	Y97 L173 V177 I418 L422 T423 F424	Y97-V420 HydrophobicContact CD1-CG1 3.91Å; Y97-V420 HydrophobicContact CD2-CG1 3.92Å; Y97-V420 HydrophobicContact CE1-CG1 3.59Å; Y97-V420 HydrophobicContact CE2-CG1 3.61Å; Y97-V420 HydrophobicContact CG-CG1 4.06Å; Y97-V420 VanDerWaalsContact CZ-CG1 3.42Å; L173-V420 HydrophobicContact CD2-CB 3.84Å; L173-V420 HydrophobicContact CD2-CG1 4.25Å; L173-V420 HydrophobicContact CD2-CG2 3.6Å; L173-V420 HydrophobicContact CG-CG2 3.87Å; V177-V420 HydrophobicContact CG2-CG2 4.36Å; I418-V420 VanDerWaalsContact C-N 3.25Å; I418-V420 HydrophobicContact CG2-CG1 4.13Å; I418-V420 PolarHBondContact O-N 2.71Å; I418-V420 VanDerWaalsContact O-N 3.15Å; V420-L422 VanDerWaalsContact C-N 3.3Å; V420-L422 PolarHBondContact O-N 3.12Å; V420-T423 HydrophobicContact CG2-CG2 4.41Å; V420-T423 WeakPolarHBondContact O-CB 3.47Å; V420-T423 PolarHBondContact O-N 3.32Å; V420-T423 VanDerWaalsContact O-N 3.13Å; V420-F424 HydrophobicContact CB-CD2 4.29Å; V420-F424 HydrophobicContact CB-CE2 4.15Å; V420-F424 HydrophobicContact CG1-CD2 3.91Å; V420-F424 HydrophobicContact CG1-CE2 3.62Å; V420-F424 HydrophobicContact CG2-CD2 3.68Å; V420-F424 HydrophobicContact CG2-CE2 3.45Å; V420-F424 VanDerWaalsContact CG2-CE2 3.45Å; V420-F424 HydrophobicContact CG2-CG 4.37Å; V420-F424 HydrophobicContact CG2-CZ 3.97Å; V420-F424 VanDerWaalsContact O-CD2 3.31Å; V420-F424 WeakPolarHBondContact O-CD2 3.44Å; V420-F424 PolarHBondContact O-N 3.02Å
421	T	98.1	Very high	97.7	Very high	3 Å²	3	27.7 Å²	27.7	2%	0.018	17%	0.166	C	C	.	.	H	α-helix	trans	-55.6	-45.1	177.1	46.8	0	0	0	0	112.6	I193 L210 W385 I418 P419 Q425 V432 L434	I193-T421 HydrophobicContact CD1-CG2 3.6Å; L210-T421 HydrophobicContact CD1-CG2 3.93Å; W385-T421 WeakPolarHBondContact CB-OG1 3.49Å; W385-T421 HydrophobicContact CD2-CG2 4.35Å; W385-T421 HydrophobicContact CE3-CG2 4.33Å; I418-T421 HydrophobicContact CB-CG2 4.12Å; I418-T421 HydrophobicContact CG2-CG2 4.2Å; I418-T421 PolarHBondContact O-N 2.83Å; I418-T421 VanDerWaalsContact O-N 3.15Å; I418-T421 PolarHBondContact O-OG1 3.19Å; P419-T421 PolarHBondContact O-N 2.83Å; P419-T421 VanDerWaalsContact O-N 3.1Å; T421-Q425 PolarHBondContact O-N 3.34Å; T421-Q425 VanDerWaalsContact O-N 3.16Å; T421-V432 HydrophobicContact CG2-CG1 4.45Å; T421-L434 HydrophobicContact CG2-CD1 3.98Å
422	L	97.4	Very high	97.7	Very high	27 Å²	27	26.7 Å²	26.7	14%	0.141	16%	0.16	C	C	.	.	H	α-helix	trans	-69.1	-41	176.3	-176.2	62.5	0	0	0	111.1	K383 W385 P419 V420 F424 Q425 E426	K383-L422 HydrophobicContact CB-CD2 3.56Å; K383-L422 HydrophobicContact CD-CD2 3.77Å; K383-L422 HydrophobicContact CG-CD2 4.26Å; W385-L422 HydrophobicContact CB-CB 4.44Å; P419-L422 PolarHBondContact O-N 3.13Å; V420-L422 VanDerWaalsContact C-N 3.3Å; V420-L422 PolarHBondContact O-N 3.12Å; L422-F424 PolarHBondContact O-N 3.07Å; L422-Q425 WeakPolarHBondContact O-CB 3.24Å; L422-Q425 PolarHBondContact O-N 3.07Å; L422-Q425 VanDerWaalsContact O-N 3.15Å; L422-E426 HydrophobicContact CD1-CG 4.07Å; L422-E426 HydrophobicContact CG-CG 4.21Å; L422-E426 WeakPolarHBondContact O-CB 3.22Å; L422-E426 WeakPolarHBondContact O-CG 3.44Å; L422-E426 PolarHBondContact O-N 3.26Å
423	T	98.1	Very high	97.7	Very high	9 Å²	9	26.6 Å²	26.6	6%	0.055	16%	0.159	C	C	.	.	H	α-helix	trans	-57.6	-46.9	177.3	-51.8	0	0	0	0	111.5	D174 V177 F178 V420 Q425 E426 A427	D174-T423 HydrophobicContact CB-CG2 4.07Å; D174-T423 VanDerWaalsContact CG-OG1 3.24Å; D174-T423 VanDerWaalsContact OD1-CB 3.32Å; D174-T423 WeakPolarHBondContact OD1-CB 3.22Å; D174-T423 VanDerWaalsContact OD1-CG2 3.29Å; D174-T423 WeakPolarHBondContact OD1-CG2 3.45Å; D174-T423 PolarHBondContact OD1-OG1 3.31Å; V177-T423 HydrophobicContact CB-CG2 3.91Å; V177-T423 HydrophobicContact CG1-CG2 3.86Å; F178-T423 HydrophobicContact CD2-CG2 3.98Å; F178-T423 HydrophobicContact CE2-CG2 3.69Å; F178-T423 HydrophobicContact CZ-CG2 4.47Å; V420-T423 HydrophobicContact CG2-CG2 4.41Å; V420-T423 WeakPolarHBondContact O-CB 3.47Å; V420-T423 PolarHBondContact O-N 3.32Å; V420-T423 VanDerWaalsContact O-N 3.13Å; T423-Q425 PolarHBondContact O-N 3.17Å; T423-E426 PolarHBondContact O-N 3.27Å; T423-A427 WeakPolarHBondContact O-CB 3.33Å; T423-A427 PolarHBondContact O-N 2.79Å
424	F	98.7	Very high	97.7	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-61.7	-44.8	175	-79.4	-54.8	0	0	0	111.9	Y97 C161 V177 F185 V191 V420 L422 E426 T428 V432	Y97-F424 HydrophobicContact CD1-CE2 4.49Å; Y97-F424 AromaticContact CD2-CE2 3.75Å; Y97-F424 HydrophobicContact CD2-CE2 3.75Å; Y97-F424 HydrophobicContact CD2-CZ 4.04Å; Y97-F424 AromaticContact CG-CE2 3.67Å; Y97-F424 HydrophobicContact CG-CE2 3.67Å; Y97-F424 HydrophobicContact CG-CZ 4.26Å; C161-F424 HydrophobicContact CB-CE1 4.5Å; C161-F424 HydrophobicContact CB-CZ 4Å; V177-F424 HydrophobicContact CG1-CD1 4.02Å; V177-F424 HydrophobicContact CG1-CE1 4.15Å; V177-F424 HydrophobicContact CG2-CE1 3.9Å; V177-F424 HydrophobicContact CG2-CZ 4.25Å; F185-F424 HydrophobicContact CD1-CE1 4.47Å; F185-F424 AromaticContact CE1-CE1 3.78Å; F185-F424 HydrophobicContact CE1-CE1 3.78Å; F185-F424 HydrophobicContact CZ-CE1 4.03Å; V191-F424 HydrophobicContact CG1-CB 4.12Å; V191-F424 HydrophobicContact CG1-CD1 4.5Å; V191-F424 HydrophobicContact CG1-CD2 4.06Å; V191-F424 HydrophobicContact CG1-CG 3.99Å; V191-F424 HydrophobicContact CG2-CB 4.26Å; V420-F424 HydrophobicContact CB-CD2 4.29Å; V420-F424 HydrophobicContact CB-CE2 4.15Å; V420-F424 HydrophobicContact CG1-CD2 3.91Å; V420-F424 HydrophobicContact CG1-CE2 3.62Å; V420-F424 HydrophobicContact CG2-CD2 3.68Å; V420-F424 HydrophobicContact CG2-CE2 3.45Å; V420-F424 VanDerWaalsContact CG2-CE2 3.45Å; V420-F424 HydrophobicContact CG2-CG 4.37Å; V420-F424 HydrophobicContact CG2-CZ 3.97Å; V420-F424 VanDerWaalsContact O-CD2 3.31Å; V420-F424 WeakPolarHBondContact O-CD2 3.44Å; V420-F424 PolarHBondContact O-N 3.02Å; L422-F424 PolarHBondContact O-N 3.07Å; F424-E426 PolarHBondContact O-N 2.92Å; F424-T428 WeakPolarHBondContact O-CB 3.42Å; F424-T428 WeakPolarHBondContact O-CG2 3.45Å; F424-T428 PolarHBondContact O-N 3.43Å; F424-T428 PolarHBondContact O-OG1 2.8Å; F424-V432 HydrophobicContact CB-CG2 4.16Å
