ZN664_HUMAN Loading...

Zinc finger protein 664

May be involved in transcriptional regulation.

AlphaFold DB , UniProt , Accession Q8N3J9, Species HUMAN (Homo sapiens, Human), Gene ZNF664, Length 261 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	83.5	Confident	90.2	Very high	187 Å²	187	107.5 Å²	107.5	92%	0.921	52%	0.515	S	S	*	.				0	133.3	0	-176.6	179.4	-78.8	0	0	107	Y3	M1-Y3 HydrophobicContact CG-CE1 4.46Å; M1-Y3 HydrophobicContact SD-CE1 3.96Å
2	I	89.9	Confident	90.4	Very high	126 Å²	126	101.8 Å²	101.8	65%	0.646	49%	0.487	S	S	*	.			trans	-103.4	128.7	179.5	-57.6	175.2	0	0	0	107.8	F11	I2-F11 HydrophobicContact CG2-CB 3.69Å; I2-F11 HydrophobicContact CG2-CD1 3.68Å; I2-F11 HydrophobicContact CG2-CG 4.1Å
3	Y	91.2	Very high	90.6	Very high	68 Å²	68	100.8 Å²	100.8	27%	0.267	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	128.4	-179.5	-59.7	-86.2	0	0	0	109.6	M1 F11 F12 R15	M1-Y3 HydrophobicContact CG-CE1 4.46Å; M1-Y3 HydrophobicContact SD-CE1 3.96Å; Y3-F11 CarbonylContact O-C 3.46Å; Y3-F11 WeakPolarHBondContact O-CA 3.43Å; Y3-F12 PolarHBondContact N-O 2.87Å; Y3-F12 PolarHBondContact O-N 3.45Å; Y3-R15 HydrophobicContact CD1-CB 4.29Å; Y3-R15 HydrophobicContact CD1-CG 4.46Å; Y3-R15 HydrophobicContact CD2-CB 4.44Å; Y3-R15 HydrophobicContact CE1-CB 4Å; Y3-R15 HydrophobicContact CE1-CG 4.33Å; Y3-R15 HydrophobicContact CE2-CB 4.17Å; Y3-R15 HydrophobicContact CG-CB 4.49Å
4	K	92.7	Very high	90.7	Very high	102 Å²	102	101.9 Å²	101.9	44%	0.443	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	130.5	-178	-173.9	-177.4	-177.5	178.1	0	110.5	R9 E10 F11	K4-R9 VanDerWaalsContact CE-CB 3.5Å; K4-E10 CarbonylContact C-O 3.59Å; K4-E10 WeakPolarHBondContact CA-O 3.32Å; K4-F11 HydrophobicContact CB-CD1 3.83Å; K4-F11 HydrophobicContact CB-CE1 3.8Å; K4-F11 HydrophobicContact CD-CD1 4.44Å; K4-F11 HydrophobicContact CD-CE1 3.64Å; K4-F11 HydrophobicContact CD-CZ 3.87Å; K4-F11 HydrophobicContact CG-CD1 3.95Å; K4-F11 HydrophobicContact CG-CE1 3.65Å; K4-F11 HydrophobicContact CG-CZ 4.1Å
5	C	91.1	Very high	90.7	Very high	0 Å²	0	107.3 Å²	107.3	0%	0	51%	0.513	C	S	.	.			trans	-68.1	125.1	171.9	179.1	0	0	0	0	110.7	M7 R9 E10 F12 L18 H21	C5-M7 VanDerWaalsContact C-N 3.29Å; C5-M7 PolarHBondContact O-N 3.49Å; C5-R9 WeakPolarHBondContact O-CA 3.22Å; C5-R9 PolarHBondContact O-N 3.19Å; C5-E10 PolarHBondContact N-O 3.05Å; C5-F12 HydrophobicContact CB-CE2 4.19Å; C5-L18 VanDerWaalsContact CA-CD1 3.48Å; C5-L18 HydrophobicContact CB-CD1 3.62Å; C5-H21 PolarHBondContact SG-CD2 2.8Å; C5-H21 PolarHBondContact SG-NE2 3.33Å
6	P	90.1	Very high	90.5	Very high	96 Å²	96	104.3 Å²	104.3	62%	0.623	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-26.1	-178.5	26.4	-33.1	0	0	0	113.2
7	M	88.6	Confident	90.3	Very high	133 Å²	133	102.4 Å²	102.4	66%	0.655	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-54.8	-175.8	-68.4	-86.4	-87.4	0	0	112.4	C5 H25	C5-M7 VanDerWaalsContact C-N 3.29Å; C5-M7 PolarHBondContact O-N 3.49Å; M7-H25 HydrophobicContact CE-CB 3.55Å; M7-H25 HydrophobicContact CG-CB 4.4Å
8	C	92.1	Very high	90.2	Very high	54 Å²	54	97.8 Å²	97.8	37%	0.365	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	-5.1	-175.4	67	0	0	0	0	114.3	E10 H21	C8-E10 PolarHBondContact O-N 3.46Å; C8-H21 PolarHBondContact SG-CE1 3.16Å; C8-H21 PolarHBondContact SG-NE2 3.22Å
9	R	88.7	Confident	90	Very high	177 Å²	177	98.7 Å²	98.7	67%	0.668	48%	0.483	S	S	*	.			trans	65.3	14.3	-179.2	-53.8	-179.7	174.1	-171.8	0.1	115.5	K4 C5 F11	K4-R9 VanDerWaalsContact CE-CB 3.5Å; C5-R9 WeakPolarHBondContact O-CA 3.22Å; C5-R9 PolarHBondContact O-N 3.19Å; R9-F11 WeakPolarHBondContact O-CD2 3.39Å; R9-F11 WeakPolarHBondContact O-CE2 3.25Å
10	E	91.1	Very high	89.6	Confident	106 Å²	106	96.5 Å²	96.5	50%	0.495	47%	0.472	S	S	.	.			trans	-64.4	153.3	167.1	-75.3	-172.8	169.7	0	0	111.7	K4 C5 C8 F12 H21	K4-E10 CarbonylContact C-O 3.59Å; K4-E10 WeakPolarHBondContact CA-O 3.32Å; C5-E10 PolarHBondContact N-O 3.05Å; C8-E10 PolarHBondContact O-N 3.46Å; E10-F12 HydrophobicContact CB-CE2 3.8Å; E10-F12 HydrophobicContact CB-CZ 4.02Å; E10-H21 IonicContact OE2-CE1 2.7Å; E10-H21 PolarHBondContact OE2-CE1 3.5Å; E10-H21 IonicContact OE2-ND1 3.12Å; E10-H21 PolarHBondContact OE2-ND1 3.14Å
11	F	93	Very high	89.3	Confident	133 Å²	133	92.9 Å²	92.9	58%	0.583	45%	0.454	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.3	140.8	-174.9	-65.4	-86.1	0	0	0	111.1	I2 Y3 K4 R9	I2-F11 HydrophobicContact CG2-CB 3.69Å; I2-F11 HydrophobicContact CG2-CD1 3.68Å; I2-F11 HydrophobicContact CG2-CG 4.1Å; Y3-F11 CarbonylContact O-C 3.46Å; Y3-F11 WeakPolarHBondContact O-CA 3.43Å; K4-F11 HydrophobicContact CB-CD1 3.83Å; K4-F11 HydrophobicContact CB-CE1 3.8Å; K4-F11 HydrophobicContact CD-CD1 4.44Å; K4-F11 HydrophobicContact CD-CE1 3.64Å; K4-F11 HydrophobicContact CD-CZ 3.87Å; K4-F11 HydrophobicContact CG-CD1 3.95Å; K4-F11 HydrophobicContact CG-CE1 3.65Å; K4-F11 HydrophobicContact CG-CZ 4.1Å; R9-F11 WeakPolarHBondContact O-CD2 3.39Å; R9-F11 WeakPolarHBondContact O-CE2 3.25Å
12	F	93.1	Very high	89.4	Confident	39 Å²	39	87.1 Å²	87.1	17%	0.171	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	142.8	-177.2	-60.7	-86.7	0	0	0	109.8	Y3 C5 E10 D17 L18 H21	Y3-F12 PolarHBondContact N-O 2.87Å; Y3-F12 PolarHBondContact O-N 3.45Å; C5-F12 HydrophobicContact CB-CE2 4.19Å; E10-F12 HydrophobicContact CB-CE2 3.8Å; E10-F12 HydrophobicContact CB-CZ 4.02Å; F12-D17 HydrophobicContact CB-CB 4.2Å; F12-D17 HydrophobicContact CD1-CB 3.76Å; F12-D17 HydrophobicContact CG-CB 4.29Å; F12-L18 HydrophobicContact CB-CB 4.18Å; F12-L18 HydrophobicContact CD2-CB 3.98Å; F12-L18 HydrophobicContact CD2-CD1 3.86Å; F12-L18 HydrophobicContact CE2-CD1 4.12Å; F12-L18 HydrophobicContact CG-CB 4.16Å; F12-H21 HydrophobicContact CE1-CB 3.88Å; F12-H21 HydrophobicContact CE2-CB 4Å; F12-H21 AromaticContact CE2-CD2 3.85Å; F12-H21 AromaticContact CE2-CG 3.7Å; F12-H21 HydrophobicContact CZ-CB 3.5Å; F12-H21 VanDerWaalsContact CZ-CB 3.5Å; F12-H21 AromaticContact CZ-CD2 3.89Å; F12-H21 AromaticContact CZ-CE1 3.95Å; F12-H21 AromaticContact CZ-CG 3.28Å; F12-H21 AromaticContact CZ-ND1 3.35Å; F12-H21 WeakPolarHBondContact CZ-ND1 3.35Å
13	S	92.5	Very high	89	Confident	89 Å²	89	83.3 Å²	83.3	62%	0.622	40%	0.404	S	S	*	.	S	Bend	trans	-74.2	-29.8	175.3	40.9	0	0	0	0	112.4
14	E	91.4	Very high	88.3	Confident	116 Å²	116	84 Å²	84	54%	0.542	41%	0.411	S	S	.	.	S	Bend	trans	-121.3	149.7	-176.8	-57.7	-170.3	-177.5	0	0	112.2	A16 D17 L18	E14-A16 VanDerWaalsContact C-N 3.33Å; E14-D17 PolarHBondContact O-N 3.14Å; E14-L18 PolarHBondContact O-N 3.42Å
15	R	91.5	Very high	87.9	Confident	184 Å²	184	82.2 Å²	82.2	69%	0.694	40%	0.404	S	S	*	.	H	α-helix	trans	-69.6	-32.5	178.5	-171	173.3	-177.7	147.6	0.3	112.1	Y3 L18 F19	Y3-R15 HydrophobicContact CD1-CB 4.29Å; Y3-R15 HydrophobicContact CD1-CG 4.46Å; Y3-R15 HydrophobicContact CD2-CB 4.44Å; Y3-R15 HydrophobicContact CE1-CB 4Å; Y3-R15 HydrophobicContact CE1-CG 4.33Å; Y3-R15 HydrophobicContact CE2-CB 4.17Å; Y3-R15 HydrophobicContact CG-CB 4.49Å; R15-L18 PolarHBondContact O-N 3.45Å; R15-F19 WeakPolarHBondContact O-CB 3.38Å; R15-F19 PolarHBondContact O-N 2.91Å
16	A	87	Confident	87.5	Confident	59 Å²	59	85.9 Å²	85.9	49%	0.488	43%	0.427	S	S	.	.	H	α-helix	trans	-63.1	-43	177.1	0	0	0	0	0	111.4	E14 F19 M20	E14-A16 VanDerWaalsContact C-N 3.33Å; A16-F19 PolarHBondContact O-N 3.09Å; A16-M20 PolarHBondContact O-N 3.43Å
17	D	87.7	Confident	86.8	Confident	72 Å²	72	84.6 Å²	84.6	39%	0.385	43%	0.425	S	S	.	.	H	α-helix	trans	-63.4	-44.6	176.4	-64	-29.5	0	0	0	111.9	F12 E14 F19 M20 H21	F12-D17 HydrophobicContact CB-CB 4.2Å; F12-D17 HydrophobicContact CD1-CB 3.76Å; F12-D17 HydrophobicContact CG-CB 4.29Å; E14-D17 PolarHBondContact O-N 3.14Å; D17-F19 VanDerWaalsContact C-N 3.31Å; D17-F19 PolarHBondContact O-N 2.79Å; D17-M20 PolarHBondContact O-N 3.36Å; D17-H21 VanDerWaalsContact O-CB 3.32Å; D17-H21 WeakPolarHBondContact O-CB 3.44Å; D17-H21 PolarHBondContact O-N 3.36Å
18	L	88.2	Confident	86.5	Confident	20 Å²	20	83.1 Å²	83.1	11%	0.105	42%	0.416	C	S	.	.	H	α-helix	trans	-58.7	-44.6	173.9	170.8	61.2	0	0	0	111.2	C5 F12 E14 R15 H21 Q22	C5-L18 VanDerWaalsContact CA-CD1 3.48Å; C5-L18 HydrophobicContact CB-CD1 3.62Å; F12-L18 HydrophobicContact CB-CB 4.18Å; F12-L18 HydrophobicContact CD2-CB 3.98Å; F12-L18 HydrophobicContact CD2-CD1 3.86Å; F12-L18 HydrophobicContact CE2-CD1 4.12Å; F12-L18 HydrophobicContact CG-CB 4.16Å; E14-L18 PolarHBondContact O-N 3.42Å; R15-L18 PolarHBondContact O-N 3.45Å; L18-H21 PolarHBondContact O-N 2.95Å; L18-Q22 HydrophobicContact CD1-CG 4.01Å; L18-Q22 HydrophobicContact CG-CG 4.45Å; L18-Q22 WeakPolarHBondContact O-CG 3.27Å; L18-Q22 PolarHBondContact O-N 2.98Å
19	F	86.2	Confident	86.2	Confident	114 Å²	114	85.2 Å²	85.2	50%	0.5	42%	0.419	S	S	.	.	H	α-helix	trans	-62.1	-45.4	179.6	176.9	-98.7	0	0	0	111.8	R15 A16 D17 Q22 K23	R15-F19 WeakPolarHBondContact O-CB 3.38Å; R15-F19 PolarHBondContact O-N 2.91Å; A16-F19 PolarHBondContact O-N 3.09Å; D17-F19 VanDerWaalsContact C-N 3.31Å; D17-F19 PolarHBondContact O-N 2.79Å; F19-Q22 PolarHBondContact O-N 3.16Å; F19-K23 PolarHBondContact O-N 3.18Å
20	M	81.5	Confident	86.1	Confident	54 Å²	54	80.3 Å²	80.3	27%	0.266	41%	0.41	S	S	.	.	H	α-helix	trans	-63.5	-42.3	175.5	-74	-56.2	-59.9	0	0	111.9	A16 D17 Q22 K23 F41	A16-M20 PolarHBondContact O-N 3.43Å; D17-M20 PolarHBondContact O-N 3.36Å; M20-Q22 VanDerWaalsContact C-N 3.31Å; M20-Q22 PolarHBondContact O-N 3.01Å; M20-K23 WeakPolarHBondContact O-CB 3.48Å; M20-K23 PolarHBondContact O-N 2.88Å; M20-F41 WeakPolarHBondContact CE-O 3.36Å
21	H	84.2	Confident	86	Confident	22 Å²	22	77.8 Å²	77.8	10%	0.102	40%	0.398	C	S	.	.	H	α-helix	trans	-59.3	-41.9	173.5	168.9	92.1	0	0	0	111.5	C5 C8 E10 F12 D17 L18 K23 I24 H25	C5-H21 PolarHBondContact SG-CD2 2.8Å; C5-H21 PolarHBondContact SG-NE2 3.33Å; C8-H21 PolarHBondContact SG-CE1 3.16Å; C8-H21 PolarHBondContact SG-NE2 3.22Å; E10-H21 IonicContact OE2-CE1 2.7Å; E10-H21 PolarHBondContact OE2-CE1 3.5Å; E10-H21 IonicContact OE2-ND1 3.12Å; E10-H21 PolarHBondContact OE2-ND1 3.14Å; F12-H21 HydrophobicContact CE1-CB 3.88Å; F12-H21 HydrophobicContact CE2-CB 4Å; F12-H21 AromaticContact CE2-CD2 3.85Å; F12-H21 AromaticContact CE2-CG 3.7Å; F12-H21 HydrophobicContact CZ-CB 3.5Å; F12-H21 VanDerWaalsContact CZ-CB 3.5Å; F12-H21 AromaticContact CZ-CD2 3.89Å; F12-H21 AromaticContact CZ-CE1 3.95Å; F12-H21 AromaticContact CZ-CG 3.28Å; F12-H21 AromaticContact CZ-ND1 3.35Å; F12-H21 WeakPolarHBondContact CZ-ND1 3.35Å; D17-H21 VanDerWaalsContact O-CB 3.32Å; D17-H21 WeakPolarHBondContact O-CB 3.44Å; D17-H21 PolarHBondContact O-N 3.36Å; L18-H21 PolarHBondContact O-N 2.95Å; H21-K23 PolarHBondContact O-N 3.36Å; H21-K23 VanDerWaalsContact O-N 3.09Å; H21-I24 WeakPolarHBondContact CE1-CD1 3.25Å; H21-I24 WeakPolarHBondContact ND1-CD1 3.4Å; H21-I24 WeakPolarHBondContact O-CG1 3.34Å; H21-I24 WeakPolarHBondContact O-CG2 3.44Å; H21-I24 PolarHBondContact O-N 3.3Å; H21-H25 AromaticContact CD2-NE2 3.71Å; H21-H25 AromaticContact CE1-NE2 3.79Å; H21-H25 AromaticContact NE2-CD2 3.82Å; H21-H25 AromaticContact NE2-CE1 3.96Å; H21-H25 AromaticContact NE2-NE2 2.97Å; H21-H25 PolarHBondContact NE2-NE2 3.17Å
22	Q	84.6	Confident	85.8	Confident	66 Å²	66	77.8 Å²	77.8	31%	0.308	40%	0.398	S	S	.	.	H	α-helix	trans	-59.7	-25	-179.8	-78.3	176.9	-30.6	0	0	113.6	L18 F19 M20 I24 H25 T26	L18-Q22 HydrophobicContact CD1-CG 4.01Å; L18-Q22 HydrophobicContact CG-CG 4.45Å; L18-Q22 WeakPolarHBondContact O-CG 3.27Å; L18-Q22 PolarHBondContact O-N 2.98Å; F19-Q22 PolarHBondContact O-N 3.16Å; M20-Q22 VanDerWaalsContact C-N 3.31Å; M20-Q22 PolarHBondContact O-N 3.01Å; Q22-I24 PolarHBondContact O-N 3.33Å; Q22-H25 WeakPolarHBondContact O-CB 3.44Å; Q22-H25 PolarHBondContact O-N 3.28Å; Q22-H25 VanDerWaalsContact O-N 3.13Å; Q22-T26 PolarHBondContact O-N 3.41Å
23	K	81.4	Confident	85.8	Confident	46 Å²	46	76 Å²	76	20%	0.2	39%	0.39	C	S	.	.	H	α-helix	trans	-65.2	-25.2	175.1	-60.2	-55	-170	175.3	0	113.6	F19 M20 H21 H25 T26 A27 E28 F41	F19-K23 PolarHBondContact O-N 3.18Å; M20-K23 WeakPolarHBondContact O-CB 3.48Å; M20-K23 PolarHBondContact O-N 2.88Å; H21-K23 PolarHBondContact O-N 3.36Å; H21-K23 VanDerWaalsContact O-N 3.09Å; K23-H25 PolarHBondContact O-N 2.88Å; K23-T26 PolarHBondContact O-N 3.21Å; K23-T26 PolarHBondContact O-OG1 3.23Å; K23-A27 PolarHBondContact O-N 2.89Å; K23-A27 VanDerWaalsContact O-N 3.13Å; K23-E28 HydrophobicContact CD-CB 4.42Å; K23-E28 IonicContact NZ-OE2 2.74Å; K23-E28 PolarHBondContact NZ-OE2 3.48Å; K23-F41 HydrophobicContact CB-CD1 4.48Å; K23-F41 WeakPolarHBondContact O-CE1 3.38Å
24	I	77.5	Confident	85.7	Confident	81 Å²	81	78.3 Å²	78.3	42%	0.415	40%	0.396	S	S	.	.	H	α-helix	trans	-64.6	-30.6	174.6	82.9	-166.8	0	0	0	111.4	H21 Q22	H21-I24 WeakPolarHBondContact CE1-CD1 3.25Å; H21-I24 WeakPolarHBondContact ND1-CD1 3.4Å; H21-I24 WeakPolarHBondContact O-CG1 3.34Å; H21-I24 WeakPolarHBondContact O-CG2 3.44Å; H21-I24 PolarHBondContact O-N 3.3Å; Q22-I24 PolarHBondContact O-N 3.33Å
25	H	84.3	Confident	85.6	Confident	65 Å²	65	79.2 Å²	79.2	30%	0.301	40%	0.398	S	S	.	.	H	α-helix	trans	-79.4	-30.4	-179.9	-63.5	-56.8	0	0	0	112.7	M7 H21 Q22 K23 A27	M7-H25 HydrophobicContact CE-CB 3.55Å; M7-H25 HydrophobicContact CG-CB 4.4Å; H21-H25 AromaticContact CD2-NE2 3.71Å; H21-H25 AromaticContact CE1-NE2 3.79Å; H21-H25 AromaticContact NE2-CD2 3.82Å; H21-H25 AromaticContact NE2-CE1 3.96Å; H21-H25 AromaticContact NE2-NE2 2.97Å; H21-H25 PolarHBondContact NE2-NE2 3.17Å; Q22-H25 WeakPolarHBondContact O-CB 3.44Å; Q22-H25 PolarHBondContact O-N 3.28Å; Q22-H25 VanDerWaalsContact O-N 3.13Å; K23-H25 PolarHBondContact O-N 2.88Å; H25-A27 VanDerWaalsContact C-N 3.32Å
26	T	82.6	Confident	85.7	Confident	77 Å²	77	72.7 Å²	72.7	47%	0.472	38%	0.38	S	S	.	.	H	α-helix	trans	-85.8	-6.9	176.5	62.3	0	0	0	0	112.8	Q22 K23 E28	Q22-T26 PolarHBondContact O-N 3.41Å; K23-T26 PolarHBondContact O-N 3.21Å; K23-T26 PolarHBondContact O-OG1 3.23Å; T26-E28 PolarHBondContact O-N 3.34Å; T26-E28 WeakPolarHBondContact OG1-CB 3.22Å; T26-E28 WeakPolarHBondContact OG1-CG 3.32Å; T26-E28 PolarHBondContact OG1-N 3.41Å
27	A	76.5	Confident	85.7	Confident	70 Å²	70	76.1 Å²	76.1	58%	0.579	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	13.9	-170	0	0	0	0	0	114.1	K23 H25 K29	K23-A27 PolarHBondContact O-N 2.89Å; K23-A27 VanDerWaalsContact O-N 3.13Å; H25-A27 VanDerWaalsContact C-N 3.32Å; A27-K29 PolarHBondContact O-N 3.2Å
28	E	82.5	Confident	85.9	Confident	102 Å²	102	78.5 Å²	78.5	48%	0.477	40%	0.397	S	S	.	.			trans	-71.9	124.4	175.7	-73	178.8	175.1	0	0	109.4	K23 T26 P30 F41	K23-E28 HydrophobicContact CD-CB 4.42Å; K23-E28 IonicContact NZ-OE2 2.74Å; K23-E28 PolarHBondContact NZ-OE2 3.48Å; T26-E28 PolarHBondContact O-N 3.34Å; T26-E28 WeakPolarHBondContact OG1-CB 3.22Å; T26-E28 WeakPolarHBondContact OG1-CG 3.32Å; T26-E28 PolarHBondContact OG1-N 3.41Å; E28-P30 VanDerWaalsContact O-CD 3.32Å; E28-P30 WeakPolarHBondContact O-CD 2.96Å; E28-F41 WeakPolarHBondContact O-CD1 3.34Å; E28-F41 WeakPolarHBondContact O-CE1 3.27Å
29	K	85.6	Confident	85.9	Confident	97 Å²	97	78.4 Å²	78.4	42%	0.422	40%	0.4	S	S	.	.			trans	-113	91.9	-179.5	-61.7	-165.6	-171.1	178	0	110	A27 H31 G39 F40 F41	A27-K29 PolarHBondContact O-N 3.2Å; K29-H31 VanDerWaalsContact C-N 3.28Å; K29-H31 PolarHBondContact O-N 3.1Å; K29-G39 WeakPolarHBondContact CD-O 3.33Å; K29-F40 CarbonylContact C-O 3.53Å; K29-F41 HydrophobicContact CD-CE2 4.34Å; K29-F41 HydrophobicContact CD-CZ 4.39Å; K29-F41 HydrophobicContact CG-CD1 4.18Å; K29-F41 HydrophobicContact CG-CE1 3.88Å; K29-F41 HydrophobicContact CG-CE2 4.32Å; K29-F41 HydrophobicContact CG-CZ 3.97Å
30	P	84.7	Confident	86.1	Confident	75 Å²	75	74.6 Å²	74.6	49%	0.487	38%	0.384	S	S	.	.			trans	-68.4	-25.2	-169.8	24.7	-32.8	0	0	0	113.5	E28	E28-P30 VanDerWaalsContact O-CD 3.32Å; E28-P30 WeakPolarHBondContact O-CD 2.96Å
31	H	89.1	Confident	86.3	Confident	53 Å²	53	74.3 Å²	74.3	25%	0.245	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	103.8	-177.6	-57.1	-67.3	0	0	0	110	K29 G39 F40 F41 H42 I43 L46	K29-H31 VanDerWaalsContact C-N 3.28Å; K29-H31 PolarHBondContact O-N 3.1Å; H31-G39 CarbonylContact O-C 3.57Å; H31-G39 WeakPolarHBondContact O-CA 3.44Å; H31-F40 HydrophobicContact CB-CB 4.4Å; H31-F40 PolarHBondContact N-O 2.77Å; H31-F40 PolarHBondContact O-N 3.35Å; H31-F41 PolarHBondContact CD2-O 3.43Å; H31-H42 VanDerWaalsContact CD2-C 3.47Å; H31-I43 PolarHBondContact CD2-N 3.45Å; H31-I43 VanDerWaalsContact CD2-N 3.31Å; H31-L46 HydrophobicContact CB-CB 4.25Å; H31-L46 HydrophobicContact CB-CD2 3.92Å
32	K	90.3	Very high	86.4	Confident	133 Å²	133	77.2 Å²	77.2	58%	0.578	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.1	146.7	-179.9	-64	-176.9	-179.3	-179.2	0	111.3	K38 L46	K32-K38 CarbonylContact C-O 3.53Å; K32-K38 WeakPolarHBondContact CA-O 3.49Å; K32-L46 WeakPolarHBondContact O-CD2 3.17Å
33	C	92.4	Very high	86.5	Confident	0 Å²	0	78.4 Å²	78.4	0%	0	40%	0.402	C	S	.	.			trans	-86	118.5	171.6	179.2	0	0	0	0	110.4	K35 C36 D37 K38 F40 L46 H53	C33-K35 PolarHBondContact O-N 2.93Å; C33-K35 VanDerWaalsContact O-N 3.08Å; C33-C36 PolarHBondContact O-N 3.43Å; C33-D37 VanDerWaalsContact O-CA 3.25Å; C33-D37 WeakPolarHBondContact O-CA 3.45Å; C33-D37 PolarHBondContact O-N 3.21Å; C33-K38 PolarHBondContact N-O 3.31Å; C33-F40 HydrophobicContact CB-CE2 4.4Å; C33-L46 HydrophobicContact CB-CD1 3.67Å; C33-H53 PolarHBondContact SG-NE2 2.97Å
34	D	90.5	Very high	86.9	Confident	139 Å²	139	79.4 Å²	79.4	74%	0.743	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-18.5	-177.8	-54	-33.5	0	0	0	114.2
