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Protein O-linked-mannose beta-1,4-N-acetylglucosaminyltransferase 2

O-linked mannose beta-1,4-N-acetylglucosaminyltransferase that transfers UDP-N-acetyl-D-glucosamine to the 4-position of the mannose to generate N-acetyl-D-glucosamine-beta-1,4-O-D-mannosylprotein. Involved in the biosynthesis of the phosphorylated O-mannosyl trisaccharide (N-acetylgalactosamine-beta-3-N-acetylglucosamine-beta-4-(phosphate-6-)mannose), a carbohydrate structure present in alpha-dystroglycan (DAG1), which is required for binding laminin G-like domain-containing extracellular proteins with high affinity.

AlphaFold DB , UniProt , Accession A0A060WXG9, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110512912, Length 591 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	43.6	Very low	56.1	Low	247 Å²	247	143.7 Å²	143.7	100%	1.217	79%	0.793	S	S	*	*				0	115.3	0	-70.9	173.7	-171.4	0	0	108.7
2	R	40.6	Very low	57.5	Low	253 Å²	253	136.5 Å²	136.5	96%	0.955	77%	0.766	S	S	*	*			trans	-131.5	119.8	164.5	-85.9	-174.4	174.9	177.5	-1.2	106.9
3	A	45.7	Very low	59	Low	107 Å²	107	132 Å²	132	88%	0.884	74%	0.738	S	S	*	*			trans	-71.3	133.9	-178.6	0	0	0	0	0	110.5
4	A	46.7	Very low	60.5	Low	103 Å²	103	130.2 Å²	130.2	85%	0.851	73%	0.725	S	S	*	*			trans	-79.1	119.6	175.8	0	0	0	0	0	110.1	C6	A4-C6 PolarHBondContact O-N 2.91Å
5	S	52.4	Low	61.7	Low	107 Å²	107	128.4 Å²	128.4	75%	0.748	71%	0.713	S	S	*	*			trans	-73.5	108.2	170.5	163.3	0	0	0	0	109.5	R7	S5-R7 PolarHBondContact O-N 2.9Å
6	C	51.3	Low	62.9	Low	126 Å²	126	122.7 Å²	122.7	85%	0.851	69%	0.693	S	S	*	*			trans	-74.9	109.3	172.4	-158.1	0	0	0	0	109.6	A4	A4-C6 PolarHBondContact O-N 2.91Å
7	R	58.3	Low	64.2	Low	232 Å²	232	121.6 Å²	121.6	88%	0.875	68%	0.684	S	S	*	*			trans	-85.1	112.9	171.7	-80.4	-175	174.8	-178	-1.5	108.9	S5 N9	S5-R7 PolarHBondContact O-N 2.9Å; R7-N9 PolarHBondContact O-N 3.06Å
8	M	61	Low	65.5	Low	149 Å²	149	120.8 Å²	120.8	73%	0.734	68%	0.677	S	S	*	*			trans	-62.2	126.1	170.8	-86.1	162.9	56.8	0	0	110.7	V10 I13	M8-V10 PolarHBondContact O-N 2.96Å; M8-V10 VanDerWaalsContact O-N 3.16Å; M8-I13 HydrophobicContact CB-CD1 4.46Å; M8-I13 HydrophobicContact CE-CD1 3.58Å
9	N	74.3	Confident	66.6	Low	109 Å²	109	119.7 Å²	119.7	58%	0.583	67%	0.674	S	S	*	*			trans	-80.9	92.3	174.7	-172.5	-12.5	0	0	0	109.8	R7 A11 A12 I13	R7-N9 PolarHBondContact O-N 3.06Å; N9-A11 PolarHBondContact O-N 3.22Å; N9-A11 PolarHBondContact OD1-N 2.95Å; N9-A12 HydrophobicContact CB-CB 4.18Å; N9-A12 WeakPolarHBondContact O-CB 2.98Å; N9-A12 PolarHBondContact O-N 2.97Å; N9-I13 PolarHBondContact O-N 3.39Å
10	V	72.3	Confident	67.6	Low	92 Å²	92	117.6 Å²	117.6	56%	0.558	67%	0.667	S	S	*	*	H	α-helix	trans	-56.3	-32.5	-177.5	179.9	0	0	0	0	112.5	M8 I13 L14	M8-V10 PolarHBondContact O-N 2.96Å; M8-V10 VanDerWaalsContact O-N 3.16Å; V10-I13 PolarHBondContact O-N 3.47Å; V10-L14 HydrophobicContact CG1-CD1 3.98Å; V10-L14 HydrophobicContact CG1-CG 4.46Å; V10-L14 WeakPolarHBondContact O-CG 3.1Å; V10-L14 PolarHBondContact O-N 2.84Å
11	A	70.7	Confident	68.7	Low	56 Å²	56	115.9 Å²	115.9	46%	0.463	66%	0.658	S	S	.	*	H	α-helix	trans	-67.6	-37	177.6	0	0	0	0	0	112.6	N9 I13 L14 N15	N9-A11 PolarHBondContact O-N 3.22Å; N9-A11 PolarHBondContact OD1-N 2.95Å; A11-I13 VanDerWaalsContact C-N 3.33Å; A11-L14 PolarHBondContact O-N 2.77Å; A11-N15 WeakPolarHBondContact O-CB 3.47Å; A11-N15 PolarHBondContact O-N 2.73Å
12	A	72.7	Confident	70.9	Confident	57 Å²	57	107.3 Å²	107.3	47%	0.471	62%	0.62	S	S	.	*	H	α-helix	trans	-66.9	-36.3	175.3	0	0	0	0	0	111.7	N9 G16	N9-A12 HydrophobicContact CB-CB 4.18Å; N9-A12 WeakPolarHBondContact O-CB 2.98Å; N9-A12 PolarHBondContact O-N 2.97Å; A12-G16 PolarHBondContact O-N 3.03Å
13	I	78.1	Confident	73	Confident	78 Å²	78	97.8 Å²	97.8	40%	0.4	60%	0.596	S	S	.	*	H	α-helix	trans	-68.9	-44.4	176.9	-62.3	172	0	0	0	110.7	M8 N9 V10 A11 G16 L17	M8-I13 HydrophobicContact CB-CD1 4.46Å; M8-I13 HydrophobicContact CE-CD1 3.58Å; N9-I13 PolarHBondContact O-N 3.39Å; V10-I13 PolarHBondContact O-N 3.47Å; A11-I13 VanDerWaalsContact C-N 3.33Å; I13-G16 PolarHBondContact O-N 2.9Å; I13-L17 HydrophobicContact CG2-CD1 4.07Å; I13-L17 WeakPolarHBondContact O-CB 3.42Å; I13-L17 WeakPolarHBondContact O-CG 3.25Å; I13-L17 PolarHBondContact O-N 3.09Å
14	L	79.3	Confident	75.1	Confident	107 Å²	107	95.3 Å²	95.3	56%	0.56	58%	0.575	S	S	*	*	H	α-helix	trans	-63.9	-41.5	176.9	-76.4	166.2	0	0	0	112.1	V10 A11 L17 L18	V10-L14 HydrophobicContact CG1-CD1 3.98Å; V10-L14 HydrophobicContact CG1-CG 4.46Å; V10-L14 WeakPolarHBondContact O-CG 3.1Å; V10-L14 PolarHBondContact O-N 2.84Å; A11-L14 PolarHBondContact O-N 2.77Å; L14-L17 PolarHBondContact O-N 3.46Å; L14-L18 WeakPolarHBondContact O-CB 3.28Å; L14-L18 PolarHBondContact O-N 3.35Å
15	N	79.2	Confident	77.1	Confident	103 Å²	103	95.8 Å²	95.8	55%	0.551	56%	0.562	S	S	*	*	H	α-helix	trans	-65.9	-41.6	175.1	-78.4	-12.6	0	0	0	112.2	A11 L17 L18 V19	A11-N15 WeakPolarHBondContact O-CB 3.47Å; A11-N15 PolarHBondContact O-N 2.73Å; N15-L17 VanDerWaalsContact C-N 3.34Å; N15-L17 PolarHBondContact O-N 3.47Å; N15-L18 PolarHBondContact O-N 2.99Å; N15-V19 VanDerWaalsContact O-CG2 3.3Å; N15-V19 WeakPolarHBondContact O-CG2 3.34Å; N15-V19 PolarHBondContact O-N 3.32Å
16	G	80.3	Confident	78.8	Confident	37 Å²	37	95.7 Å²	95.7	38%	0.381	55%	0.553	S	S	.	*	H	α-helix	trans	-60.7	-42.3	174.6	0	0	0	0	0	112.5	A12 I13 S20	A12-G16 PolarHBondContact O-N 3.03Å; I13-G16 PolarHBondContact O-N 2.9Å; G16-S20 WeakPolarHBondContact O-CB 3.44Å; G16-S20 PolarHBondContact O-N 3.47Å; G16-S20 PolarHBondContact O-OG 2.92Å
17	L	84.9	Confident	80.5	Confident	104 Å²	104	97.4 Å²	97.4	55%	0.545	54%	0.542	S	S	.	.	H	α-helix	trans	-64.8	-44.4	174.9	-78.1	164.8	0	0	0	111.8	I13 L14 N15 S20 V21	I13-L17 HydrophobicContact CG2-CD1 4.07Å; I13-L17 WeakPolarHBondContact O-CB 3.42Å; I13-L17 WeakPolarHBondContact O-CG 3.25Å; I13-L17 PolarHBondContact O-N 3.09Å; L14-L17 PolarHBondContact O-N 3.46Å; N15-L17 VanDerWaalsContact C-N 3.34Å; N15-L17 PolarHBondContact O-N 3.47Å; L17-S20 PolarHBondContact O-N 2.81Å; L17-V21 VanDerWaalsContact O-CG2 3.3Å; L17-V21 WeakPolarHBondContact O-CG2 3.29Å; L17-V21 PolarHBondContact O-N 2.89Å
18	L	86.9	Confident	82	Confident	108 Å²	108	92.5 Å²	92.5	57%	0.565	53%	0.527	S	S	*	.	H	α-helix	trans	-62.3	-47.2	179.3	-176.2	66.4	0	0	0	111.6	L14 N15 S20 V21 V22	L14-L18 WeakPolarHBondContact O-CB 3.28Å; L14-L18 PolarHBondContact O-N 3.35Å; N15-L18 PolarHBondContact O-N 2.99Å; L18-S20 VanDerWaalsContact C-N 3.3Å; L18-S20 PolarHBondContact O-N 3.42Å; L18-V21 PolarHBondContact O-N 2.95Å; L18-V22 HydrophobicContact CD1-CG2 4.44Å; L18-V22 VanDerWaalsContact O-CG2 3.31Å; L18-V22 WeakPolarHBondContact O-CG2 3.4Å; L18-V22 PolarHBondContact O-N 3.44Å
19	V	87.5	Confident	83.4	Confident	100 Å²	100	93.1 Å²	93.1	61%	0.606	52%	0.522	S	S	*	.	H	α-helix	trans	-59.5	-42.3	175.7	173.7	0	0	0	0	110.9	N15 V21 V22 A23	N15-V19 VanDerWaalsContact O-CG2 3.3Å; N15-V19 WeakPolarHBondContact O-CG2 3.34Å; N15-V19 PolarHBondContact O-N 3.32Å; V19-V21 PolarHBondContact O-N 3.3Å; V19-V22 PolarHBondContact O-N 3.09Å; V19-A23 VanDerWaalsContact O-CB 3.26Å; V19-A23 WeakPolarHBondContact O-CB 3.31Å; V19-A23 PolarHBondContact O-N 3.42Å
20	S	85.8	Confident	83.9	Confident	77 Å²	77	91.4 Å²	91.4	54%	0.538	52%	0.515	S	S	.	.	H	α-helix	trans	-63.6	-41.2	177.7	-55.7	0	0	0	0	112.3	G16 L17 L18 A24	G16-S20 WeakPolarHBondContact O-CB 3.44Å; G16-S20 PolarHBondContact O-N 3.47Å; G16-S20 PolarHBondContact O-OG 2.92Å; L17-S20 PolarHBondContact O-N 2.81Å; L18-S20 VanDerWaalsContact C-N 3.3Å; L18-S20 PolarHBondContact O-N 3.42Å; S20-A24 WeakPolarHBondContact O-CB 3.28Å; S20-A24 PolarHBondContact O-N 2.88Å
21	V	91.1	Very high	84.6	Confident	81 Å²	81	94.1 Å²	94.1	49%	0.491	52%	0.516	S	S	.	.	H	α-helix	trans	-67.7	-44.8	177.9	171	0	0	0	0	111	L17 L18 V19 A24 L25	L17-V21 VanDerWaalsContact O-CG2 3.3Å; L17-V21 WeakPolarHBondContact O-CG2 3.29Å; L17-V21 PolarHBondContact O-N 2.89Å; L18-V21 PolarHBondContact O-N 2.95Å; V19-V21 PolarHBondContact O-N 3.3Å; V21-A24 PolarHBondContact O-N 3.14Å; V21-L25 HydrophobicContact CG1-CD1 4.05Å; V21-L25 WeakPolarHBondContact O-CG 3.41Å; V21-L25 PolarHBondContact O-N 3.33Å
22	V	88.9	Confident	85.3	Confident	68 Å²	68	96.6 Å²	96.6	41%	0.412	52%	0.52	S	S	.	.	H	α-helix	trans	-62.8	-43.9	177.1	172.5	0	0	0	0	110.7	L18 V19 A24 L25 L26	L18-V22 HydrophobicContact CD1-CG2 4.44Å; L18-V22 VanDerWaalsContact O-CG2 3.31Å; L18-V22 WeakPolarHBondContact O-CG2 3.4Å; L18-V22 PolarHBondContact O-N 3.44Å; V19-V22 PolarHBondContact O-N 3.09Å; V22-A24 VanDerWaalsContact C-N 3.35Å; V22-A24 PolarHBondContact O-N 2.99Å; V22-L25 PolarHBondContact O-N 2.77Å; V22-L26 HydrophobicContact CG1-CD1 3.93Å; V22-L26 HydrophobicContact CG1-CG 4.36Å; V22-L26 WeakPolarHBondContact O-CB 3.48Å; V22-L26 WeakPolarHBondContact O-CG 3.39Å; V22-L26 PolarHBondContact O-N 3.11Å
23	A	85.9	Confident	85.7	Confident	53 Å²	53	96.9 Å²	96.9	44%	0.438	52%	0.519	S	S	.	.	H	α-helix	trans	-61.2	-41.9	175.7	0	0	0	0	0	112.1	V19 L26 W27	V19-A23 VanDerWaalsContact O-CB 3.26Å; V19-A23 WeakPolarHBondContact O-CB 3.31Å; V19-A23 PolarHBondContact O-N 3.42Å; A23-L26 PolarHBondContact O-N 2.97Å; A23-W27 WeakPolarHBondContact O-CB 3.34Å; A23-W27 PolarHBondContact O-N 2.74Å
24	A	88.7	Confident	85.8	Confident	55 Å²	55	98.6 Å²	98.6	46%	0.455	53%	0.526	S	S	.	.	H	α-helix	trans	-65.7	-38.5	176.6	0	0	0	0	0	112.6	S20 V21 V22 K28	S20-A24 WeakPolarHBondContact O-CB 3.28Å; S20-A24 PolarHBondContact O-N 2.88Å; V21-A24 PolarHBondContact O-N 3.14Å; V22-A24 VanDerWaalsContact C-N 3.35Å; V22-A24 PolarHBondContact O-N 2.99Å; A24-K28 WeakPolarHBondContact O-CB 3.13Å; A24-K28 PolarHBondContact O-N 3.07Å
25	L	88.9	Confident	85.8	Confident	112 Å²	112	99.1 Å²	99.1	59%	0.586	53%	0.525	S	S	*	.	H	α-helix	trans	-66.9	-44.8	175.3	-74.3	171.1	0	0	0	111.7	V21 V22 K28 Y29	V21-L25 HydrophobicContact CG1-CD1 4.05Å; V21-L25 WeakPolarHBondContact O-CG 3.41Å; V21-L25 PolarHBondContact O-N 3.33Å; V22-L25 PolarHBondContact O-N 2.77Å; L25-K28 PolarHBondContact O-N 2.68Å; L25-Y29 WeakPolarHBondContact O-CB 3.37Å; L25-Y29 PolarHBondContact O-N 3.21Å
26	L	88	Confident	85.8	Confident	105 Å²	105	96.4 Å²	96.4	55%	0.55	52%	0.517	S	S	.	.	H	α-helix	trans	-61.8	-44.9	175.4	-73.5	171.3	0	0	0	111.2	V22 A23 K28 Y29 V30	V22-L26 HydrophobicContact CG1-CD1 3.93Å; V22-L26 HydrophobicContact CG1-CG 4.36Å; V22-L26 WeakPolarHBondContact O-CB 3.48Å; V22-L26 WeakPolarHBondContact O-CG 3.39Å; V22-L26 PolarHBondContact O-N 3.11Å; A23-L26 PolarHBondContact O-N 2.97Å; L26-K28 VanDerWaalsContact C-N 3.35Å; L26-K28 PolarHBondContact O-N 2.75Å; L26-Y29 WeakPolarHBondContact O-CB 3.44Å; L26-Y29 PolarHBondContact O-N 3.16Å; L26-V30 VanDerWaalsContact O-CG2 3.31Å; L26-V30 WeakPolarHBondContact O-CG2 3.33Å; L26-V30 PolarHBondContact O-N 2.98Å
27	W	88.7	Confident	85.3	Confident	162 Å²	162	97.1 Å²	97.1	61%	0.614	52%	0.519	S	S	*	.	H	α-helix	trans	-60.8	-43.6	176.4	-178.6	79.6	0	0	0	112.2	A23 V30 R31	A23-W27 WeakPolarHBondContact O-CB 3.34Å; A23-W27 PolarHBondContact O-N 2.74Å; W27-V30 PolarHBondContact O-N 3.49Å; W27-R31 HydrophobicContact CD2-CG 4.43Å; W27-R31 HydrophobicContact CH2-CG 4.33Å; W27-R31 HydrophobicContact CZ2-CG 4.06Å; W27-R31 WeakPolarHBondContact O-CB 3.47Å; W27-R31 PolarHBondContact O-N 3.32Å
28	K	89.1	Confident	84.8	Confident	130 Å²	130	95.6 Å²	95.6	57%	0.565	51%	0.514	S	S	*	.	H	α-helix	trans	-66.1	-39.2	176.5	-172	175.6	-179.9	-179.4	0	112	A24 L25 L26 R31 L32	A24-K28 WeakPolarHBondContact O-CB 3.13Å; A24-K28 PolarHBondContact O-N 3.07Å; L25-K28 PolarHBondContact O-N 2.68Å; L26-K28 VanDerWaalsContact C-N 3.35Å; L26-K28 PolarHBondContact O-N 2.75Å; K28-R31 PolarHBondContact O-N 2.73Å; K28-L32 HydrophobicContact CG-CD1 4.14Å; K28-L32 WeakPolarHBondContact O-CB 3.23Å; K28-L32 WeakPolarHBondContact O-CG 3.46Å; K28-L32 PolarHBondContact O-N 3.4Å
29	Y	90.3	Very high	84.2	Confident	161 Å²	161	94.7 Å²	94.7	63%	0.631	51%	0.509	S	S	*	.	H	α-helix	trans	-61.9	-48.8	175	175.5	-94.6	0	0	0	111.2	L25 L26 R31 L32 S33	L25-Y29 WeakPolarHBondContact O-CB 3.37Å; L25-Y29 PolarHBondContact O-N 3.21Å; L26-Y29 WeakPolarHBondContact O-CB 3.44Å; L26-Y29 PolarHBondContact O-N 3.16Å; Y29-R31 PolarHBondContact O-N 3.34Å; Y29-L32 PolarHBondContact O-N 3.2Å; Y29-S33 WeakPolarHBondContact O-CB 3.29Å; Y29-S33 PolarHBondContact O-N 2.97Å
30	V	85	Confident	83.6	Confident	73 Å²	73	96.5 Å²	96.5	44%	0.442	51%	0.511	S	S	.	.	H	α-helix	trans	-57.9	-48.6	176.4	171.8	0	0	0	0	110.6	L26 W27 L32 S33 E34	L26-V30 VanDerWaalsContact O-CG2 3.31Å; L26-V30 WeakPolarHBondContact O-CG2 3.33Å; L26-V30 PolarHBondContact O-N 2.98Å; W27-V30 PolarHBondContact O-N 3.49Å; V30-L32 VanDerWaalsContact C-N 3.34Å; V30-L32 PolarHBondContact O-N 2.88Å; V30-S33 WeakPolarHBondContact O-CB 3.42Å; V30-S33 PolarHBondContact O-N 3.48Å; V30-E34 HydrophobicContact CG1-CG 4.45Å; V30-E34 WeakPolarHBondContact O-CG 3.42Å; V30-E34 PolarHBondContact O-N 3.32Å
31	R	87.1	Confident	83	Confident	149 Å²	149	98.3 Å²	98.3	56%	0.562	51%	0.511	S	S	*	.	H	α-helix	trans	-57.2	-42.2	175.7	-91.2	-98.2	-176.3	159.7	-2.4	113.6	W27 K28 Y29 H35	W27-R31 HydrophobicContact CD2-CG 4.43Å; W27-R31 HydrophobicContact CH2-CG 4.33Å; W27-R31 HydrophobicContact CZ2-CG 4.06Å; W27-R31 WeakPolarHBondContact O-CB 3.47Å; W27-R31 PolarHBondContact O-N 3.32Å; K28-R31 PolarHBondContact O-N 2.73Å; Y29-R31 PolarHBondContact O-N 3.34Å; R31-H35 WeakPolarHBondContact O-CB 3.42Å; R31-H35 PolarHBondContact O-N 3.06Å
32	L	83.9	Confident	82.2	Confident	108 Å²	108	99.8 Å²	99.8	57%	0.565	51%	0.513	S	S	*	.	H	α-helix	trans	-69.8	-38.9	177.9	-78	167.9	0	0	0	111.5	K28 Y29 V30 H35 A36	K28-L32 HydrophobicContact CG-CD1 4.14Å; K28-L32 WeakPolarHBondContact O-CB 3.23Å; K28-L32 WeakPolarHBondContact O-CG 3.46Å; K28-L32 PolarHBondContact O-N 3.4Å; Y29-L32 PolarHBondContact O-N 3.2Å; V30-L32 VanDerWaalsContact C-N 3.34Å; V30-L32 PolarHBondContact O-N 2.88Å; L32-H35 PolarHBondContact O-N 3.4Å; L32-A36 WeakPolarHBondContact O-CB 3.44Å; L32-A36 PolarHBondContact O-N 3.35Å
33	S	81.4	Confident	81.6	Confident	64 Å²	64	100.9 Å²	100.9	45%	0.448	52%	0.516	S	S	.	.	H	α-helix	trans	-63.7	-44.1	175.3	-168.5	0	0	0	0	111.5	Y29 V30 A36 A37	Y29-S33 WeakPolarHBondContact O-CB 3.29Å; Y29-S33 PolarHBondContact O-N 2.97Å; V30-S33 WeakPolarHBondContact O-CB 3.42Å; V30-S33 PolarHBondContact O-N 3.48Å; S33-A36 PolarHBondContact O-N 3.28Å; S33-A37 WeakPolarHBondContact O-CB 3.38Å; S33-A37 PolarHBondContact O-N 3.28Å
34	E	80.6	Confident	80.9	Confident	114 Å²	114	100.4 Å²	100.4	53%	0.533	50%	0.504	S	S	.	.	H	α-helix	trans	-60.3	-45.5	173.9	-73.8	173.1	174.9	0	0	111.1	V30 A37 V38	V30-E34 HydrophobicContact CG1-CG 4.45Å; V30-E34 WeakPolarHBondContact O-CG 3.42Å; V30-E34 PolarHBondContact O-N 3.32Å; E34-A37 PolarHBondContact O-N 3.13Å; E34-V38 WeakPolarHBondContact O-CG2 3.34Å; E34-V38 PolarHBondContact O-N 3.34Å
35	H	79.9	Confident	80	Confident	117 Å²	117	99.4 Å²	99.4	54%	0.542	49%	0.491	S	S	.	.	H	α-helix	trans	-67.3	-37	179.6	-161.4	92.5	0	0	0	112.8	R31 L32 V38 L39	R31-H35 WeakPolarHBondContact O-CB 3.42Å; R31-H35 PolarHBondContact O-N 3.06Å; L32-H35 PolarHBondContact O-N 3.4Å; H35-V38 PolarHBondContact O-N 3.01Å; H35-L39 WeakPolarHBondContact O-CG 3.41Å; H35-L39 PolarHBondContact O-N 2.66Å
36	A	77.8	Confident	79.1	Confident	46 Å²	46	97.5 Å²	97.5	38%	0.38	49%	0.485	S	S	.	.	H	α-helix	trans	-64.3	-42.8	174.1	0	0	0	0	0	111.4	L32 S33 V38 L39 E40	L32-A36 WeakPolarHBondContact O-CB 3.44Å; L32-A36 PolarHBondContact O-N 3.35Å; S33-A36 PolarHBondContact O-N 3.28Å; A36-V38 VanDerWaalsContact C-N 3.34Å; A36-V38 PolarHBondContact O-N 3.18Å; A36-L39 PolarHBondContact O-N 2.96Å; A36-E40 WeakPolarHBondContact O-CG 3.13Å; A36-E40 PolarHBondContact O-N 3.01Å
37	A	70.6	Confident	78.3	Confident	53 Å²	53	99.7 Å²	99.7	44%	0.438	49%	0.485	S	S	.	.	H	α-helix	trans	-60.7	-42.2	175.9	0	0	0	0	0	112.1	S33 E34 E40 E41	S33-A37 WeakPolarHBondContact O-CB 3.38Å; S33-A37 PolarHBondContact O-N 3.28Å; E34-A37 PolarHBondContact O-N 3.13Å; A37-E40 PolarHBondContact O-N 3.23Å; A37-E41 WeakPolarHBondContact O-CB 3.35Å; A37-E41 PolarHBondContact O-N 3.04Å
38	V	73.9	Confident	77.3	Confident	71 Å²	71	92 Å²	92	43%	0.43	46%	0.457	S	S	.	.	H	α-helix	trans	-62.7	-44.2	175.2	172.8	0	0	0	0	111.6	E34 H35 A36 E40 E41 E42	E34-V38 WeakPolarHBondContact O-CG2 3.34Å; E34-V38 PolarHBondContact O-N 3.34Å; H35-V38 PolarHBondContact O-N 3.01Å; A36-V38 VanDerWaalsContact C-N 3.34Å; A36-V38 PolarHBondContact O-N 3.18Å; V38-E40 PolarHBondContact O-N 2.97Å; V38-E41 WeakPolarHBondContact O-CB 3.1Å; V38-E41 PolarHBondContact O-N 2.96Å; V38-E42 WeakPolarHBondContact O-CG 3.47Å; V38-E42 PolarHBondContact O-N 3.46Å
39	L	74.1	Confident	76.2	Confident	89 Å²	89	88.8 Å²	88.8	47%	0.466	45%	0.45	S	S	.	.	H	α-helix	trans	-65.6	-37.4	178	-77.5	168.3	0	0	0	112.7	H35 A36 L43	H35-L39 WeakPolarHBondContact O-CG 3.41Å; H35-L39 PolarHBondContact O-N 2.66Å; A36-L39 PolarHBondContact O-N 2.96Å; L39-L43 VanDerWaalsContact O-CB 3.3Å; L39-L43 WeakPolarHBondContact O-CB 3.44Å; L39-L43 PolarHBondContact O-N 3.31Å
40	E	76.2	Confident	74.9	Confident	138 Å²	138	85.9 Å²	85.9	65%	0.645	44%	0.442	S	S	*	.	H	α-helix	trans	-63.8	-43.2	173.6	-78.2	179.6	171.5	0	0	111.2	A36 A37 V38 L43 Q44	A36-E40 WeakPolarHBondContact O-CG 3.13Å; A36-E40 PolarHBondContact O-N 3.01Å; A37-E40 PolarHBondContact O-N 3.23Å; V38-E40 PolarHBondContact O-N 2.97Å; E40-L43 PolarHBondContact O-N 3.2Å; E40-Q44 VanDerWaalsContact O-CB 3.3Å; E40-Q44 WeakPolarHBondContact O-CB 3.37Å; E40-Q44 PolarHBondContact O-N 3.33Å
41	E	73.4	Confident	74.1	Confident	116 Å²	116	85.4 Å²	85.4	54%	0.542	44%	0.435	S	S	.	.	H	α-helix	trans	-60.9	-47.4	175	-171.6	178.9	-175.9	0	0	111.6	A37 V38 L43 Q44 L45	A37-E41 WeakPolarHBondContact O-CB 3.35Å; A37-E41 PolarHBondContact O-N 3.04Å; V38-E41 WeakPolarHBondContact O-CB 3.1Å; V38-E41 PolarHBondContact O-N 2.96Å; E41-L43 PolarHBondContact O-N 2.91Å; E41-Q44 PolarHBondContact O-N 2.87Å; E41-L45 HydrophobicContact CG-CD1 4.19Å; E41-L45 WeakPolarHBondContact O-CB 3.37Å; E41-L45 VanDerWaalsContact O-CG 3.31Å; E41-L45 WeakPolarHBondContact O-CG 3.33Å; E41-L45 PolarHBondContact O-N 3.25Å
42	E	73.7	Confident	73	Confident	112 Å²	112	79.4 Å²	79.4	52%	0.523	41%	0.414	S	S	.	.	H	α-helix	trans	-61.4	-43.8	176.5	-75.6	-174	171	0	0	112.5	V38 Q44 L45 T46	V38-E42 WeakPolarHBondContact O-CG 3.47Å; V38-E42 PolarHBondContact O-N 3.46Å; E42-Q44 VanDerWaalsContact C-N 3.3Å; E42-Q44 PolarHBondContact O-N 3.27Å; E42-L45 PolarHBondContact O-N 3.36Å; E42-T46 WeakPolarHBondContact O-CB 3.29Å; E42-T46 PolarHBondContact O-N 3.49Å; E42-T46 PolarHBondContact O-OG1 2.82Å
43	L	76.3	Confident	71.8	Confident	91 Å²	91	78.4 Å²	78.4	48%	0.476	42%	0.416	S	S	.	.	H	α-helix	trans	-62.2	-41	177.1	179.9	65.1	0	0	0	110.9	L39 E40 E41 T46 R47	L39-L43 VanDerWaalsContact O-CB 3.3Å; L39-L43 WeakPolarHBondContact O-CB 3.44Å; L39-L43 PolarHBondContact O-N 3.31Å; E40-L43 PolarHBondContact O-N 3.2Å; E41-L43 PolarHBondContact O-N 2.91Å; L43-T46 WeakPolarHBondContact O-CB 3.36Å; L43-T46 PolarHBondContact O-N 2.58Å; L43-R47 WeakPolarHBondContact O-CG 3.47Å; L43-R47 PolarHBondContact O-N 3.38Å
44	Q	71.2	Confident	70.6	Confident	42 Å²	42	82.1 Å²	82.1	20%	0.196	43%	0.427	C	S	.	.	H	α-helix	trans	-70.3	-44.2	-179.5	-168.5	178.9	-30	0	0	112	E40 E41 E42 T46 R47 Q48 E205	E40-Q44 VanDerWaalsContact O-CB 3.3Å; E40-Q44 WeakPolarHBondContact O-CB 3.37Å; E40-Q44 PolarHBondContact O-N 3.33Å; E41-Q44 PolarHBondContact O-N 2.87Å; E42-Q44 VanDerWaalsContact C-N 3.3Å; E42-Q44 PolarHBondContact O-N 3.27Å; Q44-T46 PolarHBondContact O-N 3.4Å; Q44-R47 PolarHBondContact O-N 2.92Å; Q44-R47 VanDerWaalsContact O-N 3.15Å; Q44-Q48 WeakPolarHBondContact O-CG 3.31Å; Q44-Q48 PolarHBondContact O-N 2.79Å; Q44-E205 PolarHBondContact NE2-OE1 3.3Å; Q44-E205 PolarHBondContact OE1-OE1 2.91Å
45	L	70.1	Confident	69.7	Low	34 Å²	34	78.3 Å²	78.3	18%	0.178	42%	0.415	C	S	.	.	H	α-helix	trans	-56.8	-41.4	171.9	-75.5	170.1	0	0	0	111.3	E41 E42 Q48 S49 Q225	E41-L45 HydrophobicContact CG-CD1 4.19Å; E41-L45 WeakPolarHBondContact O-CB 3.37Å; E41-L45 VanDerWaalsContact O-CG 3.31Å; E41-L45 WeakPolarHBondContact O-CG 3.33Å; E41-L45 PolarHBondContact O-N 3.25Å; E42-L45 PolarHBondContact O-N 3.36Å; L45-Q48 PolarHBondContact O-N 3.26Å; L45-S49 WeakPolarHBondContact O-CB 3.49Å; L45-S49 PolarHBondContact O-N 2.85Å; L45-Q225 HydrophobicContact CD2-CB 4.22Å; L45-Q225 HydrophobicContact CD2-CG 3.89Å
46	T	69.1	Low	68.9	Low	73 Å²	73	84.6 Å²	84.6	45%	0.448	43%	0.434	S	S	.	.	H	α-helix	trans	-63.2	-44.6	176.4	-56.7	0	0	0	0	111.4	E42 L43 Q44 S49 Q50	E42-T46 WeakPolarHBondContact O-CB 3.29Å; E42-T46 PolarHBondContact O-N 3.49Å; E42-T46 PolarHBondContact O-OG1 2.82Å; L43-T46 WeakPolarHBondContact O-CB 3.36Å; L43-T46 PolarHBondContact O-N 2.58Å; Q44-T46 PolarHBondContact O-N 3.4Å; T46-S49 PolarHBondContact O-N 3.16Å; T46-Q50 WeakPolarHBondContact O-CB 3.25Å; T46-Q50 VanDerWaalsContact O-CG 3.29Å; T46-Q50 WeakPolarHBondContact O-CG 3.25Å; T46-Q50 PolarHBondContact O-N 2.85Å
47	R	71.8	Confident	69.1	Low	150 Å²	150	85.2 Å²	85.2	57%	0.566	43%	0.43	S	S	*	.	H	α-helix	trans	-62.9	-44.3	175.8	-75.7	177.4	177.3	173.5	0.7	112.2	L43 Q44 Q50 E51	L43-R47 WeakPolarHBondContact O-CG 3.47Å; L43-R47 PolarHBondContact O-N 3.38Å; Q44-R47 PolarHBondContact O-N 2.92Å; Q44-R47 VanDerWaalsContact O-N 3.15Å; R47-Q50 WeakPolarHBondContact O-CB 3.41Å; R47-Q50 PolarHBondContact O-N 2.97Å; R47-E51 WeakPolarHBondContact O-CG 3.43Å; R47-E51 PolarHBondContact O-N 3.23Å
48	Q	68.4	Low	69.9	Low	2 Å²	2	87.6 Å²	87.6	1%	0.009	44%	0.435	C	S	.	.	H	α-helix	trans	-63.5	-43.5	177.6	-73.9	179.1	-16.6	0	0	112	Q44 L45 Q50 E51 L52 Q219 P220 F229	Q44-Q48 WeakPolarHBondContact O-CG 3.31Å; Q44-Q48 PolarHBondContact O-N 2.79Å; L45-Q48 PolarHBondContact O-N 3.26Å; Q48-Q50 VanDerWaalsContact C-N 3.3Å; Q48-Q50 PolarHBondContact O-N 2.84Å; Q48-E51 PolarHBondContact O-N 3.4Å; Q48-L52 WeakPolarHBondContact O-CB 3.48Å; Q48-L52 PolarHBondContact O-N 2.82Å; Q48-Q219 HydrophobicContact CG-CB 4.08Å; Q48-Q219 HydrophobicContact CG-CG 4.47Å; Q48-P220 PolarHBondContact NE2-O 3.04Å; Q48-F229 HydrophobicContact CB-CZ 4.22Å
49	S	65.4	Low	70.8	Confident	61 Å²	61	88 Å²	88	43%	0.427	43%	0.429	S	S	.	.	H	α-helix	trans	-60.2	-42.3	174	-176.9	0	0	0	0	111.3	L45 T46 L52 S53	L45-S49 WeakPolarHBondContact O-CB 3.49Å; L45-S49 PolarHBondContact O-N 2.85Å; T46-S49 PolarHBondContact O-N 3.16Å; S49-L52 PolarHBondContact O-N 3.06Å; S49-S53 VanDerWaalsContact O-CB 3.31Å; S49-S53 WeakPolarHBondContact O-CB 3.34Å; S49-S53 PolarHBondContact O-N 3.47Å; S49-S53 PolarHBondContact O-OG 2.98Å
50	Q	62.5	Low	71.6	Confident	101 Å²	101	90.2 Å²	90.2	47%	0.472	44%	0.437	S	S	.	.	H	α-helix	trans	-63.3	-45.5	174.7	-75.9	176.4	-3.2	0	0	112.2	T46 R47 Q48 L52 S53 Q54	T46-Q50 WeakPolarHBondContact O-CB 3.25Å; T46-Q50 VanDerWaalsContact O-CG 3.29Å; T46-Q50 WeakPolarHBondContact O-CG 3.25Å; T46-Q50 PolarHBondContact O-N 2.85Å; R47-Q50 WeakPolarHBondContact O-CB 3.41Å; R47-Q50 PolarHBondContact O-N 2.97Å; Q48-Q50 VanDerWaalsContact C-N 3.3Å; Q48-Q50 PolarHBondContact O-N 2.84Å; Q50-L52 PolarHBondContact O-N 3.38Å; Q50-S53 WeakPolarHBondContact CA-OG 3.37Å; Q50-S53 CarbonylContact O-C 3.59Å; Q50-S53 PolarHBondContact O-N 2.89Å; Q50-S53 PolarHBondContact O-OG 2.96Å; Q50-Q54 WeakPolarHBondContact O-CB 3.39Å; Q50-Q54 VanDerWaalsContact O-CG 3.26Å; Q50-Q54 WeakPolarHBondContact O-CG 3.32Å; Q50-Q54 PolarHBondContact O-N 2.99Å
51	E	68.8	Low	72.5	Confident	63 Å²	63	85.9 Å²	85.9	29%	0.294	43%	0.425	S	S	.	.	H	α-helix	trans	-58.2	-48.1	175.3	-77.2	-180	-172.9	0	0	112	R47 Q48 S53 Q54 A55 R196	R47-E51 WeakPolarHBondContact O-CG 3.43Å; R47-E51 PolarHBondContact O-N 3.23Å; Q48-E51 PolarHBondContact O-N 3.4Å; E51-S53 PolarHBondContact O-N 3.24Å; E51-Q54 PolarHBondContact O-N 3.38Å; E51-Q54 VanDerWaalsContact O-N 3.15Å; E51-A55 PolarHBondContact O-N 3.21Å; E51-A55 VanDerWaalsContact O-N 3.16Å; E51-R196 IonicContact OE2-NH1 3.85Å; E51-R196 PolarHBondContact OE2-NH1 3.16Å; E51-R196 IonicContact OE2-NH2 3.76Å
52	L	64.5	Low	73.5	Confident	22 Å²	22	80.5 Å²	80.5	12%	0.115	40%	0.4	C	S	.	.	H	α-helix	trans	-62.3	-35.9	178	-157	85.8	0	0	0	111.2	Q48 S49 Q50 V153 V155	Q48-L52 WeakPolarHBondContact O-CB 3.48Å; Q48-L52 PolarHBondContact O-N 2.82Å; S49-L52 PolarHBondContact O-N 3.06Å; Q50-L52 PolarHBondContact O-N 3.38Å; L52-V153 HydrophobicContact CD2-CG1 4.24Å; L52-V155 HydrophobicContact CD1-CG1 4.2Å; L52-V155 HydrophobicContact CD1-CG2 4.37Å
53	S	58.3	Low	74.5	Confident	88 Å²	88	76.7 Å²	76.7	62%	0.615	38%	0.383	S	S	*	.	H	α-helix	trans	-73.9	-27.2	176.4	78.9	0	0	0	0	113.9	S49 Q50 E51	S49-S53 VanDerWaalsContact O-CB 3.31Å; S49-S53 WeakPolarHBondContact O-CB 3.34Å; S49-S53 PolarHBondContact O-N 3.47Å; S49-S53 PolarHBondContact O-OG 2.98Å; Q50-S53 WeakPolarHBondContact CA-OG 3.37Å; Q50-S53 CarbonylContact O-C 3.59Å; Q50-S53 PolarHBondContact O-N 2.89Å; Q50-S53 PolarHBondContact O-OG 2.96Å; E51-S53 PolarHBondContact O-N 3.24Å
54	Q	56.5	Low	75.4	Confident	142 Å²	142	76.5 Å²	76.5	66%	0.664	38%	0.383	S	S	*	.	H	α-helix	trans	-78.6	-29.6	179.6	-78.8	174.6	9.6	0	0	112.1	Q50 E51 R56	Q50-Q54 WeakPolarHBondContact O-CB 3.39Å; Q50-Q54 VanDerWaalsContact O-CG 3.26Å; Q50-Q54 WeakPolarHBondContact O-CG 3.32Å; Q50-Q54 PolarHBondContact O-N 2.99Å; E51-Q54 PolarHBondContact O-N 3.38Å; E51-Q54 VanDerWaalsContact O-N 3.15Å; Q54-R56 PolarHBondContact O-N 3.22Å
55	A	61.2	Low	76.6	Confident	34 Å²	34	75.3 Å²	75.3	28%	0.281	38%	0.38	S	S	.	.	S	Bend	trans	-68	95.9	170.8	0	0	0	0	0	109.8	E51 I57 P156	E51-A55 PolarHBondContact O-N 3.21Å; E51-A55 VanDerWaalsContact O-N 3.16Å; A55-I57 PolarHBondContact O-N 3.07Å; A55-P156 HydrophobicContact CB-CB 4.42Å; A55-P156 HydrophobicContact CB-CG 3.38Å
56	R	63.3	Low	77.8	Confident	249 Å²	249	73.7 Å²	73.7	94%	0.94	37%	0.371	S	S	*	.			trans	-66.5	101	-179.1	-81.6	-176.5	175.1	177.1	-0.7	110.7	Q54	Q54-R56 PolarHBondContact O-N 3.22Å
57	I	81.6	Confident	79.1	Confident	58 Å²	58	73.8 Å²	73.8	30%	0.297	37%	0.367	S	S	.	.			trans	-99.6	136.3	159.2	-168.9	164.3	0	0	0	109.9	A55 Y59 A62 F154 P156 T236	A55-I57 PolarHBondContact O-N 3.07Å; I57-Y59 PolarHBondContact O-N 3.4Å; I57-A62 HydrophobicContact CD1-CB 3.73Å; I57-A62 HydrophobicContact CG1-CB 4.06Å; I57-F154 HydrophobicContact CD1-CB 3.93Å; I57-F154 HydrophobicContact CD1-CG 4.45Å; I57-F154 HydrophobicContact CG2-CB 4.32Å; I57-P156 HydrophobicContact CB-CB 4.05Å; I57-P156 HydrophobicContact CD1-CB 4.25Å; I57-T236 HydrophobicContact CD1-CG2 3.36Å
58	D	88.7	Confident	80.2	Confident	103 Å²	103	72.5 Å²	72.5	55%	0.551	37%	0.367	S	S	*	.			trans	-69.9	99.2	166.6	-175.4	-25.4	0	0	0	108.1	H60 A61 A62	D58-H60 VanDerWaalsContact C-N 3.26Å; D58-H60 PolarHBondContact O-N 3.12Å; D58-H60 PolarHBondContact OD1-N 3.37Å; D58-A61 HydrophobicContact CB-CB 3.77Å; D58-A61 PolarHBondContact O-N 3.26Å; D58-A61 PolarHBondContact OD1-N 2.78Å; D58-A62 WeakPolarHBondContact O-CB 3.33Å; D58-A62 PolarHBondContact O-N 3.2Å
59	Y	90.9	Very high	81.5	Confident	79 Å²	79	75.5 Å²	75.5	31%	0.31	38%	0.381	S	S	.	.	H	α-helix	trans	-54.4	-42.9	-178.7	-179.9	-93.2	0	0	0	112.4	I57 A62 L63 P152 F154	I57-Y59 PolarHBondContact O-N 3.4Å; Y59-A62 PolarHBondContact O-N 3.41Å; Y59-L63 HydrophobicContact CE1-CD2 4.01Å; Y59-L63 VanDerWaalsContact O-CB 3.3Å; Y59-L63 WeakPolarHBondContact O-CB 3.48Å; Y59-L63 PolarHBondContact O-N 3.24Å; Y59-P152 VanDerWaalsContact CE2-O 3.28Å; Y59-P152 WeakPolarHBondContact CE2-O 3.43Å; Y59-P152 PolarHBondContact OH-O 2.98Å; Y59-F154 AromaticContact CD2-CD2 3.95Å; Y59-F154 HydrophobicContact CD2-CD2 3.95Å; Y59-F154 HydrophobicContact CD2-CE2 4.19Å; Y59-F154 HydrophobicContact CE2-CD2 4.01Å; Y59-F154 AromaticContact CE2-CE2 3.99Å; Y59-F154 HydrophobicContact CE2-CE2 3.99Å
60	H	92.3	Very high	83	Confident	136 Å²	136	72.7 Å²	72.7	63%	0.63	36%	0.361	S	S	*	.	H	α-helix	trans	-68.9	-42.3	-178.2	-77.2	-66.3	0	0	0	110.7	D58 L63 L64	D58-H60 VanDerWaalsContact C-N 3.26Å; D58-H60 PolarHBondContact O-N 3.12Å; D58-H60 PolarHBondContact OD1-N 3.37Å; H60-L63 PolarHBondContact O-N 2.95Å; H60-L64 WeakPolarHBondContact O-CB 3.25Å; H60-L64 VanDerWaalsContact O-CG 3.23Å; H60-L64 WeakPolarHBondContact O-CG 3.49Å; H60-L64 PolarHBondContact O-N 2.91Å
61	A	94	Very high	84.6	Confident	48 Å²	48	67.9 Å²	67.9	40%	0.397	34%	0.339	S	S	.	.	H	α-helix	trans	-62.9	-43.6	175.4	0	0	0	0	0	112	D58 L64 A65	D58-A61 HydrophobicContact CB-CB 3.77Å; D58-A61 PolarHBondContact O-N 3.26Å; D58-A61 PolarHBondContact OD1-N 2.78Å; A61-L64 PolarHBondContact O-N 3.34Å; A61-A65 WeakPolarHBondContact O-CB 3.26Å; A61-A65 PolarHBondContact O-N 3.33Å
62	A	94.9	Very high	86	Confident	2 Å²	2	68.3 Å²	68.3	2%	0.017	34%	0.338	C	S	.	.	H	α-helix	trans	-64.9	-42	178.5	0	0	0	0	0	112.4	I57 D58 Y59 A65 L66 Y89 F154	I57-A62 HydrophobicContact CD1-CB 3.73Å; I57-A62 HydrophobicContact CG1-CB 4.06Å; D58-A62 WeakPolarHBondContact O-CB 3.33Å; D58-A62 PolarHBondContact O-N 3.2Å; Y59-A62 PolarHBondContact O-N 3.41Å; A62-A65 PolarHBondContact O-N 3.42Å; A62-L66 WeakPolarHBondContact O-CB 3.29Å; A62-L66 PolarHBondContact O-N 3.07Å; A62-Y89 HydrophobicContact CB-CE1 4.22Å; A62-F154 HydrophobicContact CB-CD1 4.08Å; A62-F154 HydrophobicContact CB-CD2 3.82Å; A62-F154 HydrophobicContact CB-CE1 4.09Å; A62-F154 HydrophobicContact CB-CE2 3.82Å; A62-F154 HydrophobicContact CB-CG 3.95Å; A62-F154 HydrophobicContact CB-CZ 3.97Å
63	L	95.8	Very high	87.6	Confident	32 Å²	32	67.5 Å²	67.5	17%	0.168	33%	0.333	C	S	.	.	H	α-helix	trans	-64.9	-44.4	175.9	-178.3	62.2	0	0	0	111.8	Y59 H60 L66 Q67 P152 F154	Y59-L63 HydrophobicContact CE1-CD2 4.01Å; Y59-L63 VanDerWaalsContact O-CB 3.3Å; Y59-L63 WeakPolarHBondContact O-CB 3.48Å; Y59-L63 PolarHBondContact O-N 3.24Å; H60-L63 PolarHBondContact O-N 2.95Å; L63-L66 PolarHBondContact O-N 2.92Å; L63-Q67 HydrophobicContact CD1-CG 4.35Å; L63-Q67 WeakPolarHBondContact O-CB 3.5Å; L63-Q67 VanDerWaalsContact O-CG 3.25Å; L63-Q67 WeakPolarHBondContact O-CG 2.93Å; L63-Q67 PolarHBondContact O-N 3.48Å; L63-P152 HydrophobicContact CD1-CG 4.03Å; L63-F154 HydrophobicContact CB-CE2 4.22Å; L63-F154 HydrophobicContact CB-CZ 4.36Å
64	L	95	Very high	89.4	Confident	88 Å²	88	65.8 Å²	65.8	46%	0.461	32%	0.319	S	S	.	.	H	α-helix	trans	-61.3	-45.3	175.5	-75.2	169.3	0	0	0	111	H60 A61 L66 Q67 E68	H60-L64 WeakPolarHBondContact O-CB 3.25Å; H60-L64 VanDerWaalsContact O-CG 3.23Å; H60-L64 WeakPolarHBondContact O-CG 3.49Å; H60-L64 PolarHBondContact O-N 2.91Å; A61-L64 PolarHBondContact O-N 3.34Å; L64-L66 PolarHBondContact O-N 3.33Å; L64-Q67 PolarHBondContact O-N 3.31Å; L64-Q67 VanDerWaalsContact O-N 3.17Å; L64-E68 WeakPolarHBondContact O-CB 3.44Å; L64-E68 WeakPolarHBondContact O-CG 3.46Å; L64-E68 PolarHBondContact O-N 3.26Å
65	A	95.5	Very high	91.2	Very high	17 Å²	17	59.7 Å²	59.7	14%	0.14	29%	0.292	C	S	.	.	H	α-helix	trans	-59.1	-45.9	176.9	0	0	0	0	0	111.8	A61 A62 Q67 H69 Y89	A61-A65 WeakPolarHBondContact O-CB 3.26Å; A61-A65 PolarHBondContact O-N 3.33Å; A62-A65 PolarHBondContact O-N 3.42Å; A65-Q67 VanDerWaalsContact C-N 3.35Å; A65-Q67 PolarHBondContact O-N 2.74Å; A65-H69 WeakPolarHBondContact O-CA 3.43Å; A65-H69 WeakPolarHBondContact O-CB 3.44Å; A65-H69 PolarHBondContact O-N 3.05Å; A65-Y89 HydrophobicContact CB-CE1 4.43Å; A65-Y89 HydrophobicContact CB-CE2 3.87Å; A65-Y89 WeakPolarHBondContact CB-OH 3.26Å
66	L	96.3	Very high	92.6	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-65.5	-36.7	176.4	174.2	61.7	0	0	0	112.1	A62 L63 L64 G70 Y89 F102 L146 F154	A62-L66 WeakPolarHBondContact O-CB 3.29Å; A62-L66 PolarHBondContact O-N 3.07Å; L63-L66 PolarHBondContact O-N 2.92Å; L64-L66 PolarHBondContact O-N 3.33Å; L66-G70 WeakPolarHBondContact O-CA 3.3Å; L66-G70 PolarHBondContact O-N 2.94Å; L66-Y89 HydrophobicContact CB-CD1 4.18Å; L66-Y89 HydrophobicContact CB-CG 4.36Å; L66-F102 HydrophobicContact CD1-CB 4.09Å; L66-F102 HydrophobicContact CD1-CD2 3.84Å; L66-F102 HydrophobicContact CD1-CG 4.28Å; L66-L146 HydrophobicContact CD1-CD1 4.45Å; L66-L146 HydrophobicContact CD2-CD1 3.89Å; L66-L146 HydrophobicContact CD2-CD2 3.92Å; L66-L146 HydrophobicContact CG-CD1 3.66Å; L66-F154 HydrophobicContact CB-CE1 4.47Å; L66-F154 HydrophobicContact CD2-CE1 4.12Å; L66-F154 HydrophobicContact CD2-CZ 4.21Å
67	Q	95.4	Very high	93.8	Very high	74 Å²	74	51.3 Å²	51.3	35%	0.346	27%	0.273	S	S	.	.	H	α-helix	trans	-70.5	-42.5	178.1	-75.9	175.8	-15.4	0	0	113.1	L63 L64 A65 L146	L63-Q67 HydrophobicContact CD1-CG 4.35Å; L63-Q67 WeakPolarHBondContact O-CB 3.5Å; L63-Q67 VanDerWaalsContact O-CG 3.25Å; L63-Q67 WeakPolarHBondContact O-CG 2.93Å; L63-Q67 PolarHBondContact O-N 3.48Å; L64-Q67 PolarHBondContact O-N 3.31Å; L64-Q67 VanDerWaalsContact O-N 3.17Å; A65-Q67 VanDerWaalsContact C-N 3.35Å; A65-Q67 PolarHBondContact O-N 2.74Å; Q67-L146 HydrophobicContact CG-CD1 3.92Å
68	E	94.9	Very high	93.8	Very high	123 Å²	123	57.4 Å²	57.4	58%	0.575	30%	0.297	S	S	*	.	H	α-helix	trans	-85.2	-39.5	-175.9	-68.4	-174.2	172.9	0	0	112.5	L64 S104	L64-E68 WeakPolarHBondContact O-CB 3.44Å; L64-E68 WeakPolarHBondContact O-CG 3.46Å; L64-E68 PolarHBondContact O-N 3.26Å; E68-S104 WeakPolarHBondContact O-CB 3.44Å; E68-S104 PolarHBondContact O-OG 3.34Å
69	H	95.5	Very high	93.8	Very high	66 Å²	66	58 Å²	58	31%	0.306	30%	0.298	S	S	.	.	H	α-helix	trans	-103	-16.9	-174.7	-55.4	-41.1	0	0	0	114.1	A65 S104 S106 S107	A65-H69 WeakPolarHBondContact O-CA 3.43Å; A65-H69 WeakPolarHBondContact O-CB 3.44Å; A65-H69 PolarHBondContact O-N 3.05Å; H69-S104 WeakPolarHBondContact CA-OG 3.48Å; H69-S104 PolarHBondContact O-OG 2.95Å; H69-S106 CarbonylContact O-C 3.55Å; H69-S107 WeakPolarHBondContact O-CA 3.35Å; H69-S107 PolarHBondContact O-N 3.36Å
70	G	96.5	Very high	93.7	Very high	1 Å²	1	55.5 Å²	55.5	1%	0.01	29%	0.289	C	S	.	.			trans	61.8	-160.5	-175.8	0	0	0	0	0	112.2	L66 F102 S104	L66-G70 WeakPolarHBondContact O-CA 3.3Å; L66-G70 PolarHBondContact O-N 2.94Å; G70-F102 CarbonylContact C-O 3.48Å; G70-F102 VanDerWaalsContact CA-O 3.27Å; G70-F102 WeakPolarHBondContact CA-O 3.35Å; G70-S104 PolarHBondContact N-OG 3.41Å
71	T	97.9	Very high	93.5	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.266	C	S	.	.			trans	-86.2	143.2	174.7	-52.2	0	0	0	0	109.6	F87 D88 Y89 L90 F101 F102 S107	T71-F87 HydrophobicContact CG2-CD1 4.03Å; T71-D88 VanDerWaalsContact CA-O 3.3Å; T71-D88 WeakPolarHBondContact CA-O 3.24Å; T71-D88 VanDerWaalsContact CG2-O 3.32Å; T71-D88 WeakPolarHBondContact CG2-O 3.39Å; T71-Y89 PolarHBondContact OG1-O 2.93Å; T71-L90 HydrophobicContact CG2-CB 4.49Å; T71-F101 HydrophobicContact CG2-CD2 3.34Å; T71-F101 HydrophobicContact CG2-CE2 3.52Å; T71-F101 HydrophobicContact CG2-CG 3.97Å; T71-F101 HydrophobicContact CG2-CZ 4.3Å; T71-F101 WeakPolarHBondContact O-CZ 3.3Å; T71-F102 PolarHBondContact N-O 2.97Å; T71-F102 PolarHBondContact OG1-N 3.49Å; T71-S107 WeakPolarHBondContact O-CA 3.3Å; T71-S107 WeakPolarHBondContact O-CB 3.38Å
72	R	97.7	Very high	93.2	Very high	73 Å²	73	51.4 Å²	51.4	28%	0.275	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	141.3	172.6	-64.9	169.8	177.9	165.4	6.2	109	F87 D88 S106 F108	R72-F87 CarbonylContact O-C 3.39Å; R72-F87 WeakPolarHBondContact O-CA 3.44Å; R72-D88 HydrophobicContact CB-CB 4.25Å; R72-D88 PolarHBondContact N-O 3.25Å; R72-D88 VanDerWaalsContact N-O 3.09Å; R72-D88 PolarHBondContact O-N 2.87Å; R72-S106 PolarHBondContact NE-O 3.43Å; R72-F108 HydrophobicContact CB-CD1 4.41Å; R72-F108 HydrophobicContact CB-CE1 4.01Å; R72-F108 HydrophobicContact CB-CE2 4.22Å; R72-F108 HydrophobicContact CB-CZ 3.91Å; R72-F108 VanDerWaalsContact CD-CE1 3.49Å; R72-F108 HydrophobicContact CG-CD1 3.94Å; R72-F108 HydrophobicContact CG-CE1 3.67Å; R72-F108 HydrophobicContact CG-CZ 4.09Å
73	M	96.8	Very high	93.1	Very high	4 Å²	4	52.2 Å²	52.2	2%	0.02	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	132.3	-179.4	-178.7	-171.4	79.5	0	0	111.1	C75 C85 R86 F87 F101 F108 M109 L110 L122 F138	M73-C75 VanDerWaalsContact SD-SG 3.7Å; M73-C85 HydrophobicContact CG-CB 4.19Å; M73-C85 HydrophobicContact SD-CB 4.46Å; M73-R86 CarbonylContact C-O 3.46Å; M73-R86 VanDerWaalsContact CA-O 3.32Å; M73-R86 WeakPolarHBondContact CA-O 3.44Å; M73-F87 HydrophobicContact CB-CD1 3.7Å; M73-F87 HydrophobicContact CB-CE1 3.65Å; M73-F87 HydrophobicContact CB-CG 4.42Å; M73-F87 HydrophobicContact CB-CZ 4.33Å; M73-F87 HydrophobicContact CG-CD1 3.8Å; M73-F87 HydrophobicContact CG-CD2 4.46Å; M73-F87 HydrophobicContact CG-CE1 3.39Å; M73-F87 HydrophobicContact CG-CE2 4.12Å; M73-F87 HydrophobicContact CG-CG 4.32Å; M73-F87 HydrophobicContact CG-CZ 3.56Å; M73-F87 HydrophobicContact SD-CD1 4.35Å; M73-F87 HydrophobicContact SD-CE1 3.36Å; M73-F87 WeakPolarHBondContact SD-CE1 3.3Å; M73-F87 HydrophobicContact SD-CE2 4.31Å; M73-F87 HydrophobicContact SD-CZ 3.34Å; M73-F87 WeakPolarHBondContact SD-CZ 3.3Å; M73-F101 HydrophobicContact CB-CE2 3.87Å; M73-F108 PolarHBondContact N-O 2.9Å; M73-M109 HydrophobicContact CB-CG 4.27Å; M73-M109 HydrophobicContact CE-CB 3.67Å; M73-M109 HydrophobicContact CE-CG 3.78Å; M73-M109 HydrophobicContact CE-SD 4.22Å; M73-L110 PolarHBondContact O-N 3.29Å; M73-L122 HydrophobicContact SD-CD2 4.04Å; M73-F138 HydrophobicContact SD-CE1 3.73Å; M73-F138 HydrophobicContact SD-CZ 4.03Å
74	V	96.4	Very high	93.1	Very high	52 Å²	52	51 Å²	51	32%	0.315	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	123.6	169.6	-177	0	0	0	0	109.1	R86 F108 L110	V74-R86 PolarHBondContact N-O 3.31Å; V74-R86 PolarHBondContact O-N 3.46Å; V74-F108 HydrophobicContact CG2-CE2 3.69Å; V74-F108 HydrophobicContact CG2-CZ 4.46Å; V74-L110 CarbonylContact C-O 3.58Å; V74-L110 VanDerWaalsContact CA-O 3.32Å; V74-L110 WeakPolarHBondContact CA-O 3.31Å
75	C	95.3	Very high	93.3	Very high	14 Å²	14	46.8 Å²	46.8	10%	0.095	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	145.3	178.2	-47.1	0	0	0	0	112.3	M73 R83 I84 C85 L110	M73-C75 VanDerWaalsContact SD-SG 3.7Å; C75-R83 HydrophobicContact CB-CG 3.79Å; C75-I84 CarbonylContact C-O 3.58Å; C75-I84 VanDerWaalsContact CA-O 3.24Å; C75-I84 WeakPolarHBondContact CA-O 3.39Å; C75-C85 HydrophobicContact CB-CB 4.04Å; C75-C85 WeakPolarHBondContact CB-SG 3.38Å; C75-C85 WeakPolarHBondContact SG-CB 3.43Å; C75-C85 CovalentContact SG-SG 2.03Å; C75-C85 PolarHBondContact SG-SG 3.12Å; C75-L110 PolarHBondContact N-O 2.94Å
76	T	90.7	Very high	93.4	Very high	71 Å²	71	50.4 Å²	50.4	44%	0.436	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	165.6	164.8	54.1	0	0	0	0	109.7	R83 I84 Y188	T76-R83 WeakPolarHBondContact O-CA 3.48Å; T76-R83 WeakPolarHBondContact O-CG 3.34Å; T76-I84 PolarHBondContact N-O 2.93Å; T76-I84 PolarHBondContact O-N 3.15Å; T76-I84 PolarHBondContact OG1-O 2.65Å; T76-Y188 PolarHBondContact OG1-OH 3.01Å
77	G	87	Confident	93.5	Very high	37 Å²	37	50.4 Å²	50.4	38%	0.381	25%	0.25	S	S	.	.	S	Bend	trans	88.5	157.8	-178.2	0	0	0	0	0	113.4	D82	G77-D82 WeakPolarHBondContact CA-OD2 3.5Å
78	K	83.5	Confident	93.6	Very high	186 Å²	186	48.8 Å²	48.8	81%	0.809	24%	0.244	S	C	*	.	S	Bend	trans	-100.2	-38.5	-172	-67.4	-177.4	-178.4	177.4	0	112.7	D82 R83	K78-D82 PolarHBondContact N-OD1 3.41Å; K78-D82 VanDerWaalsContact N-OD1 3.12Å; K78-D82 PolarHBondContact N-OD2 2.84Å; K78-R83 PolarHBondContact O-NH2 2.88Å; K78-R83 VanDerWaalsContact O-NH2 3.09Å
79	M	88.1	Confident	93.7	Very high	115 Å²	115	45.3 Å²	45.3	57%	0.567	23%	0.226	S	C	*	.	S	Bend	trans	-116.1	171.4	-175.9	-57.6	-173.4	-58.4	0	0	109.8	T81 D82 R83	M79-T81 HydrophobicContact CB-CG2 4.21Å; M79-T81 HydrophobicContact CE-CG2 3.98Å; M79-T81 PolarHBondContact O-N 2.95Å; M79-D82 WeakPolarHBondContact CA-OD1 3.34Å; M79-D82 PolarHBondContact N-OD1 3.34Å; M79-R83 WeakPolarHBondContact O-CB 3.43Å; M79-R83 PolarHBondContact O-N 3.27Å
80	H	88.4	Confident	93.9	Very high	27 Å²	27	42.1 Å²	42.1	13%	0.125	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-35.6	178.8	61.7	-66.5	0	0	0	112.1	D82 R83 P120 A121 L123 D124 D130	H80-D82 PolarHBondContact O-N 3.48Å; H80-R83 PolarHBondContact O-N 3.24Å; H80-P120 WeakPolarHBondContact ND1-CD 3.43Å; H80-A121 WeakPolarHBondContact CB-O 3.46Å; H80-L123 VanDerWaalsContact O-CA 3.3Å; H80-L123 WeakPolarHBondContact O-CA 3.48Å; H80-D124 IonicContact CD2-OD1 3.5Å; H80-D124 PolarHBondContact CD2-OD1 3.27Å; H80-D124 IonicContact CD2-OD2 3.88Å; H80-D124 PolarHBondContact O-N 2.73Å; H80-D130 IonicContact CD2-OD1 3.96Å; H80-D130 IonicContact CE1-OD1 3.47Å; H80-D130 PolarHBondContact CE1-OD1 2.81Å; H80-D130 IonicContact NE2-OD1 2.8Å; H80-D130 PolarHBondContact NE2-OD1 2.82Å
81	T	88.3	Confident	93.9	Very high	24 Å²	24	42.1 Å²	42.1	15%	0.147	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-32.2	-175.5	-169.6	0	0	0	0	114.9	M79 K244	M79-T81 HydrophobicContact CB-CG2 4.21Å; M79-T81 HydrophobicContact CE-CG2 3.98Å; M79-T81 PolarHBondContact O-N 2.95Å; T81-K244 WeakPolarHBondContact O-CD 3.34Å; T81-K244 WeakPolarHBondContact O-CE 3.31Å; T81-K244 PolarHBondContact O-NZ 3.34Å; T81-K244 VanDerWaalsContact O-NZ 3.15Å; T81-K244 PolarHBondContact OG1-NZ 2.63Å
82	D	87.5	Confident	94	Very high	74 Å²	74	42.3 Å²	42.3	40%	0.396	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	4.7	-179.8	70.4	-38.7	0	0	0	112.6	G77 K78 M79 H80	G77-D82 WeakPolarHBondContact CA-OD2 3.5Å; K78-D82 PolarHBondContact N-OD1 3.41Å; K78-D82 VanDerWaalsContact N-OD1 3.12Å; K78-D82 PolarHBondContact N-OD2 2.84Å; M79-D82 WeakPolarHBondContact CA-OD1 3.34Å; M79-D82 PolarHBondContact N-OD1 3.34Å; H80-D82 PolarHBondContact O-N 3.48Å
83	R	93.2	Very high	93.9	Very high	18 Å²	18	39.7 Å²	39.7	7%	0.068	20%	0.204	C	C	.	.			trans	-86	130.2	-175.1	-175.9	175.2	-49.5	137.7	1.6	111.7	C75 T76 K78 M79 H80 L122 L123	C75-R83 HydrophobicContact CB-CG 3.79Å; T76-R83 WeakPolarHBondContact O-CA 3.48Å; T76-R83 WeakPolarHBondContact O-CG 3.34Å; K78-R83 PolarHBondContact O-NH2 2.88Å; K78-R83 VanDerWaalsContact O-NH2 3.09Å; M79-R83 WeakPolarHBondContact O-CB 3.43Å; M79-R83 PolarHBondContact O-N 3.27Å; H80-R83 PolarHBondContact O-N 3.24Å; R83-L122 VanDerWaalsContact CD-O 3.27Å; R83-L122 WeakPolarHBondContact CD-O 3.33Å; R83-L122 PolarHBondContact NH1-O 3.14Å; R83-L123 HydrophobicContact CB-CB 4.07Å; R83-L123 HydrophobicContact CG-CB 4.31Å; R83-L123 WeakPolarHBondContact O-CB 3.48Å
84	I	95.8	Very high	93.8	Very high	7 Å²	7	39.9 Å²	39.9	4%	0.036	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	130.8	170.8	-57.9	175.3	0	0	0	106.3	C75 T76 T184 Y188	C75-I84 CarbonylContact C-O 3.58Å; C75-I84 VanDerWaalsContact CA-O 3.24Å; C75-I84 WeakPolarHBondContact CA-O 3.39Å; T76-I84 PolarHBondContact N-O 2.93Å; T76-I84 PolarHBondContact O-N 3.15Å; T76-I84 PolarHBondContact OG1-O 2.65Å; I84-T184 HydrophobicContact CD1-CG2 4.08Å; I84-Y188 HydrophobicContact CD1-CE2 4.39Å; I84-Y188 HydrophobicContact CG2-CE2 4.2Å
85	C	97.8	Very high	93.6	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	127.2	-176.8	-66.1	0	0	0	0	110.5	M73 C75 F87 L123 Y239 V240	M73-C85 HydrophobicContact CG-CB 4.19Å; M73-C85 HydrophobicContact SD-CB 4.46Å; C75-C85 HydrophobicContact CB-CB 4.04Å; C75-C85 WeakPolarHBondContact CB-SG 3.38Å; C75-C85 WeakPolarHBondContact SG-CB 3.43Å; C75-C85 CovalentContact SG-SG 2.03Å; C75-C85 PolarHBondContact SG-SG 3.12Å; C85-F87 HydrophobicContact CB-CD2 4.09Å; C85-F87 HydrophobicContact CB-CE2 3.36Å; C85-F87 HydrophobicContact CB-CZ 3.94Å; C85-L123 HydrophobicContact CB-CD2 3.81Å; C85-L123 VanDerWaalsContact SG-CD2 3.56Å; C85-Y239 CarbonylContact O-C 3.59Å; C85-Y239 WeakPolarHBondContact O-CA 3.04Å; C85-V240 PolarHBondContact N-O 3.45Å; C85-V240 VanDerWaalsContact N-O 3.07Å; C85-V240 PolarHBondContact O-N 2.81Å
86	R	97.9	Very high	93.5	Very high	92 Å²	92	45 Å²	45	35%	0.347	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	131.9	166.3	-171	-178.2	74.1	-168.7	0.8	109	M73 V74 S238 Y239	M73-R86 CarbonylContact C-O 3.46Å; M73-R86 VanDerWaalsContact CA-O 3.32Å; M73-R86 WeakPolarHBondContact CA-O 3.44Å; V74-R86 PolarHBondContact N-O 3.31Å; V74-R86 PolarHBondContact O-N 3.46Å; R86-S238 CarbonylContact C-O 3.52Å; R86-S238 WeakPolarHBondContact CA-O 3.38Å; R86-Y239 HydrophobicContact CB-CD1 3.98Å; R86-Y239 HydrophobicContact CB-CE1 3.77Å; R86-Y239 WeakPolarHBondContact CD-OH 3.26Å; R86-Y239 HydrophobicContact CG-CD1 4.18Å; R86-Y239 HydrophobicContact CG-CE1 3.79Å; R86-Y239 HydrophobicContact CG-CE2 4.28Å
87	F	98.4	Very high	93.7	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	143.2	173.7	-61.7	-104.9	0	0	0	111.3	T71 R72 M73 C85 L90 F101 L122 F136 F138 K237 S238 V240	T71-F87 HydrophobicContact CG2-CD1 4.03Å; R72-F87 CarbonylContact O-C 3.39Å; R72-F87 WeakPolarHBondContact O-CA 3.44Å; M73-F87 HydrophobicContact CB-CD1 3.7Å; M73-F87 HydrophobicContact CB-CE1 3.65Å; M73-F87 HydrophobicContact CB-CG 4.42Å; M73-F87 HydrophobicContact CB-CZ 4.33Å; M73-F87 HydrophobicContact CG-CD1 3.8Å; M73-F87 HydrophobicContact CG-CD2 4.46Å; M73-F87 HydrophobicContact CG-CE1 3.39Å; M73-F87 HydrophobicContact CG-CE2 4.12Å; M73-F87 HydrophobicContact CG-CG 4.32Å; M73-F87 HydrophobicContact CG-CZ 3.56Å; M73-F87 HydrophobicContact SD-CD1 4.35Å; M73-F87 HydrophobicContact SD-CE1 3.36Å; M73-F87 WeakPolarHBondContact SD-CE1 3.3Å; M73-F87 HydrophobicContact SD-CE2 4.31Å; M73-F87 HydrophobicContact SD-CZ 3.34Å; M73-F87 WeakPolarHBondContact SD-CZ 3.3Å; C85-F87 HydrophobicContact CB-CD2 4.09Å; C85-F87 HydrophobicContact CB-CE2 3.36Å; C85-F87 HydrophobicContact CB-CZ 3.94Å; F87-L90 HydrophobicContact CB-CB 3.67Å; F87-L90 HydrophobicContact CB-CD2 4.38Å; F87-L90 HydrophobicContact CD1-CB 4.26Å; F87-L90 HydrophobicContact CD1-CD1 3.99Å; F87-L90 HydrophobicContact CD1-CD2 4.35Å; F87-L90 HydrophobicContact CD1-CG 4.44Å; F87-L90 HydrophobicContact CD2-CD2 4.04Å; F87-L90 HydrophobicContact CE1-CD1 4.21Å; F87-L90 HydrophobicContact CE2-CD2 4.38Å; F87-L90 HydrophobicContact CG-CB 4.05Å; F87-L90 HydrophobicContact CG-CD1 4.44Å; F87-L90 HydrophobicContact CG-CD2 4.03Å; F87-L90 HydrophobicContact CG-CG 4.4Å; F87-F101 HydrophobicContact CD1-CD2 4.32Å; F87-F101 HydrophobicContact CE1-CD2 4.22Å; F87-L122 HydrophobicContact CZ-CD2 4.4Å; F87-F136 HydrophobicContact CE2-CE1 4.08Å; F87-F136 HydrophobicContact CE2-CZ 4.42Å; F87-F136 AromaticContact CZ-CE1 3.83Å; F87-F136 HydrophobicContact CZ-CE1 3.83Å; F87-F136 HydrophobicContact CZ-CZ 4.31Å; F87-F138 AromaticContact CE1-CD1 3.95Å; F87-F138 HydrophobicContact CE1-CD1 3.95Å; F87-F138 AromaticContact CE1-CE1 3.64Å; F87-F138 HydrophobicContact CE1-CE1 3.64Å; F87-F138 HydrophobicContact CE1-CZ 4.43Å; F87-F138 HydrophobicContact CZ-CD1 4.04Å; F87-F138 AromaticContact CZ-CE1 3.79Å; F87-F138 HydrophobicContact CZ-CE1 3.79Å; F87-K237 WeakPolarHBondContact O-CA 3.42Å; F87-S238 PolarHBondContact N-O 3.05Å; F87-S238 PolarHBondContact O-N 3.36Å; F87-V240 HydrophobicContact CD2-CB 4.41Å; F87-V240 HydrophobicContact CD2-CG2 3.6Å; F87-V240 HydrophobicContact CE2-CB 4.07Å; F87-V240 HydrophobicContact CE2-CG2 3.64Å
88	D	97.8	Very high	94.1	Very high	41 Å²	41	48.8 Å²	48.8	22%	0.219	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	129.8	161.2	-55.8	-36.4	0	0	0	107.8	T71 R72 L90 T236	T71-D88 VanDerWaalsContact CA-O 3.3Å; T71-D88 WeakPolarHBondContact CA-O 3.24Å; T71-D88 VanDerWaalsContact CG2-O 3.32Å; T71-D88 WeakPolarHBondContact CG2-O 3.39Å; R72-D88 HydrophobicContact CB-CB 4.25Å; R72-D88 PolarHBondContact N-O 3.25Å; R72-D88 VanDerWaalsContact N-O 3.09Å; R72-D88 PolarHBondContact O-N 2.87Å; D88-L90 PolarHBondContact O-N 2.81Å; D88-T236 WeakPolarHBondContact CA-O 3.29Å
89	Y	97.6	Very high	94.8	Very high	49 Å²	49	40.6 Å²	40.6	19%	0.192	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	54.8	47.6	-179.6	-58.4	-80.9	0	0	0	114.5	A62 A65 L66 T71 F154 F235 T236	A62-Y89 HydrophobicContact CB-CE1 4.22Å; A65-Y89 HydrophobicContact CB-CE1 4.43Å; A65-Y89 HydrophobicContact CB-CE2 3.87Å; A65-Y89 WeakPolarHBondContact CB-OH 3.26Å; L66-Y89 HydrophobicContact CB-CD1 4.18Å; L66-Y89 HydrophobicContact CB-CG 4.36Å; T71-Y89 PolarHBondContact OG1-O 2.93Å; Y89-F154 HydrophobicContact CD1-CD1 4.28Å; Y89-F154 AromaticContact CD1-CE1 3.92Å; Y89-F154 HydrophobicContact CD1-CE1 3.92Å; Y89-F154 HydrophobicContact CE1-CD1 4.37Å; Y89-F154 HydrophobicContact CE1-CE1 4.14Å; Y89-F235 CarbonylContact C-O 3.53Å; Y89-F235 WeakPolarHBondContact CA-O 3.42Å; Y89-F235 PolarHBondContact N-O 3.08Å; Y89-F235 VanDerWaalsContact N-O 3.17Å; Y89-T236 HydrophobicContact CD1-CG2 4.42Å; Y89-T236 HydrophobicContact CE1-CG2 3.98Å; Y89-T236 PolarHBondContact N-O 3.2Å
90	L	98.6	Very high	95.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	130.2	168	178.3	65.1	0	0	0	109	T71 F87 D88 F99 F136 I161 C234 F235 V240	T71-L90 HydrophobicContact CG2-CB 4.49Å; F87-L90 HydrophobicContact CB-CB 3.67Å; F87-L90 HydrophobicContact CB-CD2 4.38Å; F87-L90 HydrophobicContact CD1-CB 4.26Å; F87-L90 HydrophobicContact CD1-CD1 3.99Å; F87-L90 HydrophobicContact CD1-CD2 4.35Å; F87-L90 HydrophobicContact CD1-CG 4.44Å; F87-L90 HydrophobicContact CD2-CD2 4.04Å; F87-L90 HydrophobicContact CE1-CD1 4.21Å; F87-L90 HydrophobicContact CE2-CD2 4.38Å; F87-L90 HydrophobicContact CG-CB 4.05Å; F87-L90 HydrophobicContact CG-CD1 4.44Å; F87-L90 HydrophobicContact CG-CD2 4.03Å; F87-L90 HydrophobicContact CG-CG 4.4Å; D88-L90 PolarHBondContact O-N 2.81Å; L90-F99 HydrophobicContact CD1-CB 4.31Å; L90-F99 HydrophobicContact CD1-CD1 4.24Å; L90-F99 HydrophobicContact CD2-CD1 3.74Å; L90-F99 HydrophobicContact CD2-CE1 4.04Å; L90-F99 HydrophobicContact CG-CD1 3.83Å; L90-F99 HydrophobicContact CG-CE1 4.44Å; L90-F136 HydrophobicContact CD2-CZ 4.06Å; L90-I161 HydrophobicContact CD2-CD1 4.35Å; L90-C234 CarbonylContact O-C 3.55Å; L90-F235 PolarHBondContact N-O 2.73Å; L90-F235 WeakPolarHBondContact O-CD2 3.47Å; L90-F235 PolarHBondContact O-N 2.99Å; L90-V240 HydrophobicContact CD2-CG2 3.96Å
91	C	98.4	Very high	95.7	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	157.5	179.4	-58.4	0	0	0	0	112.4	F99 V100 F102 L232 M233 C234	C91-F99 CarbonylContact O-C 3.54Å; C91-F99 VanDerWaalsContact O-CA 3.27Å; C91-F99 WeakPolarHBondContact O-CA 3.42Å; C91-F99 WeakPolarHBondContact O-CD1 2.94Å; C91-V100 HydrophobicContact CB-CB 4.38Å; C91-V100 PolarHBondContact N-O 2.82Å; C91-V100 PolarHBondContact O-N 2.93Å; C91-F102 HydrophobicContact CB-CD2 4.45Å; C91-F102 HydrophobicContact CB-CE2 3.9Å; C91-L232 HydrophobicContact CB-CD1 3.85Å; C91-M233 CarbonylContact C-O 3.51Å; C91-M233 WeakPolarHBondContact CA-O 3.34Å; C91-M233 WeakPolarHBondContact CB-O 3.21Å; C91-C234 HydrophobicContact CB-CB 4.16Å; C91-C234 WeakPolarHBondContact CB-SG 3.44Å; C91-C234 WeakPolarHBondContact SG-CB 3.38Å; C91-C234 CovalentContact SG-SG 2.05Å; C91-C234 PolarHBondContact SG-SG 2.95Å