425	Q	98.5	Very high	97.7	Very high	53 Å²	53	25 Å²	25	25%	0.248	15%	0.153	C	C	.	.	H	α-helix	trans	-60.2	-45.4	178.8	-173.9	165.9	-77.2	0	0	111.7	V386 T421 L422 T423 G429 V432	V386-Q425 PolarHBondContact O-NE2 3.01Å; T421-Q425 PolarHBondContact O-N 3.34Å; T421-Q425 VanDerWaalsContact O-N 3.16Å; L422-Q425 WeakPolarHBondContact O-CB 3.24Å; L422-Q425 PolarHBondContact O-N 3.07Å; L422-Q425 VanDerWaalsContact O-N 3.15Å; T423-Q425 PolarHBondContact O-N 3.17Å; Q425-G429 VanDerWaalsContact O-CA 3.27Å; Q425-G429 WeakPolarHBondContact O-CA 3.39Å; Q425-G429 PolarHBondContact O-N 2.97Å; Q425-V432 HydrophobicContact CB-CG2 3.89Å
426	E	98.3	Very high	97.8	Very high	111 Å²	111	24.1 Å²	24.1	52%	0.519	14%	0.143	S	C	.	.	H	α-helix	trans	-72.4	-44.3	-179.7	-70.6	-178.2	169.5	0	0	112.7	F178 L422 T423 F424	F178-E426 HydrophobicContact CE1-CB 4.35Å; F178-E426 HydrophobicContact CZ-CB 3.99Å; L422-E426 HydrophobicContact CD1-CG 4.07Å; L422-E426 HydrophobicContact CG-CG 4.21Å; L422-E426 WeakPolarHBondContact O-CB 3.22Å; L422-E426 WeakPolarHBondContact O-CG 3.44Å; L422-E426 PolarHBondContact O-N 3.26Å; T423-E426 PolarHBondContact O-N 3.27Å; F424-E426 PolarHBondContact O-N 2.92Å
427	A	98.3	Very high	98	Very high	12 Å²	12	22.9 Å²	22.9	10%	0.099	13%	0.13	C	C	.	.	H	α-helix	trans	-72.9	-41	-175.3	0	0	0	0	0	112.4	V177 F178 K181 T423	V177-A427 HydrophobicContact CG1-CB 3.7Å; F178-A427 HydrophobicContact CD1-CB 3.77Å; F178-A427 HydrophobicContact CE1-CB 3.77Å; F178-A427 HydrophobicContact CG-CB 4.32Å; F178-A427 HydrophobicContact CZ-CB 4.31Å; K181-A427 HydrophobicContact CB-CB 4.22Å; T423-A427 WeakPolarHBondContact O-CB 3.33Å; T423-A427 PolarHBondContact O-N 2.79Å
428	T	98.4	Very high	98	Very high	25 Å²	25	22.1 Å²	22.1	15%	0.153	13%	0.125	C	C	.	.	H	α-helix	trans	-91.7	-22.7	-176.8	71.6	0	0	0	0	112.8	F185 F424 R430	F185-T428 HydrophobicContact CB-CG2 4.27Å; F424-T428 WeakPolarHBondContact O-CB 3.42Å; F424-T428 WeakPolarHBondContact O-CG2 3.45Å; F424-T428 PolarHBondContact O-N 3.43Å; F424-T428 PolarHBondContact O-OG1 2.8Å; T428-R430 PolarHBondContact O-N 2.96Å; T428-R430 WeakPolarHBondContact OG1-CB 3.5Å; T428-R430 PolarHBondContact OG1-N 3.44Å; T428-R430 VanDerWaalsContact OG1-N 3.12Å
429	G	98.3	Very high	98	Very high	63 Å²	63	22 Å²	22	65%	0.649	12%	0.124	S	C	*	.			trans	63.2	16.4	-170	0	0	0	0	0	113.4	Q425	Q425-G429 VanDerWaalsContact O-CA 3.27Å; Q425-G429 WeakPolarHBondContact O-CA 3.39Å; Q425-G429 PolarHBondContact O-N 2.97Å
430	R	98.4	Very high	98.2	Very high	107 Å²	107	22.5 Å²	22.5	40%	0.404	13%	0.129	S	C	.	.	P	Polyproline II helix	trans	-101.8	161.3	-177.5	-56.5	-49.8	-174	-174.2	-0.1	111.8	V188 D189 T428	V188-R430 HydrophobicContact CG1-CG 4.46Å; V188-R430 WeakPolarHBondContact O-CG 3.19Å; V188-R430 PolarHBondContact O-NE 3.37Å; D189-R430 WeakPolarHBondContact O-CB 3.46Å; D189-R430 WeakPolarHBondContact O-CD 3.36Å; T428-R430 PolarHBondContact O-N 2.96Å; T428-R430 WeakPolarHBondContact OG1-CB 3.5Å; T428-R430 PolarHBondContact OG1-N 3.44Å; T428-R430 VanDerWaalsContact OG1-N 3.12Å
431	N	98.7	Very high	98.3	Very high	14 Å²	14	24.6 Å²	24.6	8%	0.075	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	129.2	176.3	-175.8	-96	0	0	0	110.6	V191 S387 D388 H391 H393 Y394	V191-N431 PolarHBondContact N-O 3.02Å; S387-N431 PolarHBondContact OG-ND2 3.07Å; S387-N431 VanDerWaalsContact OG-ND2 3.1Å; D388-N431 PolarHBondContact O-ND2 3.21Å; H391-N431 HydrophobicContact CB-CB 4.43Å; H391-N431 WeakPolarHBondContact CB-ND2 3.42Å; H391-N431 WeakPolarHBondContact ND1-CB 3.32Å; H393-N431 HydrophobicContact CB-CB 4.27Å; H393-N431 VanDerWaalsContact CB-OD1 3.3Å; H393-N431 WeakPolarHBondContact CB-OD1 3.28Å; H393-N431 PolarHBondContact ND1-O 3.43Å; H393-N431 PolarHBondContact ND1-OD1 3.25Å; Y394-N431 WeakPolarHBondContact CD2-OD1 3.5Å; Y394-N431 VanDerWaalsContact CE2-OD1 3.32Å; Y394-N431 WeakPolarHBondContact CE2-OD1 3.46Å
432	V	98.9	Very high	98.3	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	136	174.6	-174.3	0	0	0	0	108.5	V191 I193 W385 S387 Y394 T421 F424 Q425 L434	V191-V432 HydrophobicContact CB-CB 4.39Å; V191-V432 HydrophobicContact CB-CG1 4.33Å; V191-V432 HydrophobicContact CB-CG2 4Å; V191-V432 HydrophobicContact CG1-CG1 4.22Å; V191-V432 HydrophobicContact CG1-CG2 4.41Å; V191-V432 HydrophobicContact CG2-CG2 4.38Å; V191-V432 WeakPolarHBondContact O-CA 3.37Å; I193-V432 HydrophobicContact CD1-CG1 4.32Å; W385-V432 HydrophobicContact CZ2-CB 3.82Å; W385-V432 HydrophobicContact CZ2-CG1 3.9Å; W385-V432 WeakPolarHBondContact CZ2-O 3.27Å; S387-V432 WeakPolarHBondContact CB-O 3.17Å; S387-V432 PolarHBondContact OG-O 2.92Å; Y394-V432 PolarHBondContact OH-O 2.94Å; Y394-V432 VanDerWaalsContact OH-O 3.04Å; T421-V432 HydrophobicContact CG2-CG1 4.45Å; F424-V432 HydrophobicContact CB-CG2 4.16Å; Q425-V432 HydrophobicContact CB-CG2 3.89Å; V432-L434 HydrophobicContact CG1-CD1 4.27Å
433	M	98.9	Very high	98.3	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	141.9	175.4	-179.3	174.6	60.3	0	0	110.8	V191 C192 I193 I206 Y394 L435 Y466	V191-M433 PolarHBondContact O-N 3.46Å; C192-M433 WeakPolarHBondContact CA-O 3.27Å; I193-M433 PolarHBondContact N-O 3.05Å; I206-M433 HydrophobicContact CG2-CG 3.66Å; I206-M433 HydrophobicContact CG2-SD 3.69Å; Y394-M433 HydrophobicContact CD1-CG 4.2Å; Y394-M433 HydrophobicContact CD1-SD 4.05Å; Y394-M433 HydrophobicContact CE1-CB 4.46Å; Y394-M433 HydrophobicContact CE1-CG 3.88Å; Y394-M433 HydrophobicContact CE1-SD 4.35Å; Y394-M433 HydrophobicContact CE2-CB 4.08Å; Y394-M433 HydrophobicContact CE2-CG 4.32Å; Y394-M433 HydrophobicContact CG-SD 4.13Å; M433-L435 HydrophobicContact CE-CD1 3.9Å; M433-L435 HydrophobicContact CE-CD2 3.81Å; M433-L435 HydrophobicContact CE-CG 3.88Å; M433-L435 HydrophobicContact CG-CD2 4.26Å; M433-L435 HydrophobicContact CG-CG 4.45Å; M433-L435 HydrophobicContact SD-CD2 3.9Å; M433-L435 HydrophobicContact SD-CG 4.45Å; M433-Y466 HydrophobicContact CE-CD2 3.81Å; M433-Y466 HydrophobicContact CE-CE2 3.33Å