35	K	90.2	Very high	87.5	Confident	135 Å²	135	79.2 Å²	79.2	59%	0.587	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-24.9	-177.8	-172.6	166	177.1	176	0	113.9	C33 H53	C33-K35 PolarHBondContact O-N 2.93Å; C33-K35 VanDerWaalsContact O-N 3.08Å; K35-H53 HydrophobicContact CD-CB 4.07Å
36	C	93.2	Very high	87.8	Confident	47 Å²	47	76.9 Å²	76.9	32%	0.318	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-143.4	11.5	-176.8	70.7	0	0	0	0	114.9	C33 K38 H49 H53	C33-C36 PolarHBondContact O-N 3.43Å; C36-K38 PolarHBondContact O-N 2.98Å; C36-H49 PolarHBondContact SG-NE2 3.36Å; C36-H53 PolarHBondContact SG-NE2 2.9Å; C36-H53 VanDerWaalsContact SG-NE2 3.44Å
37	D	86.4	Confident	88.2	Confident	130 Å²	130	78.8 Å²	78.8	70%	0.695	41%	0.405	S	S	*	.			trans	55	12.8	-179.8	-66.5	-39.3	0	0	0	115.8	C33 G39	C33-D37 VanDerWaalsContact O-CA 3.25Å; C33-D37 WeakPolarHBondContact O-CA 3.45Å; C33-D37 PolarHBondContact O-N 3.21Å; D37-G39 PolarHBondContact O-N 3.49Å
38	K	91.4	Very high	88.8	Confident	123 Å²	123	79 Å²	79	54%	0.535	40%	0.396	S	S	.	.			trans	-67.2	122.9	174.7	-75.9	-176.6	-177.8	176.1	0	110.1	K32 C33 C36 F40	K32-K38 CarbonylContact C-O 3.53Å; K32-K38 WeakPolarHBondContact CA-O 3.49Å; C33-K38 PolarHBondContact N-O 3.31Å; C36-K38 PolarHBondContact O-N 2.98Å; K38-F40 HydrophobicContact CB-CE2 3.88Å; K38-F40 HydrophobicContact CB-CZ 4.06Å; K38-F40 WeakPolarHBondContact O-CD2 3.42Å; K38-F40 VanDerWaalsContact O-CE2 3.26Å; K38-F40 WeakPolarHBondContact O-CE2 3.33Å
39	G	88.7	Confident	89.2	Confident	17 Å²	17	74.8 Å²	74.8	18%	0.175	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	149	173	0	0	0	0	0	113.1	K29 H31 D37	K29-G39 WeakPolarHBondContact CD-O 3.33Å; H31-G39 CarbonylContact O-C 3.57Å; H31-G39 WeakPolarHBondContact O-CA 3.44Å; D37-G39 PolarHBondContact O-N 3.49Å
40	F	90.4	Very high	89.3	Confident	35 Å²	35	74.4 Å²	74.4	15%	0.154	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	153.6	175.6	-60.5	-85.6	0	0	0	111	K29 H31 C33 K38 E45 L46 H49	K29-F40 CarbonylContact C-O 3.53Å; H31-F40 HydrophobicContact CB-CB 4.4Å; H31-F40 PolarHBondContact N-O 2.77Å; H31-F40 PolarHBondContact O-N 3.35Å; C33-F40 HydrophobicContact CB-CE2 4.4Å; K38-F40 HydrophobicContact CB-CE2 3.88Å; K38-F40 HydrophobicContact CB-CZ 4.06Å; K38-F40 WeakPolarHBondContact O-CD2 3.42Å; K38-F40 VanDerWaalsContact O-CE2 3.26Å; K38-F40 WeakPolarHBondContact O-CE2 3.33Å; F40-E45 HydrophobicContact CB-CB 4Å; F40-E45 HydrophobicContact CD1-CB 3.71Å; F40-E45 HydrophobicContact CG-CB 4.13Å; F40-L46 HydrophobicContact CB-CB 4.24Å; F40-L46 HydrophobicContact CD2-CB 3.85Å; F40-L46 HydrophobicContact CD2-CD1 3.72Å; F40-L46 HydrophobicContact CD2-CG 4.37Å; F40-L46 HydrophobicContact CE2-CD1 3.88Å; F40-L46 HydrophobicContact CG-CB 4.16Å; F40-H49 HydrophobicContact CE1-CB 3.77Å; F40-H49 HydrophobicContact CE2-CB 3.86Å; F40-H49 AromaticContact CE2-CD2 3.3Å; F40-H49 WeakPolarHBondContact CE2-CD2 3.5Å; F40-H49 AromaticContact CE2-CG 3.62Å; F40-H49 HydrophobicContact CZ-CB 3.33Å; F40-H49 AromaticContact CZ-CD2 3.33Å; F40-H49 WeakPolarHBondContact CZ-CD2 3.34Å; F40-H49 AromaticContact CZ-CG 3.15Å; F40-H49 AromaticContact CZ-ND1 3.77Å; F40-H49 AromaticContact CZ-NE2 3.98Å
41	F	86.1	Confident	89.6	Confident	47 Å²	47	73.4 Å²	73.4	21%	0.206	36%	0.359	C	S	.	.	S	Bend	trans	-80.7	-36.4	178.9	-68.2	-72.8	0	0	0	111.2	M20 K23 E28 K29 H31 E45	M20-F41 WeakPolarHBondContact CE-O 3.36Å; K23-F41 HydrophobicContact CB-CD1 4.48Å; K23-F41 WeakPolarHBondContact O-CE1 3.38Å; E28-F41 WeakPolarHBondContact O-CD1 3.34Å; E28-F41 WeakPolarHBondContact O-CE1 3.27Å; K29-F41 HydrophobicContact CD-CE2 4.34Å; K29-F41 HydrophobicContact CD-CZ 4.39Å; K29-F41 HydrophobicContact CG-CD1 4.18Å; K29-F41 HydrophobicContact CG-CE1 3.88Å; K29-F41 HydrophobicContact CG-CE2 4.32Å; K29-F41 HydrophobicContact CG-CZ 3.97Å; H31-F41 PolarHBondContact CD2-O 3.43Å; F41-E45 PolarHBondContact N-OE2 3.03Å; F41-E45 VanDerWaalsContact N-OE2 3.16Å
42	H	85.5	Confident	89.4	Confident	83 Å²	83	75.5 Å²	75.5	38%	0.384	37%	0.372	S	S	.	.	S	Bend	trans	-118	146	178.1	-59.7	-77	0	0	0	111.9	H31 S44 E45 L46	H31-H42 VanDerWaalsContact CD2-C 3.47Å; H42-S44 PolarHBondContact O-N 2.9Å; H42-E45 HydrophobicContact CB-CG 4.18Å; H42-E45 PolarHBondContact N-OE2 3.19Å; H42-E45 WeakPolarHBondContact O-CB 3.48Å; H42-E45 PolarHBondContact O-N 3.08Å; H42-E45 VanDerWaalsContact O-N 3.13Å; H42-L46 PolarHBondContact O-N 3.24Å
43	I	88.3	Confident	89.5	Confident	92 Å²	92	71.8 Å²	71.8	47%	0.472	36%	0.356	S	S	.	.	H	α-helix	trans	-60.9	-31.4	176.5	-165.8	166.5	0	0	0	112.6	H31 E45 L46 H47	H31-I43 PolarHBondContact CD2-N 3.45Å; H31-I43 VanDerWaalsContact CD2-N 3.31Å; I43-E45 VanDerWaalsContact C-N 3.33Å; I43-E45 PolarHBondContact O-N 2.92Å; I43-L46 WeakPolarHBondContact O-CB 3.35Å; I43-L46 PolarHBondContact O-N 3.4Å; I43-H47 PolarHBondContact O-N 2.77Å
44	S	88	Confident	89.4	Confident	67 Å²	67	76.1 Å²	76.1	47%	0.469	38%	0.383	S	S	.	.	H	α-helix	trans	-63.9	-37.3	176	54.6	0	0	0	0	112.3	H42 H47 I48	H42-S44 PolarHBondContact O-N 2.9Å; S44-H47 PolarHBondContact O-N 3.17Å; S44-I48 WeakPolarHBondContact O-CB 3.29Å; S44-I48 VanDerWaalsContact O-CG1 3.28Å; S44-I48 WeakPolarHBondContact O-CG1 3.42Å; S44-I48 PolarHBondContact O-N 3.07Å
45	E	90.3	Very high	89.3	Confident	76 Å²	76	71.9 Å²	71.9	36%	0.355	37%	0.372	S	S	.	.	H	α-helix	trans	-66.5	-41.1	174.6	-61.8	177	152	0	0	111.1	F40 F41 H42 I43 I48 H49	F40-E45 HydrophobicContact CB-CB 4Å; F40-E45 HydrophobicContact CD1-CB 3.71Å; F40-E45 HydrophobicContact CG-CB 4.13Å; F41-E45 PolarHBondContact N-OE2 3.03Å; F41-E45 VanDerWaalsContact N-OE2 3.16Å; H42-E45 HydrophobicContact CB-CG 4.18Å; H42-E45 PolarHBondContact N-OE2 3.19Å; H42-E45 WeakPolarHBondContact O-CB 3.48Å; H42-E45 PolarHBondContact O-N 3.08Å; H42-E45 VanDerWaalsContact O-N 3.13Å; I43-E45 VanDerWaalsContact C-N 3.33Å; I43-E45 PolarHBondContact O-N 2.92Å; E45-I48 PolarHBondContact O-N 3.18Å; E45-H49 VanDerWaalsContact O-CB 3.29Å; E45-H49 WeakPolarHBondContact O-CB 3.49Å; E45-H49 PolarHBondContact O-N 2.92Å
46	L	91.3	Very high	89.3	Confident	17 Å²	17	70.1 Å²	70.1	9%	0.089	37%	0.366	C	S	.	.	H	α-helix	trans	-61.3	-47.8	173.7	174.5	60.1	0	0	0	110.9	H31 K32 C33 F40 H42 I43 I48 H49 W50	H31-L46 HydrophobicContact CB-CB 4.25Å; H31-L46 HydrophobicContact CB-CD2 3.92Å; K32-L46 WeakPolarHBondContact O-CD2 3.17Å; C33-L46 HydrophobicContact CB-CD1 3.67Å; F40-L46 HydrophobicContact CB-CB 4.24Å; F40-L46 HydrophobicContact CD2-CB 3.85Å; F40-L46 HydrophobicContact CD2-CD1 3.72Å; F40-L46 HydrophobicContact CD2-CG 4.37Å; F40-L46 HydrophobicContact CE2-CD1 3.88Å; F40-L46 HydrophobicContact CG-CB 4.16Å; H42-L46 PolarHBondContact O-N 3.24Å; I43-L46 WeakPolarHBondContact O-CB 3.35Å; I43-L46 PolarHBondContact O-N 3.4Å; L46-I48 VanDerWaalsContact C-N 3.33Å; L46-I48 PolarHBondContact O-N 3.04Å; L46-H49 CarbonylContact O-C 3.47Å; L46-H49 WeakPolarHBondContact O-CB 3.47Å; L46-H49 PolarHBondContact O-N 3.11Å; L46-H49 VanDerWaalsContact O-N 3.12Å; L46-W50 VanDerWaalsContact O-CD1 3.24Å; L46-W50 PolarHBondContact O-N 3.43Å
47	H	90.8	Very high	89.1	Confident	117 Å²	117	74 Å²	74	54%	0.542	38%	0.377	S	S	.	.	H	α-helix	trans	-59.4	-41.8	176.2	-75.4	170.7	0	0	0	112.6	I43 S44 H49 W50	I43-H47 PolarHBondContact O-N 2.77Å; S44-H47 PolarHBondContact O-N 3.17Å; H47-H49 VanDerWaalsContact C-N 3.34Å; H47-W50 PolarHBondContact O-N 3.29Å
48	I	88.7	Confident	89.3	Confident	73 Å²	73	71.2 Å²	71.2	37%	0.374	37%	0.365	S	S	.	.	H	α-helix	trans	-63.7	-42.8	174.3	-72.5	166.7	0	0	0	110.6	S44 E45 L46 W50 R51 T70	S44-I48 WeakPolarHBondContact O-CB 3.29Å; S44-I48 VanDerWaalsContact O-CG1 3.28Å; S44-I48 WeakPolarHBondContact O-CG1 3.42Å; S44-I48 PolarHBondContact O-N 3.07Å; E45-I48 PolarHBondContact O-N 3.18Å; L46-I48 VanDerWaalsContact C-N 3.33Å; L46-I48 PolarHBondContact O-N 3.04Å; I48-W50 VanDerWaalsContact C-N 3.33Å; I48-W50 PolarHBondContact O-N 3.29Å; I48-R51 VanDerWaalsContact O-CB 3.28Å; I48-R51 WeakPolarHBondContact O-CB 3.46Å; I48-R51 PolarHBondContact O-N 2.79Å; I48-T70 HydrophobicContact CB-CG2 4.46Å; I48-T70 HydrophobicContact CD1-CG2 4.49Å; I48-T70 HydrophobicContact CG1-CG2 4.39Å; I48-T70 HydrophobicContact CG2-CG2 3.32Å
49	H	90.7	Very high	89.4	Confident	14 Å²	14	69.1 Å²	69.1	7%	0.065	35%	0.354	C	S	.	.	H	α-helix	trans	-63.4	-37.1	177.8	168.1	60.9	0	0	0	112.7	C36 F40 E45 L46 H47 R51 D52 H53	C36-H49 PolarHBondContact SG-NE2 3.36Å; F40-H49 HydrophobicContact CE1-CB 3.77Å; F40-H49 HydrophobicContact CE2-CB 3.86Å; F40-H49 AromaticContact CE2-CD2 3.3Å; F40-H49 WeakPolarHBondContact CE2-CD2 3.5Å; F40-H49 AromaticContact CE2-CG 3.62Å; F40-H49 HydrophobicContact CZ-CB 3.33Å; F40-H49 AromaticContact CZ-CD2 3.33Å; F40-H49 WeakPolarHBondContact CZ-CD2 3.34Å; F40-H49 AromaticContact CZ-CG 3.15Å; F40-H49 AromaticContact CZ-ND1 3.77Å; F40-H49 AromaticContact CZ-NE2 3.98Å; E45-H49 VanDerWaalsContact O-CB 3.29Å; E45-H49 WeakPolarHBondContact O-CB 3.49Å; E45-H49 PolarHBondContact O-N 2.92Å; L46-H49 CarbonylContact O-C 3.47Å; L46-H49 WeakPolarHBondContact O-CB 3.47Å; L46-H49 PolarHBondContact O-N 3.11Å; L46-H49 VanDerWaalsContact O-N 3.12Å; H47-H49 VanDerWaalsContact C-N 3.34Å; H49-R51 PolarHBondContact O-N 3.07Å; H49-R51 VanDerWaalsContact O-N 3.09Å; H49-D52 IonicContact ND1-OD2 3.33Å; H49-D52 VanDerWaalsContact O-CB 3.28Å; H49-D52 WeakPolarHBondContact O-CB 3.44Å; H49-D52 PolarHBondContact O-N 3.24Å; H49-H53 AromaticContact CE1-NE2 3.84Å; H49-H53 AromaticContact NE2-CD2 3.98Å; H49-H53 AromaticContact NE2-NE2 3.43Å; H49-H53 PolarHBondContact NE2-NE2 3.45Å
50	W	88.1	Confident	89.7	Confident	90 Å²	90	73.4 Å²	73.4	34%	0.341	37%	0.368	S	S	.	.	H	α-helix	trans	-54.9	-29.1	174.7	-93.4	99.5	0	0	0	112.8	L46 H47 I48 D52 H53 T54	L46-W50 VanDerWaalsContact O-CD1 3.24Å; L46-W50 PolarHBondContact O-N 3.43Å; H47-W50 PolarHBondContact O-N 3.29Å; I48-W50 VanDerWaalsContact C-N 3.33Å; I48-W50 PolarHBondContact O-N 3.29Å; W50-D52 PolarHBondContact O-N 2.94Å; W50-H53 WeakPolarHBondContact O-CB 3.32Å; W50-H53 PolarHBondContact O-N 3.49Å; W50-T54 PolarHBondContact O-N 2.89Å; W50-T54 VanDerWaalsContact O-N 3.12Å
51	R	90.5	Very high	89.9	Confident	54 Å²	54	71.8 Å²	71.8	20%	0.204	36%	0.361	C	S	.	.	H	α-helix	trans	-63.7	-26	173.7	-59.7	-178.8	171.6	159.6	2.4	113.5	I48 H49 H53 T54 G55 E56 S69	I48-R51 VanDerWaalsContact O-CB 3.28Å; I48-R51 WeakPolarHBondContact O-CB 3.46Å; I48-R51 PolarHBondContact O-N 2.79Å; H49-R51 PolarHBondContact O-N 3.07Å; H49-R51 VanDerWaalsContact O-N 3.09Å; R51-H53 PolarHBondContact O-N 3.1Å; R51-T54 WeakPolarHBondContact CA-OG1 3.35Å; R51-G55 WeakPolarHBondContact O-CA 3.3Å; R51-G55 PolarHBondContact O-N 3.37Å; R51-E56 HydrophobicContact CB-CB 4.4Å; R51-E56 HydrophobicContact CG-CB 4.33Å; R51-E56 IonicContact NE-OE2 3.65Å; R51-E56 PolarHBondContact O-N 3.19Å; R51-S69 WeakPolarHBondContact CD-O 3.4Å; R51-S69 PolarHBondContact NH1-O 2.84Å
52	D	86.7	Confident	90.3	Very high	97 Å²	97	75.6 Å²	75.6	52%	0.519	38%	0.383	S	S	.	.	H	α-helix	trans	-70.1	-23.3	173.8	-62.4	-27.2	0	0	0	111.4	H49 W50 K73	H49-D52 IonicContact ND1-OD2 3.33Å; H49-D52 VanDerWaalsContact O-CB 3.28Å; H49-D52 WeakPolarHBondContact O-CB 3.44Å; H49-D52 PolarHBondContact O-N 3.24Å; W50-D52 PolarHBondContact O-N 2.94Å; D52-K73 IonicContact OD1-NZ 3.77Å
53	H	91.9	Very high	90.6	Very high	54 Å²	54	77 Å²	77	25%	0.25	39%	0.394	C	S	.	.	H	α-helix	trans	-85.9	-37.8	174.2	-70	-52.4	0	0	0	113.6	C33 K35 C36 H49 W50 R51	C33-H53 PolarHBondContact SG-NE2 2.97Å; K35-H53 HydrophobicContact CD-CB 4.07Å; C36-H53 PolarHBondContact SG-NE2 2.9Å; C36-H53 VanDerWaalsContact SG-NE2 3.44Å; H49-H53 AromaticContact CE1-NE2 3.84Å; H49-H53 AromaticContact NE2-CD2 3.98Å; H49-H53 AromaticContact NE2-NE2 3.43Å; H49-H53 PolarHBondContact NE2-NE2 3.45Å; W50-H53 WeakPolarHBondContact O-CB 3.32Å; W50-H53 PolarHBondContact O-N 3.49Å; R51-H53 PolarHBondContact O-N 3.1Å
54	T	90.6	Very high	90.9	Very high	92 Å²	92	75.3 Å²	75.3	56%	0.564	39%	0.389	S	S	*	.	H	α-helix	trans	-83.1	-19.8	179.4	61.4	0	0	0	0	112.3	W50 R51 E56	W50-T54 PolarHBondContact O-N 2.89Å; W50-T54 VanDerWaalsContact O-N 3.12Å; R51-T54 WeakPolarHBondContact CA-OG1 3.35Å; T54-E56 PolarHBondContact O-N 3.4Å; T54-E56 VanDerWaalsContact OG1-CB 3.26Å; T54-E56 WeakPolarHBondContact OG1-CB 3.49Å; T54-E56 PolarHBondContact OG1-N 2.98Å
55	G	87.5	Confident	91	Very high	50 Å²	50	73.9 Å²	73.9	52%	0.515	39%	0.385	S	S	.	.			trans	74.1	9.4	-171.7	0	0	0	0	0	113.4	R51 K57	R51-G55 WeakPolarHBondContact O-CA 3.3Å; R51-G55 PolarHBondContact O-N 3.37Å; G55-K57 PolarHBondContact O-N 3.42Å
56	E	90	Very high	91.2	Very high	98 Å²	98	76.1 Å²	76.1	46%	0.458	39%	0.394	S	S	.	.			trans	-64.5	126.4	-175.4	-167.5	-170.8	-175.8	0	0	111.6	R51 T54 V58 S69	R51-E56 HydrophobicContact CB-CB 4.4Å; R51-E56 HydrophobicContact CG-CB 4.33Å; R51-E56 IonicContact NE-OE2 3.65Å; R51-E56 PolarHBondContact O-N 3.19Å; T54-E56 PolarHBondContact O-N 3.4Å; T54-E56 VanDerWaalsContact OG1-CB 3.26Å; T54-E56 WeakPolarHBondContact OG1-CB 3.49Å; T54-E56 PolarHBondContact OG1-N 2.98Å; E56-V58 HydrophobicContact CG-CG1 3.75Å; E56-V58 VanDerWaalsContact OE1-CG1 3.26Å; E56-V58 WeakPolarHBondContact OE1-CG1 3.4Å; E56-S69 WeakPolarHBondContact O-CB 3.23Å
57	K	90.2	Very high	91.3	Very high	129 Å²	129	78.1 Å²	78.1	56%	0.561	40%	0.404	S	S	*	.			trans	-130	86.6	-178.6	-69.3	169.4	173.7	-177.1	0	109.7	G55 D67 F68	G55-K57 PolarHBondContact O-N 3.42Å; K57-D67 HydrophobicContact CB-CB 3.51Å; K57-D67 HydrophobicContact CD-CB 4.11Å; K57-D67 WeakPolarHBondContact CD-O 3.47Å; K57-D67 HydrophobicContact CG-CB 4.43Å; K57-F68 CarbonylContact C-O 3.22Å; K57-F68 WeakPolarHBondContact CA-O 3.4Å
58	V	90.6	Very high	91.4	Very high	71 Å²	71	74.3 Å²	74.3	43%	0.43	39%	0.387	S	S	.	.			trans	-82.8	-13.7	-173.5	-57.7	0	0	0	0	114.3	E56 F68	E56-V58 HydrophobicContact CG-CG1 3.75Å; E56-V58 VanDerWaalsContact OE1-CG1 3.26Å; E56-V58 WeakPolarHBondContact OE1-CG1 3.4Å; V58-F68 PolarHBondContact N-O 3.34Å
59	Y	92.2	Very high	91.5	Very high	78 Å²	78	71.3 Å²	71.3	31%	0.306	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	106.4	-176.8	-57.7	-76	0	0	0	110.8	D67 F68 T70 T71	Y59-D67 CarbonylContact O-C 3.54Å; Y59-D67 WeakPolarHBondContact O-CA 3.31Å; Y59-F68 PolarHBondContact N-O 3.4Å; Y59-F68 PolarHBondContact O-N 2.87Å; Y59-T70 VanDerWaalsContact CD2-CA 3.48Å; Y59-T71 WeakPolarHBondContact CE1-OG1 3.5Å; Y59-T71 VanDerWaalsContact CZ-OG1 3.24Å
60	K	94.8	Very high	91.5	Very high	108 Å²	108	71.3 Å²	71.3	47%	0.47	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	142.1	177.6	-173.5	172.5	-65.4	-63.3	0	111.2	G65 D67	K60-G65 PolarHBondContact NZ-O 2.74Å; K60-D67 WeakPolarHBondContact CA-OD1 3.49Å; K60-D67 WeakPolarHBondContact CB-OD1 3.37Å; K60-D67 WeakPolarHBondContact CE-OD1 3.44Å; K60-D67 WeakPolarHBondContact CG-OD1 3.28Å; K60-D67 VanDerWaalsContact NZ-CG 3.29Å; K60-D67 IonicContact NZ-OD1 2.92Å; K60-D67 PolarHBondContact NZ-OD1 3.27Å; K60-D67 IonicContact NZ-OD2 3.09Å; K60-D67 PolarHBondContact NZ-OD2 2.79Å; K60-D67 VanDerWaalsContact NZ-OD2 3.12Å
61	C	95.3	Very high	91.7	Very high	0 Å²	0	69.9 Å²	69.9	0%	0	37%	0.374	C	S	.	.			trans	-86.7	119.4	167.6	-176.3	0	0	0	0	109.9	D63 C64 G65 K66 F68 L74 H77 H81	C61-D63 VanDerWaalsContact C-N 3.29Å; C61-D63 PolarHBondContact O-N 2.83Å; C61-C64 PolarHBondContact O-N 3.44Å; C61-G65 VanDerWaalsContact O-CA 3.23Å; C61-G65 WeakPolarHBondContact O-CA 3.33Å; C61-G65 PolarHBondContact O-N 3.27Å; C61-K66 WeakPolarHBondContact CB-O 3.29Å; C61-K66 PolarHBondContact N-O 2.79Å; C61-F68 HydrophobicContact CB-CE2 4.08Å; C61-L74 HydrophobicContact CB-CD1 3.62Å; C61-H77 VanDerWaalsContact SG-CD2 3.55Å; C61-H81 VanDerWaalsContact SG-CD2 3.51Å; C61-H81 PolarHBondContact SG-NE2 2.73Å
62	D	94	Very high	91.8	Very high	128 Å²	128	72.4 Å²	72.4	68%	0.684	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-34.3	-176.8	-49.2	-52.1	0	0	0	112.3	C64 K78	D62-C64 PolarHBondContact O-N 3.47Å; D62-K78 IonicContact OD2-NZ 3.68Å
63	D	92.1	Very high	92	Very high	112 Å²	112	71.5 Å²	71.5	60%	0.599	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-27.4	-176	-51.8	-52.3	0	0	0	114.8	C61 H81	C61-D63 VanDerWaalsContact C-N 3.29Å; C61-D63 PolarHBondContact O-N 2.83Å; D63-H81 HydrophobicContact CB-CB 4.26Å; D63-H81 IonicContact OD2-CD2 3.89Å; D63-H81 PolarHBondContact OD2-CD2 3.41Å; D63-H81 VanDerWaalsContact OD2-CD2 3.28Å; D63-H81 IonicContact OD2-CG 3.91Å
64	C	93.9	Very high	92	Very high	56 Å²	56	69.5 Å²	69.5	38%	0.378	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.4	5.6	-175.5	72.4	0	0	0	0	115.1	C61 D62 K66 H77 H81	C61-C64 PolarHBondContact O-N 3.44Å; D62-C64 PolarHBondContact O-N 3.47Å; C64-K66 PolarHBondContact O-N 2.8Å; C64-K66 VanDerWaalsContact O-N 3.1Å; C64-H77 PolarHBondContact SG-NE2 3.36Å; C64-H81 PolarHBondContact SG-CE1 3.25Å; C64-H81 PolarHBondContact SG-NE2 3.32Å; C64-H81 VanDerWaalsContact SG-NE2 3.4Å
65	G	91.6	Very high	92.1	Very high	37 Å²	37	69.3 Å²	69.3	38%	0.381	37%	0.374	S	S	.	.			trans	70.1	0.4	177.5	0	0	0	0	0	115.9	K60 C61	K60-G65 PolarHBondContact NZ-O 2.74Å; C61-G65 VanDerWaalsContact O-CA 3.23Å; C61-G65 WeakPolarHBondContact O-CA 3.33Å; C61-G65 PolarHBondContact O-N 3.27Å