92	Y	98.2	Very high	96.1	Very high	5 Å²	5	32.8 Å²	32.8	2%	0.02	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	119.9	177	-178.9	-108.2	0	0	0	109.1	T94 E97 F99 M200 K223 L226 M233	Y92-T94 HydrophobicContact CD1-CG2 3.91Å; Y92-T94 HydrophobicContact CE1-CG2 4.01Å; Y92-E97 VanDerWaalsContact CE2-C 3.43Å; Y92-E97 WeakPolarHBondContact CE2-O 3.48Å; Y92-E97 VanDerWaalsContact OH-CA 3.25Å; Y92-E97 WeakPolarHBondContact OH-CA 3.5Å; Y92-E97 WeakPolarHBondContact OH-CB 3.39Å; Y92-F99 HydrophobicContact CD2-CD1 4.02Å; Y92-F99 AromaticContact CD2-CD2 3.95Å; Y92-F99 HydrophobicContact CD2-CD2 3.95Å; Y92-F99 HydrophobicContact CD2-CE1 4.05Å; Y92-F99 AromaticContact CD2-CE2 3.98Å; Y92-F99 HydrophobicContact CD2-CE2 3.98Å; Y92-F99 AromaticContact CD2-CG 4Å; Y92-F99 HydrophobicContact CD2-CG 4Å; Y92-F99 HydrophobicContact CD2-CZ 4.03Å; Y92-F99 HydrophobicContact CE2-CD2 4.38Å; Y92-F99 HydrophobicContact CE2-CE2 4.31Å; Y92-F99 HydrophobicContact CG-CD1 4.5Å; Y92-F99 HydrophobicContact CG-CE1 4.35Å; Y92-M200 HydrophobicContact CD1-CE 4.2Å; Y92-M200 HydrophobicContact CD2-CE 3.79Å; Y92-M200 HydrophobicContact CE1-CE 3.89Å; Y92-M200 HydrophobicContact CE2-CE 3.47Å; Y92-M200 VanDerWaalsContact CE2-CE 3.47Å; Y92-M200 HydrophobicContact CG-CE 4.15Å; Y92-K223 WeakPolarHBondContact OH-CE 3.42Å; Y92-L226 HydrophobicContact CD1-CD1 3.75Å; Y92-L226 HydrophobicContact CE1-CD1 4.05Å; Y92-M233 PolarHBondContact N-O 3.12Å; Y92-M233 PolarHBondContact O-N 2.95Å
93	C	97.1	Very high	96.5	Very high	17 Å²	17	32.2 Å²	32.2	12%	0.115	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	111.5	174.5	-178.3	0	0	0	0	108.6	E95 A96 E97 E98 V100	C93-E95 VanDerWaalsContact C-N 3.27Å; C93-E95 PolarHBondContact O-N 2.95Å; C93-A96 HydrophobicContact CB-CB 4.07Å; C93-A96 PolarHBondContact O-N 2.83Å; C93-E97 VanDerWaalsContact O-CA 3.29Å; C93-E97 WeakPolarHBondContact O-CA 3.44Å; C93-E97 PolarHBondContact O-N 3.49Å; C93-E98 PolarHBondContact N-O 3.02Å; C93-E98 PolarHBondContact O-N 3.16Å; C93-V100 HydrophobicContact CB-CG2 4.33Å
94	T	94.4	Very high	96.6	Very high	8 Å²	8	32.6 Å²	32.6	5%	0.049	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-21.4	-175	66.4	0	0	0	0	112.8	Y92 L226 G230 K231 M233	Y92-T94 HydrophobicContact CD1-CG2 3.91Å; Y92-T94 HydrophobicContact CE1-CG2 4.01Å; T94-L226 HydrophobicContact CG2-CB 4Å; T94-G230 WeakPolarHBondContact CG2-O 3.26Å; T94-G230 PolarHBondContact OG1-O 3.3Å; T94-K231 PolarHBondContact N-O 3.42Å; T94-K231 WeakPolarHBondContact OG1-CA 3.29Å; T94-K231 PolarHBondContact OG1-O 3.26Å; T94-M233 HydrophobicContact CG2-CG 4.2Å
95	E	91.8	Very high	96.3	Very high	121 Å²	121	40.7 Å²	40.7	57%	0.565	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-39.3	176.3	-68.2	-176	153.1	0	0	112.1	C93 K231	C93-E95 VanDerWaalsContact C-N 3.27Å; C93-E95 PolarHBondContact O-N 2.95Å; E95-K231 HydrophobicContact CG-CD 4.46Å; E95-K231 HydrophobicContact CG-CG 4.44Å; E95-K231 VanDerWaalsContact OE1-CD 3.27Å; E95-K231 WeakPolarHBondContact OE1-CD 3.5Å; E95-K231 WeakPolarHBondContact OE1-CE 3.48Å; E95-K231 IonicContact OE1-NZ 3.82Å; E95-K231 PolarHBondContact OE1-NZ 2.72Å
96	A	93.3	Very high	96.1	Very high	52 Å²	52	43.2 Å²	43.2	43%	0.43	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-15.8	176.2	0	0	0	0	0	112.6	C93 E98	C93-A96 HydrophobicContact CB-CB 4.07Å; C93-A96 PolarHBondContact O-N 2.83Å; A96-E98 HydrophobicContact CB-CB 4.45Å; A96-E98 PolarHBondContact O-N 3.39Å
97	E	94.6	Very high	95.8	Very high	86 Å²	86	39.9 Å²	39.9	40%	0.402	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	29.5	-171	-57.7	-170.1	-173	0	0	114.7	Y92 C93 K223 R227	Y92-E97 VanDerWaalsContact CE2-C 3.43Å; Y92-E97 WeakPolarHBondContact CE2-O 3.48Å; Y92-E97 VanDerWaalsContact OH-CA 3.25Å; Y92-E97 WeakPolarHBondContact OH-CA 3.5Å; Y92-E97 WeakPolarHBondContact OH-CB 3.39Å; C93-E97 VanDerWaalsContact O-CA 3.29Å; C93-E97 WeakPolarHBondContact O-CA 3.44Å; C93-E97 PolarHBondContact O-N 3.49Å; E97-K223 WeakPolarHBondContact OE2-CE 3.4Å; E97-K223 IonicContact OE2-NZ 2.74Å; E97-K223 PolarHBondContact OE2-NZ 2.64Å; E97-R227 IonicContact OE1-CZ 2.73Å; E97-R227 IonicContact OE1-NH1 2.71Å; E97-R227 PolarHBondContact OE1-NH1 3.15Å; E97-R227 IonicContact OE1-NH2 3.79Å; E97-R227 PolarHBondContact OE1-NH2 2.82Å
98	E	95.5	Very high	95.5	Very high	102 Å²	102	43.8 Å²	43.8	48%	0.477	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	144.4	-176	-68	-175.5	117.4	0	0	112.7	C93 A96 L139	C93-E98 PolarHBondContact N-O 3.02Å; C93-E98 PolarHBondContact O-N 3.16Å; A96-E98 HydrophobicContact CB-CB 4.45Å; A96-E98 PolarHBondContact O-N 3.39Å; E98-L139 HydrophobicContact CB-CD2 3.67Å; E98-L139 HydrophobicContact CG-CD2 4.41Å; E98-L139 VanDerWaalsContact OE2-CD2 3.27Å; E98-L139 WeakPolarHBondContact OE2-CD2 3.39Å
99	F	98.1	Very high	95.2	Very high	15 Å²	15	43.3 Å²	43.3	7%	0.066	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	142.1	167.2	-75.1	-82.4	0	0	0	111	L90 C91 Y92 F136 F138 L139 I161 M200 F235	L90-F99 HydrophobicContact CD1-CB 4.31Å; L90-F99 HydrophobicContact CD1-CD1 4.24Å; L90-F99 HydrophobicContact CD2-CD1 3.74Å; L90-F99 HydrophobicContact CD2-CE1 4.04Å; L90-F99 HydrophobicContact CG-CD1 3.83Å; L90-F99 HydrophobicContact CG-CE1 4.44Å; C91-F99 CarbonylContact O-C 3.54Å; C91-F99 VanDerWaalsContact O-CA 3.27Å; C91-F99 WeakPolarHBondContact O-CA 3.42Å; C91-F99 WeakPolarHBondContact O-CD1 2.94Å; Y92-F99 HydrophobicContact CD2-CD1 4.02Å; Y92-F99 AromaticContact CD2-CD2 3.95Å; Y92-F99 HydrophobicContact CD2-CD2 3.95Å; Y92-F99 HydrophobicContact CD2-CE1 4.05Å; Y92-F99 AromaticContact CD2-CE2 3.98Å; Y92-F99 HydrophobicContact CD2-CE2 3.98Å; Y92-F99 AromaticContact CD2-CG 4Å; Y92-F99 HydrophobicContact CD2-CG 4Å; Y92-F99 HydrophobicContact CD2-CZ 4.03Å; Y92-F99 HydrophobicContact CE2-CD2 4.38Å; Y92-F99 HydrophobicContact CE2-CE2 4.31Å; Y92-F99 HydrophobicContact CG-CD1 4.5Å; Y92-F99 HydrophobicContact CG-CE1 4.35Å; F99-F136 HydrophobicContact CB-CE2 4.24Å; F99-F136 HydrophobicContact CB-CZ 4.36Å; F99-F136 HydrophobicContact CD1-CE2 4.3Å; F99-F136 HydrophobicContact CD2-CD2 4.12Å; F99-F136 AromaticContact CD2-CE2 3.42Å; F99-F136 HydrophobicContact CD2-CE2 3.42Å; F99-F136 VanDerWaalsContact CD2-CE2 3.42Å; F99-F136 HydrophobicContact CD2-CZ 4.31Å; F99-F136 HydrophobicContact CE2-CD2 4.26Å; F99-F136 AromaticContact CE2-CE2 3.71Å; F99-F136 HydrophobicContact CE2-CE2 3.71Å; F99-F136 AromaticContact CG-CE2 3.73Å; F99-F136 HydrophobicContact CG-CE2 3.73Å; F99-F136 HydrophobicContact CG-CZ 4.2Å; F99-F136 HydrophobicContact CZ-CE2 4.26Å; F99-F138 HydrophobicContact CB-CB 3.83Å; F99-F138 CarbonylContact O-C 3.46Å; F99-F138 VanDerWaalsContact O-CA 3.29Å; F99-F138 WeakPolarHBondContact O-CA 3.47Å; F99-F138 WeakPolarHBondContact O-CB 3.48Å; F99-L139 WeakPolarHBondContact O-CG 3.43Å; F99-L139 PolarHBondContact O-N 2.98Å; F99-I161 HydrophobicContact CE1-CD1 4.09Å; F99-I161 HydrophobicContact CZ-CD1 4.4Å; F99-I161 HydrophobicContact CZ-CG2 3.97Å; F99-M200 HydrophobicContact CE2-CE 3.78Å; F99-M200 HydrophobicContact CE2-CG 4.2Å; F99-M200 HydrophobicContact CZ-CE 3.65Å; F99-M200 HydrophobicContact CZ-CG 3.89Å; F99-M200 HydrophobicContact CZ-SD 3.96Å; F99-F235 HydrophobicContact CE1-CE2 4.15Å
100	V	97.9	Very high	94.7	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.006	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	124.6	-175.5	-174.6	0	0	0	0	109.9	C91 C93 F102 L139 L141	C91-V100 HydrophobicContact CB-CB 4.38Å; C91-V100 PolarHBondContact N-O 2.82Å; C91-V100 PolarHBondContact O-N 2.93Å; C93-V100 HydrophobicContact CB-CG2 4.33Å; V100-F102 HydrophobicContact CB-CE2 4.16Å; V100-F102 HydrophobicContact CB-CZ 4.41Å; V100-F102 HydrophobicContact CG1-CD1 4.26Å; V100-F102 HydrophobicContact CG1-CD2 4Å; V100-F102 HydrophobicContact CG1-CE1 3.89Å; V100-F102 HydrophobicContact CG1-CE2 3.61Å; V100-F102 HydrophobicContact CG1-CG 4.33Å; V100-F102 HydrophobicContact CG1-CZ 3.55Å; V100-L139 WeakPolarHBondContact CA-O 3.49Å; V100-L139 HydrophobicContact CB-CD1 4.18Å; V100-L139 HydrophobicContact CB-CG 4.33Å; V100-L139 HydrophobicContact CG1-CD1 3.73Å; V100-L139 HydrophobicContact CG1-CG 4.4Å; V100-L139 HydrophobicContact CG2-CD1 3.9Å; V100-L139 HydrophobicContact CG2-CD2 3.97Å; V100-L139 HydrophobicContact CG2-CG 3.89Å; V100-L141 HydrophobicContact CG1-CB 4.29Å; V100-L141 HydrophobicContact CG1-CD1 3.92Å; V100-L141 HydrophobicContact CG1-CG 4.24Å
101	F	97.8	Very high	94.2	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	120.1	168.3	-173.6	-75.4	0	0	0	109.4	T71 M73 F87 H103 M109 F138 L139 E140 L141	T71-F101 HydrophobicContact CG2-CD2 3.34Å; T71-F101 HydrophobicContact CG2-CE2 3.52Å; T71-F101 HydrophobicContact CG2-CG 3.97Å; T71-F101 HydrophobicContact CG2-CZ 4.3Å; T71-F101 WeakPolarHBondContact O-CZ 3.3Å; M73-F101 HydrophobicContact CB-CE2 3.87Å; F87-F101 HydrophobicContact CD1-CD2 4.32Å; F87-F101 HydrophobicContact CE1-CD2 4.22Å; F101-H103 AromaticContact CD1-CD2 3.95Å; F101-H103 AromaticContact CD1-CE1 3.81Å; F101-H103 AromaticContact CD1-NE2 3.65Å; F101-H103 AromaticContact CE1-CE1 3.6Å; F101-H103 AromaticContact CE1-ND1 3.77Å; F101-H103 AromaticContact CE1-NE2 3.94Å; F101-M109 HydrophobicContact CE1-CG 4.33Å; F101-M109 HydrophobicContact CE2-CG 3.77Å; F101-M109 HydrophobicContact CE2-SD 4.42Å; F101-M109 HydrophobicContact CZ-CG 3.65Å; F101-M109 HydrophobicContact CZ-SD 4.4Å; F101-F138 HydrophobicContact CB-CD2 3.33Å; F101-F138 HydrophobicContact CB-CE2 3.52Å; F101-F138 HydrophobicContact CB-CG 4.04Å; F101-F138 HydrophobicContact CB-CZ 4.34Å; F101-F138 HydrophobicContact CD2-CD2 4.5Å; F101-F138 HydrophobicContact CD2-CE2 4.01Å; F101-F138 HydrophobicContact CD2-CZ 4.05Å; F101-F138 HydrophobicContact CG-CD2 4.17Å; F101-F138 AromaticContact CG-CE2 3.84Å; F101-F138 HydrophobicContact CG-CE2 3.84Å; F101-F138 HydrophobicContact CG-CZ 4.35Å; F101-L139 PolarHBondContact N-O 3.03Å; F101-E140 HydrophobicContact CB-CG 4.39Å; F101-E140 WeakPolarHBondContact O-CA 3.45Å; F101-L141 PolarHBondContact O-N 3.38Å
102	F	97.5	Very high	93.7	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	124.5	179.7	-73.1	-74.6	0	0	0	112.1	L66 G70 T71 C91 V100 L141 A143 L146 M149	L66-F102 HydrophobicContact CD1-CB 4.09Å; L66-F102 HydrophobicContact CD1-CD2 3.84Å; L66-F102 HydrophobicContact CD1-CG 4.28Å; G70-F102 CarbonylContact C-O 3.48Å; G70-F102 VanDerWaalsContact CA-O 3.27Å; G70-F102 WeakPolarHBondContact CA-O 3.35Å; T71-F102 PolarHBondContact N-O 2.97Å; T71-F102 PolarHBondContact OG1-N 3.49Å; C91-F102 HydrophobicContact CB-CD2 4.45Å; C91-F102 HydrophobicContact CB-CE2 3.9Å; V100-F102 HydrophobicContact CB-CE2 4.16Å; V100-F102 HydrophobicContact CB-CZ 4.41Å; V100-F102 HydrophobicContact CG1-CD1 4.26Å; V100-F102 HydrophobicContact CG1-CD2 4Å; V100-F102 HydrophobicContact CG1-CE1 3.89Å; V100-F102 HydrophobicContact CG1-CE2 3.61Å; V100-F102 HydrophobicContact CG1-CG 4.33Å; V100-F102 HydrophobicContact CG1-CZ 3.55Å; F102-L141 CarbonylContact C-O 3.36Å; F102-L141 VanDerWaalsContact CA-O 3.25Å; F102-L141 WeakPolarHBondContact CA-O 3.45Å; F102-L141 HydrophobicContact CD1-CB 3.99Å; F102-L141 HydrophobicContact CE1-CB 3.96Å; F102-L141 HydrophobicContact CE1-CD1 4.21Å; F102-A143 HydrophobicContact CB-CB 4.34Å; F102-L146 HydrophobicContact CD1-CD2 4.39Å; F102-L146 HydrophobicContact CD1-CG 4.13Å; F102-L146 HydrophobicContact CD2-CD2 4.3Å; F102-L146 HydrophobicContact CE1-CD2 3.84Å; F102-L146 HydrophobicContact CE1-CG 3.87Å; F102-L146 HydrophobicContact CE2-CD2 3.73Å; F102-L146 HydrophobicContact CE2-CG 4.46Å; F102-L146 HydrophobicContact CZ-CD2 3.46Å; F102-L146 VanDerWaalsContact CZ-CD2 3.46Å; F102-L146 HydrophobicContact CZ-CG 4.04Å; F102-M149 HydrophobicContact CZ-CE 4.33Å
103	H	95.8	Very high	92.9	Very high	63 Å²	63	54.4 Å²	54.4	29%	0.292	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	131.4	178.5	-74.8	-81	0	0	0	112.7	F101 S107 E140 L141 A143	F101-H103 AromaticContact CD1-CD2 3.95Å; F101-H103 AromaticContact CD1-CE1 3.81Å; F101-H103 AromaticContact CD1-NE2 3.65Å; F101-H103 AromaticContact CE1-CE1 3.6Å; F101-H103 AromaticContact CE1-ND1 3.77Å; F101-H103 AromaticContact CE1-NE2 3.94Å; H103-S107 WeakPolarHBondContact CA-OG 3.41Å; H103-E140 IonicContact CD2-OE2 3.86Å; H103-E140 IonicContact CE1-OE2 3.26Å; H103-E140 PolarHBondContact CE1-OE2 3.44Å; H103-E140 VanDerWaalsContact CE1-OE2 3.26Å; H103-E140 IonicContact NE2-OE2 2.66Å; H103-E140 PolarHBondContact NE2-OE2 2.88Å; H103-L141 PolarHBondContact N-O 3.45Å; H103-A143 VanDerWaalsContact O-CB 3.32Å; H103-A143 WeakPolarHBondContact O-CB 3.5Å; H103-A143 PolarHBondContact O-N 2.86Å
104	S	94.5	Very high	92.4	Very high	26 Å²	26	55 Å²	55	18%	0.182	30%	0.301	C	S	.	.			trans	-134	-178.9	169.4	82	0	0	0	0	109.7	E68 H69 G70 S106 S107	E68-S104 WeakPolarHBondContact O-CB 3.44Å; E68-S104 PolarHBondContact O-OG 3.34Å; H69-S104 WeakPolarHBondContact CA-OG 3.48Å; H69-S104 PolarHBondContact O-OG 2.95Å; G70-S104 PolarHBondContact N-OG 3.41Å; S104-S106 PolarHBondContact O-N 3.17Å; S104-S106 PolarHBondContact OG-N 3.47Å; S104-S107 PolarHBondContact N-OG 3.01Å; S104-S107 PolarHBondContact O-N 3Å; S104-S107 PolarHBondContact O-OG 3.27Å; S104-S107 PolarHBondContact OG-N 2.91Å; S104-S107 VanDerWaalsContact OG-N 3.14Å
105	N	90.1	Very high	92.1	Very high	176 Å²	176	59.4 Å²	59.4	94%	0.941	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-13.5	172.7	-66.3	-17.2	0	0	0	113.4
106	S	92	Very high	91.8	Very high	54 Å²	54	61.3 Å²	61.3	38%	0.378	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.7	2.8	179.8	-56.2	0	0	0	0	113.9	H69 R72 S104	H69-S106 CarbonylContact O-C 3.55Å; R72-S106 PolarHBondContact NE-O 3.43Å; S104-S106 PolarHBondContact O-N 3.17Å; S104-S106 PolarHBondContact OG-N 3.47Å
107	S	92.7	Very high	91.6	Very high	21 Å²	21	59.8 Å²	59.8	15%	0.147	32%	0.316	C	S	.	.			trans	-75.1	145.6	172.5	56.3	0	0	0	0	110.1	H69 T71 H103 S104	H69-S107 WeakPolarHBondContact O-CA 3.35Å; H69-S107 PolarHBondContact O-N 3.36Å; T71-S107 WeakPolarHBondContact O-CA 3.3Å; T71-S107 WeakPolarHBondContact O-CB 3.38Å; H103-S107 WeakPolarHBondContact CA-OG 3.41Å; S104-S107 PolarHBondContact N-OG 3.01Å; S104-S107 PolarHBondContact O-N 3Å; S104-S107 PolarHBondContact O-OG 3.27Å; S104-S107 PolarHBondContact OG-N 2.91Å; S104-S107 VanDerWaalsContact OG-N 3.14Å
108	F	91.8	Very high	91.4	Very high	82 Å²	82	61 Å²	61	36%	0.36	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	158.3	175.3	60.6	-99.5	0	0	0	111.8	R72 M73 V74 L110	R72-F108 HydrophobicContact CB-CD1 4.41Å; R72-F108 HydrophobicContact CB-CE1 4.01Å; R72-F108 HydrophobicContact CB-CE2 4.22Å; R72-F108 HydrophobicContact CB-CZ 3.91Å; R72-F108 VanDerWaalsContact CD-CE1 3.49Å; R72-F108 HydrophobicContact CG-CD1 3.94Å; R72-F108 HydrophobicContact CG-CE1 3.67Å; R72-F108 HydrophobicContact CG-CZ 4.09Å; M73-F108 PolarHBondContact N-O 2.9Å; V74-F108 HydrophobicContact CG2-CE2 3.69Å; V74-F108 HydrophobicContact CG2-CZ 4.46Å; F108-L110 HydrophobicContact CD2-CD1 3.85Å; F108-L110 HydrophobicContact CD2-CG 3.85Å; F108-L110 HydrophobicContact CE2-CD1 4.01Å; F108-L110 HydrophobicContact CE2-CG 4.4Å
109	M	91.8	Very high	90.9	Very high	32 Å²	32	63.1 Å²	63.1	16%	0.158	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	115.9	175.2	-72.6	-175.6	-74.5	0	0	108.8	M73 F101 P111 N112 F138	M73-M109 HydrophobicContact CB-CG 4.27Å; M73-M109 HydrophobicContact CE-CB 3.67Å; M73-M109 HydrophobicContact CE-CG 3.78Å; M73-M109 HydrophobicContact CE-SD 4.22Å; F101-M109 HydrophobicContact CE1-CG 4.33Å; F101-M109 HydrophobicContact CE2-CG 3.77Å; F101-M109 HydrophobicContact CE2-SD 4.42Å; F101-M109 HydrophobicContact CZ-CG 3.65Å; F101-M109 HydrophobicContact CZ-SD 4.4Å; M109-P111 CarbonylContact O-C 3.53Å; M109-N112 PolarHBondContact O-N 3.46Å; M109-N112 VanDerWaalsContact O-N 3.15Å; M109-F138 HydrophobicContact SD-CE2 4.05Å; M109-F138 HydrophobicContact SD-CZ 3.73Å
110	L	87.9	Confident	90.4	Very high	95 Å²	95	65 Å²	65	50%	0.497	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	122.7	-179	-66.4	175.9	0	0	0	110.8	M73 V74 C75 F108	M73-L110 PolarHBondContact O-N 3.29Å; V74-L110 CarbonylContact C-O 3.58Å; V74-L110 VanDerWaalsContact CA-O 3.32Å; V74-L110 WeakPolarHBondContact CA-O 3.31Å; C75-L110 PolarHBondContact N-O 2.94Å; F108-L110 HydrophobicContact CD2-CD1 3.85Å; F108-L110 HydrophobicContact CD2-CG 3.85Å; F108-L110 HydrophobicContact CE2-CD1 4.01Å; F108-L110 HydrophobicContact CE2-CG 4.4Å
111	P	87.3	Confident	90.2	Very high	59 Å²	59	65 Å²	65	38%	0.383	34%	0.344	S	S	.	.	S	Bend	cis	-65.6	150.4	-12.6	30.5	-34.5	0	0	0	111.2	M109 L113	M109-P111 CarbonylContact O-C 3.53Å; P111-L113 HydrophobicContact CB-CD2 4.42Å; P111-L113 HydrophobicContact CG-CD2 3.99Å; P111-L113 HydrophobicContact CG-CG 4.25Å; P111-L113 PolarHBondContact O-N 3.08Å
112	N	86.9	Confident	90	Very high	111 Å²	111	65.1 Å²	65.1	59%	0.594	34%	0.344	S	S	*	.			trans	-77.8	109.2	168.1	-174.4	-3.3	0	0	0	109	M109 G114	M109-N112 PolarHBondContact O-N 3.46Å; M109-N112 VanDerWaalsContact O-N 3.15Å; N112-G114 PolarHBondContact OD1-N 3.15Å
113	L	82.7	Confident	89.8	Confident	22 Å²	22	65.1 Å²	65.1	12%	0.115	34%	0.344	C	S	.	.			trans	-89.5	-16.1	-178	-63.3	172.4	0	0	0	112.9	P111 R116 R117 L122	P111-L113 HydrophobicContact CB-CD2 4.42Å; P111-L113 HydrophobicContact CG-CD2 3.99Å; P111-L113 HydrophobicContact CG-CG 4.25Å; P111-L113 PolarHBondContact O-N 3.08Å; L113-R116 HydrophobicContact CB-CB 4.38Å; L113-R116 VanDerWaalsContact O-CB 3.3Å; L113-R116 WeakPolarHBondContact O-CB 3.26Å; L113-R116 PolarHBondContact O-N 3.08Å; L113-R117 HydrophobicContact CB-CB 4.25Å; L113-L122 HydrophobicContact CD1-CD1 3.62Å
114	G	86.8	Confident	89.8	Confident	28 Å²	28	62.3 Å²	62.3	29%	0.289	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	49.3	-135	-172.3	0	0	0	0	0	111.2	N112 R116 R117	N112-G114 PolarHBondContact OD1-N 3.15Å; G114-R116 PolarHBondContact O-N 2.76Å; G114-R116 VanDerWaalsContact O-N 3.1Å; G114-R117 VanDerWaalsContact O-CG 3.3Å; G114-R117 WeakPolarHBondContact O-CG 3.42Å; G114-R117 PolarHBondContact O-N 3.04Å
115	P	88	Confident	89.9	Confident	101 Å²	101	61.5 Å²	61.5	66%	0.656	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-60.8	-18.7	178.5	-24.7	34.8	0	0	0	115.3	R117 F118	P115-R117 PolarHBondContact O-N 3.15Å; P115-R117 VanDerWaalsContact O-N 3.15Å; P115-F118 WeakPolarHBondContact O-CD2 3.36Å; P115-F118 PolarHBondContact O-N 3.01Å
116	R	85	Confident	90.1	Very high	161 Å²	161	53.1 Å²	53.1	61%	0.608	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-65.2	-16.7	178.3	-63.9	-172.7	-70.6	170	-4.3	112.9	L113 G114 F118 Q119	L113-R116 HydrophobicContact CB-CB 4.38Å; L113-R116 VanDerWaalsContact O-CB 3.3Å; L113-R116 WeakPolarHBondContact O-CB 3.26Å; L113-R116 PolarHBondContact O-N 3.08Å; G114-R116 PolarHBondContact O-N 2.76Å; G114-R116 VanDerWaalsContact O-N 3.1Å; R116-F118 PolarHBondContact O-N 3.12Å; R116-F118 VanDerWaalsContact O-N 3.16Å; R116-Q119 PolarHBondContact O-N 3.41Å
117	R	89.9	Confident	90.2	Very high	21 Å²	21	50.6 Å²	50.6	8%	0.079	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-66.3	-7.3	171.9	80.3	-172.3	-176.8	88.1	-12.6	113.8	L113 G114 P115 A121 L122 N137 F138 E140	L113-R117 HydrophobicContact CB-CB 4.25Å; G114-R117 VanDerWaalsContact O-CG 3.3Å; G114-R117 WeakPolarHBondContact O-CG 3.42Å; G114-R117 PolarHBondContact O-N 3.04Å; P115-R117 PolarHBondContact O-N 3.15Å; P115-R117 VanDerWaalsContact O-N 3.15Å; R117-A121 CarbonylContact O-C 3.51Å; R117-A121 VanDerWaalsContact O-CA 3.24Å; R117-A121 WeakPolarHBondContact O-CA 3.34Å; R117-L122 HydrophobicContact CB-CB 4.34Å; R117-L122 HydrophobicContact CB-CD1 4.08Å; R117-L122 PolarHBondContact O-N 3.37Å; R117-N137 PolarHBondContact NH1-OD1 3.25Å; R117-N137 PolarHBondContact O-OD1 2.88Å; R117-F138 PolarHBondContact NH1-O 2.94Å; R117-F138 PolarHBondContact NH2-O 3.49Å; R117-E140 IonicContact CZ-OE1 3.41Å; R117-E140 IonicContact NE-OE1 3.48Å; R117-E140 PolarHBondContact NE-OE1 3.44Å; R117-E140 IonicContact NH2-OE1 2.67Å; R117-E140 PolarHBondContact NH2-OE1 2.97Å
118	F	89.8	Confident	90	Very high	110 Å²	110	50.1 Å²	50.1	48%	0.482	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-110.2	14.7	175.9	-50.5	-67.9	0	0	0	112.6	P115 R116 P120	P115-F118 WeakPolarHBondContact O-CD2 3.36Å; P115-F118 PolarHBondContact O-N 3.01Å; R116-F118 PolarHBondContact O-N 3.12Å; R116-F118 VanDerWaalsContact O-N 3.16Å; F118-P120 CarbonylContact C-O 3.52Å; F118-P120 VanDerWaalsContact C-O 3.28Å; F118-P120 CarbonylContact O-C 3.57Å
119	Q	85.6	Confident	89.5	Confident	147 Å²	147	50.4 Å²	50.4	69%	0.687	26%	0.261	S	S	*	.	S	Bend	trans	-126.1	83.2	-175.7	-67	-177.4	0.3	0	0	111.5	R116	R116-Q119 PolarHBondContact O-N 3.41Å
120	P	87.6	Confident	88.4	Confident	56 Å²	56	53 Å²	53	36%	0.364	28%	0.276	S	S	.	.	S	Bend	cis	-82.6	-21.6	-8.8	34.3	-34.3	0	0	0	113	H80 F118 Y135	H80-P120 WeakPolarHBondContact ND1-CD 3.43Å; F118-P120 CarbonylContact C-O 3.52Å; F118-P120 VanDerWaalsContact C-O 3.28Å; F118-P120 CarbonylContact O-C 3.57Å; P120-Y135 HydrophobicContact CB-CE2 3.73Å; P120-Y135 HydrophobicContact CG-CE1 4.26Å; P120-Y135 HydrophobicContact CG-CE2 4.15Å; P120-Y135 WeakPolarHBondContact CG-OH 3.46Å
121	A	92	Very high	87.9	Confident	1 Å²	1	50.6 Å²	50.6	1%	0.008	26%	0.262	C	S	.	.			trans	-155.5	175.7	-177.3	0	0	0	0	0	111.7	H80 R117 Y135	H80-A121 WeakPolarHBondContact CB-O 3.46Å; R117-A121 CarbonylContact O-C 3.51Å; R117-A121 VanDerWaalsContact O-CA 3.24Å; R117-A121 WeakPolarHBondContact O-CA 3.34Å; A121-Y135 HydrophobicContact CB-CD1 3.73Å; A121-Y135 HydrophobicContact CB-CD2 3.8Å; A121-Y135 HydrophobicContact CB-CE1 4.37Å; A121-Y135 HydrophobicContact CB-CE2 4.45Å; A121-Y135 HydrophobicContact CB-CG 3.4Å; A121-Y135 VanDerWaalsContact CB-CG 3.4Å
122	L	93.4	Very high	87.3	Confident	1 Å²	1	53.1 Å²	53.1	1%	0.005	27%	0.272	C	S	.	.	S	Bend	trans	-71.7	-49.8	173.4	179.1	62.7	0	0	0	109.3	M73 R83 F87 L113 R117 F136 F138	M73-L122 HydrophobicContact SD-CD2 4.04Å; R83-L122 VanDerWaalsContact CD-O 3.27Å; R83-L122 WeakPolarHBondContact CD-O 3.33Å; R83-L122 PolarHBondContact NH1-O 3.14Å; F87-L122 HydrophobicContact CZ-CD2 4.4Å; L113-L122 HydrophobicContact CD1-CD1 3.62Å; R117-L122 HydrophobicContact CB-CB 4.34Å; R117-L122 HydrophobicContact CB-CD1 4.08Å; R117-L122 PolarHBondContact O-N 3.37Å; L122-F136 WeakPolarHBondContact CB-O 3.44Å; L122-F136 HydrophobicContact CD2-CD1 3.97Å; L122-F136 HydrophobicContact CD2-CE1 4.01Å; L122-F136 PolarHBondContact N-O 3.45Å; L122-F138 HydrophobicContact CD2-CD1 4.04Å; L122-F138 HydrophobicContact CD2-CE1 3.49Å; L122-F138 VanDerWaalsContact CD2-CE1 3.49Å; L122-F138 HydrophobicContact CD2-CZ 4.43Å
123	L	94.9	Very high	87	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	173.4	176.8	60.3	83	0	0	0	111	H80 R83 C85 L125 F136 V240	H80-L123 VanDerWaalsContact O-CA 3.3Å; H80-L123 WeakPolarHBondContact O-CA 3.48Å; R83-L123 HydrophobicContact CB-CB 4.07Å; R83-L123 HydrophobicContact CG-CB 4.31Å; R83-L123 WeakPolarHBondContact O-CB 3.48Å; C85-L123 HydrophobicContact CB-CD2 3.81Å; C85-L123 VanDerWaalsContact SG-CD2 3.56Å; L123-L125 HydrophobicContact CD1-CD2 4.16Å; L123-F136 HydrophobicContact CD1-CB 3.47Å; L123-F136 VanDerWaalsContact CD1-CB 3.47Å; L123-F136 HydrophobicContact CD1-CD1 4.16Å; L123-F136 HydrophobicContact CD1-CG 4.04Å; L123-F136 HydrophobicContact CD2-CD1 4.23Å; L123-F136 HydrophobicContact CG-CB 3.88Å; L123-F136 HydrophobicContact CG-CD1 3.95Å; L123-F136 HydrophobicContact CG-CG 4.29Å; L123-F136 PolarHBondContact O-N 2.98Å; L123-V240 HydrophobicContact CD1-CG1 4.09Å; L123-V240 HydrophobicContact CD2-CB 4.41Å; L123-V240 HydrophobicContact CD2-CG1 4.45Å; L123-V240 WeakPolarHBondContact CD2-O 3.26Å
124	D	94.7	Very high	87.3	Confident	4 Å²	4	51.4 Å²	51.4	2%	0.021	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	134.8	171	-59.9	-25	0	0	0	111.3	H80 S126 Q134 Y135 G241 K244	H80-D124 IonicContact CD2-OD1 3.5Å; H80-D124 PolarHBondContact CD2-OD1 3.27Å; H80-D124 IonicContact CD2-OD2 3.88Å; H80-D124 PolarHBondContact O-N 2.73Å; D124-S126 VanDerWaalsContact C-N 3.35Å; D124-Q134 CarbonylContact C-O 3.48Å; D124-Q134 WeakPolarHBondContact CA-O 3.34Å; D124-Y135 WeakPolarHBondContact OD1-CD1 3.48Å; D124-Y135 WeakPolarHBondContact OD1-CE1 3.22Å; D124-G241 WeakPolarHBondContact O-CA 3.27Å; D124-K244 IonicContact OD2-NZ 3.41Å; D124-K244 PolarHBondContact OD2-NZ 2.59Å
125	L	96.3	Very high	87.6	Confident	10 Å²	10	53.5 Å²	53.5	5%	0.052	27%	0.265	C	S	.	.	S	Bend	trans	-80.4	-15	175.4	-69.4	176.6	0	0	0	113.1	L123 Q134 F136 L162 N163 V240	L123-L125 HydrophobicContact CD1-CD2 4.16Å; L125-Q134 WeakPolarHBondContact CB-O 3.39Å; L125-Q134 PolarHBondContact N-O 2.98Å; L125-F136 HydrophobicContact CD1-CB 4.33Å; L125-F136 HydrophobicContact CD1-CD2 4.32Å; L125-F136 HydrophobicContact CD2-CB 3.84Å; L125-F136 HydrophobicContact CD2-CD2 3.83Å; L125-F136 HydrophobicContact CD2-CG 4.09Å; L125-F136 HydrophobicContact CG-CB 3.83Å; L125-F136 HydrophobicContact CG-CD2 4.38Å; L125-L162 CarbonylContact O-C 3.48Å; L125-L162 WeakPolarHBondContact O-CA 3.45Å; L125-L162 WeakPolarHBondContact O-CB 3.48Å; L125-N163 HydrophobicContact CB-CB 3.82Å; L125-N163 PolarHBondContact O-N 2.7Å; L125-V240 HydrophobicContact CD2-CG1 3.55Å
126	S	95.2	Very high	87.9	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.235	C	C	.	.	S	Bend	trans	-119.4	166.2	178.4	88.1	0	0	0	0	111.1	D124 V128 Q134 K244	D124-S126 VanDerWaalsContact C-N 3.35Å; S126-V128 PolarHBondContact O-N 2.91Å; S126-V128 PolarHBondContact OG-N 2.65Å; S126-V128 VanDerWaalsContact OG-N 3.13Å; S126-Q134 WeakPolarHBondContact OG-CG 3.49Å; S126-K244 WeakPolarHBondContact O-CE 3.49Å
127	S	93.3	Very high	88.3	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.007	22%	0.219	C	C	.	.	S	Bend	trans	-77.5	-7.1	174.4	73.9	0	0	0	0	114.2	D176 K244	S127-D176 WeakPolarHBondContact CB-O 3.45Å; S127-D176 WeakPolarHBondContact OG-CA 3.37Å; S127-D176 PolarHBondContact OG-O 2.96Å; S127-K244 VanDerWaalsContact O-CD 3.25Å; S127-K244 WeakPolarHBondContact O-CD 3.45Å; S127-K244 WeakPolarHBondContact O-CE 3.41Å; S127-K244 WeakPolarHBondContact O-CG 3.3Å
128	V	89	Confident	88.6	Confident	11 Å²	11	43.1 Å²	43.1	7%	0.067	22%	0.217	C	C	.	.	S	Bend	trans	-79.6	128.4	178.1	-179.6	0	0	0	0	109.4	S126 H131 F165 D176 F253	S126-V128 PolarHBondContact O-N 2.91Å; S126-V128 PolarHBondContact OG-N 2.65Å; S126-V128 VanDerWaalsContact OG-N 3.13Å; V128-H131 HydrophobicContact CG1-CB 4.33Å; V128-F165 HydrophobicContact CB-CD2 3.82Å; V128-F165 HydrophobicContact CB-CE2 3.85Å; V128-F165 HydrophobicContact CB-CG 4.3Å; V128-F165 HydrophobicContact CB-CZ 4.35Å; V128-F165 HydrophobicContact CG1-CD2 4.36Å; V128-F165 HydrophobicContact CG1-CE2 3.87Å; V128-F165 HydrophobicContact CG1-CZ 4.08Å; V128-F165 HydrophobicContact CG2-CB 4.14Å; V128-F165 HydrophobicContact CG2-CD1 3.64Å; V128-F165 HydrophobicContact CG2-CD2 3.44Å; V128-F165 VanDerWaalsContact CG2-CD2 3.44Å; V128-F165 HydrophobicContact CG2-CE1 3.89Å; V128-F165 HydrophobicContact CG2-CE2 3.71Å; V128-F165 HydrophobicContact CG2-CG 3.41Å; V128-F165 VanDerWaalsContact CG2-CG 3.41Å; V128-F165 HydrophobicContact CG2-CZ 3.92Å; V128-D176 HydrophobicContact CG2-CB 4.17Å; V128-F253 HydrophobicContact CG1-CD2 4.23Å; V128-F253 HydrophobicContact CG1-CE2 3.96Å
129	E	81.8	Confident	88.8	Confident	88 Å²	88	39.9 Å²	39.9	41%	0.411	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	141.2	-175.7	-64.5	177.6	-179.4	0	0	112.3	H131 K244 K260	E129-H131 PolarHBondContact O-N 3.33Å; E129-H131 VanDerWaalsContact O-N 3.1Å; E129-K244 HydrophobicContact CG-CD 3.6Å; E129-K260 VanDerWaalsContact CD-NZ 3.3Å; E129-K260 WeakPolarHBondContact OE1-CE 3.18Å; E129-K260 IonicContact OE1-NZ 3.21Å; E129-K260 PolarHBondContact OE1-NZ 3.37Å; E129-K260 IonicContact OE2-NZ 2.8Å
130	D	68	Low	89.2	Confident	87 Å²	87	36.5 Å²	36.5	47%	0.465	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	33.6	168	-61.8	-37	0	0	0	114.6	H80	H80-D130 IonicContact CD2-OD1 3.96Å; H80-D130 IonicContact CE1-OD1 3.47Å; H80-D130 PolarHBondContact CE1-OD1 2.81Å; H80-D130 IonicContact NE2-OD1 2.8Å; H80-D130 PolarHBondContact NE2-OD1 2.82Å
131	H	77.6	Confident	89.6	Confident	43 Å²	43	36.3 Å²	36.3	20%	0.199	19%	0.185	C	C	.	.			trans	-98	105.8	173.8	-161.2	-66.8	0	0	0	109.7	V128 E129 T133 Q134 F253	V128-H131 HydrophobicContact CG1-CB 4.33Å; E129-H131 PolarHBondContact O-N 3.33Å; E129-H131 VanDerWaalsContact O-N 3.1Å; H131-T133 PolarHBondContact CE1-OG1 3.48Å; H131-T133 PolarHBondContact ND1-OG1 2.81Å; H131-T133 PolarHBondContact O-N 3.24Å; H131-T133 VanDerWaalsContact O-N 3.07Å; H131-Q134 HydrophobicContact CB-CG 3.87Å; H131-Q134 WeakPolarHBondContact O-CA 3.31Å; H131-Q134 VanDerWaalsContact O-CB 3.27Å; H131-Q134 WeakPolarHBondContact O-CB 3.3Å; H131-Q134 PolarHBondContact O-N 2.94Å; H131-F253 AromaticContact CD2-CE1 3.96Å
132	N	75.8	Confident	89.8	Confident	113 Å²	113	39.9 Å²	39.9	60%	0.604	21%	0.208	S	C	*	.	G	3₁₀ helix	trans	-57.7	-27.6	-170.7	66.9	-20.3	0	0	0	115.3	Q134 Y135	N132-Q134 PolarHBondContact O-N 3.01Å; N132-Y135 HydrophobicContact CB-CD2 4.15Å; N132-Y135 HydrophobicContact CB-CE2 3.78Å; N132-Y135 PolarHBondContact O-N 3.1Å
133	T	80.3	Confident	89.9	Confident	87 Å²	87	40.2 Å²	40.2	53%	0.534	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-69.1	-8.2	174.5	70.8	0	0	0	0	113.5	H131	H131-T133 PolarHBondContact CE1-OG1 3.48Å; H131-T133 PolarHBondContact ND1-OG1 2.81Å; H131-T133 PolarHBondContact O-N 3.24Å; H131-T133 VanDerWaalsContact O-N 3.07Å
134	Q	87.9	Confident	89.8	Confident	10 Å²	10	43.3 Å²	43.3	5%	0.047	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-103.9	2.9	-177.5	-49.6	-58.1	-22	0	0	112	D124 L125 S126 H131 N132 N163	D124-Q134 CarbonylContact C-O 3.48Å; D124-Q134 WeakPolarHBondContact CA-O 3.34Å; L125-Q134 WeakPolarHBondContact CB-O 3.39Å; L125-Q134 PolarHBondContact N-O 2.98Å; S126-Q134 WeakPolarHBondContact OG-CG 3.49Å; H131-Q134 HydrophobicContact CB-CG 3.87Å; H131-Q134 WeakPolarHBondContact O-CA 3.31Å; H131-Q134 VanDerWaalsContact O-CB 3.27Å; H131-Q134 WeakPolarHBondContact O-CB 3.3Å; H131-Q134 PolarHBondContact O-N 2.94Å; N132-Q134 PolarHBondContact O-N 3.01Å; Q134-N163 PolarHBondContact OE1-ND2 3.22Å
135	Y	92.9	Very high	89.8	Confident	71 Å²	71	44.1 Å²	44.1	28%	0.278	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	132.8	-178.4	-69.2	-14.6	0	0	0	112.4	P120 A121 D124 N132	P120-Y135 HydrophobicContact CB-CE2 3.73Å; P120-Y135 HydrophobicContact CG-CE1 4.26Å; P120-Y135 HydrophobicContact CG-CE2 4.15Å; P120-Y135 WeakPolarHBondContact CG-OH 3.46Å; A121-Y135 HydrophobicContact CB-CD1 3.73Å; A121-Y135 HydrophobicContact CB-CD2 3.8Å; A121-Y135 HydrophobicContact CB-CE1 4.37Å; A121-Y135 HydrophobicContact CB-CE2 4.45Å; A121-Y135 HydrophobicContact CB-CG 3.4Å; A121-Y135 VanDerWaalsContact CB-CG 3.4Å; D124-Y135 WeakPolarHBondContact OD1-CD1 3.48Å; D124-Y135 WeakPolarHBondContact OD1-CE1 3.22Å; N132-Y135 HydrophobicContact CB-CD2 4.15Å; N132-Y135 HydrophobicContact CB-CE2 3.78Å; N132-Y135 PolarHBondContact O-N 3.1Å
136	F	95.5	Very high	89.7	Confident	4 Å²	4	44.2 Å²	44.2	2%	0.018	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	137.2	171.6	-179.8	-103.9	0	0	0	111.2	F87 L90 F99 L122 L123 L125 F138 V240	F87-F136 HydrophobicContact CE2-CE1 4.08Å; F87-F136 HydrophobicContact CE2-CZ 4.42Å; F87-F136 AromaticContact CZ-CE1 3.83Å; F87-F136 HydrophobicContact CZ-CE1 3.83Å; F87-F136 HydrophobicContact CZ-CZ 4.31Å; L90-F136 HydrophobicContact CD2-CZ 4.06Å; F99-F136 HydrophobicContact CB-CE2 4.24Å; F99-F136 HydrophobicContact CB-CZ 4.36Å; F99-F136 HydrophobicContact CD1-CE2 4.3Å; F99-F136 HydrophobicContact CD2-CD2 4.12Å; F99-F136 AromaticContact CD2-CE2 3.42Å; F99-F136 HydrophobicContact CD2-CE2 3.42Å; F99-F136 VanDerWaalsContact CD2-CE2 3.42Å; F99-F136 HydrophobicContact CD2-CZ 4.31Å; F99-F136 HydrophobicContact CE2-CD2 4.26Å; F99-F136 AromaticContact CE2-CE2 3.71Å; F99-F136 HydrophobicContact CE2-CE2 3.71Å; F99-F136 AromaticContact CG-CE2 3.73Å; F99-F136 HydrophobicContact CG-CE2 3.73Å; F99-F136 HydrophobicContact CG-CZ 4.2Å; F99-F136 HydrophobicContact CZ-CE2 4.26Å; L122-F136 WeakPolarHBondContact CB-O 3.44Å; L122-F136 HydrophobicContact CD2-CD1 3.97Å; L122-F136 HydrophobicContact CD2-CE1 4.01Å; L122-F136 PolarHBondContact N-O 3.45Å; L123-F136 HydrophobicContact CD1-CB 3.47Å; L123-F136 VanDerWaalsContact CD1-CB 3.47Å; L123-F136 HydrophobicContact CD1-CD1 4.16Å; L123-F136 HydrophobicContact CD1-CG 4.04Å; L123-F136 HydrophobicContact CD2-CD1 4.23Å; L123-F136 HydrophobicContact CG-CB 3.88Å; L123-F136 HydrophobicContact CG-CD1 3.95Å; L123-F136 HydrophobicContact CG-CG 4.29Å; L123-F136 PolarHBondContact O-N 2.98Å; L125-F136 HydrophobicContact CD1-CB 4.33Å; L125-F136 HydrophobicContact CD1-CD2 4.32Å; L125-F136 HydrophobicContact CD2-CB 3.84Å; L125-F136 HydrophobicContact CD2-CD2 3.83Å; L125-F136 HydrophobicContact CD2-CG 4.09Å; L125-F136 HydrophobicContact CG-CB 3.83Å; L125-F136 HydrophobicContact CG-CD2 4.38Å; F136-F138 AromaticContact CE1-CD1 3.91Å; F136-F138 HydrophobicContact CE1-CD1 3.91Å; F136-F138 HydrophobicContact CZ-CD1 4.3Å; F136-V240 HydrophobicContact CD1-CG1 3.99Å; F136-V240 HydrophobicContact CD2-CG1 3.74Å; F136-V240 HydrophobicContact CE1-CG1 4Å; F136-V240 HydrophobicContact CE2-CG1 3.73Å; F136-V240 HydrophobicContact CG-CG1 3.86Å; F136-V240 HydrophobicContact CZ-CG1 3.88Å; F136-V240 HydrophobicContact CZ-CG2 4.39Å
137	N	93.6	Very high	89.6	Confident	51 Å²	51	52.3 Å²	52.3	27%	0.273	28%	0.279	S	S	.	.			trans	-150.3	167.2	165.9	-91	-63.5	0	0	0	109.8	R117	R117-N137 PolarHBondContact NH1-OD1 3.25Å; R117-N137 PolarHBondContact O-OD1 2.88Å
138	F	95.4	Very high	89.6	Confident	10 Å²	10	60.8 Å²	60.8	4%	0.044	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	154.6	172	55.3	-102.4	0	0	0	110.8	M73 F87 F99 F101 M109 R117 L122 F136 E140	M73-F138 HydrophobicContact SD-CE1 3.73Å; M73-F138 HydrophobicContact SD-CZ 4.03Å; F87-F138 AromaticContact CE1-CD1 3.95Å; F87-F138 HydrophobicContact CE1-CD1 3.95Å; F87-F138 AromaticContact CE1-CE1 3.64Å; F87-F138 HydrophobicContact CE1-CE1 3.64Å; F87-F138 HydrophobicContact CE1-CZ 4.43Å; F87-F138 HydrophobicContact CZ-CD1 4.04Å; F87-F138 AromaticContact CZ-CE1 3.79Å; F87-F138 HydrophobicContact CZ-CE1 3.79Å; F99-F138 HydrophobicContact CB-CB 3.83Å; F99-F138 CarbonylContact O-C 3.46Å; F99-F138 VanDerWaalsContact O-CA 3.29Å; F99-F138 WeakPolarHBondContact O-CA 3.47Å; F99-F138 WeakPolarHBondContact O-CB 3.48Å; F101-F138 HydrophobicContact CB-CD2 3.33Å; F101-F138 HydrophobicContact CB-CE2 3.52Å; F101-F138 HydrophobicContact CB-CG 4.04Å; F101-F138 HydrophobicContact CB-CZ 4.34Å; F101-F138 HydrophobicContact CD2-CD2 4.5Å; F101-F138 HydrophobicContact CD2-CE2 4.01Å; F101-F138 HydrophobicContact CD2-CZ 4.05Å; F101-F138 HydrophobicContact CG-CD2 4.17Å; F101-F138 AromaticContact CG-CE2 3.84Å; F101-F138 HydrophobicContact CG-CE2 3.84Å; F101-F138 HydrophobicContact CG-CZ 4.35Å; M109-F138 HydrophobicContact SD-CE2 4.05Å; M109-F138 HydrophobicContact SD-CZ 3.73Å; R117-F138 PolarHBondContact NH1-O 2.94Å; R117-F138 PolarHBondContact NH2-O 3.49Å; L122-F138 HydrophobicContact CD2-CD1 4.04Å; L122-F138 HydrophobicContact CD2-CE1 3.49Å; L122-F138 VanDerWaalsContact CD2-CE1 3.49Å; L122-F138 HydrophobicContact CD2-CZ 4.43Å; F136-F138 AromaticContact CE1-CD1 3.91Å; F136-F138 HydrophobicContact CE1-CD1 3.91Å; F136-F138 HydrophobicContact CZ-CD1 4.3Å; F138-E140 HydrophobicContact CD2-CG 3.97Å; F138-E140 HydrophobicContact CE2-CG 3.78Å
139	L	94.5	Very high	89.8	Confident	42 Å²	42	62.8 Å²	62.8	22%	0.22	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	155.6	166.5	75.6	88	0	0	0	110.1	E98 F99 V100 F101 L141	E98-L139 HydrophobicContact CB-CD2 3.67Å; E98-L139 HydrophobicContact CG-CD2 4.41Å; E98-L139 VanDerWaalsContact OE2-CD2 3.27Å; E98-L139 WeakPolarHBondContact OE2-CD2 3.39Å; F99-L139 WeakPolarHBondContact O-CG 3.43Å; F99-L139 PolarHBondContact O-N 2.98Å; V100-L139 WeakPolarHBondContact CA-O 3.49Å; V100-L139 HydrophobicContact CB-CD1 4.18Å; V100-L139 HydrophobicContact CB-CG 4.33Å; V100-L139 HydrophobicContact CG1-CD1 3.73Å; V100-L139 HydrophobicContact CG1-CG 4.4Å; V100-L139 HydrophobicContact CG2-CD1 3.9Å; V100-L139 HydrophobicContact CG2-CD2 3.97Å; V100-L139 HydrophobicContact CG2-CG 3.89Å; F101-L139 PolarHBondContact N-O 3.03Å; L139-L141 HydrophobicContact CD1-CD1 3.73Å; L139-L141 HydrophobicContact CD1-CD2 4.27Å; L139-L141 HydrophobicContact CD1-CG 3.49Å; L139-L141 VanDerWaalsContact CD1-CG 3.49Å
140	E	93.9	Very high	90.3	Very high	76 Å²	76	60.7 Å²	60.7	36%	0.355	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	128.9	-176.8	-67.9	177.1	-111.5	0	0	110	F101 H103 R117 F138	F101-E140 HydrophobicContact CB-CG 4.39Å; F101-E140 WeakPolarHBondContact O-CA 3.45Å; H103-E140 IonicContact CD2-OE2 3.86Å; H103-E140 IonicContact CE1-OE2 3.26Å; H103-E140 PolarHBondContact CE1-OE2 3.44Å; H103-E140 VanDerWaalsContact CE1-OE2 3.26Å; H103-E140 IonicContact NE2-OE2 2.66Å; H103-E140 PolarHBondContact NE2-OE2 2.88Å; R117-E140 IonicContact CZ-OE1 3.41Å; R117-E140 IonicContact NE-OE1 3.48Å; R117-E140 PolarHBondContact NE-OE1 3.44Å; R117-E140 IonicContact NH2-OE1 2.67Å; R117-E140 PolarHBondContact NH2-OE1 2.97Å; F138-E140 HydrophobicContact CD2-CG 3.97Å; F138-E140 HydrophobicContact CE2-CG 3.78Å
141	L	95.1	Very high	91.6	Very high	53 Å²	53	64.8 Å²	64.8	28%	0.277	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	151.8	176.5	-71.4	176.4	0	0	0	110.9	V100 F101 F102 H103 L139 A145 M149	V100-L141 HydrophobicContact CG1-CB 4.29Å; V100-L141 HydrophobicContact CG1-CD1 3.92Å; V100-L141 HydrophobicContact CG1-CG 4.24Å; F101-L141 PolarHBondContact O-N 3.38Å; F102-L141 CarbonylContact C-O 3.36Å; F102-L141 VanDerWaalsContact CA-O 3.25Å; F102-L141 WeakPolarHBondContact CA-O 3.45Å; F102-L141 HydrophobicContact CD1-CB 3.99Å; F102-L141 HydrophobicContact CE1-CB 3.96Å; F102-L141 HydrophobicContact CE1-CD1 4.21Å; H103-L141 PolarHBondContact N-O 3.45Å; L139-L141 HydrophobicContact CD1-CD1 3.73Å; L139-L141 HydrophobicContact CD1-CD2 4.27Å; L139-L141 HydrophobicContact CD1-CG 3.49Å; L139-L141 VanDerWaalsContact CD1-CG 3.49Å; L141-A145 HydrophobicContact CB-CB 4.43Å; L141-M149 HydrophobicContact CD1-CE 4.42Å
142	P	96.7	Very high	92.4	Very high	76 Å²	76	63.1 Å²	63.1	49%	0.494	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	141.7	168.1	28.7	-33.2	0	0	0	110.4	A144 A145	P142-A144 PolarHBondContact O-N 3.41Å; P142-A144 VanDerWaalsContact O-N 3.08Å; P142-A145 HydrophobicContact CG-CB 4.31Å; P142-A145 WeakPolarHBondContact O-CB 3.46Å; P142-A145 PolarHBondContact O-N 3.37Å
143	A	94.9	Very high	93.3	Very high	8 Å²	8	59.7 Å²	59.7	7%	0.066	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-56.7	-27.8	176.6	0	0	0	0	0	112.3	F102 H103 A145 L146	F102-A143 HydrophobicContact CB-CB 4.34Å; H103-A143 VanDerWaalsContact O-CB 3.32Å; H103-A143 WeakPolarHBondContact O-CB 3.5Å; H103-A143 PolarHBondContact O-N 2.86Å; A143-A145 PolarHBondContact O-N 3.18Å; A143-A145 VanDerWaalsContact O-N 3.15Å; A143-L146 HydrophobicContact CB-CD1 4.48Å; A143-L146 VanDerWaalsContact O-CB 3.27Å; A143-L146 WeakPolarHBondContact O-CB 3.45Å; A143-L146 WeakPolarHBondContact O-CD1 3.26Å; A143-L146 VanDerWaalsContact O-CG 3.3Å; A143-L146 WeakPolarHBondContact O-CG 3.4Å; A143-L146 PolarHBondContact O-N 2.85Å; A143-L146 VanDerWaalsContact O-N 3.08Å
144	A	93	Very high	94	Very high	64 Å²	64	56 Å²	56	53%	0.529	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-58.4	-24.6	172.6	0	0	0	0	0	113.9	P142 L146 K147	P142-A144 PolarHBondContact O-N 3.41Å; P142-A144 VanDerWaalsContact O-N 3.08Å; A144-L146 PolarHBondContact O-N 3.36Å; A144-K147 PolarHBondContact O-N 3.2Å
145	A	95.1	Very high	94.3	Very high	21 Å²	21	55.5 Å²	55.5	17%	0.174	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-64.6	-21.8	176.6	0	0	0	0	0	112.8	L141 P142 A143 K147 F148 M149	L141-A145 HydrophobicContact CB-CB 4.43Å; P142-A145 HydrophobicContact CG-CB 4.31Å; P142-A145 WeakPolarHBondContact O-CB 3.46Å; P142-A145 PolarHBondContact O-N 3.37Å; A143-A145 PolarHBondContact O-N 3.18Å; A143-A145 VanDerWaalsContact O-N 3.15Å; A145-K147 PolarHBondContact O-N 3.45Å; A145-F148 PolarHBondContact O-N 2.86Å; A145-M149 WeakPolarHBondContact O-CG 3.5Å; A145-M149 PolarHBondContact O-N 2.91Å
146	L	94	Very high	94.2	Very high	13 Å²	13	53.8 Å²	53.8	7%	0.068	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-55.3	-26	177.4	-71.8	162.9	0	0	0	113.2	L66 Q67 F102 A143 A144 F148 M149 P152 L232	L66-L146 HydrophobicContact CD1-CD1 4.45Å; L66-L146 HydrophobicContact CD2-CD1 3.89Å; L66-L146 HydrophobicContact CD2-CD2 3.92Å; L66-L146 HydrophobicContact CG-CD1 3.66Å; Q67-L146 HydrophobicContact CG-CD1 3.92Å; F102-L146 HydrophobicContact CD1-CD2 4.39Å; F102-L146 HydrophobicContact CD1-CG 4.13Å; F102-L146 HydrophobicContact CD2-CD2 4.3Å; F102-L146 HydrophobicContact CE1-CD2 3.84Å; F102-L146 HydrophobicContact CE1-CG 3.87Å; F102-L146 HydrophobicContact CE2-CD2 3.73Å; F102-L146 HydrophobicContact CE2-CG 4.46Å; F102-L146 HydrophobicContact CZ-CD2 3.46Å; F102-L146 VanDerWaalsContact CZ-CD2 3.46Å; F102-L146 HydrophobicContact CZ-CG 4.04Å; A143-L146 HydrophobicContact CB-CD1 4.48Å; A143-L146 VanDerWaalsContact O-CB 3.27Å; A143-L146 WeakPolarHBondContact O-CB 3.45Å; A143-L146 WeakPolarHBondContact O-CD1 3.26Å; A143-L146 VanDerWaalsContact O-CG 3.3Å; A143-L146 WeakPolarHBondContact O-CG 3.4Å; A143-L146 PolarHBondContact O-N 2.85Å; A143-L146 VanDerWaalsContact O-N 3.08Å; A144-L146 PolarHBondContact O-N 3.36Å; L146-F148 PolarHBondContact O-N 2.88Å; L146-M149 PolarHBondContact O-N 3.5Å; L146-P152 HydrophobicContact CD2-CG 4.32Å; L146-L232 HydrophobicContact CD2-CD2 4.18Å
147	K	92.6	Very high	94.1	Very high	169 Å²	169	54.5 Å²	54.5	74%	0.735	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-63.7	-23.1	176	-65.1	-179.4	-178.9	178.9	0	113.5	A144 A145	A144-K147 PolarHBondContact O-N 3.2Å; A145-K147 PolarHBondContact O-N 3.45Å
148	F	93.3	Very high	94.3	Very high	179 Å²	179	53.8 Å²	53.8	79%	0.785	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-110.6	0.4	-177.4	-50.9	-71.6	0	0	0	112.7	A145 L146	A145-F148 PolarHBondContact O-N 2.86Å; L146-F148 PolarHBondContact O-N 2.88Å
149	M	93.7	Very high	94.4	Very high	54 Å²	54	53.3 Å²	53.3	27%	0.266	28%	0.281	S	S	.	.	S	Bend	trans	-95.3	160.2	-178.8	-67.8	-76.7	-83.5	0	0	110.8	F102 L141 A145 L146 L232	F102-M149 HydrophobicContact CZ-CE 4.33Å; L141-M149 HydrophobicContact CD1-CE 4.42Å; A145-M149 WeakPolarHBondContact O-CG 3.5Å; A145-M149 PolarHBondContact O-N 2.91Å; L146-M149 PolarHBondContact O-N 3.5Å; M149-L232 HydrophobicContact CB-CD2 4.16Å; M149-L232 HydrophobicContact CE-CD1 4.19Å; M149-L232 HydrophobicContact CE-CD2 4.39Å
150	P	93.3	Very high	94.6	Very high	44 Å²	44	51.3 Å²	51.3	29%	0.286	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-53.3	151.5	167.3	-24.3	34.4	0	0	0	111.7	P152 K231 L232	P150-P152 WeakPolarHBondContact O-CD 3.44Å; P150-K231 HydrophobicContact CB-CB 3.67Å; P150-K231 HydrophobicContact CB-CD 4.29Å; P150-K231 HydrophobicContact CG-CB 3.73Å; P150-K231 HydrophobicContact CG-CD 4.07Å; P150-L232 HydrophobicContact CB-CB 4.41Å
151	K	93.6	Very high	94.8	Very high	172 Å²	172	47.7 Å²	47.7	75%	0.748	25%	0.253	S	S	*	.	P	Polyproline II helix	trans	-56.4	125	177.3	-72	-174.1	179	-178.7	0	109.6
152	P	95.1	Very high	95	Very high	9 Å²	9	45.2 Å²	45.2	6%	0.058	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	141.8	175.1	-23.6	32.7	0	0	0	111	Y59 L63 L146 P150 F154 L232	Y59-P152 VanDerWaalsContact CE2-O 3.28Å; Y59-P152 WeakPolarHBondContact CE2-O 3.43Å; Y59-P152 PolarHBondContact OH-O 2.98Å; L63-P152 HydrophobicContact CD1-CG 4.03Å; L146-P152 HydrophobicContact CD2-CG 4.32Å; P150-P152 WeakPolarHBondContact O-CD 3.44Å; P152-F154 HydrophobicContact CB-CE1 4.4Å; P152-F154 HydrophobicContact CB-CE2 3.93Å; P152-F154 HydrophobicContact CB-CZ 3.85Å; P152-F154 HydrophobicContact CG-CZ 4.43Å; P152-L232 CarbonylContact C-O 3.49Å; P152-L232 WeakPolarHBondContact CA-O 3.43Å; P152-L232 HydrophobicContact CB-CD2 4.34Å; P152-L232 HydrophobicContact CG-CD2 3.92Å
153	V	94.8	Very high	95	Very high	40 Å²	40	42 Å²	42	24%	0.242	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	116.4	165.6	176.4	0	0	0	0	106.9	L52 F229 L232 M233 C234	L52-V153 HydrophobicContact CD2-CG1 4.24Å; V153-F229 HydrophobicContact CG1-CB 4.5Å; V153-L232 PolarHBondContact N-O 3.39Å; V153-M233 HydrophobicContact CB-CE 4.21Å; V153-M233 HydrophobicContact CB-SD 3.72Å; V153-M233 HydrophobicContact CG1-CE 3.82Å; V153-M233 HydrophobicContact CG1-SD 3.92Å; V153-M233 HydrophobicContact CG2-SD 4.48Å; V153-M233 CarbonylContact O-C 3.58Å; V153-M233 WeakPolarHBondContact O-CA 3.38Å; V153-C234 PolarHBondContact O-N 2.93Å
154	F	94.6	Very high	95.1	Very high	10 Å²	10	41.6 Å²	41.6	4%	0.044	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	130.8	-175.5	-67.3	-78.2	0	0	0	111.3	I57 Y59 A62 L63 L66 Y89 P152 P156 C234 T236	I57-F154 HydrophobicContact CD1-CB 3.93Å; I57-F154 HydrophobicContact CD1-CG 4.45Å; I57-F154 HydrophobicContact CG2-CB 4.32Å; Y59-F154 AromaticContact CD2-CD2 3.95Å; Y59-F154 HydrophobicContact CD2-CD2 3.95Å; Y59-F154 HydrophobicContact CD2-CE2 4.19Å; Y59-F154 HydrophobicContact CE2-CD2 4.01Å; Y59-F154 AromaticContact CE2-CE2 3.99Å; Y59-F154 HydrophobicContact CE2-CE2 3.99Å; A62-F154 HydrophobicContact CB-CD1 4.08Å; A62-F154 HydrophobicContact CB-CD2 3.82Å; A62-F154 HydrophobicContact CB-CE1 4.09Å; A62-F154 HydrophobicContact CB-CE2 3.82Å; A62-F154 HydrophobicContact CB-CG 3.95Å; A62-F154 HydrophobicContact CB-CZ 3.97Å; L63-F154 HydrophobicContact CB-CE2 4.22Å; L63-F154 HydrophobicContact CB-CZ 4.36Å; L66-F154 HydrophobicContact CB-CE1 4.47Å; L66-F154 HydrophobicContact CD2-CE1 4.12Å; L66-F154 HydrophobicContact CD2-CZ 4.21Å; Y89-F154 HydrophobicContact CD1-CD1 4.28Å; Y89-F154 AromaticContact CD1-CE1 3.92Å; Y89-F154 HydrophobicContact CD1-CE1 3.92Å; Y89-F154 HydrophobicContact CE1-CD1 4.37Å; Y89-F154 HydrophobicContact CE1-CE1 4.14Å; P152-F154 HydrophobicContact CB-CE1 4.4Å; P152-F154 HydrophobicContact CB-CE2 3.93Å; P152-F154 HydrophobicContact CB-CZ 3.85Å; P152-F154 HydrophobicContact CG-CZ 4.43Å; F154-P156 WeakPolarHBondContact O-CD 3.18Å; F154-C234 CarbonylContact C-O 3.51Å; F154-C234 VanDerWaalsContact CA-O 3.26Å; F154-C234 WeakPolarHBondContact CA-O 3.48Å; F154-C234 HydrophobicContact CD1-CB 3.62Å; F154-C234 HydrophobicContact CE1-CB 3.7Å; F154-T236 HydrophobicContact CB-CG2 4.34Å; F154-T236 HydrophobicContact CD1-CG2 4.25Å
155	V	94.2	Very high	95.2	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	110.5	167.3	-178.1	0	0	0	0	106.9	L52 T159 M233 C234 F235 T236	L52-V155 HydrophobicContact CD1-CG1 4.2Å; L52-V155 HydrophobicContact CD1-CG2 4.37Å; V155-T159 HydrophobicContact CG1-CG2 3.81Å; V155-M233 HydrophobicContact CG2-CE 3.75Å; V155-C234 PolarHBondContact N-O 3.25Å; V155-F235 HydrophobicContact CB-CD1 3.76Å; V155-F235 HydrophobicContact CB-CE1 4.2Å; V155-F235 HydrophobicContact CG1-CD1 4.05Å; V155-F235 HydrophobicContact CG1-CE1 4.4Å; V155-F235 HydrophobicContact CG2-CD1 3.86Å; V155-F235 HydrophobicContact CG2-CE1 3.83Å; V155-T236 PolarHBondContact O-N 3.08Å; V155-T236 VanDerWaalsContact O-N 3.1Å; V155-T236 PolarHBondContact O-OG1 3.45Å; V155-T236 VanDerWaalsContact O-OG1 3.14Å
156	P	91.8	Very high	95.1	Very high	35 Å²	35	41 Å²	41	23%	0.227	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	-20.1	-171.7	32.2	-35.3	0	0	0	113.9	A55 I57 F154 T236	A55-P156 HydrophobicContact CB-CB 4.42Å; A55-P156 HydrophobicContact CB-CG 3.38Å; I57-P156 HydrophobicContact CB-CB 4.05Å; I57-P156 HydrophobicContact CD1-CB 4.25Å; F154-P156 WeakPolarHBondContact O-CD 3.18Å; P156-T236 PolarHBondContact O-OG1 2.99Å
157	D	93.3	Very high	95.1	Very high	19 Å²	19	40.7 Å²	40.7	10%	0.102	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	150.2	178.8	-54.5	-51.4	0	0	0	110.6	T159 R196	D157-T159 WeakPolarHBondContact O-CG2 3.4Å; D157-T159 PolarHBondContact O-N 3.29Å; D157-R196 HydrophobicContact CB-CB 4Å; D157-R196 IonicContact OD2-CZ 3.88Å; D157-R196 IonicContact OD2-NE 3.53Å; D157-R196 PolarHBondContact OD2-NE 2.87Å; D157-R196 IonicContact OD2-NH2 2.7Å; D157-R196 PolarHBondContact OD2-NH2 2.95Å
158	V	96.8	Very high	95.1	Very high	36 Å²	36	38.1 Å²	38.1	22%	0.218	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	124.1	163.2	-173.4	0	0	0	0	107.3	D190 L191 A195 R196 K237 Y239	V158-D190 WeakPolarHBondContact CG1-O 3.25Å; V158-L191 HydrophobicContact CG1-CD2 3.87Å; V158-A195 CarbonylContact O-C 3.54Å; V158-A195 WeakPolarHBondContact O-CA 3.35Å; V158-A195 WeakPolarHBondContact O-CB 3.23Å; V158-R196 PolarHBondContact O-N 3.33Å; V158-K237 WeakPolarHBondContact CA-O 3.49Å; V158-K237 HydrophobicContact CG1-CD 4.44Å; V158-K237 HydrophobicContact CG1-CG 4.32Å; V158-K237 HydrophobicContact CG2-CD 4.17Å; V158-Y239 HydrophobicContact CG1-CD2 4.09Å; V158-Y239 HydrophobicContact CG1-CE2 4.01Å
159	T	98.3	Very high	95.1	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	144.4	-175.6	66	0	0	0	0	112.9	V155 D157 R196 V198 F235 K237 S238 Y239	V155-T159 HydrophobicContact CG1-CG2 3.81Å; D157-T159 WeakPolarHBondContact O-CG2 3.4Å; D157-T159 PolarHBondContact O-N 3.29Å; T159-R196 CarbonylContact C-O 3.59Å; T159-R196 WeakPolarHBondContact CA-O 3.39Å; T159-R196 HydrophobicContact CG2-CB 4.26Å; T159-V198 HydrophobicContact CG2-CG2 4.06Å; T159-F235 HydrophobicContact CG2-CD1 3.74Å; T159-F235 HydrophobicContact CG2-CE1 4.35Å; T159-K237 PolarHBondContact N-O 2.56Å; T159-K237 PolarHBondContact OG1-O 3.24Å; T159-S238 CarbonylContact O-C 3.55Å; T159-S238 VanDerWaalsContact O-CA 3.3Å; T159-S238 WeakPolarHBondContact O-CA 3.23Å; T159-S238 WeakPolarHBondContact OG1-CA 3.28Å; T159-S238 WeakPolarHBondContact OG1-CB 3.38Å; T159-Y239 PolarHBondContact O-N 2.82Å
160	L	98.7	Very high	95.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	113.3	162.5	-179.1	62.8	0	0	0	108.6	L162 I181 T184 M185 L191 R196 L197 V198 Y239 L242	L160-L162 HydrophobicContact CD2-CD2 4.06Å; L160-L162 HydrophobicContact CG-CD2 3.79Å; L160-I181 HydrophobicContact CD2-CG2 3.98Å; L160-T184 HydrophobicContact CD1-CG2 4.13Å; L160-M185 HydrophobicContact CD2-CG 4Å; L160-L191 HydrophobicContact CB-CD2 4.11Å; L160-L191 HydrophobicContact CD1-CD1 4.15Å; L160-R196 PolarHBondContact N-O 3.47Å; L160-L197 HydrophobicContact CB-CD2 4.08Å; L160-L197 HydrophobicContact CD2-CD2 4.06Å; L160-V198 PolarHBondContact O-N 3.2Å; L160-Y239 CarbonylContact C-O 3.5Å; L160-Y239 WeakPolarHBondContact CA-O 3.25Å; L160-L242 HydrophobicContact CD2-CD2 4.12Å