434	L	98.9	Very high	98.2	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	123.4	174.1	-89.2	65.3	0	0	0	111	I193 N196 T207 L210 W385 I418 T421 V432 P436	I193-L434 HydrophobicContact CB-CD1 3.93Å; I193-L434 HydrophobicContact CB-CG 4.03Å; I193-L434 HydrophobicContact CD1-CD1 4.31Å; I193-L434 HydrophobicContact CG1-CD1 4.49Å; I193-L434 HydrophobicContact CG2-CG 4.33Å; I193-L434 CarbonylContact O-C 3.57Å; I193-L434 VanDerWaalsContact O-CA 3.27Å; I193-L434 WeakPolarHBondContact O-CA 3.44Å; N196-L434 HydrophobicContact CB-CD2 4.3Å; T207-L434 HydrophobicContact CG2-CB 4.28Å; T207-L434 HydrophobicContact CG2-CD2 4.08Å; T207-L434 PolarHBondContact N-O 2.85Å; T207-L434 PolarHBondContact O-N 3.1Å; L210-L434 HydrophobicContact CD1-CD2 3.72Å; L210-L434 HydrophobicContact CD2-CD2 4.31Å; L210-L434 HydrophobicContact CG-CD2 4.1Å; W385-L434 HydrophobicContact CH2-CD1 3.63Å; W385-L434 HydrophobicContact CZ2-CD1 4.37Å; W385-L434 HydrophobicContact CZ3-CD1 3.78Å; W385-L434 HydrophobicContact CZ3-CD2 4.29Å; I418-L434 HydrophobicContact CD1-CD2 4.05Å; T421-L434 HydrophobicContact CG2-CD1 3.98Å; V432-L434 HydrophobicContact CG1-CD1 4.27Å; L434-P436 WeakPolarHBondContact O-CD 3.29Å
435	L	98.9	Very high	98.1	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.178	C	C	.	.			trans	-113	94.6	178.7	-67.2	-178.2	0	0	0	110	I193 S194 I206 M401 M433 V437 M462 Y466	I193-L435 PolarHBondContact O-N 3.46Å; S194-L435 WeakPolarHBondContact CA-O 3.29Å; S194-L435 WeakPolarHBondContact CB-O 3.45Å; S194-L435 PolarHBondContact OG-O 3.38Å; I206-L435 HydrophobicContact CD1-CD2 4.31Å; I206-L435 HydrophobicContact CG1-CD2 3.92Å; I206-L435 HydrophobicContact CG2-CD2 4.19Å; M401-L435 HydrophobicContact CE-CB 4.25Å; M401-L435 HydrophobicContact CE-CD2 3.97Å; M433-L435 HydrophobicContact CE-CD1 3.9Å; M433-L435 HydrophobicContact CE-CD2 3.81Å; M433-L435 HydrophobicContact CE-CG 3.88Å; M433-L435 HydrophobicContact CG-CD2 4.26Å; M433-L435 HydrophobicContact CG-CG 4.45Å; M433-L435 HydrophobicContact SD-CD2 3.9Å; M433-L435 HydrophobicContact SD-CG 4.45Å; L435-V437 PolarHBondContact O-N 3.35Å; L435-M462 HydrophobicContact CB-CE 4.01Å; L435-M462 HydrophobicContact CB-SD 4.04Å; L435-M462 HydrophobicContact CD1-SD 3.83Å; L435-M462 HydrophobicContact CG-SD 4.39Å; L435-Y466 HydrophobicContact CD1-CD1 4.17Å; L435-Y466 HydrophobicContact CD1-CD2 3.72Å; L435-Y466 HydrophobicContact CD1-CE2 4.25Å; L435-Y466 HydrophobicContact CD1-CG 3.67Å
436	P	98.8	Very high	98	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.006	18%	0.183	C	C	.	.			trans	-66.4	130.9	-177	23.8	-32.2	0	0	0	112.6	N196 Y197 W198 C205 L434	N196-P436 WeakPolarHBondContact ND2-CB 3.45Å; N196-P436 VanDerWaalsContact O-CA 3.29Å; N196-P436 WeakPolarHBondContact O-CA 3.43Å; N196-P436 WeakPolarHBondContact O-CB 3.45Å; Y197-P436 VanDerWaalsContact C-CB 3.48Å; W198-P436 PolarHBondContact NE1-O 3.33Å; C205-P436 HydrophobicContact CB-CG 4.01Å; C205-P436 WeakPolarHBondContact O-CD 3.15Å; C205-P436 WeakPolarHBondContact O-CG 3.29Å; L434-P436 WeakPolarHBondContact O-CD 3.29Å
437	V	98.8	Very high	98	Very high	3 Å²	3	29 Å²	29	2%	0.018	18%	0.177	C	C	.	.			trans	-92.4	-40.9	167.7	167.4	0	0	0	0	110.5	P136 S194 L435 L451 N455 M462 L463	P136-V437 HydrophobicContact CB-CB 4.22Å; P136-V437 HydrophobicContact CB-CG2 4.3Å; P136-V437 HydrophobicContact CG-CB 4.08Å; P136-V437 HydrophobicContact CG-CG1 4.37Å; S194-V437 VanDerWaalsContact OG-CG2 3.24Å; S194-V437 WeakPolarHBondContact OG-CG2 3.3Å; L435-V437 PolarHBondContact O-N 3.35Å; V437-L451 HydrophobicContact CG1-CD1 4.17Å; V437-L451 HydrophobicContact CG1-CD2 4.41Å; V437-N455 WeakPolarHBondContact O-CB 3.49Å; V437-N455 PolarHBondContact O-ND2 2.86Å; V437-M462 HydrophobicContact CG2-CE 3.98Å; V437-L463 HydrophobicContact CG2-CD1 4.34Å
438	G	98	Very high	98	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.01	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-68.8	161.8	-175.7	0	0	0	0	0	114.8	W198 D442	W198-G438 PolarHBondContact N-O 2.91Å; G438-D442 WeakPolarHBondContact CA-OD2 3.38Å
439	S	97.7	Very high	98	Very high	6 Å²	6	29.2 Å²	29.2	4%	0.042	18%	0.176	C	C	.	.			trans	-95.9	165.1	174.1	-46.8	0	0	0	0	112.3	D441 D442 N452 N455	S439-D441 PolarHBondContact O-N 3.05Å; S439-D441 VanDerWaalsContact O-N 3.1Å; S439-D442 WeakPolarHBondContact CA-OD1 3.39Å; S439-D442 WeakPolarHBondContact CB-OD1 3.35Å; S439-D442 PolarHBondContact N-OD1 2.83Å; S439-D442 VanDerWaalsContact N-OD1 3.13Å; S439-D442 PolarHBondContact N-OD2 3.18Å; S439-D442 WeakPolarHBondContact O-CB 3.32Å; S439-D442 VanDerWaalsContact O-CG 3.31Å; S439-D442 PolarHBondContact O-N 3.44Å; S439-N452 PolarHBondContact OG-ND2 3.47Å; S439-N455 PolarHBondContact OG-ND2 2.89Å; S439-N455 PolarHBondContact OG-OD1 2.87Å
440	S	96.9	Very high	98.1	Very high	38 Å²	38	26.5 Å²	26.5	27%	0.266	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-17.7	-179	62.6	0	0	0	0	115.2	W198 L199	W198-S440 WeakPolarHBondContact O-CA 3.37Å; W198-S440 WeakPolarHBondContact O-CB 3.13Å; W198-S440 PolarHBondContact O-N 3.08Å; L199-S440 WeakPolarHBondContact O-CB 3.49Å