66	K	93.1	Very high	92.3	Very high	123 Å²	123	74.1 Å²	74.1	54%	0.535	38%	0.376	S	S	.	.			trans	-69.6	136.6	-179.4	-73.5	-178.2	-176.8	176.4	0	111.7	C61 C64 F68	C61-K66 WeakPolarHBondContact CB-O 3.29Å; C61-K66 PolarHBondContact N-O 2.79Å; C64-K66 PolarHBondContact O-N 2.8Å; C64-K66 VanDerWaalsContact O-N 3.1Å; K66-F68 HydrophobicContact CB-CE2 3.85Å; K66-F68 HydrophobicContact CB-CZ 4.05Å; K66-F68 WeakPolarHBondContact O-CD2 3.16Å; K66-F68 VanDerWaalsContact O-CE2 3.25Å; K66-F68 WeakPolarHBondContact O-CE2 3.34Å
67	D	94.2	Very high	92.4	Very high	59 Å²	59	70.4 Å²	70.4	32%	0.316	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	147.2	-178.4	-55.8	-44.6	0	0	0	112.8	K57 Y59 K60	K57-D67 HydrophobicContact CB-CB 3.51Å; K57-D67 HydrophobicContact CD-CB 4.11Å; K57-D67 WeakPolarHBondContact CD-O 3.47Å; K57-D67 HydrophobicContact CG-CB 4.43Å; Y59-D67 CarbonylContact O-C 3.54Å; Y59-D67 WeakPolarHBondContact O-CA 3.31Å; K60-D67 WeakPolarHBondContact CA-OD1 3.49Å; K60-D67 WeakPolarHBondContact CB-OD1 3.37Å; K60-D67 WeakPolarHBondContact CE-OD1 3.44Å; K60-D67 WeakPolarHBondContact CG-OD1 3.28Å; K60-D67 VanDerWaalsContact NZ-CG 3.29Å; K60-D67 IonicContact NZ-OD1 2.92Å; K60-D67 PolarHBondContact NZ-OD1 3.27Å; K60-D67 IonicContact NZ-OD2 3.09Å; K60-D67 PolarHBondContact NZ-OD2 2.79Å; K60-D67 VanDerWaalsContact NZ-OD2 3.12Å
68	F	93	Very high	92.4	Very high	38 Å²	38	67.6 Å²	67.6	17%	0.167	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	148	-176.4	-60.7	-88.6	0	0	0	111.6	K57 V58 Y59 C61 K66 T70 K73 L74 H77	K57-F68 CarbonylContact C-O 3.22Å; K57-F68 WeakPolarHBondContact CA-O 3.4Å; V58-F68 PolarHBondContact N-O 3.34Å; Y59-F68 PolarHBondContact N-O 3.4Å; Y59-F68 PolarHBondContact O-N 2.87Å; C61-F68 HydrophobicContact CB-CE2 4.08Å; K66-F68 HydrophobicContact CB-CE2 3.85Å; K66-F68 HydrophobicContact CB-CZ 4.05Å; K66-F68 WeakPolarHBondContact O-CD2 3.16Å; K66-F68 VanDerWaalsContact O-CE2 3.25Å; K66-F68 WeakPolarHBondContact O-CE2 3.34Å; F68-T70 VanDerWaalsContact C-N 3.35Å; F68-K73 HydrophobicContact CB-CB 4.36Å; F68-K73 HydrophobicContact CD1-CB 4.06Å; F68-L74 HydrophobicContact CB-CB 4.13Å; F68-L74 HydrophobicContact CD2-CB 4.01Å; F68-L74 HydrophobicContact CD2-CD1 3.62Å; F68-L74 HydrophobicContact CD2-CG 4.41Å; F68-L74 HydrophobicContact CE2-CD1 3.88Å; F68-L74 HydrophobicContact CG-CB 4.13Å; F68-H77 HydrophobicContact CE1-CB 3.67Å; F68-H77 AromaticContact CE1-CG 3.87Å; F68-H77 HydrophobicContact CE2-CB 3.98Å; F68-H77 AromaticContact CE2-CD2 3.4Å; F68-H77 WeakPolarHBondContact CE2-CD2 3.26Å; F68-H77 AromaticContact CE2-CG 3.65Å; F68-H77 AromaticContact CE2-NE2 3.92Å; F68-H77 HydrophobicContact CZ-CB 3.39Å; F68-H77 AromaticContact CZ-CD2 3.35Å; F68-H77 WeakPolarHBondContact CZ-CD2 3.45Å; F68-H77 AromaticContact CZ-CE1 3.85Å; F68-H77 AromaticContact CZ-CG 3.1Å; F68-H77 AromaticContact CZ-ND1 3.46Å; F68-H77 WeakPolarHBondContact CZ-ND1 3.33Å; F68-H77 AromaticContact CZ-NE2 3.8Å
69	S	90.6	Very high	92.3	Very high	10 Å²	10	69 Å²	69	7%	0.07	35%	0.347	C	S	.	.	S	Bend	trans	-79.8	-15	179.4	61.3	0	0	0	0	114.2	R51 E56 K73	R51-S69 WeakPolarHBondContact CD-O 3.4Å; R51-S69 PolarHBondContact NH1-O 2.84Å; E56-S69 WeakPolarHBondContact O-CB 3.23Å; S69-K73 PolarHBondContact OG-NZ 3.37Å
70	T	90.7	Very high	92.1	Very high	13 Å²	13	68.8 Å²	68.8	8%	0.08	35%	0.35	C	S	.	.	S	Bend	trans	-144	149.4	-179.5	50.4	0	0	0	0	111.4	I48 Y59 F68 T72 K73 L74	I48-T70 HydrophobicContact CB-CG2 4.46Å; I48-T70 HydrophobicContact CD1-CG2 4.49Å; I48-T70 HydrophobicContact CG1-CG2 4.39Å; I48-T70 HydrophobicContact CG2-CG2 3.32Å; Y59-T70 VanDerWaalsContact CD2-CA 3.48Å; F68-T70 VanDerWaalsContact C-N 3.35Å; T70-T72 VanDerWaalsContact C-N 3.28Å; T70-T72 PolarHBondContact O-N 3.2Å; T70-T72 PolarHBondContact OG1-OG1 3.45Å; T70-K73 PolarHBondContact O-N 3.45Å; T70-K73 WeakPolarHBondContact OG1-CB 3.48Å; T70-K73 VanDerWaalsContact OG1-CD 3.31Å; T70-K73 WeakPolarHBondContact OG1-CD 3.42Å; T70-K73 WeakPolarHBondContact OG1-CG 3.46Å; T70-K73 PolarHBondContact OG1-N 2.92Å; T70-L74 PolarHBondContact O-N 3.43Å; T70-L74 VanDerWaalsContact O-N 3.09Å
71	T	92.6	Very high	91.8	Very high	60 Å²	60	66.8 Å²	66.8	37%	0.368	34%	0.343	S	S	.	.	H	α-helix	trans	-60.5	-37.1	175	-44.9	0	0	0	0	112	Y59 K73 L74 N75	Y59-T71 WeakPolarHBondContact CE1-OG1 3.5Å; Y59-T71 VanDerWaalsContact CZ-OG1 3.24Å; T71-K73 PolarHBondContact O-N 3.38Å; T71-L74 PolarHBondContact O-N 3.08Å; T71-N75 WeakPolarHBondContact O-CB 3.17Å; T71-N75 VanDerWaalsContact O-CG 3.27Å; T71-N75 PolarHBondContact O-N 2.92Å
72	T	91.5	Very high	91.4	Very high	108 Å²	108	70 Å²	70	66%	0.663	36%	0.362	S	S	*	.	H	α-helix	trans	-62.8	-42	177.9	54.5	0	0	0	0	111.9	T70 R76	T70-T72 VanDerWaalsContact C-N 3.28Å; T70-T72 PolarHBondContact O-N 3.2Å; T70-T72 PolarHBondContact OG1-OG1 3.45Å; T72-R76 WeakPolarHBondContact O-CB 3.46Å; T72-R76 PolarHBondContact O-N 3.31Å
73	K	91.1	Very high	90.7	Very high	77 Å²	77	70.6 Å²	70.6	34%	0.335	37%	0.37	S	S	.	.	H	α-helix	trans	-65.5	-42	174.3	-71.2	176.4	-168.9	172.6	0	111.4	D52 F68 S69 T70 T71 R76 H77	D52-K73 IonicContact OD1-NZ 3.77Å; F68-K73 HydrophobicContact CB-CB 4.36Å; F68-K73 HydrophobicContact CD1-CB 4.06Å; S69-K73 PolarHBondContact OG-NZ 3.37Å; T70-K73 PolarHBondContact O-N 3.45Å; T70-K73 WeakPolarHBondContact OG1-CB 3.48Å; T70-K73 VanDerWaalsContact OG1-CD 3.31Å; T70-K73 WeakPolarHBondContact OG1-CD 3.42Å; T70-K73 WeakPolarHBondContact OG1-CG 3.46Å; T70-K73 PolarHBondContact OG1-N 2.92Å; T71-K73 PolarHBondContact O-N 3.38Å; K73-R76 PolarHBondContact O-N 3.24Å; K73-H77 WeakPolarHBondContact O-CB 3.47Å; K73-H77 PolarHBondContact O-N 3.16Å
74	L	93.6	Very high	90.4	Very high	13 Å²	13	72.4 Å²	72.4	7%	0.068	38%	0.375	C	S	.	.	H	α-helix	trans	-61.1	-50.5	174.7	172.5	61.4	0	0	0	111.5	C61 F68 T70 T71 R76 H77 K78	C61-L74 HydrophobicContact CB-CD1 3.62Å; F68-L74 HydrophobicContact CB-CB 4.13Å; F68-L74 HydrophobicContact CD2-CB 4.01Å; F68-L74 HydrophobicContact CD2-CD1 3.62Å; F68-L74 HydrophobicContact CD2-CG 4.41Å; F68-L74 HydrophobicContact CE2-CD1 3.88Å; F68-L74 HydrophobicContact CG-CB 4.13Å; T70-L74 PolarHBondContact O-N 3.43Å; T70-L74 VanDerWaalsContact O-N 3.09Å; T71-L74 PolarHBondContact O-N 3.08Å; L74-R76 VanDerWaalsContact C-N 3.28Å; L74-R76 PolarHBondContact O-N 3.08Å; L74-H77 CarbonylContact O-C 3.59Å; L74-H77 WeakPolarHBondContact O-CA 3.45Å; L74-H77 VanDerWaalsContact O-CB 3.3Å; L74-H77 WeakPolarHBondContact O-CB 3.5Å; L74-H77 PolarHBondContact O-N 3.3Å; L74-K78 HydrophobicContact CD1-CG 4.17Å; L74-K78 HydrophobicContact CG-CD 4.5Å; L74-K78 HydrophobicContact CG-CG 4.47Å; L74-K78 PolarHBondContact O-N 3.18Å
75	N	92.3	Very high	90.2	Very high	88 Å²	88	75 Å²	75	47%	0.471	38%	0.38	S	S	.	.	H	α-helix	trans	-61.3	-38.7	-179.3	-72.1	-11.6	0	0	0	111.8	T71 H77 K78	T71-N75 WeakPolarHBondContact O-CB 3.17Å; T71-N75 VanDerWaalsContact O-CG 3.27Å; T71-N75 PolarHBondContact O-N 2.92Å; N75-H77 VanDerWaalsContact C-N 3.32Å; N75-K78 PolarHBondContact O-N 3.37Å
76	R	90.6	Very high	90.1	Very high	150 Å²	150	77.7 Å²	77.7	57%	0.566	39%	0.391	S	S	*	.	H	α-helix	trans	-64.8	-37.7	172.1	-174.5	176.6	66.7	-175.8	1.5	112	T72 K73 L74 K79 W98	T72-R76 WeakPolarHBondContact O-CB 3.46Å; T72-R76 PolarHBondContact O-N 3.31Å; K73-R76 PolarHBondContact O-N 3.24Å; L74-R76 VanDerWaalsContact C-N 3.28Å; L74-R76 PolarHBondContact O-N 3.08Å; R76-K79 WeakPolarHBondContact O-CB 3.08Å; R76-W98 HydrophobicContact CG-CZ2 4.4Å
77	H	92.1	Very high	90.2	Very high	21 Å²	21	76 Å²	76	10%	0.097	38%	0.382	C	S	.	.	H	α-helix	trans	-66.5	-41.4	175.8	167.7	78	0	0	0	112.1	C61 C64 F68 K73 L74 N75 K79 I80 H81	C61-H77 VanDerWaalsContact SG-CD2 3.55Å; C64-H77 PolarHBondContact SG-NE2 3.36Å; F68-H77 HydrophobicContact CE1-CB 3.67Å; F68-H77 AromaticContact CE1-CG 3.87Å; F68-H77 HydrophobicContact CE2-CB 3.98Å; F68-H77 AromaticContact CE2-CD2 3.4Å; F68-H77 WeakPolarHBondContact CE2-CD2 3.26Å; F68-H77 AromaticContact CE2-CG 3.65Å; F68-H77 AromaticContact CE2-NE2 3.92Å; F68-H77 HydrophobicContact CZ-CB 3.39Å; F68-H77 AromaticContact CZ-CD2 3.35Å; F68-H77 WeakPolarHBondContact CZ-CD2 3.45Å; F68-H77 AromaticContact CZ-CE1 3.85Å; F68-H77 AromaticContact CZ-CG 3.1Å; F68-H77 AromaticContact CZ-ND1 3.46Å; F68-H77 WeakPolarHBondContact CZ-ND1 3.33Å; F68-H77 AromaticContact CZ-NE2 3.8Å; K73-H77 WeakPolarHBondContact O-CB 3.47Å; K73-H77 PolarHBondContact O-N 3.16Å; L74-H77 CarbonylContact O-C 3.59Å; L74-H77 WeakPolarHBondContact O-CA 3.45Å; L74-H77 VanDerWaalsContact O-CB 3.3Å; L74-H77 WeakPolarHBondContact O-CB 3.5Å; L74-H77 PolarHBondContact O-N 3.3Å; N75-H77 VanDerWaalsContact C-N 3.32Å; H77-K79 PolarHBondContact O-N 3.22Å; H77-I80 WeakPolarHBondContact CE1-CD1 3.46Å; H77-I80 WeakPolarHBondContact ND1-CD1 3.27Å; H77-I80 VanDerWaalsContact O-CG1 3.27Å; H77-I80 WeakPolarHBondContact O-CG1 3.41Å; H77-I80 WeakPolarHBondContact O-CG2 3.35Å; H77-I80 PolarHBondContact O-N 3.25Å; H77-H81 AromaticContact CD2-NE2 3.7Å; H77-H81 AromaticContact CE1-NE2 3.7Å; H77-H81 AromaticContact NE2-CE1 3.78Å; H77-H81 AromaticContact NE2-NE2 3.02Å; H77-H81 PolarHBondContact NE2-NE2 3.07Å
78	K	91	Very high	90.3	Very high	69 Å²	69	80 Å²	80	30%	0.3	40%	0.397	S	S	.	.	H	α-helix	trans	-54	-27.5	179.7	-73.8	-172.6	171.4	-165	0	113.3	D62 L74 N75 I80 H81 T82	D62-K78 IonicContact OD2-NZ 3.68Å; L74-K78 HydrophobicContact CD1-CG 4.17Å; L74-K78 HydrophobicContact CG-CD 4.5Å; L74-K78 HydrophobicContact CG-CG 4.47Å; L74-K78 PolarHBondContact O-N 3.18Å; N75-K78 PolarHBondContact O-N 3.37Å; K78-I80 PolarHBondContact O-N 3.22Å; K78-H81 PolarHBondContact O-N 2.98Å; K78-T82 PolarHBondContact O-N 3.34Å
79	K	88.8	Confident	90.4	Very high	101 Å²	101	78.2 Å²	78.2	44%	0.439	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-12.3	171.8	-61.6	-170.5	175	-169.5	0	115.1	R76 H77 T82 N97	R76-K79 WeakPolarHBondContact O-CB 3.08Å; H77-K79 PolarHBondContact O-N 3.22Å; K79-T82 WeakPolarHBondContact CA-OG1 3.47Å; K79-T82 PolarHBondContact O-OG1 3.11Å; K79-N97 PolarHBondContact O-ND2 3.41Å
80	I	87.3	Confident	90.7	Very high	73 Å²	73	86.8 Å²	86.8	37%	0.374	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-22.6	174.4	81.1	176.8	0	0	0	112.8	H77 K78 W98	H77-I80 WeakPolarHBondContact CE1-CD1 3.46Å; H77-I80 WeakPolarHBondContact ND1-CD1 3.27Å; H77-I80 VanDerWaalsContact O-CG1 3.27Å; H77-I80 WeakPolarHBondContact O-CG1 3.41Å; H77-I80 WeakPolarHBondContact O-CG2 3.35Å; H77-I80 PolarHBondContact O-N 3.25Å; K78-I80 PolarHBondContact O-N 3.22Å; I80-W98 HydrophobicContact CG2-CH2 3.83Å; I80-W98 HydrophobicContact CG2-CZ2 4.37Å
81	H	88.6	Confident	90.9	Very high	66 Å²	66	90.8 Å²	90.8	31%	0.306	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-22.5	178.9	-55.8	-49.7	0	0	0	111.6	C61 D63 C64 H77 K78 V83	C61-H81 VanDerWaalsContact SG-CD2 3.51Å; C61-H81 PolarHBondContact SG-NE2 2.73Å; D63-H81 HydrophobicContact CB-CB 4.26Å; D63-H81 IonicContact OD2-CD2 3.89Å; D63-H81 PolarHBondContact OD2-CD2 3.41Å; D63-H81 VanDerWaalsContact OD2-CD2 3.28Å; D63-H81 IonicContact OD2-CG 3.91Å; C64-H81 PolarHBondContact SG-CE1 3.25Å; C64-H81 PolarHBondContact SG-NE2 3.32Å; C64-H81 VanDerWaalsContact SG-NE2 3.4Å; H77-H81 AromaticContact CD2-NE2 3.7Å; H77-H81 AromaticContact CE1-NE2 3.7Å; H77-H81 AromaticContact NE2-CE1 3.78Å; H77-H81 AromaticContact NE2-NE2 3.02Å; H77-H81 PolarHBondContact NE2-NE2 3.07Å; K78-H81 PolarHBondContact O-N 2.98Å; H81-V83 PolarHBondContact O-N 3.16Å
82	T	86.2	Confident	91	Very high	67 Å²	67	90.7 Å²	90.7	41%	0.411	44%	0.44	S	S	.	.	S	Bend	trans	-68.6	130.3	171.8	56.6	0	0	0	0	110.1	K78 K79 E84	K78-T82 PolarHBondContact O-N 3.34Å; K79-T82 WeakPolarHBondContact CA-OG1 3.47Å; K79-T82 PolarHBondContact O-OG1 3.11Å; T82-E84 PolarHBondContact O-N 3.26Å
83	V	79.4	Confident	91.1	Very high	141 Å²	141	87.3 Å²	87.3	86%	0.855	43%	0.427	S	S	*	.	S	Bend	trans	-63.4	-27.1	171.5	-179.7	0	0	0	0	110.8	H81 K85	H81-V83 PolarHBondContact O-N 3.16Å; V83-K85 PolarHBondContact O-N 2.99Å
84	E	85.6	Confident	91.4	Very high	150 Å²	150	89.8 Å²	89.8	70%	0.701	44%	0.437	S	S	*	.			trans	-61.8	123.7	179.1	-65.7	-167.6	170.4	0	0	112.5	T82	T82-E84 PolarHBondContact O-N 3.26Å
85	K	90.3	Very high	91.4	Very high	110 Å²	110	90.8 Å²	90.8	48%	0.478	45%	0.447	S	S	.	.			trans	-123.7	84.1	175.9	-69.1	-172	176.7	177.3	0	108.4	V83 Y87 A95 F96 N97	V83-K85 PolarHBondContact O-N 2.99Å; K85-Y87 PolarHBondContact O-N 3.4Å; K85-Y87 VanDerWaalsContact O-N 3.07Å; K85-A95 HydrophobicContact CB-CB 3.39Å; K85-A95 HydrophobicContact CD-CB 4.18Å; K85-A95 WeakPolarHBondContact CD-O 3.36Å; K85-A95 HydrophobicContact CG-CB 4.39Å; K85-F96 CarbonylContact C-O 3.55Å; K85-N97 VanDerWaalsContact CG-OD1 3.3Å; K85-N97 WeakPolarHBondContact CG-OD1 3.34Å
86	P	89.9	Confident	91.5	Very high	95 Å²	95	88.7 Å²	88.7	62%	0.617	43%	0.434	S	S	*	.			trans	-61.5	-24.5	-168.4	-25.2	34.9	0	0	0	113.9	K88	P86-K88 PolarHBondContact O-N 2.98Å
87	Y	95.1	Very high	91.6	Very high	88 Å²	88	82.8 Å²	82.8	35%	0.345	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	93.3	-174.2	-54.3	-78.1	0	0	0	110.2	K85 A95 F96 N97 W98	K85-Y87 PolarHBondContact O-N 3.4Å; K85-Y87 VanDerWaalsContact O-N 3.07Å; Y87-A95 CarbonylContact O-C 3.52Å; Y87-A95 WeakPolarHBondContact O-CA 3.41Å; Y87-F96 WeakPolarHBondContact CD2-O 3.41Å; Y87-F96 PolarHBondContact N-O 3.13Å; Y87-F96 PolarHBondContact O-N 3.31Å; Y87-N97 WeakPolarHBondContact CE2-O 3.43Å; Y87-W98 VanDerWaalsContact CD2-C 3.42Å
88	K	95.5	Very high	91.5	Very high	143 Å²	143	85.4 Å²	85.4	62%	0.622	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.5	134.3	-178.8	-168.1	176.4	178.8	-177.8	0	111.8	P86 G93 A95	P86-K88 PolarHBondContact O-N 2.98Å; K88-G93 WeakPolarHBondContact CE-O 3.32Å; K88-A95 HydrophobicContact CB-CB 4.41Å; K88-A95 HydrophobicContact CG-CB 4.42Å
89	C	96.8	Very high	91.7	Very high	0 Å²	0	85 Å²	85	0%	0	43%	0.428	C	S	.	.			trans	-73.9	124.3	167.9	178.3	0	0	0	0	109.4	E91 C92 G93 K94 L102 H105 M106 H109	C89-E91 VanDerWaalsContact C-N 3.33Å; C89-C92 VanDerWaalsContact SG-SG 3.67Å; C89-G93 WeakPolarHBondContact O-CA 3.37Å; C89-G93 PolarHBondContact O-N 3.2Å; C89-K94 VanDerWaalsContact CB-O 3.27Å; C89-K94 WeakPolarHBondContact CB-O 3.26Å; C89-K94 PolarHBondContact N-O 3.43Å; C89-L102 HydrophobicContact CB-CD1 3.79Å; C89-H105 WeakPolarHBondContact CB-NE2 3.46Å; C89-H105 PolarHBondContact SG-NE2 2.87Å; C89-M106 HydrophobicContact CB-SD 4.38Å; C89-M106 VanDerWaalsContact SG-SD 3.69Å; C89-H109 PolarHBondContact SG-NE2 3.39Å; C89-H109 VanDerWaalsContact SG-NE2 3.41Å
90	Y	95.1	Very high	91.9	Very high	190 Å²	190	83.1 Å²	83.1	75%	0.745	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-24.9	-179.5	66.9	-91.6	0	0	0	112.7	M106	Y90-M106 HydrophobicContact CD1-CE 4.14Å; Y90-M106 HydrophobicContact CE1-CE 3.43Å; Y90-M106 VanDerWaalsContact CE1-CE 3.43Å; Y90-M106 HydrophobicContact CE1-SD 4.45Å
91	E	95	Very high	92.3	Very high	96 Å²	96	83.9 Å²	83.9	45%	0.449	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-42.1	-177.2	-67.7	-167.9	-141.2	0	0	114.1	C89 H109	C89-E91 VanDerWaalsContact C-N 3.33Å; E91-H109 VanDerWaalsContact CB-CE1 3.42Å; E91-H109 WeakPolarHBondContact CB-CE1 3.3Å; E91-H109 WeakPolarHBondContact OE1-CB 3.35Å; E91-H109 IonicContact OE1-CG 3Å; E91-H109 VanDerWaalsContact OE2-CB 3.23Å; E91-H109 WeakPolarHBondContact OE2-CB 3.31Å; E91-H109 IonicContact OE2-CE1 3.95Å; E91-H109 IonicContact OE2-CG 3.76Å; E91-H109 IonicContact OE2-ND1 3.37Å; E91-H109 PolarHBondContact OE2-ND1 3.47Å
92	C	96.2	Very high	92.6	Very high	59 Å²	59	81.8 Å²	81.8	40%	0.399	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.1	2.9	-179	67.3	0	0	0	0	114.6	C89 K94 H105 H109	C89-C92 VanDerWaalsContact SG-SG 3.67Å; C92-K94 PolarHBondContact O-N 3.41Å; C92-K94 VanDerWaalsContact O-N 3.07Å; C92-H105 VanDerWaalsContact SG-CE1 3.58Å; C92-H105 PolarHBondContact SG-NE2 3.41Å; C92-H109 PolarHBondContact SG-NE2 3.38Å; C92-H109 VanDerWaalsContact SG-NE2 3.41Å
93	G	93.7	Very high	93	Very high	37 Å²	37	84.4 Å²	84.4	38%	0.381	43%	0.429	S	S	.	.			trans	71.7	-3.9	179.2	0	0	0	0	0	115.5	K88 C89	K88-G93 WeakPolarHBondContact CE-O 3.32Å; C89-G93 WeakPolarHBondContact O-CA 3.37Å; C89-G93 PolarHBondContact O-N 3.2Å
94	K	95.5	Very high	93.8	Very high	128 Å²	128	80.2 Å²	80.2	56%	0.557	40%	0.401	S	S	*	.			trans	-62.2	136.5	177.1	-73	-178.7	-178.4	174.2	0	110.8	C89 C92 F96	C89-K94 VanDerWaalsContact CB-O 3.27Å; C89-K94 WeakPolarHBondContact CB-O 3.26Å; C89-K94 PolarHBondContact N-O 3.43Å; C92-K94 PolarHBondContact O-N 3.41Å; C92-K94 VanDerWaalsContact O-N 3.07Å; K94-F96 HydrophobicContact CB-CE2 4.11Å; K94-F96 HydrophobicContact CB-CZ 4.19Å
95	A	94.7	Very high	94.3	Very high	34 Å²	34	74 Å²	74	28%	0.281	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	152	-178.8	0	0	0	0	0	112.2	K85 Y87 K88	K85-A95 HydrophobicContact CB-CB 3.39Å; K85-A95 HydrophobicContact CD-CB 4.18Å; K85-A95 WeakPolarHBondContact CD-O 3.36Å; K85-A95 HydrophobicContact CG-CB 4.39Å; Y87-A95 CarbonylContact O-C 3.52Å; Y87-A95 WeakPolarHBondContact O-CA 3.41Å; K88-A95 HydrophobicContact CB-CB 4.41Å; K88-A95 HydrophobicContact CG-CB 4.42Å
96	F	94	Very high	94.6	Very high	44 Å²	44	70.1 Å²	70.1	19%	0.193	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	152.6	-174.3	-56.6	-90.5	0	0	0	111.8	K85 Y87 K94 W98 H101 L102 H105	K85-F96 CarbonylContact C-O 3.55Å; Y87-F96 WeakPolarHBondContact CD2-O 3.41Å; Y87-F96 PolarHBondContact N-O 3.13Å; Y87-F96 PolarHBondContact O-N 3.31Å; K94-F96 HydrophobicContact CB-CE2 4.11Å; K94-F96 HydrophobicContact CB-CZ 4.19Å; F96-W98 VanDerWaalsContact C-N 3.34Å; F96-H101 HydrophobicContact CB-CB 4.21Å; F96-H101 HydrophobicContact CD1-CB 3.97Å; F96-H101 HydrophobicContact CG-CB 4.32Å; F96-L102 HydrophobicContact CB-CB 4.42Å; F96-L102 HydrophobicContact CD2-CB 3.86Å; F96-L102 HydrophobicContact CD2-CD1 3.79Å; F96-L102 HydrophobicContact CD2-CG 4.43Å; F96-L102 HydrophobicContact CE2-CD1 3.88Å; F96-L102 HydrophobicContact CG-CB 4.32Å; F96-H105 HydrophobicContact CE1-CB 3.95Å; F96-H105 HydrophobicContact CE2-CB 3.79Å; F96-H105 AromaticContact CE2-CD2 3.34Å; F96-H105 WeakPolarHBondContact CE2-CD2 3.46Å; F96-H105 AromaticContact CE2-CG 3.55Å; F96-H105 HydrophobicContact CZ-CB 3.37Å; F96-H105 AromaticContact CZ-CD2 3.47Å; F96-H105 VanDerWaalsContact CZ-CD2 3.47Å; F96-H105 WeakPolarHBondContact CZ-CD2 3.42Å; F96-H105 AromaticContact CZ-CG 3.18Å; F96-H105 AromaticContact CZ-ND1 3.71Å
