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Cytochrome P450 1A

Cytochromes P450 are a group of heme-thiolate monooxygenases. They oxidize a variety of structurally unrelated compounds, including steroids, fatty acids, and xenobiotics.

AlphaFold DB , UniProt , Accession A0A087YBF1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 521 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	36.4	Very low	47.6	Very low	244 Å²	244	149.1 Å²	149.1	100%	1.202	85%	0.849	S	S	*	*				0	111.9	0	-155.1	170.3	66.3	0	0	107.1
2	A	40.9	Very low	48.9	Very low	97 Å²	97	147.1 Å²	147.1	80%	0.802	83%	0.833	S	S	*	*			trans	37.9	102	169.7	0	0	0	0	0	119.8
3	L	40.3	Very low	51.4	Low	175 Å²	175	139.2 Å²	139.2	92%	0.916	79%	0.793	S	S	*	*			trans	-93.1	116.6	150	-119.2	145.9	0	0	0	107.6
4	M	46.6	Very low	53.3	Low	176 Å²	176	138.3 Å²	138.3	87%	0.867	79%	0.791	S	S	*	*			trans	-56.6	131.9	178.6	-75.6	174.4	160.4	0	0	112
5	I	44.8	Very low	55.2	Low	158 Å²	158	134 Å²	134	81%	0.81	77%	0.773	S	S	*	*			trans	-107	111.9	161	-60.2	175.7	0	0	0	106.3
6	L	41.8	Very low	57.1	Low	156 Å²	156	132.1 Å²	132.1	82%	0.817	76%	0.755	S	S	*	*			trans	-68.4	122.8	170.3	-87.3	149	0	0	0	109.4	F8	L6-F8 PolarHBondContact O-N 2.63Å
7	P	51.7	Low	58.8	Low	116 Å²	116	126.6 Å²	126.6	75%	0.753	73%	0.734	S	S	*	*			trans	-92.8	83.5	176.8	35	-27.1	0	0	0	108.9
8	F	49.6	Very low	60.4	Low	195 Å²	195	125.6 Å²	125.6	86%	0.855	73%	0.725	S	S	*	*			trans	-142.7	7.8	173.7	-119.4	-82.3	0	0	0	115.9	L6	L6-F8 PolarHBondContact O-N 2.63Å
9	I	50.4	Low	62	Low	151 Å²	151	124.8 Å²	124.8	77%	0.774	72%	0.716	S	S	*	*			trans	-120.5	94	175	-50.9	176.6	0	0	0	107.1	L12	I9-L12 HydrophobicContact CG2-CD1 4.11Å
10	G	58.1	Low	63.3	Low	61 Å²	61	121.3 Å²	121.3	63%	0.629	70%	0.703	S	S	*	*			trans	-57	156	165.3	0	0	0	0	0	110.1	L12	G10-L12 PolarHBondContact O-N 2.96Å
11	A	62.7	Low	64.6	Low	111 Å²	111	120.8 Å²	120.8	92%	0.917	70%	0.697	S	S	*	*			trans	-57.6	99.6	179.1	0	0	0	0	0	110.2	S13	A11-S13 PolarHBondContact O-N 2.99Å
12	L	63.5	Low	67.3	Low	125 Å²	125	112.7 Å²	112.7	65%	0.654	66%	0.661	S	S	*	*			trans	-58.9	123.3	172.6	-82.9	154	0	0	0	108.2	I9 G10 E16	I9-L12 HydrophobicContact CG2-CD1 4.11Å; G10-L12 PolarHBondContact O-N 2.96Å; L12-E16 HydrophobicContact CD2-CB 4.11Å
13	S	81.1	Confident	69.6	Low	45 Å²	45	111.6 Å²	111.6	32%	0.315	65%	0.645	S	S	.	*			trans	-64.9	149.2	174.6	66.1	0	0	0	0	110	A11 S15 E16 G17	A11-S13 PolarHBondContact O-N 2.99Å; S13-S15 WeakPolarHBondContact CB-OG 3.42Å; S13-S15 PolarHBondContact O-N 3.43Å; S13-S15 VanDerWaalsContact O-N 3.12Å; S13-S15 PolarHBondContact OG-OG 2.89Å; S13-E16 WeakPolarHBondContact CB-OE2 3.38Å; S13-E16 PolarHBondContact N-OE2 3.23Å; S13-E16 PolarHBondContact O-N 3.45Å; S13-E16 WeakPolarHBondContact OG-CG 3.26Å; S13-E16 PolarHBondContact OG-N 3.27Å; S13-E16 PolarHBondContact OG-OE2 3.16Å; S13-G17 PolarHBondContact O-N 3.47Å; S13-G17 VanDerWaalsContact O-N 3.13Å
14	V	78.8	Confident	72	Confident	126 Å²	126	108 Å²	108	76%	0.764	63%	0.63	S	S	*	*	H	α-helix	trans	-54.1	-34.5	176.3	177.7	0	0	0	0	111	L18	V14-L18 WeakPolarHBondContact O-CB 3.31Å; V14-L18 PolarHBondContact O-N 3.37Å
15	S	81.2	Confident	74	Confident	74 Å²	74	102.4 Å²	102.4	52%	0.517	61%	0.607	S	S	.	*	H	α-helix	trans	-62.5	-44.7	174.3	34.8	0	0	0	0	113.8	S13 L18 I19	S13-S15 WeakPolarHBondContact CB-OG 3.42Å; S13-S15 PolarHBondContact O-N 3.43Å; S13-S15 VanDerWaalsContact O-N 3.12Å; S13-S15 PolarHBondContact OG-OG 2.89Å; S15-L18 PolarHBondContact O-N 2.97Å; S15-I19 VanDerWaalsContact O-CG1 3.3Å; S15-I19 WeakPolarHBondContact O-CG1 3.45Å; S15-I19 PolarHBondContact O-N 3.4Å
16	E	85.6	Confident	76.1	Confident	103 Å²	103	99.9 Å²	99.9	48%	0.481	60%	0.595	S	S	.	*	H	α-helix	trans	-67.6	-39.7	179.2	-72.6	159.6	151.6	0	0	111.4	L12 S13 L18 I19 A20	L12-E16 HydrophobicContact CD2-CB 4.11Å; S13-E16 WeakPolarHBondContact CB-OE2 3.38Å; S13-E16 PolarHBondContact N-OE2 3.23Å; S13-E16 PolarHBondContact O-N 3.45Å; S13-E16 WeakPolarHBondContact OG-CG 3.26Å; S13-E16 PolarHBondContact OG-N 3.27Å; S13-E16 PolarHBondContact OG-OE2 3.16Å; E16-L18 VanDerWaalsContact C-N 3.35Å; E16-L18 PolarHBondContact O-N 3.2Å; E16-I19 PolarHBondContact O-N 3.41Å; E16-A20 WeakPolarHBondContact O-CB 3.31Å; E16-A20 PolarHBondContact O-N 2.86Å
17	G	86.3	Confident	78.3	Confident	39 Å²	39	95.9 Å²	95.9	40%	0.402	58%	0.577	S	S	.	*	H	α-helix	trans	-62	-40.8	173.8	0	0	0	0	0	112.7	S13 L21	S13-G17 PolarHBondContact O-N 3.47Å; S13-G17 VanDerWaalsContact O-N 3.13Å; G17-L21 WeakPolarHBondContact O-CB 3.11Å; G17-L21 PolarHBondContact O-N 2.75Å
18	L	87.4	Confident	79.8	Confident	108 Å²	108	97.2 Å²	97.2	57%	0.565	57%	0.568	S	S	*	*	H	α-helix	trans	-68	-42.1	178.6	-132.7	122.7	0	0	0	111.9	V14 S15 E16 L21 V22	V14-L18 WeakPolarHBondContact O-CB 3.31Å; V14-L18 PolarHBondContact O-N 3.37Å; S15-L18 PolarHBondContact O-N 2.97Å; E16-L18 VanDerWaalsContact C-N 3.35Å; E16-L18 PolarHBondContact O-N 3.2Å; L18-L21 PolarHBondContact O-N 3.45Å; L18-V22 WeakPolarHBondContact O-CB 3.34Å; L18-V22 VanDerWaalsContact O-CG2 3.28Å; L18-V22 WeakPolarHBondContact O-CG2 3.49Å; L18-V22 PolarHBondContact O-N 2.79Å
19	I	91	Very high	81.3	Confident	111 Å²	111	92.8 Å²	92.8	57%	0.569	55%	0.552	S	S	*	*	H	α-helix	trans	-61.9	-48.8	175.9	-68.9	166	0	0	0	110	S15 E16 L21 V22 T23	S15-I19 VanDerWaalsContact O-CG1 3.3Å; S15-I19 WeakPolarHBondContact O-CG1 3.45Å; S15-I19 PolarHBondContact O-N 3.4Å; E16-I19 PolarHBondContact O-N 3.41Å; I19-L21 VanDerWaalsContact C-N 3.34Å; I19-L21 PolarHBondContact O-N 3.41Å; I19-V22 PolarHBondContact O-N 2.74Å; I19-T23 WeakPolarHBondContact O-CB 3.24Å; I19-T23 PolarHBondContact O-N 2.58Å; I19-T23 PolarHBondContact O-OG1 3.17Å
20	A	88.3	Confident	82.6	Confident	54 Å²	54	88.6 Å²	88.6	45%	0.446	53%	0.534	S	S	.	.	H	α-helix	trans	-59.2	-43.5	178.6	0	0	0	0	0	112.2	E16 T23 V24	E16-A20 WeakPolarHBondContact O-CB 3.31Å; E16-A20 PolarHBondContact O-N 2.86Å; A20-T23 PolarHBondContact O-N 3.14Å; A20-V24 WeakPolarHBondContact O-CB 3.44Å; A20-V24 VanDerWaalsContact O-CG2 3.29Å; A20-V24 WeakPolarHBondContact O-CG2 3.37Å; A20-V24 PolarHBondContact O-N 3Å
21	L	90.6	Very high	83.4	Confident	112 Å²	112	90.7 Å²	90.7	59%	0.586	53%	0.531	S	S	*	.	H	α-helix	trans	-63.4	-45.1	177.1	-174.1	71.8	0	0	0	111.8	G17 L18 I19 T23 V24 C25	G17-L21 WeakPolarHBondContact O-CB 3.11Å; G17-L21 PolarHBondContact O-N 2.75Å; L18-L21 PolarHBondContact O-N 3.45Å; I19-L21 VanDerWaalsContact C-N 3.34Å; I19-L21 PolarHBondContact O-N 3.41Å; L21-T23 VanDerWaalsContact C-N 3.34Å; L21-T23 PolarHBondContact O-N 3.1Å; L21-V24 PolarHBondContact O-N 2.98Å; L21-C25 WeakPolarHBondContact O-CB 3.48Å; L21-C25 PolarHBondContact O-N 2.93Å; L21-C25 PolarHBondContact O-SG 2.71Å; L21-C25 VanDerWaalsContact O-SG 3.37Å
22	V	91.9	Very high	83.7	Confident	74 Å²	74	91.5 Å²	91.5	45%	0.448	51%	0.513	S	S	.	.	H	α-helix	trans	-63.4	-41.3	177.3	169.9	0	0	0	0	110.7	L18 I19 C25 L26	L18-V22 WeakPolarHBondContact O-CB 3.34Å; L18-V22 VanDerWaalsContact O-CG2 3.28Å; L18-V22 WeakPolarHBondContact O-CG2 3.49Å; L18-V22 PolarHBondContact O-N 2.79Å; I19-V22 PolarHBondContact O-N 2.74Å; V22-C25 PolarHBondContact O-N 3.34Å; V22-L26 HydrophobicContact CG1-CD1 3.82Å; V22-L26 VanDerWaalsContact O-CB 3.3Å; V22-L26 WeakPolarHBondContact O-CB 3.47Å; V22-L26 WeakPolarHBondContact O-CG 3.46Å; V22-L26 PolarHBondContact O-N 2.9Å
23	T	90.8	Very high	83.8	Confident	74 Å²	74	93.5 Å²	93.5	45%	0.454	52%	0.519	S	S	.	.	H	α-helix	trans	-63	-45.9	174.7	-55.3	0	0	0	0	111.4	I19 A20 L21 C25 L26 V27	I19-T23 WeakPolarHBondContact O-CB 3.24Å; I19-T23 PolarHBondContact O-N 2.58Å; I19-T23 PolarHBondContact O-OG1 3.17Å; A20-T23 PolarHBondContact O-N 3.14Å; L21-T23 VanDerWaalsContact C-N 3.34Å; L21-T23 PolarHBondContact O-N 3.1Å; T23-C25 PolarHBondContact O-N 3.24Å; T23-L26 PolarHBondContact O-N 3.11Å; T23-V27 HydrophobicContact CG2-CG2 4.36Å; T23-V27 WeakPolarHBondContact O-CB 3.46Å; T23-V27 WeakPolarHBondContact O-CG2 3.48Å; T23-V27 PolarHBondContact O-N 2.97Å
24	V	90.1	Very high	83.1	Confident	98 Å²	98	99.3 Å²	99.3	59%	0.594	54%	0.539	S	S	*	.	H	α-helix	trans	-63.2	-42.2	177.1	170.6	0	0	0	0	111.3	A20 L21 V27 Y28	A20-V24 WeakPolarHBondContact O-CB 3.44Å; A20-V24 VanDerWaalsContact O-CG2 3.29Å; A20-V24 WeakPolarHBondContact O-CG2 3.37Å; A20-V24 PolarHBondContact O-N 3Å; L21-V24 PolarHBondContact O-N 2.98Å; V24-V27 PolarHBondContact O-N 2.98Å; V24-Y28 VanDerWaalsContact O-CB 3.24Å; V24-Y28 WeakPolarHBondContact O-CB 3.42Å; V24-Y28 PolarHBondContact O-N 3.43Å
25	C	87.7	Confident	82.6	Confident	59 Å²	59	103 Å²	103	40%	0.399	54%	0.539	S	S	.	.	H	α-helix	trans	-64.9	-42.9	175.5	-76.3	0	0	0	0	111.9	L21 V22 T23 Y28 L29	L21-C25 WeakPolarHBondContact O-CB 3.48Å; L21-C25 PolarHBondContact O-N 2.93Å; L21-C25 PolarHBondContact O-SG 2.71Å; L21-C25 VanDerWaalsContact O-SG 3.37Å; V22-C25 PolarHBondContact O-N 3.34Å; T23-C25 PolarHBondContact O-N 3.24Å; C25-Y28 PolarHBondContact O-N 3Å; C25-L29 VanDerWaalsContact O-CB 3.27Å; C25-L29 WeakPolarHBondContact O-CB 3.48Å; C25-L29 WeakPolarHBondContact O-CG 3.27Å; C25-L29 PolarHBondContact O-N 3.32Å
26	L	90.3	Very high	82.1	Confident	105 Å²	105	107.4 Å²	107.4	55%	0.55	55%	0.545	S	S	.	.	H	α-helix	trans	-62.4	-44.9	175.2	-88.8	161.9	0	0	0	111.2	V22 T23 L29 T30	V22-L26 HydrophobicContact CG1-CD1 3.82Å; V22-L26 VanDerWaalsContact O-CB 3.3Å; V22-L26 WeakPolarHBondContact O-CB 3.47Å; V22-L26 WeakPolarHBondContact O-CG 3.46Å; V22-L26 PolarHBondContact O-N 2.9Å; T23-L26 PolarHBondContact O-N 3.11Å; L26-L29 PolarHBondContact O-N 3.07Å; L26-T30 WeakPolarHBondContact O-CB 3.34Å; L26-T30 PolarHBondContact O-N 2.75Å; L26-T30 PolarHBondContact O-OG1 3.46Å
27	V	86.8	Confident	81.8	Confident	73 Å²	73	111.2 Å²	111.2	44%	0.442	56%	0.562	S	S	.	*	H	α-helix	trans	-63.1	-44.3	175.6	170.7	0	0	0	0	110.5	T23 V24 T30 L31	T23-V27 HydrophobicContact CG2-CG2 4.36Å; T23-V27 WeakPolarHBondContact O-CB 3.46Å; T23-V27 WeakPolarHBondContact O-CG2 3.48Å; T23-V27 PolarHBondContact O-N 2.97Å; V24-V27 PolarHBondContact O-N 2.98Å; V27-T30 VanDerWaalsContact CA-OG1 3.31Å; V27-T30 WeakPolarHBondContact CA-OG1 3.22Å; V27-T30 PolarHBondContact O-N 2.92Å; V27-T30 PolarHBondContact O-OG1 3.33Å; V27-T30 VanDerWaalsContact O-OG1 3.06Å; V27-L31 HydrophobicContact CG1-CD1 3.79Å; V27-L31 HydrophobicContact CG1-CG 4.27Å; V27-L31 VanDerWaalsContact O-CB 3.26Å; V27-L31 WeakPolarHBondContact O-CB 3.49Å; V27-L31 WeakPolarHBondContact O-CG 3.36Å; V27-L31 PolarHBondContact O-N 2.99Å
28	Y	84	Confident	81.9	Confident	144 Å²	144	112.5 Å²	112.5	57%	0.565	56%	0.559	S	S	*	*	H	α-helix	trans	-64.7	-44.2	177.2	175.4	-101.8	0	0	0	112.2	V24 C25 L31 K32	V24-Y28 VanDerWaalsContact O-CB 3.24Å; V24-Y28 WeakPolarHBondContact O-CB 3.42Å; V24-Y28 PolarHBondContact O-N 3.43Å; C25-Y28 PolarHBondContact O-N 3Å; Y28-L31 PolarHBondContact O-N 3.4Å; Y28-K32 HydrophobicContact CE1-CD 4.29Å; Y28-K32 VanDerWaalsContact O-CB 3.23Å; Y28-K32 WeakPolarHBondContact O-CB 3.41Å; Y28-K32 PolarHBondContact O-N 3.42Å
29	L	81.5	Confident	82	Confident	101 Å²	101	110.1 Å²	110.1	53%	0.529	55%	0.551	S	S	.	*	H	α-helix	trans	-66.9	-40.9	178.2	-72.6	172.7	0	0	0	111.5	C25 L26 K32 Q33	C25-L29 VanDerWaalsContact O-CB 3.27Å; C25-L29 WeakPolarHBondContact O-CB 3.48Å; C25-L29 WeakPolarHBondContact O-CG 3.27Å; C25-L29 PolarHBondContact O-N 3.32Å; L26-L29 PolarHBondContact O-N 3.07Å; L29-K32 PolarHBondContact O-N 2.93Å; L29-Q33 VanDerWaalsContact O-CB 3.22Å; L29-Q33 WeakPolarHBondContact O-CB 3.34Å; L29-Q33 PolarHBondContact O-N 2.95Å
30	T	77.3	Confident	81.8	Confident	64 Å²	64	114.4 Å²	114.4	39%	0.393	57%	0.568	S	S	.	*	H	α-helix	trans	-63.3	-49.4	171.8	33.5	0	0	0	0	110.9	L26 V27 K32 Q33 F34	L26-T30 WeakPolarHBondContact O-CB 3.34Å; L26-T30 PolarHBondContact O-N 2.75Å; L26-T30 PolarHBondContact O-OG1 3.46Å; V27-T30 VanDerWaalsContact CA-OG1 3.31Å; V27-T30 WeakPolarHBondContact CA-OG1 3.22Å; V27-T30 PolarHBondContact O-N 2.92Å; V27-T30 PolarHBondContact O-OG1 3.33Å; V27-T30 VanDerWaalsContact O-OG1 3.06Å; T30-K32 VanDerWaalsContact C-N 3.27Å; T30-K32 PolarHBondContact O-N 2.86Å; T30-Q33 CarbonylContact O-C 3.59Å; T30-Q33 PolarHBondContact O-N 3.25Å; T30-Q33 VanDerWaalsContact O-N 3.11Å; T30-F34 HydrophobicContact CG2-CE2 4.17Å; T30-F34 WeakPolarHBondContact O-CB 3.21Å; T30-F34 WeakPolarHBondContact O-CD2 3.26Å; T30-F34 PolarHBondContact O-N 3.07Å
31	L	75	Confident	81.9	Confident	105 Å²	105	115.8 Å²	115.8	55%	0.55	59%	0.587	S	S	.	*	H	α-helix	trans	-58.6	-38	176.6	-72.4	173.5	0	0	0	112.6	V27 Y28 R35	V27-L31 HydrophobicContact CG1-CD1 3.79Å; V27-L31 HydrophobicContact CG1-CG 4.27Å; V27-L31 VanDerWaalsContact O-CB 3.26Å; V27-L31 WeakPolarHBondContact O-CB 3.49Å; V27-L31 WeakPolarHBondContact O-CG 3.36Å; V27-L31 PolarHBondContact O-N 2.99Å; Y28-L31 PolarHBondContact O-N 3.4Å; L31-R35 WeakPolarHBondContact O-CG 3.49Å; L31-R35 PolarHBondContact O-N 3.27Å; L31-R35 VanDerWaalsContact O-N 3.08Å
32	K	69.3	Low	82.1	Confident	127 Å²	127	112.8 Å²	112.8	55%	0.552	57%	0.571	S	S	*	*	H	α-helix	trans	-69.3	-39.9	175.5	-172.1	179.4	177.6	-174	0	111.5	Y28 L29 T30 F34 R35	Y28-K32 HydrophobicContact CE1-CD 4.29Å; Y28-K32 VanDerWaalsContact O-CB 3.23Å; Y28-K32 WeakPolarHBondContact O-CB 3.41Å; Y28-K32 PolarHBondContact O-N 3.42Å; L29-K32 PolarHBondContact O-N 2.93Å; T30-K32 VanDerWaalsContact C-N 3.27Å; T30-K32 PolarHBondContact O-N 2.86Å; K32-F34 VanDerWaalsContact C-N 3.32Å; K32-R35 PolarHBondContact O-N 2.82Å
33	Q	65.8	Low	82.2	Confident	167 Å²	167	115.8 Å²	115.8	78%	0.78	58%	0.575	S	S	*	*	H	α-helix	trans	-71.5	-27.3	177.4	-170.3	157	8	0	0	112.6	L29 T30	L29-Q33 VanDerWaalsContact O-CB 3.22Å; L29-Q33 WeakPolarHBondContact O-CB 3.34Å; L29-Q33 PolarHBondContact O-N 2.95Å; T30-Q33 CarbonylContact O-C 3.59Å; T30-Q33 PolarHBondContact O-N 3.25Å; T30-Q33 VanDerWaalsContact O-N 3.11Å
34	F	66.1	Low	82.3	Confident	167 Å²	167	119.2 Å²	119.2	73%	0.732	59%	0.586	S	S	*	*	H	α-helix	trans	-81.9	-15.8	171.5	-72.1	-63.8	0	0	0	113.4	T30 K32 R36	T30-F34 HydrophobicContact CG2-CE2 4.17Å; T30-F34 WeakPolarHBondContact O-CB 3.21Å; T30-F34 WeakPolarHBondContact O-CD2 3.26Å; T30-F34 PolarHBondContact O-N 3.07Å; K32-F34 VanDerWaalsContact C-N 3.32Å; F34-R36 PolarHBondContact O-N 2.89Å
35	R	67.3	Low	82.6	Confident	204 Å²	204	115.3 Å²	115.3	77%	0.77	56%	0.561	S	S	*	*	S	Bend	trans	-76.1	107	169.4	-81.1	-176.2	-175.2	-163.4	1.9	109	L31 K32 E37	L31-R35 WeakPolarHBondContact O-CG 3.49Å; L31-R35 PolarHBondContact O-N 3.27Å; L31-R35 VanDerWaalsContact O-N 3.08Å; K32-R35 PolarHBondContact O-N 2.82Å; R35-E37 PolarHBondContact O-N 3.16Å
36	R	70.9	Confident	83	Confident	167 Å²	167	114.1 Å²	114.1	63%	0.63	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-65	132.4	172.7	-69.5	-173	174.8	-176.1	-2.6	109.8	F34 I38	F34-R36 PolarHBondContact O-N 2.89Å; R36-I38 PolarHBondContact O-N 3.37Å
37	E	79.9	Confident	83.3	Confident	182 Å²	182	110.6 Å²	110.6	85%	0.85	54%	0.542	S	S	*	.	P	Polyproline II helix	trans	-64.9	130.1	172.2	-70.9	-175.3	168.6	0	0	109.4	R35	R35-E37 PolarHBondContact O-N 3.16Å
38	I	87.8	Confident	83.7	Confident	66 Å²	66	107.9 Å²	107.9	34%	0.338	53%	0.526	S	S	.	.	P	Polyproline II helix	trans	-90	126.4	176.5	-60.1	176.2	0	0	0	106.6	R36 L42 Q44 F405	R36-I38 PolarHBondContact O-N 3.37Å; I38-L42 HydrophobicContact CG2-CB 3.96Å; I38-L42 WeakPolarHBondContact CG2-O 3.37Å; I38-Q44 HydrophobicContact CD1-CB 3.51Å; I38-Q44 HydrophobicContact CD1-CG 3.99Å; I38-F405 HydrophobicContact CG2-CB 4.05Å
39	P	89.4	Confident	84.1	Confident	59 Å²	59	106.3 Å²	106.3	38%	0.383	54%	0.536	S	S	.	.	P	Polyproline II helix	trans	-55.4	145.1	177.3	-25.3	33.9	0	0	0	112.2	G41 L42 F405	P39-G41 PolarHBondContact O-N 3.29Å; P39-L42 HydrophobicContact CB-CD1 4.15Å; P39-L42 HydrophobicContact CG-CD1 4.22Å; P39-L42 PolarHBondContact O-N 3.37Å; P39-L42 VanDerWaalsContact O-N 3.1Å; P39-F405 HydrophobicContact CG-CD2 3.93Å; P39-F405 HydrophobicContact CG-CE2 3.87Å; P39-F405 HydrophobicContact CG-CG 4.38Å; P39-F405 HydrophobicContact CG-CZ 4.27Å
40	E	87.7	Confident	84.5	Confident	201 Å²	201	103.3 Å²	103.3	94%	0.939	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	135.2	178.4	-70.4	-173.8	171.6	0	0	111.4	L42	E40-L42 VanDerWaalsContact C-N 3.32Å; E40-L42 PolarHBondContact O-N 3.24Å
41	G	89.7	Confident	85.1	Confident	82 Å²	82	105.4 Å²	105.4	85%	0.845	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.3	-7	-178	0	0	0	0	0	115.4	P39	P39-G41 PolarHBondContact O-N 3.29Å
42	L	94.3	Very high	85.6	Confident	49 Å²	49	105.9 Å²	105.9	26%	0.257	54%	0.542	S	S	.	.			trans	-103.3	155.1	174.2	-62	-179	0	0	0	112.4	I38 P39 E40 F405	I38-L42 HydrophobicContact CG2-CB 3.96Å; I38-L42 WeakPolarHBondContact CG2-O 3.37Å; P39-L42 HydrophobicContact CB-CD1 4.15Å; P39-L42 HydrophobicContact CG-CD1 4.22Å; P39-L42 PolarHBondContact O-N 3.37Å; P39-L42 VanDerWaalsContact O-N 3.1Å; E40-L42 VanDerWaalsContact C-N 3.32Å; E40-L42 PolarHBondContact O-N 3.24Å; L42-F405 HydrophobicContact CB-CB 4.05Å; L42-F405 HydrophobicContact CD1-CB 3.89Å; L42-F405 HydrophobicContact CD1-CD2 3.86Å; L42-F405 HydrophobicContact CD1-CG 4.29Å
43	R	94.1	Very high	86.2	Confident	138 Å²	138	105.9 Å²	105.9	52%	0.521	55%	0.547	S	S	.	.	B	Isolated β-bridge	trans	-106.2	154.3	179.9	-63.1	177.4	-66.1	179.6	0.8	111.5	N402 G403 Y404 F405	R43-N402 PolarHBondContact NH2-O 3.44Å; R43-N402 VanDerWaalsContact NH2-O 3.08Å; R43-G403 PolarHBondContact N-O 3.44Å; R43-Y404 HydrophobicContact CB-CD1 3.75Å; R43-Y404 HydrophobicContact CB-CE1 3.92Å; R43-Y404 WeakPolarHBondContact O-CA 3.3Å; R43-F405 PolarHBondContact O-N 2.85Å
44	Q	93.2	Very high	87.4	Confident	145 Å²	145	100.9 Å²	100.9	68%	0.678	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-69.1	145.2	167	-165	172.1	1.6	0	0	110.2	I38 Y404	I38-Q44 HydrophobicContact CD1-CB 3.51Å; I38-Q44 HydrophobicContact CD1-CG 3.99Å; Q44-Y404 VanDerWaalsContact O-CD1 3.24Å; Q44-Y404 WeakPolarHBondContact O-CD1 3.42Å; Q44-Y404 WeakPolarHBondContact O-CE1 3.35Å
45	L	95.8	Very high	88.7	Confident	16 Å²	16	93 Å²	93	8%	0.084	49%	0.49	C	S	.	.	P	Polyproline II helix	trans	-62.1	130.7	173.7	-69.4	155.8	0	0	0	110.5	V78 Q80 V89 Y404 I406	L45-V78 HydrophobicContact CD2-CG1 3.54Å; L45-Q80 HydrophobicContact CB-CB 3.8Å; L45-Q80 HydrophobicContact CD1-CB 4.21Å; L45-V89 HydrophobicContact CD1-CG2 3.59Å; L45-V89 HydrophobicContact CD2-CG2 4.49Å; L45-Y404 HydrophobicContact CD2-CG 4.14Å; L45-I406 HydrophobicContact CD1-CG1 4.31Å; L45-I406 HydrophobicContact CD2-CG1 4.31Å
46	P	97.1	Very high	90	Very high	35 Å²	35	83.3 Å²	83.3	23%	0.227	45%	0.454	C	S	.	.	P	Polyproline II helix	trans	-69.8	159.3	171.2	32	-35	0	0	0	109.9	F75 V78 F79 Q80 Y404	P46-F75 HydrophobicContact CB-CB 4.41Å; P46-F75 HydrophobicContact CB-CD1 4.35Å; P46-F75 HydrophobicContact CG-CB 4.48Å; P46-F75 WeakPolarHBondContact CG-O 3.46Å; P46-V78 WeakPolarHBondContact CD-O 3.36Å; P46-V78 WeakPolarHBondContact CG-O 3.27Å; P46-F79 HydrophobicContact CG-CB 4.23Å; P46-F79 CarbonylContact O-C 3.44Å; P46-F79 VanDerWaalsContact O-CA 3.27Å; P46-F79 WeakPolarHBondContact O-CA 3.33Å; P46-F79 WeakPolarHBondContact O-CB 3.4Å; P46-Q80 PolarHBondContact O-N 3.06Å; P46-Y404 HydrophobicContact CG-CE1 4.45Å
47	G	96.1	Very high	91.1	Very high	30 Å²	30	76.9 Å²	76.9	31%	0.309	43%	0.432	S	S	.	.			trans	173.9	163.8	177.9	0	0	0	0	0	113.8	F75 Q80	G47-F75 VanDerWaalsContact C-CZ 3.46Å; G47-F75 WeakPolarHBondContact O-CE1 3.4Å; G47-Q80 VanDerWaalsContact CA-O 3.25Å; G47-Q80 WeakPolarHBondContact CA-O 3.38Å
48	P	95.1	Very high	91.7	Very high	16 Å²	16	73.8 Å²	73.8	10%	0.104	42%	0.42	C	S	.	.	P	Polyproline II helix	trans	-69	151	172.7	29	-32.1	0	0	0	111.2	G50 N56 E59 M71 F75 I81	P48-G50 PolarHBondContact O-N 3.04Å; P48-N56 WeakPolarHBondContact CG-ND2 3.23Å; P48-E59 WeakPolarHBondContact CB-OE2 3.13Å; P48-E59 WeakPolarHBondContact CG-OE2 3.42Å; P48-M71 HydrophobicContact CG-CE 4.46Å; P48-M71 HydrophobicContact CG-SD 4.15Å; P48-F75 HydrophobicContact CB-CE2 3.98Å; P48-F75 HydrophobicContact CB-CZ 3.79Å; P48-F75 HydrophobicContact CG-CE2 4.07Å; P48-F75 HydrophobicContact CG-CZ 4.28Å; P48-I81 HydrophobicContact CG-CG2 4.04Å