441	D	97	Very high	98.1	Very high	43 Å²	43	21.4 Å²	21.4	23%	0.23	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.8	25.3	-176.9	72.2	-17.4	0	0	0	112.4	K201 D290 S439 G443 K450	K201-D441 WeakPolarHBondContact CE-OD2 3.19Å; K201-D441 IonicContact NZ-OD2 2.72Å; K201-D441 PolarHBondContact NZ-OD2 2.65Å; D290-D441 HydrophobicContact CB-CB 4.35Å; S439-D441 PolarHBondContact O-N 3.05Å; S439-D441 VanDerWaalsContact O-N 3.1Å; D441-G443 VanDerWaalsContact C-N 3.32Å; D441-K450 VanDerWaalsContact CG-NZ 3.26Å; D441-K450 PolarHBondContact O-NZ 3.16Å; D441-K450 IonicContact OD1-NZ 2.67Å; D441-K450 PolarHBondContact OD1-NZ 3.03Å; D441-K450 IonicContact OD2-NZ 3.37Å
442	D	98.4	Very high	98.1	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.011	13%	0.13	C	C	.	.	S	Bend	trans	-73.5	-22.6	-178.9	-79.7	15	0	0	0	113.4	T131 G438 S439 E449 K450	T131-D442 WeakPolarHBondContact CB-OD2 3.36Å; T131-D442 HydrophobicContact CG2-CB 3.66Å; T131-D442 PolarHBondContact OG1-OD2 2.67Å; G438-D442 WeakPolarHBondContact CA-OD2 3.38Å; S439-D442 WeakPolarHBondContact CA-OD1 3.39Å; S439-D442 WeakPolarHBondContact CB-OD1 3.35Å; S439-D442 PolarHBondContact N-OD1 2.83Å; S439-D442 VanDerWaalsContact N-OD1 3.13Å; S439-D442 PolarHBondContact N-OD2 3.18Å; S439-D442 WeakPolarHBondContact O-CB 3.32Å; S439-D442 VanDerWaalsContact O-CG 3.31Å; S439-D442 PolarHBondContact O-N 3.44Å; D442-E449 CarbonylContact O-C 3.52Å; D442-E449 VanDerWaalsContact O-CA 3.3Å; D442-E449 WeakPolarHBondContact O-CA 3.48Å; D442-K450 WeakPolarHBondContact CA-O 3.41Å; D442-K450 WeakPolarHBondContact CB-O 3.42Å; D442-K450 PolarHBondContact O-N 2.81Å; D442-K450 WeakPolarHBondContact OD1-CE 3.32Å; D442-K450 IonicContact OD1-NZ 2.77Å; D442-K450 PolarHBondContact OD1-NZ 3.26Å
443	G	96.8	Very high	98.1	Very high	32 Å²	32	24.1 Å²	24.1	33%	0.33	14%	0.138	S	C	.	.			trans	71.4	35.7	172.7	0	0	0	0	0	114.3	D441 H445 S446	D441-G443 VanDerWaalsContact C-N 3.32Å; G443-H445 PolarHBondContact O-N 3.46Å; G443-S446 WeakPolarHBondContact O-CA 3.39Å; G443-S446 WeakPolarHBondContact O-CB 3.44Å; G443-S446 PolarHBondContact O-N 2.89Å
444	A	97.3	Very high	98.1	Very high	27 Å²	27	27.5 Å²	27.5	22%	0.223	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.7	138.6	168	0	0	0	0	0	111.1	T131 D132 Y197 S446	T131-A444 HydrophobicContact CG2-CB 4.25Å; D132-A444 HydrophobicContact CB-CB 4.06Å; D132-A444 WeakPolarHBondContact OD2-CB 3.49Å; Y197-A444 HydrophobicContact CE1-CB 3.96Å; Y197-A444 HydrophobicContact CE2-CB 4.2Å; Y197-A444 VanDerWaalsContact CZ-CB 3.45Å; Y197-A444 WeakPolarHBondContact OH-CB 3.46Å; A444-S446 PolarHBondContact O-N 3.11Å
445	H	96.9	Very high	98	Very high	99 Å²	99	28.1 Å²	28.1	46%	0.458	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.2	3.3	-175.8	-56.6	-162.6	0	0	0	115	Q103 D132 E167 G443	Q103-H445 HydrophobicContact CG-CB 4.21Å; Q103-H445 VanDerWaalsContact CG-CD2 3.45Å; Q103-H445 WeakPolarHBondContact CG-CD2 3.44Å; D132-H445 IonicContact OD2-CD2 3.47Å; D132-H445 PolarHBondContact OD2-CD2 3.33Å; D132-H445 IonicContact OD2-NE2 2.86Å; D132-H445 PolarHBondContact OD2-NE2 2.86Å; E167-H445 IonicContact OE1-CD2 2.68Å; E167-H445 IonicContact OE1-NE2 3.65Å; E167-H445 PolarHBondContact OE1-NE2 3.46Å; E167-H445 IonicContact OE2-CD2 3.07Å; E167-H445 IonicContact OE2-CE1 3.8Å; E167-H445 PolarHBondContact OE2-CE1 3.46Å; E167-H445 IonicContact OE2-NE2 3.04Å; E167-H445 PolarHBondContact OE2-NE2 2.98Å; G443-H445 PolarHBondContact O-N 3.46Å
446	S	96.6	Very high	98	Very high	50 Å²	50	28.1 Å²	28.1	35%	0.35	17%	0.165	S	C	.	.	S	Bend	trans	-105.6	175.4	-179.5	-166.4	0	0	0	0	111.7	W111 R128 G443 A444	W111-S446 WeakPolarHBondContact CZ2-O 3.46Å; R128-S446 PolarHBondContact NH1-O 3.48Å; R128-S446 PolarHBondContact NH2-O 2.78Å; R128-S446 VanDerWaalsContact NH2-O 3.07Å; G443-S446 WeakPolarHBondContact O-CA 3.39Å; G443-S446 WeakPolarHBondContact O-CB 3.44Å; G443-S446 PolarHBondContact O-N 2.89Å; A444-S446 PolarHBondContact O-N 3.11Å
447	Q	97.4	Very high	98.1	Very high	85 Å²	85	28.3 Å²	28.3	40%	0.397	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	150.9	160.6	-57.3	81.3	-4.5	0	0	110.5	D109 W111 E449	D109-Q447 HydrophobicContact CB-CG 4.25Å; D109-Q447 WeakPolarHBondContact O-CG 3.4Å; D109-Q447 PolarHBondContact O-NE2 3.47Å; W111-Q447 HydrophobicContact CG-CB 4.47Å; Q447-E449 PolarHBondContact O-N 2.91Å
448	N	98.3	Very high	98.1	Very high	41 Å²	41	30.9 Å²	30.9	22%	0.219	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	35.1	174.7	-58	-38.3	0	0	0	113.5	W111 D112 Y126 K450	W111-N448 WeakPolarHBondContact CA-OD1 3.33Å; D112-N448 PolarHBondContact N-OD1 2.94Å; D112-N448 PolarHBondContact OD2-ND2 3.28Å; Y126-N448 HydrophobicContact CD1-CB 4.25Å; Y126-N448 WeakPolarHBondContact CD1-O 3.5Å; Y126-N448 HydrophobicContact CE1-CB 4.32Å; N448-K450 PolarHBondContact O-N 2.77Å
449	E	98.8	Very high	98.1	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	18%	0.178	C	C	.	.			trans	-51.5	133.8	170.8	-172.2	-160.2	136.5	0	0	109.7	W111 Y126 G127 R128 G129 S130 T131 D132 D442 Q447	W111-E449 HydrophobicContact CH2-CB 3.74Å; W111-E449 HydrophobicContact CZ2-CB 4.41Å; Y126-E449 WeakPolarHBondContact CA-O 3.41Å; G127-E449 PolarHBondContact N-O 3.45Å; R128-E449 WeakPolarHBondContact CA-OE2 3.16Å; R128-E449 WeakPolarHBondContact CD-OE2 3.36Å; R128-E449 IonicContact CZ-OE2 3.9Å; R128-E449 IonicContact NE-OE2 2.67Å; R128-E449 IonicContact NH1-OE2 3.69Å; R128-E449 PolarHBondContact NH1-OE2 2.86Å; G129-E449 VanDerWaalsContact CA-OE1 3.22Å; G129-E449 WeakPolarHBondContact CA-OE1 3.22Å; G129-E449 VanDerWaalsContact N-CD 3.29Å; G129-E449 PolarHBondContact N-OE1 2.88Å; G129-E449 PolarHBondContact N-OE2 3.42Å; S130-E449 PolarHBondContact N-OE1 2.92Å; S130-E449 PolarHBondContact OG-OE1 2.89Å; T131-E449 HydrophobicContact CG2-CG 3.76Å; T131-E449 PolarHBondContact N-OE1 2.88Å; D132-E449 PolarHBondContact N-OE1 3.3Å; D442-E449 CarbonylContact O-C 3.52Å; D442-E449 VanDerWaalsContact O-CA 3.3Å; D442-E449 WeakPolarHBondContact O-CA 3.48Å; Q447-E449 PolarHBondContact O-N 2.91Å