97	N	92	Very high	94.9	Very high	26 Å²	26	68.1 Å²	68.1	14%	0.139	34%	0.336	C	S	.	.	S	Bend	trans	-77.2	-20.4	177	-65.4	-11.4	0	0	0	113.2	K79 K85 Y87	K79-N97 PolarHBondContact O-ND2 3.41Å; K85-N97 VanDerWaalsContact CG-OD1 3.3Å; K85-N97 WeakPolarHBondContact CG-OD1 3.34Å; Y87-N97 WeakPolarHBondContact CE2-O 3.43Å
98	W	92	Very high	95	Very high	76 Å²	76	69 Å²	69	29%	0.288	35%	0.35	S	S	.	.	S	Bend	trans	-134.7	139.7	-175.4	-61.1	-72.5	0	0	0	111	R76 I80 Y87 F96 S100 H101 L102	R76-W98 HydrophobicContact CG-CZ2 4.4Å; I80-W98 HydrophobicContact CG2-CH2 3.83Å; I80-W98 HydrophobicContact CG2-CZ2 4.37Å; Y87-W98 VanDerWaalsContact CD2-C 3.42Å; F96-W98 VanDerWaalsContact C-N 3.34Å; W98-S100 VanDerWaalsContact C-N 3.31Å; W98-S100 PolarHBondContact O-N 2.75Å; W98-H101 AromaticContact CE3-CE1 3.29Å; W98-H101 AromaticContact CE3-ND1 3.45Å; W98-H101 AromaticContact CE3-NE2 3.91Å; W98-H101 AromaticContact CZ3-CE1 3.63Å; W98-H101 PolarHBondContact O-N 3.34Å; W98-H101 VanDerWaalsContact O-N 3.16Å; W98-L102 PolarHBondContact O-N 3.49Å
99	S	94.6	Very high	95	Very high	60 Å²	60	65 Å²	65	42%	0.42	33%	0.333	S	S	.	.	H	α-helix	trans	-58.6	-41.4	177.6	54.8	0	0	0	0	112.2	H101 L102 Q103	S99-H101 PolarHBondContact O-N 3.42Å; S99-L102 WeakPolarHBondContact O-CB 3.45Å; S99-L102 PolarHBondContact O-N 3.13Å; S99-L102 VanDerWaalsContact O-N 3.11Å; S99-Q103 WeakPolarHBondContact O-CG 3.46Å; S99-Q103 PolarHBondContact O-N 2.8Å
100	S	93.2	Very high	94.9	Very high	63 Å²	63	68.8 Å²	68.8	44%	0.441	36%	0.357	S	S	.	.	H	α-helix	trans	-59.3	-34.9	177.9	57.6	0	0	0	0	112.8	W98 Q103 I104	W98-S100 VanDerWaalsContact C-N 3.31Å; W98-S100 PolarHBondContact O-N 2.75Å; S100-Q103 PolarHBondContact O-N 2.98Å; S100-I104 VanDerWaalsContact O-CG1 3.31Å; S100-I104 WeakPolarHBondContact O-CG1 3.31Å; S100-I104 PolarHBondContact O-N 3.49Å
101	H	94.5	Very high	94.9	Very high	88 Å²	88	62 Å²	62	41%	0.407	35%	0.345	S	S	.	.	H	α-helix	trans	-72.4	-38.8	176.8	-70.4	-162.7	0	0	0	111.5	F96 W98 S99 I104 H105	F96-H101 HydrophobicContact CB-CB 4.21Å; F96-H101 HydrophobicContact CD1-CB 3.97Å; F96-H101 HydrophobicContact CG-CB 4.32Å; W98-H101 AromaticContact CE3-CE1 3.29Å; W98-H101 AromaticContact CE3-ND1 3.45Å; W98-H101 AromaticContact CE3-NE2 3.91Å; W98-H101 AromaticContact CZ3-CE1 3.63Å; W98-H101 PolarHBondContact O-N 3.34Å; W98-H101 VanDerWaalsContact O-N 3.16Å; S99-H101 PolarHBondContact O-N 3.42Å; H101-I104 PolarHBondContact O-N 3.43Å; H101-H105 VanDerWaalsContact O-CB 3.32Å; H101-H105 WeakPolarHBondContact O-CB 3.39Å; H101-H105 PolarHBondContact O-N 3.4Å
102	L	95.4	Very high	94.9	Very high	22 Å²	22	62.7 Å²	62.7	12%	0.115	35%	0.348	C	S	.	.	H	α-helix	trans	-60.5	-46.5	171.2	173.4	62.1	0	0	0	110.6	C89 F96 W98 S99 I104 H105 M106	C89-L102 HydrophobicContact CB-CD1 3.79Å; F96-L102 HydrophobicContact CB-CB 4.42Å; F96-L102 HydrophobicContact CD2-CB 3.86Å; F96-L102 HydrophobicContact CD2-CD1 3.79Å; F96-L102 HydrophobicContact CD2-CG 4.43Å; F96-L102 HydrophobicContact CE2-CD1 3.88Å; F96-L102 HydrophobicContact CG-CB 4.32Å; W98-L102 PolarHBondContact O-N 3.49Å; S99-L102 WeakPolarHBondContact O-CB 3.45Å; S99-L102 PolarHBondContact O-N 3.13Å; S99-L102 VanDerWaalsContact O-N 3.11Å; L102-I104 PolarHBondContact O-N 3.32Å; L102-H105 CarbonylContact O-C 3.23Å; L102-H105 WeakPolarHBondContact O-CA 3.35Å; L102-H105 WeakPolarHBondContact O-CB 3.35Å; L102-H105 PolarHBondContact O-N 3.31Å; L102-M106 HydrophobicContact CD1-CG 4.31Å; L102-M106 HydrophobicContact CD1-SD 3.97Å; L102-M106 HydrophobicContact CG-CG 4.49Å; L102-M106 WeakPolarHBondContact O-CG 3.35Å; L102-M106 PolarHBondContact O-N 3.31Å
103	Q	95.1	Very high	95	Very high	122 Å²	122	66 Å²	66	57%	0.57	36%	0.356	S	S	*	.	H	α-helix	trans	-59.4	-43.8	178.9	-68.8	-59.2	-34.8	0	0	112.4	S99 S100 H105 M106	S99-Q103 WeakPolarHBondContact O-CG 3.46Å; S99-Q103 PolarHBondContact O-N 2.8Å; S100-Q103 PolarHBondContact O-N 2.98Å; Q103-H105 VanDerWaalsContact C-N 3.3Å; Q103-H105 PolarHBondContact O-N 3.23Å; Q103-M106 PolarHBondContact O-N 3.45Å
104	I	95.2	Very high	95.1	Very high	54 Å²	54	67.5 Å²	67.5	28%	0.277	36%	0.359	S	S	.	.	H	α-helix	trans	-64.2	-38.5	173.7	-65.5	164.4	0	0	0	110.8	S100 H101 L102 R107 N126	S100-I104 VanDerWaalsContact O-CG1 3.31Å; S100-I104 WeakPolarHBondContact O-CG1 3.31Å; S100-I104 PolarHBondContact O-N 3.49Å; H101-I104 PolarHBondContact O-N 3.43Å; L102-I104 PolarHBondContact O-N 3.32Å; I104-R107 WeakPolarHBondContact O-CB 3.39Å; I104-R107 PolarHBondContact O-N 3.05Å; I104-N126 HydrophobicContact CG2-CB 4.27Å
105	H	96.4	Very high	95.2	Very high	20 Å²	20	65.3 Å²	65.3	9%	0.093	35%	0.348	C	S	.	.	H	α-helix	trans	-65.7	-36.9	177.6	166.5	66.8	0	0	0	113.2	C89 C92 F96 H101 L102 Q103 R107 V108 H109	C89-H105 WeakPolarHBondContact CB-NE2 3.46Å; C89-H105 PolarHBondContact SG-NE2 2.87Å; C92-H105 VanDerWaalsContact SG-CE1 3.58Å; C92-H105 PolarHBondContact SG-NE2 3.41Å; F96-H105 HydrophobicContact CE1-CB 3.95Å; F96-H105 HydrophobicContact CE2-CB 3.79Å; F96-H105 AromaticContact CE2-CD2 3.34Å; F96-H105 WeakPolarHBondContact CE2-CD2 3.46Å; F96-H105 AromaticContact CE2-CG 3.55Å; F96-H105 HydrophobicContact CZ-CB 3.37Å; F96-H105 AromaticContact CZ-CD2 3.47Å; F96-H105 VanDerWaalsContact CZ-CD2 3.47Å; F96-H105 WeakPolarHBondContact CZ-CD2 3.42Å; F96-H105 AromaticContact CZ-CG 3.18Å; F96-H105 AromaticContact CZ-ND1 3.71Å; H101-H105 VanDerWaalsContact O-CB 3.32Å; H101-H105 WeakPolarHBondContact O-CB 3.39Å; H101-H105 PolarHBondContact O-N 3.4Å; L102-H105 CarbonylContact O-C 3.23Å; L102-H105 WeakPolarHBondContact O-CA 3.35Å; L102-H105 WeakPolarHBondContact O-CB 3.35Å; L102-H105 PolarHBondContact O-N 3.31Å; Q103-H105 VanDerWaalsContact C-N 3.3Å; Q103-H105 PolarHBondContact O-N 3.23Å; H105-R107 PolarHBondContact O-N 3.33Å; H105-V108 VanDerWaalsContact O-CB 3.26Å; H105-V108 WeakPolarHBondContact O-CB 3.32Å; H105-V108 WeakPolarHBondContact O-CG2 3.42Å; H105-V108 PolarHBondContact O-N 3.39Å; H105-H109 AromaticContact CE1-NE2 3.67Å; H105-H109 AromaticContact NE2-CD2 3.9Å; H105-H109 AromaticContact NE2-NE2 3.42Å; H105-H109 PolarHBondContact NE2-NE2 3.02Å
106	M	96.7	Very high	95.3	Very high	27 Å²	27	67.7 Å²	67.7	13%	0.133	36%	0.359	C	S	.	.	H	α-helix	trans	-56.3	-26.1	177.4	-68.1	-49.9	-59	0	0	112.2	C89 Y90 L102 Q103 V108 H109 T110	C89-M106 HydrophobicContact CB-SD 4.38Å; C89-M106 VanDerWaalsContact SG-SD 3.69Å; Y90-M106 HydrophobicContact CD1-CE 4.14Å; Y90-M106 HydrophobicContact CE1-CE 3.43Å; Y90-M106 VanDerWaalsContact CE1-CE 3.43Å; Y90-M106 HydrophobicContact CE1-SD 4.45Å; L102-M106 HydrophobicContact CD1-CG 4.31Å; L102-M106 HydrophobicContact CD1-SD 3.97Å; L102-M106 HydrophobicContact CG-CG 4.49Å; L102-M106 WeakPolarHBondContact O-CG 3.35Å; L102-M106 PolarHBondContact O-N 3.31Å; Q103-M106 PolarHBondContact O-N 3.45Å; M106-V108 PolarHBondContact O-N 3.47Å; M106-H109 WeakPolarHBondContact O-CB 3.28Å; M106-H109 PolarHBondContact O-N 2.85Å; M106-T110 PolarHBondContact O-N 2.92Å; M106-T110 VanDerWaalsContact O-N 3.13Å
107	R	96.3	Very high	95.5	Very high	54 Å²	54	65.7 Å²	65.7	20%	0.204	35%	0.35	C	S	.	.	H	α-helix	trans	-65.3	-17.3	174.6	-59.6	178.4	177.9	152.9	1.8	114.4	I104 H105 H109 T110 G111 E112 S125	I104-R107 WeakPolarHBondContact O-CB 3.39Å; I104-R107 PolarHBondContact O-N 3.05Å; H105-R107 PolarHBondContact O-N 3.33Å; R107-H109 VanDerWaalsContact C-N 3.26Å; R107-T110 WeakPolarHBondContact CA-OG1 3.35Å; R107-G111 CarbonylContact O-C 3.57Å; R107-G111 WeakPolarHBondContact O-CA 3.38Å; R107-G111 PolarHBondContact O-N 3.4Å; R107-E112 HydrophobicContact CB-CB 4.36Å; R107-E112 HydrophobicContact CG-CB 4.18Å; R107-E112 PolarHBondContact O-N 2.8Å; R107-S125 VanDerWaalsContact CD-O 3.27Å; R107-S125 WeakPolarHBondContact CD-O 3.33Å; R107-S125 PolarHBondContact NH1-O 3.34Å
108	V	96.1	Very high	95.7	Very high	105 Å²	105	69.7 Å²	69.7	64%	0.636	38%	0.38	S	S	*	.	H	α-helix	trans	-67.1	-34.4	170.9	175.8	0	0	0	0	110.7	H105 M106	H105-V108 VanDerWaalsContact O-CB 3.26Å; H105-V108 WeakPolarHBondContact O-CB 3.32Å; H105-V108 WeakPolarHBondContact O-CG2 3.42Å; H105-V108 PolarHBondContact O-N 3.39Å; M106-V108 PolarHBondContact O-N 3.47Å
109	H	97	Very high	95.9	Very high	59 Å²	59	71.8 Å²	71.8	27%	0.273	39%	0.393	S	S	.	.	H	α-helix	trans	-82	-46.9	-179.1	-67.1	-78.4	0	0	0	111.8	C89 E91 C92 H105 M106 R107 G111	C89-H109 PolarHBondContact SG-NE2 3.39Å; C89-H109 VanDerWaalsContact SG-NE2 3.41Å; E91-H109 VanDerWaalsContact CB-CE1 3.42Å; E91-H109 WeakPolarHBondContact CB-CE1 3.3Å; E91-H109 WeakPolarHBondContact OE1-CB 3.35Å; E91-H109 IonicContact OE1-CG 3Å; E91-H109 VanDerWaalsContact OE2-CB 3.23Å; E91-H109 WeakPolarHBondContact OE2-CB 3.31Å; E91-H109 IonicContact OE2-CE1 3.95Å; E91-H109 IonicContact OE2-CG 3.76Å; E91-H109 IonicContact OE2-ND1 3.37Å; E91-H109 PolarHBondContact OE2-ND1 3.47Å; C92-H109 PolarHBondContact SG-NE2 3.38Å; C92-H109 VanDerWaalsContact SG-NE2 3.41Å; H105-H109 AromaticContact CE1-NE2 3.67Å; H105-H109 AromaticContact NE2-CD2 3.9Å; H105-H109 AromaticContact NE2-NE2 3.42Å; H105-H109 PolarHBondContact NE2-NE2 3.02Å; M106-H109 WeakPolarHBondContact O-CB 3.28Å; M106-H109 PolarHBondContact O-N 2.85Å; R107-H109 VanDerWaalsContact C-N 3.26Å; H109-G111 VanDerWaalsContact C-N 3.27Å; H109-G111 PolarHBondContact O-N 3.47Å
110	T	94.8	Very high	96	Very high	81 Å²	81	72.1 Å²	72.1	50%	0.497	39%	0.394	S	S	.	.	H	α-helix	trans	-75.8	-17.1	179.2	65.3	0	0	0	0	113.3	M106 R107 E112	M106-T110 PolarHBondContact O-N 2.92Å; M106-T110 VanDerWaalsContact O-N 3.13Å; R107-T110 WeakPolarHBondContact CA-OG1 3.35Å; T110-E112 PolarHBondContact O-N 3.46Å; T110-E112 WeakPolarHBondContact OG1-CB 3.45Å; T110-E112 WeakPolarHBondContact OG1-CG 3.49Å; T110-E112 PolarHBondContact OG1-N 2.88Å
111	G	94.1	Very high	96.2	Very high	48 Å²	48	71.6 Å²	71.6	50%	0.495	40%	0.399	S	S	.	.			trans	72.2	3.7	-173.1	0	0	0	0	0	114	R107 H109 K113	R107-G111 CarbonylContact O-C 3.57Å; R107-G111 WeakPolarHBondContact O-CA 3.38Å; R107-G111 PolarHBondContact O-N 3.4Å; H109-G111 VanDerWaalsContact C-N 3.27Å; H109-G111 PolarHBondContact O-N 3.47Å; G111-K113 PolarHBondContact O-N 3.26Å
112	E	96.2	Very high	96.3	Very high	110 Å²	110	74.8 Å²	74.8	51%	0.514	41%	0.408	S	S	.	.			trans	-59.1	133.5	-177.8	-79.8	-177.9	-178.4	0	0	112.6	R107 T110	R107-E112 HydrophobicContact CB-CB 4.36Å; R107-E112 HydrophobicContact CG-CB 4.18Å; R107-E112 PolarHBondContact O-N 2.8Å; T110-E112 PolarHBondContact O-N 3.46Å; T110-E112 WeakPolarHBondContact OG1-CB 3.45Å; T110-E112 WeakPolarHBondContact OG1-CG 3.49Å; T110-E112 PolarHBondContact OG1-N 2.88Å
113	K	96.6	Very high	96.4	Very high	128 Å²	128	74.6 Å²	74.6	56%	0.557	41%	0.411	S	S	*	.			trans	-132.3	71.4	178.6	-74	169	177.4	177.9	0	110.7	G111 Y115 G123 F124	G111-K113 PolarHBondContact O-N 3.26Å; K113-Y115 PolarHBondContact O-N 3.07Å; K113-Y115 VanDerWaalsContact O-N 3.15Å; K113-G123 WeakPolarHBondContact CD-O 3.21Å; K113-F124 CarbonylContact C-O 3.38Å; K113-F124 VanDerWaalsContact C-O 3.28Å; K113-F124 VanDerWaalsContact CA-O 3.31Å; K113-F124 WeakPolarHBondContact CA-O 3.23Å
114	P	95.7	Very high	96.5	Very high	69 Å²	69	70 Å²	70	45%	0.448	39%	0.389	S	S	.	.			trans	-65.2	-21.1	-172.4	-21	34.2	0	0	0	113.9
115	Y	97.8	Very high	96.5	Very high	82 Å²	82	69.1 Å²	69.1	32%	0.322	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	101.6	-176.4	-54.4	-76	0	0	0	109.6	K113 G123 F124 S127	K113-Y115 PolarHBondContact O-N 3.07Å; K113-Y115 VanDerWaalsContact O-N 3.15Å; Y115-G123 CarbonylContact O-C 3.52Å; Y115-F124 PolarHBondContact N-O 3.25Å; Y115-F124 VanDerWaalsContact N-O 3.15Å; Y115-F124 PolarHBondContact O-N 3.48Å; Y115-S127 VanDerWaalsContact CD2-N 3.29Å; Y115-S127 VanDerWaalsContact CE2-N 3.33Å
116	V	97.9	Very high	96.4	Very high	84 Å²	84	70 Å²	70	51%	0.509	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	133.6	-176.9	-176.6	0	0	0	0	110.2	S118	V116-S118 PolarHBondContact O-N 3.32Å
117	C	97.6	Very high	96.4	Very high	1 Å²	1	71.2 Å²	71.2	1%	0.007	40%	0.404	C	S	.	.			trans	-71.4	121.3	170.1	179.2	0	0	0	0	109.8	E119 C120 G121 R122 F124 L130 H137	C117-E119 PolarHBondContact O-N 3.21Å; C117-C120 VanDerWaalsContact SG-SG 3.63Å; C117-G121 WeakPolarHBondContact O-CA 3.46Å; C117-G121 PolarHBondContact O-N 2.98Å; C117-R122 PolarHBondContact N-O 3Å; C117-F124 HydrophobicContact CB-CE2 4.31Å; C117-L130 HydrophobicContact CB-CD1 3.72Å; C117-H137 PolarHBondContact SG-NE2 2.73Å
118	S	96.4	Very high	96.3	Very high	111 Å²	111	71.9 Å²	71.9	78%	0.776	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-26	178.5	49.1	0	0	0	0	113.6	V116	V116-S118 PolarHBondContact O-N 3.32Å
119	E	96.3	Very high	96.2	Very high	119 Å²	119	70.2 Å²	70.2	56%	0.556	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-34.6	-175.4	-65.3	-174.3	-132.2	0	0	114.1	C117 H137	C117-E119 PolarHBondContact O-N 3.21Å; E119-H137 WeakPolarHBondContact OE1-CB 3.47Å; E119-H137 IonicContact OE1-CG 3.28Å; E119-H137 WeakPolarHBondContact OE2-CB 3.28Å; E119-H137 IonicContact OE2-CE1 2.74Å; E119-H137 IonicContact OE2-CG 3.1Å; E119-H137 IonicContact OE2-ND1 3.2Å; E119-H137 PolarHBondContact OE2-ND1 3.24Å
120	C	97	Very high	96.2	Very high	67 Å²	67	68.6 Å²	68.6	45%	0.453	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.1	2.5	-179.7	66	0	0	0	0	114.7	C117 R122 H133	C117-C120 VanDerWaalsContact SG-SG 3.63Å; C120-R122 PolarHBondContact O-N 3.34Å; C120-R122 VanDerWaalsContact O-N 3.1Å; C120-R122 VanDerWaalsContact SG-CB 3.5Å; C120-H133 PolarHBondContact SG-NE2 3.1Å
121	G	96.5	Very high	96.2	Very high	53 Å²	53	68 Å²	68	55%	0.546	40%	0.396	S	S	.	.			trans	68.2	4.3	-178	0	0	0	0	0	114.6	C117 G123	C117-G121 WeakPolarHBondContact O-CA 3.46Å; C117-G121 PolarHBondContact O-N 2.98Å; G121-G123 PolarHBondContact O-N 2.95Å
122	R	97.6	Very high	96.3	Very high	155 Å²	155	69.2 Å²	69.2	59%	0.585	39%	0.39	S	S	*	.			trans	-71.6	122	-177.2	-172.5	171.9	-178.6	173.6	4.1	111.1	C117 C120 F124	C117-R122 PolarHBondContact N-O 3Å; C120-R122 PolarHBondContact O-N 3.34Å; C120-R122 VanDerWaalsContact O-N 3.1Å; C120-R122 VanDerWaalsContact SG-CB 3.5Å; R122-F124 HydrophobicContact CB-CE2 4.05Å; R122-F124 HydrophobicContact CB-CZ 4.33Å; R122-F124 HydrophobicContact CG-CE2 3.89Å; R122-F124 HydrophobicContact CG-CZ 3.81Å; R122-F124 WeakPolarHBondContact O-CD2 3.39Å; R122-F124 WeakPolarHBondContact O-CE2 3.2Å
123	G	97.3	Very high	96.3	Very high	17 Å²	17	65 Å²	65	18%	0.175	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	145.6	174.5	0	0	0	0	0	114.4	K113 Y115 G121	K113-G123 WeakPolarHBondContact CD-O 3.21Å; Y115-G123 CarbonylContact O-C 3.52Å; G121-G123 PolarHBondContact O-N 2.95Å
124	F	97.2	Very high	96.3	Very high	26 Å²	26	62.6 Å²	62.6	11%	0.114	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	144.1	177	-60.7	-92.1	0	0	0	111	K113 Y115 C117 R122 N126 N129 L130 H133	K113-F124 CarbonylContact C-O 3.38Å; K113-F124 VanDerWaalsContact C-O 3.28Å; K113-F124 VanDerWaalsContact CA-O 3.31Å; K113-F124 WeakPolarHBondContact CA-O 3.23Å; Y115-F124 PolarHBondContact N-O 3.25Å; Y115-F124 VanDerWaalsContact N-O 3.15Å; Y115-F124 PolarHBondContact O-N 3.48Å; C117-F124 HydrophobicContact CB-CE2 4.31Å; R122-F124 HydrophobicContact CB-CE2 4.05Å; R122-F124 HydrophobicContact CB-CZ 4.33Å; R122-F124 HydrophobicContact CG-CE2 3.89Å; R122-F124 HydrophobicContact CG-CZ 3.81Å; R122-F124 WeakPolarHBondContact O-CD2 3.39Å; R122-F124 WeakPolarHBondContact O-CE2 3.2Å; F124-N126 VanDerWaalsContact C-N 3.31Å; F124-N129 HydrophobicContact CB-CB 4.49Å; F124-N129 HydrophobicContact CD1-CB 3.97Å; F124-L130 HydrophobicContact CB-CB 4.27Å; F124-L130 HydrophobicContact CD2-CB 3.93Å; F124-L130 HydrophobicContact CD2-CD1 3.76Å; F124-L130 HydrophobicContact CD2-CG 4.43Å; F124-L130 HydrophobicContact CE2-CD1 3.89Å; F124-L130 HydrophobicContact CG-CB 4.18Å; F124-H133 HydrophobicContact CE1-CB 3.81Å; F124-H133 HydrophobicContact CE2-CB 3.99Å; F124-H133 AromaticContact CE2-CD2 3.31Å; F124-H133 WeakPolarHBondContact CE2-CD2 3.22Å; F124-H133 AromaticContact CE2-CG 3.66Å; F124-H133 AromaticContact CE2-NE2 3.91Å; F124-H133 HydrophobicContact CZ-CB 3.39Å; F124-H133 AromaticContact CZ-CD2 3.31Å; F124-H133 WeakPolarHBondContact CZ-CD2 3.16Å; F124-H133 AromaticContact CZ-CG 3.15Å; F124-H133 AromaticContact CZ-ND1 3.7Å; F124-H133 AromaticContact CZ-NE2 3.87Å
125	S	95.6	Very high	96.3	Very high	36 Å²	36	62 Å²	62	25%	0.252	35%	0.35	S	S	.	.	S	Bend	trans	-80.2	-11	176.4	57	0	0	0	0	113.6	R107	R107-S125 VanDerWaalsContact CD-O 3.27Å; R107-S125 WeakPolarHBondContact CD-O 3.33Å; R107-S125 PolarHBondContact NH1-O 3.34Å
126	N	94.8	Very high	96.2	Very high	37 Å²	37	61.5 Å²	61.5	20%	0.198	36%	0.355	C	S	.	.	S	Bend	trans	-139.4	137.3	-178.7	-174.7	12.5	0	0	0	110.7	I104 F124 S128 N129 L130	I104-N126 HydrophobicContact CG2-CB 4.27Å; F124-N126 VanDerWaalsContact C-N 3.31Å; N126-S128 VanDerWaalsContact C-N 3.35Å; N126-S128 PolarHBondContact O-N 3.35Å; N126-N129 HydrophobicContact CB-CB 4.44Å; N126-N129 WeakPolarHBondContact O-CB 3.27Å; N126-N129 PolarHBondContact O-N 3.47Å; N126-L130 PolarHBondContact O-N 2.98Å