49	S	92.1	Very high	91.9	Very high	112 Å²	112	74.2 Å²	74.2	78%	0.783	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-72.2	120.2	172	-55.4	0	0	0	0	109.7
50	G	90.6	Very high	92.1	Very high	37 Å²	37	71.7 Å²	71.7	38%	0.381	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-82.5	151.9	176.6	0	0	0	0	0	113	P48	P48-G50 PolarHBondContact O-N 3.04Å
51	F	90.8	Very high	92.4	Very high	109 Å²	109	64.4 Å²	64.4	48%	0.478	38%	0.382	S	S	.	.	B	Isolated β-bridge	trans	-66.8	152.5	170.1	-70.1	-81	0	0	0	111.2	I53 I54 G55 I58	F51-I53 PolarHBondContact O-N 2.96Å; F51-I54 HydrophobicContact CB-CD1 4.22Å; F51-I54 HydrophobicContact CB-CG1 3.76Å; F51-G55 PolarHBondContact N-O 3.03Å; F51-G55 WeakPolarHBondContact O-CA 3.49Å; F51-G55 PolarHBondContact O-N 3.03Å; F51-I58 HydrophobicContact CD2-CD1 4.26Å; F51-I58 HydrophobicContact CE2-CD1 4.13Å
52	P	84.9	Confident	92.6	Very high	114 Å²	114	65.2 Å²	65.2	74%	0.74	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	138.8	170.2	-23.4	33.6	0	0	0	111	I54	P52-I54 PolarHBondContact O-N 3.27Å
53	I	82.6	Confident	92.7	Very high	128 Å²	128	66.4 Å²	66.4	66%	0.656	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	70	-47.4	176.2	-54	170.8	0	0	0	115.3	F51 G84	F51-I53 PolarHBondContact O-N 2.96Å; I53-G84 CarbonylContact O-C 3.48Å; I53-G84 WeakPolarHBondContact O-CA 3.36Å
54	I	89.8	Confident	92.8	Very high	62 Å²	62	60.1 Å²	60.1	32%	0.318	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-15.4	-174.4	64.8	175.4	0	0	0	113.9	F51 P52 L57 I58 G84	F51-I54 HydrophobicContact CB-CD1 4.22Å; F51-I54 HydrophobicContact CB-CG1 3.76Å; P52-I54 PolarHBondContact O-N 3.27Å; I54-L57 HydrophobicContact CB-CD1 4.35Å; I54-L57 WeakPolarHBondContact O-CD1 3.14Å; I54-L57 WeakPolarHBondContact O-CG 3.4Å; I54-I58 HydrophobicContact CD1-CD1 3.79Å; I54-I58 HydrophobicContact CD1-CG1 4.1Å; I54-G84 PolarHBondContact O-N 3.29Å; I54-G84 VanDerWaalsContact O-N 3.16Å
55	G	93.8	Very high	93	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	33%	0.325	C	S	.	.	B	Isolated β-bridge	trans	65.8	-132.6	-179.1	0	0	0	0	0	112.6	F51 Q82	F51-G55 PolarHBondContact N-O 3.03Å; F51-G55 WeakPolarHBondContact O-CA 3.49Å; F51-G55 PolarHBondContact O-N 3.03Å; G55-Q82 CarbonylContact C-O 3.5Å; G55-Q82 WeakPolarHBondContact CA-O 3.4Å
56	N	95.5	Very high	93.1	Very high	1 Å²	1	55.6 Å²	55.6	1%	0.005	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	18.4	-177.2	-56.1	98.9	0	0	0	112.9	P48 I58 E59 L60 I81 Q82	P48-N56 WeakPolarHBondContact CG-ND2 3.23Å; N56-I58 VanDerWaalsContact C-N 3.26Å; N56-I58 PolarHBondContact O-N 3.39Å; N56-E59 HydrophobicContact CB-CB 4.44Å; N56-E59 PolarHBondContact ND2-OE2 2.96Å; N56-E59 WeakPolarHBondContact O-CB 3.36Å; N56-E59 PolarHBondContact O-N 2.85Å; N56-L60 PolarHBondContact O-N 2.93Å; N56-I81 HydrophobicContact CB-CB 4.32Å; N56-Q82 PolarHBondContact N-O 2.76Å; N56-Q82 PolarHBondContact OD1-N 2.87Å; N56-Q82 PolarHBondContact OD1-O 3.02Å
57	L	92.3	Very high	93.2	Very high	33 Å²	33	55 Å²	55	17%	0.173	33%	0.332	C	S	.	.	H	α-helix	trans	-56	-37.6	-178.5	-87.4	171.7	0	0	0	113.9	I54 E59 L60 G61 I83 P238 I242	I54-L57 HydrophobicContact CB-CD1 4.35Å; I54-L57 WeakPolarHBondContact O-CD1 3.14Å; I54-L57 WeakPolarHBondContact O-CG 3.4Å; L57-E59 VanDerWaalsContact C-N 3.34Å; L57-L60 HydrophobicContact CD2-CD1 4.42Å; L57-L60 PolarHBondContact O-N 2.95Å; L57-G61 PolarHBondContact O-N 2.9Å; L57-I83 HydrophobicContact CD1-CG2 4.25Å; L57-I83 HydrophobicContact CD2-CG2 3.56Å; L57-I83 HydrophobicContact CG-CG2 3.78Å; L57-P238 HydrophobicContact CD2-CB 4.44Å; L57-P238 HydrophobicContact CD2-CG 4.09Å; L57-I242 HydrophobicContact CD1-CD1 3.32Å; L57-I242 HydrophobicContact CD1-CG1 4.24Å
58	I	92.7	Very high	93.3	Very high	117 Å²	117	53.6 Å²	53.6	60%	0.6	32%	0.318	S	S	*	.	H	α-helix	trans	-66.4	-40.1	177.6	-60	175.2	0	0	0	110.4	F51 I54 N56 G61	F51-I58 HydrophobicContact CD2-CD1 4.26Å; F51-I58 HydrophobicContact CE2-CD1 4.13Å; I54-I58 HydrophobicContact CD1-CD1 3.79Å; I54-I58 HydrophobicContact CD1-CG1 4.1Å; N56-I58 VanDerWaalsContact C-N 3.26Å; N56-I58 PolarHBondContact O-N 3.39Å; I58-G61 PolarHBondContact O-N 2.79Å
59	E	93.6	Very high	93.5	Very high	74 Å²	74	53.3 Å²	53.3	35%	0.346	32%	0.315	S	S	.	.	H	α-helix	trans	-71.5	-30.9	179.4	-56.7	177.4	167.9	0	0	112.2	P48 N56 L57 S67 M71	P48-E59 WeakPolarHBondContact CB-OE2 3.13Å; P48-E59 WeakPolarHBondContact CG-OE2 3.42Å; N56-E59 HydrophobicContact CB-CB 4.44Å; N56-E59 PolarHBondContact ND2-OE2 2.96Å; N56-E59 WeakPolarHBondContact O-CB 3.36Å; N56-E59 PolarHBondContact O-N 2.85Å; L57-E59 VanDerWaalsContact C-N 3.34Å; E59-S67 VanDerWaalsContact O-CB 3.25Å; E59-S67 WeakPolarHBondContact O-CB 3.27Å; E59-M71 HydrophobicContact CB-CE 3.43Å; E59-M71 VanDerWaalsContact CB-CE 3.43Å; E59-M71 HydrophobicContact CG-CE 4.43Å; E59-M71 WeakPolarHBondContact OE2-CE 3.23Å
60	L	93.4	Very high	93.7	Very high	6 Å²	6	53.1 Å²	53.1	3%	0.031	30%	0.302	C	S	.	.	H	α-helix	trans	-64	-43.2	174.1	-77.7	175.9	0	0	0	112	N56 L57 P64 S67 L68 I81 I83	N56-L60 PolarHBondContact O-N 2.93Å; L57-L60 HydrophobicContact CD2-CD1 4.42Å; L57-L60 PolarHBondContact O-N 2.95Å; L60-P64 HydrophobicContact CD2-CB 4.27Å; L60-S67 WeakPolarHBondContact CA-OG 3.46Å; L60-S67 PolarHBondContact O-OG 3.32Å; L60-L68 HydrophobicContact CD2-CD1 3.98Å; L60-L68 HydrophobicContact CD2-CD2 3.6Å; L60-L68 HydrophobicContact CD2-CG 3.68Å; L60-I81 HydrophobicContact CD1-CD1 3.95Å; L60-I81 HydrophobicContact CD2-CD1 3.87Å; L60-I81 HydrophobicContact CG-CD1 4.21Å; L60-I83 HydrophobicContact CD1-CD1 3.64Å; L60-I83 HydrophobicContact CD1-CG1 3.85Å
61	G	93.5	Very high	94.1	Very high	48 Å²	48	52.3 Å²	52.3	50%	0.495	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.1	-158.9	-180	0	0	0	0	0	113.7	L57 I58	L57-G61 PolarHBondContact O-N 2.9Å; I58-G61 PolarHBondContact O-N 2.79Å
62	S	92.8	Very high	94.4	Very high	100 Å²	100	47.5 Å²	47.5	70%	0.699	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-10.7	-179.4	58.4	0	0	0	0	114.4	P64 Y500	S62-P64 VanDerWaalsContact C-CD 3.49Å; S62-Y500 WeakPolarHBondContact O-CB 3.22Å
63	K	96.2	Very high	95	Very high	73 Å²	73	48.7 Å²	48.7	32%	0.317	26%	0.262	S	S	.	.			trans	-126.6	71.3	179.5	-62.3	-177.1	-179.9	-175.1	0	110.7	Y65 L66 S67	K63-Y65 HydrophobicContact CB-CD1 4.34Å; K63-Y65 HydrophobicContact CB-CE1 3.83Å; K63-Y65 HydrophobicContact CG-CE1 4.13Å; K63-Y65 PolarHBondContact O-N 3.17Å; K63-Y65 VanDerWaalsContact O-N 3.1Å; K63-L66 HydrophobicContact CB-CB 4.38Å; K63-L66 HydrophobicContact CB-CD1 4.06Å; K63-L66 HydrophobicContact CB-CG 4.24Å; K63-L66 HydrophobicContact CD-CD1 3.67Å; K63-L66 PolarHBondContact O-N 3.45Å; K63-S67 PolarHBondContact O-N 2.88Å; K63-S67 PolarHBondContact O-OG 2.88Å
64	P	97.3	Very high	95.7	Very high	7 Å²	7	51.4 Å²	51.4	5%	0.045	26%	0.264	C	S	.	.	H	α-helix	trans	-54	-32.6	-177	-29.8	38.3	0	0	0	114.2	L60 S62 L66 S67 L68 F389 Y500	L60-P64 HydrophobicContact CD2-CB 4.27Å; S62-P64 VanDerWaalsContact C-CD 3.49Å; P64-L66 VanDerWaalsContact C-N 3.32Å; P64-L66 PolarHBondContact O-N 2.72Å; P64-S67 WeakPolarHBondContact CA-OG 3.27Å; P64-S67 PolarHBondContact O-OG 3.25Å; P64-L68 WeakPolarHBondContact O-CB 3.41Å; P64-L68 WeakPolarHBondContact O-CG 3.49Å; P64-L68 PolarHBondContact O-N 2.91Å; P64-F389 HydrophobicContact CB-CE2 4.09Å; P64-F389 HydrophobicContact CB-CZ 4.33Å; P64-Y500 HydrophobicContact CB-CE1 4.41Å; P64-Y500 HydrophobicContact CG-CD1 4.13Å; P64-Y500 HydrophobicContact CG-CE1 3.59Å; P64-Y500 HydrophobicContact CG-CE2 4.46Å
65	Y	97.6	Very high	96.1	Very high	6 Å²	6	50 Å²	50	2%	0.024	26%	0.256	C	S	.	.	H	α-helix	trans	-65.1	-32.7	179	64.8	-86.7	0	0	0	113.3	K63 T69 P388 F389 W417 Y500 M504	K63-Y65 HydrophobicContact CB-CD1 4.34Å; K63-Y65 HydrophobicContact CB-CE1 3.83Å; K63-Y65 HydrophobicContact CG-CE1 4.13Å; K63-Y65 PolarHBondContact O-N 3.17Å; K63-Y65 VanDerWaalsContact O-N 3.1Å; Y65-T69 WeakPolarHBondContact O-CB 3.33Å; Y65-T69 PolarHBondContact O-N 3.39Å; Y65-T69 PolarHBondContact O-OG1 2.91Å; Y65-P388 HydrophobicContact CD1-CB 4.38Å; Y65-P388 HydrophobicContact CG-CB 4.03Å; Y65-F389 VanDerWaalsContact CA-CZ 3.47Å; Y65-W417 HydrophobicContact CD2-CB 4.31Å; Y65-W417 AromaticContact CD2-CD1 3.49Å; Y65-W417 VanDerWaalsContact CD2-CD1 3.49Å; Y65-W417 AromaticContact CD2-CD2 3.73Å; Y65-W417 HydrophobicContact CD2-CD2 3.73Å; Y65-W417 AromaticContact CD2-CE2 3.8Å; Y65-W417 HydrophobicContact CD2-CE3 4.47Å; Y65-W417 AromaticContact CD2-CG 3.58Å; Y65-W417 HydrophobicContact CD2-CG 3.58Å; Y65-W417 AromaticContact CD2-NE1 3.64Å; Y65-W417 AromaticContact CE2-CD1 3.9Å; Y65-W417 HydrophobicContact CE2-CD2 4.41Å; Y65-W417 HydrophobicContact CE2-CG 4.39Å; Y65-W417 AromaticContact CE2-NE1 3.68Å; Y65-W417 HydrophobicContact CG-CG 4.32Å; Y65-Y500 AromaticContact CD1-CD2 3.58Å; Y65-Y500 HydrophobicContact CD1-CD2 3.58Å; Y65-Y500 AromaticContact CD1-CE2 3.97Å; Y65-Y500 HydrophobicContact CD1-CE2 3.97Å; Y65-Y500 AromaticContact CE1-CD2 3.91Å; Y65-Y500 HydrophobicContact CE1-CD2 3.91Å; Y65-M504 HydrophobicContact CD1-SD 3.86Å; Y65-M504 HydrophobicContact CE1-SD 3.45Å; Y65-M504 WeakPolarHBondContact CE1-SD 3.3Å; Y65-M504 HydrophobicContact CE2-SD 4.28Å; Y65-M504 HydrophobicContact CG-SD 4.44Å
66	L	98.1	Very high	96.3	Very high	60 Å²	60	51.5 Å²	51.5	31%	0.314	27%	0.271	S	S	.	.	H	α-helix	trans	-78.5	-50.2	175.1	-63	179.9	0	0	0	111.1	K63 P64 L68 T69 E70 W417	K63-L66 HydrophobicContact CB-CB 4.38Å; K63-L66 HydrophobicContact CB-CD1 4.06Å; K63-L66 HydrophobicContact CB-CG 4.24Å; K63-L66 HydrophobicContact CD-CD1 3.67Å; K63-L66 PolarHBondContact O-N 3.45Å; P64-L66 VanDerWaalsContact C-N 3.32Å; P64-L66 PolarHBondContact O-N 2.72Å; L66-L68 VanDerWaalsContact C-N 3.34Å; L66-L68 PolarHBondContact O-N 2.71Å; L66-T69 WeakPolarHBondContact O-CB 3.44Å; L66-T69 PolarHBondContact O-N 3.15Å; L66-T69 VanDerWaalsContact O-N 3.09Å; L66-E70 PolarHBondContact O-N 3.14Å; L66-W417 HydrophobicContact CD2-CD2 4.45Å; L66-W417 HydrophobicContact CD2-CE3 4.43Å; L66-W417 HydrophobicContact CD2-CH2 3.48Å; L66-W417 VanDerWaalsContact CD2-CH2 3.48Å; L66-W417 HydrophobicContact CD2-CZ2 3.47Å; L66-W417 VanDerWaalsContact CD2-CZ2 3.47Å; L66-W417 HydrophobicContact CD2-CZ3 3.97Å
67	S	98.1	Very high	96.4	Very high	23 Å²	23	54.1 Å²	54.1	16%	0.161	29%	0.285	C	S	.	.	H	α-helix	trans	-61.5	-42.2	-178.2	51.5	0	0	0	0	111.8	E59 L60 K63 P64 T69 E70 M71	E59-S67 VanDerWaalsContact O-CB 3.25Å; E59-S67 WeakPolarHBondContact O-CB 3.27Å; L60-S67 WeakPolarHBondContact CA-OG 3.46Å; L60-S67 PolarHBondContact O-OG 3.32Å; K63-S67 PolarHBondContact O-N 2.88Å; K63-S67 PolarHBondContact O-OG 2.88Å; P64-S67 WeakPolarHBondContact CA-OG 3.27Å; P64-S67 PolarHBondContact O-OG 3.25Å; S67-T69 VanDerWaalsContact C-N 3.32Å; S67-T69 PolarHBondContact O-N 3.09Å; S67-E70 PolarHBondContact O-N 2.74Å; S67-M71 VanDerWaalsContact O-CG 3.32Å; S67-M71 WeakPolarHBondContact O-CG 3.16Å; S67-M71 PolarHBondContact O-N 3.44Å
68	L	98.4	Very high	96.7	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-68.7	-30	175.1	-68	-178	0	0	0	112.9	L60 P64 L66 M71 S72 F79 I81 V90 F389 F413	L60-L68 HydrophobicContact CD2-CD1 3.98Å; L60-L68 HydrophobicContact CD2-CD2 3.6Å; L60-L68 HydrophobicContact CD2-CG 3.68Å; P64-L68 WeakPolarHBondContact O-CB 3.41Å; P64-L68 WeakPolarHBondContact O-CG 3.49Å; P64-L68 PolarHBondContact O-N 2.91Å; L66-L68 VanDerWaalsContact C-N 3.34Å; L66-L68 PolarHBondContact O-N 2.71Å; L68-M71 HydrophobicContact CD2-SD 3.82Å; L68-M71 PolarHBondContact O-N 3.07Å; L68-S72 PolarHBondContact O-N 3.26Å; L68-F79 HydrophobicContact CB-CZ 4.45Å; L68-F79 HydrophobicContact CD2-CE2 4.01Å; L68-F79 HydrophobicContact CD2-CZ 4Å; L68-I81 HydrophobicContact CD2-CD1 4.07Å; L68-I81 HydrophobicContact CD2-CG2 4.24Å; L68-V90 HydrophobicContact CB-CG1 4.3Å; L68-V90 HydrophobicContact CD1-CG1 4.15Å; L68-V90 HydrophobicContact CD1-CG2 3.95Å; L68-V90 HydrophobicContact CD2-CG2 3.94Å; L68-F389 HydrophobicContact CB-CZ 4.46Å; L68-F389 HydrophobicContact CD1-CE1 3.82Å; L68-F389 HydrophobicContact CD1-CZ 3.67Å; L68-F413 HydrophobicContact CD1-CD2 4.15Å
69	T	98.4	Very high	97	Very high	9 Å²	9	47.1 Å²	47.1	6%	0.055	25%	0.249	C	C	.	.	H	α-helix	trans	-66.9	-44.6	171.7	-61.1	0	0	0	0	111.1	Y65 L66 S67 M71 S72 K73 N415 W417 Q418	Y65-T69 WeakPolarHBondContact O-CB 3.33Å; Y65-T69 PolarHBondContact O-N 3.39Å; Y65-T69 PolarHBondContact O-OG1 2.91Å; L66-T69 WeakPolarHBondContact O-CB 3.44Å; L66-T69 PolarHBondContact O-N 3.15Å; L66-T69 VanDerWaalsContact O-N 3.09Å; S67-T69 VanDerWaalsContact C-N 3.32Å; S67-T69 PolarHBondContact O-N 3.09Å; T69-M71 VanDerWaalsContact C-N 3.32Å; T69-M71 PolarHBondContact O-N 3.08Å; T69-S72 WeakPolarHBondContact O-CB 3.29Å; T69-S72 PolarHBondContact O-N 2.94Å; T69-S72 PolarHBondContact O-OG 2.8Å; T69-K73 PolarHBondContact O-N 3.41Å; T69-N415 PolarHBondContact OG1-ND2 3.45Å; T69-N415 VanDerWaalsContact OG1-ND2 3.16Å; T69-W417 HydrophobicContact CG2-CE3 4.2Å; T69-W417 HydrophobicContact CG2-CZ3 3.73Å; T69-W417 VanDerWaalsContact OG1-CE3 3.27Å; T69-Q418 HydrophobicContact CG2-CB 4.09Å; T69-Q418 HydrophobicContact CG2-CG 3.66Å; T69-Q418 WeakPolarHBondContact OG1-CB 3.22Å
70	E	98.1	Very high	97.2	Very high	108 Å²	108	46.2 Å²	46.2	51%	0.505	25%	0.245	S	C	.	.	H	α-helix	trans	-63.2	-38.8	174.9	-67	-51	132	0	0	112.2	L66 S67 S72 K73	L66-E70 PolarHBondContact O-N 3.14Å; S67-E70 PolarHBondContact O-N 2.74Å; E70-S72 VanDerWaalsContact C-N 3.34Å; E70-S72 PolarHBondContact O-N 3.31Å; E70-K73 VanDerWaalsContact CD-NZ 3.27Å; E70-K73 WeakPolarHBondContact O-CB 3.21Å; E70-K73 PolarHBondContact O-N 3.48Å; E70-K73 IonicContact OE1-NZ 3.48Å; E70-K73 PolarHBondContact OE1-NZ 3.36Å; E70-K73 WeakPolarHBondContact OE2-CD 3.47Å; E70-K73 IonicContact OE2-NZ 2.71Å; E70-K73 PolarHBondContact OE2-NZ 2.71Å; E70-K73 VanDerWaalsContact OE2-NZ 3.09Å
71	M	98.1	Very high	97.4	Very high	20 Å²	20	46 Å²	46	10%	0.099	24%	0.244	C	C	.	.	H	α-helix	trans	-62.5	-39.5	173.3	-70.9	179.3	-170.7	0	0	112.2	P48 E59 S67 L68 T69 K73 R74 F75 F79 I81	P48-M71 HydrophobicContact CG-CE 4.46Å; P48-M71 HydrophobicContact CG-SD 4.15Å; E59-M71 HydrophobicContact CB-CE 3.43Å; E59-M71 VanDerWaalsContact CB-CE 3.43Å; E59-M71 HydrophobicContact CG-CE 4.43Å; E59-M71 WeakPolarHBondContact OE2-CE 3.23Å; S67-M71 VanDerWaalsContact O-CG 3.32Å; S67-M71 WeakPolarHBondContact O-CG 3.16Å; S67-M71 PolarHBondContact O-N 3.44Å; L68-M71 HydrophobicContact CD2-SD 3.82Å; L68-M71 PolarHBondContact O-N 3.07Å; T69-M71 VanDerWaalsContact C-N 3.32Å; T69-M71 PolarHBondContact O-N 3.08Å; M71-K73 PolarHBondContact O-N 3.08Å; M71-R74 PolarHBondContact O-N 3.48Å; M71-F75 HydrophobicContact CB-CD2 4.12Å; M71-F75 HydrophobicContact CB-CE2 4.46Å; M71-F75 HydrophobicContact CG-CE2 4.5Å; M71-F75 VanDerWaalsContact O-CD2 3.3Å; M71-F75 WeakPolarHBondContact O-CD2 3.32Å; M71-F75 PolarHBondContact O-N 3.47Å; M71-F79 HydrophobicContact CB-CD2 4.46Å; M71-F79 HydrophobicContact CB-CE2 3.62Å; M71-F79 HydrophobicContact CB-CZ 3.68Å; M71-F79 HydrophobicContact CG-CE2 4.47Å; M71-F79 HydrophobicContact SD-CE2 4.07Å; M71-I81 HydrophobicContact SD-CG2 3.91Å
72	S	97.9	Very high	97.5	Very high	8 Å²	8	46.3 Å²	46.3	6%	0.056	23%	0.232	C	C	.	.	H	α-helix	trans	-60.5	-33.2	178	77.8	0	0	0	0	112.7	L68 T69 E70 R74 G76	L68-S72 PolarHBondContact O-N 3.26Å; T69-S72 WeakPolarHBondContact O-CB 3.29Å; T69-S72 PolarHBondContact O-N 2.94Å; T69-S72 PolarHBondContact O-OG 2.8Å; E70-S72 VanDerWaalsContact C-N 3.34Å; E70-S72 PolarHBondContact O-N 3.31Å; S72-R74 PolarHBondContact O-N 2.99Å; S72-G76 CarbonylContact O-C 3.58Å; S72-G76 WeakPolarHBondContact O-CA 3.49Å; S72-G76 PolarHBondContact O-N 2.76Å
73	K	97.1	Very high	97.6	Very high	139 Å²	139	41.5 Å²	41.5	60%	0.604	20%	0.199	S	C	*	.	H	α-helix	trans	-64.6	-30.1	175.1	-63.3	174.9	-174.5	167.7	0	112.5	T69 E70 M71	T69-K73 PolarHBondContact O-N 3.41Å; E70-K73 VanDerWaalsContact CD-NZ 3.27Å; E70-K73 WeakPolarHBondContact O-CB 3.21Å; E70-K73 PolarHBondContact O-N 3.48Å; E70-K73 IonicContact OE1-NZ 3.48Å; E70-K73 PolarHBondContact OE1-NZ 3.36Å; E70-K73 WeakPolarHBondContact OE2-CD 3.47Å; E70-K73 IonicContact OE2-NZ 2.71Å; E70-K73 PolarHBondContact OE2-NZ 2.71Å; E70-K73 VanDerWaalsContact OE2-NZ 3.09Å; M71-K73 PolarHBondContact O-N 3.08Å
74	R	96.7	Very high	97.3	Very high	185 Å²	185	38.2 Å²	38.2	70%	0.698	19%	0.185	S	C	*	.	H	α-helix	trans	-91.9	-39.4	-177.7	176.9	178.7	151.3	-166.6	-5.3	113.2	M71 S72	M71-R74 PolarHBondContact O-N 3.48Å; S72-R74 PolarHBondContact O-N 2.99Å
75	F	97.7	Very high	96.9	Very high	34 Å²	34	45.3 Å²	45.3	15%	0.149	22%	0.22	C	C	.	.	H	α-helix	trans	-106.5	-7.3	-173.1	-59.8	-72.3	0	0	0	113.9	P46 G47 P48 M71 F79	P46-F75 HydrophobicContact CB-CB 4.41Å; P46-F75 HydrophobicContact CB-CD1 4.35Å; P46-F75 HydrophobicContact CG-CB 4.48Å; P46-F75 WeakPolarHBondContact CG-O 3.46Å; G47-F75 VanDerWaalsContact C-CZ 3.46Å; G47-F75 WeakPolarHBondContact O-CE1 3.4Å; P48-F75 HydrophobicContact CB-CE2 3.98Å; P48-F75 HydrophobicContact CB-CZ 3.79Å; P48-F75 HydrophobicContact CG-CE2 4.07Å; P48-F75 HydrophobicContact CG-CZ 4.28Å; M71-F75 HydrophobicContact CB-CD2 4.12Å; M71-F75 HydrophobicContact CB-CE2 4.46Å; M71-F75 HydrophobicContact CG-CE2 4.5Å; M71-F75 VanDerWaalsContact O-CD2 3.3Å; M71-F75 WeakPolarHBondContact O-CD2 3.32Å; M71-F75 PolarHBondContact O-N 3.47Å; F75-F79 HydrophobicContact CB-CB 3.61Å; F75-F79 HydrophobicContact CB-CD2 4.49Å; F75-F79 HydrophobicContact CB-CG 4.02Å; F75-F79 HydrophobicContact CG-CB 4.5Å
76	G	97.8	Very high	96.6	Very high	30 Å²	30	48 Å²	48	31%	0.309	23%	0.23	S	C	.	.			trans	88.2	-174.2	-177.7	0	0	0	0	0	113.3	S72 V78 F79	S72-G76 CarbonylContact O-C 3.58Å; S72-G76 WeakPolarHBondContact O-CA 3.49Å; S72-G76 PolarHBondContact O-N 2.76Å; G76-V78 VanDerWaalsContact C-N 3.27Å; G76-V78 PolarHBondContact O-N 3.15Å; G76-F79 WeakPolarHBondContact O-CD1 3.19Å
77	D	98.2	Very high	96.4	Very high	56 Å²	56	47.2 Å²	47.2	30%	0.299	23%	0.229	S	C	.	.	S	Bend	trans	-69.3	-20.4	-172.7	-70	2.6	0	0	0	114.6	L91 S92 T96	D77-L91 WeakPolarHBondContact O-CA 3.29Å; D77-S92 VanDerWaalsContact CB-O 3.27Å; D77-S92 WeakPolarHBondContact CB-O 3.44Å; D77-S92 PolarHBondContact O-N 3.27Å; D77-T96 HydrophobicContact CB-CG2 4.01Å; D77-T96 WeakPolarHBondContact CB-OG1 3.48Å; D77-T96 PolarHBondContact OD2-OG1 3.1Å
78	V	98.6	Very high	96.4	Very high	4 Å²	4	46.1 Å²	46.1	2%	0.024	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	105.9	-179.8	-171.8	0	0	0	0	108.2	L45 P46 G76 V89 L91 T96 L401 N402 Y404	L45-V78 HydrophobicContact CD2-CG1 3.54Å; P46-V78 WeakPolarHBondContact CD-O 3.36Å; P46-V78 WeakPolarHBondContact CG-O 3.27Å; G76-V78 VanDerWaalsContact C-N 3.27Å; G76-V78 PolarHBondContact O-N 3.15Å; V78-V89 HydrophobicContact CG1-CG1 4.42Å; V78-L91 HydrophobicContact CB-CD2 4.33Å; V78-L91 HydrophobicContact CG1-CD2 3.89Å; V78-L91 HydrophobicContact CG2-CD2 4.09Å; V78-T96 HydrophobicContact CG2-CG2 3.38Å; V78-L401 HydrophobicContact CG1-CD2 4.34Å; V78-L401 HydrophobicContact CG2-CD2 3.9Å; V78-L401 HydrophobicContact CG2-CG 4.17Å; V78-N402 HydrophobicContact CG2-CB 4.41Å; V78-Y404 HydrophobicContact CB-CD2 4Å; V78-Y404 HydrophobicContact CB-CE2 4.3Å; V78-Y404 HydrophobicContact CG1-CD2 4.09Å