450	K	98.8	Very high	98.1	Very high	6 Å²	6	30.6 Å²	30.6	3%	0.026	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	149.6	-179.9	72.9	92.1	-139.3	-68.2	0	111.8	K124 L125 Y126 S130 D441 D442 N448 N452	K124-K450 HydrophobicContact CB-CB 4.4Å; K124-K450 HydrophobicContact CB-CD 3.8Å; K124-K450 HydrophobicContact CB-CG 4.36Å; K124-K450 HydrophobicContact CD-CD 4.1Å; K124-K450 HydrophobicContact CG-CD 3.95Å; L125-K450 VanDerWaalsContact O-CA 3.26Å; L125-K450 WeakPolarHBondContact O-CA 3.36Å; Y126-K450 HydrophobicContact CD1-CB 3.59Å; Y126-K450 HydrophobicContact CD1-CG 4.4Å; Y126-K450 HydrophobicContact CE1-CB 3.74Å; Y126-K450 HydrophobicContact CE1-CG 4.05Å; Y126-K450 HydrophobicContact CG-CB 4.02Å; S130-K450 WeakPolarHBondContact OG-CA 3.29Å; D441-K450 VanDerWaalsContact CG-NZ 3.26Å; D441-K450 PolarHBondContact O-NZ 3.16Å; D441-K450 IonicContact OD1-NZ 2.67Å; D441-K450 PolarHBondContact OD1-NZ 3.03Å; D441-K450 IonicContact OD2-NZ 3.37Å; D442-K450 WeakPolarHBondContact CA-O 3.41Å; D442-K450 WeakPolarHBondContact CB-O 3.42Å; D442-K450 PolarHBondContact O-N 2.81Å; D442-K450 WeakPolarHBondContact OD1-CE 3.32Å; D442-K450 IonicContact OD1-NZ 2.77Å; D442-K450 PolarHBondContact OD1-NZ 3.26Å; N448-K450 PolarHBondContact O-N 2.77Å; K450-N452 VanDerWaalsContact CD-OD1 3.24Å; K450-N452 WeakPolarHBondContact CD-OD1 3.38Å; K450-N452 WeakPolarHBondContact CE-OD1 3.47Å; K450-N452 PolarHBondContact NZ-OD1 2.82Å
451	L	98.9	Very high	98.2	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	124.8	161.3	-179	58.7	0	0	0	109.2	L125 S130 V437 R453 N455 Y456	L125-L451 VanDerWaalsContact CB-O 3.26Å; L125-L451 WeakPolarHBondContact CB-O 3.24Å; L125-L451 WeakPolarHBondContact CG-O 3.46Å; L125-L451 PolarHBondContact N-O 2.86Å; L125-L451 PolarHBondContact O-N 3.35Å; S130-L451 WeakPolarHBondContact O-CD2 3.29Å; S130-L451 PolarHBondContact OG-N 3.41Å; V437-L451 HydrophobicContact CG1-CD1 4.17Å; V437-L451 HydrophobicContact CG1-CD2 4.41Å; L451-R453 PolarHBondContact O-N 3.13Å; L451-N455 HydrophobicContact CD1-CB 3.94Å; L451-Y456 HydrophobicContact CD2-CD2 3.96Å; L451-Y456 HydrophobicContact CD2-CG 3.93Å
452	N	98.8	Very high	98.3	Very high	25 Å²	25	27.3 Å²	27.3	13%	0.134	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	134.5	174	-67.2	-31	0	0	0	108.9	K124 S439 K450 S454 N455 Y456	K124-N452 WeakPolarHBondContact CG-OD1 3.5Å; S439-N452 PolarHBondContact OG-ND2 3.47Å; K450-N452 VanDerWaalsContact CD-OD1 3.24Å; K450-N452 WeakPolarHBondContact CD-OD1 3.38Å; K450-N452 WeakPolarHBondContact CE-OD1 3.47Å; K450-N452 PolarHBondContact NZ-OD1 2.82Å; N452-S454 PolarHBondContact O-N 2.72Å; N452-N455 HydrophobicContact CB-CB 3.98Å; N452-N455 WeakPolarHBondContact CB-OD1 3.39Å; N452-N455 PolarHBondContact ND2-OD1 3.22Å; N452-N455 WeakPolarHBondContact O-CA 3.44Å; N452-N455 WeakPolarHBondContact O-CB 3.39Å; N452-N455 PolarHBondContact O-N 2.72Å; N452-Y456 PolarHBondContact O-N 2.75Å
453	R	98.8	Very high	98.4	Very high	47 Å²	47	27.2 Å²	27.2	18%	0.177	15%	0.154	C	C	.	.	H	α-helix	trans	-57.5	-39.3	176.2	178.1	172.3	173.1	161.7	3.9	111.2	D16 V19 E120 G123 L125 L451 N455 Y456 I457	D16-R453 IonicContact OD1-CZ 3.32Å; D16-R453 IonicContact OD1-NH1 3.93Å; D16-R453 IonicContact OD1-NH2 3.55Å; D16-R453 PolarHBondContact OD1-NH2 3.02Å; V19-R453 HydrophobicContact CG2-CG 4.48Å; E120-R453 WeakPolarHBondContact OE1-CD 3.19Å; E120-R453 IonicContact OE1-CZ 3.7Å; E120-R453 IonicContact OE1-NE 3.1Å; E120-R453 IonicContact OE1-NH1 3.67Å; E120-R453 PolarHBondContact OE1-NH1 2.97Å; E120-R453 IonicContact OE2-NH1 2.83Å; E120-R453 PolarHBondContact OE2-NH1 2.89Å; E120-R453 VanDerWaalsContact OE2-NH1 3.1Å; G123-R453 WeakPolarHBondContact O-CB 3.29Å; G123-R453 PolarHBondContact O-N 3.26Å; L125-R453 HydrophobicContact CD1-CB 4.4Å; L125-R453 HydrophobicContact CD2-CB 4.4Å; L125-R453 HydrophobicContact CG-CB 4.28Å; L451-R453 PolarHBondContact O-N 3.13Å; R453-N455 VanDerWaalsContact C-N 3.33Å; R453-N455 PolarHBondContact O-N 3.24Å; R453-Y456 PolarHBondContact O-N 3.16Å; R453-I457 HydrophobicContact CG-CG1 4.17Å; R453-I457 WeakPolarHBondContact O-CB 3.31Å; R453-I457 VanDerWaalsContact O-CG1 3.26Å; R453-I457 WeakPolarHBondContact O-CG1 3.38Å; R453-I457 PolarHBondContact O-N 2.97Å
454	S	98.4	Very high	98.4	Very high	71 Å²	71	25.7 Å²	25.7	50%	0.497	14%	0.139	S	C	.	.	H	α-helix	trans	-56.9	-46.2	173.1	52.4	0	0	0	0	112	N452 Q458	N452-S454 PolarHBondContact O-N 2.72Å; S454-Q458 VanDerWaalsContact O-CB 3.23Å; S454-Q458 WeakPolarHBondContact O-CB 3.37Å; S454-Q458 WeakPolarHBondContact O-CG 3.18Å; S454-Q458 PolarHBondContact O-N 3.48Å
455	N	98.8	Very high	98.5	Very high	12 Å²	12	24.4 Å²	24.4	6%	0.064	13%	0.128	C	C	.	.	H	α-helix	trans	-64.6	-45.4	178.8	-78.7	74	0	0	0	111.9	V437 S439 L451 N452 R453 G459	V437-N455 WeakPolarHBondContact O-CB 3.49Å; V437-N455 PolarHBondContact O-ND2 2.86Å; S439-N455 PolarHBondContact OG-ND2 2.89Å; S439-N455 PolarHBondContact OG-OD1 2.87Å; L451-N455 HydrophobicContact CD1-CB 3.94Å; N452-N455 HydrophobicContact CB-CB 3.98Å; N452-N455 WeakPolarHBondContact CB-OD1 3.39Å; N452-N455 PolarHBondContact ND2-OD1 3.22Å; N452-N455 WeakPolarHBondContact O-CA 3.44Å; N452-N455 WeakPolarHBondContact O-CB 3.39Å; N452-N455 PolarHBondContact O-N 2.72Å; R453-N455 VanDerWaalsContact C-N 3.33Å; R453-N455 PolarHBondContact O-N 3.24Å; N455-G459 VanDerWaalsContact O-CA 3.29Å; N455-G459 WeakPolarHBondContact O-CA 3.45Å; N455-G459 PolarHBondContact O-N 3.45Å