161	I	98.7	Very high	95.4	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	120.6	-178.4	-53.4	-178.1	0	0	0	108.7	L90 F99 V198 M200 F235 Y239 V240 G241	L90-I161 HydrophobicContact CD2-CD1 4.35Å; F99-I161 HydrophobicContact CE1-CD1 4.09Å; F99-I161 HydrophobicContact CZ-CD1 4.4Å; F99-I161 HydrophobicContact CZ-CG2 3.97Å; I161-V198 WeakPolarHBondContact CA-O 3.25Å; I161-V198 HydrophobicContact CG1-CB 4.1Å; I161-V198 HydrophobicContact CG1-CG2 4.46Å; I161-M200 HydrophobicContact CG2-CG 3.54Å; I161-F235 HydrophobicContact CD1-CD1 4.47Å; I161-F235 HydrophobicContact CD1-CD2 3.98Å; I161-F235 HydrophobicContact CD1-CE2 4.15Å; I161-F235 HydrophobicContact CD1-CG 4.16Å; I161-F235 HydrophobicContact CD1-CZ 4.46Å; I161-Y239 PolarHBondContact N-O 3.48Å; I161-V240 HydrophobicContact CB-CG1 4.37Å; I161-V240 HydrophobicContact CB-CG2 4.19Å; I161-V240 HydrophobicContact CD1-CG2 4.24Å; I161-V240 HydrophobicContact CG2-CG1 4.47Å; I161-V240 WeakPolarHBondContact O-CA 3.47Å; I161-G241 PolarHBondContact O-N 2.59Å; I161-G241 VanDerWaalsContact O-N 3.1Å
162	L	98.1	Very high	95.5	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	176.3	-177.1	68.2	130.1	0	0	0	111	L125 L160 I181 L197 V198 F199 M200 L242	L125-L162 CarbonylContact O-C 3.48Å; L125-L162 WeakPolarHBondContact O-CA 3.45Å; L125-L162 WeakPolarHBondContact O-CB 3.48Å; L160-L162 HydrophobicContact CD2-CD2 4.06Å; L160-L162 HydrophobicContact CG-CD2 3.79Å; L162-I181 HydrophobicContact CD1-CD1 3.67Å; L162-I181 HydrophobicContact CD1-CG1 3.74Å; L162-I181 HydrophobicContact CD2-CD1 4.38Å; L162-I181 HydrophobicContact CD2-CG1 4.17Å; L162-L197 HydrophobicContact CD2-CD2 4.48Å; L162-V198 PolarHBondContact N-O 3.09Å; L162-F199 HydrophobicContact CD1-CD1 4.12Å; L162-F199 HydrophobicContact CD1-CE1 3.89Å; L162-F199 HydrophobicContact CD2-CD1 4.33Å; L162-F199 HydrophobicContact CD2-CE1 4.05Å; L162-F199 HydrophobicContact CG-CD1 3.96Å; L162-F199 HydrophobicContact CG-CE1 4.01Å; L162-F199 WeakPolarHBondContact O-CA 3.14Å; L162-M200 PolarHBondContact O-N 3.16Å; L162-L242 HydrophobicContact CB-CD1 4.07Å; L162-L242 HydrophobicContact CB-CD2 4.03Å; L162-L242 HydrophobicContact CB-CG 3.88Å; L162-L242 HydrophobicContact CD1-CD1 3.66Å; L162-L242 HydrophobicContact CD1-CD2 4.19Å; L162-L242 HydrophobicContact CD1-CG 4.26Å; L162-L242 HydrophobicContact CD2-CD2 4.28Å; L162-L242 HydrophobicContact CG-CD1 4.45Å; L162-L242 HydrophobicContact CG-CD2 4.39Å
163	N	97.7	Very high	95.7	Very high	9 Å²	9	20.2 Å²	20.2	5%	0.048	11%	0.111	C	C	.	.			trans	-114.1	134.9	167.2	-76.9	-2.4	0	0	0	109.4	L125 Q134 M200 E201	L125-N163 HydrophobicContact CB-CB 3.82Å; L125-N163 PolarHBondContact O-N 2.7Å; Q134-N163 PolarHBondContact OE1-ND2 3.22Å; N163-M200 VanDerWaalsContact OD1-C 3.26Å; N163-M200 WeakPolarHBondContact OD1-CB 3.47Å; N163-E201 VanDerWaalsContact CA-OE2 3.31Å; N163-E201 WeakPolarHBondContact CA-OE2 3.47Å; N163-E201 HydrophobicContact CB-CB 4.07Å; N163-E201 PolarHBondContact OD1-N 3.11Å; N163-E201 VanDerWaalsContact OD1-N 3.13Å
164	R	96.9	Very high	95.8	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.099	C	C	.	.			trans	-68	144.9	162.8	-65	176.2	-66	166.8	-1.5	109.2	D177 F199 E201 W203 G204 E205 Y212	R164-D177 WeakPolarHBondContact CA-OD1 3.48Å; R164-F199 HydrophobicContact CG-CD1 3.75Å; R164-F199 HydrophobicContact CG-CE1 3.89Å; R164-F199 HydrophobicContact CG-CG 4.2Å; R164-F199 HydrophobicContact CG-CZ 4.42Å; R164-E201 IonicContact CZ-OE1 2.82Å; R164-E201 PolarHBondContact N-OE2 3.17Å; R164-E201 IonicContact NE-OE1 2.72Å; R164-E201 PolarHBondContact NE-OE1 2.82Å; R164-E201 IonicContact NH2-OE1 3.4Å; R164-E201 PolarHBondContact NH2-OE1 2.9Å; R164-W203 HydrophobicContact CB-CE3 4.31Å; R164-W203 HydrophobicContact CB-CZ3 4.31Å; R164-W203 PolarHBondContact NH2-O 3.08Å; R164-W203 WeakPolarHBondContact O-CZ3 3.16Å; R164-G204 PolarHBondContact NH1-O 3.05Å; R164-G204 VanDerWaalsContact NH1-O 3.16Å; R164-G204 PolarHBondContact NH2-O 3.44Å; R164-E205 PolarHBondContact NH1-O 3.03Å; R164-Y212 HydrophobicContact CG-CE1 3.72Å
165	F	94.4	Very high	96	Very high	19 Å²	19	17.9 Å²	17.9	8%	0.083	10%	0.097	C	C	.	.	S	Bend	trans	-90.6	-44.6	-176.2	-178.6	-107.7	0	0	0	114.5	V128 H172 D176 D177 W203 F253	V128-F165 HydrophobicContact CB-CD2 3.82Å; V128-F165 HydrophobicContact CB-CE2 3.85Å; V128-F165 HydrophobicContact CB-CG 4.3Å; V128-F165 HydrophobicContact CB-CZ 4.35Å; V128-F165 HydrophobicContact CG1-CD2 4.36Å; V128-F165 HydrophobicContact CG1-CE2 3.87Å; V128-F165 HydrophobicContact CG1-CZ 4.08Å; V128-F165 HydrophobicContact CG2-CB 4.14Å; V128-F165 HydrophobicContact CG2-CD1 3.64Å; V128-F165 HydrophobicContact CG2-CD2 3.44Å; V128-F165 VanDerWaalsContact CG2-CD2 3.44Å; V128-F165 HydrophobicContact CG2-CE1 3.89Å; V128-F165 HydrophobicContact CG2-CE2 3.71Å; V128-F165 HydrophobicContact CG2-CG 3.41Å; V128-F165 VanDerWaalsContact CG2-CG 3.41Å; V128-F165 HydrophobicContact CG2-CZ 3.92Å; F165-H172 HydrophobicContact CD1-CB 4.37Å; F165-H172 AromaticContact CD1-CE1 3.93Å; F165-H172 AromaticContact CD1-CG 3.99Å; F165-H172 AromaticContact CD1-ND1 3.48Å; F165-H172 WeakPolarHBondContact CD1-ND1 3.22Å; F165-H172 AromaticContact CE1-CE1 3.59Å; F165-H172 AromaticContact CE1-ND1 3.64Å; F165-D176 HydrophobicContact CB-CB 3.96Å; F165-D176 HydrophobicContact CD1-CB 4.4Å; F165-D176 HydrophobicContact CG-CB 4.45Å; F165-D177 PolarHBondContact N-OD1 2.84Å; F165-W203 WeakPolarHBondContact O-CH2 3.49Å; F165-F253 HydrophobicContact CE1-CZ 4.4Å; F165-F253 AromaticContact CZ-CE2 3.86Å; F165-F253 HydrophobicContact CZ-CE2 3.86Å; F165-F253 AromaticContact CZ-CZ 3.6Å; F165-F253 HydrophobicContact CZ-CZ 3.6Å
166	N	93.6	Very high	96.1	Very high	53 Å²	53	18 Å²	18	28%	0.283	10%	0.098	S	C	.	.			trans	-160.9	80.2	177.1	-175.8	3.2	0	0	0	109.8	D168 N169 H172	N166-D168 PolarHBondContact O-N 2.86Å; N166-D168 VanDerWaalsContact O-N 3.16Å; N166-N169 PolarHBondContact O-N 2.89Å; N166-N169 VanDerWaalsContact O-N 3.14Å; N166-H172 HydrophobicContact CB-CB 3.79Å; N166-H172 PolarHBondContact ND2-CD2 3.46Å; N166-H172 VanDerWaalsContact ND2-CD2 3.28Å
167	P	93.9	Very high	96.4	Very high	6 Å²	6	16.4 Å²	16.4	4%	0.039	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-12.5	-166	30.5	-39.8	0	0	0	113.9	N169 V173 W203 H208	P167-N169 VanDerWaalsContact C-N 3.34Å; P167-V173 VanDerWaalsContact O-CG2 3.3Å; P167-V173 WeakPolarHBondContact O-CG2 3.34Å; P167-W203 HydrophobicContact CG-CD2 4.17Å; P167-W203 HydrophobicContact CG-CE3 3.39Å; P167-W203 HydrophobicContact CG-CZ3 3.86Å; P167-H208 PolarHBondContact O-CD2 2.93Å; P167-H208 VanDerWaalsContact O-CD2 3.3Å
168	D	92.2	Very high	96.7	Very high	116 Å²	116	15.5 Å²	15.5	62%	0.62	8%	0.083	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87	-6.9	177.3	-64.7	-34.6	0	0	0	112.7	N166	N166-D168 PolarHBondContact O-N 2.86Å; N166-D168 VanDerWaalsContact O-N 3.16Å
169	N	94.1	Very high	96.7	Very high	50 Å²	50	13.9 Å²	13.9	27%	0.267	7%	0.073	S	C	.	.	S	Bend	trans	-116.2	111.6	179.7	-178.5	-44.5	0	0	0	110.3	N166 P167 M171 H172 V173 A358	N166-N169 PolarHBondContact O-N 2.89Å; N166-N169 VanDerWaalsContact O-N 3.14Å; P167-N169 VanDerWaalsContact C-N 3.34Å; N169-M171 PolarHBondContact O-N 3.4Å; N169-M171 VanDerWaalsContact O-N 3.08Å; N169-M171 WeakPolarHBondContact OD1-CB 3.04Å; N169-M171 PolarHBondContact OD1-N 3.18Å; N169-H172 HydrophobicContact CB-CB 4.39Å; N169-H172 VanDerWaalsContact CG-CD2 3.49Å; N169-H172 WeakPolarHBondContact O-CB 3.29Å; N169-H172 PolarHBondContact O-N 2.75Å; N169-V173 WeakPolarHBondContact O-CG2 3.18Å; N169-V173 PolarHBondContact O-N 3.46Å; N169-A358 WeakPolarHBondContact OD1-CB 3.31Å
170	L	95.7	Very high	96.7	Very high	3 Å²	3	13.9 Å²	13.9	2%	0.016	7%	0.073	C	C	.	.	H	α-helix	trans	-54.3	-34.2	-174.8	-163.6	65.4	0	0	0	114.1	V173 F174 L211 L334 F339 A358 V361	L170-V173 PolarHBondContact O-N 3.32Å; L170-F174 HydrophobicContact CD1-CD2 3.91Å; L170-F174 HydrophobicContact CD1-CE2 3.69Å; L170-F174 HydrophobicContact CG-CD2 3.98Å; L170-F174 HydrophobicContact CG-CE2 4.1Å; L170-F174 WeakPolarHBondContact O-CD2 3.26Å; L170-F174 PolarHBondContact O-N 3.13Å; L170-L211 HydrophobicContact CD1-CD1 4.06Å; L170-L334 HydrophobicContact CD2-CD1 3.89Å; L170-L334 HydrophobicContact CD2-CD2 4.06Å; L170-F339 HydrophobicContact CD1-CE2 4.35Å; L170-F339 HydrophobicContact CD2-CD2 4.42Å; L170-F339 HydrophobicContact CD2-CE2 3.9Å; L170-A358 HydrophobicContact CB-CB 4.22Å; L170-V361 HydrophobicContact CB-CG1 4.42Å; L170-V361 HydrophobicContact CD2-CG1 4.15Å; L170-V361 HydrophobicContact CG-CG1 3.87Å
171	M	96.6	Very high	96.7	Very high	10 Å²	10	13.9 Å²	13.9	5%	0.049	7%	0.073	C	C	.	.	H	α-helix	trans	-66.9	-44.1	178.6	-176.3	-82	176.6	0	0	110.8	N169 F174 H175 Y251 A358 V361 P387 Y388	N169-M171 PolarHBondContact O-N 3.4Å; N169-M171 VanDerWaalsContact O-N 3.08Å; N169-M171 WeakPolarHBondContact OD1-CB 3.04Å; N169-M171 PolarHBondContact OD1-N 3.18Å; M171-F174 PolarHBondContact O-N 3Å; M171-H175 HydrophobicContact CE-CB 3.82Å; M171-H175 WeakPolarHBondContact O-CB 3.44Å; M171-H175 PolarHBondContact O-N 2.81Å; M171-H175 HydrophobicContact SD-CB 4.05Å; M171-Y251 HydrophobicContact CE-CE1 3.84Å; M171-Y251 WeakPolarHBondContact CE-OH 3.32Å; M171-Y251 HydrophobicContact SD-CE1 3.7Å; M171-Y251 PolarHBondContact SD-OH 2.88Å; M171-A358 HydrophobicContact CB-CB 4.08Å; M171-V361 HydrophobicContact CB-CB 4.25Å; M171-V361 HydrophobicContact CG-CB 4.34Å; M171-V361 HydrophobicContact CG-CG2 4.38Å; M171-P387 HydrophobicContact CE-CB 3.96Å; M171-Y388 HydrophobicContact CG-CE1 4.23Å
172	H	96.8	Very high	96.6	Very high	19 Å²	19	14.9 Å²	14.9	9%	0.088	8%	0.077	C	C	.	.	H	α-helix	trans	-65.1	-42.7	174	-70.2	-64.5	0	0	0	112.1	F165 N166 N169 F174 H175 D176 D177 Y251	F165-H172 HydrophobicContact CD1-CB 4.37Å; F165-H172 AromaticContact CD1-CE1 3.93Å; F165-H172 AromaticContact CD1-CG 3.99Å; F165-H172 AromaticContact CD1-ND1 3.48Å; F165-H172 WeakPolarHBondContact CD1-ND1 3.22Å; F165-H172 AromaticContact CE1-CE1 3.59Å; F165-H172 AromaticContact CE1-ND1 3.64Å; N166-H172 HydrophobicContact CB-CB 3.79Å; N166-H172 PolarHBondContact ND2-CD2 3.46Å; N166-H172 VanDerWaalsContact ND2-CD2 3.28Å; N169-H172 HydrophobicContact CB-CB 4.39Å; N169-H172 VanDerWaalsContact CG-CD2 3.49Å; N169-H172 WeakPolarHBondContact O-CB 3.29Å; N169-H172 PolarHBondContact O-N 2.75Å; H172-F174 PolarHBondContact O-N 2.78Å; H172-H175 PolarHBondContact O-N 2.9Å; H172-D176 IonicContact CE1-OD2 3.05Å; H172-D176 IonicContact CG-OD2 2.61Å; H172-D176 IonicContact ND1-OD2 3.66Å; H172-D176 PolarHBondContact ND1-OD2 3.09Å; H172-D176 WeakPolarHBondContact O-CA 3.32Å; H172-D176 WeakPolarHBondContact O-CB 3.28Å; H172-D176 PolarHBondContact O-N 3.24Å; H172-D177 PolarHBondContact O-N 2.79Å; H172-Y251 AromaticContact CE1-CD1 3.65Å; H172-Y251 AromaticContact CE1-CD2 3.64Å; H172-Y251 AromaticContact CE1-CE1 3.35Å; H172-Y251 WeakPolarHBondContact CE1-CE1 3.5Å; H172-Y251 AromaticContact CE1-CE2 3.33Å; H172-Y251 WeakPolarHBondContact CE1-CE2 3.2Å; H172-Y251 AromaticContact CE1-CG 3.77Å; H172-Y251 AromaticContact CE1-CZ 3.16Å; H172-Y251 AromaticContact ND1-CE1 3.88Å; H172-Y251 AromaticContact ND1-CE2 3.5Å; H172-Y251 WeakPolarHBondContact ND1-CE2 3.37Å; H172-Y251 AromaticContact ND1-CZ 3.29Å; H172-Y251 VanDerWaalsContact ND1-CZ 3.29Å; H172-Y251 PolarHBondContact ND1-OH 2.81Å
173	V	98.1	Very high	96.5	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.089	C	C	.	.	I	π-helix	trans	-52.5	-46.2	175	171.3	0	0	0	0	110.8	P167 N169 L170 D177 L178 H208 L211 Y212	P167-V173 VanDerWaalsContact O-CG2 3.3Å; P167-V173 WeakPolarHBondContact O-CG2 3.34Å; N169-V173 WeakPolarHBondContact O-CG2 3.18Å; N169-V173 PolarHBondContact O-N 3.46Å; L170-V173 PolarHBondContact O-N 3.32Å; V173-D177 WeakPolarHBondContact O-CB 3.5Å; V173-D177 PolarHBondContact O-N 3.05Å; V173-L178 HydrophobicContact CG1-CD1 3.69Å; V173-L178 HydrophobicContact CG1-CG 3.97Å; V173-L178 WeakPolarHBondContact O-CB 3.35Å; V173-L178 VanDerWaalsContact O-CG 3.29Å; V173-L178 WeakPolarHBondContact O-CG 3.39Å; V173-L178 PolarHBondContact O-N 3.36Å; V173-H208 HydrophobicContact CG1-CB 4.29Å; V173-H208 HydrophobicContact CG2-CB 4.03Å; V173-L211 HydrophobicContact CG1-CD1 4.05Å; V173-Y212 HydrophobicContact CG1-CE2 4.1Å
174	F	98.3	Very high	96.4	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.086	C	C	.	.	I	π-helix	trans	-77.9	-50.1	179.9	-87.6	-87.3	0	0	0	113.6	L170 M171 H172 L178 L179 L211 F273 L277 F339 V361 L364 F365	L170-F174 HydrophobicContact CD1-CD2 3.91Å; L170-F174 HydrophobicContact CD1-CE2 3.69Å; L170-F174 HydrophobicContact CG-CD2 3.98Å; L170-F174 HydrophobicContact CG-CE2 4.1Å; L170-F174 WeakPolarHBondContact O-CD2 3.26Å; L170-F174 PolarHBondContact O-N 3.13Å; M171-F174 PolarHBondContact O-N 3Å; H172-F174 PolarHBondContact O-N 2.78Å; F174-L178 HydrophobicContact CD1-CD1 4.22Å; F174-L178 HydrophobicContact CD2-CD1 4.41Å; F174-L178 HydrophobicContact CE1-CD1 4.09Å; F174-L178 HydrophobicContact CE2-CD1 4.3Å; F174-L178 HydrophobicContact CG-CD1 4.37Å; F174-L178 HydrophobicContact CZ-CD1 4.12Å; F174-L179 VanDerWaalsContact O-CB 3.26Å; F174-L179 WeakPolarHBondContact O-CB 3.47Å; F174-L179 WeakPolarHBondContact O-CD1 3.38Å; F174-L179 WeakPolarHBondContact O-CG 3.47Å; F174-L179 PolarHBondContact O-N 3.01Å; F174-L179 VanDerWaalsContact O-N 3.12Å; F174-L211 HydrophobicContact CE2-CD1 3.7Å; F174-L211 HydrophobicContact CZ-CD1 4.08Å; F174-F273 AromaticContact CD1-CE1 3.65Å; F174-F273 HydrophobicContact CD1-CE1 3.65Å; F174-F273 AromaticContact CD1-CZ 3.94Å; F174-F273 HydrophobicContact CD1-CZ 3.94Å; F174-F273 AromaticContact CE1-CE1 3.75Å; F174-F273 HydrophobicContact CE1-CE1 3.75Å; F174-F273 AromaticContact CE1-CZ 3.94Å; F174-F273 HydrophobicContact CE1-CZ 3.94Å; F174-L277 HydrophobicContact CE1-CD2 3.57Å; F174-L277 HydrophobicContact CZ-CD2 3.91Å; F174-F339 HydrophobicContact CE2-CE1 4.06Å; F174-F339 HydrophobicContact CE2-CE2 4.22Å; F174-F339 AromaticContact CE2-CZ 3.51Å; F174-F339 HydrophobicContact CE2-CZ 3.51Å; F174-F339 AromaticContact CZ-CE1 3.62Å; F174-F339 HydrophobicContact CZ-CE1 3.62Å; F174-F339 HydrophobicContact CZ-CE2 4.46Å; F174-F339 AromaticContact CZ-CZ 3.37Å; F174-F339 HydrophobicContact CZ-CZ 3.37Å; F174-V361 HydrophobicContact CB-CB 4.49Å; F174-V361 HydrophobicContact CB-CG1 4.16Å; F174-V361 HydrophobicContact CB-CG2 3.52Å; F174-V361 HydrophobicContact CD2-CG1 3.83Å; F174-V361 HydrophobicContact CG-CG1 4.13Å; F174-V361 HydrophobicContact CG-CG2 4.19Å; F174-L364 HydrophobicContact CB-CD1 4.14Å; F174-L364 HydrophobicContact CD1-CD1 3.77Å; F174-L364 HydrophobicContact CG-CD1 4.2Å; F174-F365 HydrophobicContact CE1-CE2 4.07Å; F174-F365 AromaticContact CE1-CZ 3.71Å; F174-F365 HydrophobicContact CE1-CZ 3.71Å; F174-F365 HydrophobicContact CZ-CE2 4.13Å; F174-F365 AromaticContact CZ-CZ 3.97Å; F174-F365 HydrophobicContact CZ-CZ 3.97Å
175	H	98	Very high	96.3	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.005	9%	0.09	C	C	.	.	I	π-helix	trans	-73.7	-44.3	-172.5	176.3	-90	0	0	0	112.8	M171 H172 P180 W248 Y249 Y251	M171-H175 HydrophobicContact CE-CB 3.82Å; M171-H175 WeakPolarHBondContact O-CB 3.44Å; M171-H175 PolarHBondContact O-N 2.81Å; M171-H175 HydrophobicContact SD-CB 4.05Å; H172-H175 PolarHBondContact O-N 2.9Å; H175-P180 VanDerWaalsContact O-CD 3.26Å; H175-P180 WeakPolarHBondContact O-CD 3.43Å; H175-P180 WeakPolarHBondContact O-CG 3.5Å; H175-W248 HydrophobicContact CB-CH2 4.3Å; H175-W248 AromaticContact CD2-CD2 3.47Å; H175-W248 VanDerWaalsContact CD2-CD2 3.47Å; H175-W248 AromaticContact CD2-CE2 3.54Å; H175-W248 AromaticContact CD2-CE3 3.45Å; H175-W248 VanDerWaalsContact CD2-CE3 3.45Å; H175-W248 AromaticContact CD2-CH2 3.59Å; H175-W248 AromaticContact CD2-CZ2 3.62Å; H175-W248 AromaticContact CD2-CZ3 3.5Å; H175-W248 VanDerWaalsContact CD2-CZ3 3.5Å; H175-W248 WeakPolarHBondContact CD2-CZ3 3.23Å; H175-W248 AromaticContact NE2-CD2 3.72Å; H175-W248 AromaticContact NE2-CE3 3.87Å; H175-W248 AromaticContact NE2-CG 3.99Å; H175-W248 PolarHBondContact NE2-N 3.15Å; H175-Y249 PolarHBondContact CE1-O 2.87Å; H175-Y249 VanDerWaalsContact CE1-O 3.29Å; H175-Y249 PolarHBondContact NE2-N 3.44Å; H175-Y249 VanDerWaalsContact NE2-N 3.11Å; H175-Y251 PolarHBondContact ND1-OH 3.5Å; H175-Y251 VanDerWaalsContact ND1-OH 3.13Å
176	D	96.9	Very high	96.2	Very high	3 Å²	3	23.7 Å²	23.7	2%	0.016	11%	0.111	C	C	.	.	I	π-helix	trans	-100.7	-22.4	-170.5	-59.2	-58.2	0	0	0	113.5	S127 V128 F165 H172 P180 Y251	S127-D176 WeakPolarHBondContact CB-O 3.45Å; S127-D176 WeakPolarHBondContact OG-CA 3.37Å; S127-D176 PolarHBondContact OG-O 2.96Å; V128-D176 HydrophobicContact CG2-CB 4.17Å; F165-D176 HydrophobicContact CB-CB 3.96Å; F165-D176 HydrophobicContact CD1-CB 4.4Å; F165-D176 HydrophobicContact CG-CB 4.45Å; H172-D176 IonicContact CE1-OD2 3.05Å; H172-D176 IonicContact CG-OD2 2.61Å; H172-D176 IonicContact ND1-OD2 3.66Å; H172-D176 PolarHBondContact ND1-OD2 3.09Å; H172-D176 WeakPolarHBondContact O-CA 3.32Å; H172-D176 WeakPolarHBondContact O-CB 3.28Å; H172-D176 PolarHBondContact O-N 3.24Å; D176-P180 WeakPolarHBondContact O-CG 3.26Å; D176-Y251 VanDerWaalsContact OD2-CE2 3.27Å; D176-Y251 WeakPolarHBondContact OD2-CE2 3.44Å; D176-Y251 PolarHBondContact OD2-OH 3.47Å
177	D	98.1	Very high	96	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.116	C	C	.	.	I	π-helix	trans	-111.8	-71.9	-179.6	-49.8	-29.3	0	0	0	112.7	R164 F165 H172 V173 L179 P180 I181 Y212	R164-D177 WeakPolarHBondContact CA-OD1 3.48Å; F165-D177 PolarHBondContact N-OD1 2.84Å; H172-D177 PolarHBondContact O-N 2.79Å; V173-D177 WeakPolarHBondContact O-CB 3.5Å; V173-D177 PolarHBondContact O-N 3.05Å; D177-L179 PolarHBondContact O-N 2.99Å; D177-P180 WeakPolarHBondContact O-CD 3.37Å; D177-I181 HydrophobicContact CB-CD1 4.27Å; D177-I181 WeakPolarHBondContact O-CB 3.43Å; D177-I181 WeakPolarHBondContact O-CD1 3.39Å; D177-I181 WeakPolarHBondContact O-CG1 3.3Å; D177-I181 PolarHBondContact O-N 3.17Å; D177-Y212 HydrophobicContact CB-CE1 3.6Å; D177-Y212 PolarHBondContact OD2-OH 2.95Å
178	L	98.5	Very high	95.9	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	12%	0.122	C	C	.	.	I	π-helix	trans	-62.8	-44.1	-167.6	-62.7	174.8	0	0	0	113.4	V173 F174 F182 L211 Y212 L215 F273	V173-L178 HydrophobicContact CG1-CD1 3.69Å; V173-L178 HydrophobicContact CG1-CG 3.97Å; V173-L178 WeakPolarHBondContact O-CB 3.35Å; V173-L178 VanDerWaalsContact O-CG 3.29Å; V173-L178 WeakPolarHBondContact O-CG 3.39Å; V173-L178 PolarHBondContact O-N 3.36Å; F174-L178 HydrophobicContact CD1-CD1 4.22Å; F174-L178 HydrophobicContact CD2-CD1 4.41Å; F174-L178 HydrophobicContact CE1-CD1 4.09Å; F174-L178 HydrophobicContact CE2-CD1 4.3Å; F174-L178 HydrophobicContact CG-CD1 4.37Å; F174-L178 HydrophobicContact CZ-CD1 4.12Å; L178-F182 WeakPolarHBondContact O-CB 3.26Å; L178-F182 PolarHBondContact O-N 3.16Å; L178-L211 HydrophobicContact CD1-CB 3.72Å; L178-L211 HydrophobicContact CD1-CD1 4.16Å; L178-L211 HydrophobicContact CD2-CB 4.31Å; L178-Y212 HydrophobicContact CD2-CD1 3.72Å; L178-Y212 HydrophobicContact CD2-CD2 4.44Å; L178-Y212 HydrophobicContact CD2-CE1 4.09Å; L178-Y212 HydrophobicContact CD2-CG 3.95Å; L178-L215 HydrophobicContact CD2-CD1 3.68Å; L178-L215 HydrophobicContact CD2-CG 4.3Å; L178-F273 HydrophobicContact CB-CE2 3.95Å; L178-F273 HydrophobicContact CB-CZ 3.73Å; L178-F273 HydrophobicContact CD1-CZ 4.47Å
179	L	97.9	Very high	95.7	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.01	13%	0.134	C	C	.	.	H	α-helix	trans	-64.4	-52.3	177.7	-87.1	165.5	0	0	0	111.9	F174 D177 I181 F182 Y183 W248 I270 F273 L364	F174-L179 VanDerWaalsContact O-CB 3.26Å; F174-L179 WeakPolarHBondContact O-CB 3.47Å; F174-L179 WeakPolarHBondContact O-CD1 3.38Å; F174-L179 WeakPolarHBondContact O-CG 3.47Å; F174-L179 PolarHBondContact O-N 3.01Å; F174-L179 VanDerWaalsContact O-N 3.12Å; D177-L179 PolarHBondContact O-N 2.99Å; L179-I181 PolarHBondContact O-N 3.18Å; L179-F182 PolarHBondContact O-N 3.29Å; L179-Y183 WeakPolarHBondContact O-CB 3.49Å; L179-Y183 PolarHBondContact O-N 2.75Å; L179-W248 HydrophobicContact CD1-CH2 4.05Å; L179-W248 HydrophobicContact CD1-CZ3 3.71Å; L179-I270 HydrophobicContact CD1-CD1 3.61Å; L179-I270 HydrophobicContact CD2-CD1 3.79Å; L179-I270 HydrophobicContact CG-CD1 4.38Å; L179-F273 HydrophobicContact CD2-CB 3.47Å; L179-F273 VanDerWaalsContact CD2-CB 3.47Å; L179-F273 HydrophobicContact CD2-CD1 3.42Å; L179-F273 VanDerWaalsContact CD2-CD1 3.42Å; L179-F273 HydrophobicContact CD2-CD2 3.93Å; L179-F273 HydrophobicContact CD2-CE1 4.12Å; L179-F273 HydrophobicContact CD2-CG 3.3Å; L179-F273 HydrophobicContact CG-CD1 3.79Å; L179-F273 HydrophobicContact CG-CD2 4.36Å; L179-F273 HydrophobicContact CG-CE1 3.97Å; L179-F273 HydrophobicContact CG-CE2 4.5Å; L179-F273 HydrophobicContact CG-CG 4Å; L179-F273 HydrophobicContact CG-CZ 4.31Å; L179-L364 HydrophobicContact CD1-CD1 4.46Å
180	P	97.6	Very high	95.5	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-55.1	-43.7	172.6	-33.7	40.7	0	0	0	114.3	H175 D176 D177 T184 L242 S243 T246 T247	H175-P180 VanDerWaalsContact O-CD 3.26Å; H175-P180 WeakPolarHBondContact O-CD 3.43Å; H175-P180 WeakPolarHBondContact O-CG 3.5Å; D176-P180 WeakPolarHBondContact O-CG 3.26Å; D177-P180 WeakPolarHBondContact O-CD 3.37Å; P180-T184 VanDerWaalsContact O-CB 3.24Å; P180-T184 WeakPolarHBondContact O-CB 3.46Å; P180-T184 PolarHBondContact O-N 3.14Å; P180-T184 PolarHBondContact O-OG1 2.95Å; P180-L242 HydrophobicContact CB-CB 4.31Å; P180-L242 HydrophobicContact CB-CD1 4.15Å; P180-S243 WeakPolarHBondContact CB-O 3.44Å; P180-T246 WeakPolarHBondContact CA-OG1 3.29Å; P180-T246 WeakPolarHBondContact CD-OG1 3.31Å; P180-T246 WeakPolarHBondContact CG-OG1 3.4Å; P180-T247 HydrophobicContact CG-CG2 4.28Å
181	I	98.3	Very high	95.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-60.5	-54.9	177	-68.5	162.3	0	0	0	109.8	L160 L162 D177 L179 Y183 T184 M185 L197 F199 Y212 L215 L242	L160-I181 HydrophobicContact CD2-CG2 3.98Å; L162-I181 HydrophobicContact CD1-CD1 3.67Å; L162-I181 HydrophobicContact CD1-CG1 3.74Å; L162-I181 HydrophobicContact CD2-CD1 4.38Å; L162-I181 HydrophobicContact CD2-CG1 4.17Å; D177-I181 HydrophobicContact CB-CD1 4.27Å; D177-I181 WeakPolarHBondContact O-CB 3.43Å; D177-I181 WeakPolarHBondContact O-CD1 3.39Å; D177-I181 WeakPolarHBondContact O-CG1 3.3Å; D177-I181 PolarHBondContact O-N 3.17Å; L179-I181 PolarHBondContact O-N 3.18Å; I181-Y183 VanDerWaalsContact C-N 3.3Å; I181-Y183 PolarHBondContact O-N 2.88Å; I181-T184 PolarHBondContact O-N 3.22Å; I181-T184 VanDerWaalsContact O-N 3.15Å; I181-M185 HydrophobicContact CG2-CG 4.3Å; I181-M185 HydrophobicContact CG2-SD 3.75Å; I181-M185 WeakPolarHBondContact O-CG 3.43Å; I181-M185 PolarHBondContact O-N 3.03Å; I181-L197 HydrophobicContact CG2-CD1 4.33Å; I181-L197 HydrophobicContact CG2-CD2 3.82Å; I181-F199 HydrophobicContact CD1-CE1 4.44Å; I181-Y212 HydrophobicContact CD1-CD1 4.09Å; I181-Y212 HydrophobicContact CD1-CE1 4.3Å; I181-L215 HydrophobicContact CB-CD1 3.92Å; I181-L215 HydrophobicContact CD1-CD1 4.36Å; I181-L215 HydrophobicContact CG2-CD1 3.51Å; I181-L242 HydrophobicContact CG1-CD1 4.41Å; I181-L242 HydrophobicContact CG1-CD2 3.92Å
182	F	97.3	Very high	95.1	Very high	22 Å²	22	29.8 Å²	29.8	10%	0.096	15%	0.147	C	C	.	.	H	α-helix	trans	-57	-43.4	-178.7	173.9	-99.2	0	0	0	112.5	L178 L179 R186 L215 F273 S276	L178-F182 WeakPolarHBondContact O-CB 3.26Å; L178-F182 PolarHBondContact O-N 3.16Å; L179-F182 PolarHBondContact O-N 3.29Å; F182-R186 WeakPolarHBondContact O-CG 3.43Å; F182-R186 PolarHBondContact O-N 2.77Å; F182-L215 HydrophobicContact CB-CD2 4.43Å; F182-L215 HydrophobicContact CD2-CD2 4.44Å; F182-F273 HydrophobicContact CB-CD2 3.68Å; F182-F273 HydrophobicContact CB-CE2 4.07Å; F182-F273 HydrophobicContact CD1-CB 3.85Å; F182-F273 AromaticContact CD1-CD2 3.75Å; F182-F273 HydrophobicContact CD1-CD2 3.75Å; F182-F273 HydrophobicContact CD1-CG 4.29Å; F182-F273 HydrophobicContact CD2-CD2 4.11Å; F182-F273 HydrophobicContact CE1-CB 3.73Å; F182-F273 HydrophobicContact CE1-CD2 4.27Å; F182-F273 AromaticContact CG-CD2 3.61Å; F182-F273 HydrophobicContact CG-CD2 3.61Å; F182-F273 HydrophobicContact CG-CE2 4.38Å; F182-F273 HydrophobicContact CZ-CB 4.32Å; F182-S276 WeakPolarHBondContact CE2-OG 3.5Å
183	Y	95.1	Very high	94.8	Very high	61 Å²	61	32.1 Å²	32.1	24%	0.239	16%	0.16	C	C	.	.	H	α-helix	trans	-68	-43.8	178.1	-173.1	-94.8	0	0	0	111.5	L179 I181 M185 R186 Q187 M245 T246 E269	L179-Y183 WeakPolarHBondContact O-CB 3.49Å; L179-Y183 PolarHBondContact O-N 2.75Å; I181-Y183 VanDerWaalsContact C-N 3.3Å; I181-Y183 PolarHBondContact O-N 2.88Å; Y183-M185 PolarHBondContact O-N 2.9Å; Y183-R186 PolarHBondContact O-N 3.06Å; Y183-Q187 HydrophobicContact CD1-CG 4.25Å; Y183-Q187 HydrophobicContact CE1-CG 4.02Å; Y183-Q187 VanDerWaalsContact CE1-NE2 3.33Å; Y183-Q187 WeakPolarHBondContact O-CG 3.45Å; Y183-Q187 PolarHBondContact O-N 2.96Å; Y183-M245 HydrophobicContact CD1-CB 4.06Å; Y183-M245 HydrophobicContact CD1-CG 4.48Å; Y183-M245 HydrophobicContact CE1-CB 3.65Å; Y183-M245 HydrophobicContact CE1-CG 3.75Å; Y183-M245 HydrophobicContact CE2-CG 4.44Å; Y183-T246 HydrophobicContact CD1-CG2 4.4Å; Y183-T246 HydrophobicContact CD2-CG2 3.92Å; Y183-T246 HydrophobicContact CG-CG2 3.72Å; Y183-E269 HydrophobicContact CE2-CG 4.29Å
184	T	95.8	Very high	94.6	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-60.6	-45.2	178	-56.6	0	0	0	0	111.3	I84 L160 P180 I181 R186 Q187 Y188 S243	I84-T184 HydrophobicContact CD1-CG2 4.08Å; L160-T184 HydrophobicContact CD1-CG2 4.13Å; P180-T184 VanDerWaalsContact O-CB 3.24Å; P180-T184 WeakPolarHBondContact O-CB 3.46Å; P180-T184 PolarHBondContact O-N 3.14Å; P180-T184 PolarHBondContact O-OG1 2.95Å; I181-T184 PolarHBondContact O-N 3.22Å; I181-T184 VanDerWaalsContact O-N 3.15Å; T184-R186 VanDerWaalsContact C-N 3.26Å; T184-R186 PolarHBondContact O-N 2.68Å; T184-Q187 WeakPolarHBondContact O-CB 3.36Å; T184-Q187 PolarHBondContact O-N 2.83Å; T184-Y188 HydrophobicContact CG2-CD2 4.46Å; T184-Y188 HydrophobicContact CG2-CE2 4.19Å; T184-Y188 WeakPolarHBondContact O-CD2 3.48Å; T184-S243 WeakPolarHBondContact OG1-CB 3.42Å; T184-S243 PolarHBondContact OG1-N 3.21Å
185	M	95.6	Very high	94.4	Very high	15 Å²	15	36.1 Å²	36.1	7%	0.074	18%	0.179	C	C	.	.	H	α-helix	trans	-56.5	-41.7	176.5	-72.2	177.7	73.1	0	0	111.5	L160 I181 Y183 Q187 Y188 L191 D192 A195 L197	L160-M185 HydrophobicContact CD2-CG 4Å; I181-M185 HydrophobicContact CG2-CG 4.3Å; I181-M185 HydrophobicContact CG2-SD 3.75Å; I181-M185 WeakPolarHBondContact O-CG 3.43Å; I181-M185 PolarHBondContact O-N 3.03Å; Y183-M185 PolarHBondContact O-N 2.9Å; M185-Q187 VanDerWaalsContact C-N 3.26Å; M185-Q187 PolarHBondContact O-N 3.1Å; M185-Y188 PolarHBondContact O-N 2.88Å; M185-L191 CarbonylContact C-O 3.58Å; M185-L191 HydrophobicContact CB-CB 4.21Å; M185-L191 WeakPolarHBondContact CB-O 3.31Å; M185-L191 HydrophobicContact CG-CB 4.28Å; M185-L191 VanDerWaalsContact O-O 3.08Å; M185-D192 WeakPolarHBondContact CE-O 3.42Å; M185-A195 HydrophobicContact CE-CB 4.43Å; M185-L197 HydrophobicContact SD-CD2 4.27Å
186	R	91.6	Very high	94.4	Very high	137 Å²	137	36.2 Å²	36.2	52%	0.517	18%	0.179	S	C	.	.	H	α-helix	trans	-70.2	-14.8	177	-72.6	179.5	165.9	-163.4	-3.7	115.2	F182 Y183 T184 Y188 Q272	F182-R186 WeakPolarHBondContact O-CG 3.43Å; F182-R186 PolarHBondContact O-N 2.77Å; Y183-R186 PolarHBondContact O-N 3.06Å; T184-R186 VanDerWaalsContact C-N 3.26Å; T184-R186 PolarHBondContact O-N 2.68Å; R186-Y188 VanDerWaalsContact C-N 3.34Å; R186-Q272 VanDerWaalsContact NH1-OE1 3.16Å
187	Q	89.5	Confident	94.5	Very high	84 Å²	84	36 Å²	36	39%	0.393	18%	0.179	S	C	.	.	H	α-helix	trans	-78	-21.3	177.1	-68.1	-176.4	-51.5	0	0	112.9	Y183 T184 M185	Y183-Q187 HydrophobicContact CD1-CG 4.25Å; Y183-Q187 HydrophobicContact CE1-CG 4.02Å; Y183-Q187 VanDerWaalsContact CE1-NE2 3.33Å; Y183-Q187 WeakPolarHBondContact O-CG 3.45Å; Y183-Q187 PolarHBondContact O-N 2.96Å; T184-Q187 WeakPolarHBondContact O-CB 3.36Å; T184-Q187 PolarHBondContact O-N 2.83Å; M185-Q187 VanDerWaalsContact C-N 3.26Å; M185-Q187 PolarHBondContact O-N 3.1Å
188	Y	90.9	Very high	94.5	Very high	42 Å²	42	36 Å²	36	17%	0.165	18%	0.179	C	C	.	.	S	Bend	trans	-124.9	122.9	-174.1	-57.1	-81.3	0	0	0	109.8	T76 I84 T184 M185 R186 D190 L191 Y239	T76-Y188 PolarHBondContact OG1-OH 3.01Å; I84-Y188 HydrophobicContact CD1-CE2 4.39Å; I84-Y188 HydrophobicContact CG2-CE2 4.2Å; T184-Y188 HydrophobicContact CG2-CD2 4.46Å; T184-Y188 HydrophobicContact CG2-CE2 4.19Å; T184-Y188 WeakPolarHBondContact O-CD2 3.48Å; M185-Y188 PolarHBondContact O-N 2.88Å; R186-Y188 VanDerWaalsContact C-N 3.34Å; Y188-D190 PolarHBondContact O-N 3.32Å; Y188-L191 HydrophobicContact CD2-CD1 3.92Å; Y188-L191 HydrophobicContact CG-CD1 4.38Å; Y188-L191 PolarHBondContact O-N 3.49Å; Y188-Y239 HydrophobicContact CD1-CD1 4.08Å; Y188-Y239 AromaticContact CD1-CE1 3.31Å; Y188-Y239 HydrophobicContact CD1-CE1 3.31Å; Y188-Y239 AromaticContact CD1-CZ 3.89Å; Y188-Y239 HydrophobicContact CD2-CD1 4.08Å; Y188-Y239 HydrophobicContact CD2-CE1 4.05Å; Y188-Y239 HydrophobicContact CE1-CD1 4.18Å; Y188-Y239 AromaticContact CE1-CE1 3.69Å; Y188-Y239 HydrophobicContact CE1-CE1 3.69Å; Y188-Y239 HydrophobicContact CE2-CD1 4.2Å; Y188-Y239 HydrophobicContact CE2-CE1 4.38Å; Y188-Y239 HydrophobicContact CG-CD1 4.01Å; Y188-Y239 AromaticContact CG-CE1 3.51Å; Y188-Y239 HydrophobicContact CG-CE1 3.51Å; Y188-Y239 AromaticContact CG-CZ 3.89Å
189	S	88.9	Confident	94.5	Very high	125 Å²	125	36 Å²	36	87%	0.874	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67	-12.6	-170.1	59.3	0	0	0	0	114.9
190	D	90.7	Very high	94.4	Very high	31 Å²	31	36.6 Å²	36.6	17%	0.166	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.7	3.2	178.4	54.8	-4.5	0	0	0	113.3	V158 Y188 K237 Y239	V158-D190 WeakPolarHBondContact CG1-O 3.25Å; Y188-D190 PolarHBondContact O-N 3.32Å; D190-K237 WeakPolarHBondContact OD2-CE 3.12Å; D190-K237 IonicContact OD2-NZ 3.41Å; D190-K237 PolarHBondContact OD2-NZ 3.25Å; D190-Y239 VanDerWaalsContact OD1-CE2 3.29Å; D190-Y239 WeakPolarHBondContact OD1-CE2 3.45Å; D190-Y239 VanDerWaalsContact OD1-CZ 3.24Å; D190-Y239 PolarHBondContact OD1-OH 3.32Å; D190-Y239 PolarHBondContact OD2-OH 2.93Å
191	L	92.5	Very high	94.3	Very high	4 Å²	4	38.2 Å²	38.2	2%	0.021	19%	0.189	C	C	.	.			trans	-99	66.7	164.4	-74.6	180	0	0	0	109.7	V158 L160 M185 Y188 A195 Y239	V158-L191 HydrophobicContact CG1-CD2 3.87Å; L160-L191 HydrophobicContact CB-CD2 4.11Å; L160-L191 HydrophobicContact CD1-CD1 4.15Å; M185-L191 CarbonylContact C-O 3.58Å; M185-L191 HydrophobicContact CB-CB 4.21Å; M185-L191 WeakPolarHBondContact CB-O 3.31Å; M185-L191 HydrophobicContact CG-CB 4.28Å; M185-L191 VanDerWaalsContact O-O 3.08Å; Y188-L191 HydrophobicContact CD2-CD1 3.92Å; Y188-L191 HydrophobicContact CG-CD1 4.38Å; Y188-L191 PolarHBondContact O-N 3.49Å; L191-A195 HydrophobicContact CD2-CB 3.78Å; L191-Y239 HydrophobicContact CD1-CD1 4.3Å; L191-Y239 HydrophobicContact CD1-CD2 3.65Å; L191-Y239 HydrophobicContact CD1-CE2 4.21Å; L191-Y239 HydrophobicContact CD1-CG 3.68Å; L191-Y239 HydrophobicContact CD2-CD2 3.62Å; L191-Y239 HydrophobicContact CD2-CE2 4.2Å; L191-Y239 HydrophobicContact CD2-CG 4.35Å; L191-Y239 HydrophobicContact CG-CD2 3.5Å; L191-Y239 VanDerWaalsContact CG-CD2 3.5Å; L191-Y239 HydrophobicContact CG-CE2 3.77Å; L191-Y239 HydrophobicContact CG-CG 4.09Å
192	D	90.4	Very high	94.1	Very high	79 Å²	79	39.5 Å²	39.5	42%	0.422	20%	0.203	S	C	.	.	S	Bend	trans	-90.8	-167.2	175.1	60.5	21.6	0	0	0	111.7	M185 E194 A195	M185-D192 WeakPolarHBondContact CE-O 3.42Å; D192-E194 PolarHBondContact O-N 3.49Å; D192-E194 WeakPolarHBondContact OD1-CA 3.3Å; D192-E194 WeakPolarHBondContact OD1-CB 3.18Å; D192-E194 PolarHBondContact OD1-N 3.34Å; D192-A195 VanDerWaalsContact O-CB 3.29Å; D192-A195 WeakPolarHBondContact O-CB 3.34Å; D192-A195 PolarHBondContact O-N 2.9Å; D192-A195 VanDerWaalsContact O-N 3.08Å
193	D	90.8	Very high	93.9	Very high	69 Å²	69	43.7 Å²	43.7	37%	0.369	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-2.7	179.4	64.5	-29.4	0	0	0	113.8	S216 N217 K280	D193-S216 CarbonylContact O-C 3.57Å; D193-S216 WeakPolarHBondContact O-CA 3.42Å; D193-S216 PolarHBondContact O-OG 2.69Å; D193-N217 PolarHBondContact O-N 3.29Å; D193-N217 PolarHBondContact OD2-ND2 2.84Å; D193-K280 IonicContact OD2-NZ 3.61Å
194	E	93.1	Very high	93.8	Very high	81 Å²	81	43.2 Å²	43.2	38%	0.379	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-3.8	169.6	-64.6	-63.4	131.5	0	0	112.8	D192 N217 K218	D192-E194 PolarHBondContact O-N 3.49Å; D192-E194 WeakPolarHBondContact OD1-CA 3.3Å; D192-E194 WeakPolarHBondContact OD1-CB 3.18Å; D192-E194 PolarHBondContact OD1-N 3.34Å; E194-N217 WeakPolarHBondContact OE1-CB 3.29Å; E194-N217 PolarHBondContact OE1-ND2 3.19Å; E194-K218 WeakPolarHBondContact O-CE 3.36Å; E194-K218 WeakPolarHBondContact O-CG 3.5Å; E194-K218 VanDerWaalsContact OE2-CE 3.25Å; E194-K218 WeakPolarHBondContact OE2-CE 3.43Å; E194-K218 IonicContact OE2-NZ 2.89Å; E194-K218 PolarHBondContact OE2-NZ 2.86Å
195	A	95.8	Very high	93.7	Very high	2 Å²	2	45.5 Å²	45.5	2%	0.017	24%	0.242	C	C	.	.	S	Bend	trans	-72.4	140.3	175.1	0	0	0	0	0	111.6	V158 M185 L191 D192 S216	V158-A195 CarbonylContact O-C 3.54Å; V158-A195 WeakPolarHBondContact O-CA 3.35Å; V158-A195 WeakPolarHBondContact O-CB 3.23Å; M185-A195 HydrophobicContact CE-CB 4.43Å; L191-A195 HydrophobicContact CD2-CB 3.78Å; D192-A195 VanDerWaalsContact O-CB 3.29Å; D192-A195 WeakPolarHBondContact O-CB 3.34Å; D192-A195 PolarHBondContact O-N 2.9Å; D192-A195 VanDerWaalsContact O-N 3.08Å; A195-S216 VanDerWaalsContact O-CB 3.23Å; A195-S216 WeakPolarHBondContact O-CB 3.04Å; A195-S216 PolarHBondContact O-OG 3.4Å
196	R	97	Very high	93.4	Very high	3 Å²	3	46.8 Å²	46.8	1%	0.011	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	128	-179.2	-166.7	175.5	-59.3	-100.4	5.5	111.9	E51 D157 V158 T159 L160 K218 Q219 L221	E51-R196 IonicContact OE2-NH1 3.85Å; E51-R196 PolarHBondContact OE2-NH1 3.16Å; E51-R196 IonicContact OE2-NH2 3.76Å; D157-R196 HydrophobicContact CB-CB 4Å; D157-R196 IonicContact OD2-CZ 3.88Å; D157-R196 IonicContact OD2-NE 3.53Å; D157-R196 PolarHBondContact OD2-NE 2.87Å; D157-R196 IonicContact OD2-NH2 2.7Å; D157-R196 PolarHBondContact OD2-NH2 2.95Å; V158-R196 PolarHBondContact O-N 3.33Å; T159-R196 CarbonylContact C-O 3.59Å; T159-R196 WeakPolarHBondContact CA-O 3.39Å; T159-R196 HydrophobicContact CG2-CB 4.26Å; L160-R196 PolarHBondContact N-O 3.47Å; R196-K218 HydrophobicContact CB-CB 4.03Å; R196-K218 HydrophobicContact CB-CG 4.36Å; R196-K218 HydrophobicContact CG-CB 4.02Å; R196-Q219 WeakPolarHBondContact CD-O 3.13Å; R196-Q219 WeakPolarHBondContact CG-O 3.44Å; R196-Q219 PolarHBondContact NH1-O 3.11Å; R196-L221 HydrophobicContact CG-CG 4.38Å
197	L	98.4	Very high	93.3	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	138.2	170.6	-56.9	-177.2	0	0	0	110.3	L160 L162 I181 M185 F199 L215 P220 L221	L160-L197 HydrophobicContact CB-CD2 4.08Å; L160-L197 HydrophobicContact CD2-CD2 4.06Å; L162-L197 HydrophobicContact CD2-CD2 4.48Å; I181-L197 HydrophobicContact CG2-CD1 4.33Å; I181-L197 HydrophobicContact CG2-CD2 3.82Å; M185-L197 HydrophobicContact SD-CD2 4.27Å; L197-F199 HydrophobicContact CB-CE1 4.31Å; L197-F199 HydrophobicContact CB-CE2 4.46Å; L197-F199 HydrophobicContact CB-CZ 3.98Å; L197-F199 HydrophobicContact CD1-CZ 3.96Å; L197-L215 HydrophobicContact CD1-CB 4.33Å; L197-L215 HydrophobicContact CD1-CD1 4.49Å; L197-P220 HydrophobicContact CB-CB 4.03Å; L197-P220 HydrophobicContact CB-CG 4.28Å; L197-P220 CarbonylContact O-C 3.53Å; L197-P220 VanDerWaalsContact O-CA 3.23Å; L197-P220 WeakPolarHBondContact O-CA 3.37Å; L197-L221 PolarHBondContact O-N 3.23Å
198	V	98.3	Very high	93.5	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	118.6	177.6	-175.7	0	0	0	0	108.8	T159 L160 I161 L162 M200 L221 F235	T159-V198 HydrophobicContact CG2-CG2 4.06Å; L160-V198 PolarHBondContact O-N 3.2Å; I161-V198 WeakPolarHBondContact CA-O 3.25Å; I161-V198 HydrophobicContact CG1-CB 4.1Å; I161-V198 HydrophobicContact CG1-CG2 4.46Å; L162-V198 PolarHBondContact N-O 3.09Å; V198-M200 HydrophobicContact CG1-CG 4.43Å; V198-M200 HydrophobicContact CG1-SD 3.84Å; V198-L221 WeakPolarHBondContact CA-O 3.23Å; V198-L221 HydrophobicContact CG1-CB 4.38Å; V198-L221 HydrophobicContact CG2-CB 4.38Å; V198-L221 HydrophobicContact CG2-CD1 4.43Å; V198-F235 HydrophobicContact CG1-CE1 4.29Å; V198-F235 HydrophobicContact CG1-CZ 4.21Å; V198-F235 HydrophobicContact CG2-CE1 3.98Å
199	F	98.1	Very high	93.7	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	117.4	-175.7	-59.6	-50.8	0	0	0	110.7	L162 R164 I181 L197 E201 F209 Y212 P220 L221 L222 K223	L162-F199 HydrophobicContact CD1-CD1 4.12Å; L162-F199 HydrophobicContact CD1-CE1 3.89Å; L162-F199 HydrophobicContact CD2-CD1 4.33Å; L162-F199 HydrophobicContact CD2-CE1 4.05Å; L162-F199 HydrophobicContact CG-CD1 3.96Å; L162-F199 HydrophobicContact CG-CE1 4.01Å; L162-F199 WeakPolarHBondContact O-CA 3.14Å; R164-F199 HydrophobicContact CG-CD1 3.75Å; R164-F199 HydrophobicContact CG-CE1 3.89Å; R164-F199 HydrophobicContact CG-CG 4.2Å; R164-F199 HydrophobicContact CG-CZ 4.42Å; I181-F199 HydrophobicContact CD1-CE1 4.44Å; L197-F199 HydrophobicContact CB-CE1 4.31Å; L197-F199 HydrophobicContact CB-CE2 4.46Å; L197-F199 HydrophobicContact CB-CZ 3.98Å; L197-F199 HydrophobicContact CD1-CZ 3.96Å; F199-E201 WeakPolarHBondContact CB-OE2 3.5Å; F199-F209 AromaticContact CD2-CE2 3.84Å; F199-F209 HydrophobicContact CD2-CE2 3.84Å; F199-F209 HydrophobicContact CD2-CZ 4.31Å; F199-F209 AromaticContact CE2-CE2 3.65Å; F199-F209 HydrophobicContact CE2-CE2 3.65Å; F199-F209 HydrophobicContact CE2-CZ 4.12Å; F199-Y212 HydrophobicContact CE1-CD1 4.14Å; F199-Y212 HydrophobicContact CE2-CD1 4.33Å; F199-Y212 HydrophobicContact CE2-CG 4.38Å; F199-Y212 AromaticContact CZ-CD1 3.55Å; F199-Y212 HydrophobicContact CZ-CD1 3.55Å; F199-Y212 HydrophobicContact CZ-CE1 4.27Å; F199-Y212 AromaticContact CZ-CG 3.98Å; F199-Y212 HydrophobicContact CZ-CG 3.98Å; F199-P220 HydrophobicContact CD2-CB 4.07Å; F199-P220 HydrophobicContact CE2-CB 3.56Å; F199-P220 HydrophobicContact CE2-CG 4.18Å; F199-P220 HydrophobicContact CZ-CB 4.36Å; F199-L221 PolarHBondContact N-O 3.45Å; F199-L222 HydrophobicContact CB-CD2 4.07Å; F199-L222 HydrophobicContact CD2-CD2 3.83Å; F199-L222 HydrophobicContact CG-CD2 4.45Å; F199-K223 PolarHBondContact O-N 2.87Å
200	M	97.2	Very high	93.9	Very high	14 Å²	14	39.2 Å²	39.2	7%	0.069	24%	0.235	C	C	.	.			trans	-102.7	-0.2	-169.9	-65	-57.7	-58.9	0	0	114.7	Y92 F99 I161 L162 N163 V198 G202 K223 L226	Y92-M200 HydrophobicContact CD1-CE 4.2Å; Y92-M200 HydrophobicContact CD2-CE 3.79Å; Y92-M200 HydrophobicContact CE1-CE 3.89Å; Y92-M200 HydrophobicContact CE2-CE 3.47Å; Y92-M200 VanDerWaalsContact CE2-CE 3.47Å; Y92-M200 HydrophobicContact CG-CE 4.15Å; F99-M200 HydrophobicContact CE2-CE 3.78Å; F99-M200 HydrophobicContact CE2-CG 4.2Å; F99-M200 HydrophobicContact CZ-CE 3.65Å; F99-M200 HydrophobicContact CZ-CG 3.89Å; F99-M200 HydrophobicContact CZ-SD 3.96Å; I161-M200 HydrophobicContact CG2-CG 3.54Å; L162-M200 PolarHBondContact O-N 3.16Å; N163-M200 VanDerWaalsContact OD1-C 3.26Å; N163-M200 WeakPolarHBondContact OD1-CB 3.47Å; V198-M200 HydrophobicContact CG1-CG 4.43Å; V198-M200 HydrophobicContact CG1-SD 3.84Å; M200-G202 VanDerWaalsContact C-N 3.29Å; M200-G202 PolarHBondContact O-N 3.03Å; M200-K223 HydrophobicContact CE-CB 4.38Å; M200-K223 HydrophobicContact CE-CD 4.31Å; M200-K223 HydrophobicContact CE-CG 4.12Å; M200-K223 VanDerWaalsContact O-CD 3.22Å; M200-K223 WeakPolarHBondContact O-CD 3.39Å; M200-K223 HydrophobicContact SD-CB 4.43Å; M200-L226 HydrophobicContact CE-CD1 4.26Å; M200-L226 HydrophobicContact SD-CD1 4Å
201	E	94.6	Very high	94.2	Very high	33 Å²	33	38.4 Å²	38.4	15%	0.154	23%	0.23	C	C	.	.	S	Bend	trans	-74.6	-15.4	-176.4	70.9	-71.6	163.3	0	0	114.6	N163 R164 F199 W203	N163-E201 VanDerWaalsContact CA-OE2 3.31Å; N163-E201 WeakPolarHBondContact CA-OE2 3.47Å; N163-E201 HydrophobicContact CB-CB 4.07Å; N163-E201 PolarHBondContact OD1-N 3.11Å; N163-E201 VanDerWaalsContact OD1-N 3.13Å; R164-E201 IonicContact CZ-OE1 2.82Å; R164-E201 PolarHBondContact N-OE2 3.17Å; R164-E201 IonicContact NE-OE1 2.72Å; R164-E201 PolarHBondContact NE-OE1 2.82Å; R164-E201 IonicContact NH2-OE1 3.4Å; R164-E201 PolarHBondContact NH2-OE1 2.9Å; F199-E201 WeakPolarHBondContact CB-OE2 3.5Å; E201-W203 HydrophobicContact CB-CE3 4.46Å; E201-W203 HydrophobicContact CG-CB 4.06Å; E201-W203 HydrophobicContact CG-CD2 3.56Å; E201-W203 HydrophobicContact CG-CE3 3.38Å; E201-W203 HydrophobicContact CG-CG 3.85Å; E201-W203 HydrophobicContact CG-CZ3 4Å
202	G	93.4	Very high	94.4	Very high	28 Å²	28	38.2 Å²	38.2	29%	0.289	23%	0.229	S	C	.	.			trans	86.7	8.9	177.7	0	0	0	0	0	115.2	M200	M200-G202 VanDerWaalsContact C-N 3.29Å; M200-G202 PolarHBondContact O-N 3.03Å
203	W	93.2	Very high	94.7	Very high	109 Å²	109	37.1 Å²	37.1	41%	0.413	22%	0.219	S	C	.	.			trans	-80.6	151.5	173.3	-63.6	-24.9	0	0	0	112.3	R164 F165 P167 E201	R164-W203 HydrophobicContact CB-CE3 4.31Å; R164-W203 HydrophobicContact CB-CZ3 4.31Å; R164-W203 PolarHBondContact NH2-O 3.08Å; R164-W203 WeakPolarHBondContact O-CZ3 3.16Å; F165-W203 WeakPolarHBondContact O-CH2 3.49Å; P167-W203 HydrophobicContact CG-CD2 4.17Å; P167-W203 HydrophobicContact CG-CE3 3.39Å; P167-W203 HydrophobicContact CG-CZ3 3.86Å; E201-W203 HydrophobicContact CB-CE3 4.46Å; E201-W203 HydrophobicContact CG-CB 4.06Å; E201-W203 HydrophobicContact CG-CD2 3.56Å; E201-W203 HydrophobicContact CG-CE3 3.38Å; E201-W203 HydrophobicContact CG-CG 3.85Å; E201-W203 HydrophobicContact CG-CZ3 4Å
204	G	93.3	Very high	94.9	Very high	51 Å²	51	35.6 Å²	35.6	53%	0.526	21%	0.211	S	C	.	.			trans	-68.1	-173.7	168	0	0	0	0	0	112.2	R164 G206	R164-G204 PolarHBondContact NH1-O 3.05Å; R164-G204 VanDerWaalsContact NH1-O 3.16Å; R164-G204 PolarHBondContact NH2-O 3.44Å; G204-G206 PolarHBondContact O-N 2.97Å
205	E	93.3	Very high	95	Very high	49 Å²	49	32.7 Å²	32.7	23%	0.229	20%	0.198	C	C	.	.			trans	-58.3	-47.3	-178.6	-66.4	-158.9	165.1	0	0	112.2	Q44 R164 F209 R213 L222	Q44-E205 PolarHBondContact NE2-OE1 3.3Å; Q44-E205 PolarHBondContact OE1-OE1 2.91Å; R164-E205 PolarHBondContact NH1-O 3.03Å; E205-F209 HydrophobicContact CB-CB 3.67Å; E205-F209 HydrophobicContact CB-CD1 3.8Å; E205-F209 HydrophobicContact CB-CD2 3.97Å; E205-F209 HydrophobicContact CB-CE1 4.38Å; E205-F209 HydrophobicContact CB-CG 3.54Å; E205-F209 HydrophobicContact CG-CB 4.47Å; E205-F209 HydrophobicContact CG-CD1 3.62Å; E205-F209 HydrophobicContact CG-CD2 4.27Å; E205-F209 HydrophobicContact CG-CE1 3.77Å; E205-F209 HydrophobicContact CG-CE2 4.39Å; E205-F209 HydrophobicContact CG-CG 3.87Å; E205-F209 HydrophobicContact CG-CZ 4.14Å; E205-F209 VanDerWaalsContact O-CB 3.31Å; E205-F209 WeakPolarHBondContact O-CB 3.25Å; E205-F209 VanDerWaalsContact O-CD2 3.25Å; E205-F209 WeakPolarHBondContact O-CD2 2.96Å; E205-F209 WeakPolarHBondContact OE1-CE1 3.39Å; E205-R213 IonicContact OE1-NH2 3.91Å; E205-R213 PolarHBondContact OE1-NH2 2.87Å; E205-R213 IonicContact OE2-CZ 3.21Å; E205-R213 IonicContact OE2-NH1 3.05Å; E205-R213 IonicContact OE2-NH2 2.81Å; E205-R213 PolarHBondContact OE2-NH2 3.45Å; E205-L222 HydrophobicContact CG-CD1 3.95Å
206	G	90.9	Very high	95	Very high	41 Å²	41	33 Å²	33	42%	0.423	20%	0.199	S	C	.	.			trans	73.9	175.4	-177.3	0	0	0	0	0	112.8	G204 H208	G204-G206 PolarHBondContact O-N 2.97Å; G206-H208 PolarHBondContact O-N 3.06Å
207	A	88.2	Confident	94.8	Very high	83 Å²	83	36.9 Å²	36.9	69%	0.686	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-18.5	-169.2	0	0	0	0	0	114.7
208	H	93.8	Very high	94.5	Very high	41 Å²	41	39.2 Å²	39.2	19%	0.19	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.3	13.3	-172.8	-60.9	-38.4	0	0	0	113.4	P167 V173 G206 D210 L211 Y212	P167-H208 PolarHBondContact O-CD2 2.93Å; P167-H208 VanDerWaalsContact O-CD2 3.3Å; V173-H208 HydrophobicContact CG1-CB 4.29Å; V173-H208 HydrophobicContact CG2-CB 4.03Å; G206-H208 PolarHBondContact O-N 3.06Å; H208-D210 VanDerWaalsContact C-N 3.26Å; H208-D210 PolarHBondContact O-N 3.46Å; H208-L211 HydrophobicContact CB-CD1 4.26Å; H208-L211 WeakPolarHBondContact O-CB 3.37Å; H208-L211 PolarHBondContact O-N 3.36Å; H208-Y212 WeakPolarHBondContact O-CD2 3.4Å
209	F	95.3	Very high	94.2	Very high	4 Å²	4	41.6 Å²	41.6	2%	0.018	24%	0.242	C	C	.	.	H	α-helix	trans	-59.1	-34.7	-174.1	-158.6	-114.9	0	0	0	114.2	F199 E205 L211 Y212 R213 P220 L222	F199-F209 AromaticContact CD2-CE2 3.84Å; F199-F209 HydrophobicContact CD2-CE2 3.84Å; F199-F209 HydrophobicContact CD2-CZ 4.31Å; F199-F209 AromaticContact CE2-CE2 3.65Å; F199-F209 HydrophobicContact CE2-CE2 3.65Å; F199-F209 HydrophobicContact CE2-CZ 4.12Å; E205-F209 HydrophobicContact CB-CB 3.67Å; E205-F209 HydrophobicContact CB-CD1 3.8Å; E205-F209 HydrophobicContact CB-CD2 3.97Å; E205-F209 HydrophobicContact CB-CE1 4.38Å; E205-F209 HydrophobicContact CB-CG 3.54Å; E205-F209 HydrophobicContact CG-CB 4.47Å; E205-F209 HydrophobicContact CG-CD1 3.62Å; E205-F209 HydrophobicContact CG-CD2 4.27Å; E205-F209 HydrophobicContact CG-CE1 3.77Å; E205-F209 HydrophobicContact CG-CE2 4.39Å; E205-F209 HydrophobicContact CG-CG 3.87Å; E205-F209 HydrophobicContact CG-CZ 4.14Å; E205-F209 VanDerWaalsContact O-CB 3.31Å; E205-F209 WeakPolarHBondContact O-CB 3.25Å; E205-F209 VanDerWaalsContact O-CD2 3.25Å; E205-F209 WeakPolarHBondContact O-CD2 2.96Å; E205-F209 WeakPolarHBondContact OE1-CE1 3.39Å; F209-L211 PolarHBondContact O-N 3.15Å; F209-L211 VanDerWaalsContact O-N 3.1Å; F209-Y212 HydrophobicContact CD2-CD2 4.36Å; F209-Y212 WeakPolarHBondContact O-CB 3.08Å; F209-Y212 PolarHBondContact O-N 2.97Å; F209-R213 HydrophobicContact CD1-CG 4.34Å; F209-R213 HydrophobicContact CE1-CG 4.44Å; F209-R213 PolarHBondContact O-N 2.75Å; F209-P220 HydrophobicContact CE1-CB 4.49Å; F209-P220 HydrophobicContact CE1-CG 4.44Å; F209-P220 HydrophobicContact CZ-CB 3.86Å; F209-P220 HydrophobicContact CZ-CG 4.18Å; F209-L222 HydrophobicContact CE2-CD2 3.81Å; F209-L222 HydrophobicContact CZ-CD2 3.98Å; F209-L222 HydrophobicContact CZ-CG 4.39Å
210	D	94.1	Very high	94.1	Very high	102 Å²	102	41.6 Å²	41.6	55%	0.545	24%	0.242	S	C	.	.	H	α-helix	trans	-57.3	-27.1	178	-73.9	-27.4	0	0	0	112.8	H208 Y212 R213 L214	H208-D210 VanDerWaalsContact C-N 3.26Å; H208-D210 PolarHBondContact O-N 3.46Å; D210-Y212 VanDerWaalsContact C-N 3.34Å; D210-R213 WeakPolarHBondContact O-CB 3.5Å; D210-R213 PolarHBondContact O-N 2.94Å; D210-R213 IonicContact OD1-CZ 2.97Å; D210-R213 IonicContact OD1-NH1 2.74Å; D210-R213 PolarHBondContact OD1-NH1 3.49Å; D210-L214 WeakPolarHBondContact O-CG 3.23Å; D210-L214 PolarHBondContact O-N 3.26Å
211	L	96.3	Very high	94.1	Very high	13 Å²	13	41 Å²	41	7%	0.068	24%	0.239	C	C	.	.	H	α-helix	trans	-68.9	-33.9	176.7	-58.8	178.7	0	0	0	112.5	L170 V173 F174 L178 H208 F209 L214 F339	L170-L211 HydrophobicContact CD1-CD1 4.06Å; V173-L211 HydrophobicContact CG1-CD1 4.05Å; F174-L211 HydrophobicContact CE2-CD1 3.7Å; F174-L211 HydrophobicContact CZ-CD1 4.08Å; L178-L211 HydrophobicContact CD1-CB 3.72Å; L178-L211 HydrophobicContact CD1-CD1 4.16Å; L178-L211 HydrophobicContact CD2-CB 4.31Å; H208-L211 HydrophobicContact CB-CD1 4.26Å; H208-L211 WeakPolarHBondContact O-CB 3.37Å; H208-L211 PolarHBondContact O-N 3.36Å; F209-L211 PolarHBondContact O-N 3.15Å; F209-L211 VanDerWaalsContact O-N 3.1Å; L211-L214 HydrophobicContact CD2-CD1 4.16Å; L211-L214 WeakPolarHBondContact O-CB 3.05Å; L211-L214 PolarHBondContact O-N 2.92Å; L211-F339 HydrophobicContact CD1-CD1 4.49Å; L211-F339 HydrophobicContact CD1-CE1 4.4Å; L211-F339 HydrophobicContact CD2-CD1 3.54Å; L211-F339 HydrophobicContact CD2-CE1 3.81Å; L211-F339 HydrophobicContact CD2-CG 4.39Å
212	Y	97.3	Very high	94.1	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-71.6	-35.1	176.3	-58.3	-97.1	0	0	0	111	R164 V173 D177 L178 I181 F199 H208 F209 D210 L214 L215	R164-Y212 HydrophobicContact CG-CE1 3.72Å; V173-Y212 HydrophobicContact CG1-CE2 4.1Å; D177-Y212 HydrophobicContact CB-CE1 3.6Å; D177-Y212 PolarHBondContact OD2-OH 2.95Å; L178-Y212 HydrophobicContact CD2-CD1 3.72Å; L178-Y212 HydrophobicContact CD2-CD2 4.44Å; L178-Y212 HydrophobicContact CD2-CE1 4.09Å; L178-Y212 HydrophobicContact CD2-CG 3.95Å; I181-Y212 HydrophobicContact CD1-CD1 4.09Å; I181-Y212 HydrophobicContact CD1-CE1 4.3Å; F199-Y212 HydrophobicContact CE1-CD1 4.14Å; F199-Y212 HydrophobicContact CE2-CD1 4.33Å; F199-Y212 HydrophobicContact CE2-CG 4.38Å; F199-Y212 AromaticContact CZ-CD1 3.55Å; F199-Y212 HydrophobicContact CZ-CD1 3.55Å; F199-Y212 HydrophobicContact CZ-CE1 4.27Å; F199-Y212 AromaticContact CZ-CG 3.98Å; F199-Y212 HydrophobicContact CZ-CG 3.98Å; H208-Y212 WeakPolarHBondContact O-CD2 3.4Å; F209-Y212 HydrophobicContact CD2-CD2 4.36Å; F209-Y212 WeakPolarHBondContact O-CB 3.08Å; F209-Y212 PolarHBondContact O-N 2.97Å; D210-Y212 VanDerWaalsContact C-N 3.34Å; Y212-L214 PolarHBondContact O-N 3.48Å; Y212-L215 WeakPolarHBondContact O-CB 3.26Å; Y212-L215 PolarHBondContact O-N 3.4Å; Y212-L215 VanDerWaalsContact O-N 3.12Å
213	R	95.8	Very high	94.3	Very high	57 Å²	57	40.2 Å²	40.2	22%	0.215	23%	0.227	C	C	.	.	H	α-helix	trans	-61.8	-19.3	173.9	-66.7	179.5	171	133.8	4.3	113	E205 F209 D210 L215 Q219 P220	E205-R213 IonicContact OE1-NH2 3.91Å; E205-R213 PolarHBondContact OE1-NH2 2.87Å; E205-R213 IonicContact OE2-CZ 3.21Å; E205-R213 IonicContact OE2-NH1 3.05Å; E205-R213 IonicContact OE2-NH2 2.81Å; E205-R213 PolarHBondContact OE2-NH2 3.45Å; F209-R213 HydrophobicContact CD1-CG 4.34Å; F209-R213 HydrophobicContact CE1-CG 4.44Å; F209-R213 PolarHBondContact O-N 2.75Å; D210-R213 WeakPolarHBondContact O-CB 3.5Å; D210-R213 PolarHBondContact O-N 2.94Å; D210-R213 IonicContact OD1-CZ 2.97Å; D210-R213 IonicContact OD1-NH1 2.74Å; D210-R213 PolarHBondContact OD1-NH1 3.49Å; R213-L215 VanDerWaalsContact C-N 3.29Å; R213-Q219 VanDerWaalsContact NE-OE1 3.08Å; R213-P220 HydrophobicContact CG-CG 4.49Å