79	F	98.5	Very high	96.4	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	164.3	178.5	69.2	-81.3	0	0	0	111.3	P46 L68 M71 F75 G76 I81 V89 V90	P46-F79 HydrophobicContact CG-CB 4.23Å; P46-F79 CarbonylContact O-C 3.44Å; P46-F79 VanDerWaalsContact O-CA 3.27Å; P46-F79 WeakPolarHBondContact O-CA 3.33Å; P46-F79 WeakPolarHBondContact O-CB 3.4Å; L68-F79 HydrophobicContact CB-CZ 4.45Å; L68-F79 HydrophobicContact CD2-CE2 4.01Å; L68-F79 HydrophobicContact CD2-CZ 4Å; M71-F79 HydrophobicContact CB-CD2 4.46Å; M71-F79 HydrophobicContact CB-CE2 3.62Å; M71-F79 HydrophobicContact CB-CZ 3.68Å; M71-F79 HydrophobicContact CG-CE2 4.47Å; M71-F79 HydrophobicContact SD-CE2 4.07Å; F75-F79 HydrophobicContact CB-CB 3.61Å; F75-F79 HydrophobicContact CB-CD2 4.49Å; F75-F79 HydrophobicContact CB-CG 4.02Å; F75-F79 HydrophobicContact CG-CB 4.5Å; G76-F79 WeakPolarHBondContact O-CD1 3.19Å; F79-I81 HydrophobicContact CD2-CG2 4.07Å; F79-I81 HydrophobicContact CE2-CG2 3.79Å; F79-V89 CarbonylContact O-C 3.2Å; F79-V89 WeakPolarHBondContact O-CA 3.47Å; F79-V90 HydrophobicContact CD1-CB 4.16Å; F79-V90 HydrophobicContact CD2-CB 4.4Å; F79-V90 HydrophobicContact CE1-CB 3.67Å; F79-V90 HydrophobicContact CE1-CG1 3.65Å; F79-V90 HydrophobicContact CE2-CB 3.93Å; F79-V90 HydrophobicContact CE2-CG1 4.41Å; F79-V90 HydrophobicContact CE2-CG2 4.1Å; F79-V90 HydrophobicContact CZ-CB 3.54Å; F79-V90 HydrophobicContact CZ-CG1 3.57Å; F79-V90 HydrophobicContact CZ-CG2 4.09Å; F79-V90 PolarHBondContact N-O 3.06Å; F79-V90 PolarHBondContact O-N 3.03Å
80	Q	97.9	Very high	96.4	Very high	55 Å²	55	45.7 Å²	45.7	26%	0.257	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	138.5	179.2	-175.5	-177.7	-49.6	0	0	110.3	L45 P46 G47 P87 V88	L45-Q80 HydrophobicContact CB-CB 3.8Å; L45-Q80 HydrophobicContact CD1-CB 4.21Å; P46-Q80 PolarHBondContact O-N 3.06Å; G47-Q80 VanDerWaalsContact CA-O 3.25Å; G47-Q80 WeakPolarHBondContact CA-O 3.38Å; Q80-P87 HydrophobicContact CG-CB 4.25Å; Q80-V88 WeakPolarHBondContact CA-O 3.35Å
81	I	97.6	Very high	96.4	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.01	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	168.7	162.9	59.5	158.3	0	0	0	109.4	P48 N56 L60 L68 M71 F79 I83 V88 V90	P48-I81 HydrophobicContact CG-CG2 4.04Å; N56-I81 HydrophobicContact CB-CB 4.32Å; L60-I81 HydrophobicContact CD1-CD1 3.95Å; L60-I81 HydrophobicContact CD2-CD1 3.87Å; L60-I81 HydrophobicContact CG-CD1 4.21Å; L68-I81 HydrophobicContact CD2-CD1 4.07Å; L68-I81 HydrophobicContact CD2-CG2 4.24Å; M71-I81 HydrophobicContact SD-CG2 3.91Å; F79-I81 HydrophobicContact CD2-CG2 4.07Å; F79-I81 HydrophobicContact CE2-CG2 3.79Å; I81-I83 HydrophobicContact CD1-CD1 4.05Å; I81-I83 HydrophobicContact CD1-CG1 3.88Å; I81-V88 HydrophobicContact CG1-CB 4.02Å; I81-V88 PolarHBondContact N-O 3.08Å; I81-V88 PolarHBondContact O-N 3.49Å; I81-V90 HydrophobicContact CD1-CG2 4.37Å; I81-V90 HydrophobicContact CG1-CG2 4.09Å
82	Q	95.6	Very high	96.4	Very high	53 Å²	53	39.6 Å²	39.6	25%	0.248	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	127.8	172.9	-162	78.9	-3.1	0	0	108.9	G55 N56 G84 M85	G55-Q82 CarbonylContact C-O 3.5Å; G55-Q82 WeakPolarHBondContact CA-O 3.4Å; N56-Q82 PolarHBondContact N-O 2.76Å; N56-Q82 PolarHBondContact OD1-N 2.87Å; N56-Q82 PolarHBondContact OD1-O 3.02Å; Q82-G84 WeakPolarHBondContact CG-O 3.44Å; Q82-M85 PolarHBondContact NE2-O 3.5Å
83	I	94.9	Very high	96.4	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	117.2	168.6	-50.1	-176.4	0	0	0	106.9	L57 L60 I81 M85 R86 V88 F241 F413	L57-I83 HydrophobicContact CD1-CG2 4.25Å; L57-I83 HydrophobicContact CD2-CG2 3.56Å; L57-I83 HydrophobicContact CG-CG2 3.78Å; L60-I83 HydrophobicContact CD1-CD1 3.64Å; L60-I83 HydrophobicContact CD1-CG1 3.85Å; I81-I83 HydrophobicContact CD1-CD1 4.05Å; I81-I83 HydrophobicContact CD1-CG1 3.88Å; I83-M85 PolarHBondContact O-N 2.86Å; I83-R86 PolarHBondContact N-O 3.47Å; I83-R86 PolarHBondContact O-N 3.1Å; I83-V88 HydrophobicContact CB-CG2 4.5Å; I83-V88 HydrophobicContact CD1-CG2 4.03Å; I83-V88 HydrophobicContact CG1-CG2 4.03Å; I83-F241 HydrophobicContact CB-CB 3.93Å; I83-F241 HydrophobicContact CB-CD1 3.83Å; I83-F241 HydrophobicContact CB-CD2 4.15Å; I83-F241 HydrophobicContact CB-CE1 4.39Å; I83-F241 HydrophobicContact CB-CG 3.7Å; I83-F241 HydrophobicContact CD1-CD2 4.32Å; I83-F241 HydrophobicContact CD1-CE1 4.41Å; I83-F241 HydrophobicContact CD1-CE2 4.13Å; I83-F241 HydrophobicContact CD1-CZ 4.17Å; I83-F241 HydrophobicContact CG2-CB 3.47Å; I83-F241 VanDerWaalsContact CG2-CB 3.47Å; I83-F241 HydrophobicContact CG2-CD1 4.14Å; I83-F241 HydrophobicContact CG2-CD2 3.62Å; I83-F241 HydrophobicContact CG2-CE2 4.42Å; I83-F241 HydrophobicContact CG2-CG 3.47Å; I83-F241 VanDerWaalsContact CG2-CG 3.47Å; I83-F413 HydrophobicContact CD1-CE2 3.94Å; I83-F413 HydrophobicContact CD1-CZ 4.13Å
84	G	91.3	Very high	96.5	Very high	3 Å²	3	34.4 Å²	34.4	3%	0.031	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	-123.5	-167.4	0	0	0	0	0	110.6	I53 I54 Q82	I53-G84 CarbonylContact O-C 3.48Å; I53-G84 WeakPolarHBondContact O-CA 3.36Å; I54-G84 PolarHBondContact O-N 3.29Å; I54-G84 VanDerWaalsContact O-N 3.16Å; Q82-G84 WeakPolarHBondContact CG-O 3.44Å
85	M	87.4	Confident	96.5	Very high	156 Å²	156	31.3 Å²	31.3	77%	0.768	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.9	7.5	174	-62.8	-175.4	70.3	0	0	113.8	Q82 I83	Q82-M85 PolarHBondContact NE2-O 3.5Å; I83-M85 PolarHBondContact O-N 2.86Å
86	R	92	Very high	96.6	Very high	62 Å²	62	30 Å²	30	23%	0.234	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	128.3	-177.1	-169.8	174.3	-175.5	167.4	3.2	110.7	I83 D113 F241	I83-R86 PolarHBondContact N-O 3.47Å; I83-R86 PolarHBondContact O-N 3.1Å; R86-D113 PolarHBondContact NH1-O 3.42Å; R86-F241 HydrophobicContact CB-CD1 4.04Å; R86-F241 HydrophobicContact CG-CD1 4.38Å
87	P	93.8	Very high	96.6	Very high	45 Å²	45	28.6 Å²	28.6	29%	0.292	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	140.5	172.7	30.7	-34.5	0	0	0	110.6	Q80	Q80-P87 HydrophobicContact CG-CB 4.25Å
88	V	98	Very high	96.6	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	122.7	174.4	-177	0	0	0	0	108.5	Q80 I81 I83 F241 C411 F413	Q80-V88 WeakPolarHBondContact CA-O 3.35Å; I81-V88 HydrophobicContact CG1-CB 4.02Å; I81-V88 PolarHBondContact N-O 3.08Å; I81-V88 PolarHBondContact O-N 3.49Å; I83-V88 HydrophobicContact CB-CG2 4.5Å; I83-V88 HydrophobicContact CD1-CG2 4.03Å; I83-V88 HydrophobicContact CG1-CG2 4.03Å; V88-F241 HydrophobicContact CG2-CD1 4.4Å; V88-F241 HydrophobicContact CG2-CE1 3.71Å; V88-F241 HydrophobicContact CG2-CZ 4.33Å; V88-C411 CarbonylContact C-O 3.57Å; V88-C411 WeakPolarHBondContact CA-O 3.41Å; V88-C411 HydrophobicContact CG1-CB 4.39Å; V88-C411 HydrophobicContact CG2-CB 4.15Å; V88-F413 HydrophobicContact CG1-CD1 3.85Å; V88-F413 HydrophobicContact CG1-CD2 3.79Å; V88-F413 HydrophobicContact CG1-CE1 3.92Å; V88-F413 HydrophobicContact CG1-CE2 3.87Å; V88-F413 HydrophobicContact CG1-CG 3.77Å; V88-F413 HydrophobicContact CG1-CZ 3.93Å
89	V	98.7	Very high	96.6	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	135.7	171.2	171.2	0	0	0	0	108.7	L45 V78 F79 L91 I406 T410 C411 V412 F413	L45-V89 HydrophobicContact CD1-CG2 3.59Å; L45-V89 HydrophobicContact CD2-CG2 4.49Å; V78-V89 HydrophobicContact CG1-CG1 4.42Å; F79-V89 CarbonylContact O-C 3.2Å; F79-V89 WeakPolarHBondContact O-CA 3.47Å; V89-L91 HydrophobicContact CG1-CD2 3.61Å; V89-L91 HydrophobicContact CG1-CG 4.23Å; V89-I406 HydrophobicContact CG1-CD1 4.33Å; V89-I406 HydrophobicContact CG2-CG2 4.49Å; V89-T410 HydrophobicContact CB-CG2 4.29Å; V89-T410 HydrophobicContact CG2-CG2 3.6Å; V89-C411 PolarHBondContact N-O 2.89Å; V89-V412 HydrophobicContact CB-CG1 4.49Å; V89-V412 HydrophobicContact CB-CG2 4.29Å; V89-V412 HydrophobicContact CG1-CG1 4.35Å; V89-V412 CarbonylContact O-C 3.41Å; V89-V412 VanDerWaalsContact O-CA 3.26Å; V89-V412 WeakPolarHBondContact O-CA 3.21Å; V89-F413 PolarHBondContact O-N 3.45Å
90	V	98.8	Very high	96.6	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	124.1	174.9	-177.5	0	0	0	0	107.9	L68 F79 I81 F413	L68-V90 HydrophobicContact CB-CG1 4.3Å; L68-V90 HydrophobicContact CD1-CG1 4.15Å; L68-V90 HydrophobicContact CD1-CG2 3.95Å; L68-V90 HydrophobicContact CD2-CG2 3.94Å; F79-V90 HydrophobicContact CD1-CB 4.16Å; F79-V90 HydrophobicContact CD2-CB 4.4Å; F79-V90 HydrophobicContact CE1-CB 3.67Å; F79-V90 HydrophobicContact CE1-CG1 3.65Å; F79-V90 HydrophobicContact CE2-CB 3.93Å; F79-V90 HydrophobicContact CE2-CG1 4.41Å; F79-V90 HydrophobicContact CE2-CG2 4.1Å; F79-V90 HydrophobicContact CZ-CB 3.54Å; F79-V90 HydrophobicContact CZ-CG1 3.57Å; F79-V90 HydrophobicContact CZ-CG2 4.09Å; F79-V90 PolarHBondContact N-O 3.06Å; F79-V90 PolarHBondContact O-N 3.03Å; I81-V90 HydrophobicContact CD1-CG2 4.37Å; I81-V90 HydrophobicContact CG1-CG2 4.09Å; V90-F413 WeakPolarHBondContact CA-O 3.13Å; V90-F413 HydrophobicContact CG2-CB 4.41Å
91	L	98.8	Very high	96.6	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	124.7	175.3	-54.6	-172.6	0	0	0	109.3	D77 V78 V89 V97 A100 L401 V412 F413 I414 N415	D77-L91 WeakPolarHBondContact O-CA 3.29Å; V78-L91 HydrophobicContact CB-CD2 4.33Å; V78-L91 HydrophobicContact CG1-CD2 3.89Å; V78-L91 HydrophobicContact CG2-CD2 4.09Å; V89-L91 HydrophobicContact CG1-CD2 3.61Å; V89-L91 HydrophobicContact CG1-CG 4.23Å; L91-V97 HydrophobicContact CB-CG2 4Å; L91-A100 HydrophobicContact CD1-CB 3.6Å; L91-L401 HydrophobicContact CD1-CD2 3.83Å; L91-L401 HydrophobicContact CD2-CD2 3.55Å; L91-L401 HydrophobicContact CG-CD2 4.37Å; L91-V412 HydrophobicContact CD1-CG1 3.73Å; L91-V412 HydrophobicContact CG-CG1 3.71Å; L91-F413 PolarHBondContact N-O 3.39Å; L91-I414 HydrophobicContact CB-CD1 3.92Å; L91-I414 HydrophobicContact CD1-CD1 3.7Å; L91-I414 HydrophobicContact CG-CD1 4.08Å; L91-N415 PolarHBondContact O-N 3.45Å
92	S	98.2	Very high	96.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.161	C	C	.	.			trans	-126.2	170.8	174.3	-55.4	0	0	0	0	108.7	D77 T96	D77-S92 VanDerWaalsContact CB-O 3.27Å; D77-S92 WeakPolarHBondContact CB-O 3.44Å; D77-S92 PolarHBondContact O-N 3.27Å; S92-T96 WeakPolarHBondContact O-CB 3.5Å
93	G	97.8	Very high	96.6	Very high	3 Å²	3	37 Å²	37	3%	0.031	18%	0.179	C	C	.	.	S	Bend	trans	77.2	129.9	-179.9	0	0	0	0	0	113.3	E95 T96 V97	G93-E95 PolarHBondContact O-N 3.35Å; G93-T96 PolarHBondContact O-N 2.99Å; G93-V97 WeakPolarHBondContact O-CG2 3.35Å; G93-V97 PolarHBondContact O-N 2.86Å
94	Y	97.8	Very high	96.8	Very high	35 Å²	35	38.9 Å²	38.9	14%	0.137	19%	0.188	C	C	.	.	H	α-helix	trans	-58.8	-47.4	-172.7	179.4	-96.6	0	0	0	113	V97 K98 I419	Y94-V97 PolarHBondContact O-N 3.33Å; Y94-K98 HydrophobicContact CE1-CD 3.89Å; Y94-K98 VanDerWaalsContact O-CB 3.26Å; Y94-K98 WeakPolarHBondContact O-CB 3.21Å; Y94-K98 PolarHBondContact O-N 2.72Å; Y94-I419 HydrophobicContact CD2-CG2 4.14Å
95	E	97.7	Very high	97	Very high	120 Å²	120	39 Å²	39	56%	0.561	19%	0.189	S	C	*	.	H	α-helix	trans	-67.3	-39.1	-177.9	-69.5	-56.3	140.4	0	0	112.8	G93 K98 Q99	G93-E95 PolarHBondContact O-N 3.35Å; E95-K98 PolarHBondContact O-N 2.9Å; E95-Q99 WeakPolarHBondContact O-CB 3.3Å; E95-Q99 PolarHBondContact O-N 2.77Å
96	T	98.4	Very high	97.5	Very high	7 Å²	7	34.3 Å²	34.3	4%	0.043	17%	0.167	C	C	.	.	H	α-helix	trans	-64.8	-45.8	176.8	-66.8	0	0	0	0	111.1	D77 V78 S92 G93 Q99 A100 L401 N402	D77-T96 HydrophobicContact CB-CG2 4.01Å; D77-T96 WeakPolarHBondContact CB-OG1 3.48Å; D77-T96 PolarHBondContact OD2-OG1 3.1Å; V78-T96 HydrophobicContact CG2-CG2 3.38Å; S92-T96 WeakPolarHBondContact O-CB 3.5Å; G93-T96 PolarHBondContact O-N 2.99Å; T96-Q99 WeakPolarHBondContact O-CB 3.28Å; T96-Q99 PolarHBondContact O-N 2.8Å; T96-A100 PolarHBondContact O-N 3.32Å; T96-L401 HydrophobicContact CG2-CD2 4.12Å; T96-N402 PolarHBondContact OG1-ND2 2.79Å
97	V	98.4	Very high	97.8	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-65.3	-40.4	176.9	172.1	0	0	0	0	111.2	L91 G93 Y94 A100 L101 I414 I419 L454 L458	L91-V97 HydrophobicContact CB-CG2 4Å; G93-V97 WeakPolarHBondContact O-CG2 3.35Å; G93-V97 PolarHBondContact O-N 2.86Å; Y94-V97 PolarHBondContact O-N 3.33Å; V97-A100 PolarHBondContact O-N 3.43Å; V97-L101 HydrophobicContact CG1-CD1 3.72Å; V97-L101 HydrophobicContact CG1-CG 4.14Å; V97-L101 WeakPolarHBondContact O-CB 3.41Å; V97-L101 WeakPolarHBondContact O-CG 3.42Å; V97-L101 PolarHBondContact O-N 3.07Å; V97-I414 HydrophobicContact CB-CG2 4.4Å; V97-I414 HydrophobicContact CG1-CG2 3.54Å; V97-I414 HydrophobicContact CG2-CG2 3.88Å; V97-I419 HydrophobicContact CB-CD1 4Å; V97-I419 HydrophobicContact CG1-CD1 4.38Å; V97-I419 HydrophobicContact CG2-CD1 3.77Å; V97-L454 HydrophobicContact CG1-CD2 4.13Å; V97-L458 HydrophobicContact CG1-CD1 4.31Å
98	K	97.9	Very high	98	Very high	75 Å²	75	30.2 Å²	30.2	33%	0.326	15%	0.147	S	C	.	.	H	α-helix	trans	-63.1	-40.5	174.8	-172.8	174.6	-176.9	173.4	0	111.9	Y94 E95 T102 K103 L458	Y94-K98 HydrophobicContact CE1-CD 3.89Å; Y94-K98 VanDerWaalsContact O-CB 3.26Å; Y94-K98 WeakPolarHBondContact O-CB 3.21Å; Y94-K98 PolarHBondContact O-N 2.72Å; E95-K98 PolarHBondContact O-N 2.9Å; K98-T102 WeakPolarHBondContact O-CA 3.3Å; K98-T102 WeakPolarHBondContact O-CB 3.47Å; K98-T102 PolarHBondContact O-N 3.33Å; K98-K103 PolarHBondContact O-N 3.42Å; K98-L458 HydrophobicContact CB-CD1 4.37Å
99	Q	98.3	Very high	97.9	Very high	49 Å²	49	30.8 Å²	30.8	23%	0.229	15%	0.152	C	C	.	.	I	π-helix	trans	-59.8	-51.2	174.2	-179.7	66.5	24.2	0	0	111.2	E95 T96 K103 Q104 L401	E95-Q99 WeakPolarHBondContact O-CB 3.3Å; E95-Q99 PolarHBondContact O-N 2.77Å; T96-Q99 WeakPolarHBondContact O-CB 3.28Å; T96-Q99 PolarHBondContact O-N 2.8Å; Q99-K103 WeakPolarHBondContact O-CB 3.23Å; Q99-K103 PolarHBondContact O-N 3.13Å; Q99-K103 VanDerWaalsContact OE1-CE 3.29Å; Q99-Q104 PolarHBondContact O-N 3.01Å; Q99-L401 HydrophobicContact CB-CD1 4.15Å; Q99-L401 HydrophobicContact CG-CD1 3.66Å
100	A	98.5	Very high	97.9	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.159	C	C	.	.	I	π-helix	trans	-66.8	-51.9	-177.6	0	0	0	0	0	112.5	L91 T96 V97 Q104 G105 F108 L401	L91-A100 HydrophobicContact CD1-CB 3.6Å; T96-A100 PolarHBondContact O-N 3.32Å; V97-A100 PolarHBondContact O-N 3.43Å; A100-Q104 CarbonylContact O-C 3.41Å; A100-G105 PolarHBondContact O-N 3.35Å; A100-F108 HydrophobicContact CB-CD2 3.93Å; A100-F108 HydrophobicContact CB-CE2 3.95Å; A100-F108 HydrophobicContact CB-CG 4.3Å; A100-F108 HydrophobicContact CB-CZ 4.31Å; A100-F108 WeakPolarHBondContact O-CD2 3.42Å; A100-L401 HydrophobicContact CB-CD1 4.06Å; A100-L401 HydrophobicContact CB-CD2 3.94Å
101	L	98.3	Very high	97.8	Very high	3 Å²	3	32.5 Å²	32.5	2%	0.016	16%	0.163	C	C	.	.	I	π-helix	trans	-82.8	-31	-170.4	-60.7	-172.1	0	0	0	113.3	V97 G105 F108 I414 L458 G459	V97-L101 HydrophobicContact CG1-CD1 3.72Å; V97-L101 HydrophobicContact CG1-CG 4.14Å; V97-L101 WeakPolarHBondContact O-CB 3.41Å; V97-L101 WeakPolarHBondContact O-CG 3.42Å; V97-L101 PolarHBondContact O-N 3.07Å; L101-G105 WeakPolarHBondContact O-CA 3.49Å; L101-F108 HydrophobicContact CD2-CB 4.12Å; L101-I414 HydrophobicContact CD1-CD1 4.29Å; L101-I414 HydrophobicContact CD1-CG1 4.12Å; L101-I414 HydrophobicContact CD1-CG2 4.17Å; L101-I414 HydrophobicContact CD2-CD1 4.05Å; L101-I414 HydrophobicContact CD2-CG1 4.4Å; L101-I414 HydrophobicContact CG-CD1 4.35Å; L101-L458 HydrophobicContact CB-CB 3.91Å; L101-L458 HydrophobicContact CD1-CB 4.07Å; L101-G459 VanDerWaalsContact O-CA 3.23Å; L101-G459 WeakPolarHBondContact O-CA 3.03Å
102	T	96.7	Very high	97.7	Very high	75 Å²	75	32.6 Å²	32.6	46%	0.46	16%	0.163	S	C	.	.	I	π-helix	trans	-97.2	-58	-178.1	-53.5	0	0	0	0	111.5	K98	K98-T102 WeakPolarHBondContact O-CA 3.3Å; K98-T102 WeakPolarHBondContact O-CB 3.47Å; K98-T102 PolarHBondContact O-N 3.33Å
103	K	97.5	Very high	97.6	Very high	144 Å²	144	36.1 Å²	36.1	63%	0.626	18%	0.182	S	C	*	.	I	π-helix	trans	-75.6	-37.8	-174.2	-52.9	-161.4	-154.5	148.4	0	112.4	K98 Q99	K98-K103 PolarHBondContact O-N 3.42Å; Q99-K103 WeakPolarHBondContact O-CB 3.23Å; Q99-K103 PolarHBondContact O-N 3.13Å; Q99-K103 VanDerWaalsContact OE1-CE 3.29Å
104	Q	97.9	Very high	97.5	Very high	40 Å²	40	36.2 Å²	36.2	19%	0.187	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	27.6	175.9	-63.3	174.9	-22	0	0	111.4	Q99 A100 D106 D107 F108 S400	Q99-Q104 PolarHBondContact O-N 3.01Å; A100-Q104 CarbonylContact O-C 3.41Å; Q104-D106 PolarHBondContact O-N 3.4Å; Q104-D107 HydrophobicContact CB-CB 4.32Å; Q104-D107 WeakPolarHBondContact O-CA 3.31Å; Q104-D107 VanDerWaalsContact O-CB 3.28Å; Q104-D107 WeakPolarHBondContact O-CB 3.5Å; Q104-D107 PolarHBondContact O-N 2.91Å; Q104-F108 HydrophobicContact CB-CD2 4.07Å; Q104-F108 HydrophobicContact CB-CE2 4.07Å; Q104-F108 PolarHBondContact O-N 3.35Å; Q104-S400 PolarHBondContact NE2-O 3.04Å; Q104-S400 PolarHBondContact OE1-O 3.39Å
105	G	96.5	Very high	97.4	Very high	6 Å²	6	37 Å²	37	6%	0.062	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-29.3	-166.3	0	0	0	0	0	115.3	A100 L101 A109	A100-G105 PolarHBondContact O-N 3.35Å; L101-G105 WeakPolarHBondContact O-CA 3.49Å; G105-A109 VanDerWaalsContact O-CB 3.26Å; G105-A109 WeakPolarHBondContact O-CB 3.44Å; G105-A109 PolarHBondContact O-N 3.44Å; G105-A109 VanDerWaalsContact O-N 3.11Å
106	D	96.9	Very high	97.3	Very high	56 Å²	56	31.3 Å²	31.3	30%	0.299	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-27.5	175.9	-68.7	-48.3	0	0	0	112.9	Q104 F108 R137 T396 R460	Q104-D106 PolarHBondContact O-N 3.4Å; D106-F108 VanDerWaalsContact C-N 3.33Å; D106-R137 IonicContact OD1-CZ 2.75Å; D106-R137 IonicContact OD1-NH2 3.91Å; D106-R137 PolarHBondContact OD1-NH2 3Å; D106-T396 WeakPolarHBondContact O-CG2 3.08Å; D106-T396 PolarHBondContact O-OG1 2.93Å; D106-R460 IonicContact OD1-CZ 2.64Å; D106-R460 IonicContact OD1-NE 3.59Å; D106-R460 PolarHBondContact OD1-NE 3.08Å; D106-R460 IonicContact OD1-NH2 3.55Å; D106-R460 IonicContact OD2-CZ 2.75Å; D106-R460 IonicContact OD2-NE 2.67Å; D106-R460 IonicContact OD2-NH2 3.58Å; D106-R460 PolarHBondContact OD2-NH2 3.41Å
107	D	98.1	Very high	97.2	Very high	21 Å²	21	31.4 Å²	31.4	11%	0.112	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-32.1	176.4	-62.3	14.1	0	0	0	110.7	Q104 S395 T396 K397 T399	Q104-D107 HydrophobicContact CB-CB 4.32Å; Q104-D107 WeakPolarHBondContact O-CA 3.31Å; Q104-D107 VanDerWaalsContact O-CB 3.28Å; Q104-D107 WeakPolarHBondContact O-CB 3.5Å; Q104-D107 PolarHBondContact O-N 2.91Å; D107-S395 CarbonylContact O-C 3.37Å; D107-S395 WeakPolarHBondContact O-CA 3.32Å; D107-T396 WeakPolarHBondContact CA-OG1 3.44Å; D107-T396 PolarHBondContact O-N 2.94Å; D107-T396 PolarHBondContact O-OG1 2.81Å; D107-K397 WeakPolarHBondContact OD1-CE 3.22Å; D107-K397 IonicContact OD1-NZ 3.13Å; D107-K397 PolarHBondContact OD1-NZ 3.4Å; D107-K397 WeakPolarHBondContact OD2-CE 3.38Å; D107-K397 IonicContact OD2-NZ 3.97Å; D107-T399 HydrophobicContact CB-CG2 4.38Å; D107-T399 WeakPolarHBondContact OD2-CB 3.43Å; D107-T399 PolarHBondContact OD2-OG1 2.89Å
108	F	98.2	Very high	97	Very high	1 Å²	1	37.9 Å²	37.9	0%	0.004	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.6	13.4	-178.1	-65	-87	0	0	0	113.8	A100 L101 Q104 D106 G110 H393 T399 L401 I406 V412	A100-F108 HydrophobicContact CB-CD2 3.93Å; A100-F108 HydrophobicContact CB-CE2 3.95Å; A100-F108 HydrophobicContact CB-CG 4.3Å; A100-F108 HydrophobicContact CB-CZ 4.31Å; A100-F108 WeakPolarHBondContact O-CD2 3.42Å; L101-F108 HydrophobicContact CD2-CB 4.12Å; Q104-F108 HydrophobicContact CB-CD2 4.07Å; Q104-F108 HydrophobicContact CB-CE2 4.07Å; Q104-F108 PolarHBondContact O-N 3.35Å; D106-F108 VanDerWaalsContact C-N 3.33Å; F108-G110 VanDerWaalsContact C-N 3.3Å; F108-G110 PolarHBondContact O-N 2.96Å; F108-H393 PolarHBondContact O-ND1 3.35Å; F108-T399 HydrophobicContact CE2-CG2 4.08Å; F108-T399 HydrophobicContact CZ-CG2 3.78Å; F108-L401 HydrophobicContact CZ-CB 4.44Å; F108-L401 HydrophobicContact CZ-CD2 4.32Å; F108-I406 HydrophobicContact CE1-CD1 4.06Å; F108-I406 HydrophobicContact CZ-CD1 3.91Å; F108-V412 HydrophobicContact CD1-CG1 4.46Å; F108-V412 HydrophobicContact CD1-CG2 4.06Å; F108-V412 HydrophobicContact CE1-CG2 4.18Å