456	Y	98.9	Very high	98.6	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-59.9	-51.5	178	-176.6	-146.5	0	0	0	111.8	Y18 V19 L22 L125 G135 L138 A139 N142 L451 N452 R453 G459 V460	Y18-Y456 WeakPolarHBondContact O-CE1 3.28Å; Y18-Y456 PolarHBondContact O-OH 2.94Å; Y18-Y456 VanDerWaalsContact O-OH 3.08Å; V19-Y456 HydrophobicContact CG2-CD1 4.5Å; L22-Y456 HydrophobicContact CB-CE1 4.19Å; L22-Y456 HydrophobicContact CD2-CD1 4.32Å; L22-Y456 HydrophobicContact CD2-CE1 4.15Å; L125-Y456 HydrophobicContact CD1-CD1 4.03Å; G135-Y456 VanDerWaalsContact O-CE2 3.23Å; G135-Y456 WeakPolarHBondContact O-CE2 3.13Å; L138-Y456 HydrophobicContact CB-CE2 4.39Å; L138-Y456 WeakPolarHBondContact CB-OH 3.36Å; A139-Y456 HydrophobicContact CB-CD2 4.25Å; A139-Y456 HydrophobicContact CB-CE2 4.03Å; N142-Y456 PolarHBondContact ND2-OH 3.39Å; L451-Y456 HydrophobicContact CD2-CD2 3.96Å; L451-Y456 HydrophobicContact CD2-CG 3.93Å; N452-Y456 PolarHBondContact O-N 2.75Å; R453-Y456 PolarHBondContact O-N 3.16Å; Y456-G459 WeakPolarHBondContact O-CA 3.46Å; Y456-G459 PolarHBondContact O-N 2.88Å; Y456-V460 HydrophobicContact CE2-CG2 4.45Å; Y456-V460 WeakPolarHBondContact O-CG2 3.43Å; Y456-V460 PolarHBondContact O-N 3.22Å
457	I	98.9	Very high	98.7	Very high	5 Å²	5	17.3 Å²	17.3	3%	0.026	9%	0.089	C	C	.	.	H	α-helix	trans	-70.6	-42.5	-175.3	-58.9	-52	0	0	0	111.9	V11 Q15 Y18 R453 G459 V460 K461	V11-I457 HydrophobicContact CG1-CG2 3.81Å; Q15-I457 HydrophobicContact CB-CD1 3.42Å; Q15-I457 VanDerWaalsContact CB-CD1 3.42Å; Q15-I457 HydrophobicContact CB-CG1 3.74Å; Q15-I457 HydrophobicContact CB-CG2 4.27Å; Y18-I457 HydrophobicContact CD2-CD1 4.02Å; R453-I457 HydrophobicContact CG-CG1 4.17Å; R453-I457 WeakPolarHBondContact O-CB 3.31Å; R453-I457 VanDerWaalsContact O-CG1 3.26Å; R453-I457 WeakPolarHBondContact O-CG1 3.38Å; R453-I457 PolarHBondContact O-N 2.97Å; I457-G459 VanDerWaalsContact C-N 3.28Å; I457-G459 PolarHBondContact O-N 2.9Å; I457-V460 PolarHBondContact O-N 3.02Å; I457-K461 PolarHBondContact O-N 3.16Å
458	Q	98.8	Very high	98.7	Very high	57 Å²	57	14 Å²	14	27%	0.266	7%	0.074	S	C	.	.	H	α-helix	trans	-69.7	-29.6	173.9	-59.7	-62	-32.1	0	0	111.4	V404 F405 S454 K461 M462	V404-Q458 HydrophobicContact CG1-CB 3.99Å; F405-Q458 HydrophobicContact CE1-CB 3.61Å; F405-Q458 HydrophobicContact CE1-CG 4.32Å; F405-Q458 HydrophobicContact CZ-CB 3.86Å; S454-Q458 VanDerWaalsContact O-CB 3.23Å; S454-Q458 WeakPolarHBondContact O-CB 3.37Å; S454-Q458 WeakPolarHBondContact O-CG 3.18Å; S454-Q458 PolarHBondContact O-N 3.48Å; Q458-K461 WeakPolarHBondContact O-CB 3.49Å; Q458-K461 PolarHBondContact O-N 3.16Å; Q458-M462 WeakPolarHBondContact O-CB 3.45Å; Q458-M462 PolarHBondContact O-N 3Å
459	G	98.8	Very high	98.8	Very high	1 Å²	1	12.4 Å²	12.4	1%	0.01	7%	0.065	C	C	.	.	H	α-helix	trans	-57.1	-50.3	170	0	0	0	0	0	111.5	N455 Y456 I457 K461 M462 L463	N455-G459 VanDerWaalsContact O-CA 3.29Å; N455-G459 WeakPolarHBondContact O-CA 3.45Å; N455-G459 PolarHBondContact O-N 3.45Å; Y456-G459 WeakPolarHBondContact O-CA 3.46Å; Y456-G459 PolarHBondContact O-N 2.88Å; I457-G459 VanDerWaalsContact C-N 3.28Å; I457-G459 PolarHBondContact O-N 2.9Å; G459-K461 VanDerWaalsContact C-N 3.25Å; G459-K461 PolarHBondContact O-N 3.23Å; G459-M462 WeakPolarHBondContact O-CB 3.49Å; G459-M462 PolarHBondContact O-N 2.79Å; G459-L463 VanDerWaalsContact O-CG 3.25Å; G459-L463 WeakPolarHBondContact O-CG 3.41Å; G459-L463 PolarHBondContact O-N 3.27Å
460	V	98.9	Very high	98.8	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-53.6	-43.8	174.4	179	0	0	0	0	111.4	V11 Y18 A139 N142 C143 Y456 I457 G464	V11-V460 HydrophobicContact CB-CG1 4.45Å; V11-V460 HydrophobicContact CG1-CB 3.99Å; V11-V460 HydrophobicContact CG1-CG1 3.91Å; V11-V460 HydrophobicContact CG2-CG1 3.62Å; Y18-V460 HydrophobicContact CE2-CG1 4.47Å; A139-V460 HydrophobicContact CB-CG2 3.81Å; N142-V460 HydrophobicContact CB-CG1 3.93Å; N142-V460 HydrophobicContact CB-CG2 3.99Å; C143-V460 HydrophobicContact CB-CG1 3.85Å; C143-V460 VanDerWaalsContact CB-O 3.26Å; C143-V460 WeakPolarHBondContact CB-O 3.43Å; Y456-V460 HydrophobicContact CE2-CG2 4.45Å; Y456-V460 WeakPolarHBondContact O-CG2 3.43Å; Y456-V460 PolarHBondContact O-N 3.22Å; I457-V460 PolarHBondContact O-N 3.02Å; V460-G464 PolarHBondContact O-N 3.34Å
461	K	98.9	Very high	98.7	Very high	12 Å²	12	13.8 Å²	13.8	5%	0.052	8%	0.075	C	C	.	.	H	α-helix	trans	-65.8	-42.8	176.9	-64.2	-178.3	-175.4	175.6	0	112.2	F8 V11 D12 V404 I457 Q458 G459 G464 A465	F8-K461 HydrophobicContact CB-CD 3.93Å; F8-K461 HydrophobicContact CB-CG 4.38Å; F8-K461 HydrophobicContact CD1-CB 3.64Å; F8-K461 HydrophobicContact CD1-CD 3.91Å; F8-K461 HydrophobicContact CD1-CG 3.65Å; F8-K461 HydrophobicContact CD2-CD 4.44Å; F8-K461 HydrophobicContact CE1-CB 3.64Å; F8-K461 HydrophobicContact CE1-CG 4.19Å; F8-K461 WeakPolarHBondContact CE1-O 3.12Å; F8-K461 HydrophobicContact CG-CB 4.37Å; F8-K461 HydrophobicContact CG-CD 3.84Å; F8-K461 HydrophobicContact CG-CG 4.12Å; F8-K461 HydrophobicContact CZ-CB 4.34Å; F8-K461 WeakPolarHBondContact O-CE 3.28Å; V11-K461 HydrophobicContact CB-CG 4.1Å; V11-K461 HydrophobicContact CG1-CG 3.77Å; V11-K461 HydrophobicContact CG2-CG 4.44Å; D12-K461 WeakPolarHBondContact OD1-CE 3.44Å; D12-K461 IonicContact OD1-NZ 3.54Å; D12-K461 PolarHBondContact OD1-NZ 3.3Å; D12-K461 IonicContact OD2-NZ 3.98Å; D12-K461 PolarHBondContact OD2-NZ 3.13Å; V404-K461 HydrophobicContact CG1-CB 4.18Å; V404-K461 HydrophobicContact CG2-CB 3.98Å; I457-K461 PolarHBondContact O-N 3.16Å; Q458-K461 WeakPolarHBondContact O-CB 3.49Å; Q458-K461 PolarHBondContact O-N 3.16Å; G459-K461 VanDerWaalsContact C-N 3.25Å; G459-K461 PolarHBondContact O-N 3.23Å; K461-G464 PolarHBondContact O-N 2.59Å; K461-A465 WeakPolarHBondContact O-CB 3.31Å; K461-A465 PolarHBondContact O-N 2.87Å