214	L	95.6	Very high	94.2	Very high	37 Å²	37	39 Å²	39	19%	0.194	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-17.2	177.1	-61.7	169.8	0	0	0	113.3	D210 L211 Y212 L277 K280 L281	D210-L214 WeakPolarHBondContact O-CG 3.23Å; D210-L214 PolarHBondContact O-N 3.26Å; L211-L214 HydrophobicContact CD2-CD1 4.16Å; L211-L214 WeakPolarHBondContact O-CB 3.05Å; L211-L214 PolarHBondContact O-N 2.92Å; Y212-L214 PolarHBondContact O-N 3.48Å; L214-L277 HydrophobicContact CB-CD1 3.87Å; L214-L277 HydrophobicContact CD1-CD1 3.58Å; L214-L277 HydrophobicContact CG-CD1 4.38Å; L214-K280 HydrophobicContact CB-CB 4.25Å; L214-K280 HydrophobicContact CD2-CB 4.23Å; L214-L281 HydrophobicContact CD1-CD2 3.44Å; L214-L281 VanDerWaalsContact CD1-CD2 3.44Å; L214-L281 HydrophobicContact CD1-CG 3.93Å; L214-L281 HydrophobicContact CD2-CD2 4.22Å; L214-L281 HydrophobicContact CG-CD2 4.5Å
215	L	95.8	Very high	94.1	Very high	20 Å²	20	37.2 Å²	37.2	11%	0.105	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-16.3	-176.6	-60.4	-178.3	0	0	0	113.2	L178 I181 F182 L197 Y212 R213	L178-L215 HydrophobicContact CD2-CD1 3.68Å; L178-L215 HydrophobicContact CD2-CG 4.3Å; I181-L215 HydrophobicContact CB-CD1 3.92Å; I181-L215 HydrophobicContact CD1-CD1 4.36Å; I181-L215 HydrophobicContact CG2-CD1 3.51Å; F182-L215 HydrophobicContact CB-CD2 4.43Å; F182-L215 HydrophobicContact CD2-CD2 4.44Å; L197-L215 HydrophobicContact CD1-CB 4.33Å; L197-L215 HydrophobicContact CD1-CD1 4.49Å; Y212-L215 WeakPolarHBondContact O-CB 3.26Å; Y212-L215 PolarHBondContact O-N 3.4Å; Y212-L215 VanDerWaalsContact O-N 3.12Å; R213-L215 VanDerWaalsContact C-N 3.29Å
216	S	94.9	Very high	94	Very high	7 Å²	7	34.9 Å²	34.9	5%	0.049	19%	0.193	C	C	.	.			trans	-148.5	146.9	-177.8	174.4	0	0	0	0	111.4	D193 A195 K218	D193-S216 CarbonylContact O-C 3.57Å; D193-S216 WeakPolarHBondContact O-CA 3.42Å; D193-S216 PolarHBondContact O-OG 2.69Å; A195-S216 VanDerWaalsContact O-CB 3.23Å; A195-S216 WeakPolarHBondContact O-CB 3.04Å; A195-S216 PolarHBondContact O-OG 3.4Å; S216-K218 PolarHBondContact O-N 3.39Å; S216-K218 PolarHBondContact OG-N 3.5Å
217	N	92.4	Very high	93.9	Very high	85 Å²	85	37.9 Å²	37.9	46%	0.455	19%	0.192	S	C	.	.	S	Bend	trans	-75.3	-11.1	171	-57	-29.9	0	0	0	111.7	D193 E194	D193-N217 PolarHBondContact O-N 3.29Å; D193-N217 PolarHBondContact OD2-ND2 2.84Å; E194-N217 WeakPolarHBondContact OE1-CB 3.29Å; E194-N217 PolarHBondContact OE1-ND2 3.19Å
218	K	93.4	Very high	94	Very high	50 Å²	50	39.1 Å²	39.1	22%	0.217	19%	0.187	C	C	.	.	S	Bend	trans	-91	141	172.7	-56.4	-56.1	-176.1	-151.8	0	111.1	E194 R196 S216 P220	E194-K218 WeakPolarHBondContact O-CE 3.36Å; E194-K218 WeakPolarHBondContact O-CG 3.5Å; E194-K218 VanDerWaalsContact OE2-CE 3.25Å; E194-K218 WeakPolarHBondContact OE2-CE 3.43Å; E194-K218 IonicContact OE2-NZ 2.89Å; E194-K218 PolarHBondContact OE2-NZ 2.86Å; R196-K218 HydrophobicContact CB-CB 4.03Å; R196-K218 HydrophobicContact CB-CG 4.36Å; R196-K218 HydrophobicContact CG-CB 4.02Å; S216-K218 PolarHBondContact O-N 3.39Å; S216-K218 PolarHBondContact OG-N 3.5Å; K218-P220 WeakPolarHBondContact O-CD 3.24Å
219	Q	91.6	Very high	93.8	Very high	50 Å²	50	38.9 Å²	38.9	23%	0.234	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-63.7	127.8	170.3	-71.1	-59.4	-46.2	0	0	111	Q48 R196 R213	Q48-Q219 HydrophobicContact CG-CB 4.08Å; Q48-Q219 HydrophobicContact CG-CG 4.47Å; R196-Q219 WeakPolarHBondContact CD-O 3.13Å; R196-Q219 WeakPolarHBondContact CG-O 3.44Å; R196-Q219 PolarHBondContact NH1-O 3.11Å; R213-Q219 VanDerWaalsContact NE-OE1 3.08Å
220	P	96.1	Very high	93.5	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-59	146.9	172.1	-23.3	33.7	0	0	0	111.9	Q48 L197 F199 F209 R213 K218	Q48-P220 PolarHBondContact NE2-O 3.04Å; L197-P220 HydrophobicContact CB-CB 4.03Å; L197-P220 HydrophobicContact CB-CG 4.28Å; L197-P220 CarbonylContact O-C 3.53Å; L197-P220 VanDerWaalsContact O-CA 3.23Å; L197-P220 WeakPolarHBondContact O-CA 3.37Å; F199-P220 HydrophobicContact CD2-CB 4.07Å; F199-P220 HydrophobicContact CE2-CB 3.56Å; F199-P220 HydrophobicContact CE2-CG 4.18Å; F199-P220 HydrophobicContact CZ-CB 4.36Å; F209-P220 HydrophobicContact CE1-CB 4.49Å; F209-P220 HydrophobicContact CE1-CG 4.44Å; F209-P220 HydrophobicContact CZ-CB 3.86Å; F209-P220 HydrophobicContact CZ-CG 4.18Å; R213-P220 HydrophobicContact CG-CG 4.49Å; K218-P220 WeakPolarHBondContact O-CD 3.24Å
221	L	95.9	Very high	93.5	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.01	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	135.2	173	-58.5	177.6	0	0	0	110.3	R196 L197 V198 F199 L226 F229	R196-L221 HydrophobicContact CG-CG 4.38Å; L197-L221 PolarHBondContact O-N 3.23Å; V198-L221 WeakPolarHBondContact CA-O 3.23Å; V198-L221 HydrophobicContact CG1-CB 4.38Å; V198-L221 HydrophobicContact CG2-CB 4.38Å; V198-L221 HydrophobicContact CG2-CD1 4.43Å; F199-L221 PolarHBondContact N-O 3.45Å; L221-L226 HydrophobicContact CB-CD2 4.23Å; L221-L226 HydrophobicContact CD1-CD2 4.09Å; L221-F229 HydrophobicContact CD2-CE2 4.05Å; L221-F229 HydrophobicContact CD2-CZ 4.38Å
222	L	96.4	Very high	93.5	Very high	10 Å²	10	39 Å²	39	5%	0.052	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	145.5	170.7	-56.4	176	0	0	0	110.3	F199 E205 F209 E224 Q225 L226	F199-L222 HydrophobicContact CB-CD2 4.07Å; F199-L222 HydrophobicContact CD2-CD2 3.83Å; F199-L222 HydrophobicContact CG-CD2 4.45Å; E205-L222 HydrophobicContact CG-CD1 3.95Å; F209-L222 HydrophobicContact CE2-CD2 3.81Å; F209-L222 HydrophobicContact CZ-CD2 3.98Å; F209-L222 HydrophobicContact CZ-CG 4.39Å; L222-E224 PolarHBondContact O-N 3.32Å; L222-E224 VanDerWaalsContact O-N 3.16Å; L222-Q225 HydrophobicContact CB-CG 4.02Å; L222-Q225 WeakPolarHBondContact O-CB 3.48Å; L222-Q225 PolarHBondContact O-N 2.79Å; L222-L226 PolarHBondContact O-N 3.21Å
223	K	95.9	Very high	93.5	Very high	33 Å²	33	39 Å²	39	14%	0.143	19%	0.185	C	C	.	.	H	α-helix	trans	-45.4	-47.2	175.7	176.4	174.9	160.3	176.7	0	113.1	Y92 E97 F199 M200 Q225 L226	Y92-K223 WeakPolarHBondContact OH-CE 3.42Å; E97-K223 WeakPolarHBondContact OE2-CE 3.4Å; E97-K223 IonicContact OE2-NZ 2.74Å; E97-K223 PolarHBondContact OE2-NZ 2.64Å; F199-K223 PolarHBondContact O-N 2.87Å; M200-K223 HydrophobicContact CE-CB 4.38Å; M200-K223 HydrophobicContact CE-CD 4.31Å; M200-K223 HydrophobicContact CE-CG 4.12Å; M200-K223 VanDerWaalsContact O-CD 3.22Å; M200-K223 WeakPolarHBondContact O-CD 3.39Å; M200-K223 HydrophobicContact SD-CB 4.43Å; K223-Q225 VanDerWaalsContact C-N 3.27Å; K223-Q225 PolarHBondContact O-N 3.49Å; K223-L226 VanDerWaalsContact O-CB 3.3Å; K223-L226 WeakPolarHBondContact O-CB 3.21Å; K223-L226 PolarHBondContact O-N 3.41Å; K223-L226 VanDerWaalsContact O-N 3.13Å
224	E	91.2	Very high	93.6	Very high	83 Å²	83	36.3 Å²	36.3	39%	0.388	18%	0.175	S	C	.	.	H	α-helix	trans	-67	-28.1	-177.2	-66.7	-53.6	130.5	0	0	112.9	L222 L226 R227	L222-E224 PolarHBondContact O-N 3.32Å; L222-E224 VanDerWaalsContact O-N 3.16Å; E224-L226 VanDerWaalsContact C-N 3.3Å; E224-L226 PolarHBondContact O-N 2.96Å; E224-R227 IonicContact OE1-CZ 2.74Å; E224-R227 IonicContact OE1-NE 2.74Å; E224-R227 IonicContact OE1-NH2 3.59Å; E224-R227 PolarHBondContact OE1-NH2 3.4Å; E224-R227 IonicContact OE2-CZ 3.15Å; E224-R227 IonicContact OE2-NE 2.72Å; E224-R227 PolarHBondContact OE2-NE 3.16Å; E224-R227 IonicContact OE2-NH2 3.82Å; E224-R227 PolarHBondContact OE2-NH2 2.89Å
225	Q	91	Very high	93.7	Very high	15 Å²	15	34.5 Å²	34.5	7%	0.07	17%	0.166	C	C	.	.	H	α-helix	trans	-72.1	-25.5	176.1	-61.7	173.4	-34.4	0	0	112	L45 L222 K223 R227 N228 F229	L45-Q225 HydrophobicContact CD2-CB 4.22Å; L45-Q225 HydrophobicContact CD2-CG 3.89Å; L222-Q225 HydrophobicContact CB-CG 4.02Å; L222-Q225 WeakPolarHBondContact O-CB 3.48Å; L222-Q225 PolarHBondContact O-N 2.79Å; K223-Q225 VanDerWaalsContact C-N 3.27Å; K223-Q225 PolarHBondContact O-N 3.49Å; Q225-R227 PolarHBondContact O-N 2.66Å; Q225-N228 WeakPolarHBondContact O-CB 3.47Å; Q225-N228 PolarHBondContact O-N 2.79Å; Q225-F229 HydrophobicContact CB-CE2 4.27Å; Q225-F229 WeakPolarHBondContact O-CD2 3.44Å
226	L	92.3	Very high	93.7	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-59.7	-35.2	-179.2	-60	-175.8	0	0	0	112.4	Y92 T94 M200 L221 L222 K223 E224 N228 F229 G230 M233 F235	Y92-L226 HydrophobicContact CD1-CD1 3.75Å; Y92-L226 HydrophobicContact CE1-CD1 4.05Å; T94-L226 HydrophobicContact CG2-CB 4Å; M200-L226 HydrophobicContact CE-CD1 4.26Å; M200-L226 HydrophobicContact SD-CD1 4Å; L221-L226 HydrophobicContact CB-CD2 4.23Å; L221-L226 HydrophobicContact CD1-CD2 4.09Å; L222-L226 PolarHBondContact O-N 3.21Å; K223-L226 VanDerWaalsContact O-CB 3.3Å; K223-L226 WeakPolarHBondContact O-CB 3.21Å; K223-L226 PolarHBondContact O-N 3.41Å; K223-L226 VanDerWaalsContact O-N 3.13Å; E224-L226 VanDerWaalsContact C-N 3.3Å; E224-L226 PolarHBondContact O-N 2.96Å; L226-N228 PolarHBondContact O-N 2.96Å; L226-F229 HydrophobicContact CD2-CD2 4.39Å; L226-F229 PolarHBondContact O-N 3.1Å; L226-F229 VanDerWaalsContact O-N 3.13Å; L226-G230 PolarHBondContact O-N 3.32Å; L226-M233 HydrophobicContact CB-CG 4.1Å; L226-M233 HydrophobicContact CD2-CG 4.46Å; L226-F235 HydrophobicContact CD1-CZ 4.4Å
227	R	89.8	Confident	93.8	Very high	103 Å²	103	36.9 Å²	36.9	39%	0.389	18%	0.176	S	C	.	.	H	α-helix	trans	-58.1	-30.2	177	-59.6	179.7	-159.3	-108.2	-2.3	112.4	E97 E224 Q225	E97-R227 IonicContact OE1-CZ 2.73Å; E97-R227 IonicContact OE1-NH1 2.71Å; E97-R227 PolarHBondContact OE1-NH1 3.15Å; E97-R227 IonicContact OE1-NH2 3.79Å; E97-R227 PolarHBondContact OE1-NH2 2.82Å; E224-R227 IonicContact OE1-CZ 2.74Å; E224-R227 IonicContact OE1-NE 2.74Å; E224-R227 IonicContact OE1-NH2 3.59Å; E224-R227 PolarHBondContact OE1-NH2 3.4Å; E224-R227 IonicContact OE2-CZ 3.15Å; E224-R227 IonicContact OE2-NE 2.72Å; E224-R227 PolarHBondContact OE2-NE 3.16Å; E224-R227 IonicContact OE2-NH2 3.82Å; E224-R227 PolarHBondContact OE2-NH2 2.89Å; Q225-R227 PolarHBondContact O-N 2.66Å
228	N	88.9	Confident	94.1	Very high	109 Å²	109	32.9 Å²	32.9	58%	0.583	16%	0.155	S	C	*	.	H	α-helix	trans	-78.6	-23.8	-177.4	-61.2	-21.9	0	0	0	112.4	Q225 L226	Q225-N228 WeakPolarHBondContact O-CB 3.47Å; Q225-N228 PolarHBondContact O-N 2.79Å; L226-N228 PolarHBondContact O-N 2.96Å
229	F	89.1	Confident	94.4	Very high	37 Å²	37	30.8 Å²	30.8	16%	0.162	15%	0.146	C	C	.	.	H	α-helix	trans	-85.2	-39.9	179.4	-59	-55.7	0	0	0	112.2	Q48 V153 L221 Q225 L226 M233	Q48-F229 HydrophobicContact CB-CZ 4.22Å; V153-F229 HydrophobicContact CG1-CB 4.5Å; L221-F229 HydrophobicContact CD2-CE2 4.05Å; L221-F229 HydrophobicContact CD2-CZ 4.38Å; Q225-F229 HydrophobicContact CB-CE2 4.27Å; Q225-F229 WeakPolarHBondContact O-CD2 3.44Å; L226-F229 HydrophobicContact CD2-CD2 4.39Å; L226-F229 PolarHBondContact O-N 3.1Å; L226-F229 VanDerWaalsContact O-N 3.13Å; F229-M233 HydrophobicContact CB-CE 3.73Å; F229-M233 HydrophobicContact CB-SD 3.64Å; F229-M233 HydrophobicContact CD2-CE 4.13Å; F229-M233 HydrophobicContact CG-CE 4.27Å
230	G	89.6	Confident	94.7	Very high	17 Å²	17	28.4 Å²	28.4	18%	0.175	14%	0.135	C	C	.	.			trans	172.9	166.1	178.2	0	0	0	0	0	113.2	T94 L226 L232	T94-G230 WeakPolarHBondContact CG2-O 3.26Å; T94-G230 PolarHBondContact OG1-O 3.3Å; L226-G230 PolarHBondContact O-N 3.32Å; G230-L232 VanDerWaalsContact C-N 3.33Å; G230-L232 PolarHBondContact O-N 2.91Å
231	K	94.9	Very high	94.7	Very high	104 Å²	104	28.4 Å²	28.4	45%	0.452	14%	0.135	S	C	.	.	S	Bend	trans	-74.8	-22.2	-176.8	-63.4	-178.2	174.5	-153.5	0	114.1	T94 E95 P150	T94-K231 PolarHBondContact N-O 3.42Å; T94-K231 WeakPolarHBondContact OG1-CA 3.29Å; T94-K231 PolarHBondContact OG1-O 3.26Å; E95-K231 HydrophobicContact CG-CD 4.46Å; E95-K231 HydrophobicContact CG-CG 4.44Å; E95-K231 VanDerWaalsContact OE1-CD 3.27Å; E95-K231 WeakPolarHBondContact OE1-CD 3.5Å; E95-K231 WeakPolarHBondContact OE1-CE 3.48Å; E95-K231 IonicContact OE1-NZ 3.82Å; E95-K231 PolarHBondContact OE1-NZ 2.72Å; P150-K231 HydrophobicContact CB-CB 3.67Å; P150-K231 HydrophobicContact CB-CD 4.29Å; P150-K231 HydrophobicContact CG-CB 3.73Å; P150-K231 HydrophobicContact CG-CD 4.07Å
232	L	96.5	Very high	94.7	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	99.1	179.4	-178.2	64.5	0	0	0	108.6	C91 L146 M149 P150 P152 V153 G230	C91-L232 HydrophobicContact CB-CD1 3.85Å; L146-L232 HydrophobicContact CD2-CD2 4.18Å; M149-L232 HydrophobicContact CB-CD2 4.16Å; M149-L232 HydrophobicContact CE-CD1 4.19Å; M149-L232 HydrophobicContact CE-CD2 4.39Å; P150-L232 HydrophobicContact CB-CB 4.41Å; P152-L232 CarbonylContact C-O 3.49Å; P152-L232 WeakPolarHBondContact CA-O 3.43Å; P152-L232 HydrophobicContact CB-CD2 4.34Å; P152-L232 HydrophobicContact CG-CD2 3.92Å; V153-L232 PolarHBondContact N-O 3.39Å; G230-L232 VanDerWaalsContact C-N 3.33Å; G230-L232 PolarHBondContact O-N 2.91Å
233	M	97.2	Very high	94.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	135.1	175.2	-61.5	-57	-66.2	0	0	109	C91 Y92 T94 V153 V155 L226 F229	C91-M233 CarbonylContact C-O 3.51Å; C91-M233 WeakPolarHBondContact CA-O 3.34Å; C91-M233 WeakPolarHBondContact CB-O 3.21Å; Y92-M233 PolarHBondContact N-O 3.12Å; Y92-M233 PolarHBondContact O-N 2.95Å; T94-M233 HydrophobicContact CG2-CG 4.2Å; V153-M233 HydrophobicContact CB-CE 4.21Å; V153-M233 HydrophobicContact CB-SD 3.72Å; V153-M233 HydrophobicContact CG1-CE 3.82Å; V153-M233 HydrophobicContact CG1-SD 3.92Å; V153-M233 HydrophobicContact CG2-SD 4.48Å; V153-M233 CarbonylContact O-C 3.58Å; V153-M233 WeakPolarHBondContact O-CA 3.38Å; V155-M233 HydrophobicContact CG2-CE 3.75Å; L226-M233 HydrophobicContact CB-CG 4.1Å; L226-M233 HydrophobicContact CD2-CG 4.46Å; F229-M233 HydrophobicContact CB-CE 3.73Å; F229-M233 HydrophobicContact CB-SD 3.64Å; F229-M233 HydrophobicContact CD2-CE 4.13Å; F229-M233 HydrophobicContact CG-CE 4.27Å
234	C	97.5	Very high	94.2	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	114	178.2	-68.4	0	0	0	0	110.7	L90 C91 V153 F154 V155 T236	L90-C234 CarbonylContact O-C 3.55Å; C91-C234 HydrophobicContact CB-CB 4.16Å; C91-C234 WeakPolarHBondContact CB-SG 3.44Å; C91-C234 WeakPolarHBondContact SG-CB 3.38Å; C91-C234 CovalentContact SG-SG 2.05Å; C91-C234 PolarHBondContact SG-SG 2.95Å; V153-C234 PolarHBondContact O-N 2.93Å; F154-C234 CarbonylContact C-O 3.51Å; F154-C234 VanDerWaalsContact CA-O 3.26Å; F154-C234 WeakPolarHBondContact CA-O 3.48Å; F154-C234 HydrophobicContact CD1-CB 3.62Å; F154-C234 HydrophobicContact CE1-CB 3.7Å; V155-C234 PolarHBondContact N-O 3.25Å; C234-T236 PolarHBondContact O-N 2.94Å
235	F	97.6	Very high	94	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	114	178.6	-55.8	-84.6	0	0	0	108.6	Y89 L90 F99 V155 T159 I161 V198 L226 K237	Y89-F235 CarbonylContact C-O 3.53Å; Y89-F235 WeakPolarHBondContact CA-O 3.42Å; Y89-F235 PolarHBondContact N-O 3.08Å; Y89-F235 VanDerWaalsContact N-O 3.17Å; L90-F235 PolarHBondContact N-O 2.73Å; L90-F235 WeakPolarHBondContact O-CD2 3.47Å; L90-F235 PolarHBondContact O-N 2.99Å; F99-F235 HydrophobicContact CE1-CE2 4.15Å; V155-F235 HydrophobicContact CB-CD1 3.76Å; V155-F235 HydrophobicContact CB-CE1 4.2Å; V155-F235 HydrophobicContact CG1-CD1 4.05Å; V155-F235 HydrophobicContact CG1-CE1 4.4Å; V155-F235 HydrophobicContact CG2-CD1 3.86Å; V155-F235 HydrophobicContact CG2-CE1 3.83Å; T159-F235 HydrophobicContact CG2-CD1 3.74Å; T159-F235 HydrophobicContact CG2-CE1 4.35Å; I161-F235 HydrophobicContact CD1-CD1 4.47Å; I161-F235 HydrophobicContact CD1-CD2 3.98Å; I161-F235 HydrophobicContact CD1-CE2 4.15Å; I161-F235 HydrophobicContact CD1-CG 4.16Å; I161-F235 HydrophobicContact CD1-CZ 4.46Å; V198-F235 HydrophobicContact CG1-CE1 4.29Å; V198-F235 HydrophobicContact CG1-CZ 4.21Å; V198-F235 HydrophobicContact CG2-CE1 3.98Å; L226-F235 HydrophobicContact CD1-CZ 4.4Å; F235-K237 PolarHBondContact O-N 3.23Å
236	T	95.9	Very high	94.1	Very high	21 Å²	21	26.6 Å²	26.6	13%	0.129	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	-35.4	-177	56.6	0	0	0	0	111.5	I57 D88 Y89 F154 V155 P156 C234	I57-T236 HydrophobicContact CD1-CG2 3.36Å; D88-T236 WeakPolarHBondContact CA-O 3.29Å; Y89-T236 HydrophobicContact CD1-CG2 4.42Å; Y89-T236 HydrophobicContact CE1-CG2 3.98Å; Y89-T236 PolarHBondContact N-O 3.2Å; F154-T236 HydrophobicContact CB-CG2 4.34Å; F154-T236 HydrophobicContact CD1-CG2 4.25Å; V155-T236 PolarHBondContact O-N 3.08Å; V155-T236 VanDerWaalsContact O-N 3.1Å; V155-T236 PolarHBondContact O-OG1 3.45Å; V155-T236 VanDerWaalsContact O-OG1 3.14Å; P156-T236 PolarHBondContact O-OG1 2.99Å; C234-T236 PolarHBondContact O-N 2.94Å
237	K	97.4	Very high	94.2	Very high	56 Å²	56	26.8 Å²	26.8	24%	0.243	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	122.3	174.6	-168.9	171.4	-179.5	-176.8	0	110.6	F87 V158 T159 D190 F235	F87-K237 WeakPolarHBondContact O-CA 3.42Å; V158-K237 WeakPolarHBondContact CA-O 3.49Å; V158-K237 HydrophobicContact CG1-CD 4.44Å; V158-K237 HydrophobicContact CG1-CG 4.32Å; V158-K237 HydrophobicContact CG2-CD 4.17Å; T159-K237 PolarHBondContact N-O 2.56Å; T159-K237 PolarHBondContact OG1-O 3.24Å; D190-K237 WeakPolarHBondContact OD2-CE 3.12Å; D190-K237 IonicContact OD2-NZ 3.41Å; D190-K237 PolarHBondContact OD2-NZ 3.25Å; F235-K237 PolarHBondContact O-N 3.23Å
238	S	98.3	Very high	94.4	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	136.9	-177.3	62.6	0	0	0	0	112.5	R86 F87 T159	R86-S238 CarbonylContact C-O 3.52Å; R86-S238 WeakPolarHBondContact CA-O 3.38Å; F87-S238 PolarHBondContact N-O 3.05Å; F87-S238 PolarHBondContact O-N 3.36Å; T159-S238 CarbonylContact O-C 3.55Å; T159-S238 VanDerWaalsContact O-CA 3.3Å; T159-S238 WeakPolarHBondContact O-CA 3.23Å; T159-S238 WeakPolarHBondContact OG1-CA 3.28Å; T159-S238 WeakPolarHBondContact OG1-CB 3.38Å
239	Y	98.6	Very high	94.7	Very high	7 Å²	7	17 Å²	17	3%	0.027	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	134.7	161.7	-69	-92.5	0	0	0	108.8	C85 R86 V158 T159 L160 I161 Y188 D190 L191	C85-Y239 CarbonylContact O-C 3.59Å; C85-Y239 WeakPolarHBondContact O-CA 3.04Å; R86-Y239 HydrophobicContact CB-CD1 3.98Å; R86-Y239 HydrophobicContact CB-CE1 3.77Å; R86-Y239 WeakPolarHBondContact CD-OH 3.26Å; R86-Y239 HydrophobicContact CG-CD1 4.18Å; R86-Y239 HydrophobicContact CG-CE1 3.79Å; R86-Y239 HydrophobicContact CG-CE2 4.28Å; V158-Y239 HydrophobicContact CG1-CD2 4.09Å; V158-Y239 HydrophobicContact CG1-CE2 4.01Å; T159-Y239 PolarHBondContact O-N 2.82Å; L160-Y239 CarbonylContact C-O 3.5Å; L160-Y239 WeakPolarHBondContact CA-O 3.25Å; I161-Y239 PolarHBondContact N-O 3.48Å; Y188-Y239 HydrophobicContact CD1-CD1 4.08Å; Y188-Y239 AromaticContact CD1-CE1 3.31Å; Y188-Y239 HydrophobicContact CD1-CE1 3.31Å; Y188-Y239 AromaticContact CD1-CZ 3.89Å; Y188-Y239 HydrophobicContact CD2-CD1 4.08Å; Y188-Y239 HydrophobicContact CD2-CE1 4.05Å; Y188-Y239 HydrophobicContact CE1-CD1 4.18Å; Y188-Y239 AromaticContact CE1-CE1 3.69Å; Y188-Y239 HydrophobicContact CE1-CE1 3.69Å; Y188-Y239 HydrophobicContact CE2-CD1 4.2Å; Y188-Y239 HydrophobicContact CE2-CE1 4.38Å; Y188-Y239 HydrophobicContact CG-CD1 4.01Å; Y188-Y239 AromaticContact CG-CE1 3.51Å; Y188-Y239 HydrophobicContact CG-CE1 3.51Å; Y188-Y239 AromaticContact CG-CZ 3.89Å; D190-Y239 VanDerWaalsContact OD1-CE2 3.29Å; D190-Y239 WeakPolarHBondContact OD1-CE2 3.45Å; D190-Y239 VanDerWaalsContact OD1-CZ 3.24Å; D190-Y239 PolarHBondContact OD1-OH 3.32Å; D190-Y239 PolarHBondContact OD2-OH 2.93Å; L191-Y239 HydrophobicContact CD1-CD1 4.3Å; L191-Y239 HydrophobicContact CD1-CD2 3.65Å; L191-Y239 HydrophobicContact CD1-CE2 4.21Å; L191-Y239 HydrophobicContact CD1-CG 3.68Å; L191-Y239 HydrophobicContact CD2-CD2 3.62Å; L191-Y239 HydrophobicContact CD2-CE2 4.2Å; L191-Y239 HydrophobicContact CD2-CG 4.35Å; L191-Y239 HydrophobicContact CG-CD2 3.5Å; L191-Y239 VanDerWaalsContact CG-CD2 3.5Å; L191-Y239 HydrophobicContact CG-CE2 3.77Å; L191-Y239 HydrophobicContact CG-CG 4.09Å
240	V	98.4	Very high	94.9	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	126.9	-176.8	-168.6	0	0	0	0	109.2	C85 F87 L90 L123 L125 F136 I161	C85-V240 PolarHBondContact N-O 3.45Å; C85-V240 VanDerWaalsContact N-O 3.07Å; C85-V240 PolarHBondContact O-N 2.81Å; F87-V240 HydrophobicContact CD2-CB 4.41Å; F87-V240 HydrophobicContact CD2-CG2 3.6Å; F87-V240 HydrophobicContact CE2-CB 4.07Å; F87-V240 HydrophobicContact CE2-CG2 3.64Å; L90-V240 HydrophobicContact CD2-CG2 3.96Å; L123-V240 HydrophobicContact CD1-CG1 4.09Å; L123-V240 HydrophobicContact CD2-CB 4.41Å; L123-V240 HydrophobicContact CD2-CG1 4.45Å; L123-V240 WeakPolarHBondContact CD2-O 3.26Å; L125-V240 HydrophobicContact CD2-CG1 3.55Å; F136-V240 HydrophobicContact CD1-CG1 3.99Å; F136-V240 HydrophobicContact CD2-CG1 3.74Å; F136-V240 HydrophobicContact CE1-CG1 4Å; F136-V240 HydrophobicContact CE2-CG1 3.73Å; F136-V240 HydrophobicContact CG-CG1 3.86Å; F136-V240 HydrophobicContact CZ-CG1 3.88Å; F136-V240 HydrophobicContact CZ-CG2 4.39Å; I161-V240 HydrophobicContact CB-CG1 4.37Å; I161-V240 HydrophobicContact CB-CG2 4.19Å; I161-V240 HydrophobicContact CD1-CG2 4.24Å; I161-V240 HydrophobicContact CG2-CG1 4.47Å; I161-V240 WeakPolarHBondContact O-CA 3.47Å
241	G	96.4	Very high	94.8	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.081	C	C	.	.	S	Bend	trans	98.8	170.9	-176	0	0	0	0	0	113.7	D124 I161	D124-G241 WeakPolarHBondContact O-CA 3.27Å; I161-G241 PolarHBondContact O-N 2.59Å; I161-G241 VanDerWaalsContact O-N 3.1Å
242	L	95.3	Very high	94.4	Very high	4 Å²	4	12.2 Å²	12.2	2%	0.021	6%	0.059	C	C	.	.			trans	-129.1	150	-176.3	-65.6	176.2	0	0	0	112.4	L160 L162 P180 I181	L160-L242 HydrophobicContact CD2-CD2 4.12Å; L162-L242 HydrophobicContact CB-CD1 4.07Å; L162-L242 HydrophobicContact CB-CD2 4.03Å; L162-L242 HydrophobicContact CB-CG 3.88Å; L162-L242 HydrophobicContact CD1-CD1 3.66Å; L162-L242 HydrophobicContact CD1-CD2 4.19Å; L162-L242 HydrophobicContact CD1-CG 4.26Å; L162-L242 HydrophobicContact CD2-CD2 4.28Å; L162-L242 HydrophobicContact CG-CD1 4.45Å; L162-L242 HydrophobicContact CG-CD2 4.39Å; P180-L242 HydrophobicContact CB-CB 4.31Å; P180-L242 HydrophobicContact CB-CD1 4.15Å; I181-L242 HydrophobicContact CG1-CD1 4.41Å; I181-L242 HydrophobicContact CG1-CD2 3.92Å
243	S	91.5	Very high	93.8	Very high	15 Å²	15	15.6 Å²	15.6	11%	0.105	7%	0.074	C	C	.	.			trans	-72.6	128.2	167.6	-168.6	0	0	0	0	111.2	P180 T184 M245	P180-S243 WeakPolarHBondContact CB-O 3.44Å; T184-S243 WeakPolarHBondContact OG1-CB 3.42Å; T184-S243 PolarHBondContact OG1-N 3.21Å; S243-M245 VanDerWaalsContact C-N 3.3Å; S243-M245 WeakPolarHBondContact OG-CB 3.47Å; S243-M245 PolarHBondContact OG-N 3.44Å
244	K	90.4	Very high	93	Very high	21 Å²	21	21.4 Å²	21.4	9%	0.091	11%	0.109	C	C	.	.			trans	-88.3	-0.3	175.8	-57.9	-174.6	177.8	166.1	0	113.6	T81 D124 S126 S127 E129 T246 T247	T81-K244 WeakPolarHBondContact O-CD 3.34Å; T81-K244 WeakPolarHBondContact O-CE 3.31Å; T81-K244 PolarHBondContact O-NZ 3.34Å; T81-K244 VanDerWaalsContact O-NZ 3.15Å; T81-K244 PolarHBondContact OG1-NZ 2.63Å; D124-K244 IonicContact OD2-NZ 3.41Å; D124-K244 PolarHBondContact OD2-NZ 2.59Å; S126-K244 WeakPolarHBondContact O-CE 3.49Å; S127-K244 VanDerWaalsContact O-CD 3.25Å; S127-K244 WeakPolarHBondContact O-CD 3.45Å; S127-K244 WeakPolarHBondContact O-CE 3.41Å; S127-K244 WeakPolarHBondContact O-CG 3.3Å; E129-K244 HydrophobicContact CG-CD 3.6Å; K244-T246 PolarHBondContact O-N 3.3Å; K244-T246 VanDerWaalsContact O-N 3.09Å; K244-T247 PolarHBondContact O-N 3.29Å; K244-T247 PolarHBondContact O-OG1 2.94Å
245	M	88.3	Confident	92.5	Very high	62 Å²	62	26.5 Å²	26.5	31%	0.305	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51	-37.4	-174.4	-178.5	68	68.1	0	0	112.6	Y183 S243 L264 V265	Y183-M245 HydrophobicContact CD1-CB 4.06Å; Y183-M245 HydrophobicContact CD1-CG 4.48Å; Y183-M245 HydrophobicContact CE1-CB 3.65Å; Y183-M245 HydrophobicContact CE1-CG 3.75Å; Y183-M245 HydrophobicContact CE2-CG 4.44Å; S243-M245 VanDerWaalsContact C-N 3.3Å; S243-M245 WeakPolarHBondContact OG-CB 3.47Å; S243-M245 PolarHBondContact OG-N 3.44Å; M245-L264 HydrophobicContact CE-CD1 3.9Å; M245-L264 HydrophobicContact CG-CB 4.49Å; M245-L264 HydrophobicContact SD-CB 3.19Å; M245-L264 WeakPolarHBondContact SD-CB 3.49Å; M245-L264 HydrophobicContact SD-CD1 3.55Å; M245-L264 VanDerWaalsContact SD-CD1 3.55Å; M245-L264 HydrophobicContact SD-CG 4Å; M245-V265 WeakPolarHBondContact O-CB 3.42Å; M245-V265 PolarHBondContact O-N 3.42Å
246	T	92.8	Very high	92.1	Very high	2 Å²	2	29 Å²	29	1%	0.012	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-2.9	-175	52.3	0	0	0	0	115	P180 Y183 K244 W248 V265	P180-T246 WeakPolarHBondContact CA-OG1 3.29Å; P180-T246 WeakPolarHBondContact CD-OG1 3.31Å; P180-T246 WeakPolarHBondContact CG-OG1 3.4Å; Y183-T246 HydrophobicContact CD1-CG2 4.4Å; Y183-T246 HydrophobicContact CD2-CG2 3.92Å; Y183-T246 HydrophobicContact CG-CG2 3.72Å; K244-T246 PolarHBondContact O-N 3.3Å; K244-T246 VanDerWaalsContact O-N 3.09Å; T246-W248 VanDerWaalsContact O-CE3 3.28Å; T246-V265 HydrophobicContact CG2-CG2 4.44Å
247	T	94.3	Very high	91.9	Very high	4 Å²	4	29.9 Å²	29.9	3%	0.025	15%	0.152	C	C	.	.			trans	-86.1	138.9	-179.1	62.2	0	0	0	0	111.1	P180 K244 K260	P180-T247 HydrophobicContact CG-CG2 4.28Å; K244-T247 PolarHBondContact O-N 3.29Å; K244-T247 PolarHBondContact O-OG1 2.94Å; T247-K260 PolarHBondContact OG1-NZ 3.31Å
248	W	94.6	Very high	91.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.144	C	C	.	.			trans	-126	-13.5	-178.5	65.8	85.8	0	0	0	114.2	H175 L179 T246 K260 I263 V265 I270 L364 P387 T390 L391 L394	H175-W248 HydrophobicContact CB-CH2 4.3Å; H175-W248 AromaticContact CD2-CD2 3.47Å; H175-W248 VanDerWaalsContact CD2-CD2 3.47Å; H175-W248 AromaticContact CD2-CE2 3.54Å; H175-W248 AromaticContact CD2-CE3 3.45Å; H175-W248 VanDerWaalsContact CD2-CE3 3.45Å; H175-W248 AromaticContact CD2-CH2 3.59Å; H175-W248 AromaticContact CD2-CZ2 3.62Å; H175-W248 AromaticContact CD2-CZ3 3.5Å; H175-W248 VanDerWaalsContact CD2-CZ3 3.5Å; H175-W248 WeakPolarHBondContact CD2-CZ3 3.23Å; H175-W248 AromaticContact NE2-CD2 3.72Å; H175-W248 AromaticContact NE2-CE3 3.87Å; H175-W248 AromaticContact NE2-CG 3.99Å; H175-W248 PolarHBondContact NE2-N 3.15Å; L179-W248 HydrophobicContact CD1-CH2 4.05Å; L179-W248 HydrophobicContact CD1-CZ3 3.71Å; T246-W248 VanDerWaalsContact O-CE3 3.28Å; W248-K260 PolarHBondContact O-N 2.92Å; W248-I263 HydrophobicContact CB-CD1 4.19Å; W248-I263 HydrophobicContact CB-CG1 4.35Å; W248-I263 HydrophobicContact CB-CG2 3.95Å; W248-V265 HydrophobicContact CB-CG1 4.21Å; W248-V265 HydrophobicContact CE3-CG1 4.46Å; W248-I270 HydrophobicContact CE3-CD1 4.3Å; W248-I270 HydrophobicContact CZ3-CD1 3.75Å; W248-L364 HydrophobicContact CH2-CD2 4.1Å; W248-P387 PolarHBondContact NE1-O 3.46Å; W248-T390 HydrophobicContact CB-CG2 4.12Å; W248-T390 HydrophobicContact CG-CG2 4.17Å; W248-L391 HydrophobicContact CH2-CD1 4.27Å; W248-L391 HydrophobicContact CZ2-CB 4.03Å; W248-L391 HydrophobicContact CZ2-CD1 4.13Å; W248-L391 HydrophobicContact CZ2-CD2 4.16Å; W248-L391 HydrophobicContact CZ2-CG 4.33Å; W248-L394 HydrophobicContact CB-CD2 4.43Å
249	Y	94.7	Very high	91.3	Very high	6 Å²	6	30.4 Å²	30.4	2%	0.024	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	150.7	-177	-157.9	-103.2	0	0	0	111.5	H175 Y251 Q257 G258 Q384 T386 P387	H175-Y249 PolarHBondContact CE1-O 2.87Å; H175-Y249 VanDerWaalsContact CE1-O 3.29Å; H175-Y249 PolarHBondContact NE2-N 3.44Å; H175-Y249 VanDerWaalsContact NE2-N 3.11Å; Y249-Y251 HydrophobicContact CD1-CD1 4.07Å; Y249-Y251 AromaticContact CD1-CE1 3.98Å; Y249-Y251 HydrophobicContact CD1-CE1 3.98Å; Y249-Y251 HydrophobicContact CE1-CD1 4.36Å; Y249-Q257 HydrophobicContact CE1-CB 4.43Å; Y249-G258 VanDerWaalsContact CD2-C 3.46Å; Y249-G258 WeakPolarHBondContact CD2-O 3.14Å; Y249-G258 VanDerWaalsContact CE2-CA 3.44Å; Y249-G258 PolarHBondContact OH-N 3.38Å; Y249-Q384 PolarHBondContact OH-O 3.12Å; Y249-T386 PolarHBondContact OH-N 2.78Å; Y249-P387 HydrophobicContact CD1-CB 3.99Å; Y249-P387 VanDerWaalsContact CD2-CA 3.49Å; Y249-P387 HydrophobicContact CD2-CB 3.88Å; Y249-P387 HydrophobicContact CE1-CB 4.26Å; Y249-P387 HydrophobicContact CE1-CG 4.47Å; Y249-P387 HydrophobicContact CE2-CB 4.17Å; Y249-P387 HydrophobicContact CG-CB 3.79Å
250	Q	92.1	Very high	90.9	Very high	37 Å²	37	31.6 Å²	31.6	17%	0.173	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	141.1	172	61.9	75.8	20.4	0	0	110.4	P256 Q257 G258 K260	Q250-P256 PolarHBondContact NE2-O 3.11Å; Q250-Q257 WeakPolarHBondContact O-CA 3.24Å; Q250-Q257 WeakPolarHBondContact O-CB 3.37Å; Q250-G258 WeakPolarHBondContact CG-O 3.16Å; Q250-G258 PolarHBondContact N-O 3.19Å; Q250-G258 PolarHBondContact O-N 3.05Å; Q250-K260 HydrophobicContact CB-CG 4.2Å; Q250-K260 HydrophobicContact CG-CG 4.42Å
251	Y	89.1	Confident	90	Very high	22 Å²	22	36.3 Å²	36.3	9%	0.086	21%	0.206	C	C	.	.			trans	-93	0.7	-167.1	-52	-75.3	0	0	0	114.3	M171 H172 H175 D176 Y249 F253 Q257 C447	M171-Y251 HydrophobicContact CE-CE1 3.84Å; M171-Y251 WeakPolarHBondContact CE-OH 3.32Å; M171-Y251 HydrophobicContact SD-CE1 3.7Å; M171-Y251 PolarHBondContact SD-OH 2.88Å; H172-Y251 AromaticContact CE1-CD1 3.65Å; H172-Y251 AromaticContact CE1-CD2 3.64Å; H172-Y251 AromaticContact CE1-CE1 3.35Å; H172-Y251 WeakPolarHBondContact CE1-CE1 3.5Å; H172-Y251 AromaticContact CE1-CE2 3.33Å; H172-Y251 WeakPolarHBondContact CE1-CE2 3.2Å; H172-Y251 AromaticContact CE1-CG 3.77Å; H172-Y251 AromaticContact CE1-CZ 3.16Å; H172-Y251 AromaticContact ND1-CE1 3.88Å; H172-Y251 AromaticContact ND1-CE2 3.5Å; H172-Y251 WeakPolarHBondContact ND1-CE2 3.37Å; H172-Y251 AromaticContact ND1-CZ 3.29Å; H172-Y251 VanDerWaalsContact ND1-CZ 3.29Å; H172-Y251 PolarHBondContact ND1-OH 2.81Å; H175-Y251 PolarHBondContact ND1-OH 3.5Å; H175-Y251 VanDerWaalsContact ND1-OH 3.13Å; D176-Y251 VanDerWaalsContact OD2-CE2 3.27Å; D176-Y251 WeakPolarHBondContact OD2-CE2 3.44Å; D176-Y251 PolarHBondContact OD2-OH 3.47Å; Y249-Y251 HydrophobicContact CD1-CD1 4.07Å; Y249-Y251 AromaticContact CD1-CE1 3.98Å; Y249-Y251 HydrophobicContact CD1-CE1 3.98Å; Y249-Y251 HydrophobicContact CE1-CD1 4.36Å; Y251-F253 HydrophobicContact CD2-CE2 4.2Å; Y251-Q257 VanDerWaalsContact C-CB 3.47Å; Y251-Q257 WeakPolarHBondContact O-CB 3.24Å; Y251-C447 WeakPolarHBondContact O-CB 3.19Å; Y251-C447 PolarHBondContact O-SG 3.07Å
252	G	85.4	Confident	89.1	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.241	C	C	.	.			trans	88.7	42.5	169.2	0	0	0	0	0	116.5	Q255 L446 C447	G252-Q255 CarbonylContact C-O 3.28Å; G252-Q255 WeakPolarHBondContact CA-O 3.32Å; G252-L446 CarbonylContact O-C 2.85Å; G252-L446 WeakPolarHBondContact O-CA 3.36Å; G252-C447 PolarHBondContact O-N 2.77Å
253	F	83.3	Confident	88.5	Confident	70 Å²	70	45.2 Å²	45.2	31%	0.307	25%	0.254	S	S	.	.	S	Bend	trans	-70.4	-34.2	175.4	-65.9	-72	0	0	0	113.4	V128 H131 F165 Y251 C447	V128-F253 HydrophobicContact CG1-CD2 4.23Å; V128-F253 HydrophobicContact CG1-CE2 3.96Å; H131-F253 AromaticContact CD2-CE1 3.96Å; F165-F253 HydrophobicContact CE1-CZ 4.4Å; F165-F253 AromaticContact CZ-CE2 3.86Å; F165-F253 HydrophobicContact CZ-CE2 3.86Å; F165-F253 AromaticContact CZ-CZ 3.6Å; F165-F253 HydrophobicContact CZ-CZ 3.6Å; Y251-F253 HydrophobicContact CD2-CE2 4.2Å; F253-C447 HydrophobicContact CD1-CB 4.35Å; F253-C447 HydrophobicContact CE1-CB 4.27Å
254	V	81.7	Confident	88.2	Confident	122 Å²	122	50.2 Å²	50.2	74%	0.739	28%	0.278	S	S	*	.	S	Bend	trans	-117.2	-29.2	-176.5	-175.8	0	0	0	0	112.3
255	Q	87.3	Confident	88	Confident	108 Å²	108	49.5 Å²	49.5	51%	0.505	28%	0.276	S	S	.	.	S	Bend	trans	-135.2	167.4	178.2	62.3	179.7	27.5	0	0	108.7	G252 L446	G252-Q255 CarbonylContact C-O 3.28Å; G252-Q255 WeakPolarHBondContact CA-O 3.32Å; Q255-L446 WeakPolarHBondContact O-CD2 3.41Å
256	P	89.3	Confident	88.1	Confident	53 Å²	53	47.6 Å²	47.6	34%	0.344	27%	0.268	S	S	.	.			trans	-57.4	145	175.4	-26.8	36	0	0	0	112.8	Q250 R444 H445	Q250-P256 PolarHBondContact NE2-O 3.11Å; P256-R444 HydrophobicContact CB-CB 3.94Å; P256-R444 HydrophobicContact CB-CG 4.39Å; P256-R444 HydrophobicContact CG-CB 4.06Å; P256-H445 WeakPolarHBondContact CA-O 3.34Å
257	Q	90.4	Very high	87.9	Confident	38 Å²	38	47.5 Å²	47.5	18%	0.178	27%	0.268	C	S	.	.	S	Bend	trans	-59.4	151.6	-178	68.2	-178.2	-73.6	0	0	113.2	Y249 Q250 Y251 Y385 H445	Y249-Q257 HydrophobicContact CE1-CB 4.43Å; Q250-Q257 WeakPolarHBondContact O-CA 3.24Å; Q250-Q257 WeakPolarHBondContact O-CB 3.37Å; Y251-Q257 VanDerWaalsContact C-CB 3.47Å; Y251-Q257 WeakPolarHBondContact O-CB 3.24Å; Q257-Y385 VanDerWaalsContact CD-CE1 3.49Å; Q257-Y385 HydrophobicContact CG-CD1 3.93Å; Q257-Y385 HydrophobicContact CG-CE1 3.95Å; Q257-Y385 VanDerWaalsContact NE2-CE1 3.3Å; Q257-H445 PolarHBondContact NE2-NE2 3.22Å
258	G	92.1	Very high	87.6	Confident	7 Å²	7	50.6 Å²	50.6	7%	0.072	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163.7	-177.7	-175.7	0	0	0	0	0	113.7	Y249 Q250	Y249-G258 VanDerWaalsContact CD2-C 3.46Å; Y249-G258 WeakPolarHBondContact CD2-O 3.14Å; Y249-G258 VanDerWaalsContact CE2-CA 3.44Å; Y249-G258 PolarHBondContact OH-N 3.38Å; Q250-G258 WeakPolarHBondContact CG-O 3.16Å; Q250-G258 PolarHBondContact N-O 3.19Å; Q250-G258 PolarHBondContact O-N 3.05Å
259	P	92.4	Very high	87.3	Confident	61 Å²	61	53.5 Å²	53.5	40%	0.396	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	146.4	175.1	-17.6	30.6	0	0	0	111	I263 T390	P259-I263 HydrophobicContact CB-CD1 4.33Å; P259-T390 HydrophobicContact CB-CG2 4.17Å; P259-T390 WeakPolarHBondContact CG-OG1 3.22Å
260	K	88.9	Confident	87.4	Confident	32 Å²	32	53.2 Å²	53.2	14%	0.139	30%	0.297	C	S	.	.			trans	-65.5	145.9	172.7	-66.8	-177.3	68	156.3	0	109.9	E129 T247 W248 Q250 N262 I263	E129-K260 VanDerWaalsContact CD-NZ 3.3Å; E129-K260 WeakPolarHBondContact OE1-CE 3.18Å; E129-K260 IonicContact OE1-NZ 3.21Å; E129-K260 PolarHBondContact OE1-NZ 3.37Å; E129-K260 IonicContact OE2-NZ 2.8Å; T247-K260 PolarHBondContact OG1-NZ 3.31Å; W248-K260 PolarHBondContact O-N 2.92Å; Q250-K260 HydrophobicContact CB-CG 4.2Å; Q250-K260 HydrophobicContact CG-CG 4.42Å; K260-N262 VanDerWaalsContact C-N 3.33Å; K260-N262 PolarHBondContact O-N 3.14Å; K260-I263 HydrophobicContact CB-CG1 4.12Å; K260-I263 WeakPolarHBondContact O-CG1 3.41Å
261	A	78.9	Confident	87.6	Confident	98 Å²	98	53.2 Å²	53.2	81%	0.81	30%	0.295	S	S	*	.	S	Bend	trans	-65.9	-35.8	-179.8	0	0	0	0	0	112.6
262	N	78.1	Confident	87.8	Confident	136 Å²	136	56.9 Å²	56.9	73%	0.727	31%	0.313	S	S	*	.	S	Bend	trans	-121	80.5	-179.9	-67.6	-33.6	0	0	0	110	K260 L264	K260-N262 VanDerWaalsContact C-N 3.33Å; K260-N262 PolarHBondContact O-N 3.14Å; N262-L264 PolarHBondContact O-N 3.15Å
263	I	83.9	Confident	88.4	Confident	56 Å²	56	56.9 Å²	56.9	29%	0.287	31%	0.313	S	S	.	.			trans	-77.9	118	174.3	-57.8	172.7	0	0	0	108.3	W248 P259 K260 V265 T390 L394	W248-I263 HydrophobicContact CB-CD1 4.19Å; W248-I263 HydrophobicContact CB-CG1 4.35Å; W248-I263 HydrophobicContact CB-CG2 3.95Å; P259-I263 HydrophobicContact CB-CD1 4.33Å; K260-I263 HydrophobicContact CB-CG1 4.12Å; K260-I263 WeakPolarHBondContact O-CG1 3.41Å; I263-V265 HydrophobicContact CG2-CG1 3.73Å; I263-T390 HydrophobicContact CD1-CG2 3.52Å; I263-L394 HydrophobicContact CG2-CD2 3.67Å
264	L	83.3	Confident	89.1	Confident	119 Å²	119	53.7 Å²	53.7	62%	0.623	30%	0.3	S	S	*	.			trans	-99.9	-24.8	-178.5	-57.5	177	0	0	0	112.9	M245 N262	M245-L264 HydrophobicContact CE-CD1 3.9Å; M245-L264 HydrophobicContact CG-CB 4.49Å; M245-L264 HydrophobicContact SD-CB 3.19Å; M245-L264 WeakPolarHBondContact SD-CB 3.49Å; M245-L264 HydrophobicContact SD-CD1 3.55Å; M245-L264 VanDerWaalsContact SD-CD1 3.55Å; M245-L264 HydrophobicContact SD-CG 4Å; N262-L264 PolarHBondContact O-N 3.15Å
265	V	87.8	Confident	89.8	Confident	6 Å²	6	51 Å²	51	4%	0.036	29%	0.287	C	S	.	.			trans	-69.9	143.7	178.2	64.8	0	0	0	0	112	M245 T246 W248 I263 E269 I270 L394	M245-V265 WeakPolarHBondContact O-CB 3.42Å; M245-V265 PolarHBondContact O-N 3.42Å; T246-V265 HydrophobicContact CG2-CG2 4.44Å; W248-V265 HydrophobicContact CB-CG1 4.21Å; W248-V265 HydrophobicContact CE3-CG1 4.46Å; I263-V265 HydrophobicContact CG2-CG1 3.73Å; V265-E269 HydrophobicContact CG2-CB 4Å; V265-I270 HydrophobicContact CG2-CD1 3.91Å; V265-I270 HydrophobicContact CG2-CG1 3.96Å; V265-L394 HydrophobicContact CG1-CD1 4.01Å; V265-L394 HydrophobicContact CG1-CD2 4.38Å
266	S	89.3	Confident	90.1	Very high	22 Å²	22	47.3 Å²	47.3	15%	0.154	27%	0.272	C	S	.	.			trans	-110.5	166.7	167.5	85.9	0	0	0	0	110.5	N268 E269 I270 P395	S266-N268 PolarHBondContact O-N 2.71Å; S266-N268 VanDerWaalsContact O-N 3.11Å; S266-N268 WeakPolarHBondContact OG-CB 3.29Å; S266-N268 PolarHBondContact OG-N 3.06Å; S266-N268 VanDerWaalsContact OG-N 3.16Å; S266-E269 VanDerWaalsContact CA-OE2 3.28Å; S266-E269 WeakPolarHBondContact CA-OE2 3.33Å; S266-E269 VanDerWaalsContact CB-OE2 3.23Å; S266-E269 WeakPolarHBondContact CB-OE2 3.1Å; S266-E269 PolarHBondContact N-OE2 2.8Å; S266-E269 PolarHBondContact O-N 3.29Å; S266-E269 VanDerWaalsContact O-OE2 3.05Å; S266-E269 PolarHBondContact OG-OE2 2.53Å; S266-I270 PolarHBondContact O-N 2.87Å; S266-P395 WeakPolarHBondContact CB-O 3.48Å
267	G	89.4	Confident	90.5	Very high	0 Å²	0	45 Å²	45	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-62	-15.9	173	0	0	0	0	0	113.5	R271 P395	G267-R271 VanDerWaalsContact O-CB 3.26Å; G267-R271 WeakPolarHBondContact O-CB 3.36Å; G267-R271 WeakPolarHBondContact O-CG 3.37Å; G267-R271 PolarHBondContact O-N 2.76Å; G267-P395 PolarHBondContact N-O 2.86Å
268	N	86.9	Confident	90.7	Very high	69 Å²	69	43.9 Å²	43.9	37%	0.369	25%	0.252	S	S	.	.	H	α-helix	trans	-69.6	-45.7	175.9	-66.2	-39.6	0	0	0	112.1	S266 I270 R271 Q272	S266-N268 PolarHBondContact O-N 2.71Å; S266-N268 VanDerWaalsContact O-N 3.11Å; S266-N268 WeakPolarHBondContact OG-CB 3.29Å; S266-N268 PolarHBondContact OG-N 3.06Å; S266-N268 VanDerWaalsContact OG-N 3.16Å; N268-I270 VanDerWaalsContact C-N 3.29Å; N268-I270 PolarHBondContact O-N 3.32Å; N268-R271 PolarHBondContact O-N 2.91Å; N268-Q272 WeakPolarHBondContact O-CB 3.46Å; N268-Q272 VanDerWaalsContact O-CG 3.28Å; N268-Q272 WeakPolarHBondContact O-CG 3.4Å; N268-Q272 PolarHBondContact O-N 3.06Å
269	E	88.6	Confident	90.8	Very high	62 Å²	62	50.4 Å²	50.4	29%	0.29	28%	0.281	S	S	.	.	H	α-helix	trans	-61.9	-43.3	176.7	-68.7	71.7	-147.9	0	0	110.2	Y183 V265 S266 R271 Q272 F273	Y183-E269 HydrophobicContact CE2-CG 4.29Å; V265-E269 HydrophobicContact CG2-CB 4Å; S266-E269 VanDerWaalsContact CA-OE2 3.28Å; S266-E269 WeakPolarHBondContact CA-OE2 3.33Å; S266-E269 VanDerWaalsContact CB-OE2 3.23Å; S266-E269 WeakPolarHBondContact CB-OE2 3.1Å; S266-E269 PolarHBondContact N-OE2 2.8Å; S266-E269 PolarHBondContact O-N 3.29Å; S266-E269 VanDerWaalsContact O-OE2 3.05Å; S266-E269 PolarHBondContact OG-OE2 2.53Å; E269-R271 PolarHBondContact O-N 2.94Å; E269-Q272 PolarHBondContact O-N 3.02Å; E269-F273 PolarHBondContact O-N 3.08Å
270	I	96.9	Very high	90.9	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-58.8	-48.1	176	-63.1	-56.1	0	0	0	111.8	L179 W248 V265 S266 N268 Q272 F273 A274 L364 L391 L394 M397	L179-I270 HydrophobicContact CD1-CD1 3.61Å; L179-I270 HydrophobicContact CD2-CD1 3.79Å; L179-I270 HydrophobicContact CG-CD1 4.38Å; W248-I270 HydrophobicContact CE3-CD1 4.3Å; W248-I270 HydrophobicContact CZ3-CD1 3.75Å; V265-I270 HydrophobicContact CG2-CD1 3.91Å; V265-I270 HydrophobicContact CG2-CG1 3.96Å; S266-I270 PolarHBondContact O-N 2.87Å; N268-I270 VanDerWaalsContact C-N 3.29Å; N268-I270 PolarHBondContact O-N 3.32Å; I270-Q272 VanDerWaalsContact C-N 3.35Å; I270-Q272 PolarHBondContact O-N 3.16Å; I270-F273 WeakPolarHBondContact O-CB 3.37Å; I270-F273 PolarHBondContact O-N 2.92Å; I270-A274 WeakPolarHBondContact O-CB 3.4Å; I270-A274 PolarHBondContact O-N 3.21Å; I270-L364 HydrophobicContact CD1-CD2 4.46Å; I270-L364 HydrophobicContact CG2-CB 4.46Å; I270-L364 HydrophobicContact CG2-CD2 3.23Å; I270-L364 HydrophobicContact CG2-CG 4.39Å; I270-L391 HydrophobicContact CG1-CD1 4.49Å; I270-L391 HydrophobicContact CG2-CD1 4.18Å; I270-L394 HydrophobicContact CG1-CD1 4.12Å; I270-M397 HydrophobicContact CB-SD 4.4Å; I270-M397 HydrophobicContact CG2-CE 4.24Å; I270-M397 HydrophobicContact CG2-SD 3.86Å
271	R	95.9	Very high	91.1	Very high	37 Å²	37	51 Å²	51	14%	0.14	28%	0.278	C	S	.	.	H	α-helix	trans	-68.7	-32.8	-179.9	-75	-178.5	170.5	-65.3	-3.3	112.6	G267 N268 E269 S275 L366 R368 G396 M397	G267-R271 VanDerWaalsContact O-CB 3.26Å; G267-R271 WeakPolarHBondContact O-CB 3.36Å; G267-R271 WeakPolarHBondContact O-CG 3.37Å; G267-R271 PolarHBondContact O-N 2.76Å; N268-R271 PolarHBondContact O-N 2.91Å; E269-R271 PolarHBondContact O-N 2.94Å; R271-S275 WeakPolarHBondContact O-CB 3.18Å; R271-S275 PolarHBondContact O-N 2.89Å; R271-S275 PolarHBondContact O-OG 3.09Å; R271-L366 PolarHBondContact NH1-O 3.01Å; R271-L366 PolarHBondContact NH2-O 3.22Å; R271-R368 VanDerWaalsContact CZ-CG 3.5Å; R271-G396 PolarHBondContact NE-O 3.27Å; R271-M397 HydrophobicContact CG-SD 4.19Å; R271-M397 VanDerWaalsContact CZ-O 3.25Å; R271-M397 PolarHBondContact NE-O 3.45Å; R271-M397 VanDerWaalsContact NE-O 3.1Å; R271-M397 PolarHBondContact NH2-O 3.4Å
272	Q	94.9	Very high	91.7	Very high	98 Å²	98	53.4 Å²	53.4	46%	0.458	28%	0.277	S	S	.	.	H	α-helix	trans	-64.1	-45	172.6	-75.3	175.5	42.5	0	0	111.5	R186 N268 E269 I270 S275 S276	R186-Q272 VanDerWaalsContact NH1-OE1 3.16Å; N268-Q272 WeakPolarHBondContact O-CB 3.46Å; N268-Q272 VanDerWaalsContact O-CG 3.28Å; N268-Q272 WeakPolarHBondContact O-CG 3.4Å; N268-Q272 PolarHBondContact O-N 3.06Å; E269-Q272 PolarHBondContact O-N 3.02Å; I270-Q272 VanDerWaalsContact C-N 3.35Å; I270-Q272 PolarHBondContact O-N 3.16Å; Q272-S275 PolarHBondContact O-N 3.41Å; Q272-S276 WeakPolarHBondContact O-CB 3.27Å; Q272-S276 PolarHBondContact O-N 2.93Å
273	F	97.3	Very high	92.3	Very high	1 Å²	1	47.6 Å²	47.6	0%	0.004	25%	0.246	C	C	.	.	H	α-helix	trans	-59.4	-51.8	173.2	166.8	-96.9	0	0	0	111.5	F174 L178 L179 F182 E269 I270 S275 S276 L277	F174-F273 AromaticContact CD1-CE1 3.65Å; F174-F273 HydrophobicContact CD1-CE1 3.65Å; F174-F273 AromaticContact CD1-CZ 3.94Å; F174-F273 HydrophobicContact CD1-CZ 3.94Å; F174-F273 AromaticContact CE1-CE1 3.75Å; F174-F273 HydrophobicContact CE1-CE1 3.75Å; F174-F273 AromaticContact CE1-CZ 3.94Å; F174-F273 HydrophobicContact CE1-CZ 3.94Å; L178-F273 HydrophobicContact CB-CE2 3.95Å; L178-F273 HydrophobicContact CB-CZ 3.73Å; L178-F273 HydrophobicContact CD1-CZ 4.47Å; L179-F273 HydrophobicContact CD2-CB 3.47Å; L179-F273 VanDerWaalsContact CD2-CB 3.47Å; L179-F273 HydrophobicContact CD2-CD1 3.42Å; L179-F273 VanDerWaalsContact CD2-CD1 3.42Å; L179-F273 HydrophobicContact CD2-CD2 3.93Å; L179-F273 HydrophobicContact CD2-CE1 4.12Å; L179-F273 HydrophobicContact CD2-CG 3.3Å; L179-F273 HydrophobicContact CG-CD1 3.79Å; L179-F273 HydrophobicContact CG-CD2 4.36Å; L179-F273 HydrophobicContact CG-CE1 3.97Å; L179-F273 HydrophobicContact CG-CE2 4.5Å; L179-F273 HydrophobicContact CG-CG 4Å; L179-F273 HydrophobicContact CG-CZ 4.31Å; F182-F273 HydrophobicContact CB-CD2 3.68Å; F182-F273 HydrophobicContact CB-CE2 4.07Å; F182-F273 HydrophobicContact CD1-CB 3.85Å; F182-F273 AromaticContact CD1-CD2 3.75Å; F182-F273 HydrophobicContact CD1-CD2 3.75Å; F182-F273 HydrophobicContact CD1-CG 4.29Å; F182-F273 HydrophobicContact CD2-CD2 4.11Å; F182-F273 HydrophobicContact CE1-CB 3.73Å; F182-F273 HydrophobicContact CE1-CD2 4.27Å; F182-F273 AromaticContact CG-CD2 3.61Å; F182-F273 HydrophobicContact CG-CD2 3.61Å; F182-F273 HydrophobicContact CG-CE2 4.38Å; F182-F273 HydrophobicContact CZ-CB 4.32Å; E269-F273 PolarHBondContact O-N 3.08Å; I270-F273 WeakPolarHBondContact O-CB 3.37Å; I270-F273 PolarHBondContact O-N 2.92Å; F273-S275 VanDerWaalsContact C-N 3.27Å; F273-S275 PolarHBondContact O-N 3.12Å; F273-S276 PolarHBondContact O-N 3.36Å; F273-S276 VanDerWaalsContact O-N 3.17Å; F273-L277 HydrophobicContact CE1-CD2 4.11Å; F273-L277 HydrophobicContact CZ-CD2 3.85Å; F273-L277 WeakPolarHBondContact O-CB 3.48Å; F273-L277 PolarHBondContact O-N 2.93Å
274	A	97.8	Very high	91.9	Very high	3 Å²	3	50.8 Å²	50.8	3%	0.025	27%	0.268	C	S	.	.	H	α-helix	trans	-57.7	-41	-179.7	0	0	0	0	0	112	I270 L277 M278 L364 F365	I270-A274 WeakPolarHBondContact O-CB 3.4Å; I270-A274 PolarHBondContact O-N 3.21Å; A274-L277 PolarHBondContact O-N 2.76Å; A274-M278 WeakPolarHBondContact O-CB 3.35Å; A274-M278 VanDerWaalsContact O-CG 3.29Å; A274-M278 WeakPolarHBondContact O-CG 3.15Å; A274-M278 PolarHBondContact O-N 2.94Å; A274-L364 WeakPolarHBondContact CB-O 3.33Å; A274-F365 HydrophobicContact CB-CD1 3.89Å; A274-F365 HydrophobicContact CB-CE1 4.11Å
275	S	95.6	Very high	90.8	Very high	66 Å²	66	48.8 Å²	48.8	46%	0.462	26%	0.261	S	S	.	.	H	α-helix	trans	-65.6	-46.1	177.3	-55.7	0	0	0	0	112	R271 Q272 F273 L277 M278 E279	R271-S275 WeakPolarHBondContact O-CB 3.18Å; R271-S275 PolarHBondContact O-N 2.89Å; R271-S275 PolarHBondContact O-OG 3.09Å; Q272-S275 PolarHBondContact O-N 3.41Å; F273-S275 VanDerWaalsContact C-N 3.27Å; F273-S275 PolarHBondContact O-N 3.12Å; S275-L277 VanDerWaalsContact C-N 3.3Å; S275-L277 PolarHBondContact O-N 3.16Å; S275-M278 PolarHBondContact O-N 2.97Å; S275-E279 PolarHBondContact O-N 2.84Å
276	S	95	Very high	89.1	Confident	29 Å²	29	59.3 Å²	59.3	20%	0.203	30%	0.3	C	S	.	.	H	α-helix	trans	-61.6	-39	177.7	-168.7	0	0	0	0	112	F182 Q272 F273 E279 K280	F182-S276 WeakPolarHBondContact CE2-OG 3.5Å; Q272-S276 WeakPolarHBondContact O-CB 3.27Å; Q272-S276 PolarHBondContact O-N 2.93Å; F273-S276 PolarHBondContact O-N 3.36Å; F273-S276 VanDerWaalsContact O-N 3.17Å; S276-E279 PolarHBondContact O-N 3.46Å; S276-K280 WeakPolarHBondContact O-CG 3.36Å; S276-K280 PolarHBondContact O-N 3.16Å; S276-K280 VanDerWaalsContact O-N 3.16Å
277	L	96.1	Very high	87	Confident	6 Å²	6	61.4 Å²	61.4	3%	0.031	33%	0.326	C	S	.	.	H	α-helix	trans	-72.3	-40.5	179	-168.8	64.3	0	0	0	111.6	F174 L214 F273 A274 S275 E279 K280 L281 F365	F174-L277 HydrophobicContact CE1-CD2 3.57Å; F174-L277 HydrophobicContact CZ-CD2 3.91Å; L214-L277 HydrophobicContact CB-CD1 3.87Å; L214-L277 HydrophobicContact CD1-CD1 3.58Å; L214-L277 HydrophobicContact CG-CD1 4.38Å; F273-L277 HydrophobicContact CE1-CD2 4.11Å; F273-L277 HydrophobicContact CZ-CD2 3.85Å; F273-L277 WeakPolarHBondContact O-CB 3.48Å; F273-L277 PolarHBondContact O-N 2.93Å; A274-L277 PolarHBondContact O-N 2.76Å; S275-L277 VanDerWaalsContact C-N 3.3Å; S275-L277 PolarHBondContact O-N 3.16Å; L277-E279 VanDerWaalsContact C-N 3.27Å; L277-E279 PolarHBondContact O-N 3.14Å; L277-K280 PolarHBondContact O-N 3.31Å; L277-L281 HydrophobicContact CG-CD1 4.35Å; L277-L281 WeakPolarHBondContact O-CB 3.38Å; L277-L281 VanDerWaalsContact O-CG 3.26Å; L277-L281 WeakPolarHBondContact O-CG 3.36Å; L277-L281 PolarHBondContact O-N 3.41Å; L277-F365 HydrophobicContact CB-CE1 4.47Å; L277-F365 HydrophobicContact CD2-CE1 4.16Å; L277-F365 HydrophobicContact CD2-CZ 3.84Å
278	M	95.6	Very high	84.6	Confident	14 Å²	14	65 Å²	65	7%	0.069	36%	0.362	C	S	.	.	H	α-helix	trans	-59.5	-38.7	173.3	-77.2	-172.7	-62.7	0	0	112.1	A274 S275 L281 N282 I283 T285 V343 F365	A274-M278 WeakPolarHBondContact O-CB 3.35Å; A274-M278 VanDerWaalsContact O-CG 3.29Å; A274-M278 WeakPolarHBondContact O-CG 3.15Å; A274-M278 PolarHBondContact O-N 2.94Å; S275-M278 PolarHBondContact O-N 2.97Å; M278-L281 CarbonylContact O-C 3.14Å; M278-L281 PolarHBondContact O-N 2.88Å; M278-N282 PolarHBondContact O-N 3.5Å; M278-I283 HydrophobicContact CB-CB 4.19Å; M278-I283 WeakPolarHBondContact O-CB 3.29Å; M278-I283 PolarHBondContact O-N 2.72Å; M278-T285 HydrophobicContact CE-CG2 3.68Å; M278-T285 HydrophobicContact SD-CG2 3.84Å; M278-V343 HydrophobicContact CG-CG1 3.79Å; M278-V343 HydrophobicContact SD-CG1 4.31Å; M278-F365 HydrophobicContact CG-CD1 3.79Å; M278-F365 HydrophobicContact CG-CE1 4.16Å; M278-F365 HydrophobicContact SD-CD1 4.09Å
279	E	94.3	Very high	82.1	Confident	144 Å²	144	70 Å²	70	67%	0.673	38%	0.384	S	S	*	.	H	α-helix	trans	-61.2	-50.1	174.2	-176.1	-178.5	174.3	0	0	111.5	S275 S276 L277 L281 N282	S275-E279 PolarHBondContact O-N 2.84Å; S276-E279 PolarHBondContact O-N 3.46Å; L277-E279 VanDerWaalsContact C-N 3.27Å; L277-E279 PolarHBondContact O-N 3.14Å; E279-L281 PolarHBondContact O-N 2.73Å; E279-N282 PolarHBondContact O-N 2.74Å
280	K	93.9	Very high	79.8	Confident	81 Å²	81	76.2 Å²	76.2	35%	0.352	41%	0.412	S	S	.	.	H	α-helix	trans	-61.9	-25	176.1	-67.8	-73.5	-172.4	175.7	0	112.9	D193 L214 S276 L277 N282	D193-K280 IonicContact OD2-NZ 3.61Å; L214-K280 HydrophobicContact CB-CB 4.25Å; L214-K280 HydrophobicContact CD2-CB 4.23Å; S276-K280 WeakPolarHBondContact O-CG 3.36Å; S276-K280 PolarHBondContact O-N 3.16Å; S276-K280 VanDerWaalsContact O-N 3.16Å; L277-K280 PolarHBondContact O-N 3.31Å; K280-N282 VanDerWaalsContact C-N 3.31Å
281	L	93.4	Very high	76.7	Confident	24 Å²	24	80.8 Å²	80.8	13%	0.126	44%	0.444	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	2.9	173.5	-70.1	176.8	0	0	0	114.1	L214 L277 M278 E279 I283 P340 V343	L214-L281 HydrophobicContact CD1-CD2 3.44Å; L214-L281 VanDerWaalsContact CD1-CD2 3.44Å; L214-L281 HydrophobicContact CD1-CG 3.93Å; L214-L281 HydrophobicContact CD2-CD2 4.22Å; L214-L281 HydrophobicContact CG-CD2 4.5Å; L277-L281 HydrophobicContact CG-CD1 4.35Å; L277-L281 WeakPolarHBondContact O-CB 3.38Å; L277-L281 VanDerWaalsContact O-CG 3.26Å; L277-L281 WeakPolarHBondContact O-CG 3.36Å; L277-L281 PolarHBondContact O-N 3.41Å; M278-L281 CarbonylContact O-C 3.14Å; M278-L281 PolarHBondContact O-N 2.88Å; E279-L281 PolarHBondContact O-N 2.73Å; L281-I283 HydrophobicContact CB-CD1 3.74Å; L281-I283 HydrophobicContact CB-CG1 3.88Å; L281-I283 HydrophobicContact CD1-CD1 4.05Å; L281-I283 PolarHBondContact O-N 2.91Å; L281-P340 HydrophobicContact CD2-CB 4.17Å; L281-P340 HydrophobicContact CD2-CG 3.82Å; L281-V343 HydrophobicContact CD1-CG2 4.41Å
282	N	92.1	Very high	73.7	Confident	148 Å²	148	83 Å²	83	79%	0.791	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	33.8	-174	-60.3	-56	0	0	0	113.4	M278 E279 K280	M278-N282 PolarHBondContact O-N 3.5Å; E279-N282 PolarHBondContact O-N 2.74Å; K280-N282 VanDerWaalsContact C-N 3.31Å
283	I	90.4	Very high	70.9	Confident	15 Å²	15	83.4 Å²	83.4	8%	0.077	49%	0.491	C	S	.	.			trans	-96.3	100.2	177.6	-59.1	172.1	0	0	0	108	M278 L281 T285 P340 V343 K344	M278-I283 HydrophobicContact CB-CB 4.19Å; M278-I283 WeakPolarHBondContact O-CB 3.29Å; M278-I283 PolarHBondContact O-N 2.72Å; L281-I283 HydrophobicContact CB-CD1 3.74Å; L281-I283 HydrophobicContact CB-CG1 3.88Å; L281-I283 HydrophobicContact CD1-CD1 4.05Å; L281-I283 PolarHBondContact O-N 2.91Å; I283-T285 PolarHBondContact O-N 2.58Å; I283-T285 VanDerWaalsContact O-N 3.14Å; I283-P340 WeakPolarHBondContact CD1-O 3.39Å; I283-V343 HydrophobicContact CD1-CB 3.72Å; I283-V343 HydrophobicContact CD1-CG1 3.52Å; I283-K344 HydrophobicContact CD1-CB 4.29Å; I283-K344 HydrophobicContact CG1-CB 4.42Å; I283-K344 HydrophobicContact CG2-CB 4.26Å; I283-K344 HydrophobicContact CG2-CG 4.4Å
284	T	76.3	Confident	68.2	Low	122 Å²	122	91 Å²	91	75%	0.748	53%	0.527	S	S	*	.			trans	-70	108.2	171	53.3	0	0	0	0	109.2	R286	T284-R286 PolarHBondContact O-N 2.86Å