109	A	97.3	Very high	96.9	Very high	12 Å²	12	37.1 Å²	37.1	10%	0.099	18%	0.18	C	C	.	.			trans	-79.7	-4.8	-177.2	0	0	0	0	0	114.6	G105 R460 R461	G105-A109 VanDerWaalsContact O-CB 3.26Å; G105-A109 WeakPolarHBondContact O-CB 3.44Å; G105-A109 PolarHBondContact O-N 3.44Å; G105-A109 VanDerWaalsContact O-N 3.11Å; A109-R460 HydrophobicContact CB-CB 4.08Å; A109-R460 HydrophobicContact CB-CG 4.38Å; A109-R461 VanDerWaalsContact O-CZ 3.27Å; A109-R461 PolarHBondContact O-NE 3.13Å; A109-R461 PolarHBondContact O-NH2 3.26Å
110	G	97.7	Very high	96.7	Very high	14 Å²	14	34.9 Å²	34.9	14%	0.144	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-72.3	166.2	-177.5	0	0	0	0	0	113.2	F108 H393 C394	F108-G110 VanDerWaalsContact C-N 3.3Å; F108-G110 PolarHBondContact O-N 2.96Å; G110-H393 CarbonylContact O-C 3.28Å; G110-H393 WeakPolarHBondContact O-CA 3.29Å; G110-C394 VanDerWaalsContact CA-O 3.27Å; G110-C394 WeakPolarHBondContact CA-O 3.33Å; G110-C394 PolarHBondContact N-O 3.05Å; G110-C394 VanDerWaalsContact N-O 3.09Å; G110-C394 PolarHBondContact O-N 2.92Å
111	R	97.7	Very high	96.3	Very high	22 Å²	22	35.3 Å²	35.3	8%	0.083	17%	0.171	C	C	.	.			trans	-114.1	143.4	163.3	-69.1	-57.5	-171.4	-156.7	-0.4	109.6	A127 S129 I391 P392 C394	R111-A127 PolarHBondContact NE-O 3.07Å; R111-A127 PolarHBondContact NH2-O 2.78Å; R111-S129 WeakPolarHBondContact CB-O 3.23Å; R111-S129 WeakPolarHBondContact CG-O 3.41Å; R111-I391 VanDerWaalsContact CZ-CG2 3.4Å; R111-I391 PolarHBondContact NH1-O 3.25Å; R111-P392 WeakPolarHBondContact CD-O 3.24Å; R111-P392 PolarHBondContact NH1-O 3.45Å; R111-C394 WeakPolarHBondContact O-CB 3.3Å
112	P	96.4	Very high	95.7	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.006	20%	0.197	C	C	.	.			trans	-74	142.1	174.1	27.8	-29.2	0	0	0	109.6	L114 P392 C394 C411	P112-L114 HydrophobicContact CB-CD2 3.96Å; P112-L114 HydrophobicContact CB-CG 4.08Å; P112-L114 HydrophobicContact CG-CD1 4.01Å; P112-L114 HydrophobicContact CG-CD2 4.12Å; P112-L114 HydrophobicContact CG-CG 3.85Å; P112-L114 PolarHBondContact O-N 3.31Å; P112-P392 VanDerWaalsContact CD-O 3.28Å; P112-P392 WeakPolarHBondContact CD-O 3.33Å; P112-P392 HydrophobicContact CG-CB 3.65Å; P112-C394 HydrophobicContact CB-CB 4.35Å; P112-C411 HydrophobicContact CB-CB 4.28Å
113	D	95.3	Very high	95.4	Very high	75 Å²	75	38 Å²	38	40%	0.401	19%	0.189	S	C	.	.			trans	-70.8	95.6	167.6	-175.7	16	0	0	0	108.9	R86 R118 T130	R86-D113 PolarHBondContact NH1-O 3.42Å; D113-R118 VanDerWaalsContact CG-NH2 3.29Å; D113-R118 IonicContact OD1-CZ 3.88Å; D113-R118 IonicContact OD1-NE 3.27Å; D113-R118 PolarHBondContact OD1-NE 2.91Å; D113-R118 IonicContact OD1-NH2 3.95Å; D113-R118 PolarHBondContact OD1-NH2 3.16Å; D113-R118 VanDerWaalsContact OD1-NH2 3.16Å; D113-R118 IonicContact OD2-CZ 2.89Å; D113-R118 IonicContact OD2-NE 3.18Å; D113-R118 IonicContact OD2-NH2 2.71Å; D113-R118 PolarHBondContact OD2-NH2 3.08Å; D113-T130 HydrophobicContact CB-CG2 4.03Å
114	L	95.6	Very high	94.9	Very high	4 Å²	4	34.5 Å²	34.5	2%	0.021	17%	0.174	C	C	.	.			trans	-106.6	146.5	176.9	-58	-175.8	0	0	0	109.5	P112 S116 F117 D240 F241 P392	P112-L114 HydrophobicContact CB-CD2 3.96Å; P112-L114 HydrophobicContact CB-CG 4.08Å; P112-L114 HydrophobicContact CG-CD1 4.01Å; P112-L114 HydrophobicContact CG-CD2 4.12Å; P112-L114 HydrophobicContact CG-CG 3.85Å; P112-L114 PolarHBondContact O-N 3.31Å; L114-S116 PolarHBondContact O-N 3.21Å; L114-F117 HydrophobicContact CB-CB 4.42Å; L114-F117 HydrophobicContact CB-CD1 4.39Å; L114-F117 HydrophobicContact CB-CD2 4.16Å; L114-F117 HydrophobicContact CB-CG 4.07Å; L114-F117 HydrophobicContact CD1-CD2 4.22Å; L114-F117 HydrophobicContact CD1-CE1 4.11Å; L114-F117 HydrophobicContact CD1-CE2 3.78Å; L114-F117 HydrophobicContact CD1-CZ 3.71Å; L114-F117 HydrophobicContact CG-CD2 4.29Å; L114-F117 HydrophobicContact CG-CE2 4.28Å; L114-F117 PolarHBondContact O-N 2.92Å; L114-D240 HydrophobicContact CB-CB 4.06Å; L114-D240 HydrophobicContact CD1-CB 4.45Å; L114-D240 HydrophobicContact CD2-CB 4.1Å; L114-D240 HydrophobicContact CG-CB 4.41Å; L114-F241 HydrophobicContact CD2-CE1 4.27Å; L114-F241 HydrophobicContact CD2-CZ 4.11Å; L114-P392 HydrophobicContact CD1-CG 4.35Å
115	Y	95.5	Very high	94.7	Very high	53 Å²	53	32.7 Å²	32.7	21%	0.208	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-45	-177.2	172.5	-110.9	0	0	0	112.3	F117 R118 F119 D240 Q246 M253	Y115-F117 VanDerWaalsContact C-N 3.32Å; Y115-F117 PolarHBondContact O-N 2.78Å; Y115-R118 PolarHBondContact O-N 3.25Å; Y115-F119 HydrophobicContact CD1-CE2 4.22Å; Y115-F119 AromaticContact CD2-CE2 3.99Å; Y115-F119 HydrophobicContact CD2-CE2 3.99Å; Y115-F119 AromaticContact CE1-CE2 3.81Å; Y115-F119 HydrophobicContact CE1-CE2 3.81Å; Y115-F119 HydrophobicContact CE1-CZ 4.42Å; Y115-F119 AromaticContact CE2-CE2 3.54Å; Y115-F119 HydrophobicContact CE2-CE2 3.54Å; Y115-F119 AromaticContact CE2-CZ 3.73Å; Y115-F119 HydrophobicContact CE2-CZ 3.73Å; Y115-F119 HydrophobicContact CG-CE2 4.3Å; Y115-F119 AromaticContact CZ-CE2 3.44Å; Y115-F119 VanDerWaalsContact CZ-CE2 3.44Å; Y115-F119 AromaticContact CZ-CZ 3.65Å; Y115-F119 VanDerWaalsContact O-CD2 3.3Å; Y115-F119 WeakPolarHBondContact O-CD2 3.19Å; Y115-F119 WeakPolarHBondContact O-CE2 3.42Å; Y115-D240 PolarHBondContact N-OD1 3.26Å; Y115-Q246 HydrophobicContact CD1-CB 4.36Å; Y115-Q246 HydrophobicContact CD1-CG 3.74Å; Y115-Q246 HydrophobicContact CD2-CB 4.41Å; Y115-Q246 HydrophobicContact CD2-CG 4.04Å; Y115-Q246 HydrophobicContact CE1-CB 4.07Å; Y115-Q246 HydrophobicContact CE1-CG 3.97Å; Y115-Q246 HydrophobicContact CE2-CB 4.15Å; Y115-Q246 HydrophobicContact CE2-CG 4.26Å; Y115-Q246 HydrophobicContact CG-CG 3.78Å; Y115-M253 HydrophobicContact CD1-CE 3.95Å; Y115-M253 HydrophobicContact CE1-CE 3.72Å
116	S	95.9	Very high	94.6	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-59	-41	177.6	60.2	0	0	0	0	112.1	L114 R118 F119 D240 F256	L114-S116 PolarHBondContact O-N 3.21Å; S116-R118 PolarHBondContact O-N 3.2Å; S116-F119 PolarHBondContact O-N 3.25Å; S116-F119 VanDerWaalsContact O-N 3.15Å; S116-D240 VanDerWaalsContact CB-OD1 3.24Å; S116-D240 WeakPolarHBondContact CB-OD1 3.39Å; S116-D240 PolarHBondContact N-OD1 3.09Å; S116-D240 PolarHBondContact OG-OD1 3.17Å; S116-D240 PolarHBondContact OG-OD2 2.99Å; S116-F256 WeakPolarHBondContact O-CE1 3.16Å
117	F	96.1	Very high	94.5	Very high	9 Å²	9	31.6 Å²	31.6	4%	0.039	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-66.6	-24.1	-175.4	-69.7	4.8	0	0	0	113.1	L114 Y115 F119 I120 F128 I391 P392	L114-F117 HydrophobicContact CB-CB 4.42Å; L114-F117 HydrophobicContact CB-CD1 4.39Å; L114-F117 HydrophobicContact CB-CD2 4.16Å; L114-F117 HydrophobicContact CB-CG 4.07Å; L114-F117 HydrophobicContact CD1-CD2 4.22Å; L114-F117 HydrophobicContact CD1-CE1 4.11Å; L114-F117 HydrophobicContact CD1-CE2 3.78Å; L114-F117 HydrophobicContact CD1-CZ 3.71Å; L114-F117 HydrophobicContact CG-CD2 4.29Å; L114-F117 HydrophobicContact CG-CE2 4.28Å; L114-F117 PolarHBondContact O-N 2.92Å; Y115-F117 VanDerWaalsContact C-N 3.32Å; Y115-F117 PolarHBondContact O-N 2.78Å; F117-F119 PolarHBondContact O-N 2.64Å; F117-I120 HydrophobicContact CD1-CD1 3.97Å; F117-I120 PolarHBondContact O-N 3.02Å; F117-F128 HydrophobicContact CB-CB 4.25Å; F117-F128 HydrophobicContact CD1-CB 4.45Å; F117-F128 AromaticContact CD1-CD1 3.76Å; F117-F128 HydrophobicContact CD1-CD1 3.76Å; F117-F128 HydrophobicContact CD1-CE1 4.47Å; F117-F128 HydrophobicContact CD1-CG 4.46Å; F117-F128 HydrophobicContact CD2-CB 4.08Å; F117-F128 HydrophobicContact CD2-CD1 4.11Å; F117-F128 WeakPolarHBondContact CD2-O 3.32Å; F117-F128 AromaticContact CE1-CD1 3.53Å; F117-F128 HydrophobicContact CE1-CD1 3.53Å; F117-F128 AromaticContact CE1-CE1 3.93Å; F117-F128 HydrophobicContact CE1-CE1 3.93Å; F117-F128 AromaticContact CE2-CD1 3.88Å; F117-F128 HydrophobicContact CE2-CD1 3.88Å; F117-F128 HydrophobicContact CG-CB 4.02Å; F117-F128 HydrophobicContact CG-CD1 4.06Å; F117-F128 HydrophobicContact CG-CG 4.49Å; F117-F128 AromaticContact CZ-CD1 3.59Å; F117-F128 HydrophobicContact CZ-CD1 3.59Å; F117-F128 HydrophobicContact CZ-CE1 4.08Å; F117-I391 HydrophobicContact CE2-CG2 4.14Å; F117-I391 HydrophobicContact CZ-CG2 4.01Å; F117-P392 HydrophobicContact CZ-CG 4.37Å
118	R	94.7	Very high	94.4	Very high	135 Å²	135	31.3 Å²	31.3	51%	0.509	16%	0.16	S	C	.	.	G	3₁₀ helix	trans	-67	-20.2	177.1	-61.9	177.4	-178.5	-178.2	-1.7	113.5	D113 Y115 S116 D122 G123	D113-R118 VanDerWaalsContact CG-NH2 3.29Å; D113-R118 IonicContact OD1-CZ 3.88Å; D113-R118 IonicContact OD1-NE 3.27Å; D113-R118 PolarHBondContact OD1-NE 2.91Å; D113-R118 IonicContact OD1-NH2 3.95Å; D113-R118 PolarHBondContact OD1-NH2 3.16Å; D113-R118 VanDerWaalsContact OD1-NH2 3.16Å; D113-R118 IonicContact OD2-CZ 2.89Å; D113-R118 IonicContact OD2-NE 3.18Å; D113-R118 IonicContact OD2-NH2 2.71Å; D113-R118 PolarHBondContact OD2-NH2 3.08Å; Y115-R118 PolarHBondContact O-N 3.25Å; S116-R118 PolarHBondContact O-N 3.2Å; R118-D122 CarbonylContact O-C 3.49Å; R118-G123 PolarHBondContact O-N 3.07Å; R118-G123 VanDerWaalsContact O-N 3.08Å
119	F	94.9	Very high	94.1	Very high	60 Å²	60	31.6 Å²	31.6	26%	0.263	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-93.9	-6.6	177.8	-58.6	-82.2	0	0	0	113.1	Y115 S116 F117 N121 M253 F256 V257 N260	Y115-F119 HydrophobicContact CD1-CE2 4.22Å; Y115-F119 AromaticContact CD2-CE2 3.99Å; Y115-F119 HydrophobicContact CD2-CE2 3.99Å; Y115-F119 AromaticContact CE1-CE2 3.81Å; Y115-F119 HydrophobicContact CE1-CE2 3.81Å; Y115-F119 HydrophobicContact CE1-CZ 4.42Å; Y115-F119 AromaticContact CE2-CE2 3.54Å; Y115-F119 HydrophobicContact CE2-CE2 3.54Å; Y115-F119 AromaticContact CE2-CZ 3.73Å; Y115-F119 HydrophobicContact CE2-CZ 3.73Å; Y115-F119 HydrophobicContact CG-CE2 4.3Å; Y115-F119 AromaticContact CZ-CE2 3.44Å; Y115-F119 VanDerWaalsContact CZ-CE2 3.44Å; Y115-F119 AromaticContact CZ-CZ 3.65Å; Y115-F119 VanDerWaalsContact O-CD2 3.3Å; Y115-F119 WeakPolarHBondContact O-CD2 3.19Å; Y115-F119 WeakPolarHBondContact O-CE2 3.42Å; S116-F119 PolarHBondContact O-N 3.25Å; S116-F119 VanDerWaalsContact O-N 3.15Å; F117-F119 PolarHBondContact O-N 2.64Å; F119-N121 PolarHBondContact O-N 2.9Å; F119-M253 HydrophobicContact CD2-CE 4.44Å; F119-F256 HydrophobicContact CB-CE1 4.02Å; F119-V257 HydrophobicContact CB-CG2 4.31Å; F119-V257 HydrophobicContact CD1-CG1 4.3Å; F119-V257 HydrophobicContact CD1-CG2 3.73Å; F119-V257 HydrophobicContact CD2-CG2 4.29Å; F119-V257 HydrophobicContact CE1-CG2 4.08Å; F119-V257 HydrophobicContact CG-CG2 3.84Å; F119-V257 HydrophobicContact CZ-CG2 4.49Å; F119-N260 VanDerWaalsContact O-CB 3.32Å; F119-N260 WeakPolarHBondContact O-CB 3.44Å
120	I	94.3	Very high	93.9	Very high	2 Å²	2	35 Å²	35	1%	0.01	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-84.9	114.5	178.9	-53.7	173.3	0	0	0	108.3	F117 D122 G123 F128 F229 T233 F256 N260	F117-I120 HydrophobicContact CD1-CD1 3.97Å; F117-I120 PolarHBondContact O-N 3.02Å; I120-D122 PolarHBondContact O-N 3.4Å; I120-G123 PolarHBondContact O-N 2.91Å; I120-F128 HydrophobicContact CD1-CB 4.03Å; I120-F128 HydrophobicContact CD1-CD1 3.79Å; I120-F128 HydrophobicContact CD1-CD2 3.76Å; I120-F128 HydrophobicContact CD1-CE1 4.14Å; I120-F128 HydrophobicContact CD1-CE2 4.14Å; I120-F128 HydrophobicContact CD1-CG 3.59Å; I120-F128 HydrophobicContact CD1-CZ 4.31Å; I120-F128 HydrophobicContact CG2-CD2 3.94Å; I120-F128 HydrophobicContact CG2-CE2 4.49Å; I120-F229 HydrophobicContact CD1-CE2 4.11Å; I120-F229 HydrophobicContact CD1-CZ 3.91Å; I120-F229 HydrophobicContact CG1-CE2 4.04Å; I120-F229 HydrophobicContact CG1-CZ 4.32Å; I120-F229 HydrophobicContact CG2-CE2 4.14Å; I120-F229 HydrophobicContact CG2-CZ 4.26Å; I120-T233 HydrophobicContact CD1-CG2 3.77Å; I120-F256 HydrophobicContact CD1-CZ 4.06Å; I120-F256 HydrophobicContact CG1-CE1 4.43Å; I120-F256 HydrophobicContact CG1-CZ 3.66Å; I120-N260 WeakPolarHBondContact CA-OD1 3.25Å
121	N	89.8	Confident	93.4	Very high	8 Å²	8	36.5 Å²	36.5	4%	0.043	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	48.7	45.8	-176.4	-178.4	42.3	0	0	0	111.9	F119 G123 K124 G314	F119-N121 PolarHBondContact O-N 2.9Å; N121-G123 PolarHBondContact O-N 3.37Å; N121-G123 VanDerWaalsContact O-N 3.08Å; N121-K124 PolarHBondContact ND2-O 3.26Å; N121-K124 WeakPolarHBondContact O-CB 3.32Å; N121-K124 PolarHBondContact O-N 2.96Å; N121-G314 WeakPolarHBondContact ND2-CA 3.44Å
122	D	87.3	Confident	92.8	Very high	106 Å²	106	42.6 Å²	42.6	57%	0.567	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	52	34	-177.6	-54.9	-33.1	0	0	0	114.2	R118 I120 K124	R118-D122 CarbonylContact O-C 3.49Å; I120-D122 PolarHBondContact O-N 3.4Å; D122-K124 VanDerWaalsContact C-N 3.28Å; D122-K124 PolarHBondContact O-N 3Å
123	G	89.4	Confident	92.4	Very high	28 Å²	28	45 Å²	45	29%	0.289	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	79.3	6.2	-179.2	0	0	0	0	0	114.2	R118 I120 N121 S129	R118-G123 PolarHBondContact O-N 3.07Å; R118-G123 VanDerWaalsContact O-N 3.08Å; I120-G123 PolarHBondContact O-N 2.91Å; N121-G123 PolarHBondContact O-N 3.37Å; N121-G123 VanDerWaalsContact O-N 3.08Å; G123-S129 WeakPolarHBondContact O-CB 3.43Å
124	K	88.2	Confident	92	Very high	72 Å²	72	43.5 Å²	43.5	31%	0.313	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	8.1	-175.4	-56.3	173.8	-171.8	175	0	113.2	N121 D122 R139 E310	N121-K124 PolarHBondContact ND2-O 3.26Å; N121-K124 WeakPolarHBondContact O-CB 3.32Å; N121-K124 PolarHBondContact O-N 2.96Å; D122-K124 VanDerWaalsContact C-N 3.28Å; D122-K124 PolarHBondContact O-N 3Å; K124-R139 VanDerWaalsContact O-CZ 3.3Å; K124-R139 PolarHBondContact O-NH1 3.29Å; K124-R139 PolarHBondContact O-NH2 2.81Å; K124-E310 IonicContact NZ-OE1 3.3Å; K124-E310 PolarHBondContact NZ-OE1 3.4Å; K124-E310 IonicContact NZ-OE2 2.97Å; K124-E310 PolarHBondContact NZ-OE2 3.12Å
125	S	93.2	Very high	91.6	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.007	25%	0.249	C	C	.	.			trans	-55.5	138.6	177.8	169.5	0	0	0	0	113.1	A127 F128 S129 D318	S125-A127 VanDerWaalsContact C-N 3.32Å; S125-A127 PolarHBondContact O-N 2.67Å; S125-A127 PolarHBondContact OG-N 3.36Å; S125-F128 WeakPolarHBondContact OG-CD2 3.42Å; S125-F128 PolarHBondContact OG-N 2.81Å; S125-S129 WeakPolarHBondContact O-CB 3.18Å; S125-S129 PolarHBondContact O-N 2.78Å; S125-S129 VanDerWaalsContact O-N 3.07Å; S125-S129 PolarHBondContact O-OG 3.1Å; S125-D318 WeakPolarHBondContact CB-OD1 3.23Å; S125-D318 PolarHBondContact OG-OD1 2.96Å; S125-D318 PolarHBondContact OG-OD2 3.49Å
126	L	93.4	Very high	91.4	Very high	10 Å²	10	43.5 Å²	43.5	5%	0.052	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-34.9	175.8	174.7	68	0	0	0	112.2	W136 R139 R140 A143 D318 R461	L126-W136 VanDerWaalsContact O-CD1 3.3Å; L126-W136 PolarHBondContact O-NE1 3.33Å; L126-R139 HydrophobicContact CD1-CB 3.63Å; L126-R140 HydrophobicContact CD1-CB 4.14Å; L126-A143 HydrophobicContact CD2-CB 3.79Å; L126-D318 VanDerWaalsContact CA-OD2 3.29Å; L126-D318 WeakPolarHBondContact CA-OD2 3.34Å; L126-D318 HydrophobicContact CB-CB 4.45Å; L126-D318 VanDerWaalsContact CB-OD2 3.25Å; L126-D318 WeakPolarHBondContact CB-OD2 3.36Å; L126-D318 PolarHBondContact N-OD2 3.41Å; L126-R461 PolarHBondContact O-NH1 2.97Å
127	A	94.9	Very high	91.2	Very high	29 Å²	29	49.2 Å²	49.2	24%	0.24	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-37.3	-175.8	0	0	0	0	0	112.1	R111 S125 D318 I391	R111-A127 PolarHBondContact NE-O 3.07Å; R111-A127 PolarHBondContact NH2-O 2.78Å; S125-A127 VanDerWaalsContact C-N 3.32Å; S125-A127 PolarHBondContact O-N 2.67Å; S125-A127 PolarHBondContact OG-N 3.36Å; A127-D318 WeakPolarHBondContact CB-OD2 3.33Å; A127-D318 PolarHBondContact N-OD2 3Å; A127-I391 HydrophobicContact CB-CD1 4.12Å
128	F	95.9	Very high	90.9	Very high	16 Å²	16	50 Å²	50	7%	0.07	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	-19.7	-168.6	-63.4	-83.5	0	0	0	115.1	F117 I120 S125 F229 T233 I391 L502	F117-F128 HydrophobicContact CB-CB 4.25Å; F117-F128 HydrophobicContact CD1-CB 4.45Å; F117-F128 AromaticContact CD1-CD1 3.76Å; F117-F128 HydrophobicContact CD1-CD1 3.76Å; F117-F128 HydrophobicContact CD1-CE1 4.47Å; F117-F128 HydrophobicContact CD1-CG 4.46Å; F117-F128 HydrophobicContact CD2-CB 4.08Å; F117-F128 HydrophobicContact CD2-CD1 4.11Å; F117-F128 WeakPolarHBondContact CD2-O 3.32Å; F117-F128 AromaticContact CE1-CD1 3.53Å; F117-F128 HydrophobicContact CE1-CD1 3.53Å; F117-F128 AromaticContact CE1-CE1 3.93Å; F117-F128 HydrophobicContact CE1-CE1 3.93Å; F117-F128 AromaticContact CE2-CD1 3.88Å; F117-F128 HydrophobicContact CE2-CD1 3.88Å; F117-F128 HydrophobicContact CG-CB 4.02Å; F117-F128 HydrophobicContact CG-CD1 4.06Å; F117-F128 HydrophobicContact CG-CG 4.49Å; F117-F128 AromaticContact CZ-CD1 3.59Å; F117-F128 HydrophobicContact CZ-CD1 3.59Å; F117-F128 HydrophobicContact CZ-CE1 4.08Å; I120-F128 HydrophobicContact CD1-CB 4.03Å; I120-F128 HydrophobicContact CD1-CD1 3.79Å; I120-F128 HydrophobicContact CD1-CD2 3.76Å; I120-F128 HydrophobicContact CD1-CE1 4.14Å; I120-F128 HydrophobicContact CD1-CE2 4.14Å; I120-F128 HydrophobicContact CD1-CG 3.59Å; I120-F128 HydrophobicContact CD1-CZ 4.31Å; I120-F128 HydrophobicContact CG2-CD2 3.94Å; I120-F128 HydrophobicContact CG2-CE2 4.49Å; S125-F128 WeakPolarHBondContact OG-CD2 3.42Å; S125-F128 PolarHBondContact OG-N 2.81Å; F128-F229 HydrophobicContact CE2-CE1 4.46Å; F128-F229 HydrophobicContact CE2-CZ 4.01Å; F128-F229 HydrophobicContact CZ-CE1 4.21Å; F128-F229 HydrophobicContact CZ-CZ 4.12Å; F128-T233 HydrophobicContact CE1-CG2 4.49Å; F128-I391 HydrophobicContact CD1-CD1 4.24Å; F128-I391 HydrophobicContact CD1-CG2 3.88Å; F128-I391 HydrophobicContact CE1-CD1 3.65Å; F128-I391 HydrophobicContact CE1-CG1 3.88Å; F128-I391 HydrophobicContact CE1-CG2 3.89Å; F128-I391 HydrophobicContact CE2-CD1 4.18Å; F128-I391 HydrophobicContact CZ-CD1 3.61Å; F128-I391 HydrophobicContact CZ-CG1 4.18Å; F128-L502 HydrophobicContact CE1-CD2 4.34Å; F128-L502 HydrophobicContact CZ-CD2 3.87Å
129	S	93.5	Very high	90.7	Very high	6 Å²	6	44 Å²	44	4%	0.042	25%	0.248	C	C	.	.			trans	-72.2	161.7	-175.8	83.3	0	0	0	0	114	R111 G123 S125 D131	R111-S129 WeakPolarHBondContact CB-O 3.23Å; R111-S129 WeakPolarHBondContact CG-O 3.41Å; G123-S129 WeakPolarHBondContact O-CB 3.43Å; S125-S129 WeakPolarHBondContact O-CB 3.18Å; S125-S129 PolarHBondContact O-N 2.78Å; S125-S129 VanDerWaalsContact O-N 3.07Å; S125-S129 PolarHBondContact O-OG 3.1Å; S129-D131 PolarHBondContact O-N 3.23Å; S129-D131 WeakPolarHBondContact OG-CB 3.27Å; S129-D131 PolarHBondContact OG-N 3.46Å; S129-D131 PolarHBondContact OG-OD1 3.37Å
130	T	93	Very high	90.7	Very high	85 Å²	85	43.8 Å²	43.8	52%	0.521	25%	0.246	S	C	.	.			trans	-89.7	25.9	173.7	53.6	0	0	0	0	112.6	D113	D113-T130 HydrophobicContact CB-CG2 4.03Å
131	D	85.9	Confident	90.6	Very high	45 Å²	45	51.3 Å²	51.3	24%	0.241	28%	0.278	C	S	.	.			trans	-48.2	144.8	-178.6	-86.4	20.2	0	0	0	112.5	S129 A133 W136 R139	S129-D131 PolarHBondContact O-N 3.23Å; S129-D131 WeakPolarHBondContact OG-CB 3.27Å; S129-D131 PolarHBondContact OG-N 3.46Å; S129-D131 PolarHBondContact OG-OD1 3.37Å; D131-A133 PolarHBondContact O-N 2.75Å; D131-W136 HydrophobicContact CB-CB 3.93Å; D131-R139 IonicContact OD1-NH1 2.98Å; D131-R139 IonicContact OD2-CZ 3.45Å; D131-R139 IonicContact OD2-NH1 3.16Å; D131-R139 PolarHBondContact OD2-NH1 3.07Å
132	Q	85.9	Confident	90.6	Very high	149 Å²	149	52.2 Å²	52.2	70%	0.696	28%	0.283	S	S	*	.			trans	-54.7	138.4	169.2	-66.7	-173.7	-7.4	0	0	110.4	G134 I135 W136	Q132-G134 PolarHBondContact O-N 2.79Å; Q132-G134 VanDerWaalsContact O-N 3.08Å; Q132-I135 HydrophobicContact CB-CD1 4.25Å; Q132-I135 HydrophobicContact CB-CG1 4.43Å; Q132-I135 PolarHBondContact O-N 2.81Å; Q132-W136 PolarHBondContact O-N 2.82Å