462	M	98.9	Very high	98.6	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.005	10%	0.101	C	C	.	.	H	α-helix	trans	-62.6	-46.9	-179.4	174.6	-81.2	-68.4	0	0	110.8	M401 V404 F405 L435 V437 Q458 G459 G464 A465 Y466	M401-M462 HydrophobicContact CE-CE 3.77Å; M401-M462 HydrophobicContact CE-CG 3.86Å; M401-M462 HydrophobicContact CE-SD 3.76Å; M401-M462 HydrophobicContact CG-CG 4.34Å; M401-M462 HydrophobicContact SD-CG 3.63Å; M401-M462 HydrophobicContact SD-SD 4.33Å; V404-M462 HydrophobicContact CB-CB 4.46Å; V404-M462 HydrophobicContact CG1-CB 4.49Å; V404-M462 HydrophobicContact CG2-CB 4.22Å; F405-M462 HydrophobicContact CE2-CB 4.06Å; F405-M462 HydrophobicContact CE2-CG 4.08Å; F405-M462 HydrophobicContact CZ-CB 4.5Å; L435-M462 HydrophobicContact CB-CE 4.01Å; L435-M462 HydrophobicContact CB-SD 4.04Å; L435-M462 HydrophobicContact CD1-SD 3.83Å; L435-M462 HydrophobicContact CG-SD 4.39Å; V437-M462 HydrophobicContact CG2-CE 3.98Å; Q458-M462 WeakPolarHBondContact O-CB 3.45Å; Q458-M462 PolarHBondContact O-N 3Å; G459-M462 WeakPolarHBondContact O-CB 3.49Å; G459-M462 PolarHBondContact O-N 2.79Å; M462-G464 PolarHBondContact O-N 3.28Å; M462-A465 PolarHBondContact O-N 3.38Å; M462-Y466 WeakPolarHBondContact O-CB 3.37Å; M462-Y466 PolarHBondContact O-N 3.44Å
463	L	98.9	Very high	98.5	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-64	-40.9	177.1	-60.9	176.1	0	0	0	111.3	A139 W140 V437 G459 A465 Y466 F467	A139-L463 HydrophobicContact CB-CD1 3.56Å; W140-L463 HydrophobicContact CD2-CB 4.44Å; W140-L463 HydrophobicContact CD2-CD1 3.77Å; W140-L463 HydrophobicContact CD2-CD2 4.22Å; W140-L463 HydrophobicContact CD2-CG 4.34Å; W140-L463 HydrophobicContact CE3-CB 3.69Å; W140-L463 HydrophobicContact CE3-CD1 3.88Å; W140-L463 HydrophobicContact CE3-CD2 4.03Å; W140-L463 HydrophobicContact CE3-CG 4.04Å; W140-L463 HydrophobicContact CG-CD1 4.17Å; W140-L463 HydrophobicContact CH2-CB 4.32Å; W140-L463 HydrophobicContact CH2-CD2 3.4Å; W140-L463 HydrophobicContact CH2-CG 4.28Å; W140-L463 HydrophobicContact CZ2-CD2 3.57Å; W140-L463 HydrophobicContact CZ3-CB 3.59Å; W140-L463 HydrophobicContact CZ3-CD1 4.31Å; W140-L463 HydrophobicContact CZ3-CD2 3.6Å; W140-L463 HydrophobicContact CZ3-CG 3.98Å; V437-L463 HydrophobicContact CG2-CD1 4.34Å; G459-L463 VanDerWaalsContact O-CG 3.25Å; G459-L463 WeakPolarHBondContact O-CG 3.41Å; G459-L463 PolarHBondContact O-N 3.27Å; L463-A465 PolarHBondContact O-N 3.02Å; L463-Y466 WeakPolarHBondContact O-CB 3.09Å; L463-Y466 PolarHBondContact O-N 2.97Å; L463-F467 PolarHBondContact O-N 3.45Å; L463-F467 VanDerWaalsContact O-N 3.12Å
464	G	98.6	Very high	97.7	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-65.2	-36.8	173.7	0	0	0	0	0	113.8	Y147 V460 K461 M462 H468	Y147-G464 WeakPolarHBondContact CE2-O 3.23Å; Y147-G464 PolarHBondContact OH-O 2.93Å; V460-G464 PolarHBondContact O-N 3.34Å; K461-G464 PolarHBondContact O-N 2.59Å; M462-G464 PolarHBondContact O-N 3.28Å; G464-H468 PolarHBondContact O-N 2.78Å
465	A	98.8	Very high	97.7	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-69.6	-38.2	173.4	0	0	0	0	0	111.6	L4 F8 A400 V404 K461 M462 L463 F467 H468 E469	L4-A465 HydrophobicContact CD1-CB 4.38Å; L4-A465 HydrophobicContact CD2-CB 4.4Å; F8-A465 HydrophobicContact CE1-CB 4.38Å; F8-A465 HydrophobicContact CZ-CB 4.16Å; A400-A465 HydrophobicContact CB-CB 4Å; V404-A465 HydrophobicContact CG2-CB 4.32Å; K461-A465 WeakPolarHBondContact O-CB 3.31Å; K461-A465 PolarHBondContact O-N 2.87Å; M462-A465 PolarHBondContact O-N 3.38Å; L463-A465 PolarHBondContact O-N 3.02Å; A465-F467 VanDerWaalsContact C-N 3.34Å; A465-F467 PolarHBondContact O-N 3.48Å; A465-H468 WeakPolarHBondContact O-CB 3.36Å; A465-H468 PolarHBondContact O-N 2.87Å; A465-H468 VanDerWaalsContact O-N 3.08Å; A465-E469 WeakPolarHBondContact O-CG 3.33Å; A465-E469 PolarHBondContact O-N 3.43Å
466	Y	98.9	Very high	97.6	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-58.3	-44	174.8	161.7	-102.8	0	0	0	111.8	V94 W140 C192 H393 M433 L435 M462 L463 H468 E469 V470	V94-Y466 HydrophobicContact CG1-CE1 4.23Å; W140-Y466 AromaticContact CH2-CD1 3.85Å; W140-Y466 HydrophobicContact CH2-CD1 3.85Å; W140-Y466 AromaticContact CH2-CE1 3.96Å; W140-Y466 HydrophobicContact CH2-CE1 3.96Å; W140-Y466 AromaticContact CZ3-CD1 3.97Å; W140-Y466 HydrophobicContact CZ3-CD1 3.97Å; W140-Y466 HydrophobicContact CZ3-CE1 4.32Å; C192-Y466 HydrophobicContact CB-CE1 3.9Å; C192-Y466 WeakPolarHBondContact CB-OH 3.49Å; H393-Y466 AromaticContact CD2-CE2 3.94Å; H393-Y466 AromaticContact NE2-CE2 3.51Å; H393-Y466 AromaticContact NE2-CZ 3.51Å; H393-Y466 PolarHBondContact NE2-OH 2.92Å; M433-Y466 HydrophobicContact CE-CD2 3.81Å; M433-Y466 HydrophobicContact CE-CE2 3.33Å; L435-Y466 HydrophobicContact CD1-CD1 4.17Å; L435-Y466 HydrophobicContact CD1-CD2 3.72Å; L435-Y466 HydrophobicContact CD1-CE2 4.25Å; L435-Y466 HydrophobicContact CD1-CG 3.67Å; M462-Y466 WeakPolarHBondContact O-CB 3.37Å; M462-Y466 PolarHBondContact O-N 3.44Å; L463-Y466 WeakPolarHBondContact O-CB 3.09Å; L463-Y466 PolarHBondContact O-N 2.97Å; Y466-H468 VanDerWaalsContact C-N 3.27Å; Y466-H468 PolarHBondContact O-N 3.19Å; Y466-E469 PolarHBondContact O-N 3.42Å; Y466-E469 VanDerWaalsContact O-N 3.12Å; Y466-V470 HydrophobicContact CD2-CG2 3.81Å; Y466-V470 HydrophobicContact CE1-CG2 4.14Å; Y466-V470 HydrophobicContact CE2-CG2 3.26Å; Y466-V470 HydrophobicContact CG-CG2 4.45Å; Y466-V470 VanDerWaalsContact CZ-CG2 3.45Å; Y466-V470 WeakPolarHBondContact O-CG2 3.36Å; Y466-V470 PolarHBondContact O-N 2.98Å