127	S	95.9	Very high	96.2	Very high	54 Å²	54	60.5 Å²	60.5	38%	0.378	35%	0.345	S	S	.	.	H	α-helix	trans	-63.8	-38.2	-178.9	58.4	0	0	0	0	112.4	Y115 N129 L130 C131	Y115-S127 VanDerWaalsContact CD2-N 3.29Å; Y115-S127 VanDerWaalsContact CE2-N 3.33Å; S127-N129 PolarHBondContact O-N 3.4Å; S127-L130 WeakPolarHBondContact O-CB 3.47Å; S127-L130 PolarHBondContact O-N 2.98Å; S127-L130 VanDerWaalsContact O-N 3.13Å; S127-C131 PolarHBondContact O-N 3.12Å
128	S	93.5	Very high	96	Very high	67 Å²	67	64.3 Å²	64.3	47%	0.469	37%	0.368	S	S	.	.	H	α-helix	trans	-61	-34.9	176.9	-51.3	0	0	0	0	111.9	N126 M132	N126-S128 VanDerWaalsContact C-N 3.35Å; N126-S128 PolarHBondContact O-N 3.35Å; S128-M132 WeakPolarHBondContact O-CG 3.31Å; S128-M132 PolarHBondContact O-N 3.46Å
129	N	95.2	Very high	95.9	Very high	71 Å²	71	60.9 Å²	60.9	38%	0.38	35%	0.351	S	S	.	.	H	α-helix	trans	-71	-38	176.8	-68.5	-5.7	0	0	0	111.4	F124 N126 S127 H133	F124-N129 HydrophobicContact CB-CB 4.49Å; F124-N129 HydrophobicContact CD1-CB 3.97Å; N126-N129 HydrophobicContact CB-CB 4.44Å; N126-N129 WeakPolarHBondContact O-CB 3.27Å; N126-N129 PolarHBondContact O-N 3.47Å; S127-N129 PolarHBondContact O-N 3.4Å; N129-H133 VanDerWaalsContact O-CB 3.28Å; N129-H133 WeakPolarHBondContact O-CB 3.36Å; N129-H133 PolarHBondContact O-N 3Å
130	L	96.5	Very high	95.9	Very high	24 Å²	24	60.3 Å²	60.3	13%	0.126	35%	0.348	C	S	.	.	H	α-helix	trans	-62.1	-49.4	172.4	171.5	61.4	0	0	0	110.9	C117 F124 N126 S127 M132 H133 Q134	C117-L130 HydrophobicContact CB-CD1 3.72Å; F124-L130 HydrophobicContact CB-CB 4.27Å; F124-L130 HydrophobicContact CD2-CB 3.93Å; F124-L130 HydrophobicContact CD2-CD1 3.76Å; F124-L130 HydrophobicContact CD2-CG 4.43Å; F124-L130 HydrophobicContact CE2-CD1 3.89Å; F124-L130 HydrophobicContact CG-CB 4.18Å; N126-L130 PolarHBondContact O-N 2.98Å; S127-L130 WeakPolarHBondContact O-CB 3.47Å; S127-L130 PolarHBondContact O-N 2.98Å; S127-L130 VanDerWaalsContact O-N 3.13Å; L130-M132 VanDerWaalsContact C-N 3.32Å; L130-M132 PolarHBondContact O-N 3.18Å; L130-H133 CarbonylContact O-C 3.5Å; L130-H133 WeakPolarHBondContact O-CA 3.31Å; L130-H133 WeakPolarHBondContact O-CB 3.28Å; L130-H133 PolarHBondContact O-N 2.85Å; L130-Q134 HydrophobicContact CD1-CG 4.36Å; L130-Q134 WeakPolarHBondContact O-CG 3.43Å; L130-Q134 PolarHBondContact O-N 3.05Å
131	C	95.6	Very high	95.9	Very high	69 Å²	69	62.8 Å²	62.8	47%	0.466	35%	0.351	S	S	.	.	H	α-helix	trans	-57.4	-44.3	178.5	177.5	0	0	0	0	111.8	S127 H133 Q134	S127-C131 PolarHBondContact O-N 3.12Å; C131-H133 VanDerWaalsContact C-N 3.33Å; C131-H133 PolarHBondContact O-N 3.39Å; C131-Q134 PolarHBondContact O-N 3.15Å
132	M	94.8	Very high	95.8	Very high	73 Å²	73	63.7 Å²	63.7	36%	0.36	35%	0.347	S	S	.	.	H	α-helix	trans	-63	-39.4	173.2	-77.1	175	30.6	0	0	112.8	S128 L130 Q134 R135	S128-M132 WeakPolarHBondContact O-CG 3.31Å; S128-M132 PolarHBondContact O-N 3.46Å; L130-M132 VanDerWaalsContact C-N 3.32Å; L130-M132 PolarHBondContact O-N 3.18Å; M132-Q134 VanDerWaalsContact C-N 3.34Å; M132-R135 WeakPolarHBondContact O-CB 3.44Å; M132-R135 PolarHBondContact O-N 2.87Å
133	H	96.3	Very high	95.8	Very high	22 Å²	22	59 Å²	59	10%	0.102	33%	0.331	C	S	.	.	H	α-helix	trans	-65.5	-34.4	178.2	164.7	68.8	0	0	0	112.8	C120 F124 N129 L130 C131 R135 V136 H137	C120-H133 PolarHBondContact SG-NE2 3.1Å; F124-H133 HydrophobicContact CE1-CB 3.81Å; F124-H133 HydrophobicContact CE2-CB 3.99Å; F124-H133 AromaticContact CE2-CD2 3.31Å; F124-H133 WeakPolarHBondContact CE2-CD2 3.22Å; F124-H133 AromaticContact CE2-CG 3.66Å; F124-H133 AromaticContact CE2-NE2 3.91Å; F124-H133 HydrophobicContact CZ-CB 3.39Å; F124-H133 AromaticContact CZ-CD2 3.31Å; F124-H133 WeakPolarHBondContact CZ-CD2 3.16Å; F124-H133 AromaticContact CZ-CG 3.15Å; F124-H133 AromaticContact CZ-ND1 3.7Å; F124-H133 AromaticContact CZ-NE2 3.87Å; N129-H133 VanDerWaalsContact O-CB 3.28Å; N129-H133 WeakPolarHBondContact O-CB 3.36Å; N129-H133 PolarHBondContact O-N 3Å; L130-H133 CarbonylContact O-C 3.5Å; L130-H133 WeakPolarHBondContact O-CA 3.31Å; L130-H133 WeakPolarHBondContact O-CB 3.28Å; L130-H133 PolarHBondContact O-N 2.85Å; C131-H133 VanDerWaalsContact C-N 3.33Å; C131-H133 PolarHBondContact O-N 3.39Å; H133-R135 PolarHBondContact O-N 3.31Å; H133-V136 WeakPolarHBondContact O-CB 3.31Å; H133-V136 VanDerWaalsContact O-CG2 3.22Å; H133-V136 WeakPolarHBondContact O-CG2 3.43Å; H133-V136 PolarHBondContact O-N 2.85Å; H133-H137 AromaticContact CE1-NE2 3.72Å; H133-H137 AromaticContact NE2-CD2 3.95Å; H133-H137 AromaticContact NE2-NE2 3.45Å; H133-H137 PolarHBondContact NE2-NE2 3.45Å
134	Q	96.1	Very high	95.8	Very high	78 Å²	78	63.8 Å²	63.8	36%	0.364	35%	0.347	S	S	.	.	H	α-helix	trans	-56.7	-26.4	177.9	-74.4	175.3	-51.4	0	0	112.8	L130 C131 M132 V136 H137 T138	L130-Q134 HydrophobicContact CD1-CG 4.36Å; L130-Q134 WeakPolarHBondContact O-CG 3.43Å; L130-Q134 PolarHBondContact O-N 3.05Å; C131-Q134 PolarHBondContact O-N 3.15Å; M132-Q134 VanDerWaalsContact C-N 3.34Å; Q134-V136 PolarHBondContact O-N 3.48Å; Q134-V136 VanDerWaalsContact O-N 3.09Å; Q134-H137 WeakPolarHBondContact O-CB 3.22Å; Q134-H137 PolarHBondContact O-N 3.15Å; Q134-T138 PolarHBondContact O-N 2.73Å; Q134-T138 VanDerWaalsContact O-N 3.15Å
135	R	96.2	Very high	95.8	Very high	56 Å²	56	62.7 Å²	62.7	21%	0.211	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-13.2	172.5	-57.9	178.8	-174.5	158.3	5.2	114.2	M132 H133 H137 T138 G139 E140 R153	M132-R135 WeakPolarHBondContact O-CB 3.44Å; M132-R135 PolarHBondContact O-N 2.87Å; H133-R135 PolarHBondContact O-N 3.31Å; R135-H137 VanDerWaalsContact C-N 3.31Å; R135-T138 WeakPolarHBondContact CA-OG1 3.37Å; R135-G139 PolarHBondContact O-N 3.13Å; R135-E140 HydrophobicContact CB-CB 4.28Å; R135-E140 HydrophobicContact CG-CB 4.19Å; R135-R153 HydrophobicContact CB-CG 3.54Å; R135-R153 HydrophobicContact CG-CG 4.34Å; R135-R153 PolarHBondContact NH1-O 3.17Å; R135-R153 PolarHBondContact O-NE 3.34Å; R135-R153 PolarHBondContact O-NH2 3.45Å; R135-R153 VanDerWaalsContact O-NH2 3.08Å
136	V	96.2	Very high	95.9	Very high	72 Å²	72	69 Å²	69	44%	0.436	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-41.4	169.5	177.9	0	0	0	0	110.2	H133 Q134	H133-V136 WeakPolarHBondContact O-CB 3.31Å; H133-V136 VanDerWaalsContact O-CG2 3.22Å; H133-V136 WeakPolarHBondContact O-CG2 3.43Å; H133-V136 PolarHBondContact O-N 2.85Å; Q134-V136 PolarHBondContact O-N 3.48Å; Q134-V136 VanDerWaalsContact O-N 3.09Å
137	H	96.8	Very high	95.9	Very high	63 Å²	63	73.2 Å²	73.2	29%	0.292	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-49.1	-176.5	-67.9	-75.9	0	0	0	112.5	C117 E119 H133 Q134 R135 G139	C117-H137 PolarHBondContact SG-NE2 2.73Å; E119-H137 WeakPolarHBondContact OE1-CB 3.47Å; E119-H137 IonicContact OE1-CG 3.28Å; E119-H137 WeakPolarHBondContact OE2-CB 3.28Å; E119-H137 IonicContact OE2-CE1 2.74Å; E119-H137 IonicContact OE2-CG 3.1Å; E119-H137 IonicContact OE2-ND1 3.2Å; E119-H137 PolarHBondContact OE2-ND1 3.24Å; H133-H137 AromaticContact CE1-NE2 3.72Å; H133-H137 AromaticContact NE2-CD2 3.95Å; H133-H137 AromaticContact NE2-NE2 3.45Å; H133-H137 PolarHBondContact NE2-NE2 3.45Å; Q134-H137 WeakPolarHBondContact O-CB 3.22Å; Q134-H137 PolarHBondContact O-N 3.15Å; R135-H137 VanDerWaalsContact C-N 3.31Å; H137-G139 PolarHBondContact O-N 2.8Å
138	T	94.8	Very high	95.9	Very high	81 Å²	81	73.8 Å²	73.8	50%	0.497	39%	0.39	S	S	.	.	S	Bend	trans	-71.3	-14	179.7	65.2	0	0	0	0	113.1	Q134 R135 E140	Q134-T138 PolarHBondContact O-N 2.73Å; Q134-T138 VanDerWaalsContact O-N 3.15Å; R135-T138 WeakPolarHBondContact CA-OG1 3.37Å; T138-E140 PolarHBondContact O-N 3.18Å; T138-E140 WeakPolarHBondContact OG1-CB 3.36Å; T138-E140 VanDerWaalsContact OG1-CG 3.3Å; T138-E140 WeakPolarHBondContact OG1-CG 3.37Å; T138-E140 PolarHBondContact OG1-N 3.25Å
139	G	94.1	Very high	96.1	Very high	39 Å²	39	72.3 Å²	72.3	40%	0.402	39%	0.385	S	S	.	.			trans	70.4	2.7	-173.2	0	0	0	0	0	114.1	R135 H137 K141	R135-G139 PolarHBondContact O-N 3.13Å; H137-G139 PolarHBondContact O-N 2.8Å; G139-K141 PolarHBondContact O-N 3.06Å
140	E	96	Very high	96.2	Very high	107 Å²	107	74.7 Å²	74.7	50%	0.5	39%	0.392	S	S	.	.			trans	-56.4	133.8	-177.6	-80.9	-179.5	-172.2	0	0	112.7	R135 T138	R135-E140 HydrophobicContact CB-CB 4.28Å; R135-E140 HydrophobicContact CG-CB 4.19Å; T138-E140 PolarHBondContact O-N 3.18Å; T138-E140 WeakPolarHBondContact OG1-CB 3.36Å; T138-E140 VanDerWaalsContact OG1-CG 3.3Å; T138-E140 WeakPolarHBondContact OG1-CG 3.37Å; T138-E140 PolarHBondContact OG1-N 3.25Å
141	K	96.4	Very high	96.2	Very high	119 Å²	119	75.1 Å²	75.1	52%	0.517	40%	0.399	S	S	.	.			trans	-133.3	76.1	177.7	-70.7	167.5	-179.8	-179.1	0	109.5	G139 F143 A151 F152	G139-K141 PolarHBondContact O-N 3.06Å; K141-F143 PolarHBondContact O-N 3.27Å; K141-F143 VanDerWaalsContact O-N 3.14Å; K141-A151 HydrophobicContact CB-CB 3.57Å; K141-A151 HydrophobicContact CD-CB 4.25Å; K141-A151 WeakPolarHBondContact CD-O 3.47Å; K141-F152 CarbonylContact C-O 3.58Å; K141-F152 VanDerWaalsContact C-O 3.23Å; K141-F152 VanDerWaalsContact CA-O 3.27Å; K141-F152 WeakPolarHBondContact CA-O 3.1Å
142	P	95.3	Very high	96.3	Very high	71 Å²	71	73.3 Å²	73.3	46%	0.461	38%	0.383	S	S	.	.			trans	-66.6	-17.9	-171.5	-21.7	34.4	0	0	0	114.2
143	F	97.4	Very high	96.4	Very high	57 Å²	57	73.2 Å²	73.2	25%	0.25	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	98.5	-172.9	-54.1	-71.8	0	0	0	110.1	K141 A151 F152 R153 H154 T155 L158	K141-F143 PolarHBondContact O-N 3.27Å; K141-F143 VanDerWaalsContact O-N 3.14Å; F143-A151 CarbonylContact O-C 3.58Å; F143-A151 WeakPolarHBondContact O-CA 3.46Å; F143-F152 HydrophobicContact CB-CB 4.43Å; F143-F152 WeakPolarHBondContact CD2-O 3.47Å; F143-F152 PolarHBondContact N-O 3.4Å; F143-F152 VanDerWaalsContact N-O 3.14Å; F143-F152 PolarHBondContact O-N 3.16Å; F143-R153 WeakPolarHBondContact CD2-O 3.09Å; F143-R153 VanDerWaalsContact CE2-O 3.31Å; F143-R153 WeakPolarHBondContact CE2-O 3.42Å; F143-H154 VanDerWaalsContact CD2-C 3.41Å; F143-T155 WeakPolarHBondContact CD1-OG1 3.35Å; F143-T155 WeakPolarHBondContact CE1-OG1 3.47Å; F143-T155 WeakPolarHBondContact CZ-OG1 3.45Å; F143-L158 HydrophobicContact CB-CB 4.13Å; F143-L158 HydrophobicContact CB-CD2 3.87Å
144	K	97.9	Very high	96.3	Very high	118 Å²	118	75.3 Å²	75.3	51%	0.513	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	139.6	-179.8	-166.7	176.8	174.9	-171.9	0	111
145	C	97.3	Very high	96.3	Very high	2 Å²	2	75.4 Å²	75.4	1%	0.014	40%	0.395	C	S	.	.			trans	-80.4	120.8	165.1	178	0	0	0	0	108.7	E147 C148 G149 K150 F152 L158 H165	C145-E147 VanDerWaalsContact C-N 3.28Å; C145-E147 PolarHBondContact O-N 3.11Å; C145-C148 VanDerWaalsContact SG-SG 3.69Å; C145-G149 WeakPolarHBondContact O-CA 3.47Å; C145-G149 PolarHBondContact O-N 3.05Å; C145-K150 WeakPolarHBondContact CB-O 3.27Å; C145-K150 PolarHBondContact N-O 3.46Å; C145-F152 HydrophobicContact CB-CE2 4.4Å; C145-L158 HydrophobicContact CB-CD1 3.7Å; C145-H165 PolarHBondContact SG-NE2 3.29Å
146	E	95.9	Very high	96.2	Very high	168 Å²	168	76.8 Å²	76.8	79%	0.785	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-30.7	179.5	-63.8	-55.6	141	0	0	112.4
147	E	95.9	Very high	96.2	Very high	127 Å²	127	75 Å²	75	59%	0.593	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-40	-175.9	-65.5	-177.6	-135.1	0	0	114.1	C145 H165	C145-E147 VanDerWaalsContact C-N 3.28Å; C145-E147 PolarHBondContact O-N 3.11Å; E147-H165 WeakPolarHBondContact OE2-CB 3.43Å; E147-H165 IonicContact OE2-CD2 3.14Å; E147-H165 IonicContact OE2-CG 3.81Å; E147-H165 IonicContact OE2-ND1 3.68Å; E147-H165 PolarHBondContact OE2-ND1 3.43Å
148	C	96.7	Very high	96.3	Very high	66 Å²	66	73.1 Å²	73.1	45%	0.446	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.5	2	-178.8	68.1	0	0	0	0	114.7	C145 K150 H161	C145-C148 VanDerWaalsContact SG-SG 3.69Å; C148-K150 PolarHBondContact O-N 2.92Å; C148-K150 WeakPolarHBondContact SG-CB 3.25Å; C148-H161 PolarHBondContact SG-NE2 3.28Å
149	G	96.4	Very high	96.3	Very high	35 Å²	35	72.2 Å²	72.2	36%	0.361	39%	0.392	S	S	.	.			trans	70.1	-2.3	-177.9	0	0	0	0	0	115.2	C145 A151	C145-G149 WeakPolarHBondContact O-CA 3.47Å; C145-G149 PolarHBondContact O-N 3.05Å; G149-A151 PolarHBondContact O-N 3.39Å
150	K	97.6	Very high	96.5	Very high	121 Å²	121	73.9 Å²	73.9	53%	0.526	39%	0.39	S	S	.	.			trans	-67	130.4	-178.4	-169.4	169.5	-177.9	172.9	0	110.7	C145 C148 F152	C145-K150 WeakPolarHBondContact CB-O 3.27Å; C145-K150 PolarHBondContact N-O 3.46Å; C148-K150 PolarHBondContact O-N 2.92Å; C148-K150 WeakPolarHBondContact SG-CB 3.25Å; K150-F152 HydrophobicContact CB-CE2 4.17Å; K150-F152 HydrophobicContact CB-CZ 4.3Å; K150-F152 HydrophobicContact CD-CE1 4.47Å; K150-F152 HydrophobicContact CD-CE2 4.48Å; K150-F152 HydrophobicContact CD-CZ 3.8Å; K150-F152 HydrophobicContact CG-CE2 4.01Å; K150-F152 HydrophobicContact CG-CZ 3.76Å; K150-F152 WeakPolarHBondContact O-CE2 3.23Å
151	A	97.6	Very high	96.5	Very high	34 Å²	34	69.9 Å²	69.9	28%	0.281	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	147.2	-177	0	0	0	0	0	112.9	K141 F143 G149	K141-A151 HydrophobicContact CB-CB 3.57Å; K141-A151 HydrophobicContact CD-CB 4.25Å; K141-A151 WeakPolarHBondContact CD-O 3.47Å; F143-A151 CarbonylContact O-C 3.58Å; F143-A151 WeakPolarHBondContact O-CA 3.46Å; G149-A151 PolarHBondContact O-N 3.39Å
152	F	97.2	Very high	96.6	Very high	30 Å²	30	68.3 Å²	68.3	13%	0.132	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	150.3	-176.2	-58.4	-89.3	0	0	0	111.8	K141 F143 C145 K150 L158 H161	K141-F152 CarbonylContact C-O 3.58Å; K141-F152 VanDerWaalsContact C-O 3.23Å; K141-F152 VanDerWaalsContact CA-O 3.27Å; K141-F152 WeakPolarHBondContact CA-O 3.1Å; F143-F152 HydrophobicContact CB-CB 4.43Å; F143-F152 WeakPolarHBondContact CD2-O 3.47Å; F143-F152 PolarHBondContact N-O 3.4Å; F143-F152 VanDerWaalsContact N-O 3.14Å; F143-F152 PolarHBondContact O-N 3.16Å; C145-F152 HydrophobicContact CB-CE2 4.4Å; K150-F152 HydrophobicContact CB-CE2 4.17Å; K150-F152 HydrophobicContact CB-CZ 4.3Å; K150-F152 HydrophobicContact CD-CE1 4.47Å; K150-F152 HydrophobicContact CD-CE2 4.48Å; K150-F152 HydrophobicContact CD-CZ 3.8Å; K150-F152 HydrophobicContact CG-CE2 4.01Å; K150-F152 HydrophobicContact CG-CZ 3.76Å; K150-F152 WeakPolarHBondContact O-CE2 3.23Å; F152-L158 HydrophobicContact CB-CB 4.36Å; F152-L158 HydrophobicContact CD2-CB 3.91Å; F152-L158 HydrophobicContact CD2-CD1 3.84Å; F152-L158 HydrophobicContact CD2-CG 4.48Å; F152-L158 HydrophobicContact CE2-CD1 3.99Å; F152-L158 HydrophobicContact CG-CB 4.3Å; F152-H161 HydrophobicContact CE1-CB 3.85Å; F152-H161 HydrophobicContact CE2-CB 3.85Å; F152-H161 AromaticContact CE2-CD2 3.22Å; F152-H161 WeakPolarHBondContact CE2-CD2 3.09Å; F152-H161 AromaticContact CE2-CG 3.6Å; F152-H161 AromaticContact CE2-NE2 3.9Å; F152-H161 HydrophobicContact CZ-CB 3.35Å; F152-H161 AromaticContact CZ-CD2 3.28Å; F152-H161 WeakPolarHBondContact CZ-CD2 3.5Å; F152-H161 AromaticContact CZ-CG 3.15Å; F152-H161 AromaticContact CZ-ND1 3.76Å; F152-H161 AromaticContact CZ-NE2 3.86Å
153	R	96.1	Very high	96.7	Very high	72 Å²	72	67.5 Å²	67.5	27%	0.272	35%	0.353	S	S	.	.	S	Bend	trans	-75.7	-29.6	177.9	-171.3	176.8	-69.4	132.6	1.8	113.1	R135 F143	R135-R153 HydrophobicContact CB-CG 3.54Å; R135-R153 HydrophobicContact CG-CG 4.34Å; R135-R153 PolarHBondContact NH1-O 3.17Å; R135-R153 PolarHBondContact O-NE 3.34Å; R135-R153 PolarHBondContact O-NH2 3.45Å; R135-R153 VanDerWaalsContact O-NH2 3.08Å; F143-R153 WeakPolarHBondContact CD2-O 3.09Å; F143-R153 VanDerWaalsContact CE2-O 3.31Å; F143-R153 WeakPolarHBondContact CE2-O 3.42Å
154	H	94.8	Very high	96.6	Very high	65 Å²	65	70 Å²	70	30%	0.301	37%	0.374	S	S	.	.	S	Bend	trans	-125.8	143.8	-176.8	-54.9	161.3	0	0	0	111	F143 S156 S157 L158	F143-H154 VanDerWaalsContact CD2-C 3.41Å; H154-S156 VanDerWaalsContact C-N 3.31Å; H154-S156 PolarHBondContact O-N 3.25Å; H154-S157 WeakPolarHBondContact O-CB 3.46Å; H154-S157 PolarHBondContact O-N 2.89Å; H154-L158 PolarHBondContact O-N 3.16Å
155	T	95.6	Very high	96.6	Very high	81 Å²	81	67.6 Å²	67.6	50%	0.497	36%	0.364	S	S	.	.	H	α-helix	trans	-61.5	-37.5	176.5	-43.7	0	0	0	0	112.5	F143 S157 L158 C159	F143-T155 WeakPolarHBondContact CD1-OG1 3.35Å; F143-T155 WeakPolarHBondContact CE1-OG1 3.47Å; F143-T155 WeakPolarHBondContact CZ-OG1 3.45Å; T155-S157 VanDerWaalsContact C-N 3.25Å; T155-S157 PolarHBondContact O-N 3Å; T155-L158 PolarHBondContact O-N 2.89Å; T155-L158 VanDerWaalsContact O-N 3.16Å; T155-C159 PolarHBondContact O-N 3.45Å
156	S	94.8	Very high	96.5	Very high	84 Å²	84	71.3 Å²	71.3	59%	0.587	39%	0.386	S	S	*	.	H	α-helix	trans	-61.9	-35.3	177.3	53.9	0	0	0	0	112.2	H154 M160	H154-S156 VanDerWaalsContact C-N 3.31Å; H154-S156 PolarHBondContact O-N 3.25Å; S156-M160 WeakPolarHBondContact O-CB 3.49Å; S156-M160 PolarHBondContact O-N 3.18Å
157	S	96.6	Very high	96.5	Very high	36 Å²	36	65.6 Å²	65.6	25%	0.252	37%	0.373	S	S	.	.	H	α-helix	trans	-69.2	-39.1	175.3	-56.2	0	0	0	0	112	H154 T155 H161	H154-S157 WeakPolarHBondContact O-CB 3.46Å; H154-S157 PolarHBondContact O-N 2.89Å; T155-S157 VanDerWaalsContact C-N 3.25Å; T155-S157 PolarHBondContact O-N 3Å; S157-H161 VanDerWaalsContact O-CB 3.28Å; S157-H161 WeakPolarHBondContact O-CB 3.39Å; S157-H161 PolarHBondContact O-N 3.22Å