133	A	86.9	Confident	90.9	Very high	53 Å²	53	47.2 Å²	47.2	44%	0.438	26%	0.256	S	S	.	.	H	α-helix	trans	-53.8	-37.6	-172.3	0	0	0	0	0	113.7	D131 R137	D131-A133 PolarHBondContact O-N 2.75Å; A133-R137 VanDerWaalsContact O-CB 3.31Å; A133-R137 WeakPolarHBondContact O-CB 3.17Å; A133-R137 WeakPolarHBondContact O-CG 3.34Å; A133-R137 PolarHBondContact O-N 2.91Å
134	G	87.3	Confident	91.2	Very high	43 Å²	43	51 Å²	51	44%	0.443	26%	0.263	S	S	.	.	H	α-helix	trans	-65	-46.3	177.3	0	0	0	0	0	113.3	Q132 R137 A138	Q132-G134 PolarHBondContact O-N 2.79Å; Q132-G134 VanDerWaalsContact O-N 3.08Å; G134-R137 PolarHBondContact O-N 3.33Å; G134-A138 PolarHBondContact O-N 2.86Å; G134-A138 VanDerWaalsContact O-N 3.09Å
135	I	87.5	Confident	91.3	Very high	48 Å²	48	50.6 Å²	50.6	25%	0.246	27%	0.269	C	S	.	.	H	α-helix	trans	-64.5	-48.2	178.5	-62.1	174.5	0	0	0	109.9	Q132 R137 A138 R139	Q132-I135 HydrophobicContact CB-CD1 4.25Å; Q132-I135 HydrophobicContact CB-CG1 4.43Å; Q132-I135 PolarHBondContact O-N 2.81Å; I135-R137 PolarHBondContact O-N 3Å; I135-A138 PolarHBondContact O-N 3.28Å; I135-R139 HydrophobicContact CG2-CG 4.47Å; I135-R139 WeakPolarHBondContact O-CG 3.08Å; I135-R139 PolarHBondContact O-N 2.77Å
136	W	91.8	Very high	91.3	Very high	9 Å²	9	50.7 Å²	50.7	3%	0.034	27%	0.27	C	S	.	.	H	α-helix	trans	-59.8	-45.1	178	169	77.7	0	0	0	112.1	L126 D131 Q132 A138 R139 R140 R460 R461	L126-W136 VanDerWaalsContact O-CD1 3.3Å; L126-W136 PolarHBondContact O-NE1 3.33Å; D131-W136 HydrophobicContact CB-CB 3.93Å; Q132-W136 PolarHBondContact O-N 2.82Å; W136-A138 VanDerWaalsContact C-N 3.33Å; W136-A138 PolarHBondContact O-N 3.42Å; W136-R139 PolarHBondContact O-N 2.79Å; W136-R140 HydrophobicContact CZ2-CG 4.49Å; W136-R140 VanDerWaalsContact O-CB 3.24Å; W136-R140 WeakPolarHBondContact O-CB 3.5Å; W136-R140 PolarHBondContact O-N 3.37Å; W136-R460 HydrophobicContact CH2-CB 4.17Å; W136-R460 VanDerWaalsContact CH2-O 3.29Å; W136-R460 WeakPolarHBondContact CH2-O 3.47Å; W136-R461 VanDerWaalsContact CE2-CZ 3.44Å; W136-R461 HydrophobicContact CH2-CG 4.36Å; W136-R461 VanDerWaalsContact CZ2-CD 3.45Å; W136-R461 HydrophobicContact CZ2-CG 4.19Å
137	R	91.8	Very high	91.3	Very high	119 Å²	119	50.6 Å²	50.6	45%	0.449	27%	0.27	S	S	.	.	H	α-helix	trans	-59.8	-42.4	177.3	-78.5	173.9	-171.1	158.3	-0.3	111.8	D106 A133 G134 I135 K141	D106-R137 IonicContact OD1-CZ 2.75Å; D106-R137 IonicContact OD1-NH2 3.91Å; D106-R137 PolarHBondContact OD1-NH2 3Å; A133-R137 VanDerWaalsContact O-CB 3.31Å; A133-R137 WeakPolarHBondContact O-CB 3.17Å; A133-R137 WeakPolarHBondContact O-CG 3.34Å; A133-R137 PolarHBondContact O-N 2.91Å; G134-R137 PolarHBondContact O-N 3.33Å; I135-R137 PolarHBondContact O-N 3Å; R137-K141 WeakPolarHBondContact O-CB 3.35Å; R137-K141 PolarHBondContact O-N 3.45Å
138	A	89.6	Confident	91	Very high	27 Å²	27	56.6 Å²	56.6	22%	0.223	29%	0.286	C	S	.	.	H	α-helix	trans	-62.6	-52.5	177.4	0	0	0	0	0	111.2	G134 I135 W136 R140 K141 L142 I305	G134-A138 PolarHBondContact O-N 2.86Å; G134-A138 VanDerWaalsContact O-N 3.09Å; I135-A138 PolarHBondContact O-N 3.28Å; W136-A138 VanDerWaalsContact C-N 3.33Å; W136-A138 PolarHBondContact O-N 3.42Å; A138-R140 VanDerWaalsContact C-N 3.32Å; A138-R140 PolarHBondContact O-N 3.48Å; A138-K141 PolarHBondContact O-N 3.09Å; A138-K141 VanDerWaalsContact O-N 3.16Å; A138-L142 WeakPolarHBondContact O-CG 3.34Å; A138-L142 PolarHBondContact O-N 3.17Å; A138-L142 VanDerWaalsContact O-N 3.09Å; A138-I305 HydrophobicContact CB-CD1 4.35Å
139	R	90.4	Very high	90.7	Very high	7 Å²	7	58.3 Å²	58.3	3%	0.026	30%	0.3	C	S	.	.	H	α-helix	trans	-58.7	-42.8	178.1	-66.1	172.9	64.4	-165.1	0.5	112.1	K124 L126 D131 I135 W136 L142 A143 I315	K124-R139 VanDerWaalsContact O-CZ 3.3Å; K124-R139 PolarHBondContact O-NH1 3.29Å; K124-R139 PolarHBondContact O-NH2 2.81Å; L126-R139 HydrophobicContact CD1-CB 3.63Å; D131-R139 IonicContact OD1-NH1 2.98Å; D131-R139 IonicContact OD2-CZ 3.45Å; D131-R139 IonicContact OD2-NH1 3.16Å; D131-R139 PolarHBondContact OD2-NH1 3.07Å; I135-R139 HydrophobicContact CG2-CG 4.47Å; I135-R139 WeakPolarHBondContact O-CG 3.08Å; I135-R139 PolarHBondContact O-N 2.77Å; W136-R139 PolarHBondContact O-N 2.79Å; R139-L142 PolarHBondContact O-N 3.44Å; R139-A143 PolarHBondContact O-N 3.42Å; R139-I315 HydrophobicContact CB-CD1 4.23Å
140	R	93.9	Very high	90.4	Very high	56 Å²	56	58.8 Å²	58.8	21%	0.211	30%	0.301	C	S	.	.	H	α-helix	trans	-62.4	-42.4	177	178.4	173.5	171.1	96.7	1.9	112.2	L126 W136 A138 L142 A143 Y144 R460 R462 I464	L126-R140 HydrophobicContact CD1-CB 4.14Å; W136-R140 HydrophobicContact CZ2-CG 4.49Å; W136-R140 VanDerWaalsContact O-CB 3.24Å; W136-R140 WeakPolarHBondContact O-CB 3.5Å; W136-R140 PolarHBondContact O-N 3.37Å; A138-R140 VanDerWaalsContact C-N 3.32Å; A138-R140 PolarHBondContact O-N 3.48Å; R140-L142 VanDerWaalsContact C-N 3.3Å; R140-L142 PolarHBondContact O-N 3.11Å; R140-A143 PolarHBondContact O-N 2.6Å; R140-Y144 VanDerWaalsContact O-CB 3.31Å; R140-Y144 WeakPolarHBondContact O-CB 3.38Å; R140-Y144 PolarHBondContact O-N 3.03Å; R140-R460 PolarHBondContact NE-O 3.48Å; R140-R460 PolarHBondContact NH2-O 2.93Å; R140-R462 VanDerWaalsContact CZ-O 3.28Å; R140-R462 PolarHBondContact NH1-O 2.77Å; R140-R462 PolarHBondContact NH2-O 2.66Å; R140-I464 HydrophobicContact CG-CG2 4.17Å
141	K	92.6	Very high	90.1	Very high	160 Å²	160	55.7 Å²	55.7	70%	0.696	28%	0.283	S	S	*	.	H	α-helix	trans	-61.2	-41.9	177.1	-174.9	-178.3	177.3	-172.5	0	110.7	R137 A138 S145	R137-K141 WeakPolarHBondContact O-CB 3.35Å; R137-K141 PolarHBondContact O-N 3.45Å; A138-K141 PolarHBondContact O-N 3.09Å; A138-K141 VanDerWaalsContact O-N 3.16Å; K141-S145 VanDerWaalsContact O-CB 3.28Å; K141-S145 WeakPolarHBondContact O-CB 3.35Å; K141-S145 PolarHBondContact O-N 2.64Å
142	L	90.9	Very high	90.1	Very high	28 Å²	28	57 Å²	57	15%	0.147	30%	0.296	C	S	.	.	H	α-helix	trans	-65	-50.4	177.6	-63.3	172.8	0	0	0	111.9	A138 R139 R140 Y144 S145 A146 L290 H293 M307	A138-L142 WeakPolarHBondContact O-CG 3.34Å; A138-L142 PolarHBondContact O-N 3.17Å; A138-L142 VanDerWaalsContact O-N 3.09Å; R139-L142 PolarHBondContact O-N 3.44Å; R140-L142 VanDerWaalsContact C-N 3.3Å; R140-L142 PolarHBondContact O-N 3.11Å; L142-Y144 VanDerWaalsContact C-N 3.31Å; L142-Y144 PolarHBondContact O-N 3.04Å; L142-S145 PolarHBondContact O-N 3.07Å; L142-A146 WeakPolarHBondContact O-CB 3.3Å; L142-A146 PolarHBondContact O-N 3.15Å; L142-L290 HydrophobicContact CB-CD2 4.17Å; L142-H293 VanDerWaalsContact CD1-CE1 3.46Å; L142-H293 WeakPolarHBondContact CD1-CE1 3.49Å; L142-H293 WeakPolarHBondContact CD2-CE1 3.44Å; L142-H293 WeakPolarHBondContact CD2-NE2 3.29Å; L142-M307 HydrophobicContact CD1-CE 3.62Å; L142-M307 HydrophobicContact CD1-SD 3.45Å; L142-M307 WeakPolarHBondContact CD1-SD 3.17Å
143	A	93.6	Very high	90.1	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-55.6	-46.4	176.2	0	0	0	0	0	111.9	L126 R139 R140 L147 I315 L319 I464	L126-A143 HydrophobicContact CD2-CB 3.79Å; R139-A143 PolarHBondContact O-N 3.42Å; R140-A143 PolarHBondContact O-N 2.6Å; A143-L147 WeakPolarHBondContact O-CB 3.3Å; A143-L147 WeakPolarHBondContact O-CG 3.44Å; A143-L147 PolarHBondContact O-N 3.43Å; A143-I315 HydrophobicContact CB-CG2 3.57Å; A143-L319 HydrophobicContact CB-CD2 4.48Å; A143-I464 HydrophobicContact CB-CD1 3.84Å
144	Y	94.2	Very high	90	Very high	107 Å²	107	57.8 Å²	57.8	42%	0.42	30%	0.297	S	S	.	.	H	α-helix	trans	-65.3	-42.4	178.2	179.4	-103.2	0	0	0	112.6	R140 L142 R148 I464	R140-Y144 VanDerWaalsContact O-CB 3.31Å; R140-Y144 WeakPolarHBondContact O-CB 3.38Å; R140-Y144 PolarHBondContact O-N 3.03Å; L142-Y144 VanDerWaalsContact C-N 3.31Å; L142-Y144 PolarHBondContact O-N 3.04Å; Y144-R148 WeakPolarHBondContact O-CB 3.35Å; Y144-R148 PolarHBondContact O-N 3Å; Y144-I464 HydrophobicContact CD2-CB 4Å; Y144-I464 HydrophobicContact CD2-CG2 4.22Å
145	S	91.8	Very high	89.7	Confident	65 Å²	65	56.5 Å²	56.5	46%	0.455	28%	0.284	S	S	.	.	H	α-helix	trans	-63.3	-47	178.2	-166	0	0	0	0	111.2	K141 L142 R148 S149	K141-S145 VanDerWaalsContact O-CB 3.28Å; K141-S145 WeakPolarHBondContact O-CB 3.35Å; K141-S145 PolarHBondContact O-N 2.64Å; L142-S145 PolarHBondContact O-N 3.07Å; S145-R148 PolarHBondContact O-N 3.47Å; S145-S149 PolarHBondContact O-N 2.93Å; S145-S149 PolarHBondContact O-OG 2.86Å; S145-S149 VanDerWaalsContact O-OG 3.1Å
146	A	92.1	Very high	89.4	Confident	3 Å²	3	62.8 Å²	62.8	3%	0.025	31%	0.309	C	S	.	.	H	α-helix	trans	-63.2	-49.1	179.1	0	0	0	0	0	111.3	L142 R148 S149 F150 I286	L142-A146 WeakPolarHBondContact O-CB 3.3Å; L142-A146 PolarHBondContact O-N 3.15Å; A146-R148 VanDerWaalsContact C-N 3.3Å; A146-R148 PolarHBondContact O-N 3.19Å; A146-S149 PolarHBondContact O-N 3.36Å; A146-F150 WeakPolarHBondContact O-CD2 3.11Å; A146-F150 PolarHBondContact O-N 3.4Å; A146-I286 HydrophobicContact CB-CG1 4.33Å; A146-I286 HydrophobicContact CB-CG2 3.89Å
147	L	92.7	Very high	89.1	Confident	8 Å²	8	65.6 Å²	65.6	4%	0.042	33%	0.325	C	S	.	.	H	α-helix	trans	-52.9	-48.9	174.4	-80.8	176.1	0	0	0	111.8	A143 S151 I286 L319 I464 I468	A143-L147 WeakPolarHBondContact O-CB 3.3Å; A143-L147 WeakPolarHBondContact O-CG 3.44Å; A143-L147 PolarHBondContact O-N 3.43Å; L147-S151 WeakPolarHBondContact O-CB 3.24Å; L147-S151 PolarHBondContact O-N 3.4Å; L147-S151 PolarHBondContact O-OG 3.28Å; L147-I286 HydrophobicContact CD2-CD1 3.81Å; L147-I286 HydrophobicContact CG-CD1 4.49Å; L147-L319 HydrophobicContact CD1-CD2 3.51Å; L147-L319 HydrophobicContact CD2-CD1 4.04Å; L147-L319 HydrophobicContact CD2-CD2 4.01Å; L147-L319 HydrophobicContact CG-CD1 3.99Å; L147-L319 HydrophobicContact CG-CD2 3.82Å; L147-I464 HydrophobicContact CD1-CB 4.34Å; L147-I464 HydrophobicContact CD1-CD1 3.84Å; L147-I464 HydrophobicContact CD1-CG1 3.84Å; L147-I468 HydrophobicContact CB-CD1 4.06Å; L147-I468 HydrophobicContact CD2-CD1 3.76Å; L147-I468 HydrophobicContact CG-CD1 4.35Å
148	R	90.3	Very high	88.7	Confident	155 Å²	155	66.3 Å²	66.3	59%	0.585	35%	0.345	S	S	*	.	H	α-helix	trans	-60.9	-50.6	-179	-177.6	175.6	176.5	158.6	-1.8	110.9	Y144 S145 A146 F150 S151 S152	Y144-R148 WeakPolarHBondContact O-CB 3.35Å; Y144-R148 PolarHBondContact O-N 3Å; S145-R148 PolarHBondContact O-N 3.47Å; A146-R148 VanDerWaalsContact C-N 3.3Å; A146-R148 PolarHBondContact O-N 3.19Å; R148-F150 PolarHBondContact O-N 3.47Å; R148-S151 WeakPolarHBondContact CA-OG 3.41Å; R148-S151 PolarHBondContact O-N 3.24Å; R148-S151 PolarHBondContact O-OG 2.96Å; R148-S152 WeakPolarHBondContact O-CB 3.23Å; R148-S152 PolarHBondContact O-N 3.42Å; R148-S152 VanDerWaalsContact O-N 3.14Å; R148-S152 PolarHBondContact O-OG 3.29Å
149	S	88.6	Confident	88.5	Confident	51 Å²	51	70.8 Å²	70.8	36%	0.357	36%	0.361	S	S	.	.	H	α-helix	trans	-52.5	-59.4	179.1	-65	0	0	0	0	110.6	S145 A146 S151 S152 L153	S145-S149 PolarHBondContact O-N 2.93Å; S145-S149 PolarHBondContact O-OG 2.86Å; S145-S149 VanDerWaalsContact O-OG 3.1Å; A146-S149 PolarHBondContact O-N 3.36Å; S149-S151 VanDerWaalsContact C-N 3.31Å; S149-S151 PolarHBondContact O-N 2.67Å; S149-S152 CarbonylContact O-C 3.59Å; S149-S152 PolarHBondContact O-N 3.27Å; S149-S152 PolarHBondContact O-OG 2.95Å; S149-S152 VanDerWaalsContact O-OG 3.08Å; S149-L153 WeakPolarHBondContact O-CG 3.43Å; S149-L153 PolarHBondContact O-N 3.44Å
150	F	88.2	Confident	88.4	Confident	16 Å²	16	72.5 Å²	72.5	7%	0.07	37%	0.368	C	S	.	.	H	α-helix	trans	-68.1	-26	-176.3	-75.4	-84.2	0	0	0	114.5	A146 R148 S152 L153 M206 I283 D285 I286	A146-F150 WeakPolarHBondContact O-CD2 3.11Å; A146-F150 PolarHBondContact O-N 3.4Å; R148-F150 PolarHBondContact O-N 3.47Å; F150-S152 VanDerWaalsContact C-N 3.28Å; F150-S152 PolarHBondContact O-N 3.07Å; F150-L153 HydrophobicContact CD1-CD1 3.55Å; F150-L153 HydrophobicContact CE1-CD1 3.72Å; F150-L153 HydrophobicContact CG-CD1 4.21Å; F150-M206 HydrophobicContact CB-CE 4.26Å; F150-I283 HydrophobicContact CZ-CG2 3.88Å; F150-D285 VanDerWaalsContact CE1-C 3.5Å; F150-D285 VanDerWaalsContact CE2-C 3.49Å; F150-D285 WeakPolarHBondContact CE2-O 3.4Å; F150-D285 WeakPolarHBondContact CZ-O 3.41Å; F150-I286 HydrophobicContact CB-CD1 4.44Å; F150-I286 HydrophobicContact CB-CG1 4Å; F150-I286 HydrophobicContact CD2-CB 4.38Å; F150-I286 HydrophobicContact CD2-CG1 3.54Å; F150-I286 HydrophobicContact CE2-CG1 4.32Å; F150-I286 HydrophobicContact CG-CG1 3.87Å
151	S	85.7	Confident	88.2	Confident	21 Å²	21	73.4 Å²	73.4	15%	0.147	38%	0.382	C	S	.	.	H	α-helix	trans	-74.2	-19	173	69.8	0	0	0	0	114.1	L147 R148 S149 C162	L147-S151 WeakPolarHBondContact O-CB 3.24Å; L147-S151 PolarHBondContact O-N 3.4Å; L147-S151 PolarHBondContact O-OG 3.28Å; R148-S151 WeakPolarHBondContact CA-OG 3.41Å; R148-S151 PolarHBondContact O-N 3.24Å; R148-S151 PolarHBondContact O-OG 2.96Å; S149-S151 VanDerWaalsContact C-N 3.31Å; S149-S151 PolarHBondContact O-N 2.67Å; S151-C162 WeakPolarHBondContact O-CB 3.4Å; S151-C162 PolarHBondContact O-SG 3.05Å
152	S	85.3	Confident	88.2	Confident	72 Å²	72	66.3 Å²	66.3	50%	0.503	35%	0.353	S	S	.	.	H	α-helix	trans	-114.4	-5.3	-175.1	66.5	0	0	0	0	114.2	R148 S149 F150 N154	R148-S152 WeakPolarHBondContact O-CB 3.23Å; R148-S152 PolarHBondContact O-N 3.42Å; R148-S152 VanDerWaalsContact O-N 3.14Å; R148-S152 PolarHBondContact O-OG 3.29Å; S149-S152 CarbonylContact O-C 3.59Å; S149-S152 PolarHBondContact O-N 3.27Å; S149-S152 PolarHBondContact O-OG 2.95Å; S149-S152 VanDerWaalsContact O-OG 3.08Å; F150-S152 VanDerWaalsContact C-N 3.28Å; F150-S152 PolarHBondContact O-N 3.07Å; S152-N154 PolarHBondContact O-N 2.88Å
153	L	86.5	Confident	88.2	Confident	80 Å²	80	66 Å²	66	42%	0.419	35%	0.352	S	S	.	.	S	Bend	trans	-57.7	138.4	170.8	-74.4	177.6	0	0	0	109.2	S149 F150 C162 V163	S149-L153 WeakPolarHBondContact O-CG 3.43Å; S149-L153 PolarHBondContact O-N 3.44Å; F150-L153 HydrophobicContact CD1-CD1 3.55Å; F150-L153 HydrophobicContact CE1-CD1 3.72Å; F150-L153 HydrophobicContact CG-CD1 4.21Å; L153-C162 CarbonylContact O-C 3.47Å; L153-C162 WeakPolarHBondContact O-CA 3.4Å; L153-C162 VanDerWaalsContact O-CB 3.25Å; L153-C162 WeakPolarHBondContact O-CB 3.28Å; L153-V163 HydrophobicContact CB-CB 4.49Å; L153-V163 HydrophobicContact CB-CG2 3.79Å; L153-V163 PolarHBondContact O-N 3.38Å
154	N	84.8	Confident	88.3	Confident	139 Å²	139	66 Å²	66	74%	0.743	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-54.7	140.2	177	-65.8	-22.5	0	0	0	110.4	S152 V163	S152-N154 PolarHBondContact O-N 2.88Å; N154-V163 WeakPolarHBondContact O-CG2 3.3Å
155	G	80.6	Confident	88.4	Confident	16 Å²	16	61.1 Å²	61.1	17%	0.165	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-56.1	148.1	172.5	0	0	0	0	0	111	L157	G155-L157 PolarHBondContact O-N 2.67Å
156	K	82.5	Confident	88.5	Confident	180 Å²	180	58.6 Å²	58.6	78%	0.783	31%	0.314	S	S	*	.	S	Bend	trans	-67.7	-32	174.2	-65.7	180	178.5	176.6	0	110.8	E166	K156-E166 WeakPolarHBondContact CB-OE2 3.5Å; K156-E166 PolarHBondContact N-OE2 2.78Å
157	L	84.6	Confident	88.7	Confident	67 Å²	67	60.8 Å²	60.8	35%	0.351	32%	0.324	S	S	.	.	S	Bend	trans	-96.5	139	174.4	-64.6	170.9	0	0	0	110.2	G155 E159 Y160	G155-L157 PolarHBondContact O-N 2.67Å; L157-E159 HydrophobicContact CB-CG 4.05Å; L157-E159 PolarHBondContact O-N 3.4Å; L157-E159 VanDerWaalsContact O-N 3.08Å; L157-Y160 HydrophobicContact CB-CD2 3.93Å; L157-Y160 HydrophobicContact CB-CE2 4.11Å; L157-Y160 HydrophobicContact CD1-CD2 4.46Å; L157-Y160 HydrophobicContact CD1-CE2 3.9Å; L157-Y160 PolarHBondContact O-N 2.97Å
158	P	83.8	Confident	88.9	Confident	134 Å²	134	60.4 Å²	60.4	87%	0.87	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-19.2	-176.5	-22.8	32.8	0	0	0	115	Y160	P158-Y160 VanDerWaalsContact C-N 3.34Å
159	E	84.8	Confident	89.2	Confident	121 Å²	121	53.1 Å²	53.1	57%	0.565	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-18	-179.1	66.7	-154.7	-141.8	0	0	113.9	L157	L157-E159 HydrophobicContact CB-CG 4.05Å; L157-E159 PolarHBondContact O-N 3.4Å; L157-E159 VanDerWaalsContact O-N 3.08Å
160	Y	89.7	Confident	89.5	Confident	44 Å²	44	54.6 Å²	54.6	17%	0.173	30%	0.295	C	S	.	.			trans	-107.9	134	-179.8	-54	-61.5	0	0	0	111.4	L157 P158 C162 E165 E166 C169	L157-Y160 HydrophobicContact CB-CD2 3.93Å; L157-Y160 HydrophobicContact CB-CE2 4.11Å; L157-Y160 HydrophobicContact CD1-CD2 4.46Å; L157-Y160 HydrophobicContact CD1-CE2 3.9Å; L157-Y160 PolarHBondContact O-N 2.97Å; P158-Y160 VanDerWaalsContact C-N 3.34Å; Y160-C162 VanDerWaalsContact C-N 3.31Å; Y160-C162 PolarHBondContact O-N 3.36Å; Y160-E165 HydrophobicContact CD1-CG 3.93Å; Y160-E166 HydrophobicContact CD2-CB 3.54Å; Y160-E166 HydrophobicContact CD2-CG 3.55Å; Y160-E166 HydrophobicContact CE2-CB 4.25Å; Y160-E166 HydrophobicContact CE2-CG 3.9Å; Y160-E166 HydrophobicContact CG-CB 3.82Å; Y160-E166 HydrophobicContact CG-CG 4.34Å; Y160-C169 HydrophobicContact CD1-CB 4.33Å; Y160-C169 HydrophobicContact CE1-CB 3.55Å
161	S	89.3	Confident	90	Very high	74 Å²	74	54.1 Å²	54.1	52%	0.517	29%	0.293	S	S	.	.	S	Bend	trans	-69.1	-31.1	179.5	68.4	0	0	0	0	112.4	E165	S161-E165 WeakPolarHBondContact CA-OE2 3.46Å; S161-E165 VanDerWaalsContact CB-OE2 3.25Å; S161-E165 WeakPolarHBondContact CB-OE2 3.46Å; S161-E165 PolarHBondContact N-OE2 3.16Å; S161-E165 PolarHBondContact OG-OE2 2.86Å
162	C	92.9	Very high	90.6	Very high	12 Å²	12	53.1 Å²	53.1	8%	0.081	29%	0.286	C	S	.	.	S	Bend	trans	-149.7	166.3	176.6	68.2	0	0	0	0	113.9	S151 L153 Y160 L164 E165 E166	S151-C162 WeakPolarHBondContact O-CB 3.4Å; S151-C162 PolarHBondContact O-SG 3.05Å; L153-C162 CarbonylContact O-C 3.47Å; L153-C162 WeakPolarHBondContact O-CA 3.4Å; L153-C162 VanDerWaalsContact O-CB 3.25Å; L153-C162 WeakPolarHBondContact O-CB 3.28Å; Y160-C162 VanDerWaalsContact C-N 3.31Å; Y160-C162 PolarHBondContact O-N 3.36Å; C162-L164 VanDerWaalsContact C-N 3.25Å; C162-L164 PolarHBondContact O-N 3.06Å; C162-E165 WeakPolarHBondContact O-CB 3.48Å; C162-E165 PolarHBondContact O-N 2.76Å; C162-E165 PolarHBondContact SG-N 3.26Å; C162-E166 PolarHBondContact O-N 2.79Å
163	V	91.1	Very high	91.1	Very high	21 Å²	21	52.9 Å²	52.9	13%	0.127	28%	0.277	C	S	.	.	H	α-helix	trans	-58.9	-35.5	177.2	172.9	0	0	0	0	112.1	L153 N154 E166 H167	L153-V163 HydrophobicContact CB-CB 4.49Å; L153-V163 HydrophobicContact CB-CG2 3.79Å; L153-V163 PolarHBondContact O-N 3.38Å; N154-V163 WeakPolarHBondContact O-CG2 3.3Å; V163-E166 PolarHBondContact O-N 2.54Å; V163-H167 VanDerWaalsContact CG1-CD2 3.49Å; V163-H167 WeakPolarHBondContact CG1-CD2 3.4Å; V163-H167 PolarHBondContact O-CD2 2.92Å; V163-H167 PolarHBondContact O-N 3.28Å
164	L	94.3	Very high	91.6	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-61.9	-49.1	175.6	171.7	63.2	0	0	0	111	C162 E166 H167 I168 V202 M206 I468 N471	C162-L164 VanDerWaalsContact C-N 3.25Å; C162-L164 PolarHBondContact O-N 3.06Å; L164-E166 VanDerWaalsContact C-N 3.32Å; L164-E166 PolarHBondContact O-N 3.44Å; L164-H167 PolarHBondContact O-N 2.85Å; L164-I168 HydrophobicContact CD1-CD1 3.65Å; L164-I168 HydrophobicContact CD1-CG1 4.05Å; L164-I168 HydrophobicContact CD2-CD1 4.48Å; L164-I168 HydrophobicContact CG-CD1 3.67Å; L164-I168 HydrophobicContact CG-CG1 4.48Å; L164-I168 WeakPolarHBondContact O-CD1 3.15Å; L164-I168 WeakPolarHBondContact O-CG1 3.4Å; L164-I168 PolarHBondContact O-N 3.27Å; L164-V202 HydrophobicContact CD1-CG1 3.96Å; L164-M206 HydrophobicContact CD1-SD 3.75Å; L164-I468 HydrophobicContact CD1-CG2 3.91Å; L164-I468 HydrophobicContact CD2-CB 4.26Å; L164-I468 HydrophobicContact CD2-CG1 4.16Å; L164-I468 HydrophobicContact CD2-CG2 3.95Å; L164-N471 HydrophobicContact CD2-CB 4.24Å