285	T	59.9	Low	65.9	Low	78 Å²	78	100.2 Å²	100.2	48%	0.479	57%	0.569	S	S	.	*			trans	-66.8	122.8	163.2	46.5	0	0	0	0	107.2	M278 I283 G287	M278-T285 HydrophobicContact CE-CG2 3.68Å; M278-T285 HydrophobicContact SD-CG2 3.84Å; I283-T285 PolarHBondContact O-N 2.58Å; I283-T285 VanDerWaalsContact O-N 3.14Å; T285-G287 PolarHBondContact O-N 3.28Å
286	R	51.8	Low	64.2	Low	226 Å²	226	105.5 Å²	105.5	85%	0.853	58%	0.584	S	S	*	*	S	Bend	trans	-68	32.5	169.3	-72.1	-176.5	171.9	-175.7	-3.8	111.9	T284	T284-R286 PolarHBondContact O-N 2.86Å
287	G	44.3	Very low	63.3	Low	67 Å²	67	109.1 Å²	109.1	69%	0.691	60%	0.601	S	S	*	*			trans	-127.1	25.3	-159.8	0	0	0	0	0	114.7	T285	T285-G287 PolarHBondContact O-N 3.28Å
288	G	39.3	Very low	62.9	Low	74 Å²	74	112.7 Å²	112.7	76%	0.763	62%	0.617	S	S	*	*	S	Bend	trans	-125.7	-17.2	174.8	0	0	0	0	0	115
289	E	33.7	Very low	62.8	Low	176 Å²	176	113.8 Å²	113.8	82%	0.822	62%	0.621	S	S	*	*	S	Bend	trans	-120.3	138.2	177	-72.2	-174.8	167.7	0	0	111	S291	E289-S291 PolarHBondContact O-N 3.14Å
290	E	41	Very low	62.8	Low	191 Å²	191	106.9 Å²	106.9	89%	0.893	59%	0.589	S	S	*	*			trans	-59.2	66.5	176.4	-58.7	178.2	142	0	0	111.7	A292	E290-A292 VanDerWaalsContact C-N 3.32Å; E290-A292 PolarHBondContact O-N 3.03Å
291	S	31.5	Very low	63	Low	96 Å²	96	103 Å²	103	67%	0.671	57%	0.572	S	S	*	*			trans	-75.3	96.3	159.7	47.4	0	0	0	0	107.6	E289	E289-S291 PolarHBondContact O-N 3.14Å
292	A	33.7	Very low	63.3	Low	83 Å²	83	101.9 Å²	101.9	69%	0.686	57%	0.566	S	S	*	*			trans	-50.7	134.9	171.1	0	0	0	0	0	111.2	E290 E294	E290-A292 VanDerWaalsContact C-N 3.32Å; E290-A292 PolarHBondContact O-N 3.03Å; A292-E294 VanDerWaalsContact C-N 3.32Å; A292-E294 PolarHBondContact O-N 2.81Å
293	A	35.6	Very low	63.5	Low	108 Å²	108	95 Å²	95	89%	0.893	53%	0.529	S	S	*	.			trans	54.9	28.8	142.1	0	0	0	0	0	118.9
294	E	40.4	Very low	63.8	Low	161 Å²	161	95.6 Å²	95.6	75%	0.752	53%	0.534	S	S	*	.			trans	-87.9	127.5	153.3	-72	-176.7	175.3	0	0	107.5	A292 K296	A292-E294 VanDerWaalsContact C-N 3.32Å; A292-E294 PolarHBondContact O-N 2.81Å; E294-K296 PolarHBondContact O-N 3.3Å
295	E	49.6	Very low	64.7	Low	195 Å²	195	91.3 Å²	91.3	91%	0.911	50%	0.504	S	S	*	.			trans	-48.1	109.3	171.6	-77	177.4	154.5	0	0	108.2	D297	E295-D297 PolarHBondContact O-N 2.96Å
296	K	59.9	Low	66.2	Low	177 Å²	177	91 Å²	91	77%	0.77	51%	0.506	S	S	*	.			trans	-60.3	109.5	172.1	-98.7	-173.7	173.9	-175.3	0	106	E294 E298	E294-K296 PolarHBondContact O-N 3.3Å; K296-E298 VanDerWaalsContact C-N 3.32Å; K296-E298 WeakPolarHBondContact O-CG 3.33Å; K296-E298 PolarHBondContact O-N 2.96Å
297	D	75.7	Confident	67.9	Low	105 Å²	105	84.9 Å²	84.9	56%	0.561	49%	0.489	S	S	*	.			trans	-56.6	98	172.1	-171	13.9	0	0	0	107.7	E295 Y299 R328	E295-D297 PolarHBondContact O-N 2.96Å; D297-Y299 WeakPolarHBondContact O-CD1 3.43Å; D297-R328 WeakPolarHBondContact OD1-CD 3.42Å; D297-R328 WeakPolarHBondContact OD1-CG 3.12Å; D297-R328 WeakPolarHBondContact OD2-CD 3.45Å; D297-R328 IonicContact OD2-NE 3.77Å
298	E	88.1	Confident	70.1	Confident	82 Å²	82	83 Å²	83	38%	0.383	46%	0.463	S	S	.	.			trans	-78.1	129.7	-178.8	-65.9	-164.7	161.5	0	0	108.5	K296 M327 R479	K296-E298 VanDerWaalsContact C-N 3.32Å; K296-E298 WeakPolarHBondContact O-CG 3.33Å; K296-E298 PolarHBondContact O-N 2.96Å; E298-M327 HydrophobicContact CB-CE 3.76Å; E298-M327 HydrophobicContact CB-CG 4.02Å; E298-M327 HydrophobicContact CB-SD 4.09Å; E298-M327 WeakPolarHBondContact O-CB 3.29Å; E298-R479 VanDerWaalsContact CD-NH1 3.31Å; E298-R479 IonicContact OE1-NH1 3.88Å; E298-R479 PolarHBondContact OE1-NH1 3.33Å; E298-R479 IonicContact OE2-CZ 3.98Å; E298-R479 IonicContact OE2-NH1 3.72Å; E298-R479 PolarHBondContact OE2-NH1 2.86Å; E298-R479 IonicContact OE2-NH2 2.99Å
299	Y	93.9	Very high	72.8	Confident	36 Å²	36	81 Å²	81	14%	0.141	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	152.6	178.8	62.5	-88.9	0	0	0	113.9	D297 V301 M327 R328 V330 V345 G348 A349 S350	D297-Y299 WeakPolarHBondContact O-CD1 3.43Å; Y299-V301 HydrophobicContact CD2-CG2 3.81Å; Y299-V301 HydrophobicContact CE2-CG2 3.6Å; Y299-M327 VanDerWaalsContact C-CE 3.48Å; Y299-R328 CarbonylContact C-O 3.57Å; Y299-R328 WeakPolarHBondContact CA-O 3.34Å; Y299-R328 VanDerWaalsContact CB-O 3.23Å; Y299-R328 WeakPolarHBondContact CB-O 3.25Å; Y299-V330 HydrophobicContact CD2-CB 4.44Å; Y299-V330 HydrophobicContact CD2-CG2 3.91Å; Y299-V330 HydrophobicContact CE2-CG2 4.44Å; Y299-V330 HydrophobicContact CG-CG2 4.44Å; Y299-V345 HydrophobicContact CE2-CG1 4.01Å; Y299-V345 WeakPolarHBondContact CE2-O 3.39Å; Y299-V345 PolarHBondContact OH-O 3.46Å; Y299-G348 WeakPolarHBondContact CE1-O 3.16Å; Y299-G348 VanDerWaalsContact OH-CA 3.29Å; Y299-G348 WeakPolarHBondContact OH-CA 3.44Å; Y299-A349 HydrophobicContact CD2-CB 4.31Å; Y299-A349 HydrophobicContact CE2-CB 3.82Å; Y299-A349 PolarHBondContact OH-N 2.7Å; Y299-S350 PolarHBondContact O-N 2.83Å; Y299-S350 VanDerWaalsContact O-N 3.09Å
300	F	94.8	Very high	75.8	Confident	0 Å²	0	74.6 Å²	74.6	0%	0	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	143.6	164.9	-72.6	-98.4	0	0	0	109.8	L321 F325 M327 R328 A329 V330 I351 V353	F300-L321 HydrophobicContact CD1-CD1 4.24Å; F300-L321 HydrophobicContact CD1-CD2 4.49Å; F300-L321 HydrophobicContact CE1-CD2 4.01Å; F300-L321 HydrophobicContact CZ-CD2 4.46Å; F300-F325 HydrophobicContact CE1-CD2 4.22Å; F300-F325 HydrophobicContact CE2-CB 3.6Å; F300-F325 AromaticContact CE2-CD2 3.94Å; F300-F325 HydrophobicContact CE2-CD2 3.94Å; F300-F325 AromaticContact CE2-CG 3.99Å; F300-F325 HydrophobicContact CE2-CG 3.99Å; F300-F325 HydrophobicContact CZ-CB 3.78Å; F300-F325 AromaticContact CZ-CD2 3.32Å; F300-F325 HydrophobicContact CZ-CD2 3.32Å; F300-F325 HydrophobicContact CZ-CE2 4.04Å; F300-F325 AromaticContact CZ-CG 3.61Å; F300-F325 HydrophobicContact CZ-CG 3.61Å; F300-M327 HydrophobicContact CD2-CB 3.76Å; F300-M327 HydrophobicContact CD2-CE 3.69Å; F300-M327 HydrophobicContact CD2-SD 4.24Å; F300-M327 HydrophobicContact CE2-CB 3.72Å; F300-M327 HydrophobicContact CE2-CE 3.64Å; F300-M327 HydrophobicContact CE2-CG 4.2Å; F300-M327 HydrophobicContact CE2-SD 3.62Å; F300-M327 HydrophobicContact CG-CE 4.47Å; F300-M327 HydrophobicContact CZ-CE 4.42Å; F300-M327 HydrophobicContact CZ-SD 4.33Å; F300-R328 PolarHBondContact N-O 3.27Å; F300-A329 HydrophobicContact CB-CB 4.17Å; F300-A329 CarbonylContact O-C 3.51Å; F300-A329 WeakPolarHBondContact O-CA 3.42Å; F300-V330 PolarHBondContact O-N 3.3Å; F300-I351 CarbonylContact C-O 3.56Å; F300-I351 WeakPolarHBondContact CA-O 3.24Å; F300-I351 HydrophobicContact CD1-CB 3.61Å; F300-I351 HydrophobicContact CD1-CD1 4.19Å; F300-I351 HydrophobicContact CD1-CG1 4.41Å; F300-I351 HydrophobicContact CD1-CG2 3.61Å; F300-I351 HydrophobicContact CE1-CB 3.69Å; F300-I351 HydrophobicContact CE1-CD1 3.38Å; F300-I351 HydrophobicContact CE1-CG1 4.05Å; F300-I351 HydrophobicContact CE1-CG2 3.57Å; F300-I351 HydrophobicContact CE2-CD1 4.22Å; F300-I351 HydrophobicContact CG-CB 4.31Å; F300-I351 HydrophobicContact CZ-CB 4.41Å; F300-I351 HydrophobicContact CZ-CD1 3.38Å; F300-I351 HydrophobicContact CZ-CG1 4.36Å; F300-V353 HydrophobicContact CD1-CG2 4.01Å
301	V	98.1	Very high	78.5	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	126.9	160.7	176.5	0	0	0	0	107.9	Y299 V330 V332 V345 I346 A349 I351 L352 V353	Y299-V301 HydrophobicContact CD2-CG2 3.81Å; Y299-V301 HydrophobicContact CE2-CG2 3.6Å; V301-V330 CarbonylContact C-O 3.53Å; V301-V330 VanDerWaalsContact CA-O 3.25Å; V301-V330 WeakPolarHBondContact CA-O 2.95Å; V301-V332 HydrophobicContact CG1-CB 4.4Å; V301-V332 HydrophobicContact CG1-CG1 4.04Å; V301-V332 HydrophobicContact CG1-CG2 3.45Å; V301-V332 VanDerWaalsContact CG1-CG2 3.45Å; V301-V345 HydrophobicContact CG2-CG1 3.63Å; V301-I346 HydrophobicContact CG1-CG1 4.17Å; V301-A349 HydrophobicContact CB-CB 4.25Å; V301-A349 HydrophobicContact CG2-CB 3.46Å; V301-A349 VanDerWaalsContact CG2-CB 3.46Å; V301-I351 PolarHBondContact N-O 2.93Å; V301-L352 HydrophobicContact CB-CD1 3.82Å; V301-L352 HydrophobicContact CG1-CD1 3.64Å; V301-L352 CarbonylContact O-C 3.56Å; V301-L352 WeakPolarHBondContact O-CA 3.4Å; V301-V353 PolarHBondContact O-N 3.4Å
302	V	98.3	Very high	81.7	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	123	174.7	-175.4	0	0	0	0	108.1	S304 I318 L321 V330 T331 V332 V353	V302-S304 PolarHBondContact O-N 2.85Å; V302-I318 HydrophobicContact CB-CG1 4.47Å; V302-I318 HydrophobicContact CG2-CG1 4.12Å; V302-L321 HydrophobicContact CG2-CD1 4.27Å; V302-V330 PolarHBondContact N-O 3.2Å; V302-T331 WeakPolarHBondContact O-CA 3.27Å; V302-V332 PolarHBondContact O-N 3.04Å; V302-V353 WeakPolarHBondContact CA-O 3.49Å; V302-V353 HydrophobicContact CG2-CB 4.31Å
303	F	97.6	Very high	84.8	Confident	4 Å²	4	62.2 Å²	62.2	2%	0.018	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	118.3	172.1	-94.7	-72.2	0	0	0	110.2	V332 L334 I342 I346 L352 V353 Q359 S362	F303-V332 CarbonylContact C-O 3.53Å; F303-V332 WeakPolarHBondContact CA-O 3.5Å; F303-V332 HydrophobicContact CD1-CG2 3.59Å; F303-V332 HydrophobicContact CD2-CG2 4.28Å; F303-V332 HydrophobicContact CE1-CG2 3.61Å; F303-V332 HydrophobicContact CE2-CG2 4.31Å; F303-V332 HydrophobicContact CG-CG2 3.93Å; F303-V332 HydrophobicContact CZ-CG2 3.99Å; F303-L334 HydrophobicContact CE1-CG 4.37Å; F303-I342 HydrophobicContact CE1-CG2 4.08Å; F303-I342 HydrophobicContact CZ-CG2 3.86Å; F303-I346 HydrophobicContact CE2-CD1 3.71Å; F303-I346 HydrophobicContact CZ-CD1 3.64Å; F303-L352 HydrophobicContact CD2-CD1 3.7Å; F303-L352 HydrophobicContact CD2-CG 4.44Å; F303-L352 HydrophobicContact CE2-CD1 3.74Å; F303-L352 HydrophobicContact CE2-CD2 4.27Å; F303-L352 HydrophobicContact CE2-CG 4.47Å; F303-V353 PolarHBondContact N-O 2.87Å; F303-Q359 HydrophobicContact CB-CG 4.26Å; F303-Q359 HydrophobicContact CD1-CB 4.23Å; F303-Q359 HydrophobicContact CD1-CG 3.74Å; F303-Q359 HydrophobicContact CD2-CG 3.94Å; F303-Q359 HydrophobicContact CE1-CB 4Å; F303-Q359 HydrophobicContact CE1-CG 3.99Å; F303-Q359 HydrophobicContact CE2-CB 4.49Å; F303-Q359 HydrophobicContact CE2-CG 4.16Å; F303-Q359 HydrophobicContact CG-CG 3.72Å; F303-Q359 HydrophobicContact CZ-CB 4.13Å; F303-Q359 HydrophobicContact CZ-CG 4.19Å; F303-S362 VanDerWaalsContact CE2-OG 3.26Å; F303-S362 WeakPolarHBondContact CE2-OG 3.37Å; F303-S362 WeakPolarHBondContact CZ-OG 3.44Å
304	S	96.3	Very high	87.8	Confident	26 Å²	26	58.9 Å²	58.9	18%	0.182	29%	0.29	C	S	.	.			trans	-93	156.7	169	-165.5	0	0	0	0	111.1	V302 E314 T331 V332	V302-S304 PolarHBondContact O-N 2.85Å; S304-E314 WeakPolarHBondContact CA-OE2 3.38Å; S304-E314 WeakPolarHBondContact CB-OE2 3.27Å; S304-E314 PolarHBondContact OG-OE1 2.74Å; S304-E314 PolarHBondContact OG-OE2 2.95Å; S304-T331 VanDerWaalsContact CB-CG2 3.46Å; S304-V332 PolarHBondContact N-O 3.09Å
305	R	94.8	Very high	90.5	Very high	32 Å²	32	54.5 Å²	54.5	12%	0.121	28%	0.281	C	S	.	.			trans	-141.8	145.7	-175.5	-75.6	166	155.2	-101.6	-2.9	109.1	N308 R309 Q359	R305-N308 WeakPolarHBondContact CD-O 3.26Å; R305-N308 PolarHBondContact NH1-O 2.8Å; R305-N308 PolarHBondContact NH1-OD1 3.39Å; R305-R309 VanDerWaalsContact CD-O 3.26Å; R305-R309 WeakPolarHBondContact CD-O 3.4Å; R305-Q359 VanDerWaalsContact NH2-CD 3.33Å
306	S	91.3	Very high	92.8	Very high	73 Å²	73	51 Å²	51	51%	0.51	27%	0.265	S	S	.	.	S	Bend	trans	-116.7	-6.6	179.9	58.1	0	0	0	0	114.5
307	I	88.4	Confident	94.6	Very high	97 Å²	97	42.6 Å²	42.6	50%	0.497	23%	0.228	S	C	.	.	S	Bend	trans	-114.7	-53.1	-170	-54.3	175.6	0	0	0	113.5	E335 R418	I307-E335 HydrophobicContact CD1-CG 4.35Å; I307-R418 PolarHBondContact O-NH1 3.24Å
308	N	90.3	Very high	95.6	Very high	28 Å²	28	39 Å²	39	15%	0.15	21%	0.209	C	C	.	.	S	Bend	trans	-151.3	158.9	-178.7	58.9	68	0	0	0	111.1	R305 L310 Y458	R305-N308 WeakPolarHBondContact CD-O 3.26Å; R305-N308 PolarHBondContact NH1-O 2.8Å; R305-N308 PolarHBondContact NH1-OD1 3.39Å; N308-L310 VanDerWaalsContact C-N 3.29Å; N308-Y458 HydrophobicContact CB-CD1 3.92Å
309	R	95.4	Very high	96.1	Very high	30 Å²	30	40.2 Å²	40.2	11%	0.113	22%	0.217	C	C	.	.	S	Bend	trans	55.2	46.4	-174.9	-61.4	172.3	-83	-160.9	-8.4	111.6	R305 M355 H356 G357 I457 Q459 D460	R305-R309 VanDerWaalsContact CD-O 3.26Å; R305-R309 WeakPolarHBondContact CD-O 3.4Å; R309-M355 HydrophobicContact CB-CB 4.23Å; R309-M355 WeakPolarHBondContact O-CG 3.41Å; R309-H356 VanDerWaalsContact CD-O 3.25Å; R309-H356 WeakPolarHBondContact CD-O 3.45Å; R309-H356 PolarHBondContact NH1-O 3.43Å; R309-G357 VanDerWaalsContact NH1-CA 3.28Å; R309-I457 WeakPolarHBondContact CD-O 3.39Å; R309-I457 WeakPolarHBondContact CG-O 3.45Å; R309-Q459 WeakPolarHBondContact CA-O 3.48Å; R309-D460 WeakPolarHBondContact CA-OD1 3.35Å; R309-D460 PolarHBondContact N-OD1 2.78Å
310	L	97.5	Very high	96.2	Very high	42 Å²	42	39.2 Å²	39.2	22%	0.22	22%	0.216	C	C	.	.			trans	-69.4	144.7	177	-77.9	63.3	0	0	0	109.7	N308 L312 D460 T461	N308-L310 VanDerWaalsContact C-N 3.29Å; L310-L312 HydrophobicContact CB-CD2 4.15Å; L310-D460 HydrophobicContact CB-CB 4.07Å; L310-D460 WeakPolarHBondContact CD1-OD1 3.12Å; L310-D460 PolarHBondContact N-OD1 2.85Å; L310-T461 PolarHBondContact O-N 3.01Å
311	I	98.5	Very high	96.2	Very high	13 Å²	13	39.2 Å²	39.2	7%	0.067	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-87.4	103.2	161.7	-59	175	0	0	0	106.2	N313 E314 L317 M355 L375 T461 V463	I311-N313 VanDerWaalsContact C-N 3.27Å; I311-N313 PolarHBondContact O-N 3.22Å; I311-E314 HydrophobicContact CB-CB 4.2Å; I311-E314 HydrophobicContact CG2-CB 4.14Å; I311-E314 WeakPolarHBondContact O-CB 3.49Å; I311-E314 PolarHBondContact O-N 2.81Å; I311-L317 HydrophobicContact CD1-CD2 3.94Å; I311-L317 HydrophobicContact CG2-CD2 3.99Å; I311-M355 HydrophobicContact CD1-CG 4.06Å; I311-M355 HydrophobicContact CG1-CG 3.56Å; I311-M355 HydrophobicContact CG1-SD 4.01Å; I311-L375 HydrophobicContact CD1-CD1 3.85Å; I311-T461 CarbonylContact C-O 3.5Å; I311-T461 WeakPolarHBondContact CA-O 3.46Å; I311-V463 HydrophobicContact CG2-CB 4.5Å; I311-V463 HydrophobicContact CG2-CG2 3.78Å
312	L	98.3	Very high	95.9	Very high	79 Å²	79	41.7 Å²	41.7	41%	0.414	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-26.4	-170.3	-66.2	176.5	0	0	0	113	L310 V413 D460 T461 I462	L310-L312 HydrophobicContact CB-CD2 4.15Å; L312-V413 HydrophobicContact CD1-CB 4.23Å; L312-V413 HydrophobicContact CD1-CG2 3.58Å; L312-D460 HydrophobicContact CD1-CB 4.06Å; L312-D460 HydrophobicContact CD2-CB 3.98Å; L312-D460 HydrophobicContact CG-CB 3.99Å; L312-T461 PolarHBondContact N-O 2.63Å; L312-I462 HydrophobicContact CB-CG1 3.86Å; L312-I462 HydrophobicContact CD1-CG1 3.89Å; L312-I462 HydrophobicContact CG-CG1 4.46Å
313	N	98.3	Very high	95.7	Very high	18 Å²	18	48.1 Å²	48.1	10%	0.096	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.2	38.3	174.6	65	-30.1	0	0	0	112.5	I311 A315 E316 L317 I462 V463	I311-N313 VanDerWaalsContact C-N 3.27Å; I311-N313 PolarHBondContact O-N 3.22Å; N313-A315 VanDerWaalsContact C-N 3.3Å; N313-A315 PolarHBondContact O-N 3.17Å; N313-E316 HydrophobicContact CB-CB 4.31Å; N313-E316 HydrophobicContact CB-CG 4.43Å; N313-E316 PolarHBondContact O-N 3.04Å; N313-E316 VanDerWaalsContact O-N 3.09Å; N313-L317 PolarHBondContact O-N 3.48Å; N313-I462 HydrophobicContact CB-CG2 4.39Å; N313-V463 PolarHBondContact ND2-O 3.13Å; N313-V463 PolarHBondContact OD1-N 2.66Å
314	E	97.9	Very high	95.4	Very high	39 Å²	39	51.3 Å²	51.3	18%	0.182	28%	0.277	C	S	.	.	H	α-helix	trans	-53.3	-42.3	-175.4	-170.9	-175.9	104	0	0	113.3	S304 I311 E316 L317 I318	S304-E314 WeakPolarHBondContact CA-OE2 3.38Å; S304-E314 WeakPolarHBondContact CB-OE2 3.27Å; S304-E314 PolarHBondContact OG-OE1 2.74Å; S304-E314 PolarHBondContact OG-OE2 2.95Å; I311-E314 HydrophobicContact CB-CB 4.2Å; I311-E314 HydrophobicContact CG2-CB 4.14Å; I311-E314 WeakPolarHBondContact O-CB 3.49Å; I311-E314 PolarHBondContact O-N 2.81Å; E314-E316 PolarHBondContact O-N 2.61Å; E314-L317 WeakPolarHBondContact O-CB 3.37Å; E314-L317 PolarHBondContact O-N 3Å; E314-I318 HydrophobicContact CG-CD1 3.9Å; E314-I318 HydrophobicContact CG-CG1 4.47Å; E314-I318 VanDerWaalsContact O-CG1 3.31Å; E314-I318 WeakPolarHBondContact O-CG1 3.45Å; E314-I318 PolarHBondContact O-N 2.88Å
315	A	97.7	Very high	95	Very high	69 Å²	69	51.6 Å²	51.6	57%	0.57	27%	0.274	S	S	*	.	H	α-helix	trans	-63.2	-41.6	179.4	0	0	0	0	0	112.4	N313 I318 L319	N313-A315 VanDerWaalsContact C-N 3.3Å; N313-A315 PolarHBondContact O-N 3.17Å; A315-I318 PolarHBondContact O-N 2.64Å; A315-L319 VanDerWaalsContact O-CG 3.28Å; A315-L319 WeakPolarHBondContact O-CG 3.39Å; A315-L319 PolarHBondContact O-N 2.89Å
316	E	98.3	Very high	94.8	Very high	120 Å²	120	57.9 Å²	57.9	56%	0.561	31%	0.305	S	S	*	.	H	α-helix	trans	-66.4	-42.5	176.9	-61.3	175.8	179.6	0	0	110.9	N313 E314 L319 A320 I465	N313-E316 HydrophobicContact CB-CB 4.31Å; N313-E316 HydrophobicContact CB-CG 4.43Å; N313-E316 PolarHBondContact O-N 3.04Å; N313-E316 VanDerWaalsContact O-N 3.09Å; E314-E316 PolarHBondContact O-N 2.61Å; E316-L319 PolarHBondContact O-N 2.96Å; E316-A320 WeakPolarHBondContact O-CB 3.45Å; E316-A320 PolarHBondContact O-N 2.88Å; E316-I465 HydrophobicContact CB-CD1 3.73Å
317	L	97.9	Very high	94.7	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.005	29%	0.285	C	S	.	.	H	α-helix	trans	-58.1	-49.5	175.2	171.7	61.2	0	0	0	111.2	I311 N313 E314 L319 A320 L321 V463 L468	I311-L317 HydrophobicContact CD1-CD2 3.94Å; I311-L317 HydrophobicContact CG2-CD2 3.99Å; N313-L317 PolarHBondContact O-N 3.48Å; E314-L317 WeakPolarHBondContact O-CB 3.37Å; E314-L317 PolarHBondContact O-N 3Å; L317-L319 PolarHBondContact O-N 3.11Å; L317-A320 PolarHBondContact O-N 3.29Å; L317-L321 HydrophobicContact CD1-CD1 3.93Å; L317-L321 HydrophobicContact CD1-CG 4.02Å; L317-L321 HydrophobicContact CG-CD1 4.05Å; L317-L321 VanDerWaalsContact O-CG 3.31Å; L317-L321 WeakPolarHBondContact O-CG 3.35Å; L317-L321 PolarHBondContact O-N 3.4Å; L317-V463 HydrophobicContact CD1-CG1 4.33Å; L317-L468 HydrophobicContact CD1-CD2 3.45Å; L317-L468 VanDerWaalsContact CD1-CD2 3.45Å
318	I	97.2	Very high	95	Very high	31 Å²	31	56.2 Å²	56.2	16%	0.159	28%	0.282	C	S	.	.	H	α-helix	trans	-59.3	-48	178.8	-72.1	166.6	0	0	0	110.6	V302 E314 A315 A320 L321 V322 A329 T331	V302-I318 HydrophobicContact CB-CG1 4.47Å; V302-I318 HydrophobicContact CG2-CG1 4.12Å; E314-I318 HydrophobicContact CG-CD1 3.9Å; E314-I318 HydrophobicContact CG-CG1 4.47Å; E314-I318 VanDerWaalsContact O-CG1 3.31Å; E314-I318 WeakPolarHBondContact O-CG1 3.45Å; E314-I318 PolarHBondContact O-N 2.88Å; A315-I318 PolarHBondContact O-N 2.64Å; I318-A320 VanDerWaalsContact C-N 3.33Å; I318-A320 PolarHBondContact O-N 3.15Å; I318-L321 PolarHBondContact O-N 3.45Å; I318-V322 HydrophobicContact CG2-CG2 4.4Å; I318-V322 VanDerWaalsContact O-CG2 3.28Å; I318-V322 WeakPolarHBondContact O-CG2 3.39Å; I318-V322 PolarHBondContact O-N 3.43Å; I318-A329 HydrophobicContact CG2-CB 3.78Å; I318-T331 WeakPolarHBondContact CD1-OG1 3.45Å
319	L	97.2	Very high	95.1	Very high	106 Å²	106	56.1 Å²	56.1	56%	0.555	29%	0.285	S	S	*	.	H	α-helix	trans	-59.8	-43.7	178.9	-73	170.4	0	0	0	111.7	A315 E316 L317 V322 Q323	A315-L319 VanDerWaalsContact O-CG 3.28Å; A315-L319 WeakPolarHBondContact O-CG 3.39Å; A315-L319 PolarHBondContact O-N 2.89Å; E316-L319 PolarHBondContact O-N 2.96Å; L317-L319 PolarHBondContact O-N 3.11Å; L319-V322 PolarHBondContact O-N 3.05Å; L319-Q323 WeakPolarHBondContact O-CB 3.19Å; L319-Q323 VanDerWaalsContact O-CG 3.25Å; L319-Q323 WeakPolarHBondContact O-CG 3.39Å; L319-Q323 PolarHBondContact O-N 3.1Å
320	A	96.2	Very high	95.2	Very high	15 Å²	15	56 Å²	56	12%	0.124	29%	0.288	C	S	.	.	H	α-helix	trans	-65.2	-41.6	178.6	0	0	0	0	0	112.6	E316 L317 I318 Q323 E324 I465	E316-A320 WeakPolarHBondContact O-CB 3.45Å; E316-A320 PolarHBondContact O-N 2.88Å; L317-A320 PolarHBondContact O-N 3.29Å; I318-A320 VanDerWaalsContact C-N 3.33Å; I318-A320 PolarHBondContact O-N 3.15Å; A320-Q323 PolarHBondContact O-N 2.95Å; A320-E324 WeakPolarHBondContact O-CB 3.36Å; A320-E324 PolarHBondContact O-N 2.79Å; A320-I465 HydrophobicContact CB-CD1 4.22Å; A320-I465 HydrophobicContact CB-CG2 3.39Å
321	L	94.1	Very high	95.2	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-62.9	-45	175.8	-70.4	172.4	0	0	0	111.6	F300 V302 L317 I318 Q323 F325 V353 L469 L472	F300-L321 HydrophobicContact CD1-CD1 4.24Å; F300-L321 HydrophobicContact CD1-CD2 4.49Å; F300-L321 HydrophobicContact CE1-CD2 4.01Å; F300-L321 HydrophobicContact CZ-CD2 4.46Å; V302-L321 HydrophobicContact CG2-CD1 4.27Å; L317-L321 HydrophobicContact CD1-CD1 3.93Å; L317-L321 HydrophobicContact CD1-CG 4.02Å; L317-L321 HydrophobicContact CG-CD1 4.05Å; L317-L321 VanDerWaalsContact O-CG 3.31Å; L317-L321 WeakPolarHBondContact O-CG 3.35Å; L317-L321 PolarHBondContact O-N 3.4Å; I318-L321 PolarHBondContact O-N 3.45Å; L321-Q323 VanDerWaalsContact C-N 3.33Å; L321-Q323 PolarHBondContact O-N 3.48Å; L321-F325 HydrophobicContact CD2-CD2 4.3Å; L321-F325 HydrophobicContact CD2-CE2 4.07Å; L321-F325 WeakPolarHBondContact O-CD2 3.29Å; L321-F325 PolarHBondContact O-N 3.44Å; L321-F325 VanDerWaalsContact O-N 3.11Å; L321-V353 HydrophobicContact CD1-CG2 4.18Å; L321-L469 HydrophobicContact CD2-CD2 4.07Å; L321-L472 HydrophobicContact CD2-CD1 3.62Å
322	V	93.3	Very high	95.1	Very high	52 Å²	52	55.9 Å²	55.9	32%	0.315	29%	0.29	S	S	.	.	H	α-helix	trans	-61.6	-43.2	177.5	171.9	0	0	0	0	110.9	I318 L319 Q326 M327 A329	I318-V322 HydrophobicContact CG2-CG2 4.4Å; I318-V322 VanDerWaalsContact O-CG2 3.28Å; I318-V322 WeakPolarHBondContact O-CG2 3.39Å; I318-V322 PolarHBondContact O-N 3.43Å; L319-V322 PolarHBondContact O-N 3.05Å; V322-Q326 VanDerWaalsContact O-CA 3.29Å; V322-Q326 WeakPolarHBondContact O-CA 3.47Å; V322-Q326 PolarHBondContact O-N 3.33Å; V322-M327 WeakPolarHBondContact CA-O 3.39Å; V322-M327 WeakPolarHBondContact CG2-O 3.4Å; V322-A329 HydrophobicContact CG2-CB 3.65Å
323	Q	92.8	Very high	95	Very high	135 Å²	135	52.2 Å²	52.2	63%	0.631	27%	0.271	S	S	*	.	H	α-helix	trans	-69.6	-43.9	179.8	-73.6	175.9	-2.2	0	0	113.1	L319 A320 L321 Q326	L319-Q323 WeakPolarHBondContact O-CB 3.19Å; L319-Q323 VanDerWaalsContact O-CG 3.25Å; L319-Q323 WeakPolarHBondContact O-CG 3.39Å; L319-Q323 PolarHBondContact O-N 3.1Å; A320-Q323 PolarHBondContact O-N 2.95Å; L321-Q323 VanDerWaalsContact C-N 3.33Å; L321-Q323 PolarHBondContact O-N 3.48Å; Q323-Q326 PolarHBondContact O-NE2 3.26Å
324	E	91.5	Very high	94.7	Very high	72 Å²	72	54.2 Å²	54.2	34%	0.336	28%	0.281	S	S	.	.	H	α-helix	trans	-68.1	-41.3	-177.7	-179.3	73.3	-168	0	0	111.7	A320 L469 R473	A320-E324 WeakPolarHBondContact O-CB 3.36Å; A320-E324 PolarHBondContact O-N 2.79Å; E324-L469 HydrophobicContact CB-CD1 4.26Å; E324-L469 HydrophobicContact CB-CD2 4.03Å; E324-L469 HydrophobicContact CG-CD1 4.37Å; E324-L469 HydrophobicContact CG-CD2 4.08Å; E324-R473 VanDerWaalsContact CD-NH2 3.34Å; E324-R473 IonicContact OE1-CZ 3.9Å; E324-R473 VanDerWaalsContact OE1-CZ 3.29Å; E324-R473 IonicContact OE1-NE 3.85Å; E324-R473 PolarHBondContact OE1-NE 3.13Å; E324-R473 IonicContact OE1-NH2 2.83Å; E324-R473 PolarHBondContact OE1-NH2 2.72Å; E324-R473 IonicContact OE2-CZ 3.37Å; E324-R473 IonicContact OE2-NH2 3.46Å; E324-R473 PolarHBondContact OE2-NH2 3.05Å
325	F	89.3	Confident	94.3	Very high	31 Å²	31	56.4 Å²	56.4	14%	0.136	29%	0.292	C	S	.	.	H	α-helix	trans	-105.8	-5.8	-170.2	-63.9	-71.5	0	0	0	114.4	F300 L321 M327 L469 L472 V476	F300-F325 HydrophobicContact CE1-CD2 4.22Å; F300-F325 HydrophobicContact CE2-CB 3.6Å; F300-F325 AromaticContact CE2-CD2 3.94Å; F300-F325 HydrophobicContact CE2-CD2 3.94Å; F300-F325 AromaticContact CE2-CG 3.99Å; F300-F325 HydrophobicContact CE2-CG 3.99Å; F300-F325 HydrophobicContact CZ-CB 3.78Å; F300-F325 AromaticContact CZ-CD2 3.32Å; F300-F325 HydrophobicContact CZ-CD2 3.32Å; F300-F325 HydrophobicContact CZ-CE2 4.04Å; F300-F325 AromaticContact CZ-CG 3.61Å; F300-F325 HydrophobicContact CZ-CG 3.61Å; L321-F325 HydrophobicContact CD2-CD2 4.3Å; L321-F325 HydrophobicContact CD2-CE2 4.07Å; L321-F325 WeakPolarHBondContact O-CD2 3.29Å; L321-F325 PolarHBondContact O-N 3.44Å; L321-F325 VanDerWaalsContact O-N 3.11Å; F325-M327 HydrophobicContact CB-CG 4.42Å; F325-M327 HydrophobicContact CB-SD 4.25Å; F325-M327 PolarHBondContact O-N 3Å; F325-L469 HydrophobicContact CE2-CD2 3.97Å; F325-L472 HydrophobicContact CE2-CB 4.21Å; F325-L472 HydrophobicContact CE2-CD1 3.94Å; F325-L472 HydrophobicContact CZ-CB 3.65Å; F325-L472 HydrophobicContact CZ-CD1 4.25Å; F325-V476 HydrophobicContact CD1-CB 4.32Å; F325-V476 HydrophobicContact CD1-CG1 4.08Å; F325-V476 HydrophobicContact CD1-CG2 3.86Å; F325-V476 HydrophobicContact CE1-CB 3.86Å; F325-V476 HydrophobicContact CE1-CG1 4.09Å; F325-V476 HydrophobicContact CE1-CG2 3.39Å; F325-V476 HydrophobicContact CZ-CG2 4.18Å
326	Q	89.3	Confident	93.8	Very high	165 Å²	165	60.8 Å²	60.8	77%	0.771	30%	0.3	S	S	*	.			trans	55	35	-179.4	-58.3	-64.9	-52.9	0	0	112.7	V322 Q323	V322-Q326 VanDerWaalsContact O-CA 3.29Å; V322-Q326 WeakPolarHBondContact O-CA 3.47Å; V322-Q326 PolarHBondContact O-N 3.33Å; Q323-Q326 PolarHBondContact O-NE2 3.26Å
327	M	90	Very high	93.5	Very high	16 Å²	16	57.9 Å²	57.9	8%	0.079	29%	0.286	C	S	.	.			trans	-118.3	144.1	177.7	-69.8	169.7	51.3	0	0	108.7	E298 Y299 F300 V322 F325	E298-M327 HydrophobicContact CB-CE 3.76Å; E298-M327 HydrophobicContact CB-CG 4.02Å; E298-M327 HydrophobicContact CB-SD 4.09Å; E298-M327 WeakPolarHBondContact O-CB 3.29Å; Y299-M327 VanDerWaalsContact C-CE 3.48Å; F300-M327 HydrophobicContact CD2-CB 3.76Å; F300-M327 HydrophobicContact CD2-CE 3.69Å; F300-M327 HydrophobicContact CD2-SD 4.24Å; F300-M327 HydrophobicContact CE2-CB 3.72Å; F300-M327 HydrophobicContact CE2-CE 3.64Å; F300-M327 HydrophobicContact CE2-CG 4.2Å; F300-M327 HydrophobicContact CE2-SD 3.62Å; F300-M327 HydrophobicContact CG-CE 4.47Å; F300-M327 HydrophobicContact CZ-CE 4.42Å; F300-M327 HydrophobicContact CZ-SD 4.33Å; V322-M327 WeakPolarHBondContact CA-O 3.39Å; V322-M327 WeakPolarHBondContact CG2-O 3.4Å; F325-M327 HydrophobicContact CB-CG 4.42Å; F325-M327 HydrophobicContact CB-SD 4.25Å; F325-M327 PolarHBondContact O-N 3Å
328	R	93.4	Very high	93.1	Very high	118 Å²	118	62.8 Å²	62.8	45%	0.445	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	152.8	169.7	40.9	161.4	-56.5	102.9	-9.4	110.5	D297 Y299 F300	D297-R328 WeakPolarHBondContact OD1-CD 3.42Å; D297-R328 WeakPolarHBondContact OD1-CG 3.12Å; D297-R328 WeakPolarHBondContact OD2-CD 3.45Å; D297-R328 IonicContact OD2-NE 3.77Å; Y299-R328 CarbonylContact C-O 3.57Å; Y299-R328 WeakPolarHBondContact CA-O 3.34Å; Y299-R328 VanDerWaalsContact CB-O 3.23Å; Y299-R328 WeakPolarHBondContact CB-O 3.25Å; F300-R328 PolarHBondContact N-O 3.27Å
329	A	94	Very high	92.9	Very high	26 Å²	26	62.7 Å²	62.7	22%	0.215	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	143.4	174	0	0	0	0	0	110.5	F300 I318 V322	F300-A329 HydrophobicContact CB-CB 4.17Å; F300-A329 CarbonylContact O-C 3.51Å; F300-A329 WeakPolarHBondContact O-CA 3.42Å; I318-A329 HydrophobicContact CG2-CB 3.78Å; V322-A329 HydrophobicContact CG2-CB 3.65Å
330	V	96.4	Very high	92.7	Very high	29 Å²	29	59.9 Å²	59.9	18%	0.176	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	125	176.2	-175.3	0	0	0	0	108.7	Y299 F300 V301 V302 V345	Y299-V330 HydrophobicContact CD2-CB 4.44Å; Y299-V330 HydrophobicContact CD2-CG2 3.91Å; Y299-V330 HydrophobicContact CE2-CG2 4.44Å; Y299-V330 HydrophobicContact CG-CG2 4.44Å; F300-V330 PolarHBondContact O-N 3.3Å; V301-V330 CarbonylContact C-O 3.53Å; V301-V330 VanDerWaalsContact CA-O 3.25Å; V301-V330 WeakPolarHBondContact CA-O 2.95Å; V302-V330 PolarHBondContact N-O 3.2Å; V330-V345 HydrophobicContact CB-CG1 4.21Å; V330-V345 HydrophobicContact CG1-CG1 3.78Å
331	T	97.3	Very high	92.6	Very high	50 Å²	50	67 Å²	67	31%	0.307	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	138.2	174.3	-51.6	0	0	0	0	110.4	V302 S304 I318	V302-T331 WeakPolarHBondContact O-CA 3.27Å; S304-T331 VanDerWaalsContact CB-CG2 3.46Å; I318-T331 WeakPolarHBondContact CD1-OG1 3.45Å
332	V	97.1	Very high	92.7	Very high	1 Å²	1	67 Å²	67	1%	0.006	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	146.8	174.3	-62.9	0	0	0	0	110.1	V301 V302 F303 S304 I342 V345	V301-V332 HydrophobicContact CG1-CB 4.4Å; V301-V332 HydrophobicContact CG1-CG1 4.04Å; V301-V332 HydrophobicContact CG1-CG2 3.45Å; V301-V332 VanDerWaalsContact CG1-CG2 3.45Å; V302-V332 PolarHBondContact O-N 3.04Å; F303-V332 CarbonylContact C-O 3.53Å; F303-V332 WeakPolarHBondContact CA-O 3.5Å; F303-V332 HydrophobicContact CD1-CG2 3.59Å; F303-V332 HydrophobicContact CD2-CG2 4.28Å; F303-V332 HydrophobicContact CE1-CG2 3.61Å; F303-V332 HydrophobicContact CE2-CG2 4.31Å; F303-V332 HydrophobicContact CG-CG2 3.93Å; F303-V332 HydrophobicContact CZ-CG2 3.99Å; S304-V332 PolarHBondContact N-O 3.09Å; V332-I342 HydrophobicContact CB-CG1 4.33Å; V332-I342 HydrophobicContact CB-CG2 4.49Å; V332-I342 HydrophobicContact CG2-CG2 4.42Å; V332-V345 HydrophobicContact CG1-CB 4.25Å; V332-V345 HydrophobicContact CG1-CG1 3.91Å
333	S	95.8	Very high	92.8	Very high	3 Å²	3	64.5 Å²	64.5	2%	0.021	31%	0.308	C	S	.	.			trans	-140.3	133.8	177.8	154.9	0	0	0	0	108.8	E335 E336 Q337 I342	S333-E335 PolarHBondContact O-N 3.35Å; S333-E335 PolarHBondContact OG-N 2.94Å; S333-E335 VanDerWaalsContact OG-N 3.12Å; S333-E335 PolarHBondContact OG-OE2 2.68Å; S333-E336 PolarHBondContact OG-N 3.45Å; S333-E336 VanDerWaalsContact OG-N 3.15Å; S333-Q337 WeakPolarHBondContact O-CB 3.33Å; S333-Q337 PolarHBondContact O-N 3.49Å; S333-I342 WeakPolarHBondContact O-CD1 3.37Å
334	L	91.5	Very high	92.9	Very high	59 Å²	59	64.6 Å²	64.6	31%	0.309	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-24.3	175.3	-75.5	174.6	0	0	0	111.8	L170 F303 F339 I342 Q359	L170-L334 HydrophobicContact CD2-CD1 3.89Å; L170-L334 HydrophobicContact CD2-CD2 4.06Å; F303-L334 HydrophobicContact CE1-CG 4.37Å; L334-F339 HydrophobicContact CD2-CD2 4.12Å; L334-I342 HydrophobicContact CD2-CD1 3.63Å; L334-I342 HydrophobicContact CG-CD1 4.29Å; L334-Q359 HydrophobicContact CD1-CB 3.43Å; L334-Q359 VanDerWaalsContact CD1-CB 3.43Å; L334-Q359 HydrophobicContact CG-CB 4.22Å
335	E	89.2	Confident	93.1	Very high	86 Å²	86	62.5 Å²	62.5	40%	0.402	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-30.9	-179.4	-55.6	88.1	163.2	0	0	112.1	I307 S333	I307-E335 HydrophobicContact CD1-CG 4.35Å; S333-E335 PolarHBondContact O-N 3.35Å; S333-E335 PolarHBondContact OG-N 2.94Å; S333-E335 VanDerWaalsContact OG-N 3.12Å; S333-E335 PolarHBondContact OG-OE2 2.68Å
336	E	88.3	Confident	93.5	Very high	160 Å²	160	61 Å²	61	75%	0.748	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	-25.4	-175.6	-63	-176.7	175.3	0	0	114	S333	S333-E336 PolarHBondContact OG-N 3.45Å; S333-E336 VanDerWaalsContact OG-N 3.15Å
337	Q	91.6	Very high	93.8	Very high	59 Å²	59	54.2 Å²	54.2	28%	0.276	26%	0.263	S	S	.	.	S	Bend	trans	-121.3	143.8	-172	-58.3	175.3	-17.2	0	0	111.2	S333 I342	S333-Q337 WeakPolarHBondContact O-CB 3.33Å; S333-Q337 PolarHBondContact O-N 3.49Å; Q337-I342 HydrophobicContact CB-CD1 4.15Å; Q337-I342 HydrophobicContact CB-CG1 3.97Å
338	N	90.5	Very high	93.9	Very high	105 Å²	105	55.2 Å²	55.2	56%	0.561	28%	0.277	S	S	*	.			trans	-68.2	149.2	173	67	35.9	0	0	0	111.8	P340 R341 I342	N338-P340 VanDerWaalsContact C-CD 3.48Å; N338-R341 PolarHBondContact O-N 3.26Å; N338-R341 WeakPolarHBondContact OD1-CB 3.1Å; N338-R341 PolarHBondContact OD1-N 3.01Å; N338-I342 PolarHBondContact O-N 2.69Å
339	F	92.3	Very high	93.9	Very high	28 Å²	28	49.6 Å²	49.6	12%	0.123	26%	0.255	C	S	.	.	H	α-helix	trans	-57.2	-42	-176.3	-171.2	-104.3	0	0	0	114.4	L170 F174 L211 L334 R341 I342 V343 F365	L170-F339 HydrophobicContact CD1-CE2 4.35Å; L170-F339 HydrophobicContact CD2-CD2 4.42Å; L170-F339 HydrophobicContact CD2-CE2 3.9Å; F174-F339 HydrophobicContact CE2-CE1 4.06Å; F174-F339 HydrophobicContact CE2-CE2 4.22Å; F174-F339 AromaticContact CE2-CZ 3.51Å; F174-F339 HydrophobicContact CE2-CZ 3.51Å; F174-F339 AromaticContact CZ-CE1 3.62Å; F174-F339 HydrophobicContact CZ-CE1 3.62Å; F174-F339 HydrophobicContact CZ-CE2 4.46Å; F174-F339 AromaticContact CZ-CZ 3.37Å; F174-F339 HydrophobicContact CZ-CZ 3.37Å; L211-F339 HydrophobicContact CD1-CD1 4.49Å; L211-F339 HydrophobicContact CD1-CE1 4.4Å; L211-F339 HydrophobicContact CD2-CD1 3.54Å; L211-F339 HydrophobicContact CD2-CE1 3.81Å; L211-F339 HydrophobicContact CD2-CG 4.39Å; L334-F339 HydrophobicContact CD2-CD2 4.12Å; F339-R341 VanDerWaalsContact C-N 3.29Å; F339-R341 PolarHBondContact O-N 2.99Å; F339-I342 WeakPolarHBondContact O-CB 3.28Å; F339-I342 PolarHBondContact O-N 3.11Å; F339-I342 VanDerWaalsContact O-N 3.13Å; F339-V343 HydrophobicContact CD1-CG2 3.82Å; F339-V343 HydrophobicContact CE1-CG2 3.38Å; F339-V343 HydrophobicContact CE2-CG2 4.12Å; F339-V343 HydrophobicContact CG-CG2 4.39Å; F339-V343 HydrophobicContact CZ-CG2 3.55Å; F339-V343 WeakPolarHBondContact O-CG2 3.49Å; F339-V343 PolarHBondContact O-N 3.4Å; F339-F365 HydrophobicContact CE1-CE2 4.37Å; F339-F365 HydrophobicContact CE1-CZ 4.43Å; F339-F365 AromaticContact CZ-CE2 3.88Å; F339-F365 HydrophobicContact CZ-CE2 3.88Å; F339-F365 HydrophobicContact CZ-CZ 4.34Å
340	P	93.6	Very high	93.9	Very high	48 Å²	48	49.4 Å²	49.4	31%	0.312	25%	0.253	S	S	.	.	H	α-helix	trans	-60.6	-35.9	178.7	-23	34	0	0	0	113.3	L281 I283 N338 K344	L281-P340 HydrophobicContact CD2-CB 4.17Å; L281-P340 HydrophobicContact CD2-CG 3.82Å; I283-P340 WeakPolarHBondContact CD1-O 3.39Å; N338-P340 VanDerWaalsContact C-CD 3.48Å; P340-K344 WeakPolarHBondContact O-CB 3.36Å; P340-K344 PolarHBondContact O-N 2.89Å
341	R	93.1	Very high	93.9	Very high	163 Å²	163	48.1 Å²	48.1	62%	0.615	25%	0.245	S	C	*	.	H	α-helix	trans	-68.1	-40.3	176	-177.3	153.3	-177.7	148.2	-3	111.9	N338 F339 K344 V345	N338-R341 PolarHBondContact O-N 3.26Å; N338-R341 WeakPolarHBondContact OD1-CB 3.1Å; N338-R341 PolarHBondContact OD1-N 3.01Å; F339-R341 VanDerWaalsContact C-N 3.29Å; F339-R341 PolarHBondContact O-N 2.99Å; R341-K344 PolarHBondContact O-N 2.77Å; R341-V345 WeakPolarHBondContact O-CG2 3.22Å; R341-V345 PolarHBondContact O-N 3.01Å
342	I	95.8	Very high	93.9	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-61.6	-48.9	175.5	-63.7	170.1	0	0	0	110	F303 V332 S333 L334 Q337 N338 F339 K344 V345 I346	F303-I342 HydrophobicContact CE1-CG2 4.08Å; F303-I342 HydrophobicContact CZ-CG2 3.86Å; V332-I342 HydrophobicContact CB-CG1 4.33Å; V332-I342 HydrophobicContact CB-CG2 4.49Å; V332-I342 HydrophobicContact CG2-CG2 4.42Å; S333-I342 WeakPolarHBondContact O-CD1 3.37Å; L334-I342 HydrophobicContact CD2-CD1 3.63Å; L334-I342 HydrophobicContact CG-CD1 4.29Å; Q337-I342 HydrophobicContact CB-CD1 4.15Å; Q337-I342 HydrophobicContact CB-CG1 3.97Å; N338-I342 PolarHBondContact O-N 2.69Å; F339-I342 WeakPolarHBondContact O-CB 3.28Å; F339-I342 PolarHBondContact O-N 3.11Å; F339-I342 VanDerWaalsContact O-N 3.13Å; I342-K344 VanDerWaalsContact C-N 3.31Å; I342-K344 PolarHBondContact O-N 3.2Å; I342-V345 PolarHBondContact O-N 3.13Å; I342-V345 VanDerWaalsContact O-N 3.16Å; I342-I346 HydrophobicContact CG2-CD1 3.58Å; I342-I346 HydrophobicContact CG2-CG1 4.29Å; I342-I346 WeakPolarHBondContact O-CB 3.41Å; I342-I346 WeakPolarHBondContact O-CG1 3.26Å; I342-I346 PolarHBondContact O-N 3.25Å
343	V	96.6	Very high	94	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-58.5	-43.4	176.8	175.5	0	0	0	0	111.2	M278 L281 I283 F339 V345 I346 S347 F365	M278-V343 HydrophobicContact CG-CG1 3.79Å; M278-V343 HydrophobicContact SD-CG1 4.31Å; L281-V343 HydrophobicContact CD1-CG2 4.41Å; I283-V343 HydrophobicContact CD1-CB 3.72Å; I283-V343 HydrophobicContact CD1-CG1 3.52Å; F339-V343 HydrophobicContact CD1-CG2 3.82Å; F339-V343 HydrophobicContact CE1-CG2 3.38Å; F339-V343 HydrophobicContact CE2-CG2 4.12Å; F339-V343 HydrophobicContact CG-CG2 4.39Å; F339-V343 HydrophobicContact CZ-CG2 3.55Å; F339-V343 WeakPolarHBondContact O-CG2 3.49Å; F339-V343 PolarHBondContact O-N 3.4Å; V343-V345 VanDerWaalsContact C-N 3.33Å; V343-V345 PolarHBondContact O-N 3.13Å; V343-I346 PolarHBondContact O-N 2.95Å; V343-S347 VanDerWaalsContact O-CB 3.29Å; V343-S347 WeakPolarHBondContact O-CB 3.49Å; V343-S347 PolarHBondContact O-N 2.92Å; V343-S347 PolarHBondContact O-OG 2.81Å; V343-F365 HydrophobicContact CG1-CB 4.2Å; V343-F365 HydrophobicContact CG1-CD1 3.68Å; V343-F365 HydrophobicContact CG1-CD2 4.08Å; V343-F365 HydrophobicContact CG1-CE1 4.01Å; V343-F365 HydrophobicContact CG1-CE2 4.41Å; V343-F365 HydrophobicContact CG1-CG 3.71Å; V343-F365 HydrophobicContact CG1-CZ 4.36Å; V343-F365 HydrophobicContact CG2-CD2 3.92Å; V343-F365 HydrophobicContact CG2-CE2 3.78Å; V343-F365 HydrophobicContact CG2-CG 4.4Å; V343-F365 HydrophobicContact CG2-CZ 4.09Å
344	K	95	Very high	94.1	Very high	138 Å²	138	45.6 Å²	45.6	60%	0.6	23%	0.229	S	C	*	.	H	α-helix	trans	-58.2	-45.4	177.1	-178.3	172.7	-178.5	171.4	0	111.7	I283 P340 R341 I342 S347	I283-K344 HydrophobicContact CD1-CB 4.29Å; I283-K344 HydrophobicContact CG1-CB 4.42Å; I283-K344 HydrophobicContact CG2-CB 4.26Å; I283-K344 HydrophobicContact CG2-CG 4.4Å; P340-K344 WeakPolarHBondContact O-CB 3.36Å; P340-K344 PolarHBondContact O-N 2.89Å; R341-K344 PolarHBondContact O-N 2.77Å; I342-K344 VanDerWaalsContact C-N 3.31Å; I342-K344 PolarHBondContact O-N 3.2Å; K344-S347 PolarHBondContact O-OG 3.02Å
345	V	95.5	Very high	94.4	Very high	28 Å²	28	42.8 Å²	42.8	17%	0.17	22%	0.215	C	C	.	.	H	α-helix	trans	-67.1	-43.2	177.6	173.3	0	0	0	0	111.1	Y299 V301 V330 V332 R341 I342 V343 S347	Y299-V345 HydrophobicContact CE2-CG1 4.01Å; Y299-V345 WeakPolarHBondContact CE2-O 3.39Å; Y299-V345 PolarHBondContact OH-O 3.46Å; V301-V345 HydrophobicContact CG2-CG1 3.63Å; V330-V345 HydrophobicContact CB-CG1 4.21Å; V330-V345 HydrophobicContact CG1-CG1 3.78Å; V332-V345 HydrophobicContact CG1-CB 4.25Å; V332-V345 HydrophobicContact CG1-CG1 3.91Å; R341-V345 WeakPolarHBondContact O-CG2 3.22Å; R341-V345 PolarHBondContact O-N 3.01Å; I342-V345 PolarHBondContact O-N 3.13Å; I342-V345 VanDerWaalsContact O-N 3.16Å; V343-V345 VanDerWaalsContact C-N 3.33Å; V343-V345 PolarHBondContact O-N 3.13Å; V345-S347 PolarHBondContact O-N 3.39Å
346	I	96.5	Very high	94.8	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-68	-36.6	-179.3	-69.8	176.6	0	0	0	111.8	V301 F303 I342 V343 G348 A349 L352 S362 F365 L366	V301-I346 HydrophobicContact CG1-CG1 4.17Å; F303-I346 HydrophobicContact CE2-CD1 3.71Å; F303-I346 HydrophobicContact CZ-CD1 3.64Å; I342-I346 HydrophobicContact CG2-CD1 3.58Å; I342-I346 HydrophobicContact CG2-CG1 4.29Å; I342-I346 WeakPolarHBondContact O-CB 3.41Å; I342-I346 WeakPolarHBondContact O-CG1 3.26Å; I342-I346 PolarHBondContact O-N 3.25Å; V343-I346 PolarHBondContact O-N 2.95Å; I346-G348 PolarHBondContact O-N 3.16Å; I346-A349 WeakPolarHBondContact O-CB 3.26Å; I346-A349 PolarHBondContact O-N 3.34Å; I346-L352 HydrophobicContact CD1-CD1 4.35Å; I346-L352 HydrophobicContact CG1-CD1 4.4Å; I346-S362 VanDerWaalsContact CD1-OG 3.24Å; I346-S362 WeakPolarHBondContact CD1-OG 3.3Å; I346-S362 WeakPolarHBondContact CG2-O 3.11Å; I346-F365 HydrophobicContact CG2-CB 4.22Å; I346-L366 HydrophobicContact CG2-CD2 3.79Å; I346-L366 HydrophobicContact CG2-CG 3.91Å
347	S	95.7	Very high	95.2	Very high	22 Å²	22	32.1 Å²	32.1	15%	0.154	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-19.5	-177.4	71.2	0	0	0	0	114.9	V343 K344 V345 F365	V343-S347 VanDerWaalsContact O-CB 3.29Å; V343-S347 WeakPolarHBondContact O-CB 3.49Å; V343-S347 PolarHBondContact O-N 2.92Å; V343-S347 PolarHBondContact O-OG 2.81Å; K344-S347 PolarHBondContact O-OG 3.02Å; V345-S347 PolarHBondContact O-N 3.39Å; S347-F365 WeakPolarHBondContact CA-O 3.42Å
348	G	92.3	Very high	95.3	Very high	36 Å²	36	30.3 Å²	30.3	37%	0.371	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-2.4	174.5	0	0	0	0	0	114.8	Y299 I346	Y299-G348 WeakPolarHBondContact CE1-O 3.16Å; Y299-G348 VanDerWaalsContact OH-CA 3.29Å; Y299-G348 WeakPolarHBondContact OH-CA 3.44Å; I346-G348 PolarHBondContact O-N 3.16Å
349	A	94.5	Very high	95.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.136	C	C	.	.			trans	-75	141.8	-172.6	0	0	0	0	0	112.4	Y299 V301 I346 L366 P367	Y299-A349 HydrophobicContact CD2-CB 4.31Å; Y299-A349 HydrophobicContact CE2-CB 3.82Å; Y299-A349 PolarHBondContact OH-N 2.7Å; V301-A349 HydrophobicContact CB-CB 4.25Å; V301-A349 HydrophobicContact CG2-CB 3.46Å; V301-A349 VanDerWaalsContact CG2-CB 3.46Å; I346-A349 WeakPolarHBondContact O-CB 3.26Å; I346-A349 PolarHBondContact O-N 3.34Å; A349-L366 HydrophobicContact CB-CD2 3.98Å; A349-P367 WeakPolarHBondContact O-CD 3.36Å; A349-P367 VanDerWaalsContact O-CG 3.25Å; A349-P367 WeakPolarHBondContact O-CG 3.14Å
350	S	93.8	Very high	95.8	Very high	23 Å²	23	24.4 Å²	24.4	16%	0.161	13%	0.13	C	C	.	.	S	Bend	trans	-87.4	-30.7	174.1	-65.5	0	0	0	0	111.9	Y299 A370 V371	Y299-S350 PolarHBondContact O-N 2.83Å; Y299-S350 VanDerWaalsContact O-N 3.09Å; S350-A370 VanDerWaalsContact O-CA 3.26Å; S350-A370 WeakPolarHBondContact O-CA 2.95Å; S350-A370 WeakPolarHBondContact O-CB 3.49Å; S350-V371 PolarHBondContact O-N 3.18Å
351	I	95.9	Very high	96	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.01	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	131.3	179.9	-57.4	179	0	0	0	108.9	F300 V301 V353 V371 V373	F300-I351 CarbonylContact C-O 3.56Å; F300-I351 WeakPolarHBondContact CA-O 3.24Å; F300-I351 HydrophobicContact CD1-CB 3.61Å; F300-I351 HydrophobicContact CD1-CD1 4.19Å; F300-I351 HydrophobicContact CD1-CG1 4.41Å; F300-I351 HydrophobicContact CD1-CG2 3.61Å; F300-I351 HydrophobicContact CE1-CB 3.69Å; F300-I351 HydrophobicContact CE1-CD1 3.38Å; F300-I351 HydrophobicContact CE1-CG1 4.05Å; F300-I351 HydrophobicContact CE1-CG2 3.57Å; F300-I351 HydrophobicContact CE2-CD1 4.22Å; F300-I351 HydrophobicContact CG-CB 4.31Å; F300-I351 HydrophobicContact CZ-CB 4.41Å; F300-I351 HydrophobicContact CZ-CD1 3.38Å; F300-I351 HydrophobicContact CZ-CG1 4.36Å; V301-I351 PolarHBondContact N-O 2.93Å; I351-V353 HydrophobicContact CG2-CG2 4.01Å; I351-V371 CarbonylContact C-O 3.58Å; I351-V371 WeakPolarHBondContact CA-O 3.27Å; I351-V371 HydrophobicContact CB-CB 4.49Å; I351-V371 HydrophobicContact CG1-CB 4.03Å; I351-V371 HydrophobicContact CG1-CG2 4.09Å; I351-V371 HydrophobicContact CG2-CB 4.23Å; I351-V373 HydrophobicContact CG2-CG2 3.64Å
352	L	98	Very high	96.3	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	120	172.6	179.6	62.3	0	0	0	109.4	V301 F303 I346 L360 L366 V371 V373	V301-L352 HydrophobicContact CB-CD1 3.82Å; V301-L352 HydrophobicContact CG1-CD1 3.64Å; V301-L352 CarbonylContact O-C 3.56Å; V301-L352 WeakPolarHBondContact O-CA 3.4Å; F303-L352 HydrophobicContact CD2-CD1 3.7Å; F303-L352 HydrophobicContact CD2-CG 4.44Å; F303-L352 HydrophobicContact CE2-CD1 3.74Å; F303-L352 HydrophobicContact CE2-CD2 4.27Å; F303-L352 HydrophobicContact CE2-CG 4.47Å; I346-L352 HydrophobicContact CD1-CD1 4.35Å; I346-L352 HydrophobicContact CG1-CD1 4.4Å; L352-L360 HydrophobicContact CD2-CD2 4.11Å; L352-L360 HydrophobicContact CG-CD2 4.43Å; L352-L366 HydrophobicContact CB-CD1 3.91Å; L352-L366 HydrophobicContact CB-CD2 4.2Å; L352-L366 HydrophobicContact CD2-CD1 4.07Å; L352-V371 PolarHBondContact N-O 3.27Å; L352-V373 PolarHBondContact O-N 2.85Å
353	V	98.3	Very high	96.4	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	129.1	178.1	-171.4	0	0	0	0	109.4	F300 V301 V302 F303 L321 I351 V373 L375	F300-V353 HydrophobicContact CD1-CG2 4.01Å; V301-V353 PolarHBondContact O-N 3.4Å; V302-V353 WeakPolarHBondContact CA-O 3.49Å; V302-V353 HydrophobicContact CG2-CB 4.31Å; F303-V353 PolarHBondContact N-O 2.87Å; L321-V353 HydrophobicContact CD1-CG2 4.18Å; I351-V353 HydrophobicContact CG2-CG2 4.01Å; V353-V373 WeakPolarHBondContact CA-O 3.19Å; V353-V373 HydrophobicContact CB-CB 4.36Å; V353-V373 HydrophobicContact CG1-CB 4.31Å; V353-V373 HydrophobicContact CG1-CG1 4.18Å; V353-V373 HydrophobicContact CG2-CB 4.04Å; V353-V373 HydrophobicContact CG2-CG1 4.49Å; V353-V373 HydrophobicContact CG2-CG2 4.26Å; V353-L375 HydrophobicContact CG1-CD1 4.01Å; V353-L375 HydrophobicContact CG1-CD2 4.45Å; V353-L375 HydrophobicContact CG1-CG 4.26Å
354	S	98	Very high	96.4	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	145.8	179.3	-178.5	0	0	0	0	112	Q359 V373 L375	S354-Q359 PolarHBondContact OG-NE2 3.09Å; S354-V373 PolarHBondContact N-O 3.14Å; S354-L375 PolarHBondContact O-N 3.44Å
355	M	98.1	Very high	96.6	Very high	1 Å²	1	8.2 Å²	8.2	1%	0.005	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	140.6	159.2	-66.8	-61.9	-65.3	0	0	110.5	R309 I311 G357 Q359 L375 P377 T461	R309-M355 HydrophobicContact CB-CB 4.23Å; R309-M355 WeakPolarHBondContact O-CG 3.41Å; I311-M355 HydrophobicContact CD1-CG 4.06Å; I311-M355 HydrophobicContact CG1-CG 3.56Å; I311-M355 HydrophobicContact CG1-SD 4.01Å; M355-G357 PolarHBondContact O-N 3Å; M355-Q359 PolarHBondContact O-NE2 3.26Å; M355-L375 CarbonylContact C-O 3.59Å; M355-L375 WeakPolarHBondContact CA-O 3.38Å; M355-L375 HydrophobicContact SD-CB 3.44Å; M355-L375 WeakPolarHBondContact SD-CB 3.28Å; M355-L375 HydrophobicContact SD-CD1 4.04Å; M355-L375 HydrophobicContact SD-CG 4.38Å; M355-P377 HydrophobicContact CE-CB 4.48Å; M355-P377 HydrophobicContact CE-CG 3.71Å; M355-T461 WeakPolarHBondContact CE-OG1 3.41Å
356	H	97.6	Very high	96.6	Very high	18 Å²	18	6.9 Å²	6.9	8%	0.083	5%	0.052	C	C	.	.	S	Bend	trans	-47.8	126.8	176.2	176.6	91.4	0	0	0	109.6	R309 E374 L375 F376	R309-H356 VanDerWaalsContact CD-O 3.25Å; R309-H356 WeakPolarHBondContact CD-O 3.45Å; R309-H356 PolarHBondContact NH1-O 3.43Å; H356-E374 HydrophobicContact CB-CG 4.34Å; H356-E374 IonicContact CE1-OE1 2.79Å; H356-E374 IonicContact CG-OE1 3.68Å; H356-E374 IonicContact ND1-OE1 3.6Å; H356-E374 PolarHBondContact ND1-OE1 3.05Å; H356-L375 PolarHBondContact N-O 3.49Å; H356-F376 HydrophobicContact CB-CD1 3.9Å; H356-F376 HydrophobicContact CB-CE1 3.97Å; H356-F376 HydrophobicContact CB-CG 4.48Å; H356-F376 AromaticContact CG-CE1 3.74Å; H356-F376 AromaticContact ND1-CE1 3.24Å; H356-F376 WeakPolarHBondContact ND1-CE1 3.47Å; H356-F376 AromaticContact ND1-CZ 3.75Å
357	G	95.8	Very high	96.6	Very high	4 Å²	4	8.8 Å²	8.8	4%	0.041	6%	0.064	C	C	.	.	S	Bend	trans	166.4	175.2	179.1	0	0	0	0	0	113.3	R309 M355 Q359 L360 Y388	R309-G357 VanDerWaalsContact NH1-CA 3.28Å; M355-G357 PolarHBondContact O-N 3Å; G357-Q359 PolarHBondContact O-N 2.84Å; G357-Q359 VanDerWaalsContact O-N 3.13Å; G357-L360 PolarHBondContact O-N 2.99Å; G357-L360 VanDerWaalsContact O-N 3.16Å; G357-Y388 WeakPolarHBondContact O-CE2 3.39Å; G357-Y388 VanDerWaalsContact O-CZ 3.3Å; G357-Y388 PolarHBondContact O-OH 3.33Å
358	A	95.4	Very high	96.4	Very high	21 Å²	21	13.7 Å²	13.7	17%	0.174	8%	0.079	C	C	.	.	G	3₁₀ helix	trans	-56.5	-32.1	-170.5	0	0	0	0	0	114.4	N169 L170 M171 L360 V361 Y388	N169-A358 WeakPolarHBondContact OD1-CB 3.31Å; L170-A358 HydrophobicContact CB-CB 4.22Å; M171-A358 HydrophobicContact CB-CB 4.08Å; A358-L360 PolarHBondContact O-N 2.86Å; A358-V361 WeakPolarHBondContact O-CB 3.46Å; A358-V361 VanDerWaalsContact O-CG1 3.23Å; A358-V361 WeakPolarHBondContact O-CG1 3.36Å; A358-V361 PolarHBondContact O-N 2.9Å; A358-Y388 WeakPolarHBondContact CA-OH 3.45Å; A358-Y388 PolarHBondContact O-OH 2.95Å
359	Q	95.4	Very high	96.3	Very high	8 Å²	8	12.6 Å²	12.6	4%	0.037	7%	0.068	C	C	.	.	G	3₁₀ helix	trans	-63	-24.5	-178.7	76.4	-75.5	8.8	0	0	114	F303 R305 L334 S354 M355 G357 V361 S362	F303-Q359 HydrophobicContact CB-CG 4.26Å; F303-Q359 HydrophobicContact CD1-CB 4.23Å; F303-Q359 HydrophobicContact CD1-CG 3.74Å; F303-Q359 HydrophobicContact CD2-CG 3.94Å; F303-Q359 HydrophobicContact CE1-CB 4Å; F303-Q359 HydrophobicContact CE1-CG 3.99Å; F303-Q359 HydrophobicContact CE2-CB 4.49Å; F303-Q359 HydrophobicContact CE2-CG 4.16Å; F303-Q359 HydrophobicContact CG-CG 3.72Å; F303-Q359 HydrophobicContact CZ-CB 4.13Å; F303-Q359 HydrophobicContact CZ-CG 4.19Å; R305-Q359 VanDerWaalsContact NH2-CD 3.33Å; L334-Q359 HydrophobicContact CD1-CB 3.43Å; L334-Q359 VanDerWaalsContact CD1-CB 3.43Å; L334-Q359 HydrophobicContact CG-CB 4.22Å; S354-Q359 PolarHBondContact OG-NE2 3.09Å; M355-Q359 PolarHBondContact O-NE2 3.26Å; G357-Q359 PolarHBondContact O-N 2.84Å; G357-Q359 VanDerWaalsContact O-N 3.13Å; Q359-V361 PolarHBondContact O-N 2.85Å; Q359-V361 VanDerWaalsContact O-N 3.14Å; Q359-S362 VanDerWaalsContact O-CB 3.3Å; Q359-S362 WeakPolarHBondContact O-CB 3.43Å; Q359-S362 PolarHBondContact O-N 3.38Å; Q359-S362 PolarHBondContact O-OG 2.92Å
360	L	97.7	Very high	96.3	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.069	C	C	.	.	G	3₁₀ helix	trans	-66	-12.5	177.6	-89.7	170.9	0	0	0	113.3	L352 G357 A358 S362 S363 V372 E374 Y388	L352-L360 HydrophobicContact CD2-CD2 4.11Å; L352-L360 HydrophobicContact CG-CD2 4.43Å; G357-L360 PolarHBondContact O-N 2.99Å; G357-L360 VanDerWaalsContact O-N 3.16Å; A358-L360 PolarHBondContact O-N 2.86Å; L360-S362 PolarHBondContact O-N 3.45Å; L360-S362 VanDerWaalsContact O-N 3.17Å; L360-S363 WeakPolarHBondContact O-CB 3.39Å; L360-S363 PolarHBondContact O-N 3.41Å; L360-S363 PolarHBondContact O-OG 3.5Å; L360-V372 HydrophobicContact CD2-CG1 3.92Å; L360-E374 HydrophobicContact CD1-CB 4.12Å; L360-E374 HydrophobicContact CD1-CG 3.56Å; L360-Y388 HydrophobicContact CB-CD1 3.91Å; L360-Y388 HydrophobicContact CB-CD2 3.53Å; L360-Y388 HydrophobicContact CB-CE1 3.76Å; L360-Y388 HydrophobicContact CB-CE2 3.32Å; L360-Y388 HydrophobicContact CB-CG 3.8Å; L360-Y388 VanDerWaalsContact CB-CZ 3.42Å; L360-Y388 HydrophobicContact CD1-CD2 3.75Å; L360-Y388 HydrophobicContact CD1-CE2 3.93Å; L360-Y388 HydrophobicContact CD1-CG 4.49Å; L360-Y388 HydrophobicContact CG-CD2 4.28Å; L360-Y388 HydrophobicContact CG-CE2 4.28Å
361	V	98.1	Very high	96.4	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.062	C	C	.	.	G	3₁₀ helix	trans	-60.5	-21.9	168.9	80.9	0	0	0	0	112	L170 M171 F174 A358 Q359 S363 L364 Y388	L170-V361 HydrophobicContact CB-CG1 4.42Å; L170-V361 HydrophobicContact CD2-CG1 4.15Å; L170-V361 HydrophobicContact CG-CG1 3.87Å; M171-V361 HydrophobicContact CB-CB 4.25Å; M171-V361 HydrophobicContact CG-CB 4.34Å; M171-V361 HydrophobicContact CG-CG2 4.38Å; F174-V361 HydrophobicContact CB-CB 4.49Å; F174-V361 HydrophobicContact CB-CG1 4.16Å; F174-V361 HydrophobicContact CB-CG2 3.52Å; F174-V361 HydrophobicContact CD2-CG1 3.83Å; F174-V361 HydrophobicContact CG-CG1 4.13Å; F174-V361 HydrophobicContact CG-CG2 4.19Å; A358-V361 WeakPolarHBondContact O-CB 3.46Å; A358-V361 VanDerWaalsContact O-CG1 3.23Å; A358-V361 WeakPolarHBondContact O-CG1 3.36Å; A358-V361 PolarHBondContact O-N 2.9Å; Q359-V361 PolarHBondContact O-N 2.85Å; Q359-V361 VanDerWaalsContact O-N 3.14Å; V361-S363 PolarHBondContact O-N 2.84Å; V361-L364 HydrophobicContact CG2-CD1 3.72Å; V361-L364 HydrophobicContact CG2-CG 4.35Å; V361-L364 WeakPolarHBondContact O-CB 3.11Å; V361-L364 VanDerWaalsContact O-CD1 3.29Å; V361-L364 WeakPolarHBondContact O-CD1 3.46Å; V361-L364 WeakPolarHBondContact O-CG 3.38Å; V361-L364 PolarHBondContact O-N 3.25Å; V361-L364 VanDerWaalsContact O-N 3.1Å; V361-Y388 HydrophobicContact CB-CE1 4.08Å