158	L	97.4	Very high	96.6	Very high	22 Å²	22	64.9 Å²	64.9	12%	0.115	37%	0.369	C	S	.	.	H	α-helix	trans	-63.2	-50.1	172.7	172.4	60.7	0	0	0	111.2	F143 C145 F152 H154 T155 M160 H161 Q162	F143-L158 HydrophobicContact CB-CB 4.13Å; F143-L158 HydrophobicContact CB-CD2 3.87Å; C145-L158 HydrophobicContact CB-CD1 3.7Å; F152-L158 HydrophobicContact CB-CB 4.36Å; F152-L158 HydrophobicContact CD2-CB 3.91Å; F152-L158 HydrophobicContact CD2-CD1 3.84Å; F152-L158 HydrophobicContact CD2-CG 4.48Å; F152-L158 HydrophobicContact CE2-CD1 3.99Å; F152-L158 HydrophobicContact CG-CB 4.3Å; H154-L158 PolarHBondContact O-N 3.16Å; T155-L158 PolarHBondContact O-N 2.89Å; T155-L158 VanDerWaalsContact O-N 3.16Å; L158-M160 VanDerWaalsContact C-N 3.31Å; L158-M160 PolarHBondContact O-N 3.47Å; L158-H161 CarbonylContact O-C 3.53Å; L158-H161 WeakPolarHBondContact O-CA 3.31Å; L158-H161 WeakPolarHBondContact O-CB 3.47Å; L158-H161 PolarHBondContact O-N 3.02Å; L158-Q162 HydrophobicContact CD1-CG 4.29Å; L158-Q162 WeakPolarHBondContact O-CG 3.45Å; L158-Q162 PolarHBondContact O-N 2.86Å
159	C	96.4	Very high	96.6	Very high	62 Å²	62	67.8 Å²	67.8	42%	0.419	38%	0.375	S	S	.	.	H	α-helix	trans	-58.4	-43.1	179.1	176.9	0	0	0	0	112	T155 H161 Q162	T155-C159 PolarHBondContact O-N 3.45Å; C159-H161 VanDerWaalsContact C-N 3.33Å; C159-H161 PolarHBondContact O-N 3.4Å; C159-Q162 PolarHBondContact O-N 3.02Å
160	M	96.7	Very high	96.6	Very high	75 Å²	75	69.6 Å²	69.6	37%	0.369	38%	0.38	S	S	.	.	H	α-helix	trans	-63.3	-40.1	173.6	-179.1	-175.4	70.7	0	0	112	S156 L158 R163 Q182	S156-M160 WeakPolarHBondContact O-CB 3.49Å; S156-M160 PolarHBondContact O-N 3.18Å; L158-M160 VanDerWaalsContact C-N 3.31Å; L158-M160 PolarHBondContact O-N 3.47Å; M160-R163 WeakPolarHBondContact O-CB 3.48Å; M160-R163 PolarHBondContact O-N 3.2Å; M160-Q182 HydrophobicContact CG-CG 4.24Å; M160-Q182 VanDerWaalsContact SD-CD 3.51Å; M160-Q182 HydrophobicContact SD-CG 3.88Å; M160-Q182 PolarHBondContact SD-NE2 3.08Å
161	H	97.4	Very high	96.6	Very high	23 Å²	23	67.6 Å²	67.6	11%	0.106	37%	0.37	C	S	.	.	H	α-helix	trans	-66.1	-35.5	178.5	165.4	64	0	0	0	112.9	C148 F152 S157 L158 C159 R163 V164 H165	C148-H161 PolarHBondContact SG-NE2 3.28Å; F152-H161 HydrophobicContact CE1-CB 3.85Å; F152-H161 HydrophobicContact CE2-CB 3.85Å; F152-H161 AromaticContact CE2-CD2 3.22Å; F152-H161 WeakPolarHBondContact CE2-CD2 3.09Å; F152-H161 AromaticContact CE2-CG 3.6Å; F152-H161 AromaticContact CE2-NE2 3.9Å; F152-H161 HydrophobicContact CZ-CB 3.35Å; F152-H161 AromaticContact CZ-CD2 3.28Å; F152-H161 WeakPolarHBondContact CZ-CD2 3.5Å; F152-H161 AromaticContact CZ-CG 3.15Å; F152-H161 AromaticContact CZ-ND1 3.76Å; F152-H161 AromaticContact CZ-NE2 3.86Å; S157-H161 VanDerWaalsContact O-CB 3.28Å; S157-H161 WeakPolarHBondContact O-CB 3.39Å; S157-H161 PolarHBondContact O-N 3.22Å; L158-H161 CarbonylContact O-C 3.53Å; L158-H161 WeakPolarHBondContact O-CA 3.31Å; L158-H161 WeakPolarHBondContact O-CB 3.47Å; L158-H161 PolarHBondContact O-N 3.02Å; C159-H161 VanDerWaalsContact C-N 3.33Å; C159-H161 PolarHBondContact O-N 3.4Å; H161-R163 PolarHBondContact O-N 3.21Å; H161-V164 VanDerWaalsContact O-CB 3.23Å; H161-V164 WeakPolarHBondContact O-CB 3.5Å; H161-V164 WeakPolarHBondContact O-CG2 3.13Å; H161-V164 PolarHBondContact O-N 2.79Å; H161-H165 AromaticContact CE1-NE2 3.68Å; H161-H165 AromaticContact NE2-NE2 3.45Å; H161-H165 PolarHBondContact NE2-NE2 2.84Å
162	Q	97.3	Very high	96.7	Very high	86 Å²	86	71.7 Å²	71.7	40%	0.402	38%	0.381	S	S	.	.	H	α-helix	trans	-56.2	-25.8	177	-74.8	174.5	-50.5	0	0	112.7	L158 C159 V164 H165 T166	L158-Q162 HydrophobicContact CD1-CG 4.29Å; L158-Q162 WeakPolarHBondContact O-CG 3.45Å; L158-Q162 PolarHBondContact O-N 2.86Å; C159-Q162 PolarHBondContact O-N 3.02Å; Q162-V164 PolarHBondContact O-N 3.1Å; Q162-H165 WeakPolarHBondContact O-CB 3.27Å; Q162-H165 PolarHBondContact O-N 3.46Å; Q162-T166 PolarHBondContact O-N 3.44Å; Q162-T166 VanDerWaalsContact O-N 3.12Å
163	R	97.1	Very high	96.7	Very high	53 Å²	53	70.3 Å²	70.3	20%	0.2	38%	0.375	C	S	.	.	H	α-helix	trans	-63.9	-18.9	173.3	-59.4	-175.9	-177.5	143.1	8.6	114.4	M160 H161 H165 T166 G167 E168 S181	M160-R163 WeakPolarHBondContact O-CB 3.48Å; M160-R163 PolarHBondContact O-N 3.2Å; H161-R163 PolarHBondContact O-N 3.21Å; R163-H165 VanDerWaalsContact C-N 3.27Å; R163-T166 WeakPolarHBondContact CA-OG1 3.42Å; R163-G167 VanDerWaalsContact O-CA 3.31Å; R163-G167 WeakPolarHBondContact O-CA 3.05Å; R163-G167 PolarHBondContact O-N 3.33Å; R163-E168 HydrophobicContact CB-CB 4.42Å; R163-E168 HydrophobicContact CG-CB 4.21Å; R163-E168 PolarHBondContact O-N 3.5Å; R163-S181 PolarHBondContact NH1-O 3.3Å
164	V	96.9	Very high	96.7	Very high	111 Å²	111	77.2 Å²	77.2	67%	0.673	40%	0.403	S	S	*	.	H	α-helix	trans	-67.5	-34.8	172.1	177.9	0	0	0	0	110.5	H161 Q162	H161-V164 VanDerWaalsContact O-CB 3.23Å; H161-V164 WeakPolarHBondContact O-CB 3.5Å; H161-V164 WeakPolarHBondContact O-CG2 3.13Å; H161-V164 PolarHBondContact O-N 2.79Å; Q162-V164 PolarHBondContact O-N 3.1Å
165	H	97.3	Very high	96.7	Very high	66 Å²	66	80.3 Å²	80.3	31%	0.306	42%	0.418	S	S	.	.	H	α-helix	trans	-80.4	-47.7	179.4	-65.3	-67.5	0	0	0	112	C145 E147 H161 Q162 R163 G167	C145-H165 PolarHBondContact SG-NE2 3.29Å; E147-H165 WeakPolarHBondContact OE2-CB 3.43Å; E147-H165 IonicContact OE2-CD2 3.14Å; E147-H165 IonicContact OE2-CG 3.81Å; E147-H165 IonicContact OE2-ND1 3.68Å; E147-H165 PolarHBondContact OE2-ND1 3.43Å; H161-H165 AromaticContact CE1-NE2 3.68Å; H161-H165 AromaticContact NE2-NE2 3.45Å; H161-H165 PolarHBondContact NE2-NE2 2.84Å; Q162-H165 WeakPolarHBondContact O-CB 3.27Å; Q162-H165 PolarHBondContact O-N 3.46Å; R163-H165 VanDerWaalsContact C-N 3.27Å; H165-G167 VanDerWaalsContact C-N 3.26Å; H165-G167 PolarHBondContact O-N 2.92Å
166	T	95.7	Very high	96.8	Very high	80 Å²	80	79.1 Å²	79.1	49%	0.491	41%	0.412	S	S	.	.	H	α-helix	trans	-75.7	-17	-179.1	64.5	0	0	0	0	113.1	Q162 R163 E168	Q162-T166 PolarHBondContact O-N 3.44Å; Q162-T166 VanDerWaalsContact O-N 3.12Å; R163-T166 WeakPolarHBondContact CA-OG1 3.42Å; T166-E168 PolarHBondContact O-N 2.9Å; T166-E168 WeakPolarHBondContact OG1-CB 3.3Å; T166-E168 WeakPolarHBondContact OG1-CG 3.38Å; T166-E168 PolarHBondContact OG1-N 3.36Å
167	G	95.5	Very high	96.9	Very high	49 Å²	49	77 Å²	77	51%	0.505	40%	0.403	S	S	.	.			trans	69.8	6.7	-172.5	0	0	0	0	0	113.9	R163 H165 K169	R163-G167 VanDerWaalsContact O-CA 3.31Å; R163-G167 WeakPolarHBondContact O-CA 3.05Å; R163-G167 PolarHBondContact O-N 3.33Å; H165-G167 VanDerWaalsContact C-N 3.26Å; H165-G167 PolarHBondContact O-N 2.92Å; G167-K169 PolarHBondContact O-N 3Å
168	E	97.3	Very high	97	Very high	111 Å²	111	81.5 Å²	81.5	52%	0.519	42%	0.418	S	S	.	.			trans	-58.6	131.9	-176.9	-81.8	-176.5	179.1	0	0	112.5	R163 T166	R163-E168 HydrophobicContact CB-CB 4.42Å; R163-E168 HydrophobicContact CG-CB 4.21Å; R163-E168 PolarHBondContact O-N 3.5Å; T166-E168 PolarHBondContact O-N 2.9Å; T166-E168 WeakPolarHBondContact OG1-CB 3.3Å; T166-E168 WeakPolarHBondContact OG1-CG 3.38Å; T166-E168 PolarHBondContact OG1-N 3.36Å
169	K	97.3	Very high	97	Very high	127 Å²	127	82.1 Å²	82.1	55%	0.552	43%	0.426	S	S	*	.			trans	-130.3	75.6	178	-71.5	169.5	174.7	-175.1	0	110.5	G167 Y171 A179 F180	G167-K169 PolarHBondContact O-N 3Å; K169-Y171 PolarHBondContact O-N 2.91Å; K169-Y171 VanDerWaalsContact O-N 3.16Å; K169-A179 HydrophobicContact CB-CB 3.61Å; K169-A179 HydrophobicContact CD-CB 4.34Å; K169-A179 WeakPolarHBondContact CD-O 3.4Å; K169-F180 CarbonylContact C-O 3.26Å; K169-F180 VanDerWaalsContact C-O 3.22Å; K169-F180 VanDerWaalsContact CA-O 3.26Å; K169-F180 WeakPolarHBondContact CA-O 3.38Å
170	P	96.3	Very high	97.1	Very high	73 Å²	73	81.2 Å²	81.2	47%	0.474	42%	0.415	S	S	.	.			trans	-66.7	-19	-172.3	-21.2	34.2	0	0	0	114.1
171	Y	98.1	Very high	97.1	Very high	79 Å²	79	79.8 Å²	79.8	31%	0.31	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	96.7	-172.1	-55.5	-78.9	0	0	0	110.3	K169 A179 F180	K169-Y171 PolarHBondContact O-N 2.91Å; K169-Y171 VanDerWaalsContact O-N 3.16Å; Y171-A179 CarbonylContact O-C 3.6Å; Y171-A179 WeakPolarHBondContact O-CA 3.43Å; Y171-F180 WeakPolarHBondContact CB-O 3.25Å; Y171-F180 WeakPolarHBondContact CD2-O 3.44Å; Y171-F180 PolarHBondContact N-O 3.21Å; Y171-F180 VanDerWaalsContact N-O 3.11Å; Y171-F180 PolarHBondContact O-N 3.09Å
172	K	98.2	Very high	97	Very high	120 Å²	120	82 Å²	82	52%	0.522	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	134.2	-178.6	-169.6	173.9	179.7	-178.9	0	111.6
173	C	97.7	Very high	97	Very high	1 Å²	1	81 Å²	81	1%	0.007	43%	0.425	C	S	.	.			trans	-77.6	121.8	165.9	179.2	0	0	0	0	109.1	E175 G177 K178 F180 L186 H193	C173-E175 VanDerWaalsContact C-N 3.33Å; C173-G177 WeakPolarHBondContact O-CA 3.35Å; C173-G177 PolarHBondContact O-N 3.37Å; C173-K178 WeakPolarHBondContact CB-O 3.4Å; C173-K178 PolarHBondContact N-O 2.94Å; C173-F180 HydrophobicContact CB-CE2 4.42Å; C173-L186 HydrophobicContact CB-CD1 3.67Å; C173-H193 PolarHBondContact SG-NE2 2.7Å
174	Y	95.9	Very high	97	Very high	218 Å²	218	81.3 Å²	81.3	86%	0.855	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-29.2	180	-66.7	-71.9	0	0	0	113.1
175	E	96.3	Very high	97	Very high	130 Å²	130	78.1 Å²	78.1	61%	0.607	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-39	-176	-64.9	174.6	-128.2	0	0	113.4	C173 H193	C173-E175 VanDerWaalsContact C-N 3.33Å; E175-H193 IonicContact OE1-CD2 3.85Å; E175-H193 WeakPolarHBondContact OE2-CB 3.35Å; E175-H193 IonicContact OE2-CD2 3.95Å; E175-H193 PolarHBondContact OE2-CD2 3.31Å; E175-H193 VanDerWaalsContact OE2-CD2 3.3Å; E175-H193 IonicContact OE2-CG 3.3Å; E175-H193 IonicContact OE2-ND1 3.88Å
176	C	97	Very high	97	Very high	56 Å²	56	76.1 Å²	76.1	38%	0.378	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.9	2.3	-178.1	75.9	0	0	0	0	114.7	K178 H189	C176-K178 PolarHBondContact O-N 3.15Å; C176-K178 VanDerWaalsContact SG-CB 3.57Å; C176-K178 VanDerWaalsContact SG-CG 3.54Å; C176-H189 PolarHBondContact SG-NE2 3.07Å
177	G	96.7	Very high	97.1	Very high	38 Å²	38	75.3 Å²	75.3	39%	0.392	41%	0.407	S	S	.	.			trans	71.3	-7.7	-179.4	0	0	0	0	0	115.7	C173 A179	C173-G177 WeakPolarHBondContact O-CA 3.35Å; C173-G177 PolarHBondContact O-N 3.37Å; G177-A179 PolarHBondContact O-N 3.37Å
178	K	97.9	Very high	97.2	Very high	131 Å²	131	76 Å²	76	57%	0.57	40%	0.398	S	S	*	.			trans	-61.5	135.7	178.4	-71.7	-177.7	-177.6	178.7	0	110.9	C173 C176 F180	C173-K178 WeakPolarHBondContact CB-O 3.4Å; C173-K178 PolarHBondContact N-O 2.94Å; C176-K178 PolarHBondContact O-N 3.15Å; C176-K178 VanDerWaalsContact SG-CB 3.57Å; C176-K178 VanDerWaalsContact SG-CG 3.54Å; K178-F180 HydrophobicContact CB-CE2 4.1Å; K178-F180 HydrophobicContact CB-CZ 4.18Å
179	A	97.8	Very high	97.2	Very high	35 Å²	35	71.8 Å²	71.8	29%	0.289	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	147.4	-179.9	0	0	0	0	0	112	K169 Y171 G177	K169-A179 HydrophobicContact CB-CB 3.61Å; K169-A179 HydrophobicContact CD-CB 4.34Å; K169-A179 WeakPolarHBondContact CD-O 3.4Å; Y171-A179 CarbonylContact O-C 3.6Å; Y171-A179 WeakPolarHBondContact O-CA 3.43Å; G177-A179 PolarHBondContact O-N 3.37Å
180	F	97.9	Very high	97.2	Very high	44 Å²	44	69.4 Å²	69.4	19%	0.193	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	149.5	-176.5	-57.1	-89.5	0	0	0	110.7	K169 Y171 C173 K178 Q182 L186 H189	K169-F180 CarbonylContact C-O 3.26Å; K169-F180 VanDerWaalsContact C-O 3.22Å; K169-F180 VanDerWaalsContact CA-O 3.26Å; K169-F180 WeakPolarHBondContact CA-O 3.38Å; Y171-F180 WeakPolarHBondContact CB-O 3.25Å; Y171-F180 WeakPolarHBondContact CD2-O 3.44Å; Y171-F180 PolarHBondContact N-O 3.21Å; Y171-F180 VanDerWaalsContact N-O 3.11Å; Y171-F180 PolarHBondContact O-N 3.09Å; C173-F180 HydrophobicContact CB-CE2 4.42Å; K178-F180 HydrophobicContact CB-CE2 4.1Å; K178-F180 HydrophobicContact CB-CZ 4.18Å; F180-Q182 VanDerWaalsContact C-N 3.31Å; F180-L186 HydrophobicContact CB-CB 4.43Å; F180-L186 HydrophobicContact CD2-CB 3.89Å; F180-L186 HydrophobicContact CD2-CD1 3.85Å; F180-L186 HydrophobicContact CD2-CG 4.48Å; F180-L186 HydrophobicContact CE2-CD1 3.97Å; F180-L186 HydrophobicContact CG-CB 4.35Å; F180-H189 HydrophobicContact CE1-CB 3.96Å; F180-H189 HydrophobicContact CE2-CB 3.81Å; F180-H189 AromaticContact CE2-CD2 3.42Å; F180-H189 VanDerWaalsContact CE2-CD2 3.42Å; F180-H189 WeakPolarHBondContact CE2-CD2 3.31Å; F180-H189 AromaticContact CE2-CG 3.59Å; F180-H189 HydrophobicContact CZ-CB 3.39Å; F180-H189 AromaticContact CZ-CD2 3.49Å; F180-H189 VanDerWaalsContact CZ-CD2 3.49Å; F180-H189 WeakPolarHBondContact CZ-CD2 3.38Å; F180-H189 AromaticContact CZ-CG 3.19Å; F180-H189 AromaticContact CZ-ND1 3.71Å
181	S	97	Very high	97.3	Very high	44 Å²	44	68 Å²	68	31%	0.308	36%	0.355	S	S	.	.	S	Bend	trans	-80.8	-13	176.5	58	0	0	0	0	113.2	R163	R163-S181 PolarHBondContact NH1-O 3.3Å
182	Q	96.9	Very high	97.2	Very high	69 Å²	69	69.4 Å²	69.4	32%	0.322	37%	0.371	S	S	.	.	S	Bend	trans	-133.5	143.2	179.9	-59.5	-178.9	30.3	0	0	111.4	M160 F180 S185 L186	M160-Q182 HydrophobicContact CG-CG 4.24Å; M160-Q182 VanDerWaalsContact SD-CD 3.51Å; M160-Q182 HydrophobicContact SD-CG 3.88Å; M160-Q182 PolarHBondContact SD-NE2 3.08Å; F180-Q182 VanDerWaalsContact C-N 3.31Å; Q182-S185 PolarHBondContact O-N 3.43Å; Q182-L186 PolarHBondContact O-N 2.99Å
183	S	97.1	Very high	97.2	Very high	66 Å²	66	66.8 Å²	66.8	46%	0.462	36%	0.36	S	S	.	.	H	α-helix	trans	-65.7	-37.3	178.1	55.1	0	0	0	0	112.7	S185 L186 C187	S183-S185 VanDerWaalsContact C-N 3.3Å; S183-S185 PolarHBondContact O-N 2.88Å; S183-L186 WeakPolarHBondContact O-CB 3.21Å; S183-L186 PolarHBondContact O-N 3Å; S183-C187 PolarHBondContact O-N 3.14Å
184	S	95.9	Very high	97.1	Very high	60 Å²	60	70.6 Å²	70.6	42%	0.42	38%	0.384	S	S	.	.	H	α-helix	trans	-60.3	-40.2	176.1	53.3	0	0	0	0	111.8	C187 I188	S184-C187 PolarHBondContact O-N 2.76Å; S184-I188 VanDerWaalsContact O-CG1 3.31Å; S184-I188 WeakPolarHBondContact O-CG1 3.38Å; S184-I188 PolarHBondContact O-N 3.42Å
185	S	97.4	Very high	97.1	Very high	43 Å²	43	62.6 Å²	62.6	30%	0.301	37%	0.367	S	S	.	.	H	α-helix	trans	-65.5	-40.2	175.2	-54.5	0	0	0	0	112	Q182 S183 H189	Q182-S185 PolarHBondContact O-N 3.43Å; S183-S185 VanDerWaalsContact C-N 3.3Å; S183-S185 PolarHBondContact O-N 2.88Å; S185-H189 VanDerWaalsContact O-CB 3.27Å; S185-H189 WeakPolarHBondContact O-CB 3.39Å; S185-H189 PolarHBondContact O-N 3.43Å
186	L	97.8	Very high	97.1	Very high	24 Å²	24	61.6 Å²	61.6	13%	0.126	36%	0.363	C	S	.	.	H	α-helix	trans	-62.2	-47.2	173	172.8	61.5	0	0	0	111.2	C173 F180 Q182 S183 I188 H189 Q190	C173-L186 HydrophobicContact CB-CD1 3.67Å; F180-L186 HydrophobicContact CB-CB 4.43Å; F180-L186 HydrophobicContact CD2-CB 3.89Å; F180-L186 HydrophobicContact CD2-CD1 3.85Å; F180-L186 HydrophobicContact CD2-CG 4.48Å; F180-L186 HydrophobicContact CE2-CD1 3.97Å; F180-L186 HydrophobicContact CG-CB 4.35Å; Q182-L186 PolarHBondContact O-N 2.99Å; S183-L186 WeakPolarHBondContact O-CB 3.21Å; S183-L186 PolarHBondContact O-N 3Å; L186-I188 VanDerWaalsContact C-N 3.34Å; L186-I188 PolarHBondContact O-N 2.81Å; L186-H189 CarbonylContact O-C 3.43Å; L186-H189 WeakPolarHBondContact O-CA 3.3Å; L186-H189 WeakPolarHBondContact O-CB 3.15Å; L186-H189 PolarHBondContact O-N 2.86Å; L186-Q190 HydrophobicContact CD1-CG 4.27Å; L186-Q190 WeakPolarHBondContact O-CG 3.2Å; L186-Q190 PolarHBondContact O-N 3.03Å
187	C	97.3	Very high	97.2	Very high	64 Å²	64	65.2 Å²	65.2	43%	0.432	37%	0.372	S	S	.	.	H	α-helix	trans	-59	-44.2	179.3	-178.6	0	0	0	0	112.1	S183 S184 H189 Q190	S183-C187 PolarHBondContact O-N 3.14Å; S184-C187 PolarHBondContact O-N 2.76Å; C187-H189 VanDerWaalsContact C-N 3.33Å; C187-Q190 PolarHBondContact O-N 3.14Å
188	I	97.4	Very high	97.1	Very high	62 Å²	62	67 Å²	67	32%	0.318	38%	0.376	S	S	.	.	H	α-helix	trans	-64.4	-41.1	174.6	-67.3	165	0	0	0	110.5	S184 L186 Q190 R191 Q210	S184-I188 VanDerWaalsContact O-CG1 3.31Å; S184-I188 WeakPolarHBondContact O-CG1 3.38Å; S184-I188 PolarHBondContact O-N 3.42Å; L186-I188 VanDerWaalsContact C-N 3.34Å; L186-I188 PolarHBondContact O-N 2.81Å; I188-Q190 VanDerWaalsContact C-N 3.33Å; I188-Q190 PolarHBondContact O-N 3.33Å; I188-R191 WeakPolarHBondContact O-CB 3.43Å; I188-R191 PolarHBondContact O-N 3.49Å; I188-Q210 HydrophobicContact CG2-CG 3.83Å
189	H	97.7	Very high	97.1	Very high	23 Å²	23	64.3 Å²	64.3	11%	0.106	36%	0.363	C	S	.	.	H	α-helix	trans	-62.6	-38	179.1	168.9	66.2	0	0	0	112.8	C176 F180 S185 L186 C187 R191 V192 H193	C176-H189 PolarHBondContact SG-NE2 3.07Å; F180-H189 HydrophobicContact CE1-CB 3.96Å; F180-H189 HydrophobicContact CE2-CB 3.81Å; F180-H189 AromaticContact CE2-CD2 3.42Å; F180-H189 VanDerWaalsContact CE2-CD2 3.42Å; F180-H189 WeakPolarHBondContact CE2-CD2 3.31Å; F180-H189 AromaticContact CE2-CG 3.59Å; F180-H189 HydrophobicContact CZ-CB 3.39Å; F180-H189 AromaticContact CZ-CD2 3.49Å; F180-H189 VanDerWaalsContact CZ-CD2 3.49Å; F180-H189 WeakPolarHBondContact CZ-CD2 3.38Å; F180-H189 AromaticContact CZ-CG 3.19Å; F180-H189 AromaticContact CZ-ND1 3.71Å; S185-H189 VanDerWaalsContact O-CB 3.27Å; S185-H189 WeakPolarHBondContact O-CB 3.39Å; S185-H189 PolarHBondContact O-N 3.43Å; L186-H189 CarbonylContact O-C 3.43Å; L186-H189 WeakPolarHBondContact O-CA 3.3Å; L186-H189 WeakPolarHBondContact O-CB 3.15Å; L186-H189 PolarHBondContact O-N 2.86Å; C187-H189 VanDerWaalsContact C-N 3.33Å; H189-R191 PolarHBondContact O-N 3.42Å; H189-R191 VanDerWaalsContact O-N 3.08Å; H189-V192 VanDerWaalsContact O-CB 3.22Å; H189-V192 WeakPolarHBondContact O-CB 3.4Å; H189-V192 WeakPolarHBondContact O-CG2 3.38Å; H189-V192 PolarHBondContact O-N 2.96Å; H189-H193 AromaticContact CE1-NE2 3.93Å; H189-H193 AromaticContact NE2-CE1 3.99Å; H189-H193 AromaticContact NE2-NE2 3.36Å; H189-H193 PolarHBondContact NE2-NE2 3.12Å