165	E	95.9	Very high	92.2	Very high	3 Å²	3	46.1 Å²	46.1	1%	0.014	24%	0.239	C	C	.	.	H	α-helix	trans	-58.6	-45	176.9	-177.9	173.6	-157	0	0	111.6	Y160 S161 C162 H167 I168 C169 T363 L364 L475	Y160-E165 HydrophobicContact CD1-CG 3.93Å; S161-E165 WeakPolarHBondContact CA-OE2 3.46Å; S161-E165 VanDerWaalsContact CB-OE2 3.25Å; S161-E165 WeakPolarHBondContact CB-OE2 3.46Å; S161-E165 PolarHBondContact N-OE2 3.16Å; S161-E165 PolarHBondContact OG-OE2 2.86Å; C162-E165 WeakPolarHBondContact O-CB 3.48Å; C162-E165 PolarHBondContact O-N 2.76Å; C162-E165 PolarHBondContact SG-N 3.26Å; E165-H167 PolarHBondContact O-N 3.17Å; E165-I168 PolarHBondContact O-N 3.38Å; E165-C169 WeakPolarHBondContact O-CB 3.43Å; E165-C169 PolarHBondContact O-N 2.83Å; E165-C169 PolarHBondContact O-SG 3.4Å; E165-C169 VanDerWaalsContact O-SG 3.36Å; E165-T363 WeakPolarHBondContact OE1-CA 3.24Å; E165-T363 WeakPolarHBondContact OE1-CB 3.31Å; E165-L364 HydrophobicContact CB-CD1 3.88Å; E165-L364 HydrophobicContact CB-CG 4.18Å; E165-L364 HydrophobicContact CG-CD1 4.33Å; E165-L364 HydrophobicContact CG-CG 4.08Å; E165-L364 PolarHBondContact OE1-N 3.45Å; E165-L475 HydrophobicContact CB-CD2 4.43Å; E165-L475 HydrophobicContact CG-CD2 3.78Å
166	E	94.8	Very high	93	Very high	12 Å²	12	45.7 Å²	45.7	6%	0.056	23%	0.232	C	C	.	.	H	α-helix	trans	-58.3	-45.7	177.2	-179.5	177.8	171.9	0	0	112.3	K156 Y160 C162 V163 L164 K170	K156-E166 WeakPolarHBondContact CB-OE2 3.5Å; K156-E166 PolarHBondContact N-OE2 2.78Å; Y160-E166 HydrophobicContact CD2-CB 3.54Å; Y160-E166 HydrophobicContact CD2-CG 3.55Å; Y160-E166 HydrophobicContact CE2-CB 4.25Å; Y160-E166 HydrophobicContact CE2-CG 3.9Å; Y160-E166 HydrophobicContact CG-CB 3.82Å; Y160-E166 HydrophobicContact CG-CG 4.34Å; C162-E166 PolarHBondContact O-N 2.79Å; V163-E166 PolarHBondContact O-N 2.54Å; L164-E166 VanDerWaalsContact C-N 3.32Å; L164-E166 PolarHBondContact O-N 3.44Å; E166-K170 HydrophobicContact CG-CD 4.08Å; E166-K170 WeakPolarHBondContact O-CB 3.25Å; E166-K170 VanDerWaalsContact O-CG 3.29Å; E166-K170 WeakPolarHBondContact O-CG 3.31Å; E166-K170 PolarHBondContact O-N 3.27Å; E166-K170 VanDerWaalsContact O-N 3.12Å; E166-K170 IonicContact OE1-NZ 2.64Å; E166-K170 PolarHBondContact OE1-NZ 2.84Å
167	H	95.7	Very high	93.6	Very high	50 Å²	50	42.6 Å²	42.6	23%	0.231	22%	0.219	C	C	.	.	H	α-helix	trans	-62.9	-45.4	177.2	-80.4	-62.5	0	0	0	112	V163 L164 E165 K170 E171 V202	V163-H167 VanDerWaalsContact CG1-CD2 3.49Å; V163-H167 WeakPolarHBondContact CG1-CD2 3.4Å; V163-H167 PolarHBondContact O-CD2 2.92Å; V163-H167 PolarHBondContact O-N 3.28Å; L164-H167 PolarHBondContact O-N 2.85Å; E165-H167 PolarHBondContact O-N 3.17Å; H167-K170 PolarHBondContact O-N 2.91Å; H167-E171 WeakPolarHBondContact O-CB 3.47Å; H167-E171 WeakPolarHBondContact O-CG 3.48Å; H167-E171 PolarHBondContact O-N 3.09Å; H167-V202 HydrophobicContact CB-CG1 4.14Å; H167-V202 HydrophobicContact CB-CG2 4.42Å
168	I	97.4	Very high	94.2	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-64.1	-48.8	-179.1	-61.9	158.4	0	0	0	110.7	L164 E165 K170 E171 A172 V202 E472 L475 F476	L164-I168 HydrophobicContact CD1-CD1 3.65Å; L164-I168 HydrophobicContact CD1-CG1 4.05Å; L164-I168 HydrophobicContact CD2-CD1 4.48Å; L164-I168 HydrophobicContact CG-CD1 3.67Å; L164-I168 HydrophobicContact CG-CG1 4.48Å; L164-I168 WeakPolarHBondContact O-CD1 3.15Å; L164-I168 WeakPolarHBondContact O-CG1 3.4Å; L164-I168 PolarHBondContact O-N 3.27Å; E165-I168 PolarHBondContact O-N 3.38Å; I168-K170 VanDerWaalsContact C-N 3.33Å; I168-K170 PolarHBondContact O-N 2.67Å; I168-E171 PolarHBondContact O-N 2.97Å; I168-A172 VanDerWaalsContact O-CB 3.25Å; I168-A172 WeakPolarHBondContact O-CB 3.45Å; I168-A172 PolarHBondContact O-N 3.22Å; I168-V202 HydrophobicContact CG1-CG1 3.97Å; I168-V202 HydrophobicContact CG1-CG2 4.19Å; I168-E472 HydrophobicContact CD1-CB 3.91Å; I168-E472 HydrophobicContact CD1-CG 4.17Å; I168-E472 HydrophobicContact CG1-CB 4.31Å; I168-E472 HydrophobicContact CG1-CG 4.01Å; I168-L475 HydrophobicContact CB-CD2 3.94Å; I168-L475 HydrophobicContact CD1-CD2 4.2Å; I168-L475 HydrophobicContact CG2-CB 3.86Å; I168-L475 HydrophobicContact CG2-CD2 3.81Å; I168-L475 HydrophobicContact CG2-CG 3.98Å; I168-F476 HydrophobicContact CG2-CD2 3.73Å; I168-F476 HydrophobicContact CG2-CE2 3.88Å; I168-F476 HydrophobicContact CG2-CG 4.15Å; I168-F476 HydrophobicContact CG2-CZ 4.4Å
169	C	96.4	Very high	94.8	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.014	17%	0.168	C	C	.	.	H	α-helix	trans	-58.1	-46.5	179.6	-73.6	0	0	0	0	111.3	Y160 E165 A172 E173 I479	Y160-C169 HydrophobicContact CD1-CB 4.33Å; Y160-C169 HydrophobicContact CE1-CB 3.55Å; E165-C169 WeakPolarHBondContact O-CB 3.43Å; E165-C169 PolarHBondContact O-N 2.83Å; E165-C169 PolarHBondContact O-SG 3.4Å; E165-C169 VanDerWaalsContact O-SG 3.36Å; C169-A172 PolarHBondContact O-N 3.05Å; C169-E173 WeakPolarHBondContact O-CG 3.47Å; C169-E173 PolarHBondContact O-N 3.49Å; C169-I479 HydrophobicContact CB-CD1 4.44Å
170	K	95.9	Very high	95.3	Very high	81 Å²	81	32.4 Å²	32.4	35%	0.352	16%	0.158	S	C	.	.	H	α-helix	trans	-61.3	-48.5	177.5	-74.3	174.8	175.9	177.2	0	112.1	E166 H167 I168 A172 E173 H174	E166-K170 HydrophobicContact CG-CD 4.08Å; E166-K170 WeakPolarHBondContact O-CB 3.25Å; E166-K170 VanDerWaalsContact O-CG 3.29Å; E166-K170 WeakPolarHBondContact O-CG 3.31Å; E166-K170 PolarHBondContact O-N 3.27Å; E166-K170 VanDerWaalsContact O-N 3.12Å; E166-K170 IonicContact OE1-NZ 2.64Å; E166-K170 PolarHBondContact OE1-NZ 2.84Å; H167-K170 PolarHBondContact O-N 2.91Å; I168-K170 VanDerWaalsContact C-N 3.33Å; I168-K170 PolarHBondContact O-N 2.67Å; K170-A172 VanDerWaalsContact C-N 3.3Å; K170-A172 PolarHBondContact O-N 3.21Å; K170-E173 PolarHBondContact O-N 3.1Å; K170-H174 PolarHBondContact O-CD2 3.41Å; K170-H174 PolarHBondContact O-N 3.5Å
171	E	98.1	Very high	95.6	Very high	6 Å²	6	34 Å²	34	3%	0.028	17%	0.169	C	C	.	.	H	α-helix	trans	-72.4	-23.9	-178	-67.4	-60.1	139.8	0	0	112.9	H167 I168 H174 L175 S198 N201 V202 R211 F476	H167-E171 WeakPolarHBondContact O-CB 3.47Å; H167-E171 WeakPolarHBondContact O-CG 3.48Å; H167-E171 PolarHBondContact O-N 3.09Å; I168-E171 PolarHBondContact O-N 2.97Å; E171-H174 IonicContact OE1-CD2 3.58Å; E171-L175 VanDerWaalsContact O-CB 3.31Å; E171-L175 WeakPolarHBondContact O-CB 3.33Å; E171-L175 PolarHBondContact O-N 3.46Å; E171-S198 PolarHBondContact O-OG 3.05Å; E171-N201 HydrophobicContact CG-CB 3.75Å; E171-N201 VanDerWaalsContact OE2-CB 3.29Å; E171-N201 WeakPolarHBondContact OE2-CB 3.43Å; E171-N201 PolarHBondContact OE2-ND2 3.47Å; E171-V202 HydrophobicContact CB-CG2 4.03Å; E171-V202 HydrophobicContact CG-CG2 4.1Å; E171-R211 IonicContact OE1-CZ 2.97Å; E171-R211 IonicContact OE1-NE 3.61Å; E171-R211 PolarHBondContact OE1-NE 2.64Å; E171-R211 IonicContact OE1-NH2 3.48Å; E171-F476 HydrophobicContact CB-CZ 4.17Å
172	A	97.9	Very high	95.9	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-70.3	-44.3	170.3	0	0	0	0	0	112	I168 C169 K170 H174 L175 I176 F476 I479	I168-A172 VanDerWaalsContact O-CB 3.25Å; I168-A172 WeakPolarHBondContact O-CB 3.45Å; I168-A172 PolarHBondContact O-N 3.22Å; C169-A172 PolarHBondContact O-N 3.05Å; K170-A172 VanDerWaalsContact C-N 3.3Å; K170-A172 PolarHBondContact O-N 3.21Å; A172-H174 VanDerWaalsContact C-N 3.34Å; A172-L175 WeakPolarHBondContact O-CB 3.19Å; A172-L175 PolarHBondContact O-N 3.31Å; A172-I176 WeakPolarHBondContact O-CD1 3.43Å; A172-I176 WeakPolarHBondContact O-CG1 3.41Å; A172-I176 PolarHBondContact O-N 3.09Å; A172-F476 HydrophobicContact CB-CD1 3.8Å; A172-F476 HydrophobicContact CB-CE1 3.83Å; A172-I479 HydrophobicContact CB-CB 4.15Å; A172-I479 HydrophobicContact CB-CD1 3.81Å; A172-I479 HydrophobicContact CB-CG2 3.79Å
173	E	95.7	Very high	96	Very high	68 Å²	68	31.7 Å²	31.7	32%	0.318	15%	0.15	S	C	.	.	H	α-helix	trans	-64.3	-40.3	174.2	-63.7	-69.3	-177.6	0	0	111.3	C169 K170 I176 K177 T361 K483	C169-E173 WeakPolarHBondContact O-CG 3.47Å; C169-E173 PolarHBondContact O-N 3.49Å; K170-E173 PolarHBondContact O-N 3.1Å; E173-I176 PolarHBondContact O-N 3.47Å; E173-K177 PolarHBondContact O-N 3.27Å; E173-K177 VanDerWaalsContact O-N 3.07Å; E173-T361 PolarHBondContact OE1-OG1 3.39Å; E173-K483 IonicContact OE1-NZ 2.93Å; E173-K483 PolarHBondContact OE1-NZ 2.92Å; E173-K483 IonicContact OE2-NZ 3.03Å; E173-K483 PolarHBondContact OE2-NZ 3.35Å
174	H	96.8	Very high	96.2	Very high	73 Å²	73	36.4 Å²	36.4	34%	0.338	18%	0.179	S	C	.	.	H	α-helix	trans	-61	-44.9	172	-76.8	-60.8	0	0	0	111.7	K170 E171 A172 I176 K177 E178	K170-H174 PolarHBondContact O-CD2 3.41Å; K170-H174 PolarHBondContact O-N 3.5Å; E171-H174 IonicContact OE1-CD2 3.58Å; A172-H174 VanDerWaalsContact C-N 3.34Å; H174-I176 VanDerWaalsContact C-N 3.34Å; H174-I176 PolarHBondContact O-N 2.92Å; H174-K177 PolarHBondContact O-N 2.89Å; H174-E178 VanDerWaalsContact O-CG 3.31Å; H174-E178 WeakPolarHBondContact O-CG 3.26Å; H174-E178 PolarHBondContact O-N 3.08Å
175	L	97.8	Very high	96.2	Very high	4 Å²	4	42.1 Å²	42.1	2%	0.021	21%	0.214	C	C	.	.	H	α-helix	trans	-57.7	-47.1	176.2	-179	58.3	0	0	0	111.6	E171 A172 K177 E178 L179 I195 S198 F476 I480	E171-L175 VanDerWaalsContact O-CB 3.31Å; E171-L175 WeakPolarHBondContact O-CB 3.33Å; E171-L175 PolarHBondContact O-N 3.46Å; A172-L175 WeakPolarHBondContact O-CB 3.19Å; A172-L175 PolarHBondContact O-N 3.31Å; L175-K177 VanDerWaalsContact C-N 3.31Å; L175-K177 PolarHBondContact O-N 3.21Å; L175-E178 PolarHBondContact O-N 3.46Å; L175-L179 HydrophobicContact CD1-CD1 4.15Å; L175-L179 HydrophobicContact CD1-CG 4.06Å; L175-L179 HydrophobicContact CG-CD1 4Å; L175-L179 HydrophobicContact CG-CG 4.31Å; L175-L179 WeakPolarHBondContact O-CB 3.36Å; L175-L179 VanDerWaalsContact O-CG 3.24Å; L175-L179 WeakPolarHBondContact O-CG 3.39Å; L175-L179 PolarHBondContact O-N 3.48Å; L175-I195 HydrophobicContact CD2-CG1 4.3Å; L175-S198 WeakPolarHBondContact CB-OG 3.18Å; L175-F476 HydrophobicContact CD2-CD1 4.46Å; L175-F476 HydrophobicContact CD2-CE1 4.39Å; L175-I480 HydrophobicContact CD2-CG2 4.43Å
176	I	97.3	Very high	96.1	Very high	6 Å²	6	47.4 Å²	47.4	3%	0.031	24%	0.238	C	C	.	.	H	α-helix	trans	-57.6	-47.1	178.9	-73.3	157	0	0	0	110.5	A172 E173 H174 L179 Q180 I479 K483 L484 M515	A172-I176 WeakPolarHBondContact O-CD1 3.43Å; A172-I176 WeakPolarHBondContact O-CG1 3.41Å; A172-I176 PolarHBondContact O-N 3.09Å; E173-I176 PolarHBondContact O-N 3.47Å; H174-I176 VanDerWaalsContact C-N 3.34Å; H174-I176 PolarHBondContact O-N 2.92Å; I176-L179 PolarHBondContact O-N 3.36Å; I176-Q180 WeakPolarHBondContact O-CG 3.41Å; I176-Q180 PolarHBondContact O-N 3.43Å; I176-I479 HydrophobicContact CD1-CG2 3.77Å; I176-K483 HydrophobicContact CD1-CB 4.09Å; I176-K483 HydrophobicContact CD1-CD 3.52Å; I176-K483 HydrophobicContact CD1-CG 4.36Å; I176-L484 HydrophobicContact CG1-CD1 3.87Å; I176-L484 HydrophobicContact CG1-CG 4.22Å; I176-L484 HydrophobicContact CG2-CD2 4.22Å; I176-M515 HydrophobicContact CG2-CE 4.48Å; I176-M515 HydrophobicContact CG2-SD 4.13Å
177	K	96.4	Very high	96.1	Very high	116 Å²	116	48.6 Å²	48.6	50%	0.504	25%	0.254	S	S	.	.	H	α-helix	trans	-60.4	-48.1	177.9	-176.5	-179	174.9	-172.1	0	111.9	E173 H174 L175 L179 Q180 D181	E173-K177 PolarHBondContact O-N 3.27Å; E173-K177 VanDerWaalsContact O-N 3.07Å; H174-K177 PolarHBondContact O-N 2.89Å; L175-K177 VanDerWaalsContact C-N 3.31Å; L175-K177 PolarHBondContact O-N 3.21Å; K177-L179 VanDerWaalsContact C-N 3.28Å; K177-L179 PolarHBondContact O-N 3.43Å; K177-Q180 WeakPolarHBondContact O-CB 3.39Å; K177-Q180 PolarHBondContact O-N 3.39Å; K177-Q180 VanDerWaalsContact O-N 3.13Å; K177-D181 PolarHBondContact O-N 2.82Å
178	E	96.2	Very high	96.1	Very high	28 Å²	28	49.8 Å²	49.8	13%	0.131	26%	0.258	C	S	.	.	H	α-helix	trans	-61.4	-38.1	178.6	-69.5	-66.2	138.3	0	0	112.1	H174 L175 D181 V182 Y194 H214 H215	H174-E178 VanDerWaalsContact O-CG 3.31Å; H174-E178 WeakPolarHBondContact O-CG 3.26Å; H174-E178 PolarHBondContact O-N 3.08Å; L175-E178 PolarHBondContact O-N 3.46Å; E178-D181 PolarHBondContact O-N 3.29Å; E178-V182 WeakPolarHBondContact O-CG1 3.29Å; E178-V182 PolarHBondContact O-N 3.4Å; E178-Y194 HydrophobicContact CB-CD1 4.41Å; E178-H214 HydrophobicContact CG-CB 4.13Å; E178-H215 IonicContact OE2-CE1 2.68Å; E178-H215 PolarHBondContact OE2-CE1 3.04Å; E178-H215 VanDerWaalsContact OE2-CE1 3.27Å
179	L	96.6	Very high	96	Very high	4 Å²	4	49.9 Å²	49.9	2%	0.021	26%	0.259	C	S	.	.	H	α-helix	trans	-66	-38.5	174.8	-71.7	179.6	0	0	0	112.1	L175 I176 K177 V182 M183 F189 Y194 L484 F486 V513	L175-L179 HydrophobicContact CD1-CD1 4.15Å; L175-L179 HydrophobicContact CD1-CG 4.06Å; L175-L179 HydrophobicContact CG-CD1 4Å; L175-L179 HydrophobicContact CG-CG 4.31Å; L175-L179 WeakPolarHBondContact O-CB 3.36Å; L175-L179 VanDerWaalsContact O-CG 3.24Å; L175-L179 WeakPolarHBondContact O-CG 3.39Å; L175-L179 PolarHBondContact O-N 3.48Å; I176-L179 PolarHBondContact O-N 3.36Å; K177-L179 VanDerWaalsContact C-N 3.28Å; K177-L179 PolarHBondContact O-N 3.43Å; L179-V182 WeakPolarHBondContact O-CG1 3.4Å; L179-M183 VanDerWaalsContact O-CB 3.29Å; L179-M183 WeakPolarHBondContact O-CB 3.15Å; L179-M183 WeakPolarHBondContact O-CG 3.31Å; L179-M183 PolarHBondContact O-N 3.05Å; L179-F189 HydrophobicContact CD2-CB 4.34Å; L179-F189 HydrophobicContact CD2-CD1 4.34Å; L179-F189 HydrophobicContact CD2-CD2 3.32Å; L179-F189 HydrophobicContact CD2-CE2 3.57Å; L179-F189 HydrophobicContact CD2-CG 3.75Å; L179-F189 HydrophobicContact CD2-CZ 4.22Å; L179-Y194 HydrophobicContact CD2-CD2 4.46Å; L179-Y194 HydrophobicContact CD2-CG 4.34Å; L179-L484 HydrophobicContact CD1-CD1 3.78Å; L179-F486 HydrophobicContact CD1-CE1 4.4Å; L179-V513 HydrophobicContact CB-CG1 4.09Å
180	Q	95.5	Very high	95.8	Very high	76 Å²	76	50.8 Å²	50.8	36%	0.355	26%	0.263	S	S	.	.	H	α-helix	trans	-65.3	-43.8	173.7	-69.4	175	-56.1	0	0	111.7	I176 K177 M183 T184 M515	I176-Q180 WeakPolarHBondContact O-CG 3.41Å; I176-Q180 PolarHBondContact O-N 3.43Å; K177-Q180 WeakPolarHBondContact O-CB 3.39Å; K177-Q180 PolarHBondContact O-N 3.39Å; K177-Q180 VanDerWaalsContact O-N 3.13Å; Q180-M183 PolarHBondContact O-N 3.38Å; Q180-T184 PolarHBondContact O-N 2.89Å; Q180-T184 PolarHBondContact O-OG1 2.98Å; Q180-M515 HydrophobicContact CG-CG 4.28Å; Q180-M515 HydrophobicContact CG-SD 3.94Å; Q180-M515 PolarHBondContact NE2-SD 3.28Å
181	D	95.3	Very high	95.6	Very high	76 Å²	76	47 Å²	47	41%	0.406	25%	0.246	S	C	.	.	H	α-helix	trans	-64.1	-48	-178.2	-71.8	-18.6	0	0	0	110.5	K177 E178 M183 T184 V185	K177-D181 PolarHBondContact O-N 2.82Å; E178-D181 PolarHBondContact O-N 3.29Å; D181-M183 PolarHBondContact O-N 2.86Å; D181-T184 WeakPolarHBondContact O-CB 3.35Å; D181-T184 PolarHBondContact O-N 2.94Å; D181-V185 WeakPolarHBondContact O-CG2 3.25Å; D181-V185 PolarHBondContact O-N 3.08Å; D181-V185 VanDerWaalsContact O-N 3.08Å
182	V	95.6	Very high	95.3	Very high	10 Å²	10	47 Å²	47	6%	0.061	25%	0.246	C	C	.	.	H	α-helix	trans	-65.9	-36.2	176.7	71.9	0	0	0	0	112.3	E178 L179 T184 V185 E186 F189 Y194	E178-V182 WeakPolarHBondContact O-CG1 3.29Å; E178-V182 PolarHBondContact O-N 3.4Å; L179-V182 WeakPolarHBondContact O-CG1 3.4Å; V182-T184 VanDerWaalsContact C-N 3.29Å; V182-T184 PolarHBondContact O-N 3.12Å; V182-V185 PolarHBondContact O-N 3.49Å; V182-E186 HydrophobicContact CG2-CB 4.21Å; V182-E186 HydrophobicContact CG2-CG 4.13Å; V182-E186 WeakPolarHBondContact O-CB 3.37Å; V182-E186 PolarHBondContact O-N 3.41Å; V182-F189 HydrophobicContact CG1-CB 3.68Å; V182-F189 HydrophobicContact CG2-CB 4.46Å; V182-Y194 HydrophobicContact CG1-CE2 4.44Å; V182-Y194 HydrophobicContact CG2-CE2 4.4Å; V182-Y194 VanDerWaalsContact CG2-OH 3.28Å; V182-Y194 WeakPolarHBondContact CG2-OH 3.37Å
183	M	95.6	Very high	95	Very high	28 Å²	28	49.3 Å²	49.3	14%	0.138	26%	0.255	C	S	.	.	H	α-helix	trans	-66	-33.6	175.7	-75.8	-59.1	-56.9	0	0	112.2	L179 Q180 D181 G187 F189 V513	L179-M183 VanDerWaalsContact O-CB 3.29Å; L179-M183 WeakPolarHBondContact O-CB 3.15Å; L179-M183 WeakPolarHBondContact O-CG 3.31Å; L179-M183 PolarHBondContact O-N 3.05Å; Q180-M183 PolarHBondContact O-N 3.38Å; D181-M183 PolarHBondContact O-N 2.86Å; M183-G187 WeakPolarHBondContact CE-O 3.49Å; M183-G187 WeakPolarHBondContact O-CA 3.19Å; M183-G187 PolarHBondContact O-N 2.87Å; M183-G187 VanDerWaalsContact O-N 3.07Å; M183-F189 HydrophobicContact SD-CD1 3.96Å; M183-V513 HydrophobicContact CG-CG1 3.42Å; M183-V513 VanDerWaalsContact CG-CG1 3.42Å; M183-V513 WeakPolarHBondContact CG-O 3.46Å; M183-V513 HydrophobicContact SD-CG1 4.03Å
184	T	95	Very high	94.8	Very high	121 Å²	121	47.2 Å²	47.2	74%	0.742	25%	0.245	S	C	*	.	H	α-helix	trans	-68.9	-39.5	175.7	-55	0	0	0	0	111.6	Q180 D181 V182	Q180-T184 PolarHBondContact O-N 2.89Å; Q180-T184 PolarHBondContact O-OG1 2.98Å; D181-T184 WeakPolarHBondContact O-CB 3.35Å; D181-T184 PolarHBondContact O-N 2.94Å; V182-T184 VanDerWaalsContact C-N 3.29Å; V182-T184 PolarHBondContact O-N 3.12Å
185	V	94.6	Very high	94.8	Very high	120 Å²	120	44.2 Å²	44.2	73%	0.727	23%	0.231	S	C	*	.	H	α-helix	trans	-84.6	-48.1	-175	176.5	0	0	0	0	112.5	D181 V182	D181-V185 WeakPolarHBondContact O-CG2 3.25Å; D181-V185 PolarHBondContact O-N 3.08Å; D181-V185 VanDerWaalsContact O-N 3.08Å; V182-V185 PolarHBondContact O-N 3.49Å
186	E	94.8	Very high	94.7	Very high	114 Å²	114	44 Å²	44	53%	0.533	23%	0.23	S	C	.	.	H	α-helix	trans	-107.2	-18.2	-170.8	-60	-169.7	-158.8	0	0	113.5	V182 K188	V182-E186 HydrophobicContact CG2-CB 4.21Å; V182-E186 HydrophobicContact CG2-CG 4.13Å; V182-E186 WeakPolarHBondContact O-CB 3.37Å; V182-E186 PolarHBondContact O-N 3.41Å; E186-K188 HydrophobicContact CB-CG 4.4Å; E186-K188 PolarHBondContact O-N 2.89Å
187	G	94.4	Very high	94.7	Very high	37 Å²	37	43.7 Å²	43.7	38%	0.381	23%	0.228	S	C	.	.	S	Bend	trans	70.1	8	-175.7	0	0	0	0	0	114.5	M183	M183-G187 WeakPolarHBondContact CE-O 3.49Å; M183-G187 WeakPolarHBondContact O-CA 3.19Å; M183-G187 PolarHBondContact O-N 2.87Å; M183-G187 VanDerWaalsContact O-N 3.07Å
188	K	95.1	Very high	94.7	Very high	75 Å²	75	38.2 Å²	38.2	33%	0.326	20%	0.204	S	C	.	.			trans	-161.4	157.7	-177.6	63.3	-173.3	179	177.4	0	111.2	E186 L489 Y510 L511	E186-K188 HydrophobicContact CB-CG 4.4Å; E186-K188 PolarHBondContact O-N 2.89Å; K188-L489 HydrophobicContact CB-CD1 3.42Å; K188-L489 VanDerWaalsContact CB-CD1 3.42Å; K188-L489 HydrophobicContact CD-CD1 4.42Å; K188-Y510 HydrophobicContact CB-CD1 4.38Å; K188-Y510 HydrophobicContact CD-CD1 3.94Å; K188-Y510 HydrophobicContact CD-CG 3.99Å; K188-Y510 HydrophobicContact CG-CD1 3.99Å; K188-Y510 HydrophobicContact CG-CG 4.44Å; K188-L511 WeakPolarHBondContact CA-O 3.28Å
189	F	94.7	Very high	94.8	Very high	3 Å²	3	36.9 Å²	36.9	1%	0.013	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-142.4	157.7	172.6	75.7	-74.3	0	0	0	111.5	L179 V182 M183 P191 Y194 F486 Y510 L511 V513	L179-F189 HydrophobicContact CD2-CB 4.34Å; L179-F189 HydrophobicContact CD2-CD1 4.34Å; L179-F189 HydrophobicContact CD2-CD2 3.32Å; L179-F189 HydrophobicContact CD2-CE2 3.57Å; L179-F189 HydrophobicContact CD2-CG 3.75Å; L179-F189 HydrophobicContact CD2-CZ 4.22Å; V182-F189 HydrophobicContact CG1-CB 3.68Å; V182-F189 HydrophobicContact CG2-CB 4.46Å; M183-F189 HydrophobicContact SD-CD1 3.96Å; F189-P191 HydrophobicContact CD2-CG 4.49Å; F189-P191 HydrophobicContact CE2-CB 4.05Å; F189-P191 HydrophobicContact CE2-CG 3.93Å; F189-P191 HydrophobicContact CZ-CG 4.36Å; F189-Y194 HydrophobicContact CB-CD2 4.26Å; F189-Y194 HydrophobicContact CB-CE2 4.04Å; F189-Y194 HydrophobicContact CD2-CD2 4.3Å; F189-F486 HydrophobicContact CE1-CD1 4.38Å; F189-F486 AromaticContact CZ-CD1 3.82Å; F189-F486 HydrophobicContact CZ-CD1 3.82Å; F189-F486 AromaticContact CZ-CE1 3.8Å; F189-F486 HydrophobicContact CZ-CE1 3.8Å; F189-Y510 WeakPolarHBondContact O-CA 3.2Å; F189-L511 WeakPolarHBondContact CD1-O 3.46Å; F189-L511 HydrophobicContact CE1-CB 3.96Å; F189-L511 HydrophobicContact CZ-CB 4.21Å; F189-L511 PolarHBondContact N-O 2.85Å; F189-L511 PolarHBondContact O-N 3.28Å; F189-V513 HydrophobicContact CD1-CB 4.43Å; F189-V513 HydrophobicContact CD1-CG1 3.83Å; F189-V513 HydrophobicContact CE1-CB 3.67Å; F189-V513 HydrophobicContact CE1-CG1 3.52Å; F189-V513 HydrophobicContact CZ-CB 4.27Å; F189-V513 HydrophobicContact CZ-CG1 4.22Å