362	S	97.7	Very high	96.5	Very high	1 Å²	1	11.7 Å²	11.7	1%	0.007	6%	0.062	C	C	.	.	G	3₁₀ helix	trans	-61.8	-12.9	171.2	62.3	0	0	0	0	114	F303 I346 Q359 L360 L364 F365	F303-S362 VanDerWaalsContact CE2-OG 3.26Å; F303-S362 WeakPolarHBondContact CE2-OG 3.37Å; F303-S362 WeakPolarHBondContact CZ-OG 3.44Å; I346-S362 VanDerWaalsContact CD1-OG 3.24Å; I346-S362 WeakPolarHBondContact CD1-OG 3.3Å; I346-S362 WeakPolarHBondContact CG2-O 3.11Å; Q359-S362 VanDerWaalsContact O-CB 3.3Å; Q359-S362 WeakPolarHBondContact O-CB 3.43Å; Q359-S362 PolarHBondContact O-N 3.38Å; Q359-S362 PolarHBondContact O-OG 2.92Å; L360-S362 PolarHBondContact O-N 3.45Å; L360-S362 VanDerWaalsContact O-N 3.17Å; S362-L364 PolarHBondContact O-N 3.33Å; S362-L364 VanDerWaalsContact O-N 3.08Å; S362-F365 VanDerWaalsContact O-CD2 3.3Å; S362-F365 WeakPolarHBondContact O-CD2 3.33Å; S362-F365 PolarHBondContact O-N 3.44Å
363	S	98.1	Very high	96.5	Very high	1 Å²	1	11.7 Å²	11.7	1%	0.007	6%	0.062	C	C	.	.	G	3₁₀ helix	trans	-57.4	-18.9	169.2	59.5	0	0	0	0	113.7	L360 V361 F365 L366 L391	L360-S363 WeakPolarHBondContact O-CB 3.39Å; L360-S363 PolarHBondContact O-N 3.41Å; L360-S363 PolarHBondContact O-OG 3.5Å; V361-S363 PolarHBondContact O-N 2.84Å; S363-F365 PolarHBondContact O-N 2.78Å; S363-F365 VanDerWaalsContact O-N 3.15Å; S363-L366 WeakPolarHBondContact O-CB 3.47Å; S363-L366 PolarHBondContact O-N 3.02Å; S363-L366 VanDerWaalsContact O-N 3.08Å; S363-L391 WeakPolarHBondContact OG-CD2 3.27Å
364	L	97.7	Very high	96.6	Very high	1 Å²	1	11.7 Å²	11.7	1%	0.005	6%	0.062	C	C	.	.	G	3₁₀ helix	trans	-53.8	-30.3	170.2	-63.1	167	0	0	0	112.7	F174 L179 W248 I270 A274 V361 S362 L391	F174-L364 HydrophobicContact CB-CD1 4.14Å; F174-L364 HydrophobicContact CD1-CD1 3.77Å; F174-L364 HydrophobicContact CG-CD1 4.2Å; L179-L364 HydrophobicContact CD1-CD1 4.46Å; W248-L364 HydrophobicContact CH2-CD2 4.1Å; I270-L364 HydrophobicContact CD1-CD2 4.46Å; I270-L364 HydrophobicContact CG2-CB 4.46Å; I270-L364 HydrophobicContact CG2-CD2 3.23Å; I270-L364 HydrophobicContact CG2-CG 4.39Å; A274-L364 WeakPolarHBondContact CB-O 3.33Å; V361-L364 HydrophobicContact CG2-CD1 3.72Å; V361-L364 HydrophobicContact CG2-CG 4.35Å; V361-L364 WeakPolarHBondContact O-CB 3.11Å; V361-L364 VanDerWaalsContact O-CD1 3.29Å; V361-L364 WeakPolarHBondContact O-CD1 3.46Å; V361-L364 WeakPolarHBondContact O-CG 3.38Å; V361-L364 PolarHBondContact O-N 3.25Å; V361-L364 VanDerWaalsContact O-N 3.1Å; S362-L364 PolarHBondContact O-N 3.33Å; S362-L364 VanDerWaalsContact O-N 3.08Å; L364-L391 HydrophobicContact CD2-CD1 3.53Å; L364-L391 HydrophobicContact CD2-CD2 3.58Å; L364-L391 HydrophobicContact CD2-CG 4.2Å; L364-L391 HydrophobicContact CG-CD2 4.01Å
365	F	97.8	Very high	96.6	Very high	7 Å²	7	11.7 Å²	11.7	3%	0.031	6%	0.062	C	C	.	.	G	3₁₀ helix	trans	-89.6	-5.7	-177.9	-56.1	-73.9	0	0	0	113.9	F174 A274 L277 M278 F339 V343 I346 S347 S362 S363	F174-F365 HydrophobicContact CE1-CE2 4.07Å; F174-F365 AromaticContact CE1-CZ 3.71Å; F174-F365 HydrophobicContact CE1-CZ 3.71Å; F174-F365 HydrophobicContact CZ-CE2 4.13Å; F174-F365 AromaticContact CZ-CZ 3.97Å; F174-F365 HydrophobicContact CZ-CZ 3.97Å; A274-F365 HydrophobicContact CB-CD1 3.89Å; A274-F365 HydrophobicContact CB-CE1 4.11Å; L277-F365 HydrophobicContact CB-CE1 4.47Å; L277-F365 HydrophobicContact CD2-CE1 4.16Å; L277-F365 HydrophobicContact CD2-CZ 3.84Å; M278-F365 HydrophobicContact CG-CD1 3.79Å; M278-F365 HydrophobicContact CG-CE1 4.16Å; M278-F365 HydrophobicContact SD-CD1 4.09Å; F339-F365 HydrophobicContact CE1-CE2 4.37Å; F339-F365 HydrophobicContact CE1-CZ 4.43Å; F339-F365 AromaticContact CZ-CE2 3.88Å; F339-F365 HydrophobicContact CZ-CE2 3.88Å; F339-F365 HydrophobicContact CZ-CZ 4.34Å; V343-F365 HydrophobicContact CG1-CB 4.2Å; V343-F365 HydrophobicContact CG1-CD1 3.68Å; V343-F365 HydrophobicContact CG1-CD2 4.08Å; V343-F365 HydrophobicContact CG1-CE1 4.01Å; V343-F365 HydrophobicContact CG1-CE2 4.41Å; V343-F365 HydrophobicContact CG1-CG 3.71Å; V343-F365 HydrophobicContact CG1-CZ 4.36Å; V343-F365 HydrophobicContact CG2-CD2 3.92Å; V343-F365 HydrophobicContact CG2-CE2 3.78Å; V343-F365 HydrophobicContact CG2-CG 4.4Å; V343-F365 HydrophobicContact CG2-CZ 4.09Å; I346-F365 HydrophobicContact CG2-CB 4.22Å; S347-F365 WeakPolarHBondContact CA-O 3.42Å; S362-F365 VanDerWaalsContact O-CD2 3.3Å; S362-F365 WeakPolarHBondContact O-CD2 3.33Å; S362-F365 PolarHBondContact O-N 3.44Å; S363-F365 PolarHBondContact O-N 2.78Å; S363-F365 VanDerWaalsContact O-N 3.15Å
366	L	97.1	Very high	96.6	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.062	C	C	.	.	P	Polyproline II helix	trans	-65.4	143.7	-178.5	-76.2	168.7	0	0	0	112.1	R271 I346 A349 L352 S363 A370 V372 L399	R271-L366 PolarHBondContact NH1-O 3.01Å; R271-L366 PolarHBondContact NH2-O 3.22Å; I346-L366 HydrophobicContact CG2-CD2 3.79Å; I346-L366 HydrophobicContact CG2-CG 3.91Å; A349-L366 HydrophobicContact CB-CD2 3.98Å; L352-L366 HydrophobicContact CB-CD1 3.91Å; L352-L366 HydrophobicContact CB-CD2 4.2Å; L352-L366 HydrophobicContact CD2-CD1 4.07Å; S363-L366 WeakPolarHBondContact O-CB 3.47Å; S363-L366 PolarHBondContact O-N 3.02Å; S363-L366 VanDerWaalsContact O-N 3.08Å; L366-A370 HydrophobicContact CB-CB 4.02Å; L366-A370 HydrophobicContact CD1-CB 4.47Å; L366-A370 HydrophobicContact CD2-CB 4.11Å; L366-A370 HydrophobicContact CG-CB 4.44Å; L366-V372 HydrophobicContact CD1-CG2 3.59Å; L366-L399 HydrophobicContact CB-CD1 4.47Å; L366-L399 HydrophobicContact CB-CD2 3.73Å; L366-L399 HydrophobicContact CD1-CD1 4.47Å; L366-L399 HydrophobicContact CD1-CD2 4.4Å
367	P	94.8	Very high	96.6	Very high	40 Å²	40	10.8 Å²	10.8	26%	0.26	6%	0.058	S	C	.	.	P	Polyproline II helix	trans	-65.9	157.3	173.9	28.4	-32.1	0	0	0	110.7	A349 G369 A370 L399	A349-P367 WeakPolarHBondContact O-CD 3.36Å; A349-P367 VanDerWaalsContact O-CG 3.25Å; A349-P367 WeakPolarHBondContact O-CG 3.14Å; P367-G369 PolarHBondContact O-N 2.9Å; P367-A370 HydrophobicContact CG-CB 4.15Å; P367-A370 VanDerWaalsContact O-CB 3.25Å; P367-A370 WeakPolarHBondContact O-CB 3.15Å; P367-A370 PolarHBondContact O-N 3.1Å; P367-L399 WeakPolarHBondContact O-CD2 3.44Å
368	R	92.6	Very high	96.7	Very high	124 Å²	124	11.5 Å²	11.5	47%	0.468	6%	0.059	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	138.4	173.5	-69.2	-176.6	157.7	143	4.7	110.5	R271 A370 D398	R271-R368 VanDerWaalsContact CZ-CG 3.5Å; R368-A370 VanDerWaalsContact C-N 3.3Å; R368-D398 HydrophobicContact CB-CB 4.13Å; R368-D398 VanDerWaalsContact CD-OD2 3.3Å; R368-D398 WeakPolarHBondContact CD-OD2 3.46Å; R368-D398 HydrophobicContact CG-CB 4.02Å; R368-D398 IonicContact CZ-OD2 2.68Å; R368-D398 IonicContact NE-OD2 3.29Å; R368-D398 PolarHBondContact NE-OD2 3.46Å; R368-D398 IonicContact NH2-OD2 3.21Å
369	G	90.6	Very high	96.8	Very high	14 Å²	14	10.5 Å²	10.5	14%	0.144	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.5	-9.9	-178.3	0	0	0	0	0	114.9	P367 D398 Q400	P367-G369 PolarHBondContact O-N 2.9Å; G369-D398 PolarHBondContact N-O 3.14Å; G369-Q400 PolarHBondContact O-NE2 3.03Å
370	A	94.4	Very high	96.9	Very high	3 Å²	3	10.1 Å²	10.1	3%	0.025	5%	0.049	C	C	.	.			trans	-65.6	158.4	176	0	0	0	0	0	112.1	S350 L366 P367 R368 L399 Q400	S350-A370 VanDerWaalsContact O-CA 3.26Å; S350-A370 WeakPolarHBondContact O-CA 2.95Å; S350-A370 WeakPolarHBondContact O-CB 3.49Å; L366-A370 HydrophobicContact CB-CB 4.02Å; L366-A370 HydrophobicContact CD1-CB 4.47Å; L366-A370 HydrophobicContact CD2-CB 4.11Å; L366-A370 HydrophobicContact CG-CB 4.44Å; P367-A370 HydrophobicContact CG-CB 4.15Å; P367-A370 VanDerWaalsContact O-CB 3.25Å; P367-A370 WeakPolarHBondContact O-CB 3.15Å; P367-A370 PolarHBondContact O-N 3.1Å; R368-A370 VanDerWaalsContact C-N 3.3Å; A370-L399 HydrophobicContact CB-CD2 4.06Å; A370-Q400 PolarHBondContact O-N 3.01Å
371	V	96.3	Very high	96.8	Very high	1 Å²	1	11.5 Å²	11.5	1%	0.006	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	130.1	-178.5	-168.9	0	0	0	0	110.1	S350 I351 L352 V373 Q400 V402 I475	S350-V371 PolarHBondContact O-N 3.18Å; I351-V371 CarbonylContact C-O 3.58Å; I351-V371 WeakPolarHBondContact CA-O 3.27Å; I351-V371 HydrophobicContact CB-CB 4.49Å; I351-V371 HydrophobicContact CG1-CB 4.03Å; I351-V371 HydrophobicContact CG1-CG2 4.09Å; I351-V371 HydrophobicContact CG2-CB 4.23Å; L352-V371 PolarHBondContact N-O 3.27Å; V371-V373 HydrophobicContact CG1-CG2 3.99Å; V371-Q400 CarbonylContact C-O 3.56Å; V371-Q400 WeakPolarHBondContact CA-O 3.44Å; V371-Q400 HydrophobicContact CB-CB 4.37Å; V371-Q400 HydrophobicContact CG1-CB 4.21Å; V371-Q400 HydrophobicContact CG2-CB 4.07Å; V371-V402 HydrophobicContact CG1-CG2 3.96Å; V371-I475 HydrophobicContact CG1-CG2 4.01Å; V371-I475 HydrophobicContact CG2-CG2 3.87Å
372	V	98.1	Very high	96.7	Very high	1 Å²	1	12.4 Å²	12.4	1%	0.006	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	122.3	165.9	-177.1	0	0	0	0	108	L360 L366 L399 Q400 Y401 V402	L360-V372 HydrophobicContact CD2-CG1 3.92Å; L366-V372 HydrophobicContact CD1-CG2 3.59Å; V372-L399 HydrophobicContact CG2-CD1 4.11Å; V372-Q400 PolarHBondContact N-O 2.9Å; V372-Y401 HydrophobicContact CB-CD2 4.24Å; V372-Y401 HydrophobicContact CG1-CD2 4.28Å; V372-Y401 CarbonylContact O-C 3.58Å; V372-Y401 WeakPolarHBondContact O-CA 3.35Å; V372-V402 PolarHBondContact O-N 3.06Å
373	V	98.1	Very high	96.5	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	103.6	177.1	-176.2	0	0	0	0	107.5	I351 L352 V353 S354 V371 L375 V402 L468 L472	I351-V373 HydrophobicContact CG2-CG2 3.64Å; L352-V373 PolarHBondContact O-N 2.85Å; V353-V373 WeakPolarHBondContact CA-O 3.19Å; V353-V373 HydrophobicContact CB-CB 4.36Å; V353-V373 HydrophobicContact CG1-CB 4.31Å; V353-V373 HydrophobicContact CG1-CG1 4.18Å; V353-V373 HydrophobicContact CG2-CB 4.04Å; V353-V373 HydrophobicContact CG2-CG1 4.49Å; V353-V373 HydrophobicContact CG2-CG2 4.26Å; S354-V373 PolarHBondContact N-O 3.14Å; V371-V373 HydrophobicContact CG1-CG2 3.99Å; V373-L375 HydrophobicContact CG1-CD2 4.01Å; V373-V402 WeakPolarHBondContact CA-O 3.43Å; V373-V402 HydrophobicContact CG1-CB 4.47Å; V373-V402 HydrophobicContact CG2-CB 4.37Å; V373-L468 HydrophobicContact CG1-CD1 4.03Å; V373-L472 HydrophobicContact CB-CD2 4.27Å; V373-L472 HydrophobicContact CG1-CD2 3.84Å; V373-L472 HydrophobicContact CG2-CD2 3.39Å
374	E	98.6	Very high	96.2	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	121	-177.4	-174.5	167.8	-170.2	0	0	110.4	H356 L360 F376 Y388 Y401 V402 A403 W404	H356-E374 HydrophobicContact CB-CG 4.34Å; H356-E374 IonicContact CE1-OE1 2.79Å; H356-E374 IonicContact CG-OE1 3.68Å; H356-E374 IonicContact ND1-OE1 3.6Å; H356-E374 PolarHBondContact ND1-OE1 3.05Å; L360-E374 HydrophobicContact CD1-CB 4.12Å; L360-E374 HydrophobicContact CD1-CG 3.56Å; E374-F376 HydrophobicContact CB-CE2 4.01Å; E374-F376 HydrophobicContact CG-CD2 4.14Å; E374-F376 HydrophobicContact CG-CE2 3.42Å; E374-F376 VanDerWaalsContact CG-CE2 3.42Å; E374-F376 HydrophobicContact CG-CZ 3.69Å; E374-F376 WeakPolarHBondContact OE1-CZ 3.25Å; E374-Y388 WeakPolarHBondContact OE1-CD2 3.3Å; E374-Y401 HydrophobicContact CB-CE2 3.87Å; E374-Y401 WeakPolarHBondContact OE2-CE2 3.39Å; E374-Y401 PolarHBondContact OE2-OH 3.11Å; E374-V402 PolarHBondContact N-O 2.77Å; E374-A403 CarbonylContact O-C 3.56Å; E374-A403 WeakPolarHBondContact O-CA 3.34Å; E374-W404 PolarHBondContact O-N 2.86Å
375	L	98.6	Very high	96	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	130.9	-179.1	-48.7	-179.1	0	0	0	109.8	I311 V353 S354 M355 H356 V373 W404 V463 L468	I311-L375 HydrophobicContact CD1-CD1 3.85Å; V353-L375 HydrophobicContact CG1-CD1 4.01Å; V353-L375 HydrophobicContact CG1-CD2 4.45Å; V353-L375 HydrophobicContact CG1-CG 4.26Å; S354-L375 PolarHBondContact O-N 3.44Å; M355-L375 CarbonylContact C-O 3.59Å; M355-L375 WeakPolarHBondContact CA-O 3.38Å; M355-L375 HydrophobicContact SD-CB 3.44Å; M355-L375 WeakPolarHBondContact SD-CB 3.28Å; M355-L375 HydrophobicContact SD-CD1 4.04Å; M355-L375 HydrophobicContact SD-CG 4.38Å; H356-L375 PolarHBondContact N-O 3.49Å; V373-L375 HydrophobicContact CG1-CD2 4.01Å; L375-W404 CarbonylContact C-O 3.53Å; L375-W404 WeakPolarHBondContact CA-O 3.48Å; L375-W404 HydrophobicContact CB-CE3 4.08Å; L375-W404 HydrophobicContact CD2-CB 3.8Å; L375-W404 HydrophobicContact CD2-CD2 4.31Å; L375-W404 HydrophobicContact CD2-CE3 3.94Å; L375-W404 HydrophobicContact CD2-CG 4.3Å; L375-V463 HydrophobicContact CD1-CG2 4.1Å; L375-L468 HydrophobicContact CD2-CD1 3.67Å; L375-L468 HydrophobicContact CD2-CD2 4.11Å
376	F	98.6	Very high	95.9	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	134.5	-178.7	-69.6	-94	0	0	0	110.7	H356 E374 V380 P382 A403 W404 R405 N406	H356-F376 HydrophobicContact CB-CD1 3.9Å; H356-F376 HydrophobicContact CB-CE1 3.97Å; H356-F376 HydrophobicContact CB-CG 4.48Å; H356-F376 AromaticContact CG-CE1 3.74Å; H356-F376 AromaticContact ND1-CE1 3.24Å; H356-F376 WeakPolarHBondContact ND1-CE1 3.47Å; H356-F376 AromaticContact ND1-CZ 3.75Å; E374-F376 HydrophobicContact CB-CE2 4.01Å; E374-F376 HydrophobicContact CG-CD2 4.14Å; E374-F376 HydrophobicContact CG-CE2 3.42Å; E374-F376 VanDerWaalsContact CG-CE2 3.42Å; E374-F376 HydrophobicContact CG-CZ 3.69Å; E374-F376 WeakPolarHBondContact OE1-CZ 3.25Å; F376-V380 HydrophobicContact CB-CB 4.38Å; F376-V380 HydrophobicContact CB-CG1 4.46Å; F376-V380 HydrophobicContact CD1-CB 4.4Å; F376-V380 HydrophobicContact CD1-CG1 3.61Å; F376-V380 HydrophobicContact CE1-CG1 4.36Å; F376-V380 HydrophobicContact CG-CG1 4.48Å; F376-P382 HydrophobicContact CD2-CB 3.68Å; F376-P382 HydrophobicContact CE1-CB 4.4Å; F376-P382 HydrophobicContact CE2-CB 3.5Å; F376-P382 HydrophobicContact CG-CB 4.2Å; F376-P382 HydrophobicContact CZ-CB 3.88Å; F376-A403 HydrophobicContact CD2-CB 4.34Å; F376-A403 HydrophobicContact CE2-CB 3.94Å; F376-W404 PolarHBondContact N-O 2.83Å; F376-R405 HydrophobicContact CB-CB 4.3Å; F376-R405 HydrophobicContact CB-CG 4.47Å; F376-N406 PolarHBondContact O-N 2.83Å
377	P	98.1	Very high	95.9	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.098	C	C	.	.			trans	-58.8	170	170.2	-21.6	32.6	0	0	0	112.6	M355 V380 R456 I457 Q459	M355-P377 HydrophobicContact CE-CB 4.48Å; M355-P377 HydrophobicContact CE-CG 3.71Å; P377-V380 HydrophobicContact CB-CG2 4.36Å; P377-V380 PolarHBondContact O-N 3.37Å; P377-R456 WeakPolarHBondContact CB-O 3.49Å; P377-I457 HydrophobicContact CG-CD1 4.37Å; P377-Q459 HydrophobicContact CB-CB 4.32Å
378	Y	97.9	Very high	96.1	Very high	20 Å²	20	18.1 Å²	18.1	8%	0.078	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	149	177.9	-179.5	-90.3	0	0	0	112.1	V380 N406 E409 S412	Y378-V380 PolarHBondContact O-N 2.54Å; Y378-N406 WeakPolarHBondContact CA-O 3.4Å; Y378-E409 HydrophobicContact CD2-CB 4.27Å; Y378-E409 HydrophobicContact CE1-CB 4.28Å; Y378-E409 HydrophobicContact CE1-CG 4.16Å; Y378-E409 HydrophobicContact CE2-CB 3.78Å; Y378-S412 WeakPolarHBondContact CB-OG 3.27Å
379	A	96.5	Very high	96.4	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	-4.6	-175.8	0	0	0	0	0	116.5	K440 E441 V442 R456	A379-K440 WeakPolarHBondContact CA-O 3.42Å; A379-K440 WeakPolarHBondContact CB-O 3.32Å; A379-E441 WeakPolarHBondContact O-CA 3.44Å; A379-V442 PolarHBondContact O-N 3.47Å; A379-R456 HydrophobicContact CB-CB 4.49Å; A379-R456 HydrophobicContact CB-CG 3.93Å
380	V	97.2	Very high	96.7	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.074	C	C	.	.			trans	-88.1	114.3	177.4	-179.2	0	0	0	0	110.5	F376 P377 Y378 P382 Y385 R405 W453 R456 I457	F376-V380 HydrophobicContact CB-CB 4.38Å; F376-V380 HydrophobicContact CB-CG1 4.46Å; F376-V380 HydrophobicContact CD1-CB 4.4Å; F376-V380 HydrophobicContact CD1-CG1 3.61Å; F376-V380 HydrophobicContact CE1-CG1 4.36Å; F376-V380 HydrophobicContact CG-CG1 4.48Å; P377-V380 HydrophobicContact CB-CG2 4.36Å; P377-V380 PolarHBondContact O-N 3.37Å; Y378-V380 PolarHBondContact O-N 2.54Å; V380-P382 WeakPolarHBondContact O-CD 3.47Å; V380-Y385 HydrophobicContact CG1-CD2 3.64Å; V380-Y385 HydrophobicContact CG1-CE2 3.99Å; V380-Y385 HydrophobicContact CG1-CG 4.46Å; V380-R405 VanDerWaalsContact O-CD 3.23Å; V380-R405 WeakPolarHBondContact O-CD 3.24Å; V380-R405 PolarHBondContact O-NE 3.48Å; V380-W453 HydrophobicContact CG1-CH2 4.32Å; V380-W453 HydrophobicContact CG1-CZ3 3.76Å; V380-W453 HydrophobicContact CG2-CZ3 4.21Å; V380-R456 HydrophobicContact CG2-CB 4.1Å; V380-I457 HydrophobicContact CG1-CD1 4.12Å; V380-I457 HydrophobicContact CG2-CD1 3.93Å
381	N	95.9	Very high	96.9	Very high	28 Å²	28	14.9 Å²	14.9	15%	0.15	7%	0.073	C	C	.	.			trans	-81.6	115.4	-177.4	-173.1	-22.4	0	0	0	112.4	E383 Q384 Y385 E441	N381-E383 PolarHBondContact O-N 3.04Å; N381-E383 VanDerWaalsContact O-N 3.1Å; N381-E383 WeakPolarHBondContact OD1-CB 3.34Å; N381-E383 PolarHBondContact OD1-N 2.89Å; N381-Q384 HydrophobicContact CB-CG 4.03Å; N381-Q384 PolarHBondContact ND2-NE2 3.2Å; N381-Q384 PolarHBondContact O-N 3.34Å; N381-Y385 VanDerWaalsContact O-CD2 3.27Å; N381-Y385 WeakPolarHBondContact O-CD2 3.17Å; N381-E441 HydrophobicContact CB-CG 4.21Å; N381-E441 PolarHBondContact ND2-OE1 3.3Å
382	P	95.8	Very high	96.9	Very high	19 Å²	19	15 Å²	15	12%	0.123	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-16.6	-178	26.8	-36.5	0	0	0	114.5	F376 V380 Q384 T386 A403 R405	F376-P382 HydrophobicContact CD2-CB 3.68Å; F376-P382 HydrophobicContact CE1-CB 4.4Å; F376-P382 HydrophobicContact CE2-CB 3.5Å; F376-P382 HydrophobicContact CG-CB 4.2Å; F376-P382 HydrophobicContact CZ-CB 3.88Å; V380-P382 WeakPolarHBondContact O-CD 3.47Å; P382-Q384 VanDerWaalsContact C-N 3.33Å; P382-T386 WeakPolarHBondContact O-CG2 3.28Å; P382-A403 HydrophobicContact CB-CB 3.6Å; P382-A403 HydrophobicContact CG-CB 4.23Å; P382-R405 HydrophobicContact CG-CB 4.48Å
383	E	94.4	Very high	96.8	Very high	114 Å²	114	19 Å²	19	53%	0.533	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-12.6	177	-63.7	-57.1	138.8	0	0	113	N381 K389	N381-E383 PolarHBondContact O-N 3.04Å; N381-E383 VanDerWaalsContact O-N 3.1Å; N381-E383 WeakPolarHBondContact OD1-CB 3.34Å; N381-E383 PolarHBondContact OD1-N 2.89Å; E383-K389 IonicContact OE1-NZ 2.7Å; E383-K389 PolarHBondContact OE1-NZ 2.95Å; E383-K389 IonicContact OE2-NZ 3.53Å; E383-K389 PolarHBondContact OE2-NZ 3.5Å
384	Q	91.6	Very high	96.5	Very high	30 Å²	30	19.5 Å²	19.5	14%	0.14	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-35.2	179.9	-57.4	-174.4	24.9	0	0	112.1	Y249 N381 P382 E441	Y249-Q384 PolarHBondContact OH-O 3.12Å; N381-Q384 HydrophobicContact CB-CG 4.03Å; N381-Q384 PolarHBondContact ND2-NE2 3.2Å; N381-Q384 PolarHBondContact O-N 3.34Å; P382-Q384 VanDerWaalsContact C-N 3.33Å; Q384-E441 PolarHBondContact NE2-OE1 2.78Å
385	Y	93.9	Very high	96.1	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.008	14%	0.135	C	C	.	.			trans	-109	79.6	-176.1	-50.5	-81.7	0	0	0	110.3	Q257 V380 N381 P387 H445 W453	Q257-Y385 VanDerWaalsContact CD-CE1 3.49Å; Q257-Y385 HydrophobicContact CG-CD1 3.93Å; Q257-Y385 HydrophobicContact CG-CE1 3.95Å; Q257-Y385 VanDerWaalsContact NE2-CE1 3.3Å; V380-Y385 HydrophobicContact CG1-CD2 3.64Å; V380-Y385 HydrophobicContact CG1-CE2 3.99Å; V380-Y385 HydrophobicContact CG1-CG 4.46Å; N381-Y385 VanDerWaalsContact O-CD2 3.27Å; N381-Y385 WeakPolarHBondContact O-CD2 3.17Å; Y385-P387 WeakPolarHBondContact O-CD 3.34Å; Y385-H445 AromaticContact CE1-CE1 3.71Å; Y385-H445 AromaticContact CZ-CE1 3.75Å; Y385-H445 PolarHBondContact OH-CE1 2.82Å; Y385-H445 PolarHBondContact OH-ND1 2.88Å; Y385-W453 HydrophobicContact CD1-CE3 4.35Å; Y385-W453 AromaticContact CD1-CH2 3.38Å; Y385-W453 HydrophobicContact CD1-CH2 3.38Å; Y385-W453 HydrophobicContact CD1-CZ2 4.07Å; Y385-W453 AromaticContact CD1-CZ3 3.56Å; Y385-W453 HydrophobicContact CD1-CZ3 3.56Å; Y385-W453 HydrophobicContact CD2-CH2 4.08Å; Y385-W453 AromaticContact CD2-CZ3 3.71Å; Y385-W453 HydrophobicContact CD2-CZ3 3.71Å; Y385-W453 HydrophobicContact CE1-CD2 4.23Å; Y385-W453 AromaticContact CE1-CE3 3.67Å; Y385-W453 HydrophobicContact CE1-CE3 3.67Å; Y385-W453 AromaticContact CE1-CH2 3.57Å; Y385-W453 HydrophobicContact CE1-CH2 3.57Å; Y385-W453 HydrophobicContact CE1-CZ2 4.15Å; Y385-W453 AromaticContact CE1-CZ3 3.31Å; Y385-W453 HydrophobicContact CE1-CZ3 3.31Å; Y385-W453 HydrophobicContact CE2-CE3 4.1Å; Y385-W453 HydrophobicContact CE2-CH2 4.27Å; Y385-W453 AromaticContact CE2-CZ3 3.49Å; Y385-W453 HydrophobicContact CE2-CZ3 3.49Å; Y385-W453 VanDerWaalsContact CE2-CZ3 3.49Å; Y385-W453 AromaticContact CG-CH2 3.68Å; Y385-W453 HydrophobicContact CG-CH2 3.68Å; Y385-W453 AromaticContact CG-CZ3 3.77Å; Y385-W453 HydrophobicContact CG-CZ3 3.77Å; Y385-W453 AromaticContact CZ-CE3 3.55Å; Y385-W453 AromaticContact CZ-CZ3 3.3Å
386	T	95.8	Very high	95.6	Very high	9 Å²	9	25 Å²	25	6%	0.055	15%	0.145	C	C	.	.			trans	-112	26.6	-163.2	48.6	0	0	0	0	117.1	Y249 P382 Y388 K389 T390	Y249-T386 PolarHBondContact OH-N 2.78Å; P382-T386 WeakPolarHBondContact O-CG2 3.28Å; T386-Y388 VanDerWaalsContact C-N 3.28Å; T386-Y388 PolarHBondContact O-N 2.97Å; T386-K389 HydrophobicContact CG2-CB 4.29Å; T386-K389 HydrophobicContact CG2-CD 3.93Å; T386-K389 PolarHBondContact O-N 3.26Å; T386-T390 WeakPolarHBondContact O-CB 3.3Å; T386-T390 PolarHBondContact O-N 3.02Å; T386-T390 PolarHBondContact O-OG1 3.1Å
387	P	97.1	Very high	95.3	Very high	10 Å²	10	25 Å²	25	7%	0.065	15%	0.145	C	C	.	.	H	α-helix	trans	-58.5	-38.7	-174.5	25.2	-33.1	0	0	0	113.1	M171 W248 Y249 Y385 L391	M171-P387 HydrophobicContact CE-CB 3.96Å; W248-P387 PolarHBondContact NE1-O 3.46Å; Y249-P387 HydrophobicContact CD1-CB 3.99Å; Y249-P387 VanDerWaalsContact CD2-CA 3.49Å; Y249-P387 HydrophobicContact CD2-CB 3.88Å; Y249-P387 HydrophobicContact CE1-CB 4.26Å; Y249-P387 HydrophobicContact CE1-CG 4.47Å; Y249-P387 HydrophobicContact CE2-CB 4.17Å; Y249-P387 HydrophobicContact CG-CB 3.79Å; Y385-P387 WeakPolarHBondContact O-CD 3.34Å; P387-L391 WeakPolarHBondContact O-CB 3.36Å; P387-L391 PolarHBondContact O-N 3.47Å
388	Y	98.4	Very high	95.1	Very high	5 Å²	5	28.2 Å²	28.2	2%	0.02	16%	0.162	C	C	.	.	H	α-helix	trans	-85.7	-31.7	-178.4	-49.8	-60	0	0	0	113	M171 G357 A358 L360 V361 E374 T386 T390 L391 A392	M171-Y388 HydrophobicContact CG-CE1 4.23Å; G357-Y388 WeakPolarHBondContact O-CE2 3.39Å; G357-Y388 VanDerWaalsContact O-CZ 3.3Å; G357-Y388 PolarHBondContact O-OH 3.33Å; A358-Y388 WeakPolarHBondContact CA-OH 3.45Å; A358-Y388 PolarHBondContact O-OH 2.95Å; L360-Y388 HydrophobicContact CB-CD1 3.91Å; L360-Y388 HydrophobicContact CB-CD2 3.53Å; L360-Y388 HydrophobicContact CB-CE1 3.76Å; L360-Y388 HydrophobicContact CB-CE2 3.32Å; L360-Y388 HydrophobicContact CB-CG 3.8Å; L360-Y388 VanDerWaalsContact CB-CZ 3.42Å; L360-Y388 HydrophobicContact CD1-CD2 3.75Å; L360-Y388 HydrophobicContact CD1-CE2 3.93Å; L360-Y388 HydrophobicContact CD1-CG 4.49Å; L360-Y388 HydrophobicContact CG-CD2 4.28Å; L360-Y388 HydrophobicContact CG-CE2 4.28Å; V361-Y388 HydrophobicContact CB-CE1 4.08Å; E374-Y388 WeakPolarHBondContact OE1-CD2 3.3Å; T386-Y388 VanDerWaalsContact C-N 3.28Å; T386-Y388 PolarHBondContact O-N 2.97Å; Y388-T390 VanDerWaalsContact C-N 3.32Å; Y388-L391 PolarHBondContact O-N 2.91Å; Y388-A392 VanDerWaalsContact O-CB 3.32Å; Y388-A392 WeakPolarHBondContact O-CB 3.36Å; Y388-A392 PolarHBondContact O-N 3.49Å
389	K	97.9	Very high	95	Very high	57 Å²	57	28.1 Å²	28.1	25%	0.248	16%	0.162	C	C	.	.	H	α-helix	trans	-58.5	-45.5	166.8	-173.9	176.4	-177.2	175.2	0	110.8	E383 T386 S393 Y401	E383-K389 IonicContact OE1-NZ 2.7Å; E383-K389 PolarHBondContact OE1-NZ 2.95Å; E383-K389 IonicContact OE2-NZ 3.53Å; E383-K389 PolarHBondContact OE2-NZ 3.5Å; T386-K389 HydrophobicContact CG2-CB 4.29Å; T386-K389 HydrophobicContact CG2-CD 3.93Å; T386-K389 PolarHBondContact O-N 3.26Å; K389-S393 VanDerWaalsContact O-CB 3.29Å; K389-S393 WeakPolarHBondContact O-CB 3.38Å; K389-S393 PolarHBondContact O-N 3.27Å; K389-S393 PolarHBondContact O-OG 2.57Å; K389-Y401 HydrophobicContact CB-CD1 3.94Å; K389-Y401 HydrophobicContact CB-CD2 4.22Å; K389-Y401 HydrophobicContact CB-CE1 3.65Å; K389-Y401 HydrophobicContact CB-CE2 3.95Å; K389-Y401 HydrophobicContact CB-CG 4.21Å; K389-Y401 HydrophobicContact CD-CD1 4.22Å; K389-Y401 HydrophobicContact CD-CE1 3.91Å; K389-Y401 HydrophobicContact CG-CD1 3.73Å; K389-Y401 HydrophobicContact CG-CE1 3.74Å; K389-Y401 HydrophobicContact CG-CG 4.26Å
390	T	97.5	Very high	94.9	Very high	16 Å²	16	30 Å²	30	10%	0.098	17%	0.171	C	C	.	.	H	α-helix	trans	-62.9	-48.2	176.4	-56.9	0	0	0	0	111.1	W248 P259 I263 T386 Y388 A392 S393 L394	W248-T390 HydrophobicContact CB-CG2 4.12Å; W248-T390 HydrophobicContact CG-CG2 4.17Å; P259-T390 HydrophobicContact CB-CG2 4.17Å; P259-T390 WeakPolarHBondContact CG-OG1 3.22Å; I263-T390 HydrophobicContact CD1-CG2 3.52Å; T386-T390 WeakPolarHBondContact O-CB 3.3Å; T386-T390 PolarHBondContact O-N 3.02Å; T386-T390 PolarHBondContact O-OG1 3.1Å; Y388-T390 VanDerWaalsContact C-N 3.32Å; T390-A392 PolarHBondContact O-N 2.7Å; T390-S393 CarbonylContact O-C 3.57Å; T390-S393 PolarHBondContact O-N 3.4Å; T390-S393 VanDerWaalsContact O-N 3.15Å; T390-L394 WeakPolarHBondContact O-CG 3.39Å; T390-L394 PolarHBondContact O-N 2.98Å; T390-L394 VanDerWaalsContact O-N 3.14Å
391	L	97.9	Very high	94.9	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-54.8	-52.5	175.7	171.2	58.9	0	0	0	111.9	W248 I270 S363 L364 P387 Y388 S393 L394 M397	W248-L391 HydrophobicContact CH2-CD1 4.27Å; W248-L391 HydrophobicContact CZ2-CB 4.03Å; W248-L391 HydrophobicContact CZ2-CD1 4.13Å; W248-L391 HydrophobicContact CZ2-CD2 4.16Å; W248-L391 HydrophobicContact CZ2-CG 4.33Å; I270-L391 HydrophobicContact CG1-CD1 4.49Å; I270-L391 HydrophobicContact CG2-CD1 4.18Å; S363-L391 WeakPolarHBondContact OG-CD2 3.27Å; L364-L391 HydrophobicContact CD2-CD1 3.53Å; L364-L391 HydrophobicContact CD2-CD2 3.58Å; L364-L391 HydrophobicContact CD2-CG 4.2Å; L364-L391 HydrophobicContact CG-CD2 4.01Å; P387-L391 WeakPolarHBondContact O-CB 3.36Å; P387-L391 PolarHBondContact O-N 3.47Å; Y388-L391 PolarHBondContact O-N 2.91Å; L391-S393 PolarHBondContact O-N 3.4Å; L391-L394 HydrophobicContact CD1-CD1 4.04Å; L391-L394 WeakPolarHBondContact O-CB 3.38Å; L391-L394 WeakPolarHBondContact O-CG 3.38Å; L391-L394 PolarHBondContact O-N 3.17Å; L391-L394 VanDerWaalsContact O-N 3.11Å; L391-M397 HydrophobicContact CD1-CE 4.36Å; L391-M397 HydrophobicContact CD1-CG 4.43Å; L391-M397 HydrophobicContact CD1-SD 4.26Å; L391-M397 WeakPolarHBondContact O-CG 3.28Å
392	A	97.2	Very high	94.9	Very high	5 Å²	5	31 Å²	31	4%	0.041	17%	0.174	C	C	.	.	H	α-helix	trans	-61	-30.1	-179.4	0	0	0	0	0	112.6	Y388 T390 L399 Y401	Y388-A392 VanDerWaalsContact O-CB 3.32Å; Y388-A392 WeakPolarHBondContact O-CB 3.36Å; Y388-A392 PolarHBondContact O-N 3.49Å; T390-A392 PolarHBondContact O-N 2.7Å; A392-L399 HydrophobicContact CB-CB 3.87Å; A392-Y401 HydrophobicContact CB-CD2 4.45Å
393	S	94.9	Very high	95	Very high	85 Å²	85	31.6 Å²	31.6	59%	0.594	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-5.1	-179.9	-54.8	0	0	0	0	114.1	K389 T390 L391	K389-S393 VanDerWaalsContact O-CB 3.29Å; K389-S393 WeakPolarHBondContact O-CB 3.38Å; K389-S393 PolarHBondContact O-N 3.27Å; K389-S393 PolarHBondContact O-OG 2.57Å; T390-S393 CarbonylContact O-C 3.57Å; T390-S393 PolarHBondContact O-N 3.4Å; T390-S393 VanDerWaalsContact O-N 3.15Å; L391-S393 PolarHBondContact O-N 3.4Å
394	L	93.3	Very high	95.2	Very high	10 Å²	10	26.6 Å²	26.6	5%	0.052	16%	0.157	C	C	.	.	S	Bend	trans	-61.4	136.2	177.7	-66.6	-179.9	0	0	0	110.5	W248 I263 V265 I270 T390 L391 G396 M397	W248-L394 HydrophobicContact CB-CD2 4.43Å; I263-L394 HydrophobicContact CG2-CD2 3.67Å; V265-L394 HydrophobicContact CG1-CD1 4.01Å; V265-L394 HydrophobicContact CG1-CD2 4.38Å; I270-L394 HydrophobicContact CG1-CD1 4.12Å; T390-L394 WeakPolarHBondContact O-CG 3.39Å; T390-L394 PolarHBondContact O-N 2.98Å; T390-L394 VanDerWaalsContact O-N 3.14Å; L391-L394 HydrophobicContact CD1-CD1 4.04Å; L391-L394 WeakPolarHBondContact O-CB 3.38Å; L391-L394 WeakPolarHBondContact O-CG 3.38Å; L391-L394 PolarHBondContact O-N 3.17Å; L391-L394 VanDerWaalsContact O-N 3.11Å; L394-G396 PolarHBondContact O-N 2.86Å; L394-M397 HydrophobicContact CB-CB 4.15Å; L394-M397 VanDerWaalsContact O-CB 3.26Å; L394-M397 WeakPolarHBondContact O-CB 3.3Å; L394-M397 PolarHBondContact O-N 2.71Å
395	P	89.5	Confident	95.5	Very high	96 Å²	96	27 Å²	27	62%	0.623	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.2	124	178	-26.3	34.5	0	0	0	112.1	S266 G267 M397	S266-P395 WeakPolarHBondContact CB-O 3.48Å; G267-P395 PolarHBondContact N-O 2.86Å; P395-M397 VanDerWaalsContact C-N 3.33Å
396	G	87.4	Confident	95.7	Very high	20 Å²	20	26.9 Å²	26.9	21%	0.206	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.6	-0.9	-178.3	0	0	0	0	0	115.3	R271 L394	R271-G396 PolarHBondContact NE-O 3.27Å; L394-G396 PolarHBondContact O-N 2.86Å
397	M	93.9	Very high	95.7	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-35.7	170.3	-166.4	61.2	-167.5	0	0	110.3	I270 R271 L391 L394 P395 L399	I270-M397 HydrophobicContact CB-SD 4.4Å; I270-M397 HydrophobicContact CG2-CE 4.24Å; I270-M397 HydrophobicContact CG2-SD 3.86Å; R271-M397 HydrophobicContact CG-SD 4.19Å; R271-M397 VanDerWaalsContact CZ-O 3.25Å; R271-M397 PolarHBondContact NE-O 3.45Å; R271-M397 VanDerWaalsContact NE-O 3.1Å; R271-M397 PolarHBondContact NH2-O 3.4Å; L391-M397 HydrophobicContact CD1-CE 4.36Å; L391-M397 HydrophobicContact CD1-CG 4.43Å; L391-M397 HydrophobicContact CD1-SD 4.26Å; L391-M397 WeakPolarHBondContact O-CG 3.28Å; L394-M397 HydrophobicContact CB-CB 4.15Å; L394-M397 VanDerWaalsContact O-CB 3.26Å; L394-M397 WeakPolarHBondContact O-CB 3.3Å; L394-M397 PolarHBondContact O-N 2.71Å; P395-M397 VanDerWaalsContact C-N 3.33Å; M397-L399 VanDerWaalsContact C-N 3.25Å; M397-L399 HydrophobicContact CE-CD1 3.51Å; M397-L399 HydrophobicContact CE-CG 4.13Å; M397-L399 HydrophobicContact CG-CD1 3.96Å; M397-L399 HydrophobicContact CG-CG 3.98Å; M397-L399 PolarHBondContact O-N 2.84Å
398	D	93.6	Very high	95.7	Very high	67 Å²	67	34.7 Å²	34.7	36%	0.358	20%	0.197	S	C	.	.			trans	53.3	39.7	173.2	-48	-40.7	0	0	0	113.4	R368 G369	R368-D398 HydrophobicContact CB-CB 4.13Å; R368-D398 VanDerWaalsContact CD-OD2 3.3Å; R368-D398 WeakPolarHBondContact CD-OD2 3.46Å; R368-D398 HydrophobicContact CG-CB 4.02Å; R368-D398 IonicContact CZ-OD2 2.68Å; R368-D398 IonicContact NE-OD2 3.29Å; R368-D398 PolarHBondContact NE-OD2 3.46Å; R368-D398 IonicContact NH2-OD2 3.21Å; G369-D398 PolarHBondContact N-O 3.14Å
399	L	94.9	Very high	95.6	Very high	17 Å²	17	38.8 Å²	38.8	9%	0.089	22%	0.216	C	C	.	.			trans	-102.9	148.4	171.1	-66	179.3	0	0	0	109.9	L366 P367 A370 V372 A392 M397	L366-L399 HydrophobicContact CB-CD1 4.47Å; L366-L399 HydrophobicContact CB-CD2 3.73Å; L366-L399 HydrophobicContact CD1-CD1 4.47Å; L366-L399 HydrophobicContact CD1-CD2 4.4Å; P367-L399 WeakPolarHBondContact O-CD2 3.44Å; A370-L399 HydrophobicContact CB-CD2 4.06Å; V372-L399 HydrophobicContact CG2-CD1 4.11Å; A392-L399 HydrophobicContact CB-CB 3.87Å; M397-L399 VanDerWaalsContact C-N 3.25Å; M397-L399 HydrophobicContact CE-CD1 3.51Å; M397-L399 HydrophobicContact CE-CG 4.13Å; M397-L399 HydrophobicContact CG-CD1 3.96Å; M397-L399 HydrophobicContact CG-CG 3.98Å; M397-L399 PolarHBondContact O-N 2.84Å
400	Q	95.3	Very high	95.5	Very high	40 Å²	40	43.4 Å²	43.4	19%	0.187	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	147.1	167.6	-63	-179.8	74.6	0	0	108.6	G369 A370 V371 V372 I475	G369-Q400 PolarHBondContact O-NE2 3.03Å; A370-Q400 PolarHBondContact O-N 3.01Å; V371-Q400 CarbonylContact C-O 3.56Å; V371-Q400 WeakPolarHBondContact CA-O 3.44Å; V371-Q400 HydrophobicContact CB-CB 4.37Å; V371-Q400 HydrophobicContact CG1-CB 4.21Å; V371-Q400 HydrophobicContact CG2-CB 4.07Å; V372-Q400 PolarHBondContact N-O 2.9Å; Q400-I475 HydrophobicContact CB-CG2 4.26Å; Q400-I475 VanDerWaalsContact OE1-CG2 3.26Å
401	Y	96.5	Very high	95.6	Very high	38 Å²	38	44.1 Å²	44.1	15%	0.149	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	132.7	-176.7	177.6	-89.4	0	0	0	110.8	V372 E374 K389 A392 A403	V372-Y401 HydrophobicContact CB-CD2 4.24Å; V372-Y401 HydrophobicContact CG1-CD2 4.28Å; V372-Y401 CarbonylContact O-C 3.58Å; V372-Y401 WeakPolarHBondContact O-CA 3.35Å; E374-Y401 HydrophobicContact CB-CE2 3.87Å; E374-Y401 WeakPolarHBondContact OE2-CE2 3.39Å; E374-Y401 PolarHBondContact OE2-OH 3.11Å; K389-Y401 HydrophobicContact CB-CD1 3.94Å; K389-Y401 HydrophobicContact CB-CD2 4.22Å; K389-Y401 HydrophobicContact CB-CE1 3.65Å; K389-Y401 HydrophobicContact CB-CE2 3.95Å; K389-Y401 HydrophobicContact CB-CG 4.21Å; K389-Y401 HydrophobicContact CD-CD1 4.22Å; K389-Y401 HydrophobicContact CD-CE1 3.91Å; K389-Y401 HydrophobicContact CG-CD1 3.73Å; K389-Y401 HydrophobicContact CG-CE1 3.74Å; K389-Y401 HydrophobicContact CG-CG 4.26Å; A392-Y401 HydrophobicContact CB-CD2 4.45Å; Y401-A403 HydrophobicContact CE1-CB 3.8Å
402	V	97	Very high	95.5	Very high	10 Å²	10	45.2 Å²	45.2	6%	0.061	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	130	173.1	-178.2	0	0	0	0	107.9	V371 V372 V373 E374 A471 L472 I475	V371-V402 HydrophobicContact CG1-CG2 3.96Å; V372-V402 PolarHBondContact O-N 3.06Å; V373-V402 WeakPolarHBondContact CA-O 3.43Å; V373-V402 HydrophobicContact CG1-CB 4.47Å; V373-V402 HydrophobicContact CG2-CB 4.37Å; E374-V402 PolarHBondContact N-O 2.77Å; V402-A471 HydrophobicContact CG1-CB 4.13Å; V402-L472 HydrophobicContact CB-CD2 4.47Å; V402-L472 HydrophobicContact CG1-CD2 4.27Å; V402-L472 HydrophobicContact CG2-CD2 4.29Å; V402-I475 HydrophobicContact CG2-CB 4.3Å; V402-I475 HydrophobicContact CG2-CD1 3.24Å; V402-I475 HydrophobicContact CG2-CG1 3.47Å; V402-I475 VanDerWaalsContact CG2-CG1 3.47Å
403	A	97.4	Very high	95.6	Very high	33 Å²	33	47.6 Å²	47.6	27%	0.273	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	136.5	164.1	0	0	0	0	0	109.4	E374 F376 P382 Y401	E374-A403 CarbonylContact O-C 3.56Å; E374-A403 WeakPolarHBondContact O-CA 3.34Å; F376-A403 HydrophobicContact CD2-CB 4.34Å; F376-A403 HydrophobicContact CE2-CB 3.94Å; P382-A403 HydrophobicContact CB-CB 3.6Å; P382-A403 HydrophobicContact CG-CB 4.23Å; Y401-A403 HydrophobicContact CE1-CB 3.8Å
404	W	98	Very high	95.6	Very high	8 Å²	8	44.8 Å²	44.8	3%	0.03	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	137.2	165.3	176.4	88.8	0	0	0	108.5	E374 L375 F376 N406 T461 V463 D464 S467 L468	E374-W404 PolarHBondContact O-N 2.86Å; L375-W404 CarbonylContact C-O 3.53Å; L375-W404 WeakPolarHBondContact CA-O 3.48Å; L375-W404 HydrophobicContact CB-CE3 4.08Å; L375-W404 HydrophobicContact CD2-CB 3.8Å; L375-W404 HydrophobicContact CD2-CD2 4.31Å; L375-W404 HydrophobicContact CD2-CE3 3.94Å; L375-W404 HydrophobicContact CD2-CG 4.3Å; F376-W404 PolarHBondContact N-O 2.83Å; W404-N406 HydrophobicContact CH2-CB 3.7Å; W404-N406 HydrophobicContact CZ3-CB 3.95Å; W404-T461 HydrophobicContact CH2-CG2 4.24Å; W404-T461 HydrophobicContact CZ3-CG2 4.15Å; W404-V463 HydrophobicContact CH2-CB 4.37Å; W404-V463 HydrophobicContact CH2-CG1 4.18Å; W404-V463 HydrophobicContact CH2-CG2 4.36Å; W404-V463 HydrophobicContact CZ2-CG1 4.31Å; W404-V463 HydrophobicContact CZ3-CG1 4.41Å; W404-V463 HydrophobicContact CZ3-CG2 4.18Å; W404-D464 HydrophobicContact CZ2-CB 4.05Å; W404-S467 PolarHBondContact NE1-OG 2.05Å; W404-S467 VanDerWaalsContact NE1-OG 3.12Å; W404-L468 HydrophobicContact CB-CD1 3.69Å; W404-L468 HydrophobicContact CG-CB 4.32Å; W404-L468 HydrophobicContact CG-CD1 3.8Å
405	R	97.9	Very high	95.7	Very high	38 Å²	38	48 Å²	48	14%	0.143	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	135.6	179	174	-177.6	172.9	176.4	-0.9	108.7	F376 V380 P382 M407 K440 E441	F376-R405 HydrophobicContact CB-CB 4.3Å; F376-R405 HydrophobicContact CB-CG 4.47Å; V380-R405 VanDerWaalsContact O-CD 3.23Å; V380-R405 WeakPolarHBondContact O-CD 3.24Å; V380-R405 PolarHBondContact O-NE 3.48Å; P382-R405 HydrophobicContact CG-CB 4.48Å; R405-M407 HydrophobicContact CB-SD 4.46Å; R405-M407 HydrophobicContact CG-SD 3.92Å; R405-M407 PolarHBondContact O-N 2.96Å; R405-K440 PolarHBondContact NH2-O 3.49Å; R405-K440 VanDerWaalsContact NH2-O 3.17Å; R405-E441 IonicContact CZ-OE2 2.69Å; R405-E441 IonicContact NH1-OE2 3.43Å; R405-E441 PolarHBondContact NH1-OE2 2.75Å; R405-E441 IonicContact NH2-OE2 2.64Å; R405-E441 PolarHBondContact NH2-OE2 3.13Å; R405-E441 VanDerWaalsContact NH2-OE2 3.13Å
406	N	97.9	Very high	96.1	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.241	C	C	.	.			trans	-67.3	116.8	167.8	-175.8	21.8	0	0	0	110	F376 Y378 W404 V408 S412 T461	F376-N406 PolarHBondContact O-N 2.83Å; Y378-N406 WeakPolarHBondContact CA-O 3.4Å; W404-N406 HydrophobicContact CH2-CB 3.7Å; W404-N406 HydrophobicContact CZ3-CB 3.95Å; N406-V408 PolarHBondContact ND2-O 3.4Å; N406-V408 PolarHBondContact OD1-N 3.45Å; N406-V408 PolarHBondContact OD1-O 2.83Å; N406-S412 PolarHBondContact ND2-OG 2.77Å; N406-T461 HydrophobicContact CB-CG2 3.89Å
407	M	96.3	Very high	96.5	Very high	131 Å²	131	52 Å²	52	65%	0.645	27%	0.266	S	S	*	.			trans	-100.3	-5.4	177.4	-62.9	-59.7	-64.9	0	0	112.8	R405	R405-M407 HydrophobicContact CB-SD 4.46Å; R405-M407 HydrophobicContact CG-SD 3.92Å; R405-M407 PolarHBondContact O-N 2.96Å
408	V	96.7	Very high	96.5	Very high	53 Å²	53	55.2 Å²	55.2	32%	0.321	28%	0.278	S	S	.	.			trans	-105.8	115.6	-175.9	-177.7	0	0	0	0	108.5	N406 E410 N411	N406-V408 PolarHBondContact ND2-O 3.4Å; N406-V408 PolarHBondContact OD1-N 3.45Å; N406-V408 PolarHBondContact OD1-O 2.83Å; V408-E410 VanDerWaalsContact C-N 3.31Å; V408-E410 HydrophobicContact CG1-CB 4.23Å; V408-E410 WeakPolarHBondContact CG1-OE2 3.11Å; V408-E410 PolarHBondContact O-N 3.21Å; V408-N411 HydrophobicContact CB-CB 4.13Å; V408-N411 HydrophobicContact CG1-CB 4.25Å; V408-N411 WeakPolarHBondContact O-CB 3.22Å; V408-N411 PolarHBondContact O-N 3.03Å
409	E	96.2	Very high	96.6	Very high	91 Å²	91	54.9 Å²	54.9	43%	0.425	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-65.3	-39.3	-175.3	-174.2	171.2	-174.4	0	0	111.3	Y378 N411 S412	Y378-E409 HydrophobicContact CD2-CB 4.27Å; Y378-E409 HydrophobicContact CE1-CB 4.28Å; Y378-E409 HydrophobicContact CE1-CG 4.16Å; Y378-E409 HydrophobicContact CE2-CB 3.78Å; E409-N411 PolarHBondContact O-N 3.48Å; E409-N411 VanDerWaalsContact O-N 3.09Å; E409-S412 VanDerWaalsContact O-CB 3.26Å; E409-S412 WeakPolarHBondContact O-CB 3.3Å; E409-S412 PolarHBondContact O-N 3.47Å; E409-S412 PolarHBondContact O-OG 3.36Å
410	E	97.3	Very high	96.6	Very high	154 Å²	154	58.9 Å²	58.9	72%	0.72	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-61.3	-21.1	179.4	-59.9	77.3	-170.4	0	0	113	V408 S412	V408-E410 VanDerWaalsContact C-N 3.31Å; V408-E410 HydrophobicContact CG1-CB 4.23Å; V408-E410 WeakPolarHBondContact CG1-OE2 3.11Å; V408-E410 PolarHBondContact O-N 3.21Å; E410-S412 PolarHBondContact O-N 3.44Å
411	N	98	Very high	96.4	Very high	31 Å²	31	61.1 Å²	61.1	17%	0.166	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-84.1	10.1	175	-76.9	-3.8	0	0	0	112.9	V408 E409 T461 I462	V408-N411 HydrophobicContact CB-CB 4.13Å; V408-N411 HydrophobicContact CG1-CB 4.25Å; V408-N411 WeakPolarHBondContact O-CB 3.22Å; V408-N411 PolarHBondContact O-N 3.03Å; E409-N411 PolarHBondContact O-N 3.48Å; E409-N411 VanDerWaalsContact O-N 3.09Å; N411-T461 CarbonylContact O-C 3.57Å; N411-T461 WeakPolarHBondContact O-CA 3.44Å; N411-I462 HydrophobicContact CB-CB 4.01Å; N411-I462 WeakPolarHBondContact CB-O 3.4Å; N411-I462 PolarHBondContact O-N 3.4Å
412	S	97.4	Very high	96.2	Very high	23 Å²	23	63 Å²	63	16%	0.161	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	135.2	-177.4	-45.3	0	0	0	0	111.4	Y378 N406 E409 E410 D460	Y378-S412 WeakPolarHBondContact CB-OG 3.27Å; N406-S412 PolarHBondContact ND2-OG 2.77Å; E409-S412 VanDerWaalsContact O-CB 3.26Å; E409-S412 WeakPolarHBondContact O-CB 3.3Å; E409-S412 PolarHBondContact O-N 3.47Å; E409-S412 PolarHBondContact O-OG 3.36Å; E410-S412 PolarHBondContact O-N 3.44Å; S412-D460 WeakPolarHBondContact CA-O 3.25Å
413	V	97.6	Very high	96	Very high	54 Å²	54	62.7 Å²	62.7	33%	0.327	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	116.3	174.4	-178.9	0	0	0	0	109.1	L312 Y415 Q459 D460	L312-V413 HydrophobicContact CD1-CB 4.23Å; L312-V413 HydrophobicContact CD1-CG2 3.58Å; V413-Y415 HydrophobicContact CG1-CE1 4.23Å; V413-Y415 HydrophobicContact CG1-CE2 4.37Å; V413-Q459 WeakPolarHBondContact O-CA 3.4Å; V413-D460 HydrophobicContact CB-CB 4.3Å; V413-D460 PolarHBondContact N-O 2.8Å; V413-D460 PolarHBondContact O-N 2.85Å
414	A	95.8	Very high	96	Very high	26 Å²	26	61.2 Å²	61.2	22%	0.215	30%	0.301	C	S	.	.			trans	-107.6	160.6	177.6	0	0	0	0	0	111.6	Y455 Q459	A414-Y455 HydrophobicContact CB-CD2 4.49Å; A414-Y455 HydrophobicContact CB-CE1 4.23Å; A414-Y455 HydrophobicContact CB-CE2 3.64Å; A414-Y455 VanDerWaalsContact CB-CZ 3.46Å; A414-Y455 VanDerWaalsContact CB-OH 3.24Å; A414-Y455 WeakPolarHBondContact CB-OH 3.25Å; A414-Q459 HydrophobicContact CB-CG 4.01Å
415	Y	96.2	Very high	96	Very high	78 Å²	78	60.9 Å²	60.9	31%	0.306	30%	0.3	S	S	.	.			trans	-129.3	75.6	-176.4	-56.7	-83.8	0	0	0	111.4	V413 E417 R418 D460	V413-Y415 HydrophobicContact CG1-CE1 4.23Å; V413-Y415 HydrophobicContact CG1-CE2 4.37Å; Y415-E417 PolarHBondContact O-N 3.43Å; Y415-E417 VanDerWaalsContact O-N 3.09Å; Y415-R418 PolarHBondContact O-N 3.05Å; Y415-R418 VanDerWaalsContact O-N 3.12Å; Y415-D460 VanDerWaalsContact CE2-OD2 3.22Å; Y415-D460 WeakPolarHBondContact CE2-OD2 3.42Å; Y415-D460 VanDerWaalsContact CZ-OD2 3.31Å; Y415-D460 PolarHBondContact OH-OD2 2.9Å
416	P	95.9	Very high	96	Very high	43 Å²	43	61.2 Å²	61.2	28%	0.279	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-21.3	-172	24.9	-34.7	0	0	0	114.3	G424 I425 A426	P416-G424 CarbonylContact O-C 3.47Å; P416-G424 VanDerWaalsContact O-CA 3.22Å; P416-G424 WeakPolarHBondContact O-CA 3.41Å; P416-I425 HydrophobicContact CB-CD1 4.31Å; P416-I425 HydrophobicContact CB-CG1 3.7Å; P416-I425 PolarHBondContact O-N 3.04Å; P416-A426 WeakPolarHBondContact O-CB 3.4Å; P416-A426 PolarHBondContact O-N 2.92Å
417	E	96.2	Very high	95.9	Very high	158 Å²	158	66.5 Å²	66.5	74%	0.738	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-6.4	-179.7	-56.9	-56	144.5	0	0	114.3	Y415	Y415-E417 PolarHBondContact O-N 3.43Å; Y415-E417 VanDerWaalsContact O-N 3.09Å
418	R	95.2	Very high	95.9	Very high	67 Å²	67	62.2 Å²	62.2	25%	0.253	32%	0.315	S	S	.	.	S	Bend	trans	-67	167.1	176.9	-77.3	-174.9	-171.1	-171.2	3.1	111	I307 Y415 Q422 G424	I307-R418 PolarHBondContact O-NH1 3.24Å; Y415-R418 PolarHBondContact O-N 3.05Å; Y415-R418 VanDerWaalsContact O-N 3.12Å; R418-Q422 HydrophobicContact CB-CB 4.1Å; R418-G424 VanDerWaalsContact O-CA 3.28Å; R418-G424 WeakPolarHBondContact O-CA 3.44Å
419	P	95.9	Very high	96	Very high	60 Å²	60	64.7 Å²	64.7	39%	0.39	33%	0.326	S	S	.	.			trans	-55.7	153	165.3	-25.2	35.8	0	0	0	111.9	E421 Q422 G423 G424	P419-E421 HydrophobicContact CB-CG 4.25Å; P419-E421 WeakPolarHBondContact CB-OE1 3.32Å; P419-E421 WeakPolarHBondContact CB-OE2 3.23Å; P419-E421 PolarHBondContact O-N 3.41Å; P419-Q422 CarbonylContact O-C 3.56Å; P419-Q422 WeakPolarHBondContact O-CA 3.1Å; P419-Q422 PolarHBondContact O-N 2.79Å; P419-G423 PolarHBondContact O-N 2.7Å; P419-G424 PolarHBondContact O-N 3.4Å; P419-G424 VanDerWaalsContact O-N 3.14Å
420	W	94.1	Very high	96	Very high	101 Å²	101	68.3 Å²	68.3	38%	0.383	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-61.1	-35.7	-174.6	71.2	-87.7	0	0	0	112.1	Q422 G423 G424 H427 R449 L454	W420-Q422 PolarHBondContact O-N 3.03Å; W420-Q422 VanDerWaalsContact O-N 3.14Å; W420-G423 PolarHBondContact O-N 2.96Å; W420-G424 WeakPolarHBondContact CA-O 3.35Å; W420-H427 WeakPolarHBondContact CB-CE1 3.49Å; W420-R449 HydrophobicContact CH2-CB 4.5Å; W420-R449 HydrophobicContact CH2-CG 3.81Å; W420-R449 HydrophobicContact CZ3-CB 3.97Å; W420-R449 HydrophobicContact CZ3-CG 3.73Å; W420-L454 HydrophobicContact CE3-CD1 3.77Å; W420-L454 HydrophobicContact CZ3-CD1 3.92Å
421	E	90.7	Very high	96	Very high	87 Å²	87	68.8 Å²	68.8	41%	0.407	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-65	-14.4	176.3	64.9	-85.3	-165.6	0	0	113.6	P419 Y458	P419-E421 HydrophobicContact CB-CG 4.25Å; P419-E421 WeakPolarHBondContact CB-OE1 3.32Å; P419-E421 WeakPolarHBondContact CB-OE2 3.23Å; P419-E421 PolarHBondContact O-N 3.41Å; E421-Y458 WeakPolarHBondContact O-CE2 3.27Å
422	Q	91.9	Very high	96	Very high	76 Å²	76	70.7 Å²	70.7	36%	0.355	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-111.4	17.2	175.1	-63.1	-179.3	37.3	0	0	112.5	R418 P419 W420 Y458	R418-Q422 HydrophobicContact CB-CB 4.1Å; P419-Q422 CarbonylContact O-C 3.56Å; P419-Q422 WeakPolarHBondContact O-CA 3.1Å; P419-Q422 PolarHBondContact O-N 2.79Å; W420-Q422 PolarHBondContact O-N 3.03Å; W420-Q422 VanDerWaalsContact O-N 3.14Å; Q422-Y458 VanDerWaalsContact C-CD2 3.48Å
423	G	94.1	Very high	96	Very high	4 Å²	4	71.6 Å²	71.6	4%	0.041	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.1	10.4	174.4	0	0	0	0	0	115.5	P419 W420 L454 Y455	P419-G423 PolarHBondContact O-N 2.7Å; W420-G423 PolarHBondContact O-N 2.96Å; G423-L454 WeakPolarHBondContact CA-O 3.37Å; G423-Y455 WeakPolarHBondContact O-CA 3.44Å; G423-Y455 WeakPolarHBondContact O-CD2 3.14Å
424	G	96.7	Very high	96	Very high	2 Å²	2	73.8 Å²	73.8	2%	0.021	36%	0.362	C	S	.	.			trans	-75.8	144.9	173.7	0	0	0	0	0	113	P416 R418 P419 W420 H427	P416-G424 CarbonylContact O-C 3.47Å; P416-G424 VanDerWaalsContact O-CA 3.22Å; P416-G424 WeakPolarHBondContact O-CA 3.41Å; R418-G424 VanDerWaalsContact O-CA 3.28Å; R418-G424 WeakPolarHBondContact O-CA 3.44Å; P419-G424 PolarHBondContact O-N 3.4Å; P419-G424 VanDerWaalsContact O-N 3.14Å; W420-G424 WeakPolarHBondContact CA-O 3.35Å; G424-H427 PolarHBondContact O-CE1 3.47Å; G424-H427 PolarHBondContact O-ND1 2.9Å
425	I	98	Very high	96	Very high	1 Å²	1	77 Å²	77	1%	0.005	37%	0.373	C	S	.	.			trans	-121.9	-0.9	-173.7	58.9	170.6	0	0	0	113	P416 H427 L428 Q433 I436 L437 Y455	P416-I425 HydrophobicContact CB-CD1 4.31Å; P416-I425 HydrophobicContact CB-CG1 3.7Å; P416-I425 PolarHBondContact O-N 3.04Å; I425-H427 PolarHBondContact O-N 3.46Å; I425-L428 HydrophobicContact CB-CD1 4Å; I425-L428 HydrophobicContact CG2-CD1 4.03Å; I425-L428 WeakPolarHBondContact O-CB 3.37Å; I425-L428 PolarHBondContact O-N 2.8Å; I425-Q433 HydrophobicContact CB-CG 4.28Å; I425-Q433 HydrophobicContact CD1-CB 4.26Å; I425-Q433 HydrophobicContact CD1-CG 4.14Å; I425-Q433 HydrophobicContact CG1-CG 4.23Å; I425-Q433 WeakPolarHBondContact O-CG 3.31Å; I425-Q433 PolarHBondContact O-NE2 3.31Å; I425-I436 HydrophobicContact CD1-CG2 4.37Å; I425-I436 HydrophobicContact CG2-CD1 3.97Å; I425-I436 HydrophobicContact CG2-CG2 4.42Å; I425-L437 HydrophobicContact CD1-CD2 4.25Å; I425-L437 HydrophobicContact CD1-CG 4.2Å; I425-Y455 HydrophobicContact CD1-CD2 3.91Å; I425-Y455 HydrophobicContact CD1-CE2 3.82Å; I425-Y455 HydrophobicContact CG1-CD2 4.1Å; I425-Y455 HydrophobicContact CG1-CE2 4.24Å; I425-Y455 HydrophobicContact CG2-CD2 3.79Å; I425-Y455 HydrophobicContact CG2-CG 4.17Å
426	A	97.2	Very high	96	Very high	46 Å²	46	73.3 Å²	73.3	38%	0.38	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-21	-179	0	0	0	0	0	114.3	P416 L428	P416-A426 WeakPolarHBondContact O-CB 3.4Å; P416-A426 PolarHBondContact O-N 2.92Å; A426-L428 VanDerWaalsContact C-N 3.34Å
427	H	95.9	Very high	96	Very high	111 Å²	111	74.4 Å²	74.4	51%	0.514	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-13.5	177.2	68.6	-76.4	0	0	0	113.9	W420 G424 I425	W420-H427 WeakPolarHBondContact CB-CE1 3.49Å; G424-H427 PolarHBondContact O-CE1 3.47Å; G424-H427 PolarHBondContact O-ND1 2.9Å; I425-H427 PolarHBondContact O-N 3.46Å
428	L	97.3	Very high	96	Very high	41 Å²	41	72 Å²	72	22%	0.215	36%	0.358	C	S	.	.	S	Bend	trans	-85.9	164.3	179.3	-56.5	173.6	0	0	0	110.6	I425 A426 E432 Q433 I436 P451	I425-L428 HydrophobicContact CB-CD1 4Å; I425-L428 HydrophobicContact CG2-CD1 4.03Å; I425-L428 WeakPolarHBondContact O-CB 3.37Å; I425-L428 PolarHBondContact O-N 2.8Å; A426-L428 VanDerWaalsContact C-N 3.34Å; L428-E432 HydrophobicContact CB-CB 4.33Å; L428-E432 HydrophobicContact CB-CG 4.35Å; L428-E432 HydrophobicContact CD1-CG 3.92Å; L428-Q433 HydrophobicContact CB-CG 4.14Å; L428-Q433 PolarHBondContact O-NE2 2.87Å; L428-I436 HydrophobicContact CD1-CD1 3.61Å; L428-P451 HydrophobicContact CD1-CB 3.62Å; L428-P451 HydrophobicContact CD1-CG 4.05Å
429	D	97.5	Very high	96	Very high	104 Å²	104	69.8 Å²	69.8	56%	0.556	35%	0.353	S	S	*	.			trans	-68.4	165.1	170	65.5	51.4	0	0	0	111.7	E431 E432 Q433	D429-E431 VanDerWaalsContact C-N 3.29Å; D429-E431 PolarHBondContact O-N 2.81Å; D429-E431 PolarHBondContact OD1-N 2.92Å; D429-E431 VanDerWaalsContact OD1-N 3.11Å; D429-E432 WeakPolarHBondContact OD1-CB 3.35Å; D429-E432 PolarHBondContact OD1-N 3.36Å; D429-Q433 VanDerWaalsContact O-CG 3.27Å; D429-Q433 WeakPolarHBondContact O-CG 3.27Å; D429-Q433 PolarHBondContact O-N 2.72Å
430	K	97.5	Very high	95.9	Very high	168 Å²	168	74.2 Å²	74.2	73%	0.73	37%	0.366	S	S	*	.	H	α-helix	trans	-66.3	-31.6	-176.1	-75.7	172.2	178.1	172.6	0	113	Q433 D434	K430-Q433 PolarHBondContact O-N 3.13Å; K430-D434 WeakPolarHBondContact O-CB 3.45Å; K430-D434 PolarHBondContact O-N 2.92Å
431	E	97.6	Very high	96	Very high	163 Å²	163	73 Å²	73	76%	0.762	37%	0.365	S	S	*	.	H	α-helix	trans	-68.6	-45	-178.5	-175.1	175.3	180	0	0	110.5	D429 D434 H435	D429-E431 VanDerWaalsContact C-N 3.29Å; D429-E431 PolarHBondContact O-N 2.81Å; D429-E431 PolarHBondContact OD1-N 2.92Å; D429-E431 VanDerWaalsContact OD1-N 3.11Å; E431-D434 PolarHBondContact O-N 3.42Å; E431-H435 WeakPolarHBondContact O-CB 3.46Å; E431-H435 PolarHBondContact O-N 2.97Å
432	E	96.4	Very high	96.2	Very high	71 Å²	71	68.9 Å²	68.9	33%	0.332	35%	0.345	S	S	.	.	H	α-helix	trans	-66.7	-39.5	175.3	-173.1	64.1	-164.7	0	0	111.5	L428 D429 H435 I436	L428-E432 HydrophobicContact CB-CB 4.33Å; L428-E432 HydrophobicContact CB-CG 4.35Å; L428-E432 HydrophobicContact CD1-CG 3.92Å; D429-E432 WeakPolarHBondContact OD1-CB 3.35Å; D429-E432 PolarHBondContact OD1-N 3.36Å; E432-H435 PolarHBondContact O-N 3.39Å; E432-I436 HydrophobicContact CG-CD1 4.11Å; E432-I436 VanDerWaalsContact O-CG1 3.27Å; E432-I436 WeakPolarHBondContact O-CG1 3.49Å; E432-I436 PolarHBondContact O-N 3.17Å