190	Q	97.6	Very high	97.1	Very high	78 Å²	78	71 Å²	71	36%	0.364	38%	0.381	S	S	.	.	H	α-helix	trans	-57.4	-25.8	178.2	-74.6	175.5	-56.6	0	0	112.8	L186 C187 I188 V192 H193 T194	L186-Q190 HydrophobicContact CD1-CG 4.27Å; L186-Q190 WeakPolarHBondContact O-CG 3.2Å; L186-Q190 PolarHBondContact O-N 3.03Å; C187-Q190 PolarHBondContact O-N 3.14Å; I188-Q190 VanDerWaalsContact C-N 3.33Å; I188-Q190 PolarHBondContact O-N 3.33Å; Q190-V192 PolarHBondContact O-N 2.95Å; Q190-H193 PolarHBondContact O-N 2.8Å; Q190-T194 PolarHBondContact O-N 3.31Å; Q190-T194 VanDerWaalsContact O-N 3.16Å
191	R	97.4	Very high	97.1	Very high	44 Å²	44	69 Å²	69	17%	0.166	37%	0.373	C	S	.	.	H	α-helix	trans	-64.4	-17.8	174	-58.5	-179.6	-178.6	154.4	4.1	114	I188 H189 H193 T194 G195 E196 S209	I188-R191 WeakPolarHBondContact O-CB 3.43Å; I188-R191 PolarHBondContact O-N 3.49Å; H189-R191 PolarHBondContact O-N 3.42Å; H189-R191 VanDerWaalsContact O-N 3.08Å; R191-H193 VanDerWaalsContact C-N 3.28Å; R191-T194 WeakPolarHBondContact CA-OG1 3.2Å; R191-G195 WeakPolarHBondContact O-CA 3.34Å; R191-G195 PolarHBondContact O-N 3.18Å; R191-E196 HydrophobicContact CB-CB 4.39Å; R191-E196 HydrophobicContact CG-CB 4.22Å; R191-E196 PolarHBondContact O-N 3.49Å; R191-S209 WeakPolarHBondContact CD-O 3.28Å; R191-S209 PolarHBondContact NH1-O 3.37Å
192	V	97.1	Very high	97	Very high	107 Å²	107	73.5 Å²	73.5	65%	0.648	40%	0.402	S	S	*	.	H	α-helix	trans	-66.4	-35.8	172.2	176.7	0	0	0	0	110.5	H189 Q190	H189-V192 VanDerWaalsContact O-CB 3.22Å; H189-V192 WeakPolarHBondContact O-CB 3.4Å; H189-V192 WeakPolarHBondContact O-CG2 3.38Å; H189-V192 PolarHBondContact O-N 2.96Å; Q190-V192 PolarHBondContact O-N 2.95Å
193	H	97.5	Very high	96.7	Very high	65 Å²	65	73.3 Å²	73.3	30%	0.301	42%	0.419	S	S	.	.	H	α-helix	trans	-84.8	-42	-179.2	-52.7	-49.3	0	0	0	112.2	C173 E175 H189 Q190 R191 G195	C173-H193 PolarHBondContact SG-NE2 2.7Å; E175-H193 IonicContact OE1-CD2 3.85Å; E175-H193 WeakPolarHBondContact OE2-CB 3.35Å; E175-H193 IonicContact OE2-CD2 3.95Å; E175-H193 PolarHBondContact OE2-CD2 3.31Å; E175-H193 VanDerWaalsContact OE2-CD2 3.3Å; E175-H193 IonicContact OE2-CG 3.3Å; E175-H193 IonicContact OE2-ND1 3.88Å; H189-H193 AromaticContact CE1-NE2 3.93Å; H189-H193 AromaticContact NE2-CE1 3.99Å; H189-H193 AromaticContact NE2-NE2 3.36Å; H189-H193 PolarHBondContact NE2-NE2 3.12Å; Q190-H193 PolarHBondContact O-N 2.8Å; R191-H193 VanDerWaalsContact C-N 3.28Å; H193-G195 VanDerWaalsContact C-N 3.27Å; H193-G195 PolarHBondContact O-N 2.79Å
194	T	95.8	Very high	96.7	Very high	82 Å²	82	73 Å²	73	50%	0.503	42%	0.416	S	S	.	.	H	α-helix	trans	-76.1	-17	178.7	65.6	0	0	0	0	113	Q190 R191 E196	Q190-T194 PolarHBondContact O-N 3.31Å; Q190-T194 VanDerWaalsContact O-N 3.16Å; R191-T194 WeakPolarHBondContact CA-OG1 3.2Å; T194-E196 PolarHBondContact O-N 3.26Å; T194-E196 WeakPolarHBondContact OG1-CB 3.38Å; T194-E196 WeakPolarHBondContact OG1-CG 3.33Å; T194-E196 PolarHBondContact OG1-N 3.46Å
195	G	95.5	Very high	96.7	Very high	49 Å²	49	71.3 Å²	71.3	51%	0.505	41%	0.408	S	S	.	.			trans	69.1	7.2	-173.1	0	0	0	0	0	114	R191 H193 K197	R191-G195 WeakPolarHBondContact O-CA 3.34Å; R191-G195 PolarHBondContact O-N 3.18Å; H193-G195 VanDerWaalsContact C-N 3.27Å; H193-G195 PolarHBondContact O-N 2.79Å; G195-K197 PolarHBondContact O-N 3.39Å
196	E	97.3	Very high	96.7	Very high	110 Å²	110	75.6 Å²	75.6	51%	0.514	42%	0.422	S	S	.	.			trans	-59.2	132	-176.5	-81.5	-175.7	177.1	0	0	112.6	R191 T194	R191-E196 HydrophobicContact CB-CB 4.39Å; R191-E196 HydrophobicContact CG-CB 4.22Å; R191-E196 PolarHBondContact O-N 3.49Å; T194-E196 PolarHBondContact O-N 3.26Å; T194-E196 WeakPolarHBondContact OG1-CB 3.38Å; T194-E196 WeakPolarHBondContact OG1-CG 3.33Å; T194-E196 PolarHBondContact OG1-N 3.46Å
197	K	97.2	Very high	96.7	Very high	132 Å²	132	76.2 Å²	76.2	57%	0.574	43%	0.43	S	S	*	.			trans	-130.2	74.9	177.2	-69.5	172.9	177.6	-177.5	0	110.9	G195 Y199 A207 F208	G195-K197 PolarHBondContact O-N 3.39Å; K197-Y199 PolarHBondContact O-N 3.25Å; K197-Y199 VanDerWaalsContact O-N 3.16Å; K197-A207 HydrophobicContact CB-CB 3.66Å; K197-A207 HydrophobicContact CD-CB 4.37Å; K197-F208 CarbonylContact C-O 3.23Å; K197-F208 VanDerWaalsContact C-O 3.23Å; K197-F208 VanDerWaalsContact CA-O 3.27Å; K197-F208 WeakPolarHBondContact CA-O 3.28Å
198	P	96.2	Very high	96.7	Very high	74 Å²	74	75.2 Å²	75.2	48%	0.481	42%	0.418	S	S	.	.			trans	-66.8	-18.3	-172	-21.1	34.2	0	0	0	114.3
199	Y	98	Very high	96.7	Very high	76 Å²	76	74.4 Å²	74.4	30%	0.298	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	99.9	-171.9	-55.1	-77.4	0	0	0	110.6	K197 A207 F208	K197-Y199 PolarHBondContact O-N 3.25Å; K197-Y199 VanDerWaalsContact O-N 3.16Å; Y199-A207 CarbonylContact O-C 3.53Å; Y199-A207 WeakPolarHBondContact O-CA 3.26Å; Y199-F208 WeakPolarHBondContact CD2-O 3.41Å; Y199-F208 PolarHBondContact N-O 3.39Å; Y199-F208 VanDerWaalsContact N-O 3.14Å; Y199-F208 PolarHBondContact O-N 3.09Å
200	R	97.9	Very high	96.7	Very high	175 Å²	175	76.9 Å²	76.9	66%	0.66	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98	133.8	-178.2	-159.8	174.4	-155.6	-123.5	4.1	112	G205 A207	R200-G205 PolarHBondContact NE-O 3.28Å; R200-G205 VanDerWaalsContact NE-O 3.14Å; R200-A207 HydrophobicContact CG-CB 4.44Å
201	C	97.5	Very high	96.7	Very high	3 Å²	3	76.4 Å²	76.4	2%	0.02	44%	0.435	C	S	.	.			trans	-77.1	122.7	169.7	-175.6	0	0	0	0	109.7	G203 G205 K206 F208 L214 H217 H221	C201-G203 VanDerWaalsContact C-N 3.32Å; C201-G203 PolarHBondContact O-N 3.25Å; C201-G205 WeakPolarHBondContact O-CA 3.48Å; C201-G205 PolarHBondContact O-N 2.81Å; C201-K206 WeakPolarHBondContact CB-O 3.29Å; C201-K206 PolarHBondContact N-O 3.43Å; C201-F208 HydrophobicContact CB-CE2 4.42Å; C201-L214 HydrophobicContact CB-CD1 3.62Å; C201-H217 PolarHBondContact SG-NE2 3Å; C201-H221 PolarHBondContact SG-NE2 3.33Å; C201-H221 VanDerWaalsContact SG-NE2 3.36Å
202	C	94.2	Very high	96.6	Very high	137 Å²	137	77.1 Å²	77.1	93%	0.926	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-31.9	178.9	-64	0	0	0	0	112.3
203	G	91.9	Very high	96.6	Very high	66 Å²	66	74.2 Å²	74.2	68%	0.68	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-27.8	-176.1	0	0	0	0	0	115.2	C201	C201-G203 VanDerWaalsContact C-N 3.32Å; C201-G203 PolarHBondContact O-N 3.25Å
204	C	96.2	Very high	96.6	Very high	59 Å²	59	72.2 Å²	72.2	40%	0.399	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.3	3.5	-179.2	68	0	0	0	0	115.2	K206 H217 H221	C204-K206 PolarHBondContact O-N 2.75Å; C204-H217 PolarHBondContact SG-NE2 3.43Å; C204-H221 PolarHBondContact SG-NE2 3.26Å
205	G	95.8	Very high	96.6	Very high	24 Å²	24	71.3 Å²	71.3	25%	0.247	42%	0.419	C	S	.	.			trans	71.6	-5.8	179.8	0	0	0	0	0	115.7	R200 C201 A207	R200-G205 PolarHBondContact NE-O 3.28Å; R200-G205 VanDerWaalsContact NE-O 3.14Å; C201-G205 WeakPolarHBondContact O-CA 3.48Å; C201-G205 PolarHBondContact O-N 2.81Å; G205-A207 PolarHBondContact O-N 3.34Å
206	K	97.6	Very high	96.7	Very high	134 Å²	134	71.9 Å²	71.9	58%	0.583	41%	0.409	S	S	*	.			trans	-60.6	134.4	176.4	-73.4	-174.8	179.6	-179.7	0	110.6	C201 C204 F208	C201-K206 WeakPolarHBondContact CB-O 3.29Å; C201-K206 PolarHBondContact N-O 3.43Å; C204-K206 PolarHBondContact O-N 2.75Å; K206-F208 HydrophobicContact CB-CE2 4.05Å; K206-F208 HydrophobicContact CB-CZ 4.13Å
207	A	97.6	Very high	96.6	Very high	36 Å²	36	67.8 Å²	67.8	30%	0.298	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	147.2	-179.1	0	0	0	0	0	111.8	K197 Y199 R200 G205	K197-A207 HydrophobicContact CB-CB 3.66Å; K197-A207 HydrophobicContact CD-CB 4.37Å; Y199-A207 CarbonylContact O-C 3.53Å; Y199-A207 WeakPolarHBondContact O-CA 3.26Å; R200-A207 HydrophobicContact CG-CB 4.44Å; G205-A207 PolarHBondContact O-N 3.34Å
208	F	97.8	Very high	96.6	Very high	44 Å²	44	66 Å²	66	19%	0.193	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	149.4	-176	-57.2	-89.5	0	0	0	110.7	K197 Y199 C201 K206 Q210 L214 H217	K197-F208 CarbonylContact C-O 3.23Å; K197-F208 VanDerWaalsContact C-O 3.23Å; K197-F208 VanDerWaalsContact CA-O 3.27Å; K197-F208 WeakPolarHBondContact CA-O 3.28Å; Y199-F208 WeakPolarHBondContact CD2-O 3.41Å; Y199-F208 PolarHBondContact N-O 3.39Å; Y199-F208 VanDerWaalsContact N-O 3.14Å; Y199-F208 PolarHBondContact O-N 3.09Å; C201-F208 HydrophobicContact CB-CE2 4.42Å; K206-F208 HydrophobicContact CB-CE2 4.05Å; K206-F208 HydrophobicContact CB-CZ 4.13Å; F208-Q210 VanDerWaalsContact C-N 3.31Å; F208-L214 HydrophobicContact CB-CB 4.42Å; F208-L214 HydrophobicContact CD2-CB 3.87Å; F208-L214 HydrophobicContact CD2-CD1 3.84Å; F208-L214 HydrophobicContact CD2-CG 4.45Å; F208-L214 HydrophobicContact CE2-CD1 3.94Å; F208-L214 HydrophobicContact CG-CB 4.32Å; F208-H217 HydrophobicContact CE1-CB 3.96Å; F208-H217 HydrophobicContact CE2-CB 3.86Å; F208-H217 AromaticContact CE2-CD2 3.35Å; F208-H217 WeakPolarHBondContact CE2-CD2 3.14Å; F208-H217 AromaticContact CE2-CG 3.6Å; F208-H217 HydrophobicContact CZ-CB 3.41Å; F208-H217 VanDerWaalsContact CZ-CB 3.41Å; F208-H217 AromaticContact CZ-CD2 3.44Å; F208-H217 VanDerWaalsContact CZ-CD2 3.44Å; F208-H217 WeakPolarHBondContact CZ-CD2 3.36Å; F208-H217 AromaticContact CZ-CG 3.19Å; F208-H217 AromaticContact CZ-ND1 3.72Å
209	S	96.8	Very high	96.6	Very high	44 Å²	44	64.9 Å²	64.9	31%	0.308	37%	0.37	S	S	.	.	S	Bend	trans	-79.5	-14.4	176.9	57.7	0	0	0	0	113.2	R191	R191-S209 WeakPolarHBondContact CD-O 3.28Å; R191-S209 PolarHBondContact NH1-O 3.37Å
210	Q	97.6	Very high	96.5	Very high	76 Å²	76	66.6 Å²	66.6	36%	0.355	39%	0.388	S	S	.	.	S	Bend	trans	-134.9	145	179.5	-60.4	-176.4	38	0	0	111.4	I188 F208 S212 S213 L214	I188-Q210 HydrophobicContact CG2-CG 3.83Å; F208-Q210 VanDerWaalsContact C-N 3.31Å; Q210-S212 VanDerWaalsContact C-N 3.34Å; Q210-S212 PolarHBondContact O-N 2.83Å; Q210-S213 PolarHBondContact O-N 2.84Å; Q210-L214 PolarHBondContact O-N 3.48Å
211	S	97.2	Very high	96.4	Very high	68 Å²	68	62.8 Å²	62.8	48%	0.476	38%	0.378	S	S	.	.	H	α-helix	trans	-66.8	-34.7	179.3	57.4	0	0	0	0	112.8	S213 L214 C215	S211-S213 VanDerWaalsContact C-N 3.32Å; S211-S213 PolarHBondContact O-N 3.29Å; S211-L214 PolarHBondContact O-N 2.85Å; S211-C215 PolarHBondContact O-N 3.41Å
212	S	95.6	Very high	96.3	Very high	59 Å²	59	66.7 Å²	66.7	41%	0.413	40%	0.402	S	S	.	.	H	α-helix	trans	-60.6	-41.5	175.9	52.8	0	0	0	0	111.7	Q210 C215 I216	Q210-S212 VanDerWaalsContact C-N 3.34Å; Q210-S212 PolarHBondContact O-N 2.83Å; S212-C215 PolarHBondContact O-N 3.09Å; S212-I216 VanDerWaalsContact O-CG1 3.32Å; S212-I216 WeakPolarHBondContact O-CG1 3.4Å; S212-I216 PolarHBondContact O-N 3.19Å
213	S	97.2	Very high	96.2	Very high	45 Å²	45	62.5 Å²	62.5	32%	0.315	38%	0.381	S	S	.	.	H	α-helix	trans	-64.2	-40.5	175.1	-54.8	0	0	0	0	112	Q210 S211 H217	Q210-S213 PolarHBondContact O-N 2.84Å; S211-S213 VanDerWaalsContact C-N 3.32Å; S211-S213 PolarHBondContact O-N 3.29Å; S213-H217 VanDerWaalsContact O-CB 3.25Å; S213-H217 WeakPolarHBondContact O-CB 3.43Å; S213-H217 PolarHBondContact O-N 2.98Å
214	L	97.3	Very high	96.5	Very high	24 Å²	24	64.6 Å²	64.6	13%	0.126	37%	0.374	C	S	.	.	H	α-helix	trans	-62.8	-47.3	173.6	172.7	61.3	0	0	0	111.5	C201 F208 Q210 S211 I216 H217 Q218	C201-L214 HydrophobicContact CB-CD1 3.62Å; F208-L214 HydrophobicContact CB-CB 4.42Å; F208-L214 HydrophobicContact CD2-CB 3.87Å; F208-L214 HydrophobicContact CD2-CD1 3.84Å; F208-L214 HydrophobicContact CD2-CG 4.45Å; F208-L214 HydrophobicContact CE2-CD1 3.94Å; F208-L214 HydrophobicContact CG-CB 4.32Å; Q210-L214 PolarHBondContact O-N 3.48Å; S211-L214 PolarHBondContact O-N 2.85Å; L214-I216 PolarHBondContact O-N 3.44Å; L214-H217 CarbonylContact O-C 3.52Å; L214-H217 WeakPolarHBondContact O-CB 3.26Å; L214-H217 PolarHBondContact O-N 2.86Å; L214-H217 VanDerWaalsContact O-N 3.1Å; L214-Q218 HydrophobicContact CD1-CG 4.26Å; L214-Q218 WeakPolarHBondContact O-CG 3.47Å; L214-Q218 PolarHBondContact O-N 3.26Å
215	C	96.5	Very high	96.5	Very high	63 Å²	63	68 Å²	68	43%	0.426	38%	0.382	S	S	.	.	H	α-helix	trans	-58.9	-45	178.9	176.2	0	0	0	0	112	S211 S212 H217 Q218	S211-C215 PolarHBondContact O-N 3.41Å; S212-C215 PolarHBondContact O-N 3.09Å; C215-H217 VanDerWaalsContact C-N 3.33Å; C215-H217 PolarHBondContact O-N 3.12Å; C215-Q218 PolarHBondContact O-N 2.97Å
216	I	96.5	Very high	96.4	Very high	60 Å²	60	70.3 Å²	70.3	31%	0.308	39%	0.393	S	S	.	.	H	α-helix	trans	-63	-42.8	174.5	-67.3	165.3	0	0	0	110.6	S212 L214 Q218 R219 Q238	S212-I216 VanDerWaalsContact O-CG1 3.32Å; S212-I216 WeakPolarHBondContact O-CG1 3.4Å; S212-I216 PolarHBondContact O-N 3.19Å; L214-I216 PolarHBondContact O-N 3.44Å; I216-Q218 VanDerWaalsContact C-N 3.31Å; I216-Q218 PolarHBondContact O-N 2.79Å; I216-R219 WeakPolarHBondContact O-CB 3.44Å; I216-R219 PolarHBondContact O-N 3.29Å; I216-Q238 HydrophobicContact CG2-CG 3.77Å
217	H	96.9	Very high	96.4	Very high	24 Å²	24	67 Å²	67	11%	0.111	38%	0.378	C	S	.	.	H	α-helix	trans	-62	-36.6	178.7	166.2	67.3	0	0	0	112.8	C201 C204 F208 S213 L214 C215 R219 V220 H221	C201-H217 PolarHBondContact SG-NE2 3Å; C204-H217 PolarHBondContact SG-NE2 3.43Å; F208-H217 HydrophobicContact CE1-CB 3.96Å; F208-H217 HydrophobicContact CE2-CB 3.86Å; F208-H217 AromaticContact CE2-CD2 3.35Å; F208-H217 WeakPolarHBondContact CE2-CD2 3.14Å; F208-H217 AromaticContact CE2-CG 3.6Å; F208-H217 HydrophobicContact CZ-CB 3.41Å; F208-H217 VanDerWaalsContact CZ-CB 3.41Å; F208-H217 AromaticContact CZ-CD2 3.44Å; F208-H217 VanDerWaalsContact CZ-CD2 3.44Å; F208-H217 WeakPolarHBondContact CZ-CD2 3.36Å; F208-H217 AromaticContact CZ-CG 3.19Å; F208-H217 AromaticContact CZ-ND1 3.72Å; S213-H217 VanDerWaalsContact O-CB 3.25Å; S213-H217 WeakPolarHBondContact O-CB 3.43Å; S213-H217 PolarHBondContact O-N 2.98Å; L214-H217 CarbonylContact O-C 3.52Å; L214-H217 WeakPolarHBondContact O-CB 3.26Å; L214-H217 PolarHBondContact O-N 2.86Å; L214-H217 VanDerWaalsContact O-N 3.1Å; C215-H217 VanDerWaalsContact C-N 3.33Å; C215-H217 PolarHBondContact O-N 3.12Å; H217-R219 PolarHBondContact O-N 3.12Å; H217-R219 VanDerWaalsContact O-N 3.09Å; H217-V220 VanDerWaalsContact O-CB 3.25Å; H217-V220 WeakPolarHBondContact O-CB 3.35Å; H217-V220 WeakPolarHBondContact O-CG2 3.47Å; H217-V220 PolarHBondContact O-N 2.96Å; H217-H221 AromaticContact CE1-NE2 3.76Å; H217-H221 AromaticContact NE2-NE2 3.36Å; H217-H221 PolarHBondContact NE2-NE2 2.79Å
218	Q	96.3	Very high	96.4	Very high	94 Å²	94	71.6 Å²	71.6	44%	0.439	39%	0.392	S	S	.	.	H	α-helix	trans	-57.8	-26	177.9	-75.3	174.6	-50	0	0	112.8	L214 C215 I216 V220 H221 T222	L214-Q218 HydrophobicContact CD1-CG 4.26Å; L214-Q218 WeakPolarHBondContact O-CG 3.47Å; L214-Q218 PolarHBondContact O-N 3.26Å; C215-Q218 PolarHBondContact O-N 2.97Å; I216-Q218 VanDerWaalsContact C-N 3.31Å; I216-Q218 PolarHBondContact O-N 2.79Å; Q218-V220 PolarHBondContact O-N 3.08Å; Q218-H221 WeakPolarHBondContact O-CB 3.46Å; Q218-H221 PolarHBondContact O-N 3.47Å; Q218-T222 PolarHBondContact O-N 3.35Å; Q218-T222 VanDerWaalsContact O-N 3.17Å
219	R	96.3	Very high	96.3	Very high	52 Å²	52	69.5 Å²	69.5	20%	0.196	38%	0.382	C	S	.	.	H	α-helix	trans	-64	-20.2	174.2	-59.5	-178.1	-179.7	149.7	5.6	113.9	I216 H217 H221 T222 G223 E224 S237	I216-R219 WeakPolarHBondContact O-CB 3.44Å; I216-R219 PolarHBondContact O-N 3.29Å; H217-R219 PolarHBondContact O-N 3.12Å; H217-R219 VanDerWaalsContact O-N 3.09Å; R219-H221 VanDerWaalsContact C-N 3.25Å; R219-T222 WeakPolarHBondContact CA-OG1 3.12Å; R219-G223 WeakPolarHBondContact O-CA 3.05Å; R219-G223 PolarHBondContact O-N 3.16Å; R219-E224 HydrophobicContact CB-CB 4.43Å; R219-E224 HydrophobicContact CG-CB 4.24Å; R219-S237 WeakPolarHBondContact CD-O 3.38Å; R219-S237 PolarHBondContact NH1-O 3Å
220	V	95.7	Very high	96.1	Very high	112 Å²	112	74.6 Å²	74.6	68%	0.679	41%	0.406	S	S	*	.	H	α-helix	trans	-66.9	-32.8	172	178.6	0	0	0	0	110.6	H217 Q218	H217-V220 VanDerWaalsContact O-CB 3.25Å; H217-V220 WeakPolarHBondContact O-CB 3.35Å; H217-V220 WeakPolarHBondContact O-CG2 3.47Å; H217-V220 PolarHBondContact O-N 2.96Å; Q218-V220 PolarHBondContact O-N 3.08Å
221	H	96	Very high	95.9	Very high	94 Å²	94	76.1 Å²	76.1	44%	0.435	41%	0.413	S	S	.	.	H	α-helix	trans	-82.2	-39.2	178.4	-61.6	-57.4	0	0	0	112.3	C201 C204 H217 Q218 R219	C201-H221 PolarHBondContact SG-NE2 3.33Å; C201-H221 VanDerWaalsContact SG-NE2 3.36Å; C204-H221 PolarHBondContact SG-NE2 3.26Å; H217-H221 AromaticContact CE1-NE2 3.76Å; H217-H221 AromaticContact NE2-NE2 3.36Å; H217-H221 PolarHBondContact NE2-NE2 2.79Å; Q218-H221 WeakPolarHBondContact O-CB 3.46Å; Q218-H221 PolarHBondContact O-N 3.47Å; R219-H221 VanDerWaalsContact C-N 3.25Å
222	T	94.4	Very high	95.8	Very high	85 Å²	85	75.6 Å²	75.6	52%	0.521	41%	0.409	S	S	.	.	H	α-helix	trans	-83.6	-17.6	-179.4	63.4	0	0	0	0	113.2	Q218 R219 E224	Q218-T222 PolarHBondContact O-N 3.35Å; Q218-T222 VanDerWaalsContact O-N 3.17Å; R219-T222 WeakPolarHBondContact CA-OG1 3.12Å; T222-E224 PolarHBondContact O-N 3.44Å; T222-E224 WeakPolarHBondContact OG1-CB 3.41Å; T222-E224 WeakPolarHBondContact OG1-CG 3.45Å; T222-E224 PolarHBondContact OG1-N 3.34Å
223	G	93.9	Very high	95.7	Very high	49 Å²	49	74.5 Å²	74.5	51%	0.505	41%	0.407	S	S	.	.			trans	70.9	6.4	-172.2	0	0	0	0	0	113.9	R219 K225	R219-G223 WeakPolarHBondContact O-CA 3.05Å; R219-G223 PolarHBondContact O-N 3.16Å; G223-K225 PolarHBondContact O-N 2.74Å