190	E	93.1	Very high	94.8	Very high	21 Å²	21	36.7 Å²	36.7	10%	0.098	20%	0.197	C	C	.	.			trans	-98.6	117.5	171	-168.5	-78.5	138.2	0	0	108.5	F192 R193 Y194 R508 Y510	E190-F192 PolarHBondContact O-N 2.89Å; E190-F192 WeakPolarHBondContact OE1-CB 3.14Å; E190-F192 PolarHBondContact OE1-N 3.05Å; E190-R193 HydrophobicContact CB-CB 4.43Å; E190-R193 PolarHBondContact O-N 3.49Å; E190-R193 WeakPolarHBondContact OE2-CA 3.31Å; E190-R193 WeakPolarHBondContact OE2-CB 3.15Å; E190-R193 PolarHBondContact OE2-N 2.7Å; E190-Y194 WeakPolarHBondContact O-CD2 3.35Å; E190-R508 WeakPolarHBondContact OE1-CD 3.5Å; E190-R508 IonicContact OE1-CZ 3.3Å; E190-R508 IonicContact OE1-NE 3.66Å; E190-R508 IonicContact OE1-NH1 3.47Å; E190-R508 PolarHBondContact OE1-NH1 3.44Å; E190-R508 VanDerWaalsContact OE1-NH1 3.13Å; E190-R508 IonicContact OE2-CZ 3.4Å; E190-R508 IonicContact OE2-NH1 2.76Å; E190-R508 PolarHBondContact OE2-NH1 3.49Å; E190-Y510 HydrophobicContact CB-CD1 4.35Å; E190-Y510 HydrophobicContact CB-CE1 4.19Å
191	P	90.5	Very high	94.9	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-57.7	-46.5	-167.7	-28.7	35.3	0	0	0	114.8	F189 R193 Y194 I195 V335 C509 L511	F189-P191 HydrophobicContact CD2-CG 4.49Å; F189-P191 HydrophobicContact CE2-CB 4.05Å; F189-P191 HydrophobicContact CE2-CG 3.93Å; F189-P191 HydrophobicContact CZ-CG 4.36Å; P191-R193 VanDerWaalsContact C-N 3.33Å; P191-R193 PolarHBondContact O-N 3.36Å; P191-Y194 PolarHBondContact O-N 3.45Å; P191-I195 HydrophobicContact CB-CD1 4.09Å; P191-I195 WeakPolarHBondContact O-CB 3.12Å; P191-I195 WeakPolarHBondContact O-CD1 3.47Å; P191-I195 WeakPolarHBondContact O-CG1 3.49Å; P191-I195 PolarHBondContact O-N 3.33Å; P191-I195 VanDerWaalsContact O-N 3.14Å; P191-V335 HydrophobicContact CB-CG1 4.25Å; P191-V335 HydrophobicContact CG-CG1 4.16Å; P191-C509 WeakPolarHBondContact CD-O 3.47Å; P191-L511 HydrophobicContact CG-CB 4.44Å; P191-L511 HydrophobicContact CG-CD1 3.41Å; P191-L511 VanDerWaalsContact CG-CD1 3.41Å; P191-L511 HydrophobicContact CG-CG 3.94Å
192	F	91.9	Very high	95	Very high	7 Å²	7	29.5 Å²	29.5	3%	0.031	16%	0.161	C	C	.	.	H	α-helix	trans	-65.1	-38.5	-173.4	-177.9	-82.5	0	0	0	111.5	E190 Y194 V196 K505 R508	E190-F192 PolarHBondContact O-N 2.89Å; E190-F192 WeakPolarHBondContact OE1-CB 3.14Å; E190-F192 PolarHBondContact OE1-N 3.05Å; F192-Y194 VanDerWaalsContact C-N 3.29Å; F192-Y194 PolarHBondContact O-N 2.99Å; F192-V196 HydrophobicContact CD1-CB 4.19Å; F192-V196 HydrophobicContact CD1-CG1 4.25Å; F192-V196 HydrophobicContact CE1-CB 3.92Å; F192-V196 HydrophobicContact CE1-CG1 4.13Å; F192-V196 HydrophobicContact CE1-CG2 3.94Å; F192-V196 HydrophobicContact CZ-CB 4.18Å; F192-V196 HydrophobicContact CZ-CG2 3.91Å; F192-V196 WeakPolarHBondContact O-CB 3.2Å; F192-V196 WeakPolarHBondContact O-CG1 3.42Å; F192-V196 PolarHBondContact O-N 2.8Å; F192-K505 HydrophobicContact CE2-CD 4.33Å; F192-R508 VanDerWaalsContact CD1-NH2 3.27Å
193	R	92	Very high	95	Very high	48 Å²	48	29.4 Å²	29.4	18%	0.181	16%	0.16	C	C	.	.	H	α-helix	trans	-55	-37.8	-178.4	170.5	61.1	-176.5	84.7	3.5	114.2	E190 P191 H214 N224	E190-R193 HydrophobicContact CB-CB 4.43Å; E190-R193 PolarHBondContact O-N 3.49Å; E190-R193 WeakPolarHBondContact OE2-CA 3.31Å; E190-R193 WeakPolarHBondContact OE2-CB 3.15Å; E190-R193 PolarHBondContact OE2-N 2.7Å; P191-R193 VanDerWaalsContact C-N 3.33Å; P191-R193 PolarHBondContact O-N 3.36Å; R193-H214 PolarHBondContact NH1-O 2.9Å; R193-H214 VanDerWaalsContact NH1-O 3.1Å; R193-H214 PolarHBondContact NH2-O 3.32Å; R193-N224 VanDerWaalsContact CD-ND2 3.31Å; R193-N224 WeakPolarHBondContact CD-ND2 3.48Å
194	Y	92.9	Very high	95	Very high	25 Å²	25	28.1 Å²	28.1	10%	0.098	15%	0.154	C	C	.	.	H	α-helix	trans	-94.2	-41.9	-177.6	-64.3	-85.9	0	0	0	111.4	E178 L179 V182 F189 E190 P191 F192 V196 V197 S198	E178-Y194 HydrophobicContact CB-CD1 4.41Å; L179-Y194 HydrophobicContact CD2-CD2 4.46Å; L179-Y194 HydrophobicContact CD2-CG 4.34Å; V182-Y194 HydrophobicContact CG1-CE2 4.44Å; V182-Y194 HydrophobicContact CG2-CE2 4.4Å; V182-Y194 VanDerWaalsContact CG2-OH 3.28Å; V182-Y194 WeakPolarHBondContact CG2-OH 3.37Å; F189-Y194 HydrophobicContact CB-CD2 4.26Å; F189-Y194 HydrophobicContact CB-CE2 4.04Å; F189-Y194 HydrophobicContact CD2-CD2 4.3Å; E190-Y194 WeakPolarHBondContact O-CD2 3.35Å; P191-Y194 PolarHBondContact O-N 3.45Å; F192-Y194 VanDerWaalsContact C-N 3.29Å; F192-Y194 PolarHBondContact O-N 2.99Å; Y194-V196 VanDerWaalsContact C-N 3.3Å; Y194-V196 PolarHBondContact O-N 3.25Å; Y194-V197 PolarHBondContact O-N 3.33Å; Y194-S198 PolarHBondContact O-N 3.24Å
195	I	96.3	Very high	95	Very high	9 Å²	9	22.6 Å²	22.6	5%	0.046	12%	0.121	C	C	.	.	H	α-helix	trans	-58.1	-44.2	176.9	-68.5	170	0	0	0	110.8	L175 P191 V197 S198 V199 L331 V335	L175-I195 HydrophobicContact CD2-CG1 4.3Å; P191-I195 HydrophobicContact CB-CD1 4.09Å; P191-I195 WeakPolarHBondContact O-CB 3.12Å; P191-I195 WeakPolarHBondContact O-CD1 3.47Å; P191-I195 WeakPolarHBondContact O-CG1 3.49Å; P191-I195 PolarHBondContact O-N 3.33Å; P191-I195 VanDerWaalsContact O-N 3.14Å; I195-V197 VanDerWaalsContact C-N 3.26Å; I195-V197 PolarHBondContact O-N 3.36Å; I195-S198 PolarHBondContact O-N 3.46Å; I195-V199 HydrophobicContact CG2-CG2 4.11Å; I195-V199 VanDerWaalsContact O-CG2 3.31Å; I195-V199 WeakPolarHBondContact O-CG2 3.44Å; I195-V199 PolarHBondContact O-N 3.39Å; I195-L331 HydrophobicContact CG2-CB 3.66Å; I195-L331 HydrophobicContact CG2-CD1 4.13Å; I195-V335 HydrophobicContact CD1-CG2 3.92Å
196	V	95.4	Very high	95.1	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-61.9	-33.4	-175.6	73.8	0	0	0	0	112.7	F192 Y194 A200 V223 F324	F192-V196 HydrophobicContact CD1-CB 4.19Å; F192-V196 HydrophobicContact CD1-CG1 4.25Å; F192-V196 HydrophobicContact CE1-CB 3.92Å; F192-V196 HydrophobicContact CE1-CG1 4.13Å; F192-V196 HydrophobicContact CE1-CG2 3.94Å; F192-V196 HydrophobicContact CZ-CB 4.18Å; F192-V196 HydrophobicContact CZ-CG2 3.91Å; F192-V196 WeakPolarHBondContact O-CB 3.2Å; F192-V196 WeakPolarHBondContact O-CG1 3.42Å; F192-V196 PolarHBondContact O-N 2.8Å; Y194-V196 VanDerWaalsContact C-N 3.3Å; Y194-V196 PolarHBondContact O-N 3.25Å; V196-A200 WeakPolarHBondContact O-CB 3.26Å; V196-A200 PolarHBondContact O-N 3.48Å; V196-V223 HydrophobicContact CB-CG2 4.45Å; V196-V223 HydrophobicContact CG1-CB 4.37Å; V196-V223 HydrophobicContact CG1-CG2 3.67Å; V196-V223 HydrophobicContact CG2-CB 3.74Å; V196-V223 HydrophobicContact CG2-CG2 3.98Å; V196-F324 HydrophobicContact CG2-CD2 4.11Å
197	V	96.1	Very high	95.1	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-74	-45.5	179.4	179.4	0	0	0	0	111	Y194 I195 V199 A200 N201 L219 V220 V223	Y194-V197 PolarHBondContact O-N 3.33Å; I195-V197 VanDerWaalsContact C-N 3.26Å; I195-V197 PolarHBondContact O-N 3.36Å; V197-V199 VanDerWaalsContact C-N 3.34Å; V197-V199 PolarHBondContact O-N 3.29Å; V197-A200 PolarHBondContact O-N 3.13Å; V197-N201 PolarHBondContact O-N 2.98Å; V197-L219 HydrophobicContact CG1-CD2 4Å; V197-V220 HydrophobicContact CG2-CG2 4.1Å; V197-V223 HydrophobicContact CG2-CG2 4.38Å
198	S	97.5	Very high	95.2	Very high	0 Å²	0	10 Å²	10	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-59	-45.1	176.6	-67	0	0	0	0	111.8	E171 L175 Y194 I195 N201 V202 H214	E171-S198 PolarHBondContact O-OG 3.05Å; L175-S198 WeakPolarHBondContact CB-OG 3.18Å; Y194-S198 PolarHBondContact O-N 3.24Å; I195-S198 PolarHBondContact O-N 3.46Å; S198-N201 PolarHBondContact O-N 3.14Å; S198-V202 PolarHBondContact O-N 3.36Å; S198-H214 PolarHBondContact OG-CE1 3.46Å; S198-H214 PolarHBondContact OG-NE2 3.17Å
199	V	97.6	Very high	95.1	Very high	1 Å²	1	9 Å²	9	1%	0.006	6%	0.055	C	C	.	.	H	α-helix	trans	-65.1	-43.1	175.5	176.9	0	0	0	0	111.1	I195 V197 N201 V202 I203 I327 L331 F476	I195-V199 HydrophobicContact CG2-CG2 4.11Å; I195-V199 VanDerWaalsContact O-CG2 3.31Å; I195-V199 WeakPolarHBondContact O-CG2 3.44Å; I195-V199 PolarHBondContact O-N 3.39Å; V197-V199 VanDerWaalsContact C-N 3.34Å; V197-V199 PolarHBondContact O-N 3.29Å; V199-N201 VanDerWaalsContact C-N 3.25Å; V199-N201 PolarHBondContact O-N 3.37Å; V199-V202 PolarHBondContact O-N 2.95Å; V199-V202 VanDerWaalsContact O-N 3.17Å; V199-I203 PolarHBondContact O-N 3.39Å; V199-I327 HydrophobicContact CG1-CB 3.64Å; V199-I327 HydrophobicContact CG1-CG2 3.66Å; V199-I327 HydrophobicContact CG2-CG2 4.03Å; V199-L331 HydrophobicContact CG2-CD1 3.66Å; V199-F476 HydrophobicContact CG2-CE2 4.21Å
200	A	97	Very high	95	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-60.5	-36.7	176.7	0	0	0	0	0	112	V196 V197 I203 C204 L219 V223 F324	V196-A200 WeakPolarHBondContact O-CB 3.26Å; V196-A200 PolarHBondContact O-N 3.48Å; V197-A200 PolarHBondContact O-N 3.13Å; A200-I203 WeakPolarHBondContact O-CG2 3.25Å; A200-C204 WeakPolarHBondContact O-CB 3.3Å; A200-C204 PolarHBondContact O-N 2.75Å; A200-L219 HydrophobicContact CB-CD1 4.28Å; A200-L219 HydrophobicContact CB-CD2 4.23Å; A200-V223 HydrophobicContact CB-CG1 3.97Å; A200-F324 HydrophobicContact CB-CB 3.88Å; A200-F324 HydrophobicContact CB-CG 4.45Å
201	N	97.4	Very high	95.1	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.005	9%	0.089	C	C	.	.	H	α-helix	trans	-66.9	-34.2	175.9	-80.4	-22.2	0	0	0	113.2	E171 V197 S198 V199 G205 R211 Y212	E171-N201 HydrophobicContact CG-CB 3.75Å; E171-N201 VanDerWaalsContact OE2-CB 3.29Å; E171-N201 WeakPolarHBondContact OE2-CB 3.43Å; E171-N201 PolarHBondContact OE2-ND2 3.47Å; V197-N201 PolarHBondContact O-N 2.98Å; S198-N201 PolarHBondContact O-N 3.14Å; V199-N201 VanDerWaalsContact C-N 3.25Å; V199-N201 PolarHBondContact O-N 3.37Å; N201-G205 PolarHBondContact O-N 3.43Å; N201-R211 HydrophobicContact CB-CB 4.46Å; N201-Y212 PolarHBondContact ND2-O 3Å; N201-Y212 PolarHBondContact OD1-N 2.78Å; N201-Y212 PolarHBondContact OD1-O 3.28Å
202	V	97.4	Very high	95.3	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-61.2	-56	174.2	174.7	0	0	0	0	110.2	L164 H167 I168 E171 S198 V199 C204 G205 M206 E472 F476	L164-V202 HydrophobicContact CD1-CG1 3.96Å; H167-V202 HydrophobicContact CB-CG1 4.14Å; H167-V202 HydrophobicContact CB-CG2 4.42Å; I168-V202 HydrophobicContact CG1-CG1 3.97Å; I168-V202 HydrophobicContact CG1-CG2 4.19Å; E171-V202 HydrophobicContact CB-CG2 4.03Å; E171-V202 HydrophobicContact CG-CG2 4.1Å; S198-V202 PolarHBondContact O-N 3.36Å; V199-V202 PolarHBondContact O-N 2.95Å; V199-V202 VanDerWaalsContact O-N 3.17Å; V202-C204 VanDerWaalsContact C-N 3.33Å; V202-C204 PolarHBondContact O-N 3.27Å; V202-G205 PolarHBondContact O-N 3.15Å; V202-M206 WeakPolarHBondContact O-CG 3.43Å; V202-M206 PolarHBondContact O-N 2.86Å; V202-M206 VanDerWaalsContact O-N 3.09Å; V202-E472 WeakPolarHBondContact CB-OE1 3.27Å; V202-F476 HydrophobicContact CG2-CE2 4.03Å; V202-F476 HydrophobicContact CG2-CZ 4.1Å
203	I	96.3	Very high	95.4	Very high	8 Å²	8	22.9 Å²	22.9	4%	0.041	11%	0.113	C	C	.	.	H	α-helix	trans	-69.3	-31.3	-179.5	-172.1	62.2	0	0	0	112.3	V199 A200 M206 C207 F320 F324	V199-I203 PolarHBondContact O-N 3.39Å; A200-I203 WeakPolarHBondContact O-CG2 3.25Å; I203-M206 HydrophobicContact CD1-CB 4.45Å; I203-M206 PolarHBondContact O-N 3.33Å; I203-C207 VanDerWaalsContact O-CB 3.28Å; I203-C207 WeakPolarHBondContact O-CB 3.45Å; I203-C207 PolarHBondContact O-N 3.15Å; I203-C207 PolarHBondContact O-SG 3.05Å; I203-F320 HydrophobicContact CB-CD2 4.48Å; I203-F320 HydrophobicContact CG1-CD2 4.29Å; I203-F320 HydrophobicContact CG2-CD2 3.62Å; I203-F320 HydrophobicContact CG2-CE2 3.82Å; I203-F324 HydrophobicContact CG2-CB 4.08Å
204	C	96	Very high	95.5	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-65.9	-38.8	173.3	-174.5	0	0	0	0	111.7	A200 V202 M206 C207 F208 G209 R210 F320	A200-C204 WeakPolarHBondContact O-CB 3.3Å; A200-C204 PolarHBondContact O-N 2.75Å; V202-C204 VanDerWaalsContact C-N 3.33Å; V202-C204 PolarHBondContact O-N 3.27Å; C204-M206 VanDerWaalsContact C-N 3.35Å; C204-C207 PolarHBondContact O-N 3Å; C204-F208 WeakPolarHBondContact O-CA 3.23Å; C204-F208 WeakPolarHBondContact O-CB 3.29Å; C204-F208 PolarHBondContact O-N 3.43Å; C204-G209 PolarHBondContact O-N 2.89Å; C204-R210 CarbonylContact C-O 3.59Å; C204-R210 WeakPolarHBondContact CB-O 3.37Å; C204-R210 PolarHBondContact SG-O 2.88Å; C204-F320 HydrophobicContact CB-CE2 3.87Å
205	G	95.2	Very high	95.4	Very high	6 Å²	6	24.4 Å²	24.4	6%	0.062	12%	0.123	C	C	.	.	H	α-helix	trans	-61.5	-44	173.6	0	0	0	0	0	111.6	N201 V202 G209 R210	N201-G205 PolarHBondContact O-N 3.43Å; V202-G205 PolarHBondContact O-N 3.15Å; G205-G209 WeakPolarHBondContact O-CA 3.3Å; G205-G209 PolarHBondContact O-N 3.3Å; G205-G209 VanDerWaalsContact O-N 3.09Å; G205-R210 WeakPolarHBondContact CA-O 3.07Å; G205-R210 PolarHBondContact N-O 2.97Å; G205-R210 VanDerWaalsContact N-O 3.1Å
206	M	94.7	Very high	95.3	Very high	3 Å²	3	26.4 Å²	26.4	2%	0.015	13%	0.134	C	C	.	.	H	α-helix	trans	-69.2	-37.3	176.9	-66.4	-172.9	74.6	0	0	114	F150 L164 V202 I203 C204 D285 I286 I468	F150-M206 HydrophobicContact CB-CE 4.26Å; L164-M206 HydrophobicContact CD1-SD 3.75Å; V202-M206 WeakPolarHBondContact O-CG 3.43Å; V202-M206 PolarHBondContact O-N 2.86Å; V202-M206 VanDerWaalsContact O-N 3.09Å; I203-M206 HydrophobicContact CD1-CB 4.45Å; I203-M206 PolarHBondContact O-N 3.33Å; C204-M206 VanDerWaalsContact C-N 3.35Å; M206-D285 WeakPolarHBondContact O-CB 3.49Å; M206-I286 HydrophobicContact CB-CD1 4.26Å; M206-I286 WeakPolarHBondContact O-CG1 3.47Å; M206-I286 PolarHBondContact O-N 3.09Å; M206-I286 VanDerWaalsContact O-N 3.15Å; M206-I468 HydrophobicContact CE-CD1 4.12Å
207	C	95.6	Very high	95.2	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-86.5	-35	-175.3	-75.6	0	0	0	0	113.8	I203 C204 T287	I203-C207 VanDerWaalsContact O-CB 3.28Å; I203-C207 WeakPolarHBondContact O-CB 3.45Å; I203-C207 PolarHBondContact O-N 3.15Å; I203-C207 PolarHBondContact O-SG 3.05Å; C204-C207 PolarHBondContact O-N 3Å; C207-T287 WeakPolarHBondContact O-CB 3.26Å; C207-T287 PolarHBondContact O-N 2.84Å; C207-T287 PolarHBondContact O-OG1 2.97Å
208	F	95.6	Very high	94.9	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.009	18%	0.182	C	C	.	.	H	α-helix	trans	-136.3	6.2	-165.8	-50.6	-63.5	0	0	0	113.8	C204 R210 V267 L270 H274 T287 V316 F320	C204-F208 WeakPolarHBondContact O-CA 3.23Å; C204-F208 WeakPolarHBondContact O-CB 3.29Å; C204-F208 PolarHBondContact O-N 3.43Å; F208-R210 WeakPolarHBondContact O-CG 3.36Å; F208-R210 PolarHBondContact O-N 3.45Å; F208-V267 HydrophobicContact CE1-CG1 4.47Å; F208-V267 HydrophobicContact CZ-CG1 4.24Å; F208-V267 HydrophobicContact CZ-CG2 4.46Å; F208-L270 HydrophobicContact CB-CD1 4.31Å; F208-L270 HydrophobicContact CD1-CB 3.92Å; F208-L270 HydrophobicContact CD1-CD1 4.04Å; F208-L270 HydrophobicContact CD2-CD1 3.63Å; F208-L270 HydrophobicContact CE1-CB 4.16Å; F208-L270 HydrophobicContact CE1-CD1 4.25Å; F208-L270 HydrophobicContact CE2-CD1 3.85Å; F208-L270 HydrophobicContact CG-CB 4.34Å; F208-L270 HydrophobicContact CG-CD1 3.73Å; F208-L270 HydrophobicContact CZ-CD1 4.17Å; F208-H274 WeakPolarHBondContact CA-NE2 3.42Å; F208-H274 PolarHBondContact O-CE1 3.19Å; F208-H274 PolarHBondContact O-NE2 3.5Å; F208-T287 WeakPolarHBondContact CD1-OG1 3.3Å; F208-V316 HydrophobicContact CE1-CB 4.1Å; F208-V316 HydrophobicContact CE1-CG2 4.08Å; F208-V316 HydrophobicContact CZ-CB 4.26Å; F208-V316 HydrophobicContact CZ-CG2 4.41Å; F208-F320 HydrophobicContact CE2-CB 4.16Å; F208-F320 HydrophobicContact CE2-CD1 4.24Å; F208-F320 HydrophobicContact CE2-CD2 4.07Å; F208-F320 AromaticContact CE2-CG 3.91Å; F208-F320 HydrophobicContact CE2-CG 3.91Å; F208-F320 HydrophobicContact CZ-CB 4.41Å
209	G	94	Very high	94.6	Very high	54 Å²	54	36.8 Å²	36.8	56%	0.557	18%	0.182	S	C	*	.	S	Bend	trans	60.9	21.2	-178.6	0	0	0	0	0	113.9	C204 G205 D285	C204-G209 PolarHBondContact O-N 2.89Å; G205-G209 WeakPolarHBondContact O-CA 3.3Å; G205-G209 PolarHBondContact O-N 3.3Å; G205-G209 VanDerWaalsContact O-N 3.09Å; G209-D285 PolarHBondContact N-OD2 3.11Å; G209-D285 VanDerWaalsContact N-OD2 3.13Å
210	R	93.3	Very high	94.3	Very high	97 Å²	97	37.3 Å²	37.3	37%	0.366	19%	0.186	S	C	.	.			trans	-126.4	151.5	-171.4	-78	-179.5	-172.4	-165.9	5.6	113	C204 G205 F208 E273	C204-R210 CarbonylContact C-O 3.59Å; C204-R210 WeakPolarHBondContact CB-O 3.37Å; C204-R210 PolarHBondContact SG-O 2.88Å; G205-R210 WeakPolarHBondContact CA-O 3.07Å; G205-R210 PolarHBondContact N-O 2.97Å; G205-R210 VanDerWaalsContact N-O 3.1Å; F208-R210 WeakPolarHBondContact O-CG 3.36Å; F208-R210 PolarHBondContact O-N 3.45Å; R210-E273 IonicContact CZ-OE2 3.65Å; R210-E273 IonicContact NH1-OE2 3.79Å; R210-E273 PolarHBondContact NH1-OE2 3.03Å; R210-E273 IonicContact NH2-OE2 2.66Å; R210-E273 PolarHBondContact NH2-OE2 3.23Å
211	R	94.7	Very high	93.8	Very high	119 Å²	119	38.3 Å²	38.3	45%	0.449	20%	0.196	S	C	.	.			trans	-130.4	155.9	167.6	67.6	177.5	-63.4	-78.1	-0.8	110	E171 N201	E171-R211 IonicContact OE1-CZ 2.97Å; E171-R211 IonicContact OE1-NE 3.61Å; E171-R211 PolarHBondContact OE1-NE 2.64Å; E171-R211 IonicContact OE1-NH2 3.48Å; N201-R211 HydrophobicContact CB-CB 4.46Å
212	Y	95.1	Very high	93.4	Very high	25 Å²	25	38.6 Å²	38.6	10%	0.098	20%	0.197	C	C	.	.			trans	-121.2	157	178.1	-67.1	-95	0	0	0	110.7	N201 D216 L219 F266	N201-Y212 PolarHBondContact ND2-O 3Å; N201-Y212 PolarHBondContact OD1-N 2.78Å; N201-Y212 PolarHBondContact OD1-O 3.28Å; Y212-D216 HydrophobicContact CD1-CB 4.21Å; Y212-L219 HydrophobicContact CD1-CB 4.29Å; Y212-L219 HydrophobicContact CD2-CB 4.45Å; Y212-L219 HydrophobicContact CD2-CD2 3.94Å; Y212-L219 HydrophobicContact CG-CB 4.05Å; Y212-L219 HydrophobicContact CG-CD2 3.93Å; Y212-F266 HydrophobicContact CE2-CZ 4.04Å; Y212-F266 AromaticContact CZ-CZ 3.85Å; Y212-F266 WeakPolarHBondContact OH-CE2 3.35Å; Y212-F266 WeakPolarHBondContact OH-CZ 3.4Å
213	D	94.3	Very high	92.9	Very high	82 Å²	82	38.6 Å²	38.6	44%	0.439	20%	0.197	S	C	.	.			trans	-72.6	150.9	171.6	-170.6	-91.2	0	0	0	111.2	H215 D216	D213-H215 PolarHBondContact O-N 2.95Å; D213-H215 WeakPolarHBondContact OD1-CB 3.44Å; D213-H215 IonicContact OD1-CG 3.49Å; D213-H215 PolarHBondContact OD1-N 2.64Å; D213-H215 IonicContact OD1-ND1 3.68Å; D213-H215 PolarHBondContact OD1-ND1 3.29Å; D213-H215 VanDerWaalsContact OD1-ND1 3.15Å; D213-D216 VanDerWaalsContact O-CB 3.31Å; D213-D216 WeakPolarHBondContact O-CB 3.2Å; D213-D216 PolarHBondContact O-N 3.21Å
214	H	92.4	Very high	92.2	Very high	3 Å²	3	40 Å²	40	1%	0.014	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-16.1	178.2	-77	63.5	0	0	0	114.2	E178 R193 S198 V220	E178-H214 HydrophobicContact CG-CB 4.13Å; R193-H214 PolarHBondContact NH1-O 2.9Å; R193-H214 VanDerWaalsContact NH1-O 3.1Å; R193-H214 PolarHBondContact NH2-O 3.32Å; S198-H214 PolarHBondContact OG-CE1 3.46Å; S198-H214 PolarHBondContact OG-NE2 3.17Å; H214-V220 WeakPolarHBondContact O-CG2 3.45Å
215	H	92.4	Very high	91.5	Very high	103 Å²	103	43.1 Å²	43.1	48%	0.477	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.6	3.5	177.6	-54.1	86	0	0	0	113.8	E178 D213 Q217	E178-H215 IonicContact OE2-CE1 2.68Å; E178-H215 PolarHBondContact OE2-CE1 3.04Å; E178-H215 VanDerWaalsContact OE2-CE1 3.27Å; D213-H215 PolarHBondContact O-N 2.95Å; D213-H215 WeakPolarHBondContact OD1-CB 3.44Å; D213-H215 IonicContact OD1-CG 3.49Å; D213-H215 PolarHBondContact OD1-N 2.64Å; D213-H215 IonicContact OD1-ND1 3.68Å; D213-H215 PolarHBondContact OD1-ND1 3.29Å; D213-H215 VanDerWaalsContact OD1-ND1 3.15Å; H215-Q217 PolarHBondContact O-N 3.44Å; H215-Q217 PolarHBondContact O-NE2 3.49Å
216	D	94.3	Very high	91	Very high	50 Å²	50	43.1 Å²	43.1	27%	0.267	22%	0.22	S	C	.	.			trans	-62.5	117.1	177.5	-177	-84.7	0	0	0	111.3	Y212 D213 E218 L219 V220	Y212-D216 HydrophobicContact CD1-CB 4.21Å; D213-D216 VanDerWaalsContact O-CB 3.31Å; D213-D216 WeakPolarHBondContact O-CB 3.2Å; D213-D216 PolarHBondContact O-N 3.21Å; D216-E218 VanDerWaalsContact C-N 3.32Å; D216-E218 PolarHBondContact O-N 3.01Å; D216-E218 WeakPolarHBondContact OD1-CA 3.43Å; D216-E218 WeakPolarHBondContact OD1-CB 3.32Å; D216-E218 PolarHBondContact OD1-N 3.41Å; D216-L219 PolarHBondContact OD1-N 3.16Å; D216-V220 WeakPolarHBondContact O-CB 3.14Å; D216-V220 WeakPolarHBondContact O-CG2 3.2Å; D216-V220 PolarHBondContact O-N 2.94Å