467	F	98.6	Very high	97.5	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-56.6	-41.6	173.3	-67.4	-12.1	0	0	0	112.8	I96 W140 C143 I144 Y147 L154 P155 I156 I158 L463 A465 S471	I96-F467 HydrophobicContact CD1-CE1 3.93Å; I96-F467 HydrophobicContact CD1-CZ 3.8Å; W140-F467 AromaticContact CE3-CE1 3.66Å; W140-F467 HydrophobicContact CE3-CE1 3.66Å; W140-F467 AromaticContact CE3-CZ 3.49Å; W140-F467 HydrophobicContact CE3-CZ 3.49Å; W140-F467 VanDerWaalsContact CE3-CZ 3.49Å; W140-F467 HydrophobicContact CH2-CE1 4.23Å; W140-F467 HydrophobicContact CZ3-CD1 4.1Å; W140-F467 AromaticContact CZ3-CE1 3.23Å; W140-F467 HydrophobicContact CZ3-CE1 3.23Å; W140-F467 AromaticContact CZ3-CZ 3.61Å; W140-F467 HydrophobicContact CZ3-CZ 3.61Å; C143-F467 WeakPolarHBondContact SG-CE2 3.33Å; I144-F467 HydrophobicContact CG1-CE2 3.72Å; I144-F467 HydrophobicContact CG1-CZ 4.3Å; Y147-F467 HydrophobicContact CD2-CD2 4.45Å; Y147-F467 HydrophobicContact CE2-CB 4.36Å; Y147-F467 HydrophobicContact CE2-CD2 4.12Å; L154-F467 HydrophobicContact CD1-CD2 3.93Å; L154-F467 HydrophobicContact CD1-CE2 4.22Å; P155-F467 HydrophobicContact CG-CB 3.74Å; P155-F467 WeakPolarHBondContact CG-O 3.35Å; I156-F467 HydrophobicContact CD1-CB 4.19Å; I156-F467 HydrophobicContact CD1-CD1 3.32Å; I156-F467 HydrophobicContact CD1-CD2 4.47Å; I156-F467 HydrophobicContact CD1-CE1 3.68Å; I156-F467 HydrophobicContact CD1-CG 3.77Å; I156-F467 HydrophobicContact CD1-CZ 4.4Å; I156-F467 HydrophobicContact CG1-CB 4.2Å; I156-F467 HydrophobicContact CG1-CD1 4.17Å; I156-F467 HydrophobicContact CG1-CG 4.11Å; I158-F467 HydrophobicContact CD1-CE1 4.32Å; I158-F467 HydrophobicContact CD1-CE2 3.78Å; I158-F467 HydrophobicContact CD1-CZ 3.59Å; L463-F467 PolarHBondContact O-N 3.45Å; L463-F467 VanDerWaalsContact O-N 3.12Å; A465-F467 VanDerWaalsContact C-N 3.34Å; A465-F467 PolarHBondContact O-N 3.48Å; F467-S471 PolarHBondContact O-N 2.84Å
468	H	98.4	Very high	97.5	Very high	15 Å²	15	29.7 Å²	29.7	7%	0.069	14%	0.144	C	C	.	.	H	α-helix	trans	-62.2	-51.1	174.7	178	44.7	0	0	0	110.7	M1 H3 L4 G464 A465 Y466 V470 S471 Q472	M1-H468 PolarHBondContact N-NE2 2.97Å; H3-H468 AromaticContact CE1-CE1 3.79Å; H3-H468 AromaticContact CE1-CG 3.66Å; H3-H468 AromaticContact CE1-ND1 3.44Å; H3-H468 PolarHBondContact CE1-ND1 2.85Å; H3-H468 AromaticContact NE2-CG 3.95Å; L4-H468 HydrophobicContact CD2-CB 4.2Å; G464-H468 PolarHBondContact O-N 2.78Å; A465-H468 WeakPolarHBondContact O-CB 3.36Å; A465-H468 PolarHBondContact O-N 2.87Å; A465-H468 VanDerWaalsContact O-N 3.08Å; Y466-H468 VanDerWaalsContact C-N 3.27Å; Y466-H468 PolarHBondContact O-N 3.19Å; H468-V470 VanDerWaalsContact C-N 3.34Å; H468-V470 PolarHBondContact O-N 3.43Å; H468-S471 WeakPolarHBondContact O-CB 3.17Å; H468-S471 PolarHBondContact O-N 2.93Å; H468-S471 VanDerWaalsContact O-N 3.12Å; H468-S471 PolarHBondContact O-OG 3.01Å; H468-Q472 WeakPolarHBondContact O-CG 3.44Å; H468-Q472 PolarHBondContact O-N 2.95Å
469	E	98.7	Very high	97.4	Very high	8 Å²	8	28 Å²	28	4%	0.037	14%	0.137	C	C	.	.	H	α-helix	trans	-64	-36.4	-175.4	-66.3	-61.2	153.3	0	0	112.9	A396 K399 A400 A465 Y466 S471 Q472	A396-E469 HydrophobicContact CB-CB 3.68Å; K399-E469 HydrophobicContact CB-CG 3.83Å; K399-E469 WeakPolarHBondContact CD-OE2 3.21Å; K399-E469 IonicContact NZ-OE2 2.88Å; A400-E469 HydrophobicContact CB-CG 4.35Å; A465-E469 WeakPolarHBondContact O-CG 3.33Å; A465-E469 PolarHBondContact O-N 3.43Å; Y466-E469 PolarHBondContact O-N 3.42Å; Y466-E469 VanDerWaalsContact O-N 3.12Å; E469-S471 VanDerWaalsContact C-N 3.32Å; E469-S471 PolarHBondContact O-N 3.21Å; E469-Q472 PolarHBondContact O-N 3.14Å; E469-Q472 VanDerWaalsContact O-N 3.11Å
470	V	98.6	Very high	97.3	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-61.1	-41.3	173.5	171.4	0	0	0	0	111.5	K92 V94 I156 Y190 A396 Y466 H468 Q472 L473	K92-V470 HydrophobicContact CB-CG1 4.14Å; V94-V470 HydrophobicContact CG2-CG1 3.86Å; I156-V470 HydrophobicContact CG2-CB 4.19Å; I156-V470 HydrophobicContact CG2-CG1 3.93Å; Y190-V470 HydrophobicContact CD2-CG1 3.67Å; Y190-V470 HydrophobicContact CE2-CG1 3.78Å; A396-V470 HydrophobicContact CB-CG2 4.04Å; Y466-V470 HydrophobicContact CD2-CG2 3.81Å; Y466-V470 HydrophobicContact CE1-CG2 4.14Å; Y466-V470 HydrophobicContact CE2-CG2 3.26Å; Y466-V470 HydrophobicContact CG-CG2 4.45Å; Y466-V470 VanDerWaalsContact CZ-CG2 3.45Å; Y466-V470 WeakPolarHBondContact O-CG2 3.36Å; Y466-V470 PolarHBondContact O-N 2.98Å; H468-V470 VanDerWaalsContact C-N 3.34Å; H468-V470 PolarHBondContact O-N 3.43Å; V470-Q472 PolarHBondContact O-N 3.12Å; V470-Q472 VanDerWaalsContact O-N 3.15Å; V470-L473 WeakPolarHBondContact O-CB 3.46Å; V470-L473 PolarHBondContact O-N 2.81Å; V470-L473 VanDerWaalsContact O-N 3.07Å
471	S	97.8	Very high	97.2	Very high	35 Å²	35	31.9 Å²	31.9	25%	0.245	16%	0.156	C	C	.	.	H	α-helix	trans	-65.5	-15.1	177.5	76.1	0	0	0	0	114.1	P155 F467 H468 E469	P155-S471 WeakPolarHBondContact O-CB 3.28Å; F467-S471 PolarHBondContact O-N 2.84Å; H468-S471 WeakPolarHBondContact O-CB 3.17Å; H468-S471 PolarHBondContact O-N 2.93Å; H468-S471 VanDerWaalsContact O-N 3.12Å; H468-S471 PolarHBondContact O-OG 3.01Å; E469-S471 VanDerWaalsContact C-N 3.32Å; E469-S471 PolarHBondContact O-N 3.21Å
472	Q	97.6	Very high	97	Very high	115 Å²	115	33.5 Å²	33.5	54%	0.537	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-2.6	176.9	-53.9	-53.6	-79.5	0	0	112.8	H468 E469 V470	H468-Q472 WeakPolarHBondContact O-CG 3.44Å; H468-Q472 PolarHBondContact O-N 2.95Å; E469-Q472 PolarHBondContact O-N 3.14Å; E469-Q472 VanDerWaalsContact O-N 3.11Å; V470-Q472 PolarHBondContact O-N 3.12Å; V470-Q472 VanDerWaalsContact O-N 3.15Å
473	L	96.4	Very high	96.9	Very high	24 Å²	24	36.2 Å²	36.2	13%	0.126	18%	0.177	C	C	.	.			trans	-76.8	133.3	175	-60.7	179.5	0	0	0	109.8	K92 Y190 P392 A396 V470	K92-L473 VanDerWaalsContact CE-O 3.29Å; K92-L473 WeakPolarHBondContact CE-O 3.44Å; Y190-L473 HydrophobicContact CE1-CD1 4.16Å; Y190-L473 HydrophobicContact CE2-CD1 4.25Å; Y190-L473 WeakPolarHBondContact OH-CD1 3.41Å; P392-L473 HydrophobicContact CB-CD2 4.22Å; A396-L473 HydrophobicContact CB-CD1 4Å; A396-L473 HydrophobicContact CB-CD2 4.35Å; A396-L473 HydrophobicContact CB-CG 4.32Å; V470-L473 WeakPolarHBondContact O-CB 3.46Å; V470-L473 PolarHBondContact O-N 2.81Å; V470-L473 VanDerWaalsContact O-N 3.07Å
474	E	81.5	Confident	96.7	Very high	237 Å²	237	39.5 Å²	39.5	100%	1.107	19%	0.193	S	C	*	.			trans	-64.4	0	177.6	-64.5	-176.3	169.2	0	0	112.1	K92	K92-E474 PolarHBondContact NZ-O 3.34Å; K92-E474 VanDerWaalsContact NZ-O 3.15Å; K92-E474 PolarHBondContact NZ-OXT 3.19Å

Retrieved 474 of 474 residues in 227.2 ms (Link to these results)

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