433	Q	97.7	Very high	96.2	Very high	43 Å²	43	68.3 Å²	68.3	20%	0.201	35%	0.348	C	S	.	.	H	α-helix	trans	-59.2	-49.2	172.8	-72.6	-179.6	50.2	0	0	111.4	I425 L428 D429 K430 H435 I436 L437	I425-Q433 HydrophobicContact CB-CG 4.28Å; I425-Q433 HydrophobicContact CD1-CB 4.26Å; I425-Q433 HydrophobicContact CD1-CG 4.14Å; I425-Q433 HydrophobicContact CG1-CG 4.23Å; I425-Q433 WeakPolarHBondContact O-CG 3.31Å; I425-Q433 PolarHBondContact O-NE2 3.31Å; L428-Q433 HydrophobicContact CB-CG 4.14Å; L428-Q433 PolarHBondContact O-NE2 2.87Å; D429-Q433 VanDerWaalsContact O-CG 3.27Å; D429-Q433 WeakPolarHBondContact O-CG 3.27Å; D429-Q433 PolarHBondContact O-N 2.72Å; K430-Q433 PolarHBondContact O-N 3.13Å; Q433-H435 VanDerWaalsContact C-N 3.32Å; Q433-H435 PolarHBondContact O-N 2.91Å; Q433-I436 PolarHBondContact O-N 3.36Å; Q433-L437 WeakPolarHBondContact O-CB 3.43Å; Q433-L437 WeakPolarHBondContact O-CG 3.15Å; Q433-L437 PolarHBondContact O-N 3.04Å
434	D	97.3	Very high	96.1	Very high	99 Å²	99	76.9 Å²	76.9	53%	0.529	38%	0.379	S	S	.	.	H	α-helix	trans	-63	-38.9	179.3	-71.8	-21.1	0	0	0	111.5	K430 E431 L437 T438	K430-D434 WeakPolarHBondContact O-CB 3.45Å; K430-D434 PolarHBondContact O-N 2.92Å; E431-D434 PolarHBondContact O-N 3.42Å; D434-L437 PolarHBondContact O-N 2.78Å; D434-T438 WeakPolarHBondContact O-CB 3.48Å; D434-T438 VanDerWaalsContact O-CG2 3.28Å; D434-T438 WeakPolarHBondContact O-CG2 3.34Å; D434-T438 PolarHBondContact O-N 2.93Å; D434-T438 PolarHBondContact O-OG1 3.46Å
435	H	96.7	Very high	95.8	Very high	95 Å²	95	77.6 Å²	77.6	44%	0.44	38%	0.382	S	S	.	.	H	α-helix	trans	-59.8	-50.9	172.7	172.6	-96.7	0	0	0	111.7	E431 E432 Q433 L437 T438 S439 E452	E431-H435 WeakPolarHBondContact O-CB 3.46Å; E431-H435 PolarHBondContact O-N 2.97Å; E432-H435 PolarHBondContact O-N 3.39Å; Q433-H435 VanDerWaalsContact C-N 3.32Å; Q433-H435 PolarHBondContact O-N 2.91Å; H435-L437 VanDerWaalsContact C-N 3.33Å; H435-L437 PolarHBondContact O-N 3Å; H435-T438 PolarHBondContact O-N 3.43Å; H435-T438 PolarHBondContact O-OG1 3.2Å; H435-S439 PolarHBondContact O-N 3.29Å; H435-E452 IonicContact CE1-OE2 2.74Å
436	I	96.7	Very high	95.4	Very high	0 Å²	0	81.8 Å²	81.8	0%	0	40%	0.404	C	S	.	.	H	α-helix	trans	-60.8	-44.2	179.9	-70.4	168.9	0	0	0	110.8	I425 L428 E432 Q433 T438 S439 P451 E452 Y455 R456	I425-I436 HydrophobicContact CD1-CG2 4.37Å; I425-I436 HydrophobicContact CG2-CD1 3.97Å; I425-I436 HydrophobicContact CG2-CG2 4.42Å; L428-I436 HydrophobicContact CD1-CD1 3.61Å; E432-I436 HydrophobicContact CG-CD1 4.11Å; E432-I436 VanDerWaalsContact O-CG1 3.27Å; E432-I436 WeakPolarHBondContact O-CG1 3.49Å; E432-I436 PolarHBondContact O-N 3.17Å; Q433-I436 PolarHBondContact O-N 3.36Å; I436-T438 VanDerWaalsContact C-N 3.35Å; I436-T438 PolarHBondContact O-N 2.81Å; I436-S439 PolarHBondContact O-N 2.91Å; I436-P451 HydrophobicContact CD1-CB 3.9Å; I436-P451 HydrophobicContact CD1-CG 4.07Å; I436-E452 HydrophobicContact CG1-CB 3.98Å; I436-E452 HydrophobicContact CG1-CG 4.23Å; I436-E452 HydrophobicContact CG2-CG 4.32Å; I436-Y455 HydrophobicContact CG2-CD1 3.45Å; I436-Y455 VanDerWaalsContact CG2-CD1 3.45Å; I436-Y455 HydrophobicContact CG2-CD2 4.35Å; I436-Y455 HydrophobicContact CG2-CE1 4.11Å; I436-Y455 HydrophobicContact CG2-CG 3.6Å; I436-R456 PolarHBondContact O-NH2 2.74Å
437	L	95.9	Very high	94.8	Very high	66 Å²	66	81.6 Å²	81.6	35%	0.346	40%	0.399	S	S	.	.	H	α-helix	trans	-64	-38.6	-179.3	-71.1	170.6	0	0	0	112.1	I425 Q433 D434 H435 Y455 R456	I425-L437 HydrophobicContact CD1-CD2 4.25Å; I425-L437 HydrophobicContact CD1-CG 4.2Å; Q433-L437 WeakPolarHBondContact O-CB 3.43Å; Q433-L437 WeakPolarHBondContact O-CG 3.15Å; Q433-L437 PolarHBondContact O-N 3.04Å; D434-L437 PolarHBondContact O-N 2.78Å; H435-L437 VanDerWaalsContact C-N 3.33Å; H435-L437 PolarHBondContact O-N 3Å; L437-Y455 HydrophobicContact CD2-CE1 4.34Å; L437-Y455 HydrophobicContact CD2-CE2 4.33Å; L437-Y455 WeakPolarHBondContact CD2-OH 3.29Å; L437-R456 PolarHBondContact O-NH2 2.98Å
438	T	95.3	Very high	94.2	Very high	107 Å²	107	79.5 Å²	79.5	66%	0.656	40%	0.396	S	S	*	.	H	α-helix	trans	-85	-14.9	-177.6	56.3	0	0	0	0	114.4	D434 H435 I436	D434-T438 WeakPolarHBondContact O-CB 3.48Å; D434-T438 VanDerWaalsContact O-CG2 3.28Å; D434-T438 WeakPolarHBondContact O-CG2 3.34Å; D434-T438 PolarHBondContact O-N 2.93Å; D434-T438 PolarHBondContact O-OG1 3.46Å; H435-T438 PolarHBondContact O-N 3.43Å; H435-T438 PolarHBondContact O-OG1 3.2Å; I436-T438 VanDerWaalsContact C-N 3.35Å; I436-T438 PolarHBondContact O-N 2.81Å
439	S	94.8	Very high	93.8	Very high	21 Å²	21	86.7 Å²	86.7	15%	0.147	42%	0.42	C	S	.	.			trans	-63.8	139.1	178.1	179.4	0	0	0	0	113.1	H435 I436 E441 E452 R456	H435-S439 PolarHBondContact O-N 3.29Å; I436-S439 PolarHBondContact O-N 2.91Å; S439-E441 PolarHBondContact OG-O 2.75Å; S439-E452 WeakPolarHBondContact CB-OE1 3.39Å; S439-E452 PolarHBondContact OG-OE1 2.91Å; S439-R456 PolarHBondContact O-NH2 3.11Å
440	K	94.9	Very high	93.6	Very high	152 Å²	152	83.6 Å²	83.6	66%	0.661	40%	0.404	S	S	*	.	S	Bend	trans	-104.4	-12.5	-179.5	-62.4	-171.1	176.9	-174	0	113.9	A379 R405	A379-K440 WeakPolarHBondContact CA-O 3.42Å; A379-K440 WeakPolarHBondContact CB-O 3.32Å; R405-K440 PolarHBondContact NH2-O 3.49Å; R405-K440 VanDerWaalsContact NH2-O 3.17Å
441	E	96.1	Very high	93.5	Very high	77 Å²	77	77 Å²	77	36%	0.36	38%	0.378	S	S	.	.	S	Bend	trans	-155.5	129.1	179	-178.4	158.2	130.8	0	0	110.2	A379 N381 Q384 R405 S439 P443	A379-E441 WeakPolarHBondContact O-CA 3.44Å; N381-E441 HydrophobicContact CB-CG 4.21Å; N381-E441 PolarHBondContact ND2-OE1 3.3Å; Q384-E441 PolarHBondContact NE2-OE1 2.78Å; R405-E441 IonicContact CZ-OE2 2.69Å; R405-E441 IonicContact NH1-OE2 3.43Å; R405-E441 PolarHBondContact NH1-OE2 2.75Å; R405-E441 IonicContact NH2-OE2 2.64Å; R405-E441 PolarHBondContact NH2-OE2 3.13Å; R405-E441 VanDerWaalsContact NH2-OE2 3.13Å; S439-E441 PolarHBondContact OG-O 2.75Å; E441-P443 WeakPolarHBondContact O-CD 3.38Å
442	V	94.3	Very high	93.5	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-65.8	123.1	177.5	-177.5	0	0	0	0	109.3	A379 W453 R456	A379-V442 PolarHBondContact O-N 3.47Å; V442-W453 HydrophobicContact CG1-CB 4.03Å; V442-W453 HydrophobicContact CG1-CE3 4.23Å; V442-R456 HydrophobicContact CG2-CB 3.66Å; V442-R456 HydrophobicContact CG2-CG 3.62Å
443	P	92.3	Very high	93.4	Very high	63 Å²	63	67.7 Å²	67.7	41%	0.409	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-68.7	158.9	176.1	28.6	-33.7	0	0	0	111.3	E441 H445 E452	E441-P443 WeakPolarHBondContact O-CD 3.38Å; P443-H445 PolarHBondContact O-N 2.86Å; P443-H445 PolarHBondContact O-ND1 2.86Å; P443-E452 WeakPolarHBondContact CD-OE1 2.77Å; P443-E452 VanDerWaalsContact CD-OE2 3.31Å; P443-E452 WeakPolarHBondContact CD-OE2 3.24Å
444	R	92	Very high	93.3	Very high	185 Å²	185	66.3 Å²	66.3	70%	0.698	33%	0.327	S	S	*	.	P	Polyproline II helix	trans	-58	128.2	169.8	-74.5	-172.5	179.9	-174.6	-0.5	109.4	P256	P256-R444 HydrophobicContact CB-CB 3.94Å; P256-R444 HydrophobicContact CB-CG 4.39Å; P256-R444 HydrophobicContact CG-CB 4.06Å
445	H	90.5	Very high	93.3	Very high	17 Å²	17	62.6 Å²	62.6	8%	0.079	31%	0.306	C	S	.	.			trans	-138.9	162.1	-174.7	58.3	-91	0	0	0	110.8	P256 Q257 Y385 P443 N450 W453	P256-H445 WeakPolarHBondContact CA-O 3.34Å; Q257-H445 PolarHBondContact NE2-NE2 3.22Å; Y385-H445 AromaticContact CE1-CE1 3.71Å; Y385-H445 AromaticContact CZ-CE1 3.75Å; Y385-H445 PolarHBondContact OH-CE1 2.82Å; Y385-H445 PolarHBondContact OH-ND1 2.88Å; P443-H445 PolarHBondContact O-N 2.86Å; P443-H445 PolarHBondContact O-ND1 2.86Å; H445-N450 HydrophobicContact CB-CB 4.09Å; H445-W453 VanDerWaalsContact CE1-CB 3.43Å; H445-W453 WeakPolarHBondContact CE1-CB 3.2Å; H445-W453 AromaticContact CE1-CD2 3.64Å; H445-W453 AromaticContact CE1-CE3 3.82Å; H445-W453 AromaticContact CE1-CG 3.48Å; H445-W453 VanDerWaalsContact CE1-CG 3.48Å; H445-W453 AromaticContact NE2-CD1 3.76Å; H445-W453 AromaticContact NE2-CD2 3.79Å; H445-W453 AromaticContact NE2-CG 3.39Å
446	L	90.1	Very high	93.3	Very high	89 Å²	89	58.2 Å²	58.2	47%	0.466	29%	0.286	S	S	.	.			trans	-81.4	150.5	168.2	-60.6	-178.7	0	0	0	110.2	G252 Q255	G252-L446 CarbonylContact O-C 2.85Å; G252-L446 WeakPolarHBondContact O-CA 3.36Å; Q255-L446 WeakPolarHBondContact O-CD2 3.41Å
447	C	83.8	Confident	93.3	Very high	41 Å²	41	58.5 Å²	58.5	28%	0.277	29%	0.287	S	S	.	.	S	Bend	trans	-60	156.9	172.6	-151.4	0	0	0	0	111.5	Y251 G252 F253	Y251-C447 WeakPolarHBondContact O-CB 3.19Å; Y251-C447 PolarHBondContact O-SG 3.07Å; G252-C447 PolarHBondContact O-N 2.77Å; F253-C447 HydrophobicContact CD1-CB 4.35Å; F253-C447 HydrophobicContact CE1-CB 4.27Å
448	C	83.8	Confident	93.3	Very high	67 Å²	67	58 Å²	58	45%	0.453	28%	0.281	S	S	.	.	S	Bend	cis	-132.4	13.7	-6.9	-48.7	0	0	0	0	110.6
449	R	89.4	Confident	93.4	Very high	192 Å²	192	53 Å²	53	73%	0.725	25%	0.251	S	S	*	.			trans	-123.1	18.3	-167.3	-57	-169.6	175.3	-176	-3.2	112.2	W420 P451	W420-R449 HydrophobicContact CH2-CB 4.5Å; W420-R449 HydrophobicContact CH2-CG 3.81Å; W420-R449 HydrophobicContact CZ3-CB 3.97Å; W420-R449 HydrophobicContact CZ3-CG 3.73Å; R449-P451 VanDerWaalsContact O-CD 3.3Å; R449-P451 WeakPolarHBondContact O-CD 3.22Å
450	N	93.7	Very high	93.6	Very high	40 Å²	40	52.1 Å²	52.1	21%	0.214	24%	0.244	C	C	.	.			trans	-66.6	116.9	176.2	178.3	-87.6	0	0	0	108.7	H445 E452 W453 L454	H445-N450 HydrophobicContact CB-CB 4.09Å; N450-E452 PolarHBondContact O-N 2.61Å; N450-E452 PolarHBondContact OD1-N 2.79Å; N450-W453 HydrophobicContact CB-CB 4.04Å; N450-W453 PolarHBondContact O-N 2.74Å; N450-W453 WeakPolarHBondContact OD1-CB 3.33Å; N450-W453 PolarHBondContact OD1-N 3.44Å; N450-L454 WeakPolarHBondContact O-CG 3.46Å; N450-L454 PolarHBondContact O-N 3.24Å; N450-L454 VanDerWaalsContact O-N 3.11Å
451	P	95.4	Very high	93.8	Very high	30 Å²	30	44.9 Å²	44.9	20%	0.195	21%	0.212	C	C	.	.	H	α-helix	trans	-68.1	-36.5	-172.1	25	-33.1	0	0	0	112.5	L428 I436 R449 L454 Y455	L428-P451 HydrophobicContact CD1-CB 3.62Å; L428-P451 HydrophobicContact CD1-CG 4.05Å; I436-P451 HydrophobicContact CD1-CB 3.9Å; I436-P451 HydrophobicContact CD1-CG 4.07Å; R449-P451 VanDerWaalsContact O-CD 3.3Å; R449-P451 WeakPolarHBondContact O-CD 3.22Å; P451-L454 PolarHBondContact O-N 3.15Å; P451-Y455 VanDerWaalsContact O-CB 3.27Å; P451-Y455 WeakPolarHBondContact O-CB 3.34Å; P451-Y455 PolarHBondContact O-N 2.69Å
452	E	95.9	Very high	93.9	Very high	7 Å²	7	44.1 Å²	44.1	3%	0.033	21%	0.21	C	C	.	.	H	α-helix	trans	-62.3	-46.1	177.1	-167.7	-175.7	160.1	0	0	111.6	H435 I436 S439 P443 N450 Y455 R456	H435-E452 IonicContact CE1-OE2 2.74Å; I436-E452 HydrophobicContact CG1-CB 3.98Å; I436-E452 HydrophobicContact CG1-CG 4.23Å; I436-E452 HydrophobicContact CG2-CG 4.32Å; S439-E452 WeakPolarHBondContact CB-OE1 3.39Å; S439-E452 PolarHBondContact OG-OE1 2.91Å; P443-E452 WeakPolarHBondContact CD-OE1 2.77Å; P443-E452 VanDerWaalsContact CD-OE2 3.31Å; P443-E452 WeakPolarHBondContact CD-OE2 3.24Å; N450-E452 PolarHBondContact O-N 2.61Å; N450-E452 PolarHBondContact OD1-N 2.79Å; E452-Y455 PolarHBondContact O-N 2.64Å; E452-R456 VanDerWaalsContact O-CG 3.32Å; E452-R456 WeakPolarHBondContact O-CG 3.31Å; E452-R456 PolarHBondContact O-N 2.78Å
453	W	95.3	Very high	94.1	Very high	30 Å²	30	44.3 Å²	44.3	11%	0.114	21%	0.211	C	C	.	.	H	α-helix	trans	-56.7	-51.1	173.2	166.9	-112	0	0	0	111.9	V380 Y385 V442 H445 N450 Y455 R456 I457	V380-W453 HydrophobicContact CG1-CH2 4.32Å; V380-W453 HydrophobicContact CG1-CZ3 3.76Å; V380-W453 HydrophobicContact CG2-CZ3 4.21Å; Y385-W453 HydrophobicContact CD1-CE3 4.35Å; Y385-W453 AromaticContact CD1-CH2 3.38Å; Y385-W453 HydrophobicContact CD1-CH2 3.38Å; Y385-W453 HydrophobicContact CD1-CZ2 4.07Å; Y385-W453 AromaticContact CD1-CZ3 3.56Å; Y385-W453 HydrophobicContact CD1-CZ3 3.56Å; Y385-W453 HydrophobicContact CD2-CH2 4.08Å; Y385-W453 AromaticContact CD2-CZ3 3.71Å; Y385-W453 HydrophobicContact CD2-CZ3 3.71Å; Y385-W453 HydrophobicContact CE1-CD2 4.23Å; Y385-W453 AromaticContact CE1-CE3 3.67Å; Y385-W453 HydrophobicContact CE1-CE3 3.67Å; Y385-W453 AromaticContact CE1-CH2 3.57Å; Y385-W453 HydrophobicContact CE1-CH2 3.57Å; Y385-W453 HydrophobicContact CE1-CZ2 4.15Å; Y385-W453 AromaticContact CE1-CZ3 3.31Å; Y385-W453 HydrophobicContact CE1-CZ3 3.31Å; Y385-W453 HydrophobicContact CE2-CE3 4.1Å; Y385-W453 HydrophobicContact CE2-CH2 4.27Å; Y385-W453 AromaticContact CE2-CZ3 3.49Å; Y385-W453 HydrophobicContact CE2-CZ3 3.49Å; Y385-W453 VanDerWaalsContact CE2-CZ3 3.49Å; Y385-W453 AromaticContact CG-CH2 3.68Å; Y385-W453 HydrophobicContact CG-CH2 3.68Å; Y385-W453 AromaticContact CG-CZ3 3.77Å; Y385-W453 HydrophobicContact CG-CZ3 3.77Å; Y385-W453 AromaticContact CZ-CE3 3.55Å; Y385-W453 AromaticContact CZ-CZ3 3.3Å; V442-W453 HydrophobicContact CG1-CB 4.03Å; V442-W453 HydrophobicContact CG1-CE3 4.23Å; H445-W453 VanDerWaalsContact CE1-CB 3.43Å; H445-W453 WeakPolarHBondContact CE1-CB 3.2Å; H445-W453 AromaticContact CE1-CD2 3.64Å; H445-W453 AromaticContact CE1-CE3 3.82Å; H445-W453 AromaticContact CE1-CG 3.48Å; H445-W453 VanDerWaalsContact CE1-CG 3.48Å; H445-W453 AromaticContact NE2-CD1 3.76Å; H445-W453 AromaticContact NE2-CD2 3.79Å; H445-W453 AromaticContact NE2-CG 3.39Å; N450-W453 HydrophobicContact CB-CB 4.04Å; N450-W453 PolarHBondContact O-N 2.74Å; N450-W453 WeakPolarHBondContact OD1-CB 3.33Å; N450-W453 PolarHBondContact OD1-N 3.44Å; W453-Y455 VanDerWaalsContact C-N 3.32Å; W453-Y455 PolarHBondContact O-N 3.43Å; W453-R456 PolarHBondContact O-N 3.23Å; W453-I457 HydrophobicContact CD2-CB 4.17Å; W453-I457 HydrophobicContact CD2-CG2 4.33Å; W453-I457 HydrophobicContact CE3-CB 4.2Å; W453-I457 HydrophobicContact CH2-CB 4.04Å; W453-I457 HydrophobicContact CH2-CD1 3.48Å; W453-I457 VanDerWaalsContact CH2-CD1 3.48Å; W453-I457 HydrophobicContact CH2-CG1 3.63Å; W453-I457 HydrophobicContact CZ2-CB 3.98Å; W453-I457 HydrophobicContact CZ2-CD1 4.04Å; W453-I457 HydrophobicContact CZ2-CG1 3.63Å; W453-I457 HydrophobicContact CZ2-CG2 4.29Å; W453-I457 HydrophobicContact CZ3-CB 4.14Å; W453-I457 HydrophobicContact CZ3-CD1 3.9Å; W453-I457 HydrophobicContact CZ3-CG1 4.17Å; W453-I457 WeakPolarHBondContact O-CB 3.38Å; W453-I457 WeakPolarHBondContact O-CG2 3.2Å; W453-I457 PolarHBondContact O-N 3.49Å
454	L	95.9	Very high	94.4	Very high	14 Å²	14	44.1 Å²	44.1	7%	0.073	21%	0.207	C	C	.	.	H	α-helix	trans	-62.9	-41.6	-178.9	-65.9	170.3	0	0	0	111	W420 G423 N450 P451 R456 Y458	W420-L454 HydrophobicContact CE3-CD1 3.77Å; W420-L454 HydrophobicContact CZ3-CD1 3.92Å; G423-L454 WeakPolarHBondContact CA-O 3.37Å; N450-L454 WeakPolarHBondContact O-CG 3.46Å; N450-L454 PolarHBondContact O-N 3.24Å; N450-L454 VanDerWaalsContact O-N 3.11Å; P451-L454 PolarHBondContact O-N 3.15Å; L454-R456 PolarHBondContact O-N 2.96Å; L454-Y458 HydrophobicContact CB-CD2 4.5Å; L454-Y458 HydrophobicContact CD2-CD2 4.47Å; L454-Y458 HydrophobicContact CD2-CE2 3.82Å; L454-Y458 VanDerWaalsContact O-CD2 3.24Å; L454-Y458 WeakPolarHBondContact O-CD2 3.1Å; L454-Y458 PolarHBondContact O-N 2.87Å
455	Y	97.1	Very high	94.6	Very high	21 Å²	21	36.6 Å²	36.6	8%	0.082	18%	0.18	C	C	.	.	H	α-helix	trans	-60.2	-45.3	176.5	178	-95.9	0	0	0	112.1	A414 G423 I425 I436 L437 P451 E452 W453 Q459	A414-Y455 HydrophobicContact CB-CD2 4.49Å; A414-Y455 HydrophobicContact CB-CE1 4.23Å; A414-Y455 HydrophobicContact CB-CE2 3.64Å; A414-Y455 VanDerWaalsContact CB-CZ 3.46Å; A414-Y455 VanDerWaalsContact CB-OH 3.24Å; A414-Y455 WeakPolarHBondContact CB-OH 3.25Å; G423-Y455 WeakPolarHBondContact O-CA 3.44Å; G423-Y455 WeakPolarHBondContact O-CD2 3.14Å; I425-Y455 HydrophobicContact CD1-CD2 3.91Å; I425-Y455 HydrophobicContact CD1-CE2 3.82Å; I425-Y455 HydrophobicContact CG1-CD2 4.1Å; I425-Y455 HydrophobicContact CG1-CE2 4.24Å; I425-Y455 HydrophobicContact CG2-CD2 3.79Å; I425-Y455 HydrophobicContact CG2-CG 4.17Å; I436-Y455 HydrophobicContact CG2-CD1 3.45Å; I436-Y455 VanDerWaalsContact CG2-CD1 3.45Å; I436-Y455 HydrophobicContact CG2-CD2 4.35Å; I436-Y455 HydrophobicContact CG2-CE1 4.11Å; I436-Y455 HydrophobicContact CG2-CG 3.6Å; L437-Y455 HydrophobicContact CD2-CE1 4.34Å; L437-Y455 HydrophobicContact CD2-CE2 4.33Å; L437-Y455 WeakPolarHBondContact CD2-OH 3.29Å; P451-Y455 VanDerWaalsContact O-CB 3.27Å; P451-Y455 WeakPolarHBondContact O-CB 3.34Å; P451-Y455 PolarHBondContact O-N 2.69Å; E452-Y455 PolarHBondContact O-N 2.64Å; W453-Y455 VanDerWaalsContact C-N 3.32Å; W453-Y455 PolarHBondContact O-N 3.43Å; Y455-Q459 WeakPolarHBondContact O-CG 3.29Å
456	R	96.7	Very high	94.9	Very high	3 Å²	3	40.1 Å²	40.1	1%	0.011	20%	0.204	C	C	.	.	H	α-helix	trans	-78.4	-40.8	-177.9	-63.5	-59.7	-177.5	176	-7.6	113.1	P377 A379 V380 I436 L437 S439 V442 E452 W453 L454 Y458 Q459	P377-R456 WeakPolarHBondContact CB-O 3.49Å; A379-R456 HydrophobicContact CB-CB 4.49Å; A379-R456 HydrophobicContact CB-CG 3.93Å; V380-R456 HydrophobicContact CG2-CB 4.1Å; I436-R456 PolarHBondContact O-NH2 2.74Å; L437-R456 PolarHBondContact O-NH2 2.98Å; S439-R456 PolarHBondContact O-NH2 3.11Å; V442-R456 HydrophobicContact CG2-CB 3.66Å; V442-R456 HydrophobicContact CG2-CG 3.62Å; E452-R456 VanDerWaalsContact O-CG 3.32Å; E452-R456 WeakPolarHBondContact O-CG 3.31Å; E452-R456 PolarHBondContact O-N 2.78Å; W453-R456 PolarHBondContact O-N 3.23Å; L454-R456 PolarHBondContact O-N 2.96Å; R456-Y458 VanDerWaalsContact C-N 3.33Å; R456-Y458 PolarHBondContact O-N 2.93Å; R456-Q459 WeakPolarHBondContact O-CG 3.46Å; R456-Q459 PolarHBondContact O-N 2.87Å
457	I	96.4	Very high	95.3	Very high	6 Å²	6	38.2 Å²	38.2	3%	0.031	20%	0.199	C	C	.	.	H	α-helix	trans	-70.9	-27.9	-175.7	-161.8	57.9	0	0	0	112.8	R309 P377 V380 W453	R309-I457 WeakPolarHBondContact CD-O 3.39Å; R309-I457 WeakPolarHBondContact CG-O 3.45Å; P377-I457 HydrophobicContact CG-CD1 4.37Å; V380-I457 HydrophobicContact CG1-CD1 4.12Å; V380-I457 HydrophobicContact CG2-CD1 3.93Å; W453-I457 HydrophobicContact CD2-CB 4.17Å; W453-I457 HydrophobicContact CD2-CG2 4.33Å; W453-I457 HydrophobicContact CE3-CB 4.2Å; W453-I457 HydrophobicContact CH2-CB 4.04Å; W453-I457 HydrophobicContact CH2-CD1 3.48Å; W453-I457 VanDerWaalsContact CH2-CD1 3.48Å; W453-I457 HydrophobicContact CH2-CG1 3.63Å; W453-I457 HydrophobicContact CZ2-CB 3.98Å; W453-I457 HydrophobicContact CZ2-CD1 4.04Å; W453-I457 HydrophobicContact CZ2-CG1 3.63Å; W453-I457 HydrophobicContact CZ2-CG2 4.29Å; W453-I457 HydrophobicContact CZ3-CB 4.14Å; W453-I457 HydrophobicContact CZ3-CD1 3.9Å; W453-I457 HydrophobicContact CZ3-CG1 4.17Å; W453-I457 WeakPolarHBondContact O-CB 3.38Å; W453-I457 WeakPolarHBondContact O-CG2 3.2Å; W453-I457 PolarHBondContact O-N 3.49Å
458	Y	96.8	Very high	95.9	Very high	55 Å²	55	36.3 Å²	36.3	22%	0.216	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	4.9	-179.5	-73.2	-57.4	0	0	0	114.8	N308 E421 Q422 L454 R456	N308-Y458 HydrophobicContact CB-CD1 3.92Å; E421-Y458 WeakPolarHBondContact O-CE2 3.27Å; Q422-Y458 VanDerWaalsContact C-CD2 3.48Å; L454-Y458 HydrophobicContact CB-CD2 4.5Å; L454-Y458 HydrophobicContact CD2-CD2 4.47Å; L454-Y458 HydrophobicContact CD2-CE2 3.82Å; L454-Y458 VanDerWaalsContact O-CD2 3.24Å; L454-Y458 WeakPolarHBondContact O-CD2 3.1Å; L454-Y458 PolarHBondContact O-N 2.87Å; R456-Y458 VanDerWaalsContact C-N 3.33Å; R456-Y458 PolarHBondContact O-N 2.93Å
459	Q	96.8	Very high	96.4	Very high	4 Å²	4	33.9 Å²	33.9	2%	0.019	17%	0.168	C	C	.	.			trans	-65.6	139.5	177.3	-60.3	-177.8	-34	0	0	111.3	R309 P377 V413 A414 Y455 R456	R309-Q459 WeakPolarHBondContact CA-O 3.48Å; P377-Q459 HydrophobicContact CB-CB 4.32Å; V413-Q459 WeakPolarHBondContact O-CA 3.4Å; A414-Q459 HydrophobicContact CB-CG 4.01Å; Y455-Q459 WeakPolarHBondContact O-CG 3.29Å; R456-Q459 WeakPolarHBondContact O-CG 3.46Å; R456-Q459 PolarHBondContact O-N 2.87Å
460	D	98.1	Very high	96.6	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	151.5	165.8	-59.1	-25.3	0	0	0	109	R309 L310 L312 S412 V413 Y415	R309-D460 WeakPolarHBondContact CA-OD1 3.35Å; R309-D460 PolarHBondContact N-OD1 2.78Å; L310-D460 HydrophobicContact CB-CB 4.07Å; L310-D460 WeakPolarHBondContact CD1-OD1 3.12Å; L310-D460 PolarHBondContact N-OD1 2.85Å; L312-D460 HydrophobicContact CD1-CB 4.06Å; L312-D460 HydrophobicContact CD2-CB 3.98Å; L312-D460 HydrophobicContact CG-CB 3.99Å; S412-D460 WeakPolarHBondContact CA-O 3.25Å; V413-D460 HydrophobicContact CB-CB 4.3Å; V413-D460 PolarHBondContact N-O 2.8Å; V413-D460 PolarHBondContact O-N 2.85Å; Y415-D460 VanDerWaalsContact CE2-OD2 3.22Å; Y415-D460 WeakPolarHBondContact CE2-OD2 3.42Å; Y415-D460 VanDerWaalsContact CZ-OD2 3.31Å; Y415-D460 PolarHBondContact OH-OD2 2.9Å
461	T	98.5	Very high	96.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	130.6	-167.9	-59.3	0	0	0	0	111.2	L310 I311 L312 M355 W404 N406 N411 V463	L310-T461 PolarHBondContact O-N 3.01Å; I311-T461 CarbonylContact C-O 3.5Å; I311-T461 WeakPolarHBondContact CA-O 3.46Å; L312-T461 PolarHBondContact N-O 2.63Å; M355-T461 WeakPolarHBondContact CE-OG1 3.41Å; W404-T461 HydrophobicContact CH2-CG2 4.24Å; W404-T461 HydrophobicContact CZ3-CG2 4.15Å; N406-T461 HydrophobicContact CB-CG2 3.89Å; N411-T461 CarbonylContact O-C 3.57Å; N411-T461 WeakPolarHBondContact O-CA 3.44Å; T461-V463 HydrophobicContact CG2-CG2 4.44Å
462	I	98.6	Very high	96.3	Very high	62 Å²	62	29.9 Å²	29.9	32%	0.318	16%	0.16	S	C	.	.			trans	-83.9	117.3	159.8	-58.4	173.3	0	0	0	106.7	L312 N313 N411 D464	L312-I462 HydrophobicContact CB-CG1 3.86Å; L312-I462 HydrophobicContact CD1-CG1 3.89Å; L312-I462 HydrophobicContact CG-CG1 4.46Å; N313-I462 HydrophobicContact CB-CG2 4.39Å; N411-I462 HydrophobicContact CB-CB 4.01Å; N411-I462 WeakPolarHBondContact CB-O 3.4Å; N411-I462 PolarHBondContact O-N 3.4Å; I462-D464 PolarHBondContact O-N 2.78Å
463	V	98.6	Very high	95.7	Very high	3 Å²	3	34.8 Å²	34.8	2%	0.018	18%	0.178	C	C	.	.			trans	-78.9	125.7	-178.5	172.9	0	0	0	0	109.4	I311 N313 L317 L375 W404 T461 I465 L468	I311-V463 HydrophobicContact CG2-CB 4.5Å; I311-V463 HydrophobicContact CG2-CG2 3.78Å; N313-V463 PolarHBondContact ND2-O 3.13Å; N313-V463 PolarHBondContact OD1-N 2.66Å; L317-V463 HydrophobicContact CD1-CG1 4.33Å; L375-V463 HydrophobicContact CD1-CG2 4.1Å; W404-V463 HydrophobicContact CH2-CB 4.37Å; W404-V463 HydrophobicContact CH2-CG1 4.18Å; W404-V463 HydrophobicContact CH2-CG2 4.36Å; W404-V463 HydrophobicContact CZ2-CG1 4.31Å; W404-V463 HydrophobicContact CZ3-CG1 4.41Å; W404-V463 HydrophobicContact CZ3-CG2 4.18Å; T461-V463 HydrophobicContact CG2-CG2 4.44Å; V463-I465 PolarHBondContact O-N 3.46Å; V463-L468 HydrophobicContact CG1-CB 4.19Å; V463-L468 HydrophobicContact CG1-CD2 3.74Å
464	D	98.3	Very high	94.6	Very high	59 Å²	59	36.6 Å²	36.6	32%	0.316	20%	0.199	S	C	.	.			trans	-72.1	97.1	167.6	-174.4	-88.7	0	0	0	109.1	W404 I462 S467 L468	W404-D464 HydrophobicContact CZ2-CB 4.05Å; I462-D464 PolarHBondContact O-N 2.78Å; D464-S467 PolarHBondContact O-N 3.39Å; D464-S467 WeakPolarHBondContact OD1-CA 3.17Å; D464-S467 WeakPolarHBondContact OD1-CB 3.25Å; D464-S467 PolarHBondContact OD1-N 3.37Å; D464-L468 PolarHBondContact O-N 2.99Å
465	I	97.7	Very high	93.4	Very high	28 Å²	28	37.3 Å²	37.3	14%	0.144	20%	0.203	C	C	.	.	H	α-helix	trans	-58.4	-47.6	-174.9	-66.4	171.5	0	0	0	111.8	E316 A320 V463 S467 L468 L469	E316-I465 HydrophobicContact CB-CD1 3.73Å; A320-I465 HydrophobicContact CB-CD1 4.22Å; A320-I465 HydrophobicContact CB-CG2 3.39Å; V463-I465 PolarHBondContact O-N 3.46Å; I465-S467 PolarHBondContact O-N 3.36Å; I465-L468 PolarHBondContact O-N 2.84Å; I465-L469 HydrophobicContact CG2-CD1 3.92Å; I465-L469 HydrophobicContact CG2-CG 4.08Å; I465-L469 WeakPolarHBondContact O-CG 3.49Å; I465-L469 PolarHBondContact O-N 3.43Å
466	P	96.8	Very high	92	Very high	90 Å²	90	38.5 Å²	38.5	58%	0.584	21%	0.212	S	C	*	.	H	α-helix	trans	-57	-46.2	178.9	-26.1	36.2	0	0	0	113.4	L469 E470	P466-L469 PolarHBondContact O-N 2.91Å; P466-E470 PolarHBondContact O-N 2.74Å
467	S	96.8	Very high	90.1	Very high	49 Å²	49	47 Å²	47	34%	0.343	25%	0.249	S	C	.	.	H	α-helix	trans	-62.2	-41.9	177.1	175.5	0	0	0	0	112.1	W404 D464 I465 E470 A471	W404-S467 PolarHBondContact NE1-OG 2.05Å; W404-S467 VanDerWaalsContact NE1-OG 3.12Å; D464-S467 PolarHBondContact O-N 3.39Å; D464-S467 WeakPolarHBondContact OD1-CA 3.17Å; D464-S467 WeakPolarHBondContact OD1-CB 3.25Å; D464-S467 PolarHBondContact OD1-N 3.37Å; I465-S467 PolarHBondContact O-N 3.36Å; S467-E470 PolarHBondContact O-N 2.8Å; S467-A471 PolarHBondContact O-N 3.11Å; S467-A471 VanDerWaalsContact O-N 3.14Å
468	L	96.8	Very high	88.1	Confident	1 Å²	1	51 Å²	51	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-65.4	-45.6	176.8	177	60.8	0	0	0	111.8	L317 V373 L375 W404 V463 D464 I465 E470 A471 L472	L317-L468 HydrophobicContact CD1-CD2 3.45Å; L317-L468 VanDerWaalsContact CD1-CD2 3.45Å; V373-L468 HydrophobicContact CG1-CD1 4.03Å; L375-L468 HydrophobicContact CD2-CD1 3.67Å; L375-L468 HydrophobicContact CD2-CD2 4.11Å; W404-L468 HydrophobicContact CB-CD1 3.69Å; W404-L468 HydrophobicContact CG-CB 4.32Å; W404-L468 HydrophobicContact CG-CD1 3.8Å; V463-L468 HydrophobicContact CG1-CB 4.19Å; V463-L468 HydrophobicContact CG1-CD2 3.74Å; D464-L468 PolarHBondContact O-N 2.99Å; I465-L468 PolarHBondContact O-N 2.84Å; L468-E470 VanDerWaalsContact C-N 3.26Å; L468-E470 PolarHBondContact O-N 2.9Å; L468-A471 WeakPolarHBondContact O-CB 3.4Å; L468-A471 PolarHBondContact O-N 2.83Å; L468-A471 VanDerWaalsContact O-N 3.15Å; L468-L472 HydrophobicContact CD1-CD1 4.31Å; L468-L472 HydrophobicContact CD1-CG 4.3Å; L468-L472 HydrophobicContact CG-CD1 4.15Å; L468-L472 WeakPolarHBondContact O-CG 3.27Å; L468-L472 PolarHBondContact O-N 3.17Å
469	L	95.3	Very high	86	Confident	17 Å²	17	51.8 Å²	51.8	9%	0.089	28%	0.276	C	S	.	.	H	α-helix	trans	-61.9	-36.6	178	-67.1	-176.8	0	0	0	111.5	L321 E324 F325 I465 P466 L472 R473	L321-L469 HydrophobicContact CD2-CD2 4.07Å; E324-L469 HydrophobicContact CB-CD1 4.26Å; E324-L469 HydrophobicContact CB-CD2 4.03Å; E324-L469 HydrophobicContact CG-CD1 4.37Å; E324-L469 HydrophobicContact CG-CD2 4.08Å; F325-L469 HydrophobicContact CE2-CD2 3.97Å; I465-L469 HydrophobicContact CG2-CD1 3.92Å; I465-L469 HydrophobicContact CG2-CG 4.08Å; I465-L469 WeakPolarHBondContact O-CG 3.49Å; I465-L469 PolarHBondContact O-N 3.43Å; P466-L469 PolarHBondContact O-N 2.91Å; L469-L472 PolarHBondContact O-N 3.48Å; L469-R473 VanDerWaalsContact O-CG 3.29Å; L469-R473 WeakPolarHBondContact O-CG 3.2Å; L469-R473 PolarHBondContact O-N 2.8Å
470	E	93.3	Very high	83.7	Confident	140 Å²	140	55.6 Å²	55.6	65%	0.654	30%	0.302	S	S	*	.	H	α-helix	trans	-59.5	-47.1	172.8	-173.9	176.5	-175	0	0	111.9	P466 S467 L468 L472 R473	P466-E470 PolarHBondContact O-N 2.74Å; S467-E470 PolarHBondContact O-N 2.8Å; L468-E470 VanDerWaalsContact C-N 3.26Å; L468-E470 PolarHBondContact O-N 2.9Å; E470-L472 VanDerWaalsContact C-N 3.27Å; E470-L472 PolarHBondContact O-N 2.98Å; E470-R473 PolarHBondContact O-N 3.2Å
471	A	91.8	Very high	80.9	Confident	34 Å²	34	62.8 Å²	62.8	28%	0.281	34%	0.34	S	S	.	.	H	α-helix	trans	-60.2	-36.1	176.2	0	0	0	0	0	112.4	V402 S467 L468	V402-A471 HydrophobicContact CG1-CB 4.13Å; S467-A471 PolarHBondContact O-N 3.11Å; S467-A471 VanDerWaalsContact O-N 3.14Å; L468-A471 WeakPolarHBondContact O-CB 3.4Å; L468-A471 PolarHBondContact O-N 2.83Å; L468-A471 VanDerWaalsContact O-N 3.15Å
472	L	90.9	Very high	78.3	Confident	3 Å²	3	67.1 Å²	67.1	2%	0.016	36%	0.363	C	S	.	.	H	α-helix	trans	-77.2	-33.7	-179.4	-66.4	175.7	0	0	0	114	L321 F325 V373 V402 L468 L469 E470 A474 I475 V476	L321-L472 HydrophobicContact CD2-CD1 3.62Å; F325-L472 HydrophobicContact CE2-CB 4.21Å; F325-L472 HydrophobicContact CE2-CD1 3.94Å; F325-L472 HydrophobicContact CZ-CB 3.65Å; F325-L472 HydrophobicContact CZ-CD1 4.25Å; V373-L472 HydrophobicContact CB-CD2 4.27Å; V373-L472 HydrophobicContact CG1-CD2 3.84Å; V373-L472 HydrophobicContact CG2-CD2 3.39Å; V402-L472 HydrophobicContact CB-CD2 4.47Å; V402-L472 HydrophobicContact CG1-CD2 4.27Å; V402-L472 HydrophobicContact CG2-CD2 4.29Å; L468-L472 HydrophobicContact CD1-CD1 4.31Å; L468-L472 HydrophobicContact CD1-CG 4.3Å; L468-L472 HydrophobicContact CG-CD1 4.15Å; L468-L472 WeakPolarHBondContact O-CG 3.27Å; L468-L472 PolarHBondContact O-N 3.17Å; L469-L472 PolarHBondContact O-N 3.48Å; E470-L472 VanDerWaalsContact C-N 3.27Å; E470-L472 PolarHBondContact O-N 2.98Å; L472-A474 PolarHBondContact O-N 3.38Å; L472-I475 PolarHBondContact O-N 3.18Å; L472-V476 PolarHBondContact O-N 2.74Å
473	R	84.2	Confident	75.5	Confident	111 Å²	111	73 Å²	73	42%	0.419	39%	0.386	S	S	.	.	H	α-helix	trans	-58.4	-33.4	-177.9	-82.4	170.5	179.3	161.2	6.5	113.4	E324 L469 E470 I475 K477	E324-R473 VanDerWaalsContact CD-NH2 3.34Å; E324-R473 IonicContact OE1-CZ 3.9Å; E324-R473 VanDerWaalsContact OE1-CZ 3.29Å; E324-R473 IonicContact OE1-NE 3.85Å; E324-R473 PolarHBondContact OE1-NE 3.13Å; E324-R473 IonicContact OE1-NH2 2.83Å; E324-R473 PolarHBondContact OE1-NH2 2.72Å; E324-R473 IonicContact OE2-CZ 3.37Å; E324-R473 IonicContact OE2-NH2 3.46Å; E324-R473 PolarHBondContact OE2-NH2 3.05Å; L469-R473 VanDerWaalsContact O-CG 3.29Å; L469-R473 WeakPolarHBondContact O-CG 3.2Å; L469-R473 PolarHBondContact O-N 2.8Å; E470-R473 PolarHBondContact O-N 3.2Å; R473-I475 PolarHBondContact O-N 3.07Å; R473-K477 WeakPolarHBondContact O-CG 3.3Å; R473-K477 PolarHBondContact O-N 2.84Å
474	A	71.5	Confident	72.8	Confident	68 Å²	68	81.8 Å²	81.8	56%	0.562	42%	0.424	S	S	*	.	H	α-helix	trans	-63.7	-30.8	178.7	0	0	0	0	0	112.9	L472 T478	L472-A474 PolarHBondContact O-N 3.38Å; A474-T478 WeakPolarHBondContact O-CG2 3.37Å; A474-T478 PolarHBondContact O-OG1 2.85Å
475	I	71.7	Confident	70.1	Confident	29 Å²	29	82 Å²	82	15%	0.149	43%	0.434	C	S	.	.	H	α-helix	trans	-90.2	-41.5	-173.5	-59.9	-116.7	0	0	0	110.7	V371 Q400 V402 L472 R473 K477 T478 R479	V371-I475 HydrophobicContact CG1-CG2 4.01Å; V371-I475 HydrophobicContact CG2-CG2 3.87Å; Q400-I475 HydrophobicContact CB-CG2 4.26Å; Q400-I475 VanDerWaalsContact OE1-CG2 3.26Å; V402-I475 HydrophobicContact CG2-CB 4.3Å; V402-I475 HydrophobicContact CG2-CD1 3.24Å; V402-I475 HydrophobicContact CG2-CG1 3.47Å; V402-I475 VanDerWaalsContact CG2-CG1 3.47Å; L472-I475 PolarHBondContact O-N 3.18Å; R473-I475 PolarHBondContact O-N 3.07Å; I475-K477 VanDerWaalsContact C-N 3.33Å; I475-K477 PolarHBondContact O-N 3.1Å; I475-T478 WeakPolarHBondContact CA-OG1 3.36Å; I475-T478 PolarHBondContact O-N 3.37Å; I475-T478 VanDerWaalsContact O-N 3.12Å; I475-T478 PolarHBondContact O-OG1 2.81Å; I475-R479 PolarHBondContact O-N 3.09Å
476	V	66	Low	67.4	Low	45 Å²	45	89.2 Å²	89.2	27%	0.273	46%	0.464	S	S	.	.	H	α-helix	trans	-67.2	-34.8	-178.9	177.2	0	0	0	0	112	F325 L472 T478 R479	F325-V476 HydrophobicContact CD1-CB 4.32Å; F325-V476 HydrophobicContact CD1-CG1 4.08Å; F325-V476 HydrophobicContact CD1-CG2 3.86Å; F325-V476 HydrophobicContact CE1-CB 3.86Å; F325-V476 HydrophobicContact CE1-CG1 4.09Å; F325-V476 HydrophobicContact CE1-CG2 3.39Å; F325-V476 HydrophobicContact CZ-CG2 4.18Å; L472-V476 PolarHBondContact O-N 2.74Å; V476-T478 PolarHBondContact O-N 2.79Å; V476-R479 PolarHBondContact O-N 3.3Å
477	K	57.3	Low	64.8	Low	183 Å²	183	90.3 Å²	90.3	80%	0.796	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-22.7	174.3	-72.3	-179	-178.9	179.1	0	113.8	R473 I475	R473-K477 WeakPolarHBondContact O-CG 3.3Å; R473-K477 PolarHBondContact O-N 2.84Å; I475-K477 VanDerWaalsContact C-N 3.33Å; I475-K477 PolarHBondContact O-N 3.1Å
478	T	54.3	Low	62.4	Low	88 Å²	88	92.4 Å²	92.4	54%	0.54	49%	0.492	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-1.5	-175.6	49.1	0	0	0	0	113.4	A474 I475 V476 P480	A474-T478 WeakPolarHBondContact O-CG2 3.37Å; A474-T478 PolarHBondContact O-OG1 2.85Å; I475-T478 WeakPolarHBondContact CA-OG1 3.36Å; I475-T478 PolarHBondContact O-N 3.37Å; I475-T478 VanDerWaalsContact O-N 3.12Å; I475-T478 PolarHBondContact O-OG1 2.81Å; V476-T478 PolarHBondContact O-N 2.79Å; T478-P480 WeakPolarHBondContact O-CD 3.34Å; T478-P480 WeakPolarHBondContact O-CG 3.32Å
479	R	53.7	Low	60.4	Low	72 Å²	72	97.1 Å²	97.1	27%	0.272	52%	0.524	S	S	.	.			trans	-46.5	102	174.9	-88.3	-170.1	179.7	176.6	7.6	109.7	E298 I475 V476 N481	E298-R479 VanDerWaalsContact CD-NH1 3.31Å; E298-R479 IonicContact OE1-NH1 3.88Å; E298-R479 PolarHBondContact OE1-NH1 3.33Å; E298-R479 IonicContact OE2-CZ 3.98Å; E298-R479 IonicContact OE2-NH1 3.72Å; E298-R479 PolarHBondContact OE2-NH1 2.86Å; E298-R479 IonicContact OE2-NH2 2.99Å; I475-R479 PolarHBondContact O-N 3.09Å; V476-R479 PolarHBondContact O-N 3.3Å; R479-N481 PolarHBondContact O-N 2.03Å
480	P	46.8	Very low	58.9	Low	85 Å²	85	100.9 Å²	100.9	55%	0.552	55%	0.548	S	S	*	.			trans	-68	136.5	174	-10.4	27.5	0	0	0	105.9	T478 L482	T478-P480 WeakPolarHBondContact O-CD 3.34Å; T478-P480 WeakPolarHBondContact O-CG 3.32Å; P480-L482 PolarHBondContact O-N 2.63Å
481	N	39.8	Very low	58	Low	152 Å²	152	97.1 Å²	97.1	81%	0.813	54%	0.535	S	S	*	.			trans	-57.5	94.4	162.6	-96.3	-39	0	0	0	107.3	R479 K483	R479-N481 PolarHBondContact O-N 2.03Å; N481-K483 PolarHBondContact O-N 3.36Å
482	L	44.8	Very low	57.7	Low	91 Å²	91	100.2 Å²	100.2	48%	0.476	54%	0.543	S	S	.	.			trans	-72.2	53.8	175.9	-88.4	150.8	0	0	0	109.5	P480 K484 A485	P480-L482 PolarHBondContact O-N 2.63Å; L482-K484 PolarHBondContact O-N 3.44Å; L482-A485 HydrophobicContact CD2-CB 3.95Å
483	K	39.2	Very low	57.5	Low	185 Å²	185	100.3 Å²	100.3	80%	0.804	54%	0.544	S	S	*	.	S	Bend	trans	-69	102.9	160.3	-75.5	-171.5	178.3	-179.1	0	106.7	N481	N481-K483 PolarHBondContact O-N 3.36Å
484	K	42.7	Very low	57.8	Low	187 Å²	187	95.8 Å²	95.8	81%	0.813	53%	0.532	S	S	*	.			trans	51.7	68.5	165.6	-61.5	-176.2	178	-176	0	113.4	L482 K486	L482-K484 PolarHBondContact O-N 3.44Å; K484-K486 PolarHBondContact O-N 3.45Å
485	A	40.4	Very low	58.8	Low	63 Å²	63	97.9 Å²	97.9	52%	0.521	53%	0.525	S	S	.	.			trans	-66.1	94.2	154.7	0	0	0	0	0	107.6	L482	L482-A485 HydrophobicContact CD2-CB 3.95Å
486	K	41.7	Very low	59.8	Low	181 Å²	181	96.6 Å²	96.6	79%	0.787	52%	0.519	S	S	*	.			trans	-56.7	140.4	163.1	-78.1	-176.7	175.7	-177.6	0	107.3	K484 A488	K484-K486 PolarHBondContact O-N 3.45Å; K486-A488 PolarHBondContact O-N 3.47Å
487	P	41.5	Very low	61.1	Low	112 Å²	112	99.4 Å²	99.4	73%	0.727	52%	0.524	S	S	*	.			trans	-52.6	118.8	177.9	21.4	-31.6	0	0	0	108.4	S489	P487-S489 PolarHBondContact O-N 2.8Å
488	A	47.8	Very low	62.8	Low	94 Å²	94	96.1 Å²	96.1	78%	0.777	51%	0.512	S	S	*	.			trans	-69.2	99.1	176.7	0	0	0	0	0	107.2	K486 T490	K486-A488 PolarHBondContact O-N 3.47Å; A488-T490 PolarHBondContact O-N 3.5Å; A488-T490 VanDerWaalsContact O-N 3.09Å
489	S	53.5	Low	64.6	Low	99 Å²	99	93.2 Å²	93.2	69%	0.692	49%	0.494	S	S	*	.			trans	-66.9	105.9	167.3	60.6	0	0	0	0	107.4	P487 V491	P487-S489 PolarHBondContact O-N 2.8Å; S489-V491 WeakPolarHBondContact O-CG2 3.36Å; S489-V491 PolarHBondContact O-N 2.91Å; S489-V491 VanDerWaalsContact O-N 3.16Å
490	T	64.4	Low	66.5	Low	96 Å²	96	94.6 Å²	94.6	59%	0.589	50%	0.504	S	S	*	.			trans	-68.1	110.5	171.3	-57.3	0	0	0	0	108.1	A488 L579	A488-T490 PolarHBondContact O-N 3.5Å; A488-T490 VanDerWaalsContact O-N 3.09Å; T490-L579 HydrophobicContact CG2-CD1 4.07Å; T490-L579 HydrophobicContact CG2-CD2 3.74Å
491	V	74.7	Confident	68.7	Low	62 Å²	62	92.3 Å²	92.3	38%	0.376	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-101	127.7	-178.5	-170.3	0	0	0	0	110.1	S489 L526	S489-V491 WeakPolarHBondContact O-CG2 3.36Å; S489-V491 PolarHBondContact O-N 2.91Å; S489-V491 VanDerWaalsContact O-N 3.16Å; V491-L526 HydrophobicContact CB-CD1 4.35Å; V491-L526 HydrophobicContact CB-CD2 3.95Å; V491-L526 HydrophobicContact CG1-CD1 3.74Å; V491-L526 HydrophobicContact CG1-CD2 3.7Å; V491-L526 HydrophobicContact CG1-CG 4.38Å; V491-L526 HydrophobicContact CG2-CD2 4.18Å
492	H	84.6	Confident	71.1	Confident	99 Å²	99	91.2 Å²	91.2	46%	0.458	48%	0.48	S	S	.	.	P	Polyproline II helix	trans	-90.6	154.5	-179.7	-69.5	-98.7	0	0	0	112.5	N522 L580	H492-N522 PolarHBondContact O-ND2 3.08Å; H492-L580 PolarHBondContact ND1-O 2.76Å
493	P	87.9	Confident	73.2	Confident	5 Å²	5	89.8 Å²	89.8	3%	0.032	48%	0.475	C	S	.	.	P	Polyproline II helix	trans	-63.1	141.6	171.2	-5.5	16.4	0	0	0	111.2	C573 F575 L579 G581 P582	P493-C573 HydrophobicContact CB-CB 3.78Å; P493-C573 HydrophobicContact CG-CB 4.43Å; P493-F575 VanDerWaalsContact CA-CZ 3.4Å; P493-F575 HydrophobicContact CB-CD1 4.04Å; P493-F575 HydrophobicContact CB-CD2 4.18Å; P493-F575 HydrophobicContact CB-CE1 3.6Å; P493-F575 HydrophobicContact CB-CE2 3.77Å; P493-F575 HydrophobicContact CB-CG 4.31Å; P493-F575 HydrophobicContact CB-CZ 3.48Å; P493-F575 VanDerWaalsContact CB-CZ 3.48Å; P493-F575 HydrophobicContact CG-CB 4.35Å; P493-F575 HydrophobicContact CG-CD1 3.73Å; P493-F575 HydrophobicContact CG-CD2 3.68Å; P493-F575 HydrophobicContact CG-CE1 3.84Å; P493-F575 HydrophobicContact CG-CE2 3.81Å; P493-F575 HydrophobicContact CG-CG 3.65Å; P493-F575 HydrophobicContact CG-CZ 3.9Å; P493-F575 VanDerWaalsContact N-CE2 3.32Å; P493-L579 WeakPolarHBondContact CD-O 3.46Å; P493-L579 VanDerWaalsContact CG-O 3.29Å; P493-L579 WeakPolarHBondContact CG-O 3.41Å; P493-G581 VanDerWaalsContact O-CA 3.29Å; P493-G581 WeakPolarHBondContact O-CA 3.37Å; P493-P582 WeakPolarHBondContact O-CD 3.33Å
494	G	88.6	Confident	75.3	Confident	15 Å²	15	83.3 Å²	83.3	16%	0.155	45%	0.453	C	S	.	.			trans	-71.9	176.7	164.7	0	0	0	0	0	111.8	P520 N522	G494-P520 WeakPolarHBondContact O-CB 3.45Å; G494-P520 WeakPolarHBondContact O-CG 3.48Å; G494-N522 PolarHBondContact N-ND2 2.95Å; G494-N522 PolarHBondContact N-OD1 2.96Å
495	R	93.4	Very high	77	Confident	112 Å²	112	77.5 Å²	77.5	42%	0.423	43%	0.433	S	S	.	.			trans	-61.5	142.1	172	-167.1	-175.9	-87.9	-171	0.4	110.7	P520 P582 F583 A584 D585	R495-P520 WeakPolarHBondContact O-CA 3.22Å; R495-P582 HydrophobicContact CB-CG 4.03Å; R495-F583 PolarHBondContact NE-O 2.73Å; R495-F583 VanDerWaalsContact NE-O 3.11Å; R495-A584 VanDerWaalsContact CG-CA 3.46Å; R495-A584 HydrophobicContact CG-CB 3.8Å; R495-D585 IonicContact CZ-OD1 2.98Å; R495-D585 IonicContact NH1-OD1 3.39Å; R495-D585 PolarHBondContact NH1-OD1 3.01Å; R495-D585 IonicContact NH1-OD2 2.57Å; R495-D585 PolarHBondContact NH1-OD2 3.12Å; R495-D585 IonicContact NH2-OD1 2.66Å
496	V	92.4	Very high	78.2	Confident	3 Å²	3	80.2 Å²	80.2	2%	0.018	44%	0.435	C	S	.	.			trans	-64.9	148.9	168	-58.2	0	0	0	0	109.7	W517 P520 Y533 V571 C573 A584	V496-W517 HydrophobicContact CB-CB 4.29Å; V496-W517 HydrophobicContact CB-CG 4.17Å; V496-W517 HydrophobicContact CG1-CG 4.47Å; V496-W517 HydrophobicContact CG2-CB 4.22Å; V496-W517 HydrophobicContact CG2-CG 4.25Å; V496-P520 HydrophobicContact CG1-CG 4.39Å; V496-Y533 HydrophobicContact CG1-CD1 3.89Å; V496-Y533 HydrophobicContact CG1-CE1 3.93Å; V496-V571 HydrophobicContact CG1-CG1 4.32Å; V496-V571 HydrophobicContact CG2-CB 3.92Å; V496-V571 HydrophobicContact CG2-CG1 3.88Å; V496-C573 HydrophobicContact CG1-CB 4.01Å; V496-A584 HydrophobicContact CG2-CB 3.48Å; V496-A584 VanDerWaalsContact CG2-CB 3.48Å
497	R	93.4	Very high	79.3	Confident	103 Å²	103	74 Å²	74	39%	0.389	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	148.4	-172.6	-62.5	-174.1	-64	148.7	11.7	110.4	Q518 I519	R497-Q518 HydrophobicContact CB-CB 4.05Å; R497-Q518 PolarHBondContact N-O 3.36Å; R497-Q518 WeakPolarHBondContact O-CA 3.49Å; R497-Q518 WeakPolarHBondContact O-CB 3.43Å; R497-Q518 PolarHBondContact O-N 3.34Å; R497-I519 PolarHBondContact NE-O 3.33Å; R497-I519 VanDerWaalsContact NE-O 3.11Å
498	E	92.4	Very high	80.3	Confident	114 Å²	114	74.3 Å²	74.3	53%	0.533	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	46.4	54.4	174.7	-61.2	172.1	-153	0	0	113.2	Q500 Q518	E498-Q500 PolarHBondContact O-N 2.96Å; E498-Q518 PolarHBondContact OE2-NE2 3.4Å
499	P	92.9	Very high	81.1	Confident	27 Å²	27	76.4 Å²	76.4	18%	0.175	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	138.1	172.7	32.9	-36.6	0	0	0	108.6	S516 W517 A584 L587	P499-S516 CarbonylContact C-O 3.58Å; P499-S516 WeakPolarHBondContact CA-O 3.39Å; P499-W517 HydrophobicContact CB-CB 4.34Å; P499-A584 HydrophobicContact CG-CB 3.99Å; P499-L587 HydrophobicContact CB-CD1 3.8Å; P499-L587 HydrophobicContact CB-CD2 4.07Å; P499-L587 HydrophobicContact CB-CG 3.98Å; P499-L587 HydrophobicContact CG-CD2 3.99Å; P499-L587 HydrophobicContact CG-CG 4.25Å; P499-L587 VanDerWaalsContact O-CD2 3.31Å; P499-L587 WeakPolarHBondContact O-CD2 3.05Å
500	Q	94.3	Very high	82.3	Confident	102 Å²	102	77.5 Å²	77.5	48%	0.477	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	150.7	179.9	-65.1	-178.8	7.7	0	0	109.6	E498 V515 S516	E498-Q500 PolarHBondContact O-N 2.96Å; Q500-V515 WeakPolarHBondContact O-CA 3.24Å; Q500-S516 PolarHBondContact N-O 2.98Å; Q500-S516 PolarHBondContact O-N 3.42Å
501	C	92.9	Very high	83.4	Confident	37 Å²	37	73.1 Å²	73.1	25%	0.25	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	146.3	169.2	55.5	0	0	0	0	112.5	L513 T514 V515 L587 C589	C501-L513 HydrophobicContact CB-CD1 3.9Å; C501-T514 CarbonylContact C-O 3.5Å; C501-T514 WeakPolarHBondContact CA-O 3.09Å; C501-T514 WeakPolarHBondContact CB-O 3.09Å; C501-V515 HydrophobicContact CB-CG2 4.4Å; C501-L587 HydrophobicContact CB-CD1 4.3Å; C501-C589 HydrophobicContact CB-CB 3.88Å; C501-C589 WeakPolarHBondContact CB-SG 3.33Å; C501-C589 VanDerWaalsContact SG-CA 3.52Å; C501-C589 WeakPolarHBondContact SG-CB 3.27Å; C501-C589 CovalentContact SG-SG 2.03Å; C501-C589 PolarHBondContact SG-SG 3.39Å
502	Q	90.6	Very high	84.1	Confident	129 Å²	129	73.1 Å²	73.1	60%	0.603	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127	135.9	176	-65.4	178.2	-0.4	0	0	107.9	T514	Q502-T514 PolarHBondContact N-O 3.27Å; Q502-T514 PolarHBondContact O-N 2.91Å
503	T	87.5	Confident	84.5	Confident	60 Å²	60	68.4 Å²	68.4	37%	0.368	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	145.5	-178.6	56.1	0	0	0	0	110.1	K512 L513 R590 T591	T503-K512 WeakPolarHBondContact CA-O 3.3Å; T503-L513 HydrophobicContact CG2-CD1 3.65Å; T503-R590 WeakPolarHBondContact CB-O 3.39Å; T503-R590 VanDerWaalsContact CG2-O 3.29Å; T503-R590 WeakPolarHBondContact CG2-O 3.01Å; T503-R590 PolarHBondContact OG1-O 3.24Å; T503-T591 HydrophobicContact CG2-CG2 3.62Å
504	S	84.1	Confident	84.8	Confident	50 Å²	50	69.3 Å²	69.3	35%	0.35	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	129	173.2	68.7	0	0	0	0	109.9	K512	S504-K512 PolarHBondContact N-O 2.83Å; S504-K512 PolarHBondContact O-N 2.9Å
505	V	78.3	Confident	85.1	Confident	64 Å²	64	68.6 Å²	68.6	39%	0.388	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	117.5	173.3	-175.7	0	0	0	0	107.7	A507 P563 T591	V505-A507 WeakPolarHBondContact CG1-O 3.45Å; V505-P563 HydrophobicContact CG1-CB 4.32Å; V505-T591 WeakPolarHBondContact CG2-OXT 3.41Å
506	Q	65.4	Low	85.1	Confident	120 Å²	120	64.6 Å²	64.6	56%	0.561	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98	-27.3	-176.4	-63.9	-171.2	-21.5	0	0	112	E510	Q506-E510 PolarHBondContact N-O 2.85Å; Q506-E510 VanDerWaalsContact N-O 3.13Å
507	A	63.8	Low	85.3	Confident	52 Å²	52	65.2 Å²	65.2	43%	0.43	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	173.4	175.9	0	0	0	0	0	111	V505 N509 E510	V505-A507 WeakPolarHBondContact CG1-O 3.45Å; A507-N509 PolarHBondContact O-N 2.03Å; A507-E510 PolarHBondContact O-N 2.78Å
508	T	62.8	Low	85.3	Confident	118 Å²	118	64 Å²	64	72%	0.724	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-17.2	-178.1	53.5	0	0	0	0	114.7
509	N	66.3	Low	85.3	Confident	137 Å²	137	61.4 Å²	61.4	73%	0.733	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.2	1.9	-177.5	-67.9	7	0	0	0	114.2	A507	A507-N509 PolarHBondContact O-N 2.03Å
510	E	78.1	Confident	85.2	Confident	122 Å²	122	60.2 Å²	60.2	57%	0.57	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.2	120.6	-175.6	-70.6	-174.4	-171.8	0	0	112.2	Q506 A507	Q506-E510 PolarHBondContact N-O 2.85Å; Q506-E510 VanDerWaalsContact N-O 3.13Å; A507-E510 PolarHBondContact O-N 2.78Å
511	A	86.6	Confident	85	Confident	4 Å²	4	62.6 Å²	62.6	3%	0.033	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	147.7	173.2	0	0	0	0	0	111.2	I561 P563 T591	A511-I561 HydrophobicContact CB-CG2 4.03Å; A511-P563 HydrophobicContact CB-CB 4.16Å; A511-T591 HydrophobicContact CB-CG2 4.29Å
512	K	90.2	Very high	84.7	Confident	62 Å²	62	62 Å²	62	27%	0.27	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	135.1	174.7	-68.4	176	177	160.2	0	109.4	T503 S504 T556 F557	T503-K512 WeakPolarHBondContact CA-O 3.3Å; S504-K512 PolarHBondContact N-O 2.83Å; S504-K512 PolarHBondContact O-N 2.9Å; K512-T556 HydrophobicContact CB-CG2 3.89Å; K512-T556 HydrophobicContact CD-CG2 4.28Å; K512-T556 HydrophobicContact CG-CG2 4.31Å; K512-F557 WeakPolarHBondContact CA-O 3.45Å
513	L	92.4	Very high	84.4	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	109.9	175.3	173	60.6	0	0	0	108.4	C501 T503 V515 I537 T556 F557 I561 V569 C589 T591	C501-L513 HydrophobicContact CB-CD1 3.9Å; T503-L513 HydrophobicContact CG2-CD1 3.65Å; L513-V515 HydrophobicContact CD1-CG2 4.26Å; L513-V515 HydrophobicContact CD2-CG2 4.37Å; L513-V515 HydrophobicContact CG-CG2 3.96Å; L513-I537 HydrophobicContact CD2-CD1 4.29Å; L513-I537 HydrophobicContact CD2-CG2 4.32Å; L513-T556 WeakPolarHBondContact O-CA 3.32Å; L513-F557 HydrophobicContact CB-CB 4.49Å; L513-F557 PolarHBondContact N-O 3.4Å; L513-F557 WeakPolarHBondContact O-CD2 3.03Å; L513-F557 PolarHBondContact O-N 2.79Å; L513-I561 HydrophobicContact CB-CD1 4.34Å; L513-I561 HydrophobicContact CB-CG1 4.29Å; L513-I561 HydrophobicContact CB-CG2 4.07Å; L513-I561 HydrophobicContact CD2-CD1 4.27Å; L513-V569 HydrophobicContact CD2-CG2 4.12Å; L513-C589 HydrophobicContact CD1-CB 3.5Å; L513-C589 VanDerWaalsContact CD1-CB 3.5Å; L513-C589 HydrophobicContact CD2-CB 4.44Å; L513-T591 HydrophobicContact CB-CG2 4.26Å
514	T	93.8	Very high	84.1	Confident	25 Å²	25	61.3 Å²	61.3	15%	0.153	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	125.4	173.4	-59.1	0	0	0	0	109	C501 Q502 N554 Y555 T556	C501-T514 CarbonylContact C-O 3.5Å; C501-T514 WeakPolarHBondContact CA-O 3.09Å; C501-T514 WeakPolarHBondContact CB-O 3.09Å; Q502-T514 PolarHBondContact N-O 3.27Å; Q502-T514 PolarHBondContact O-N 2.91Å; T514-N554 WeakPolarHBondContact CG2-OD1 3.48Å; T514-Y555 WeakPolarHBondContact CA-O 3.27Å; T514-T556 WeakPolarHBondContact OG1-CG2 3.38Å; T514-T556 PolarHBondContact OG1-OG1 2.84Å
515	V	94.8	Very high	83.9	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	131.7	177.8	-171.7	0	0	0	0	108.3	Q500 C501 L513 W517 N554 Y555 F557 V569 V571 L587	Q500-V515 WeakPolarHBondContact O-CA 3.24Å; C501-V515 HydrophobicContact CB-CG2 4.4Å; L513-V515 HydrophobicContact CD1-CG2 4.26Å; L513-V515 HydrophobicContact CD2-CG2 4.37Å; L513-V515 HydrophobicContact CG-CG2 3.96Å; V515-W517 HydrophobicContact CB-CZ3 4.2Å; V515-W517 HydrophobicContact CG1-CE3 3.96Å; V515-W517 HydrophobicContact CG1-CZ3 3.82Å; V515-N554 WeakPolarHBondContact O-CA 3.34Å; V515-N554 PolarHBondContact O-OD1 2.91Å; V515-Y555 PolarHBondContact N-O 2.77Å; V515-Y555 PolarHBondContact O-N 2.89Å; V515-F557 HydrophobicContact CB-CE2 4.15Å; V515-F557 HydrophobicContact CG2-CD2 4.1Å; V515-F557 HydrophobicContact CG2-CE2 3.81Å; V515-V569 HydrophobicContact CG1-CG1 4.1Å; V515-V569 HydrophobicContact CG2-CG1 4.16Å; V515-V571 HydrophobicContact CG1-CG2 4.19Å; V515-L587 HydrophobicContact CG1-CD1 4.12Å
516	S	95.4	Very high	84	Confident	28 Å²	28	65.4 Å²	65.4	20%	0.196	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	155.2	179.1	66.1	0	0	0	0	112.2	P499 Q500 Q553	P499-S516 CarbonylContact C-O 3.58Å; P499-S516 WeakPolarHBondContact CA-O 3.39Å; Q500-S516 PolarHBondContact N-O 2.98Å; Q500-S516 PolarHBondContact O-N 3.42Å; S516-Q553 CarbonylContact C-O 3.49Å; S516-Q553 WeakPolarHBondContact CA-O 3.29Å
517	W	95.9	Very high	84.3	Confident	16 Å²	16	70 Å²	70	6%	0.061	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	169.3	179.4	54.4	92.1	0	0	0	111.4	V496 P499 V515 Y533 V535 L550 H552 Q553 V571	V496-W517 HydrophobicContact CB-CB 4.29Å; V496-W517 HydrophobicContact CB-CG 4.17Å; V496-W517 HydrophobicContact CG1-CG 4.47Å; V496-W517 HydrophobicContact CG2-CB 4.22Å; V496-W517 HydrophobicContact CG2-CG 4.25Å; P499-W517 HydrophobicContact CB-CB 4.34Å; V515-W517 HydrophobicContact CB-CZ3 4.2Å; V515-W517 HydrophobicContact CG1-CE3 3.96Å; V515-W517 HydrophobicContact CG1-CZ3 3.82Å; W517-Y533 AromaticContact CD1-CE1 3.99Å; W517-Y533 AromaticContact CE2-CD1 3.84Å; W517-Y533 AromaticContact CE2-CG 3.73Å; W517-Y533 VanDerWaalsContact CZ2-CB 3.46Å; W517-Y533 HydrophobicContact CZ2-CD1 4.11Å; W517-Y533 AromaticContact CZ2-CD2 3.87Å; W517-Y533 HydrophobicContact CZ2-CD2 3.87Å; W517-Y533 AromaticContact CZ2-CG 3.52Å; W517-Y533 HydrophobicContact CZ2-CG 3.52Å; W517-Y533 AromaticContact NE1-CD1 3.09Å; W517-Y533 AromaticContact NE1-CD2 3.84Å; W517-Y533 AromaticContact NE1-CE1 3.3Å; W517-Y533 VanDerWaalsContact NE1-CE1 3.3Å; W517-Y533 AromaticContact NE1-CG 3.39Å; W517-Y533 AromaticContact NE1-CZ 3.79Å; W517-V535 HydrophobicContact CH2-CG2 3.61Å; W517-V535 HydrophobicContact CZ2-CG2 4.37Å; W517-V535 HydrophobicContact CZ3-CG2 3.95Å; W517-L550 HydrophobicContact CH2-CD1 3.93Å; W517-H552 VanDerWaalsContact CZ2-O 3.28Å; W517-H552 WeakPolarHBondContact CZ2-O 3.48Å; W517-Q553 HydrophobicContact CG-CB 4.49Å; W517-Q553 PolarHBondContact N-O 3.09Å; W517-Q553 VanDerWaalsContact O-CB 3.3Å; W517-Q553 WeakPolarHBondContact O-CB 3.39Å; W517-V571 HydrophobicContact CD2-CG1 3.65Å; W517-V571 HydrophobicContact CE3-CB 4.48Å; W517-V571 HydrophobicContact CE3-CG1 3.87Å; W517-V571 HydrophobicContact CE3-CG2 3.98Å; W517-V571 HydrophobicContact CG-CG1 4.18Å; W517-V571 HydrophobicContact CH2-CG1 4.2Å; W517-V571 HydrophobicContact CZ2-CG1 3.97Å; W517-V571 HydrophobicContact CZ3-CG1 4.15Å; W517-V571 HydrophobicContact CZ3-CG2 4.16Å
518	Q	93.8	Very high	84.8	Confident	76 Å²	76	69.2 Å²	69.2	36%	0.355	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	153.5	168.4	-63.8	-177.1	12.3	0	0	111.6	R497 E498	R497-Q518 HydrophobicContact CB-CB 4.05Å; R497-Q518 PolarHBondContact N-O 3.36Å; R497-Q518 WeakPolarHBondContact O-CA 3.49Å; R497-Q518 WeakPolarHBondContact O-CB 3.43Å; R497-Q518 PolarHBondContact O-N 3.34Å; E498-Q518 PolarHBondContact OE2-NE2 3.4Å
519	I	91.5	Very high	85.4	Confident	61 Å²	61	75.4 Å²	75.4	31%	0.313	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-64.1	153.5	177.6	64.9	174.5	0	0	0	112.5	R497 L523 Y533 Q553	R497-I519 PolarHBondContact NE-O 3.33Å; R497-I519 VanDerWaalsContact NE-O 3.11Å; I519-L523 HydrophobicContact CB-CD2 3.99Å; I519-L523 HydrophobicContact CD1-CB 4.47Å; I519-L523 HydrophobicContact CD1-CD2 3.94Å; I519-L523 HydrophobicContact CD1-CG 4.49Å; I519-L523 HydrophobicContact CG1-CD2 4.47Å; I519-L523 HydrophobicContact CG2-CD2 4.24Å; I519-Y533 VanDerWaalsContact CG2-OH 3.27Å; I519-Y533 WeakPolarHBondContact CG2-OH 3.37Å; I519-Q553 HydrophobicContact CG2-CG 3.96Å