224	E	96.4	Very high	95.7	Very high	110 Å²	110	78.6 Å²	78.6	51%	0.514	42%	0.419	S	S	.	.			trans	-59.2	131.8	-177.2	-80.8	-179.3	-174.1	0	0	112.4	R219 T222	R219-E224 HydrophobicContact CB-CB 4.43Å; R219-E224 HydrophobicContact CG-CB 4.24Å; T222-E224 PolarHBondContact O-N 3.44Å; T222-E224 WeakPolarHBondContact OG1-CB 3.41Å; T222-E224 WeakPolarHBondContact OG1-CG 3.45Å; T222-E224 PolarHBondContact OG1-N 3.34Å
225	K	96.2	Very high	95.7	Very high	130 Å²	130	79.2 Å²	79.2	57%	0.565	43%	0.428	S	S	*	.			trans	-130	75.5	177.2	-68.4	172.9	178.3	-174.4	0	110.7	G223 F227 A235 F236	G223-K225 PolarHBondContact O-N 2.74Å; K225-F227 PolarHBondContact O-N 2.93Å; K225-A235 HydrophobicContact CB-CB 3.7Å; K225-A235 HydrophobicContact CD-CB 4.39Å; K225-A235 WeakPolarHBondContact CD-O 3.45Å; K225-F236 CarbonylContact C-O 3.57Å; K225-F236 VanDerWaalsContact C-O 3.26Å; K225-F236 VanDerWaalsContact CA-O 3.29Å; K225-F236 WeakPolarHBondContact CA-O 3.37Å
226	P	95.2	Very high	95.6	Very high	74 Å²	74	78.3 Å²	78.3	48%	0.481	42%	0.417	S	S	.	.			trans	-68.4	-17.1	-171.9	-20.4	33.9	0	0	0	114.5
227	F	96.9	Very high	95.6	Very high	63 Å²	63	77.6 Å²	77.6	28%	0.276	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	97.2	-172.4	-56	-77.4	0	0	0	110.2	K225 A235 F236 L242	K225-F227 PolarHBondContact O-N 2.93Å; F227-A235 CarbonylContact O-C 3.28Å; F227-A235 WeakPolarHBondContact O-CA 3.42Å; F227-F236 HydrophobicContact CB-CB 4.45Å; F227-F236 PolarHBondContact N-O 2.95Å; F227-F236 VanDerWaalsContact N-O 3.17Å; F227-F236 PolarHBondContact O-N 3.46Å; F227-L242 HydrophobicContact CB-CB 4.13Å; F227-L242 HydrophobicContact CB-CD2 3.9Å
228	K	97	Very high	95.5	Very high	134 Å²	134	80 Å²	80	58%	0.583	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.1	138.7	178	-165.5	176.7	177.9	-176.9	0	110.6
229	C	95.9	Very high	95.5	Very high	0 Å²	0	78.6 Å²	78.6	0%	0	43%	0.429	C	S	.	.			trans	-80.7	121.9	166.7	178.4	0	0	0	0	109	E231 G233 K234 F236 L242 H249	C229-E231 VanDerWaalsContact C-N 3.28Å; C229-E231 PolarHBondContact O-N 3.28Å; C229-G233 WeakPolarHBondContact O-CA 3.26Å; C229-G233 PolarHBondContact O-N 3.13Å; C229-K234 WeakPolarHBondContact CB-O 3.3Å; C229-K234 PolarHBondContact N-O 2.88Å; C229-F236 HydrophobicContact CB-CE2 4.42Å; C229-L242 HydrophobicContact CB-CD1 3.59Å; C229-H249 PolarHBondContact SG-NE2 3.29Å
230	D	93.9	Very high	95.4	Very high	150 Å²	150	79.9 Å²	79.9	80%	0.802	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-29.2	179.7	-60.3	-36.2	0	0	0	112.4
231	E	93	Very high	95.4	Very high	109 Å²	109	76.6 Å²	76.6	51%	0.509	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-37.7	-176.8	-61.3	-172.5	-142.6	0	0	113.2	C229 H249	C229-E231 VanDerWaalsContact C-N 3.28Å; C229-E231 PolarHBondContact O-N 3.28Å; E231-H249 WeakPolarHBondContact OE2-CB 3.33Å; E231-H249 IonicContact OE2-CD2 3.11Å; E231-H249 IonicContact OE2-CG 3.81Å
232	C	95.1	Very high	95.4	Very high	56 Å²	56	73.2 Å²	73.2	38%	0.378	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.8	2.3	-176.9	74.7	0	0	0	0	115.1	K234 H245	C232-K234 PolarHBondContact O-N 3.42Å; C232-H245 PolarHBondContact SG-NE2 3.09Å
233	G	94.3	Very high	95.4	Very high	36 Å²	36	72.2 Å²	72.2	37%	0.371	41%	0.405	S	S	.	.			trans	71.9	-7.8	180	0	0	0	0	0	115.9	C229 A235	C229-G233 WeakPolarHBondContact O-CA 3.26Å; C229-G233 PolarHBondContact O-N 3.13Å; G233-A235 PolarHBondContact O-N 3.24Å
234	K	96.2	Very high	95.4	Very high	131 Å²	131	75.1 Å²	75.1	57%	0.57	41%	0.408	S	S	*	.			trans	-60.2	132	177	-73.1	-179.5	179.9	173.3	0	110.6	C229 C232 F236	C229-K234 WeakPolarHBondContact CB-O 3.3Å; C229-K234 PolarHBondContact N-O 2.88Å; C232-K234 PolarHBondContact O-N 3.42Å; K234-F236 HydrophobicContact CB-CE2 4Å; K234-F236 HydrophobicContact CB-CZ 4.06Å; K234-F236 WeakPolarHBondContact O-CE2 3.47Å
235	A	96.5	Very high	95.3	Very high	38 Å²	38	71 Å²	71	31%	0.314	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	145.6	-180	0	0	0	0	0	112	K225 F227 G233	K225-A235 HydrophobicContact CB-CB 3.7Å; K225-A235 HydrophobicContact CD-CB 4.39Å; K225-A235 WeakPolarHBondContact CD-O 3.45Å; F227-A235 CarbonylContact O-C 3.28Å; F227-A235 WeakPolarHBondContact O-CA 3.42Å; G233-A235 PolarHBondContact O-N 3.24Å
236	F	95.9	Very high	95.1	Very high	44 Å²	44	68.4 Å²	68.4	19%	0.193	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	149.7	-176	-57.5	-89.1	0	0	0	110.9	K225 F227 C229 K234 Q238 L242 H245	K225-F236 CarbonylContact C-O 3.57Å; K225-F236 VanDerWaalsContact C-O 3.26Å; K225-F236 VanDerWaalsContact CA-O 3.29Å; K225-F236 WeakPolarHBondContact CA-O 3.37Å; F227-F236 HydrophobicContact CB-CB 4.45Å; F227-F236 PolarHBondContact N-O 2.95Å; F227-F236 VanDerWaalsContact N-O 3.17Å; F227-F236 PolarHBondContact O-N 3.46Å; C229-F236 HydrophobicContact CB-CE2 4.42Å; K234-F236 HydrophobicContact CB-CE2 4Å; K234-F236 HydrophobicContact CB-CZ 4.06Å; K234-F236 WeakPolarHBondContact O-CE2 3.47Å; F236-Q238 VanDerWaalsContact C-N 3.31Å; F236-L242 HydrophobicContact CB-CB 4.43Å; F236-L242 HydrophobicContact CD2-CB 3.87Å; F236-L242 HydrophobicContact CD2-CD1 3.86Å; F236-L242 HydrophobicContact CD2-CG 4.47Å; F236-L242 HydrophobicContact CE2-CD1 3.95Å; F236-L242 HydrophobicContact CG-CB 4.34Å; F236-H245 HydrophobicContact CE1-CB 3.98Å; F236-H245 HydrophobicContact CE2-CB 3.85Å; F236-H245 AromaticContact CE2-CD2 3.44Å; F236-H245 VanDerWaalsContact CE2-CD2 3.44Å; F236-H245 WeakPolarHBondContact CE2-CD2 3.28Å; F236-H245 AromaticContact CE2-CG 3.64Å; F236-H245 HydrophobicContact CZ-CB 3.41Å; F236-H245 VanDerWaalsContact CZ-CB 3.41Å; F236-H245 AromaticContact CZ-CD2 3.5Å; F236-H245 AromaticContact CZ-CG 3.22Å; F236-H245 AromaticContact CZ-ND1 3.77Å
237	S	95.3	Very high	95	Very high	44 Å²	44	72.4 Å²	72.4	31%	0.308	38%	0.384	S	S	.	.	S	Bend	trans	-78.2	-15.6	177.3	58.6	0	0	0	0	113.3	R219	R219-S237 WeakPolarHBondContact CD-O 3.38Å; R219-S237 PolarHBondContact NH1-O 3Å
238	Q	96.1	Very high	94.8	Very high	75 Å²	75	72.7 Å²	72.7	35%	0.35	39%	0.391	S	S	.	.	S	Bend	trans	-136.4	144.5	-179.7	-60.9	-175.9	45.9	0	0	111.1	I216 F236 T240 S241 L242	I216-Q238 HydrophobicContact CG2-CG 3.77Å; F236-Q238 VanDerWaalsContact C-N 3.31Å; Q238-T240 VanDerWaalsContact C-N 3.3Å; Q238-T240 PolarHBondContact O-N 3.34Å; Q238-S241 WeakPolarHBondContact O-CB 3.45Å; Q238-S241 PolarHBondContact O-N 3.43Å; Q238-L242 PolarHBondContact O-N 3.41Å
239	S	95.3	Very high	94.4	Very high	65 Å²	65	67.1 Å²	67.1	46%	0.455	37%	0.367	S	S	.	.	H	α-helix	trans	-66.2	-32.5	179.1	60	0	0	0	0	112.7	S241 L242 C243	S239-S241 VanDerWaalsContact C-N 3.33Å; S239-S241 PolarHBondContact O-N 3.47Å; S239-L242 WeakPolarHBondContact O-CB 3.44Å; S239-L242 PolarHBondContact O-N 3.13Å; S239-C243 WeakPolarHBondContact O-CB 3.33Å; S239-C243 PolarHBondContact O-N 3.13Å
240	T	94.9	Very high	93.5	Very high	78 Å²	78	70.9 Å²	70.9	48%	0.479	39%	0.39	S	S	.	.	H	α-helix	trans	-62.3	-41.6	175.8	48.8	0	0	0	0	111.3	Q238 C243 I244	Q238-T240 VanDerWaalsContact C-N 3.3Å; Q238-T240 PolarHBondContact O-N 3.34Å; T240-C243 PolarHBondContact O-N 3.33Å; T240-I244 VanDerWaalsContact O-CG1 3.29Å; T240-I244 WeakPolarHBondContact O-CG1 3.15Å; T240-I244 PolarHBondContact O-N 3.38Å
241	S	96.1	Very high	92.3	Very high	44 Å²	44	71 Å²	71	31%	0.308	38%	0.383	S	S	.	.	H	α-helix	trans	-63.2	-40.8	174.3	-54.1	0	0	0	0	112	Q238 S239 H245	Q238-S241 WeakPolarHBondContact O-CB 3.45Å; Q238-S241 PolarHBondContact O-N 3.43Å; S239-S241 VanDerWaalsContact C-N 3.33Å; S239-S241 PolarHBondContact O-N 3.47Å; S241-H245 VanDerWaalsContact O-CB 3.3Å; S241-H245 WeakPolarHBondContact O-CB 3.38Å; S241-H245 PolarHBondContact O-N 3.33Å
242	L	94.7	Very high	90.7	Very high	22 Å²	22	71.1 Å²	71.1	12%	0.115	38%	0.384	C	S	.	.	H	α-helix	trans	-62.8	-47.1	173.3	172.9	61.7	0	0	0	111.8	F227 C229 F236 Q238 S239 I244 H245 Q246	F227-L242 HydrophobicContact CB-CB 4.13Å; F227-L242 HydrophobicContact CB-CD2 3.9Å; C229-L242 HydrophobicContact CB-CD1 3.59Å; F236-L242 HydrophobicContact CB-CB 4.43Å; F236-L242 HydrophobicContact CD2-CB 3.87Å; F236-L242 HydrophobicContact CD2-CD1 3.86Å; F236-L242 HydrophobicContact CD2-CG 4.47Å; F236-L242 HydrophobicContact CE2-CD1 3.95Å; F236-L242 HydrophobicContact CG-CB 4.34Å; Q238-L242 PolarHBondContact O-N 3.41Å; S239-L242 WeakPolarHBondContact O-CB 3.44Å; S239-L242 PolarHBondContact O-N 3.13Å; L242-I244 VanDerWaalsContact C-N 3.33Å; L242-I244 PolarHBondContact O-N 3Å; L242-H245 CarbonylContact O-C 3.6Å; L242-H245 WeakPolarHBondContact O-CA 3.36Å; L242-H245 WeakPolarHBondContact O-CB 3.46Å; L242-H245 PolarHBondContact O-N 3.35Å; L242-H245 VanDerWaalsContact O-N 3.1Å; L242-Q246 HydrophobicContact CD1-CG 4.08Å; L242-Q246 HydrophobicContact CG-CG 4.43Å; L242-Q246 WeakPolarHBondContact O-CG 3.32Å; L242-Q246 PolarHBondContact O-N 3.49Å
243	C	94.4	Very high	88.9	Confident	64 Å²	64	76.2 Å²	76.2	43%	0.432	40%	0.395	S	S	.	.	H	α-helix	trans	-59.8	-42.1	179	176	0	0	0	0	112	S239 T240 Q246	S239-C243 WeakPolarHBondContact O-CB 3.33Å; S239-C243 PolarHBondContact O-N 3.13Å; T240-C243 PolarHBondContact O-N 3.33Å; C243-Q246 PolarHBondContact O-N 3.48Å
244	I	93.9	Very high	86.9	Confident	110 Å²	110	79.5 Å²	79.5	56%	0.564	40%	0.404	S	S	*	.	H	α-helix	trans	-64	-44.2	174.1	-66.8	164.7	0	0	0	110.2	T240 L242 Q246 R247	T240-I244 VanDerWaalsContact O-CG1 3.29Å; T240-I244 WeakPolarHBondContact O-CG1 3.15Å; T240-I244 PolarHBondContact O-N 3.38Å; L242-I244 VanDerWaalsContact C-N 3.33Å; L242-I244 PolarHBondContact O-N 3Å; I244-Q246 VanDerWaalsContact C-N 3.35Å; I244-Q246 PolarHBondContact O-N 3.42Å; I244-R247 WeakPolarHBondContact O-CB 3.32Å; I244-R247 PolarHBondContact O-N 3.23Å
245	H	94.4	Very high	84.7	Confident	25 Å²	25	80.3 Å²	80.3	12%	0.116	41%	0.41	C	S	.	.	H	α-helix	trans	-61.6	-39.9	178.4	168.4	66.7	0	0	0	112.9	C232 F236 S241 L242 R247 V248 H249	C232-H245 PolarHBondContact SG-NE2 3.09Å; F236-H245 HydrophobicContact CE1-CB 3.98Å; F236-H245 HydrophobicContact CE2-CB 3.85Å; F236-H245 AromaticContact CE2-CD2 3.44Å; F236-H245 VanDerWaalsContact CE2-CD2 3.44Å; F236-H245 WeakPolarHBondContact CE2-CD2 3.28Å; F236-H245 AromaticContact CE2-CG 3.64Å; F236-H245 HydrophobicContact CZ-CB 3.41Å; F236-H245 VanDerWaalsContact CZ-CB 3.41Å; F236-H245 AromaticContact CZ-CD2 3.5Å; F236-H245 AromaticContact CZ-CG 3.22Å; F236-H245 AromaticContact CZ-ND1 3.77Å; S241-H245 VanDerWaalsContact O-CB 3.3Å; S241-H245 WeakPolarHBondContact O-CB 3.38Å; S241-H245 PolarHBondContact O-N 3.33Å; L242-H245 CarbonylContact O-C 3.6Å; L242-H245 WeakPolarHBondContact O-CA 3.36Å; L242-H245 WeakPolarHBondContact O-CB 3.46Å; L242-H245 PolarHBondContact O-N 3.35Å; L242-H245 VanDerWaalsContact O-N 3.1Å; H245-R247 PolarHBondContact O-N 2.85Å; H245-R247 VanDerWaalsContact O-N 3.08Å; H245-V248 VanDerWaalsContact O-CB 3.28Å; H245-V248 WeakPolarHBondContact O-CB 3.25Å; H245-V248 WeakPolarHBondContact O-CG2 3.43Å; H245-V248 PolarHBondContact O-N 2.99Å; H245-H249 AromaticContact CD2-NE2 3.89Å; H245-H249 AromaticContact CE1-CE1 3.99Å; H245-H249 AromaticContact CE1-NE2 3.61Å; H245-H249 AromaticContact NE2-CE1 3.83Å; H245-H249 AromaticContact NE2-NE2 3.07Å; H245-H249 PolarHBondContact NE2-NE2 3.21Å
246	Q	92.3	Very high	82.5	Confident	75 Å²	75	85.1 Å²	85.1	35%	0.35	43%	0.429	S	S	.	.	H	α-helix	trans	-59.1	-23.5	178.3	-76.5	173.1	-42.2	0	0	113	L242 C243 I244 V248 H249 T250	L242-Q246 HydrophobicContact CD1-CG 4.08Å; L242-Q246 HydrophobicContact CG-CG 4.43Å; L242-Q246 WeakPolarHBondContact O-CG 3.32Å; L242-Q246 PolarHBondContact O-N 3.49Å; C243-Q246 PolarHBondContact O-N 3.48Å; I244-Q246 VanDerWaalsContact C-N 3.35Å; I244-Q246 PolarHBondContact O-N 3.42Å; Q246-V248 PolarHBondContact O-N 3.24Å; Q246-H249 PolarHBondContact O-N 3.49Å; Q246-T250 PolarHBondContact O-N 2.97Å
247	R	92.9	Very high	80.4	Confident	158 Å²	158	91 Å²	91	60%	0.596	46%	0.455	S	S	*	.	H	α-helix	trans	-65.3	-24.3	174.3	-59.3	179.5	-177.2	-175.8	-1.9	112.9	I244 H245 T250 K251	I244-R247 WeakPolarHBondContact O-CB 3.32Å; I244-R247 PolarHBondContact O-N 3.23Å; H245-R247 PolarHBondContact O-N 2.85Å; H245-R247 VanDerWaalsContact O-N 3.08Å; R247-T250 WeakPolarHBondContact CA-OG1 3.42Å; R247-T250 PolarHBondContact O-N 3.33Å; R247-T250 PolarHBondContact O-OG1 2.85Å; R247-K251 PolarHBondContact O-N 3.47Å
248	V	92.1	Very high	78.2	Confident	69 Å²	69	95.5 Å²	95.5	42%	0.418	47%	0.474	S	S	.	.	H	α-helix	trans	-63.5	-45.2	175.2	-178.1	0	0	0	0	110	H245 Q246 T250 K251 E252	H245-V248 VanDerWaalsContact O-CB 3.28Å; H245-V248 WeakPolarHBondContact O-CB 3.25Å; H245-V248 WeakPolarHBondContact O-CG2 3.43Å; H245-V248 PolarHBondContact O-N 2.99Å; Q246-V248 PolarHBondContact O-N 3.24Å; V248-T250 VanDerWaalsContact C-N 3.32Å; V248-T250 PolarHBondContact O-N 3.44Å; V248-K251 WeakPolarHBondContact O-CB 3.46Å; V248-K251 PolarHBondContact O-N 3.43Å; V248-K251 VanDerWaalsContact O-N 3.08Å; V248-E252 PolarHBondContact O-N 2.8Å; V248-E252 VanDerWaalsContact O-N 3.16Å
249	H	88.3	Confident	75.9	Confident	16 Å²	16	96.8 Å²	96.8	7%	0.074	49%	0.491	C	S	.	.	H	α-helix	trans	-66.2	-33.5	178.8	-56.8	-47.9	0	0	0	113.2	C229 E231 H245 Q246 K251 E252 R253	C229-H249 PolarHBondContact SG-NE2 3.29Å; E231-H249 WeakPolarHBondContact OE2-CB 3.33Å; E231-H249 IonicContact OE2-CD2 3.11Å; E231-H249 IonicContact OE2-CG 3.81Å; H245-H249 AromaticContact CD2-NE2 3.89Å; H245-H249 AromaticContact CE1-CE1 3.99Å; H245-H249 AromaticContact CE1-NE2 3.61Å; H245-H249 AromaticContact NE2-CE1 3.83Å; H245-H249 AromaticContact NE2-NE2 3.07Å; H245-H249 PolarHBondContact NE2-NE2 3.21Å; Q246-H249 PolarHBondContact O-N 3.49Å; H249-K251 VanDerWaalsContact C-N 3.26Å; H249-K251 PolarHBondContact O-N 3.3Å; H249-E252 PolarHBondContact O-N 3.42Å; H249-R253 PolarHBondContact O-N 3.23Å
250	T	78.7	Confident	73.1	Confident	79 Å²	79	99.6 Å²	99.6	49%	0.485	51%	0.505	S	S	.	.	H	α-helix	trans	-64.7	-31	174.3	63.8	0	0	0	0	112.6	Q246 R247 V248 N254	Q246-T250 PolarHBondContact O-N 2.97Å; R247-T250 WeakPolarHBondContact CA-OG1 3.42Å; R247-T250 PolarHBondContact O-N 3.33Å; R247-T250 PolarHBondContact O-OG1 2.85Å; V248-T250 VanDerWaalsContact C-N 3.32Å; V248-T250 PolarHBondContact O-N 3.44Å; T250-N254 PolarHBondContact O-N 2.83Å; T250-N254 PolarHBondContact O-ND2 2.79Å; T250-N254 VanDerWaalsContact O-ND2 3.13Å
251	K	67.3	Low	70.7	Confident	153 Å²	153	107.2 Å²	107.2	67%	0.665	54%	0.541	S	S	*	.	H	α-helix	trans	-73.1	-41.7	174.7	-67.9	-175.1	-177.5	-170.7	0	111.4	R247 V248 H249 N254 H255	R247-K251 PolarHBondContact O-N 3.47Å; V248-K251 WeakPolarHBondContact O-CB 3.46Å; V248-K251 PolarHBondContact O-N 3.43Å; V248-K251 VanDerWaalsContact O-N 3.08Å; H249-K251 VanDerWaalsContact C-N 3.26Å; H249-K251 PolarHBondContact O-N 3.3Å; K251-N254 PolarHBondContact O-N 3.35Å; K251-H255 PolarHBondContact O-N 2.94Å
252	E	59.2	Low	69.4	Low	112 Å²	112	110.4 Å²	110.4	52%	0.523	55%	0.553	S	S	.	*	H	α-helix	trans	-64.8	-39.4	177.4	-67.9	179	178.4	0	0	112	V248 H249 N254 H255 L256	V248-E252 PolarHBondContact O-N 2.8Å; V248-E252 VanDerWaalsContact O-N 3.16Å; H249-E252 PolarHBondContact O-N 3.42Å; E252-N254 VanDerWaalsContact C-N 3.3Å; E252-N254 PolarHBondContact O-N 3.39Å; E252-H255 PolarHBondContact O-N 3.26Å; E252-L256 PolarHBondContact O-N 3.33Å
253	R	57	Low	68.1	Low	163 Å²	163	115.1 Å²	115.1	62%	0.615	58%	0.576	S	S	*	*	H	α-helix	trans	-62.3	-33.5	174	-84	178.8	117.2	162.2	0.8	113.6	H249 K257	H249-R253 PolarHBondContact O-N 3.23Å; R253-K257 PolarHBondContact O-N 3.27Å
254	N	52.4	Low	66.6	Low	104 Å²	104	117.9 Å²	117.9	56%	0.556	58%	0.583	S	S	*	*	H	α-helix	trans	-73.2	-34.4	176.9	-78.2	-39.8	0	0	0	111.8	T250 K251 E252 K257 I258	T250-N254 PolarHBondContact O-N 2.83Å; T250-N254 PolarHBondContact O-ND2 2.79Å; T250-N254 VanDerWaalsContact O-ND2 3.13Å; K251-N254 PolarHBondContact O-N 3.35Å; E252-N254 VanDerWaalsContact C-N 3.3Å; E252-N254 PolarHBondContact O-N 3.39Å; N254-K257 PolarHBondContact O-N 3.08Å; N254-I258 WeakPolarHBondContact O-CG1 3.5Å
255	H	50.1	Low	65	Low	149 Å²	149	118.4 Å²	118.4	69%	0.69	59%	0.585	S	S	*	*	H	α-helix	trans	-64.7	-40.9	174.5	-107.6	-77.1	0	0	0	112.6	K251 E252 K257 I258	K251-H255 PolarHBondContact O-N 2.94Å; E252-H255 PolarHBondContact O-N 3.26Å; H255-K257 VanDerWaalsContact C-N 3.29Å; H255-K257 PolarHBondContact O-N 3.31Å; H255-I258 PolarHBondContact O-N 3.29Å
256	L	51.9	Low	63.2	Low	138 Å²	138	124.2 Å²	124.2	72%	0.723	61%	0.614	S	S	*	*	H	α-helix	trans	-70.1	-22.5	179.5	-71.9	166.2	0	0	0	113.8	E252	E252-L256 PolarHBondContact O-N 3.33Å
257	K	50.2	Low	61.2	Low	169 Å²	169	127.5 Å²	127.5	74%	0.735	63%	0.631	S	S	*	*	H	α-helix	trans	-82.9	-18.3	178.1	-76.3	-171.7	177.2	-170.8	0	114.3	R253 N254 H255	R253-K257 PolarHBondContact O-N 3.27Å; N254-K257 PolarHBondContact O-N 3.08Å; H255-K257 VanDerWaalsContact C-N 3.29Å; H255-K257 PolarHBondContact O-N 3.31Å
258	I	49.8	Very low	59	Low	138 Å²	138	125.3 Å²	125.3	71%	0.708	63%	0.634	S	S	*	*	H	α-helix	trans	-84.6	-17.6	-177.6	-65.4	169.6	0	0	0	111.6	N254 H255 V260	N254-I258 WeakPolarHBondContact O-CG1 3.5Å; H255-I258 PolarHBondContact O-N 3.29Å; I258-V260 VanDerWaalsContact C-N 3.33Å; I258-V260 PolarHBondContact O-N 2.74Å
259	S	47.4	Very low	56.4	Low	102 Å²	102	129.6 Å²	129.6	71%	0.713	65%	0.651	S	S	*	*	S	Bend	trans	-90.8	28.7	-177.7	-60.4	0	0	0	0	115.2
260	V	37.5	Very low	53.8	Low	123 Å²	123	139.1 Å²	139.1	75%	0.745	70%	0.699	S	S	*	*			trans	-128.9	73.8	172	-169.2	0	0	0	0	110.2	I258	I258-V260 VanDerWaalsContact C-N 3.33Å; I258-V260 PolarHBondContact O-N 2.74Å
261	I	43.8	Very low	51.5	Low	239 Å²	239	144.5 Å²	144.5	100%	1.226	72%	0.718	S	S	*	*			trans	-146.8	0	149.5	-55.6	-175.6	0	0	0	105.6

Retrieved 261 of 261 residues in 68.4 ms (Link to these results)

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