520	P	91.7	Very high	86.1	Confident	1 Å²	1	71.7 Å²	71.7	1%	0.006	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-56.6	138.3	171.7	-25.6	35.9	0	0	0	112.2	G494 R495 V496 N522 L523 C573	G494-P520 WeakPolarHBondContact O-CB 3.45Å; G494-P520 WeakPolarHBondContact O-CG 3.48Å; R495-P520 WeakPolarHBondContact O-CA 3.22Å; V496-P520 HydrophobicContact CG1-CG 4.39Å; P520-N522 VanDerWaalsContact CB-OD1 3.25Å; P520-N522 WeakPolarHBondContact CB-OD1 3.01Å; P520-N522 PolarHBondContact O-N 3.03Å; P520-N522 VanDerWaalsContact O-N 3.16Å; P520-L523 VanDerWaalsContact O-CB 3.3Å; P520-L523 WeakPolarHBondContact O-CB 2.9Å; P520-L523 PolarHBondContact O-N 2.81Å; P520-L523 VanDerWaalsContact O-N 3.08Å; P520-C573 HydrophobicContact CG-CB 3.69Å
521	W	88.4	Confident	86.5	Confident	153 Å²	153	67.7 Å²	67.7	58%	0.58	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-23.1	-175.9	75	-85.9	0	0	0	113.5	L523 K524 Y525	W521-L523 VanDerWaalsContact C-N 3.34Å; W521-K524 VanDerWaalsContact O-CE 3.27Å; W521-K524 WeakPolarHBondContact O-CE 3.34Å; W521-K524 WeakPolarHBondContact O-CG 3.49Å; W521-Y525 HydrophobicContact CE3-CD2 4.4Å; W521-Y525 AromaticContact CE3-CE2 3.77Å; W521-Y525 HydrophobicContact CE3-CE2 3.77Å; W521-Y525 HydrophobicContact CZ3-CD2 4.2Å; W521-Y525 AromaticContact CZ3-CE2 3.61Å; W521-Y525 HydrophobicContact CZ3-CE2 3.61Å
522	N	87.9	Confident	86.8	Confident	25 Å²	25	70.7 Å²	70.7	13%	0.134	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-17.4	178.7	68	-32.1	0	0	0	112.7	H492 G494 P520 K524 Y525 L526	H492-N522 PolarHBondContact O-ND2 3.08Å; G494-N522 PolarHBondContact N-ND2 2.95Å; G494-N522 PolarHBondContact N-OD1 2.96Å; P520-N522 VanDerWaalsContact CB-OD1 3.25Å; P520-N522 WeakPolarHBondContact CB-OD1 3.01Å; P520-N522 PolarHBondContact O-N 3.03Å; P520-N522 VanDerWaalsContact O-N 3.16Å; N522-K524 PolarHBondContact O-N 3.28Å; N522-Y525 PolarHBondContact O-N 2.83Å; N522-L526 WeakPolarHBondContact O-CG 3.5Å
523	L	83.4	Confident	86.9	Confident	27 Å²	27	67.9 Å²	67.9	14%	0.141	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-58.7	-34.7	-178.1	-177.8	57.4	0	0	0	112.5	I519 P520 W521 Y525 L526 V528 V531 F575	I519-L523 HydrophobicContact CB-CD2 3.99Å; I519-L523 HydrophobicContact CD1-CB 4.47Å; I519-L523 HydrophobicContact CD1-CD2 3.94Å; I519-L523 HydrophobicContact CD1-CG 4.49Å; I519-L523 HydrophobicContact CG1-CD2 4.47Å; I519-L523 HydrophobicContact CG2-CD2 4.24Å; P520-L523 VanDerWaalsContact O-CB 3.3Å; P520-L523 WeakPolarHBondContact O-CB 2.9Å; P520-L523 PolarHBondContact O-N 2.81Å; P520-L523 VanDerWaalsContact O-N 3.08Å; W521-L523 VanDerWaalsContact C-N 3.34Å; L523-Y525 PolarHBondContact O-N 3.28Å; L523-L526 PolarHBondContact O-N 2.97Å; L523-L526 VanDerWaalsContact O-N 3.11Å; L523-V528 HydrophobicContact CD1-CB 4.12Å; L523-V528 HydrophobicContact CD1-CG2 3.85Å; L523-V531 HydrophobicContact CD1-CG2 3.88Å; L523-V531 HydrophobicContact CD2-CG1 4.35Å; L523-V531 HydrophobicContact CD2-CG2 4.12Å; L523-F575 HydrophobicContact CD1-CE1 3.65Å; L523-F575 HydrophobicContact CD1-CZ 3.86Å
524	K	82.1	Confident	87	Confident	146 Å²	146	69.1 Å²	69.1	64%	0.635	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-64.4	-18.7	178.1	64.4	178.1	161.4	158.8	0	114.5	W521 N522	W521-K524 VanDerWaalsContact O-CE 3.27Å; W521-K524 WeakPolarHBondContact O-CE 3.34Å; W521-K524 WeakPolarHBondContact O-CG 3.49Å; N522-K524 PolarHBondContact O-N 3.28Å
525	Y	79.8	Confident	87	Confident	157 Å²	157	67.9 Å²	67.9	62%	0.616	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-99.4	-3	178.9	-54.3	-63.3	0	0	0	112.5	W521 N522 L523	W521-Y525 HydrophobicContact CE3-CD2 4.4Å; W521-Y525 AromaticContact CE3-CE2 3.77Å; W521-Y525 HydrophobicContact CE3-CE2 3.77Å; W521-Y525 HydrophobicContact CZ3-CD2 4.2Å; W521-Y525 AromaticContact CZ3-CE2 3.61Å; W521-Y525 HydrophobicContact CZ3-CE2 3.61Å; N522-Y525 PolarHBondContact O-N 2.83Å; L523-Y525 PolarHBondContact O-N 3.28Å
526	L	79.4	Confident	87	Confident	44 Å²	44	70.6 Å²	70.6	23%	0.23	31%	0.31	C	S	.	.	S	Bend	trans	-114	131.9	-173	-59.2	175.7	0	0	0	110.4	V491 N522 L523 V528 F575	V491-L526 HydrophobicContact CB-CD1 4.35Å; V491-L526 HydrophobicContact CB-CD2 3.95Å; V491-L526 HydrophobicContact CG1-CD1 3.74Å; V491-L526 HydrophobicContact CG1-CD2 3.7Å; V491-L526 HydrophobicContact CG1-CG 4.38Å; V491-L526 HydrophobicContact CG2-CD2 4.18Å; N522-L526 WeakPolarHBondContact O-CG 3.5Å; L523-L526 PolarHBondContact O-N 2.97Å; L523-L526 VanDerWaalsContact O-N 3.11Å; L526-V528 VanDerWaalsContact C-N 3.3Å; L526-V528 HydrophobicContact CB-CG2 3.72Å; L526-V528 PolarHBondContact O-N 3.4Å; L526-V528 VanDerWaalsContact O-N 3.08Å; L526-F575 HydrophobicContact CD1-CD2 4.5Å; L526-F575 HydrophobicContact CD1-CE2 3.47Å; L526-F575 VanDerWaalsContact CD1-CE2 3.47Å; L526-F575 HydrophobicContact CD1-CZ 3.96Å
527	K	73.6	Confident	86.9	Confident	217 Å²	217	69.3 Å²	69.3	94%	0.943	30%	0.3	S	S	*	.			trans	-83.9	74.3	173.5	-65.7	-173.6	179.8	-176.9	0	109.8
528	V	74.1	Confident	86.8	Confident	35 Å²	35	70.3 Å²	70.3	21%	0.212	31%	0.306	C	S	.	.			trans	-92.2	134	-179.8	-172.4	0	0	0	0	110.1	L523 L526 E530 V531 F575	L523-V528 HydrophobicContact CD1-CB 4.12Å; L523-V528 HydrophobicContact CD1-CG2 3.85Å; L526-V528 VanDerWaalsContact C-N 3.3Å; L526-V528 HydrophobicContact CB-CG2 3.72Å; L526-V528 PolarHBondContact O-N 3.4Å; L526-V528 VanDerWaalsContact O-N 3.08Å; V528-E530 VanDerWaalsContact CG1-O 3.26Å; V528-E530 WeakPolarHBondContact CG1-O 3.38Å; V528-V531 HydrophobicContact CB-CG2 4.26Å; V528-V531 HydrophobicContact CG1-CG2 3.89Å; V528-F575 HydrophobicContact CB-CD1 4.49Å; V528-F575 HydrophobicContact CG1-CB 3.79Å; V528-F575 HydrophobicContact CG1-CD1 3.82Å; V528-F575 HydrophobicContact CG1-CG 3.8Å; V528-F575 HydrophobicContact CG2-CD1 4.09Å; V528-F575 HydrophobicContact CG2-CD2 3.88Å; V528-F575 HydrophobicContact CG2-CE1 4.19Å; V528-F575 HydrophobicContact CG2-CE2 3.97Å; V528-F575 HydrophobicContact CG2-CG 3.93Å; V528-F575 HydrophobicContact CG2-CZ 4.11Å
529	R	74.5	Confident	86.7	Confident	247 Å²	247	69 Å²	69	93%	0.932	30%	0.3	S	S	*	.	S	Bend	trans	-82.9	-35.2	-179.2	-67.7	-176.2	-179.8	-176.8	0.2	112.7	N576	R529-N576 PolarHBondContact N-OD1 3.07Å
530	E	80.1	Confident	86.6	Confident	60 Å²	60	71.7 Å²	71.7	28%	0.28	31%	0.311	S	S	.	.			trans	-139.4	128	-175.8	-171.2	178.9	-173.7	0	0	110.2	V528 K532 N576 K577	V528-E530 VanDerWaalsContact CG1-O 3.26Å; V528-E530 WeakPolarHBondContact CG1-O 3.38Å; E530-K532 WeakPolarHBondContact OE1-CE 3.41Å; E530-K532 IonicContact OE1-NZ 2.59Å; E530-K532 PolarHBondContact OE1-NZ 2.73Å; E530-N576 PolarHBondContact O-N 2.72Å; E530-K577 WeakPolarHBondContact OE2-CE 3.15Å; E530-K577 VanDerWaalsContact OE2-CG 3.25Å; E530-K577 WeakPolarHBondContact OE2-CG 3.36Å
531	V	87.6	Confident	86.2	Confident	38 Å²	38	75.3 Å²	75.3	23%	0.23	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	125	177.2	-177.5	0	0	0	0	108.5	L523 V528 Y533 I574 F575	L523-V531 HydrophobicContact CD1-CG2 3.88Å; L523-V531 HydrophobicContact CD2-CG1 4.35Å; L523-V531 HydrophobicContact CD2-CG2 4.12Å; V528-V531 HydrophobicContact CB-CG2 4.26Å; V528-V531 HydrophobicContact CG1-CG2 3.89Å; V531-Y533 HydrophobicContact CG1-CE1 4.35Å; V531-Y533 HydrophobicContact CG1-CE2 4.14Å; V531-Y533 WeakPolarHBondContact CG1-OH 3.16Å; V531-I574 WeakPolarHBondContact CA-O 3.35Å; V531-F575 HydrophobicContact CG2-CD1 4.25Å; V531-F575 HydrophobicContact CG2-CE1 4.41Å
532	K	92.4	Very high	86	Confident	67 Å²	67	72.9 Å²	72.9	29%	0.291	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	166.3	174.5	-72.1	178.4	172.4	159.5	0	109.9	E530 I549 C573 I574	E530-K532 WeakPolarHBondContact OE1-CE 3.41Å; E530-K532 IonicContact OE1-NZ 2.59Å; E530-K532 PolarHBondContact OE1-NZ 2.73Å; K532-I549 HydrophobicContact CB-CG2 4.19Å; K532-I549 HydrophobicContact CD-CG2 3.91Å; K532-I549 HydrophobicContact CG-CG2 4.48Å; K532-C573 CarbonylContact O-C 3.51Å; K532-I574 HydrophobicContact CB-CB 4.4Å; K532-I574 PolarHBondContact N-O 3.04Å; K532-I574 PolarHBondContact O-N 3.16Å
533	Y	92.6	Very high	85.6	Confident	3 Å²	3	79 Å²	79	1%	0.012	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	140.8	177.8	-56.2	-83	0	0	0	109.9	V496 W517 I519 V531 I549 L550 Q553 R572 C573	V496-Y533 HydrophobicContact CG1-CD1 3.89Å; V496-Y533 HydrophobicContact CG1-CE1 3.93Å; W517-Y533 AromaticContact CD1-CE1 3.99Å; W517-Y533 AromaticContact CE2-CD1 3.84Å; W517-Y533 AromaticContact CE2-CG 3.73Å; W517-Y533 VanDerWaalsContact CZ2-CB 3.46Å; W517-Y533 HydrophobicContact CZ2-CD1 4.11Å; W517-Y533 AromaticContact CZ2-CD2 3.87Å; W517-Y533 HydrophobicContact CZ2-CD2 3.87Å; W517-Y533 AromaticContact CZ2-CG 3.52Å; W517-Y533 HydrophobicContact CZ2-CG 3.52Å; W517-Y533 AromaticContact NE1-CD1 3.09Å; W517-Y533 AromaticContact NE1-CD2 3.84Å; W517-Y533 AromaticContact NE1-CE1 3.3Å; W517-Y533 VanDerWaalsContact NE1-CE1 3.3Å; W517-Y533 AromaticContact NE1-CG 3.39Å; W517-Y533 AromaticContact NE1-CZ 3.79Å; I519-Y533 VanDerWaalsContact CG2-OH 3.27Å; I519-Y533 WeakPolarHBondContact CG2-OH 3.37Å; V531-Y533 HydrophobicContact CG1-CE1 4.35Å; V531-Y533 HydrophobicContact CG1-CE2 4.14Å; V531-Y533 WeakPolarHBondContact CG1-OH 3.16Å; Y533-I549 CarbonylContact O-C 3.58Å; Y533-I549 WeakPolarHBondContact O-CA 3.27Å; Y533-L550 PolarHBondContact N-O 3.15Å; Y533-L550 PolarHBondContact O-N 2.96Å; Y533-Q553 HydrophobicContact CE2-CG 3.93Å; Y533-R572 CarbonylContact C-O 3.58Å; Y533-R572 VanDerWaalsContact CA-O 3.24Å; Y533-R572 WeakPolarHBondContact CA-O 3.29Å; Y533-C573 HydrophobicContact CD1-CB 4.09Å; Y533-C573 HydrophobicContact CE1-CB 3.98Å
534	E	94.9	Very high	85.6	Confident	25 Å²	25	82.8 Å²	82.8	12%	0.117	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	125.7	172	-179.2	174.7	-173.7	0	0	109.1	W536 Y548 I549 V571 R572 I574	E534-W536 PolarHBondContact OE1-NE1 3.14Å; E534-Y548 CarbonylContact C-O 3.42Å; E534-Y548 VanDerWaalsContact CA-O 3.29Å; E534-Y548 WeakPolarHBondContact CA-O 3.43Å; E534-I549 HydrophobicContact CB-CD1 3.66Å; E534-I549 HydrophobicContact CG-CD1 3.74Å; E534-V571 CarbonylContact O-C 3.58Å; E534-V571 WeakPolarHBondContact O-CA 3.24Å; E534-R572 HydrophobicContact CB-CG 3.93Å; E534-R572 PolarHBondContact N-O 3.1Å; E534-R572 PolarHBondContact O-N 3.22Å; E534-R572 IonicContact OE1-NH2 2.69Å; E534-R572 PolarHBondContact OE1-NH2 3.07Å; E534-R572 IonicContact OE2-CZ 3.13Å; E534-R572 IonicContact OE2-NE 2.72Å; E534-R572 PolarHBondContact OE2-NE 3.05Å; E534-R572 IonicContact OE2-NH2 2.68Å; E534-R572 PolarHBondContact OE2-NH2 3.18Å; E534-I574 HydrophobicContact CB-CD1 4Å
535	V	94.2	Very high	85.8	Confident	0 Å²	0	81 Å²	81	0%	0	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	123.6	-179.1	-177.7	0	0	0	0	108.9	W517 I537 P547 Y548 L550 F557 V569 W570 V571	W517-V535 HydrophobicContact CH2-CG2 3.61Å; W517-V535 HydrophobicContact CZ2-CG2 4.37Å; W517-V535 HydrophobicContact CZ3-CG2 3.95Å; V535-I537 HydrophobicContact CG1-CG1 4.1Å; V535-P547 CarbonylContact O-C 3.59Å; V535-P547 WeakPolarHBondContact O-CA 3.3Å; V535-Y548 PolarHBondContact N-O 3.26Å; V535-Y548 PolarHBondContact O-N 3.15Å; V535-L550 HydrophobicContact CB-CD1 4.44Å; V535-L550 HydrophobicContact CG2-CD1 3.76Å; V535-F557 HydrophobicContact CB-CZ 4.3Å; V535-F557 HydrophobicContact CG1-CE2 4.33Å; V535-F557 HydrophobicContact CG1-CZ 3.98Å; V535-V569 HydrophobicContact CG1-CG1 3.67Å; V535-W570 CarbonylContact C-O 3.6Å; V535-W570 VanDerWaalsContact CA-O 3.25Å; V535-W570 WeakPolarHBondContact CA-O 3.38Å; V535-V571 HydrophobicContact CG1-CG2 4.27Å; V535-V571 HydrophobicContact CG2-CG1 4.1Å; V535-V571 HydrophobicContact CG2-CG2 4.02Å
536	W	94.9	Very high	86.3	Confident	57 Å²	57	75.9 Å²	75.9	22%	0.216	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	131.7	172.5	-66.1	-0.5	0	0	0	109.1	E534 Y545 M546 V569 W570 F583	E534-W536 PolarHBondContact OE1-NE1 3.14Å; W536-Y545 HydrophobicContact CB-CD2 4.08Å; W536-Y545 AromaticContact CD2-CD2 3.84Å; W536-Y545 HydrophobicContact CD2-CD2 3.84Å; W536-Y545 AromaticContact CD2-CE2 3.68Å; W536-Y545 HydrophobicContact CD2-CE2 3.68Å; W536-Y545 AromaticContact CE2-CE2 3.69Å; W536-Y545 HydrophobicContact CE3-CD2 4.22Å; W536-Y545 HydrophobicContact CE3-CE2 4.09Å; W536-Y545 AromaticContact CG-CD2 3.79Å; W536-Y545 HydrophobicContact CG-CD2 3.79Å; W536-Y545 AromaticContact CG-CE2 3.99Å; W536-Y545 HydrophobicContact CG-CE2 3.99Å; W536-Y545 HydrophobicContact CH2-CE2 4.47Å; W536-Y545 HydrophobicContact CZ2-CE2 4.11Å; W536-Y545 HydrophobicContact CZ3-CE2 4.47Å; W536-Y545 AromaticContact NE1-CE2 3.98Å; W536-M546 WeakPolarHBondContact CA-O 3.32Å; W536-V569 CarbonylContact O-C 3.59Å; W536-V569 VanDerWaalsContact O-CA 3.24Å; W536-V569 WeakPolarHBondContact O-CA 3.27Å; W536-W570 HydrophobicContact CB-CB 4.4Å; W536-W570 HydrophobicContact CB-CE3 4.12Å; W536-W570 PolarHBondContact N-O 3.15Å; W536-W570 PolarHBondContact O-N 3.21Å; W536-F583 HydrophobicContact CD2-CE1 4.21Å; W536-F583 HydrophobicContact CD2-CE2 4.44Å; W536-F583 AromaticContact CD2-CZ 3.65Å; W536-F583 HydrophobicContact CD2-CZ 3.65Å; W536-F583 AromaticContact CE2-CZ 3.57Å; W536-F583 HydrophobicContact CE3-CE2 4.2Å; W536-F583 AromaticContact CE3-CZ 3.84Å; W536-F583 HydrophobicContact CE3-CZ 3.84Å; W536-F583 HydrophobicContact CG-CE1 4.41Å; W536-F583 HydrophobicContact CG-CZ 4.28Å; W536-F583 AromaticContact CH2-CE2 3.92Å; W536-F583 HydrophobicContact CH2-CE2 3.92Å; W536-F583 AromaticContact CH2-CZ 3.93Å; W536-F583 HydrophobicContact CH2-CZ 3.93Å; W536-F583 HydrophobicContact CZ2-CE2 4.15Å; W536-F583 AromaticContact CZ2-CZ 3.73Å; W536-F583 HydrophobicContact CZ2-CZ 3.73Å; W536-F583 AromaticContact CZ3-CE2 3.94Å; W536-F583 HydrophobicContact CZ3-CE2 3.94Å; W536-F583 AromaticContact CZ3-CZ 3.97Å; W536-F583 HydrophobicContact CZ3-CZ 3.97Å
537	I	92.6	Very high	86.9	Confident	0 Å²	0	77.4 Å²	77.4	0%	0	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	121.5	177.3	-56.2	178.1	0	0	0	108.3	L513 V535 Y545 M546 Y548 F557 I561 Y567 V569	L513-I537 HydrophobicContact CD2-CD1 4.29Å; L513-I537 HydrophobicContact CD2-CG2 4.32Å; V535-I537 HydrophobicContact CG1-CG1 4.1Å; I537-Y545 CarbonylContact O-C 3.44Å; I537-Y545 WeakPolarHBondContact O-CA 3.32Å; I537-M546 HydrophobicContact CB-CE 4.22Å; I537-M546 HydrophobicContact CG2-CE 3.94Å; I537-M546 PolarHBondContact N-O 2.88Å; I537-M546 PolarHBondContact O-N 3.42Å; I537-Y548 HydrophobicContact CD1-CD2 4.23Å; I537-Y548 HydrophobicContact CD1-CE2 3.93Å; I537-Y548 HydrophobicContact CG1-CD2 4.49Å; I537-Y548 HydrophobicContact CG1-CE2 4.35Å; I537-F557 HydrophobicContact CD1-CB 4.34Å; I537-F557 HydrophobicContact CD1-CD1 3.76Å; I537-F557 HydrophobicContact CD1-CD2 3.62Å; I537-F557 HydrophobicContact CD1-CE1 3.87Å; I537-F557 HydrophobicContact CD1-CE2 3.75Å; I537-F557 HydrophobicContact CD1-CG 3.63Å; I537-F557 HydrophobicContact CD1-CZ 3.85Å; I537-I561 HydrophobicContact CG2-CD1 4.4Å; I537-Y567 HydrophobicContact CG2-CD1 3.55Å; I537-Y567 HydrophobicContact CG2-CE1 4.24Å; I537-Y567 HydrophobicContact CG2-CG 4.02Å; I537-V569 HydrophobicContact CG1-CG1 4.32Å; I537-V569 HydrophobicContact CG1-CG2 4.29Å; I537-V569 HydrophobicContact CG2-CG2 4.45Å
538	Q	93	Very high	87.7	Confident	38 Å²	38	70 Å²	70	18%	0.178	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	133.3	-179.8	-176.4	176.5	25.1	0	0	110.2	E542 Y567 L568 W570	Q538-E542 PolarHBondContact NE2-O 2.86Å; Q538-Y567 CarbonylContact O-C 3.49Å; Q538-Y567 VanDerWaalsContact O-CA 3.24Å; Q538-Y567 WeakPolarHBondContact O-CA 3.44Å; Q538-L568 HydrophobicContact CB-CB 4.44Å; Q538-L568 PolarHBondContact N-O 2.67Å; Q538-L568 PolarHBondContact O-N 3.26Å; Q538-W570 HydrophobicContact CB-CH2 4.37Å; Q538-W570 HydrophobicContact CB-CZ3 3.8Å
539	E	92.1	Very high	88.4	Confident	49 Å²	49	72.9 Å²	72.9	23%	0.229	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	132.8	171.4	-177.9	168.2	168.8	0	0	109.9	G541 E542 K562 T565 Y567	E539-G541 PolarHBondContact O-N 3.2Å; E539-G541 VanDerWaalsContact O-N 3.14Å; E539-E542 HydrophobicContact CB-CB 4.24Å; E539-E542 HydrophobicContact CB-CG 4.05Å; E539-E542 HydrophobicContact CG-CG 4.2Å; E539-E542 PolarHBondContact O-N 2.88Å; E539-E542 VanDerWaalsContact O-N 3.07Å; E539-K562 IonicContact OE1-NZ 3.15Å; E539-K562 PolarHBondContact OE1-NZ 3.32Å; E539-K562 VanDerWaalsContact OE1-NZ 3.15Å; E539-K562 IonicContact OE2-NZ 2.73Å; E539-K562 PolarHBondContact OE2-NZ 3.26Å; E539-T565 HydrophobicContact CG-CG2 3.66Å; E539-Y567 HydrophobicContact CB-CD1 4.29Å; E539-Y567 HydrophobicContact CB-CE1 4.01Å
540	Q	88.9	Confident	89.1	Confident	117 Å²	117	61.6 Å²	61.6	55%	0.547	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	116.2	-176.6	-173	178.7	27.5	0	0	110.8	T566	Q540-T566 HydrophobicContact CB-CG2 4.35Å; Q540-T566 WeakPolarHBondContact CB-O 3.43Å; Q540-T566 PolarHBondContact N-O 2.78Å
541	G	83	Confident	89.4	Confident	77 Å²	77	62.3 Å²	62.3	79%	0.794	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	106.1	-12.9	-177.3	0	0	0	0	0	114.1	E539	E539-G541 PolarHBondContact O-N 3.2Å; E539-G541 VanDerWaalsContact O-N 3.14Å
542	E	84.8	Confident	89.3	Confident	101 Å²	101	66.3 Å²	66.3	47%	0.472	35%	0.349	S	S	.	.			trans	-94.7	149.2	174.4	-68.9	-65	164.7	0	0	111.3	Q538 E539	Q538-E542 PolarHBondContact NE2-O 2.86Å; E539-E542 HydrophobicContact CB-CB 4.24Å; E539-E542 HydrophobicContact CB-CG 4.05Å; E539-E542 HydrophobicContact CG-CG 4.2Å; E539-E542 PolarHBondContact O-N 2.88Å; E539-E542 VanDerWaalsContact O-N 3.07Å
543	N	80.1	Confident	89.2	Confident	154 Å²	154	66.8 Å²	66.8	82%	0.824	35%	0.353	S	S	*	.	S	Bend	trans	-91	-7.8	178.1	-74.8	-27.1	0	0	0	113.7
544	T	82.4	Confident	89.1	Confident	107 Å²	107	71 Å²	71	66%	0.656	38%	0.375	S	S	*	.			trans	-99.9	138.7	-178.9	53.8	0	0	0	0	111.2
545	Y	87.8	Confident	89	Confident	109 Å²	109	75.2 Å²	75.2	43%	0.427	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	157	177	65	-87.1	0	0	0	111	W536 I537 P547	W536-Y545 HydrophobicContact CB-CD2 4.08Å; W536-Y545 AromaticContact CD2-CD2 3.84Å; W536-Y545 HydrophobicContact CD2-CD2 3.84Å; W536-Y545 AromaticContact CD2-CE2 3.68Å; W536-Y545 HydrophobicContact CD2-CE2 3.68Å; W536-Y545 AromaticContact CE2-CE2 3.69Å; W536-Y545 HydrophobicContact CE3-CD2 4.22Å; W536-Y545 HydrophobicContact CE3-CE2 4.09Å; W536-Y545 AromaticContact CG-CD2 3.79Å; W536-Y545 HydrophobicContact CG-CD2 3.79Å; W536-Y545 AromaticContact CG-CE2 3.99Å; W536-Y545 HydrophobicContact CG-CE2 3.99Å; W536-Y545 HydrophobicContact CH2-CE2 4.47Å; W536-Y545 HydrophobicContact CZ2-CE2 4.11Å; W536-Y545 HydrophobicContact CZ3-CE2 4.47Å; W536-Y545 AromaticContact NE1-CE2 3.98Å; I537-Y545 CarbonylContact O-C 3.44Å; I537-Y545 WeakPolarHBondContact O-CA 3.32Å; Y545-P547 HydrophobicContact CD2-CB 4.36Å; Y545-P547 HydrophobicContact CE2-CB 4.11Å; Y545-P547 HydrophobicContact CE2-CG 4.23Å; Y545-P547 WeakPolarHBondContact O-CD 3.48Å
546	M	89.4	Confident	88.9	Confident	48 Å²	48	78.2 Å²	78.2	24%	0.236	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	109.4	178.3	-62.1	174.7	-75.4	0	0	109.3	W536 I537 Y548 N560 Y567	W536-M546 WeakPolarHBondContact CA-O 3.32Å; I537-M546 HydrophobicContact CB-CE 4.22Å; I537-M546 HydrophobicContact CG2-CE 3.94Å; I537-M546 PolarHBondContact N-O 2.88Å; I537-M546 PolarHBondContact O-N 3.42Å; M546-Y548 HydrophobicContact CB-CE2 3.61Å; M546-Y548 WeakPolarHBondContact O-CD2 3.25Å; M546-Y548 WeakPolarHBondContact O-CE2 3.41Å; M546-N560 HydrophobicContact SD-CB 3.78Å; M546-Y567 HydrophobicContact CE-CE1 4.36Å
547	P	91.7	Very high	88.7	Confident	77 Å²	77	75.8 Å²	75.8	50%	0.5	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	137	177.9	33.1	-32.4	0	0	0	112.3	V535 Y545	V535-P547 CarbonylContact O-C 3.59Å; V535-P547 WeakPolarHBondContact O-CA 3.3Å; Y545-P547 HydrophobicContact CD2-CB 4.36Å; Y545-P547 HydrophobicContact CE2-CB 4.11Å; Y545-P547 HydrophobicContact CE2-CG 4.23Å; Y545-P547 WeakPolarHBondContact O-CD 3.48Å
548	Y	90.2	Very high	88.4	Confident	60 Å²	60	79.1 Å²	79.1	24%	0.235	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	139.8	177.5	-60.3	-89.6	0	0	0	110.9	E534 V535 I537 M546 F557	E534-Y548 CarbonylContact C-O 3.42Å; E534-Y548 VanDerWaalsContact CA-O 3.29Å; E534-Y548 WeakPolarHBondContact CA-O 3.43Å; V535-Y548 PolarHBondContact N-O 3.26Å; V535-Y548 PolarHBondContact O-N 3.15Å; I537-Y548 HydrophobicContact CD1-CD2 4.23Å; I537-Y548 HydrophobicContact CD1-CE2 3.93Å; I537-Y548 HydrophobicContact CG1-CD2 4.49Å; I537-Y548 HydrophobicContact CG1-CE2 4.35Å; M546-Y548 HydrophobicContact CB-CE2 3.61Å; M546-Y548 WeakPolarHBondContact O-CD2 3.25Å; M546-Y548 WeakPolarHBondContact O-CE2 3.41Å; Y548-F557 HydrophobicContact CD1-CD1 4.4Å; Y548-F557 AromaticContact CD1-CE1 3.94Å; Y548-F557 HydrophobicContact CD1-CE1 3.94Å; Y548-F557 HydrophobicContact CD2-CD1 4.17Å; Y548-F557 AromaticContact CD2-CE1 3.55Å; Y548-F557 HydrophobicContact CD2-CE1 3.55Å; Y548-F557 HydrophobicContact CD2-CZ 4.29Å; Y548-F557 HydrophobicContact CE1-CD1 4.27Å; Y548-F557 HydrophobicContact CE1-CE1 4.25Å; Y548-F557 HydrophobicContact CE2-CD1 4.04Å; Y548-F557 AromaticContact CE2-CE1 3.89Å; Y548-F557 HydrophobicContact CE2-CE1 3.89Å; Y548-F557 HydrophobicContact CG-CD1 4.36Å; Y548-F557 AromaticContact CG-CE1 3.57Å; Y548-F557 HydrophobicContact CG-CE1 3.57Å; Y548-F557 HydrophobicContact CG-CZ 4.43Å
549	I	90.4	Very high	87.9	Confident	96 Å²	96	84.3 Å²	84.3	49%	0.492	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	116.7	171.4	-57.5	-61.9	0	0	0	109.1	K532 Y533 E534 I574	K532-I549 HydrophobicContact CB-CG2 4.19Å; K532-I549 HydrophobicContact CD-CG2 3.91Å; K532-I549 HydrophobicContact CG-CG2 4.48Å; Y533-I549 CarbonylContact O-C 3.58Å; Y533-I549 WeakPolarHBondContact O-CA 3.27Å; E534-I549 HydrophobicContact CB-CD1 3.66Å; E534-I549 HydrophobicContact CG-CD1 3.74Å; I549-I574 HydrophobicContact CD1-CD1 4.1Å
550	L	88.8	Confident	87.3	Confident	11 Å²	11	87.7 Å²	87.7	6%	0.058	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	138.2	-172.9	-60.5	177.3	0	0	0	111.6	W517 Y533 V535 Y555 F557	W517-L550 HydrophobicContact CH2-CD1 3.93Å; Y533-L550 PolarHBondContact N-O 3.15Å; Y533-L550 PolarHBondContact O-N 2.96Å; V535-L550 HydrophobicContact CB-CD1 4.44Å; V535-L550 HydrophobicContact CG2-CD1 3.76Å; L550-Y555 HydrophobicContact CD1-CD1 4.28Å; L550-Y555 HydrophobicContact CD1-CG 3.9Å; L550-Y555 HydrophobicContact CD2-CD1 4.11Å; L550-Y555 HydrophobicContact CD2-CD2 3.83Å; L550-Y555 HydrophobicContact CD2-CE1 4.42Å; L550-Y555 HydrophobicContact CD2-CE2 4.15Å; L550-Y555 HydrophobicContact CD2-CG 3.81Å; L550-F557 HydrophobicContact CD1-CE1 4.5Å; L550-F557 HydrophobicContact CD1-CZ 3.83Å
551	P	85	Confident	87.4	Confident	75 Å²	75	82.6 Å²	82.6	49%	0.487	44%	0.444	S	S	.	.	S	Bend	trans	-85.1	-9	176	31.6	-32.1	0	0	0	113.7
552	H	86.5	Confident	87.6	Confident	122 Å²	122	83.8 Å²	83.8	57%	0.565	43%	0.427	S	S	*	.	S	Bend	trans	-127	158.8	-172.8	-55.7	-51.9	0	0	0	111.5	W517 N554	W517-H552 VanDerWaalsContact CZ2-O 3.28Å; W517-H552 WeakPolarHBondContact CZ2-O 3.48Å; H552-N554 VanDerWaalsContact C-N 3.26Å; H552-N554 PolarHBondContact O-N 2.81Å
553	Q	89.6	Confident	87.7	Confident	77 Å²	77	80.3 Å²	80.3	36%	0.36	41%	0.413	S	S	.	.	S	Bend	trans	-85.2	6.6	-176.2	-50.7	81.8	-5	0	0	114.1	S516 W517 I519 Y533	S516-Q553 CarbonylContact C-O 3.49Å; S516-Q553 WeakPolarHBondContact CA-O 3.29Å; W517-Q553 HydrophobicContact CG-CB 4.49Å; W517-Q553 PolarHBondContact N-O 3.09Å; W517-Q553 VanDerWaalsContact O-CB 3.3Å; W517-Q553 WeakPolarHBondContact O-CB 3.39Å; I519-Q553 HydrophobicContact CG2-CG 3.96Å; Y533-Q553 HydrophobicContact CE2-CG 3.93Å
554	N	91.8	Very high	88.1	Confident	91 Å²	91	80.2 Å²	80.2	49%	0.487	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	129.7	179.5	-175.6	3.3	0	0	0	108.8	T514 V515 H552	T514-N554 WeakPolarHBondContact CG2-OD1 3.48Å; V515-N554 WeakPolarHBondContact O-CA 3.34Å; V515-N554 PolarHBondContact O-OD1 2.91Å; H552-N554 VanDerWaalsContact C-N 3.26Å; H552-N554 PolarHBondContact O-N 2.81Å
555	Y	92.6	Very high	88.4	Confident	114 Å²	114	76.2 Å²	76.2	45%	0.447	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	143	177.6	-167.4	-95.7	0	0	0	111.5	T514 V515 L550 F557	T514-Y555 WeakPolarHBondContact CA-O 3.27Å; V515-Y555 PolarHBondContact N-O 2.77Å; V515-Y555 PolarHBondContact O-N 2.89Å; L550-Y555 HydrophobicContact CD1-CD1 4.28Å; L550-Y555 HydrophobicContact CD1-CG 3.9Å; L550-Y555 HydrophobicContact CD2-CD1 4.11Å; L550-Y555 HydrophobicContact CD2-CD2 3.83Å; L550-Y555 HydrophobicContact CD2-CE1 4.42Å; L550-Y555 HydrophobicContact CD2-CE2 4.15Å; L550-Y555 HydrophobicContact CD2-CG 3.81Å; Y555-F557 AromaticContact CD1-CD1 3.71Å; Y555-F557 HydrophobicContact CD1-CD1 3.71Å; Y555-F557 HydrophobicContact CD1-CD2 4.09Å; Y555-F557 AromaticContact CD1-CE1 3.54Å; Y555-F557 HydrophobicContact CD1-CE1 3.54Å; Y555-F557 AromaticContact CD1-CE2 3.94Å; Y555-F557 HydrophobicContact CD1-CE2 3.94Å; Y555-F557 AromaticContact CD1-CG 3.99Å; Y555-F557 HydrophobicContact CD1-CG 3.99Å; Y555-F557 AromaticContact CD1-CZ 3.68Å; Y555-F557 HydrophobicContact CD1-CZ 3.68Å; Y555-F557 AromaticContact CE1-CD1 3.76Å; Y555-F557 HydrophobicContact CE1-CD1 3.76Å; Y555-F557 AromaticContact CE1-CE1 3.85Å; Y555-F557 HydrophobicContact CE1-CE1 3.85Å; Y555-F557 HydrophobicContact CE1-CG 4.28Å; Y555-F557 HydrophobicContact CE1-CZ 4.45Å; Y555-F557 HydrophobicContact CG-CZ 4.48Å
556	T	91.9	Very high	88.6	Confident	62 Å²	62	72.7 Å²	72.7	38%	0.38	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	116.2	176.7	-57.6	0	0	0	0	110.1	K512 L513 T514	K512-T556 HydrophobicContact CB-CG2 3.89Å; K512-T556 HydrophobicContact CD-CG2 4.28Å; K512-T556 HydrophobicContact CG-CG2 4.31Å; L513-T556 WeakPolarHBondContact O-CA 3.32Å; T514-T556 WeakPolarHBondContact OG1-CG2 3.38Å; T514-T556 PolarHBondContact OG1-OG1 2.84Å
557	F	90.8	Very high	88.9	Confident	6 Å²	6	70.5 Å²	70.5	3%	0.026	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	121.9	174.3	-55.1	-86.8	0	0	0	109.4	K512 L513 V515 V535 I537 Y548 L550 Y555 I561	K512-F557 WeakPolarHBondContact CA-O 3.45Å; L513-F557 HydrophobicContact CB-CB 4.49Å; L513-F557 PolarHBondContact N-O 3.4Å; L513-F557 WeakPolarHBondContact O-CD2 3.03Å; L513-F557 PolarHBondContact O-N 2.79Å; V515-F557 HydrophobicContact CB-CE2 4.15Å; V515-F557 HydrophobicContact CG2-CD2 4.1Å; V515-F557 HydrophobicContact CG2-CE2 3.81Å; V535-F557 HydrophobicContact CB-CZ 4.3Å; V535-F557 HydrophobicContact CG1-CE2 4.33Å; V535-F557 HydrophobicContact CG1-CZ 3.98Å; I537-F557 HydrophobicContact CD1-CB 4.34Å; I537-F557 HydrophobicContact CD1-CD1 3.76Å; I537-F557 HydrophobicContact CD1-CD2 3.62Å; I537-F557 HydrophobicContact CD1-CE1 3.87Å; I537-F557 HydrophobicContact CD1-CE2 3.75Å; I537-F557 HydrophobicContact CD1-CG 3.63Å; I537-F557 HydrophobicContact CD1-CZ 3.85Å; Y548-F557 HydrophobicContact CD1-CD1 4.4Å; Y548-F557 AromaticContact CD1-CE1 3.94Å; Y548-F557 HydrophobicContact CD1-CE1 3.94Å; Y548-F557 HydrophobicContact CD2-CD1 4.17Å; Y548-F557 AromaticContact CD2-CE1 3.55Å; Y548-F557 HydrophobicContact CD2-CE1 3.55Å; Y548-F557 HydrophobicContact CD2-CZ 4.29Å; Y548-F557 HydrophobicContact CE1-CD1 4.27Å; Y548-F557 HydrophobicContact CE1-CE1 4.25Å; Y548-F557 HydrophobicContact CE2-CD1 4.04Å; Y548-F557 AromaticContact CE2-CE1 3.89Å; Y548-F557 HydrophobicContact CE2-CE1 3.89Å; Y548-F557 HydrophobicContact CG-CD1 4.36Å; Y548-F557 AromaticContact CG-CE1 3.57Å; Y548-F557 HydrophobicContact CG-CE1 3.57Å; Y548-F557 HydrophobicContact CG-CZ 4.43Å; L550-F557 HydrophobicContact CD1-CE1 4.5Å; L550-F557 HydrophobicContact CD1-CZ 3.83Å; Y555-F557 AromaticContact CD1-CD1 3.71Å; Y555-F557 HydrophobicContact CD1-CD1 3.71Å; Y555-F557 HydrophobicContact CD1-CD2 4.09Å; Y555-F557 AromaticContact CD1-CE1 3.54Å; Y555-F557 HydrophobicContact CD1-CE1 3.54Å; Y555-F557 AromaticContact CD1-CE2 3.94Å; Y555-F557 HydrophobicContact CD1-CE2 3.94Å; Y555-F557 AromaticContact CD1-CG 3.99Å; Y555-F557 HydrophobicContact CD1-CG 3.99Å; Y555-F557 AromaticContact CD1-CZ 3.68Å; Y555-F557 HydrophobicContact CD1-CZ 3.68Å; Y555-F557 AromaticContact CE1-CD1 3.76Å; Y555-F557 HydrophobicContact CE1-CD1 3.76Å; Y555-F557 AromaticContact CE1-CE1 3.85Å; Y555-F557 HydrophobicContact CE1-CE1 3.85Å; Y555-F557 HydrophobicContact CE1-CG 4.28Å; Y555-F557 HydrophobicContact CE1-CZ 4.45Å; Y555-F557 HydrophobicContact CG-CZ 4.48Å; F557-I561 HydrophobicContact CB-CD1 4.18Å; F557-I561 HydrophobicContact CB-CG1 3.87Å
558	S	86.6	Confident	89	Confident	71 Å²	71	68.5 Å²	68.5	50%	0.497	35%	0.345	S	S	.	.			trans	-117	-21.7	175.1	52.9	0	0	0	0	113
559	E	81.1	Confident	89.2	Confident	147 Å²	147	65.7 Å²	65.7	69%	0.687	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	135.6	178.5	-64.7	-179.1	-179.2	0	0	110.1	I561	E559-I561 PolarHBondContact O-N 3.17Å; E559-I561 VanDerWaalsContact O-N 3.17Å
560	N	81	Confident	89.4	Confident	119 Å²	119	63.9 Å²	63.9	64%	0.636	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.9	19.7	179.5	-54	-41.7	0	0	0	115.3	M546 Y567	M546-N560 HydrophobicContact SD-CB 3.78Å; N560-Y567 PolarHBondContact O-OH 2.81Å
561	I	89.1	Confident	89.7	Confident	10 Å²	10	63.5 Å²	63.5	5%	0.051	32%	0.32	C	S	.	.			trans	-100.3	113.7	173.3	-57.7	-55.4	0	0	0	109.2	A511 L513 I537 F557 E559 Y567 T591	A511-I561 HydrophobicContact CB-CG2 4.03Å; L513-I561 HydrophobicContact CB-CD1 4.34Å; L513-I561 HydrophobicContact CB-CG1 4.29Å; L513-I561 HydrophobicContact CB-CG2 4.07Å; L513-I561 HydrophobicContact CD2-CD1 4.27Å; I537-I561 HydrophobicContact CG2-CD1 4.4Å; F557-I561 HydrophobicContact CB-CD1 4.18Å; F557-I561 HydrophobicContact CB-CG1 3.87Å; E559-I561 PolarHBondContact O-N 3.17Å; E559-I561 VanDerWaalsContact O-N 3.17Å; I561-Y567 HydrophobicContact CD1-CE2 4.46Å; I561-Y567 HydrophobicContact CG2-CE2 4.07Å; I561-T591 HydrophobicContact CG2-CG2 3.63Å
562	K	88.2	Confident	90.2	Very high	103 Å²	103	62 Å²	62	45%	0.448	30%	0.304	S	S	.	.			trans	-85.9	146.4	179.7	-63.6	171.7	-173.6	161.5	0	110.3	E539 T565 Y567 T591	E539-K562 IonicContact OE1-NZ 3.15Å; E539-K562 PolarHBondContact OE1-NZ 3.32Å; E539-K562 VanDerWaalsContact OE1-NZ 3.15Å; E539-K562 IonicContact OE2-NZ 2.73Å; E539-K562 PolarHBondContact OE2-NZ 3.26Å; K562-T565 WeakPolarHBondContact CB-OG1 3.24Å; K562-Y567 PolarHBondContact N-OH 2.66Å; K562-T591 WeakPolarHBondContact O-CB 3.41Å; K562-T591 PolarHBondContact O-OG1 2.72Å
563	P	86.7	Confident	90.5	Very high	28 Å²	28	56.2 Å²	56.2	18%	0.182	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	155.7	170.8	29.7	-33.8	0	0	0	111.3	V505 A511 T565	V505-P563 HydrophobicContact CG1-CB 4.32Å; A511-P563 HydrophobicContact CB-CB 4.16Å; P563-T565 PolarHBondContact O-N 3.03Å; P563-T565 VanDerWaalsContact O-N 3.12Å; P563-T565 PolarHBondContact O-OG1 3.08Å
564	F	88.3	Confident	90.4	Very high	152 Å²	152	53.1 Å²	53.1	67%	0.667	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.6	24.3	175.1	-47.6	-64.3	0	0	0	115.1	T591	F564-T591 CarbonylContact C-O 3.59Å; F564-T591 WeakPolarHBondContact CA-O 2.9Å; F564-T591 PolarHBondContact N-O 2.98Å; F564-T591 PolarHBondContact N-OXT 3.15Å
565	T	89.4	Confident	90.1	Very high	22 Å²	22	49 Å²	49	14%	0.135	24%	0.241	C	C	.	.			trans	-113.8	142.3	-172.3	-59.2	0	0	0	0	110.1	E539 K562 P563 Y567 R590 T591	E539-T565 HydrophobicContact CG-CG2 3.66Å; K562-T565 WeakPolarHBondContact CB-OG1 3.24Å; P563-T565 PolarHBondContact O-N 3.03Å; P563-T565 VanDerWaalsContact O-N 3.12Å; P563-T565 PolarHBondContact O-OG1 3.08Å; T565-Y567 HydrophobicContact CG2-CD2 4.28Å; T565-Y567 HydrophobicContact CG2-CE1 4.33Å; T565-Y567 HydrophobicContact CG2-CE2 3.72Å; T565-R590 WeakPolarHBondContact O-CA 3Å; T565-T591 PolarHBondContact N-O 2.9Å; T565-T591 PolarHBondContact N-OG1 3.13Å; T565-T591 PolarHBondContact O-N 2.86Å; T565-T591 PolarHBondContact O-OG1 3.15Å
566	T	92.8	Very high	89.2	Confident	36 Å²	36	47.3 Å²	47.3	22%	0.221	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	124.3	176.4	-57.1	0	0	0	0	109.6	Q540	Q540-T566 HydrophobicContact CB-CG2 4.35Å; Q540-T566 WeakPolarHBondContact CB-O 3.43Å; Q540-T566 PolarHBondContact N-O 2.78Å
567	Y	93.8	Very high	88	Confident	1 Å²	1	51.1 Å²	51.1	0%	0.004	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	137.2	177.7	-68.7	-81.6	0	0	0	111.1	I537 Q538 E539 M546 N560 I561 K562 T565 M588 C589 T591	I537-Y567 HydrophobicContact CG2-CD1 3.55Å; I537-Y567 HydrophobicContact CG2-CE1 4.24Å; I537-Y567 HydrophobicContact CG2-CG 4.02Å; Q538-Y567 CarbonylContact O-C 3.49Å; Q538-Y567 VanDerWaalsContact O-CA 3.24Å; Q538-Y567 WeakPolarHBondContact O-CA 3.44Å; E539-Y567 HydrophobicContact CB-CD1 4.29Å; E539-Y567 HydrophobicContact CB-CE1 4.01Å; M546-Y567 HydrophobicContact CE-CE1 4.36Å; N560-Y567 PolarHBondContact O-OH 2.81Å; I561-Y567 HydrophobicContact CD1-CE2 4.46Å; I561-Y567 HydrophobicContact CG2-CE2 4.07Å; K562-Y567 PolarHBondContact N-OH 2.66Å; T565-Y567 HydrophobicContact CG2-CD2 4.28Å; T565-Y567 HydrophobicContact CG2-CE1 4.33Å; T565-Y567 HydrophobicContact CG2-CE2 3.72Å; Y567-M588 WeakPolarHBondContact O-CA 3.41Å; Y567-C589 PolarHBondContact N-O 3.2Å; Y567-C589 PolarHBondContact O-N 2.75Å; Y567-T591 HydrophobicContact CD2-CG2 4.29Å; Y567-T591 HydrophobicContact CE2-CG2 4.3Å
568	L	94.7	Very high	87.3	Confident	35 Å²	35	57.3 Å²	57.3	18%	0.183	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	123.4	165.6	-57.8	-179.1	0	0	0	108.5	Q538 W570 V586 L587 M588	Q538-L568 HydrophobicContact CB-CB 4.44Å; Q538-L568 PolarHBondContact N-O 2.67Å; Q538-L568 PolarHBondContact O-N 3.26Å; L568-W570 HydrophobicContact CB-CE3 4.46Å; L568-W570 HydrophobicContact CB-CH2 3.36Å; L568-W570 HydrophobicContact CB-CZ2 4.08Å; L568-W570 HydrophobicContact CB-CZ3 3.59Å; L568-W570 HydrophobicContact CD1-CH2 3.81Å; L568-W570 HydrophobicContact CD1-CZ2 4.32Å; L568-W570 HydrophobicContact CG-CH2 4.23Å; L568-W570 WeakPolarHBondContact O-CZ3 3.47Å; L568-V586 HydrophobicContact CB-CG2 3.91Å; L568-V586 HydrophobicContact CD2-CG2 4.13Å; L568-L587 CarbonylContact C-O 3.51Å; L568-L587 WeakPolarHBondContact CA-O 3.49Å; L568-M588 HydrophobicContact CD2-CG 3.75Å
569	V	94.2	Very high	87.1	Confident	1 Å²	1	56 Å²	56	1%	0.006	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	127.9	-177.4	-173.5	0	0	0	0	110.8	L513 V515 V535 W536 I537 V571 L587 C589	L513-V569 HydrophobicContact CD2-CG2 4.12Å; V515-V569 HydrophobicContact CG1-CG1 4.1Å; V515-V569 HydrophobicContact CG2-CG1 4.16Å; V535-V569 HydrophobicContact CG1-CG1 3.67Å; W536-V569 CarbonylContact O-C 3.59Å; W536-V569 VanDerWaalsContact O-CA 3.24Å; W536-V569 WeakPolarHBondContact O-CA 3.27Å; I537-V569 HydrophobicContact CG1-CG1 4.32Å; I537-V569 HydrophobicContact CG1-CG2 4.29Å; I537-V569 HydrophobicContact CG2-CG2 4.45Å; V569-V571 HydrophobicContact CG1-CG2 4.34Å; V569-L587 HydrophobicContact CB-CB 4.18Å; V569-L587 PolarHBondContact N-O 3.48Å; V569-L587 PolarHBondContact O-N 2.59Å; V569-C589 HydrophobicContact CG2-CB 4.46Å
570	W	95.7	Very high	87.4	Confident	59 Å²	59	52.5 Å²	52.5	22%	0.223	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	141.3	172.9	-62.8	-93.9	0	0	0	110.6	V535 W536 Q538 L568 F583 V586	V535-W570 CarbonylContact C-O 3.6Å; V535-W570 VanDerWaalsContact CA-O 3.25Å; V535-W570 WeakPolarHBondContact CA-O 3.38Å; W536-W570 HydrophobicContact CB-CB 4.4Å; W536-W570 HydrophobicContact CB-CE3 4.12Å; W536-W570 PolarHBondContact N-O 3.15Å; W536-W570 PolarHBondContact O-N 3.21Å; Q538-W570 HydrophobicContact CB-CH2 4.37Å; Q538-W570 HydrophobicContact CB-CZ3 3.8Å; L568-W570 HydrophobicContact CB-CE3 4.46Å; L568-W570 HydrophobicContact CB-CH2 3.36Å; L568-W570 HydrophobicContact CB-CZ2 4.08Å; L568-W570 HydrophobicContact CB-CZ3 3.59Å; L568-W570 HydrophobicContact CD1-CH2 3.81Å; L568-W570 HydrophobicContact CD1-CZ2 4.32Å; L568-W570 HydrophobicContact CG-CH2 4.23Å; L568-W570 WeakPolarHBondContact O-CZ3 3.47Å; W570-F583 HydrophobicContact CB-CB 4.46Å; W570-F583 HydrophobicContact CB-CD1 3.5Å; W570-F583 VanDerWaalsContact CB-CD1 3.5Å; W570-F583 HydrophobicContact CB-CE1 3.84Å; W570-F583 HydrophobicContact CB-CG 4.07Å; W570-F583 HydrophobicContact CG-CD1 4.47Å; W570-V586 HydrophobicContact CD2-CG2 4.12Å; W570-V586 HydrophobicContact CH2-CG2 4.29Å; W570-V586 HydrophobicContact CZ2-CB 4.35Å; W570-V586 HydrophobicContact CZ2-CG2 3.64Å
571	V	95	Very high	87.8	Confident	3 Å²	3	47.1 Å²	47.1	2%	0.018	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	131.8	178.5	-173.8	0	0	0	0	110.2	V496 V515 W517 E534 V535 V569 F583 A584	V496-V571 HydrophobicContact CG1-CG1 4.32Å; V496-V571 HydrophobicContact CG2-CB 3.92Å; V496-V571 HydrophobicContact CG2-CG1 3.88Å; V515-V571 HydrophobicContact CG1-CG2 4.19Å; W517-V571 HydrophobicContact CD2-CG1 3.65Å; W517-V571 HydrophobicContact CE3-CB 4.48Å; W517-V571 HydrophobicContact CE3-CG1 3.87Å; W517-V571 HydrophobicContact CE3-CG2 3.98Å; W517-V571 HydrophobicContact CG-CG1 4.18Å; W517-V571 HydrophobicContact CH2-CG1 4.2Å; W517-V571 HydrophobicContact CZ2-CG1 3.97Å; W517-V571 HydrophobicContact CZ3-CG1 4.15Å; W517-V571 HydrophobicContact CZ3-CG2 4.16Å; E534-V571 CarbonylContact O-C 3.58Å; E534-V571 WeakPolarHBondContact O-CA 3.24Å; V535-V571 HydrophobicContact CG1-CG2 4.27Å; V535-V571 HydrophobicContact CG2-CG1 4.1Å; V535-V571 HydrophobicContact CG2-CG2 4.02Å; V569-V571 HydrophobicContact CG1-CG2 4.34Å; V571-F583 WeakPolarHBondContact O-CA 3.34Å; V571-A584 PolarHBondContact O-N 3.26Å
572	R	94.3	Very high	88	Confident	44 Å²	44	49.9 Å²	49.9	17%	0.166	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	155.5	170.3	66.8	179.6	178.5	-168.1	-1.8	112.2	Y533 E534 G581 F583	Y533-R572 CarbonylContact C-O 3.58Å; Y533-R572 VanDerWaalsContact CA-O 3.24Å; Y533-R572 WeakPolarHBondContact CA-O 3.29Å; E534-R572 HydrophobicContact CB-CG 3.93Å; E534-R572 PolarHBondContact N-O 3.1Å; E534-R572 PolarHBondContact O-N 3.22Å; E534-R572 IonicContact OE1-NH2 2.69Å; E534-R572 PolarHBondContact OE1-NH2 3.07Å; E534-R572 IonicContact OE2-CZ 3.13Å; E534-R572 IonicContact OE2-NE 2.72Å; E534-R572 PolarHBondContact OE2-NE 3.05Å; E534-R572 IonicContact OE2-NH2 2.68Å; E534-R572 PolarHBondContact OE2-NH2 3.18Å; R572-G581 WeakPolarHBondContact CD-O 3.3Å; R572-F583 HydrophobicContact CB-CD1 3.66Å; R572-F583 HydrophobicContact CB-CE1 3.95Å; R572-F583 HydrophobicContact CB-CG 4.15Å; R572-F583 HydrophobicContact CG-CD1 3.86Å; R572-F583 HydrophobicContact CG-CE1 3.58Å; R572-F583 HydrophobicContact CG-CZ 4Å
573	C	92.2	Very high	88.2	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	148.8	177	-174.1	0	0	0	0	111	P493 V496 P520 K532 Y533 G581	P493-C573 HydrophobicContact CB-CB 3.78Å; P493-C573 HydrophobicContact CG-CB 4.43Å; V496-C573 HydrophobicContact CG1-CB 4.01Å; P520-C573 HydrophobicContact CG-CB 3.69Å; K532-C573 CarbonylContact O-C 3.51Å; Y533-C573 HydrophobicContact CD1-CB 4.09Å; Y533-C573 HydrophobicContact CE1-CB 3.98Å; C573-G581 PolarHBondContact O-N 3.12Å
574	I	88.3	Confident	88.4	Confident	12 Å²	12	46 Å²	46	6%	0.062	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	128.1	178.6	-50.4	-175	0	0	0	109.4	V531 K532 E534 I549 L579 L580	V531-I574 WeakPolarHBondContact CA-O 3.35Å; K532-I574 HydrophobicContact CB-CB 4.4Å; K532-I574 PolarHBondContact N-O 3.04Å; K532-I574 PolarHBondContact O-N 3.16Å; E534-I574 HydrophobicContact CB-CD1 4Å; I549-I574 HydrophobicContact CD1-CD1 4.1Å; I574-L579 CarbonylContact C-O 3.56Å; I574-L579 WeakPolarHBondContact CA-O 3.3Å; I574-L580 HydrophobicContact CB-CD2 4.48Å; I574-L580 HydrophobicContact CD1-CD2 3.68Å; I574-L580 HydrophobicContact CG1-CD2 3.69Å; I574-L580 HydrophobicContact CG2-CD2 4.21Å
575	F	85.9	Confident	88.5	Confident	4 Å²	4	43.9 Å²	43.9	2%	0.018	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	144.1	170.2	-61.6	-18.5	0	0	0	111.5	P493 L523 L526 V528 V531 K577 N578 L579	P493-F575 VanDerWaalsContact CA-CZ 3.4Å; P493-F575 HydrophobicContact CB-CD1 4.04Å; P493-F575 HydrophobicContact CB-CD2 4.18Å; P493-F575 HydrophobicContact CB-CE1 3.6Å; P493-F575 HydrophobicContact CB-CE2 3.77Å; P493-F575 HydrophobicContact CB-CG 4.31Å; P493-F575 HydrophobicContact CB-CZ 3.48Å; P493-F575 VanDerWaalsContact CB-CZ 3.48Å; P493-F575 HydrophobicContact CG-CB 4.35Å; P493-F575 HydrophobicContact CG-CD1 3.73Å; P493-F575 HydrophobicContact CG-CD2 3.68Å; P493-F575 HydrophobicContact CG-CE1 3.84Å; P493-F575 HydrophobicContact CG-CE2 3.81Å; P493-F575 HydrophobicContact CG-CG 3.65Å; P493-F575 HydrophobicContact CG-CZ 3.9Å; P493-F575 VanDerWaalsContact N-CE2 3.32Å; L523-F575 HydrophobicContact CD1-CE1 3.65Å; L523-F575 HydrophobicContact CD1-CZ 3.86Å; L526-F575 HydrophobicContact CD1-CD2 4.5Å; L526-F575 HydrophobicContact CD1-CE2 3.47Å; L526-F575 VanDerWaalsContact CD1-CE2 3.47Å; L526-F575 HydrophobicContact CD1-CZ 3.96Å; V528-F575 HydrophobicContact CB-CD1 4.49Å; V528-F575 HydrophobicContact CG1-CB 3.79Å; V528-F575 HydrophobicContact CG1-CD1 3.82Å; V528-F575 HydrophobicContact CG1-CG 3.8Å; V528-F575 HydrophobicContact CG2-CD1 4.09Å; V528-F575 HydrophobicContact CG2-CD2 3.88Å; V528-F575 HydrophobicContact CG2-CE1 4.19Å; V528-F575 HydrophobicContact CG2-CE2 3.97Å; V528-F575 HydrophobicContact CG2-CG 3.93Å; V528-F575 HydrophobicContact CG2-CZ 4.11Å; V531-F575 HydrophobicContact CG2-CD1 4.25Å; V531-F575 HydrophobicContact CG2-CE1 4.41Å; F575-K577 PolarHBondContact O-N 2.9Å; F575-N578 PolarHBondContact O-N 2.73Å; F575-L579 HydrophobicContact CB-CB 4.06Å; F575-L579 HydrophobicContact CB-CD1 4.46Å; F575-L579 PolarHBondContact N-O 3.47Å; F575-L579 PolarHBondContact O-N 2.97Å
576	N	72.4	Confident	88.6	Confident	79 Å²	79	46 Å²	46	42%	0.422	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	44.7	43.8	167.7	-60.9	-24.3	0	0	0	113	R529 E530 N578	R529-N576 PolarHBondContact N-OD1 3.07Å; E530-N576 PolarHBondContact O-N 2.72Å; N576-N578 VanDerWaalsContact C-N 3.25Å; N576-N578 PolarHBondContact O-N 3.14Å
577	K	67.8	Low	88.6	Confident	142 Å²	142	45.6 Å²	45.6	62%	0.617	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.9	-33	178.7	-51.9	-178.2	-179.8	-179.2	0	117.3	E530 F575	E530-K577 WeakPolarHBondContact OE2-CE 3.15Å; E530-K577 VanDerWaalsContact OE2-CG 3.25Å; E530-K577 WeakPolarHBondContact OE2-CG 3.36Å; F575-K577 PolarHBondContact O-N 2.9Å
578	N	74.9	Confident	88.6	Confident	136 Å²	136	52.1 Å²	52.1	73%	0.727	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.6	-9.2	-168.4	-62.5	0.1	0	0	0	115.6	F575 N576 L580	F575-N578 PolarHBondContact O-N 2.73Å; N576-N578 VanDerWaalsContact C-N 3.25Å; N576-N578 PolarHBondContact O-N 3.14Å; N578-L580 PolarHBondContact O-N 2.94Å
579	L	83.4	Confident	88.4	Confident	44 Å²	44	50.5 Å²	50.5	23%	0.23	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	102.4	-177.5	-64.9	176	0	0	0	110.4	T490 P493 I574 F575	T490-L579 HydrophobicContact CG2-CD1 4.07Å; T490-L579 HydrophobicContact CG2-CD2 3.74Å; P493-L579 WeakPolarHBondContact CD-O 3.46Å; P493-L579 VanDerWaalsContact CG-O 3.29Å; P493-L579 WeakPolarHBondContact CG-O 3.41Å; I574-L579 CarbonylContact C-O 3.56Å; I574-L579 WeakPolarHBondContact CA-O 3.3Å; F575-L579 HydrophobicContact CB-CB 4.06Å; F575-L579 HydrophobicContact CB-CD1 4.46Å; F575-L579 PolarHBondContact N-O 3.47Å; F575-L579 PolarHBondContact O-N 2.97Å
580	L	88.2	Confident	88.2	Confident	73 Å²	73	59.1 Å²	59.1	38%	0.382	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	136.1	-176.4	-56.6	172.7	0	0	0	111.5	H492 I574 N578	H492-L580 PolarHBondContact ND1-O 2.76Å; I574-L580 HydrophobicContact CB-CD2 4.48Å; I574-L580 HydrophobicContact CD1-CD2 3.68Å; I574-L580 HydrophobicContact CG1-CD2 3.69Å; I574-L580 HydrophobicContact CG2-CD2 4.21Å; N578-L580 PolarHBondContact O-N 2.94Å
581	G	88.8	Confident	87.7	Confident	6 Å²	6	56.8 Å²	56.8	6%	0.062	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-91.8	168.8	164.9	0	0	0	0	0	111.7	P493 R572 C573	P493-G581 VanDerWaalsContact O-CA 3.29Å; P493-G581 WeakPolarHBondContact O-CA 3.37Å; R572-G581 WeakPolarHBondContact CD-O 3.3Å; C573-G581 PolarHBondContact O-N 3.12Å
582	P	92.3	Very high	87.4	Confident	68 Å²	68	59.5 Å²	59.5	44%	0.442	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-67.2	151	174.8	29.8	-34.5	0	0	0	111.1	P493 R495	P493-P582 WeakPolarHBondContact O-CD 3.33Å; R495-P582 HydrophobicContact CB-CG 4.03Å
583	F	93.3	Very high	87	Confident	45 Å²	45	60.3 Å²	60.3	20%	0.197	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-62.5	145	167.2	-75	-70.1	0	0	0	110.9	R495 W536 W570 V571 R572	R495-F583 PolarHBondContact NE-O 2.73Å; R495-F583 VanDerWaalsContact NE-O 3.11Å; W536-F583 HydrophobicContact CD2-CE1 4.21Å; W536-F583 HydrophobicContact CD2-CE2 4.44Å; W536-F583 AromaticContact CD2-CZ 3.65Å; W536-F583 HydrophobicContact CD2-CZ 3.65Å; W536-F583 AromaticContact CE2-CZ 3.57Å; W536-F583 HydrophobicContact CE3-CE2 4.2Å; W536-F583 AromaticContact CE3-CZ 3.84Å; W536-F583 HydrophobicContact CE3-CZ 3.84Å; W536-F583 HydrophobicContact CG-CE1 4.41Å; W536-F583 HydrophobicContact CG-CZ 4.28Å; W536-F583 AromaticContact CH2-CE2 3.92Å; W536-F583 HydrophobicContact CH2-CE2 3.92Å; W536-F583 AromaticContact CH2-CZ 3.93Å; W536-F583 HydrophobicContact CH2-CZ 3.93Å; W536-F583 HydrophobicContact CZ2-CE2 4.15Å; W536-F583 AromaticContact CZ2-CZ 3.73Å; W536-F583 HydrophobicContact CZ2-CZ 3.73Å; W536-F583 AromaticContact CZ3-CE2 3.94Å; W536-F583 HydrophobicContact CZ3-CE2 3.94Å; W536-F583 AromaticContact CZ3-CZ 3.97Å; W536-F583 HydrophobicContact CZ3-CZ 3.97Å; W570-F583 HydrophobicContact CB-CB 4.46Å; W570-F583 HydrophobicContact CB-CD1 3.5Å; W570-F583 VanDerWaalsContact CB-CD1 3.5Å; W570-F583 HydrophobicContact CB-CE1 3.84Å; W570-F583 HydrophobicContact CB-CG 4.07Å; W570-F583 HydrophobicContact CG-CD1 4.47Å; V571-F583 WeakPolarHBondContact O-CA 3.34Å; R572-F583 HydrophobicContact CB-CD1 3.66Å; R572-F583 HydrophobicContact CB-CE1 3.95Å; R572-F583 HydrophobicContact CB-CG 4.15Å; R572-F583 HydrophobicContact CG-CD1 3.86Å; R572-F583 HydrophobicContact CG-CE1 3.58Å; R572-F583 HydrophobicContact CG-CZ 4Å
584	A	91.1	Very high	86.7	Confident	5 Å²	5	63.7 Å²	63.7	4%	0.041	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-71.3	169.4	165	0	0	0	0	0	112	R495 V496 P499 V571 V586	R495-A584 VanDerWaalsContact CG-CA 3.46Å; R495-A584 HydrophobicContact CG-CB 3.8Å; V496-A584 HydrophobicContact CG2-CB 3.48Å; V496-A584 VanDerWaalsContact CG2-CB 3.48Å; P499-A584 HydrophobicContact CG-CB 3.99Å; V571-A584 PolarHBondContact O-N 3.26Å; A584-V586 PolarHBondContact O-N 2.9Å
585	D	89.1	Confident	86.6	Confident	106 Å²	106	66.7 Å²	66.7	57%	0.567	34%	0.335	S	S	*	.	P	Polyproline II helix	trans	-58.5	139.7	174.9	-56.1	-51.9	0	0	0	109.3	R495 L587	R495-D585 IonicContact CZ-OD1 2.98Å; R495-D585 IonicContact NH1-OD1 3.39Å; R495-D585 PolarHBondContact NH1-OD1 3.01Å; R495-D585 IonicContact NH1-OD2 2.57Å; R495-D585 PolarHBondContact NH1-OD2 3.12Å; R495-D585 IonicContact NH2-OD1 2.66Å; D585-L587 PolarHBondContact O-N 3.04Å
586	V	92.4	Very high	86.7	Confident	68 Å²	68	70.6 Å²	70.6	41%	0.412	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-61.3	131.5	-174.9	63.1	0	0	0	0	110.3	L568 W570 A584	L568-V586 HydrophobicContact CB-CG2 3.91Å; L568-V586 HydrophobicContact CD2-CG2 4.13Å; W570-V586 HydrophobicContact CD2-CG2 4.12Å; W570-V586 HydrophobicContact CH2-CG2 4.29Å; W570-V586 HydrophobicContact CZ2-CB 4.35Å; W570-V586 HydrophobicContact CZ2-CG2 3.64Å; A584-V586 PolarHBondContact O-N 2.9Å
587	L	92	Very high	87.6	Confident	26 Å²	26	70.1 Å²	70.1	14%	0.136	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	134.1	169.6	-63.9	178.7	0	0	0	109.9	P499 C501 V515 L568 V569 D585	P499-L587 HydrophobicContact CB-CD1 3.8Å; P499-L587 HydrophobicContact CB-CD2 4.07Å; P499-L587 HydrophobicContact CB-CG 3.98Å; P499-L587 HydrophobicContact CG-CD2 3.99Å; P499-L587 HydrophobicContact CG-CG 4.25Å; P499-L587 VanDerWaalsContact O-CD2 3.31Å; P499-L587 WeakPolarHBondContact O-CD2 3.05Å; C501-L587 HydrophobicContact CB-CD1 4.3Å; V515-L587 HydrophobicContact CG1-CD1 4.12Å; L568-L587 CarbonylContact C-O 3.51Å; L568-L587 WeakPolarHBondContact CA-O 3.49Å; V569-L587 HydrophobicContact CB-CB 4.18Å; V569-L587 PolarHBondContact N-O 3.48Å; V569-L587 PolarHBondContact O-N 2.59Å; D585-L587 PolarHBondContact O-N 3.04Å
588	M	93.9	Very high	89	Confident	139 Å²	139	64.9 Å²	64.9	69%	0.685	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.9	110.6	167.4	-64	-171.9	-66.1	0	0	108.4	Y567 L568	Y567-M588 WeakPolarHBondContact O-CA 3.41Å; L568-M588 HydrophobicContact CD2-CG 3.75Å
589	C	91.7	Very high	90.1	Very high	1 Å²	1	59.5 Å²	59.5	1%	0.007	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	117.3	-174.1	-54.7	0	0	0	0	109.5	C501 L513 Y567 V569	C501-C589 HydrophobicContact CB-CB 3.88Å; C501-C589 WeakPolarHBondContact CB-SG 3.33Å; C501-C589 VanDerWaalsContact SG-CA 3.52Å; C501-C589 WeakPolarHBondContact SG-CB 3.27Å; C501-C589 CovalentContact SG-SG 2.03Å; C501-C589 PolarHBondContact SG-SG 3.39Å; L513-C589 HydrophobicContact CD1-CB 3.5Å; L513-C589 VanDerWaalsContact CD1-CB 3.5Å; L513-C589 HydrophobicContact CD2-CB 4.44Å; Y567-C589 PolarHBondContact N-O 3.2Å; Y567-C589 PolarHBondContact O-N 2.75Å; V569-C589 HydrophobicContact CG2-CB 4.46Å
590	R	90.6	Very high	90.7	Very high	182 Å²	182	60.8 Å²	60.8	69%	0.687	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.1	113	-179.3	-172.4	175.5	-179.4	177	1.7	110	T503 T565	T503-R590 WeakPolarHBondContact CB-O 3.39Å; T503-R590 VanDerWaalsContact CG2-O 3.29Å; T503-R590 WeakPolarHBondContact CG2-O 3.01Å; T503-R590 PolarHBondContact OG1-O 3.24Å; T565-R590 WeakPolarHBondContact O-CA 3Å
591	T	84.8	Confident	90.9	Very high	10 Å²	10	59.6 Å²	59.6	6%	0.061	30%	0.3	C	S	.	.			trans	-83.9	0	172.4	50.6	0	0	0	0	112	T503 V505 A511 L513 I561 K562 F564 T565 Y567	T503-T591 HydrophobicContact CG2-CG2 3.62Å; V505-T591 WeakPolarHBondContact CG2-OXT 3.41Å; A511-T591 HydrophobicContact CB-CG2 4.29Å; L513-T591 HydrophobicContact CB-CG2 4.26Å; I561-T591 HydrophobicContact CG2-CG2 3.63Å; K562-T591 WeakPolarHBondContact O-CB 3.41Å; K562-T591 PolarHBondContact O-OG1 2.72Å; F564-T591 CarbonylContact C-O 3.59Å; F564-T591 WeakPolarHBondContact CA-O 2.9Å; F564-T591 PolarHBondContact N-O 2.98Å; F564-T591 PolarHBondContact N-OXT 3.15Å; T565-T591 PolarHBondContact N-O 2.9Å; T565-T591 PolarHBondContact N-OG1 3.13Å; T565-T591 PolarHBondContact O-N 2.86Å; T565-T591 PolarHBondContact O-OG1 3.15Å; Y567-T591 HydrophobicContact CD2-CG2 4.29Å; Y567-T591 HydrophobicContact CE2-CG2 4.3Å

Retrieved 591 of 591 residues in 479.7 ms (Link to these results)

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