217	Q	92.6	Very high	90.6	Very high	148 Å²	148	44.5 Å²	44.5	69%	0.692	23%	0.227	S	C	*	.	H	α-helix	trans	-69.4	-27.8	-173	-64.4	-64.7	-46.5	0	0	113.3	H215 G221	H215-Q217 PolarHBondContact O-N 3.44Å; H215-Q217 PolarHBondContact O-NE2 3.49Å; Q217-G221 PolarHBondContact O-N 2.9Å
218	E	90.4	Very high	90.5	Very high	70 Å²	70	45.4 Å²	45.4	33%	0.327	23%	0.232	S	C	.	.	H	α-helix	trans	-69.2	-53.3	179.2	-174	173.3	-141.3	0	0	109.3	D216 L222 F266 K269	D216-E218 VanDerWaalsContact C-N 3.32Å; D216-E218 PolarHBondContact O-N 3.01Å; D216-E218 WeakPolarHBondContact OD1-CA 3.43Å; D216-E218 WeakPolarHBondContact OD1-CB 3.32Å; D216-E218 PolarHBondContact OD1-N 3.41Å; E218-L222 WeakPolarHBondContact O-CG 3.24Å; E218-L222 PolarHBondContact O-N 3.32Å; E218-F266 HydrophobicContact CG-CD2 3.88Å; E218-F266 HydrophobicContact CG-CE2 3.98Å; E218-K269 IonicContact OE1-NZ 2.67Å; E218-K269 PolarHBondContact OE1-NZ 2.84Å; E218-K269 VanDerWaalsContact OE1-NZ 3.14Å; E218-K269 IonicContact OE2-NZ 3.14Å; E218-K269 PolarHBondContact OE2-NZ 3.39Å; E218-K269 VanDerWaalsContact OE2-NZ 3.13Å
219	L	90.8	Very high	90.4	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-67.5	-50.9	179.6	-176.2	66.2	0	0	0	111.7	V197 A200 Y212 D216 G221 L222 V223 F320	V197-L219 HydrophobicContact CG1-CD2 4Å; A200-L219 HydrophobicContact CB-CD1 4.28Å; A200-L219 HydrophobicContact CB-CD2 4.23Å; Y212-L219 HydrophobicContact CD1-CB 4.29Å; Y212-L219 HydrophobicContact CD2-CB 4.45Å; Y212-L219 HydrophobicContact CD2-CD2 3.94Å; Y212-L219 HydrophobicContact CG-CB 4.05Å; Y212-L219 HydrophobicContact CG-CD2 3.93Å; D216-L219 PolarHBondContact OD1-N 3.16Å; L219-G221 PolarHBondContact O-N 3.16Å; L219-L222 WeakPolarHBondContact O-CB 3.18Å; L219-L222 PolarHBondContact O-N 2.86Å; L219-V223 HydrophobicContact CD1-CG1 3.74Å; L219-V223 HydrophobicContact CG-CG1 4.18Å; L219-V223 WeakPolarHBondContact O-CG2 3.23Å; L219-V223 PolarHBondContact O-N 3.14Å; L219-F320 HydrophobicContact CD1-CZ 4.03Å
220	V	90.3	Very high	90.4	Very high	13 Å²	13	45.1 Å²	45.1	8%	0.079	22%	0.215	C	C	.	.	H	α-helix	trans	-57	-40.7	-179.3	170.9	0	0	0	0	110.8	V197 H214 D216 L222 N224	V197-V220 HydrophobicContact CG2-CG2 4.1Å; H214-V220 WeakPolarHBondContact O-CG2 3.45Å; D216-V220 WeakPolarHBondContact O-CB 3.14Å; D216-V220 WeakPolarHBondContact O-CG2 3.2Å; D216-V220 PolarHBondContact O-N 2.94Å; V220-L222 VanDerWaalsContact C-N 3.25Å; V220-L222 PolarHBondContact O-N 2.82Å; V220-N224 WeakPolarHBondContact CG1-ND2 3.06Å; V220-N224 VanDerWaalsContact O-CB 3.31Å; V220-N224 WeakPolarHBondContact O-CB 3.45Å; V220-N224 PolarHBondContact O-N 3.02Å; V220-N224 PolarHBondContact O-ND2 3.29Å
221	G	87.8	Confident	90.4	Very high	21 Å²	21	44.9 Å²	44.9	22%	0.216	22%	0.217	C	C	.	.	H	α-helix	trans	-70.1	-16.3	178.1	0	0	0	0	0	114.7	Q217 L219 L225 R262	Q217-G221 PolarHBondContact O-N 2.9Å; L219-G221 PolarHBondContact O-N 3.16Å; G221-L225 VanDerWaalsContact O-CD1 3.25Å; G221-L225 WeakPolarHBondContact O-CD1 3.37Å; G221-L225 WeakPolarHBondContact O-CG 3.44Å; G221-R262 PolarHBondContact O-NH1 3.49Å; G221-R262 PolarHBondContact O-NH2 3.48Å
222	L	88.8	Confident	90.3	Very high	6 Å²	6	39.3 Å²	39.3	3%	0.031	20%	0.196	C	C	.	.	H	α-helix	trans	-90.9	-53.8	173.5	-72.7	168.1	0	0	0	111	E218 L219 V220 L225 I259 R262 F266	E218-L222 WeakPolarHBondContact O-CG 3.24Å; E218-L222 PolarHBondContact O-N 3.32Å; L219-L222 WeakPolarHBondContact O-CB 3.18Å; L219-L222 PolarHBondContact O-N 2.86Å; V220-L222 VanDerWaalsContact C-N 3.25Å; V220-L222 PolarHBondContact O-N 2.82Å; L222-L225 PolarHBondContact O-N 3.44Å; L222-I259 HydrophobicContact CD2-CD1 4.13Å; L222-R262 HydrophobicContact CD2-CB 3.8Å; L222-F266 HydrophobicContact CD1-CB 3.69Å; L222-F266 HydrophobicContact CD1-CD1 3.8Å; L222-F266 HydrophobicContact CD1-CD2 3.57Å; L222-F266 HydrophobicContact CD1-CE1 4.3Å; L222-F266 HydrophobicContact CD1-CE2 4.09Å; L222-F266 HydrophobicContact CD1-CG 3.39Å; L222-F266 HydrophobicContact CD1-CZ 4.42Å
223	V	87.2	Confident	90.3	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-73.2	-33.1	-170	-58.2	0	0	0	0	113	V196 V197 A200 L219 L225 A226 F324	V196-V223 HydrophobicContact CB-CG2 4.45Å; V196-V223 HydrophobicContact CG1-CB 4.37Å; V196-V223 HydrophobicContact CG1-CG2 3.67Å; V196-V223 HydrophobicContact CG2-CB 3.74Å; V196-V223 HydrophobicContact CG2-CG2 3.98Å; V197-V223 HydrophobicContact CG2-CG2 4.38Å; A200-V223 HydrophobicContact CB-CG1 3.97Å; L219-V223 HydrophobicContact CD1-CG1 3.74Å; L219-V223 HydrophobicContact CG-CG1 4.18Å; L219-V223 WeakPolarHBondContact O-CG2 3.23Å; L219-V223 PolarHBondContact O-N 3.14Å; V223-L225 PolarHBondContact O-N 3.17Å; V223-A226 VanDerWaalsContact O-CB 3.23Å; V223-A226 WeakPolarHBondContact O-CB 3.49Å; V223-A226 PolarHBondContact O-N 3.18Å; V223-F324 HydrophobicContact CB-CD2 4.24Å; V223-F324 HydrophobicContact CB-CE2 4.17Å; V223-F324 HydrophobicContact CG1-CD2 4.08Å; V223-F324 HydrophobicContact CG1-CE2 4.15Å; V223-F324 HydrophobicContact CG1-CG 4.32Å; V223-F324 HydrophobicContact CG1-CZ 4.41Å
224	N	81	Confident	90.2	Very high	39 Å²	39	34.4 Å²	34.4	21%	0.209	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-18.4	175.5	-75.6	-35.7	0	0	0	113.2	R193 V220 A226	R193-N224 VanDerWaalsContact CD-ND2 3.31Å; R193-N224 WeakPolarHBondContact CD-ND2 3.48Å; V220-N224 WeakPolarHBondContact CG1-ND2 3.06Å; V220-N224 VanDerWaalsContact O-CB 3.31Å; V220-N224 WeakPolarHBondContact O-CB 3.45Å; V220-N224 PolarHBondContact O-N 3.02Å; V220-N224 PolarHBondContact O-ND2 3.29Å; N224-A226 VanDerWaalsContact C-N 3.34Å
225	L	82.3	Confident	90.1	Very high	64 Å²	64	34.5 Å²	34.5	34%	0.335	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	3.9	176.4	-64.7	-176	0	0	0	113.2	G221 L222 V223 E227 D228 I259	G221-L225 VanDerWaalsContact O-CD1 3.25Å; G221-L225 WeakPolarHBondContact O-CD1 3.37Å; G221-L225 WeakPolarHBondContact O-CG 3.44Å; L222-L225 PolarHBondContact O-N 3.44Å; V223-L225 PolarHBondContact O-N 3.17Å; L225-E227 PolarHBondContact O-N 3.04Å; L225-E227 VanDerWaalsContact O-N 3.11Å; L225-D228 PolarHBondContact O-N 2.99Å; L225-I259 HydrophobicContact CB-CD1 3.83Å; L225-I259 HydrophobicContact CB-CG1 4.3Å; L225-I259 HydrophobicContact CD1-CD1 4.42Å
226	A	83.9	Confident	90	Very high	6 Å²	6	30.2 Å²	30.2	5%	0.05	16%	0.157	C	C	.	.	H	α-helix	trans	-58.3	-24.3	176.5	0	0	0	0	0	113	V223 N224 D228 F229 V230 F324 D325	V223-A226 VanDerWaalsContact O-CB 3.23Å; V223-A226 WeakPolarHBondContact O-CB 3.49Å; V223-A226 PolarHBondContact O-N 3.18Å; N224-A226 VanDerWaalsContact C-N 3.34Å; A226-D228 VanDerWaalsContact C-N 3.27Å; A226-D228 PolarHBondContact O-N 3.33Å; A226-F229 WeakPolarHBondContact O-CA 3.43Å; A226-F229 VanDerWaalsContact O-CB 3.28Å; A226-F229 WeakPolarHBondContact O-CB 3.41Å; A226-F229 PolarHBondContact O-N 3.41Å; A226-V230 PolarHBondContact O-N 3.49Å; A226-V230 VanDerWaalsContact O-N 3.11Å; A226-F324 HydrophobicContact CB-CE2 3.74Å; A226-F324 HydrophobicContact CB-CZ 4.22Å; A226-D325 WeakPolarHBondContact CB-OD1 3.49Å
227	E	86.9	Confident	90	Very high	32 Å²	32	28.9 Å²	28.9	15%	0.15	15%	0.15	C	C	.	.	H	α-helix	trans	-56.1	-39.1	170.8	-75	-170.9	-156	0	0	113.7	L225 F229 V230 K231 K505 R508	L225-E227 PolarHBondContact O-N 3.04Å; L225-E227 VanDerWaalsContact O-N 3.11Å; E227-F229 PolarHBondContact O-N 3.13Å; E227-V230 WeakPolarHBondContact O-CG2 3.43Å; E227-V230 PolarHBondContact O-N 2.93Å; E227-K231 WeakPolarHBondContact O-CB 3.25Å; E227-K231 WeakPolarHBondContact O-CD 3.45Å; E227-K231 VanDerWaalsContact O-CG 3.25Å; E227-K231 WeakPolarHBondContact O-CG 3.33Å; E227-K231 PolarHBondContact O-N 2.95Å; E227-K231 VanDerWaalsContact O-N 3.13Å; E227-K231 IonicContact OE2-NZ 2.81Å; E227-K231 PolarHBondContact OE2-NZ 2.63Å; E227-K505 HydrophobicContact CG-CG 4.38Å; E227-R508 IonicContact OE1-CZ 3.4Å; E227-R508 VanDerWaalsContact OE1-CZ 3.27Å; E227-R508 IonicContact OE1-NE 3.55Å; E227-R508 PolarHBondContact OE1-NE 3Å; E227-R508 IonicContact OE1-NH2 3.28Å; E227-R508 PolarHBondContact OE1-NH2 2.96Å
228	D	91.8	Very high	90	Very high	20 Å²	20	24.4 Å²	24.4	11%	0.107	13%	0.134	C	C	.	.	H	α-helix	trans	-69.8	-23.4	179	-74.9	-26.2	0	0	0	111	L225 A226 K255	L225-D228 PolarHBondContact O-N 2.99Å; A226-D228 VanDerWaalsContact C-N 3.27Å; A226-D228 PolarHBondContact O-N 3.33Å; D228-K255 HydrophobicContact CB-CB 4.1Å; D228-K255 VanDerWaalsContact CG-NZ 3.27Å; D228-K255 IonicContact OD1-NZ 2.68Å; D228-K255 PolarHBondContact OD1-NZ 2.78Å; D228-K255 IonicContact OD2-NZ 2.67Å; D228-K255 PolarHBondContact OD2-NZ 2.87Å
229	F	94.5	Very high	90.1	Very high	46 Å²	46	21.1 Å²	21.1	20%	0.202	12%	0.119	C	C	.	.	H	α-helix	trans	-72.1	-52.1	171.4	-175.5	-87.4	0	0	0	111.9	I120 F128 A226 E227 K231 V232 T233 F256 L502	I120-F229 HydrophobicContact CD1-CE2 4.11Å; I120-F229 HydrophobicContact CD1-CZ 3.91Å; I120-F229 HydrophobicContact CG1-CE2 4.04Å; I120-F229 HydrophobicContact CG1-CZ 4.32Å; I120-F229 HydrophobicContact CG2-CE2 4.14Å; I120-F229 HydrophobicContact CG2-CZ 4.26Å; F128-F229 HydrophobicContact CE2-CE1 4.46Å; F128-F229 HydrophobicContact CE2-CZ 4.01Å; F128-F229 HydrophobicContact CZ-CE1 4.21Å; F128-F229 HydrophobicContact CZ-CZ 4.12Å; A226-F229 WeakPolarHBondContact O-CA 3.43Å; A226-F229 VanDerWaalsContact O-CB 3.28Å; A226-F229 WeakPolarHBondContact O-CB 3.41Å; A226-F229 PolarHBondContact O-N 3.41Å; E227-F229 PolarHBondContact O-N 3.13Å; F229-K231 PolarHBondContact O-N 3.47Å; F229-V232 PolarHBondContact O-N 3.09Å; F229-T233 HydrophobicContact CD1-CG2 4.23Å; F229-T233 HydrophobicContact CE1-CG2 3.84Å; F229-T233 HydrophobicContact CE2-CG2 4.38Å; F229-T233 HydrophobicContact CZ-CG2 3.93Å; F229-T233 PolarHBondContact O-N 3.31Å; F229-T233 VanDerWaalsContact O-N 3.15Å; F229-T233 PolarHBondContact O-OG1 3.41Å; F229-F256 HydrophobicContact CD2-CD2 4.33Å; F229-F256 AromaticContact CD2-CE2 3.67Å; F229-F256 HydrophobicContact CD2-CE2 3.67Å; F229-F256 AromaticContact CE2-CE2 3.98Å; F229-F256 HydrophobicContact CE2-CE2 3.98Å; F229-F256 HydrophobicContact CE2-CZ 4.44Å; F229-F256 HydrophobicContact CG-CE2 4.17Å; F229-L502 HydrophobicContact CE1-CD2 4.37Å
230	V	93.4	Very high	90.3	Very high	3 Å²	3	21.7 Å²	21.7	2%	0.018	12%	0.122	C	C	.	.	H	α-helix	trans	-73.7	-29.5	-170.7	-56.7	0	0	0	0	112.8	A226 E227 V232 T233 G234 G501 L502 T503	A226-V230 PolarHBondContact O-N 3.49Å; A226-V230 VanDerWaalsContact O-N 3.11Å; E227-V230 WeakPolarHBondContact O-CG2 3.43Å; E227-V230 PolarHBondContact O-N 2.93Å; V230-V232 VanDerWaalsContact C-N 3.3Å; V230-V232 PolarHBondContact O-N 3.3Å; V230-T233 WeakPolarHBondContact CA-OG1 3.45Å; V230-G234 PolarHBondContact O-N 2.9Å; V230-G234 VanDerWaalsContact O-N 3.16Å; V230-G501 CarbonylContact O-C 3.55Å; V230-G501 VanDerWaalsContact O-CA 3.26Å; V230-G501 WeakPolarHBondContact O-CA 3.43Å; V230-L502 HydrophobicContact CB-CB 4.2Å; V230-L502 HydrophobicContact CG1-CB 4.49Å; V230-L502 PolarHBondContact O-N 2.81Å; V230-T503 WeakPolarHBondContact CG1-OG1 3.2Å
231	K	93.1	Very high	90.4	Very high	92 Å²	92	21.6 Å²	21.6	40%	0.4	12%	0.12	S	C	.	.	H	α-helix	trans	-63	-35.8	175.6	-75.5	169.2	-172.2	163.4	0	112.3	E227 F229	E227-K231 WeakPolarHBondContact O-CB 3.25Å; E227-K231 WeakPolarHBondContact O-CD 3.45Å; E227-K231 VanDerWaalsContact O-CG 3.25Å; E227-K231 WeakPolarHBondContact O-CG 3.33Å; E227-K231 PolarHBondContact O-N 2.95Å; E227-K231 VanDerWaalsContact O-N 3.13Å; E227-K231 IonicContact OE2-NZ 2.81Å; E227-K231 PolarHBondContact OE2-NZ 2.63Å; F229-K231 PolarHBondContact O-N 3.47Å
232	V	94.3	Very high	90.6	Very high	2 Å²	2	22 Å²	22	1%	0.012	12%	0.117	C	C	.	.	H	α-helix	trans	-86.7	-32.8	-178.7	165.8	0	0	0	0	112.6	F229 V230 N237 S252 M253 F256	F229-V232 PolarHBondContact O-N 3.09Å; V230-V232 VanDerWaalsContact C-N 3.3Å; V230-V232 PolarHBondContact O-N 3.3Å; V232-N237 WeakPolarHBondContact CG1-ND2 3.46Å; V232-N237 WeakPolarHBondContact O-CB 3.42Å; V232-N237 PolarHBondContact O-ND2 3.01Å; V232-S252 VanDerWaalsContact CG2-OG 3.32Å; V232-S252 WeakPolarHBondContact CG2-OG 3.07Å; V232-M253 HydrophobicContact CB-SD 4.42Å; V232-M253 HydrophobicContact CG1-CE 4.08Å; V232-M253 HydrophobicContact CG1-SD 3.44Å; V232-M253 WeakPolarHBondContact CG1-SD 3.48Å; V232-M253 HydrophobicContact CG2-SD 4.07Å; V232-F256 HydrophobicContact CB-CB 4.05Å; V232-F256 HydrophobicContact CB-CD1 4.48Å; V232-F256 HydrophobicContact CB-CD2 3.58Å; V232-F256 HydrophobicContact CB-CE2 4.12Å; V232-F256 HydrophobicContact CB-CG 3.79Å; V232-F256 HydrophobicContact CG1-CB 4.08Å; V232-F256 HydrophobicContact CG1-CD1 3.73Å; V232-F256 HydrophobicContact CG1-CD2 3.63Å; V232-F256 HydrophobicContact CG1-CE1 3.97Å; V232-F256 HydrophobicContact CG1-CE2 3.93Å; V232-F256 HydrophobicContact CG1-CG 3.52Å; V232-F256 HydrophobicContact CG1-CZ 4.07Å; V232-F256 HydrophobicContact CG2-CB 3.77Å; V232-F256 HydrophobicContact CG2-CD2 4.23Å; V232-F256 HydrophobicContact CG2-CG 4.09Å
233	T	94.1	Very high	90.7	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.012	14%	0.141	C	C	.	.	H	α-helix	trans	-85.8	-6.1	-178.4	51	0	0	0	0	114.1	I120 F128 F229 V230 F256 L502	I120-T233 HydrophobicContact CD1-CG2 3.77Å; F128-T233 HydrophobicContact CE1-CG2 4.49Å; F229-T233 HydrophobicContact CD1-CG2 4.23Å; F229-T233 HydrophobicContact CE1-CG2 3.84Å; F229-T233 HydrophobicContact CE2-CG2 4.38Å; F229-T233 HydrophobicContact CZ-CG2 3.93Å; F229-T233 PolarHBondContact O-N 3.31Å; F229-T233 VanDerWaalsContact O-N 3.15Å; F229-T233 PolarHBondContact O-OG1 3.41Å; V230-T233 WeakPolarHBondContact CA-OG1 3.45Å; T233-F256 HydrophobicContact CG2-CE2 3.61Å; T233-F256 HydrophobicContact CG2-CZ 3.85Å; T233-L502 WeakPolarHBondContact OG1-CB 3.47Å
234	G	92.5	Very high	90.8	Very high	3 Å²	3	28.6 Å²	28.6	3%	0.031	17%	0.166	C	C	.	.	S	Bend	trans	-58.7	138.2	171.8	0	0	0	0	0	112.4	V230 G236 N237	V230-G234 PolarHBondContact O-N 2.9Å; V230-G234 VanDerWaalsContact O-N 3.16Å; G234-G236 PolarHBondContact O-N 3.27Å; G234-N237 PolarHBondContact O-N 3.42Å
235	S	90.9	Very high	91.3	Very high	4 Å²	4	29.4 Å²	29.4	3%	0.028	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	127.4	-178.9	-64.6	0	0	0	0	111.6	Y500	S235-Y500 PolarHBondContact N-OH 3.37Å; S235-Y500 PolarHBondContact O-OH 2.86Å
236	G	89.9	Confident	91.8	Very high	13 Å²	13	28.9 Å²	28.9	13%	0.134	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.8	14.9	178.7	0	0	0	0	0	115.5	G234 P238	G234-G236 PolarHBondContact O-N 3.27Å; G236-P238 VanDerWaalsContact O-CD 3.29Å; G236-P238 WeakPolarHBondContact O-CD 3.2Å; G236-P238 VanDerWaalsContact O-N 3.17Å
237	N	93.3	Very high	92.1	Very high	23 Å²	23	36.3 Å²	36.3	12%	0.123	20%	0.199	C	C	.	.			trans	-53.9	117.4	169.5	174.8	4.2	0	0	0	111.1	V232 G234 A239 D240 F241	V232-N237 WeakPolarHBondContact CG1-ND2 3.46Å; V232-N237 WeakPolarHBondContact O-CB 3.42Å; V232-N237 PolarHBondContact O-ND2 3.01Å; G234-N237 PolarHBondContact O-N 3.42Å; N237-A239 PolarHBondContact O-N 2.89Å; N237-A239 VanDerWaalsContact O-N 3.07Å; N237-A239 PolarHBondContact OD1-N 3.18Å; N237-A239 VanDerWaalsContact OD1-N 3.14Å; N237-D240 WeakPolarHBondContact O-CB 3.24Å; N237-D240 PolarHBondContact O-N 3.2Å; N237-F241 VanDerWaalsContact O-CD2 3.26Å; N237-F241 WeakPolarHBondContact O-CD2 3.15Å
238	P	92.4	Very high	92.3	Very high	53 Å²	53	40 Å²	40	34%	0.344	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-56.1	-31.2	-175	-28.1	36	0	0	0	114.9	L57 G236 D240 F241 I242 L245	L57-P238 HydrophobicContact CD2-CB 4.44Å; L57-P238 HydrophobicContact CD2-CG 4.09Å; G236-P238 VanDerWaalsContact O-CD 3.29Å; G236-P238 WeakPolarHBondContact O-CD 3.2Å; G236-P238 VanDerWaalsContact O-N 3.17Å; P238-D240 PolarHBondContact O-N 3.27Å; P238-F241 PolarHBondContact O-N 2.63Å; P238-F241 VanDerWaalsContact O-N 3.13Å; P238-I242 PolarHBondContact O-N 3.41Å; P238-L245 HydrophobicContact CB-CD1 3.54Å
239	A	92.9	Very high	92.3	Very high	2 Å²	2	44.7 Å²	44.7	2%	0.017	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-63.5	-23.6	179.9	0	0	0	0	0	113.2	N237 F241 Q246 M253	N237-A239 PolarHBondContact O-N 2.89Å; N237-A239 VanDerWaalsContact O-N 3.07Å; N237-A239 PolarHBondContact OD1-N 3.18Å; N237-A239 VanDerWaalsContact OD1-N 3.14Å; A239-F241 VanDerWaalsContact C-N 3.33Å; A239-Q246 WeakPolarHBondContact O-CG 3.36Å; A239-Q246 PolarHBondContact O-NE2 2.7Å; A239-M253 HydrophobicContact CB-CG 4.32Å; A239-M253 HydrophobicContact CB-SD 4.34Å
240	D	94.2	Very high	92.2	Very high	11 Å²	11	44.9 Å²	44.9	6%	0.059	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-79.8	-17.1	178.5	-69.8	-33.5	0	0	0	113.7	L114 Y115 S116 N237 P238	L114-D240 HydrophobicContact CB-CB 4.06Å; L114-D240 HydrophobicContact CD1-CB 4.45Å; L114-D240 HydrophobicContact CD2-CB 4.1Å; L114-D240 HydrophobicContact CG-CB 4.41Å; Y115-D240 PolarHBondContact N-OD1 3.26Å; S116-D240 VanDerWaalsContact CB-OD1 3.24Å; S116-D240 WeakPolarHBondContact CB-OD1 3.39Å; S116-D240 PolarHBondContact N-OD1 3.09Å; S116-D240 PolarHBondContact OG-OD1 3.17Å; S116-D240 PolarHBondContact OG-OD2 2.99Å; N237-D240 WeakPolarHBondContact O-CB 3.24Å; N237-D240 PolarHBondContact O-N 3.2Å; P238-D240 PolarHBondContact O-N 3.27Å
241	F	92.8	Very high	92.2	Very high	12 Å²	12	52.6 Å²	52.6	5%	0.053	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.9	-19.6	-171	-61.5	-83.9	0	0	0	113.5	I83 R86 V88 L114 N237 P238 A239 F413	I83-F241 HydrophobicContact CB-CB 3.93Å; I83-F241 HydrophobicContact CB-CD1 3.83Å; I83-F241 HydrophobicContact CB-CD2 4.15Å; I83-F241 HydrophobicContact CB-CE1 4.39Å; I83-F241 HydrophobicContact CB-CG 3.7Å; I83-F241 HydrophobicContact CD1-CD2 4.32Å; I83-F241 HydrophobicContact CD1-CE1 4.41Å; I83-F241 HydrophobicContact CD1-CE2 4.13Å; I83-F241 HydrophobicContact CD1-CZ 4.17Å; I83-F241 HydrophobicContact CG2-CB 3.47Å; I83-F241 VanDerWaalsContact CG2-CB 3.47Å; I83-F241 HydrophobicContact CG2-CD1 4.14Å; I83-F241 HydrophobicContact CG2-CD2 3.62Å; I83-F241 HydrophobicContact CG2-CE2 4.42Å; I83-F241 HydrophobicContact CG2-CG 3.47Å; I83-F241 VanDerWaalsContact CG2-CG 3.47Å; R86-F241 HydrophobicContact CB-CD1 4.04Å; R86-F241 HydrophobicContact CG-CD1 4.38Å; V88-F241 HydrophobicContact CG2-CD1 4.4Å; V88-F241 HydrophobicContact CG2-CE1 3.71Å; V88-F241 HydrophobicContact CG2-CZ 4.33Å; L114-F241 HydrophobicContact CD2-CE1 4.27Å; L114-F241 HydrophobicContact CD2-CZ 4.11Å; N237-F241 VanDerWaalsContact O-CD2 3.26Å; N237-F241 WeakPolarHBondContact O-CD2 3.15Å; P238-F241 PolarHBondContact O-N 2.63Å; P238-F241 VanDerWaalsContact O-N 3.13Å; A239-F241 VanDerWaalsContact C-N 3.33Å; F241-F413 HydrophobicContact CE2-CZ 4.43Å; F241-F413 HydrophobicContact CZ-CE1 4.38Å; F241-F413 AromaticContact CZ-CZ 3.91Å; F241-F413 HydrophobicContact CZ-CZ 3.91Å
242	I	92.2	Very high	92.2	Very high	28 Å²	28	50.4 Å²	50.4	14%	0.144	28%	0.284	C	S	.	.			trans	-116.5	101.3	177.6	-58.6	175.5	0	0	0	109.1	L57 P238 A244 L245	L57-I242 HydrophobicContact CD1-CD1 3.32Å; L57-I242 HydrophobicContact CD1-CG1 4.24Å; P238-I242 PolarHBondContact O-N 3.41Å; I242-A244 HydrophobicContact CG2-CB 4.21Å; I242-A244 PolarHBondContact O-N 2.74Å; I242-A244 VanDerWaalsContact O-N 3.14Å; I242-L245 HydrophobicContact CB-CD1 3.95Å; I242-L245 HydrophobicContact CB-CG 3.96Å; I242-L245 HydrophobicContact CD1-CD1 4.14Å; I242-L245 HydrophobicContact CG2-CD1 4.35Å; I242-L245 HydrophobicContact CG2-CG 3.91Å; I242-L245 WeakPolarHBondContact O-CB 3.31Å; I242-L245 PolarHBondContact O-N 3.1Å
243	P	90.5	Very high	92.2	Very high	82 Å²	82	51 Å²	51	53%	0.532	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-35	-177.6	-29.3	36.1	0	0	0	114.5	L245 Q246 H247	P243-L245 PolarHBondContact O-N 3.12Å; P243-Q246 VanDerWaalsContact O-CB 3.27Å; P243-Q246 WeakPolarHBondContact O-CB 3.29Å; P243-Q246 PolarHBondContact O-N 3.17Å; P243-H247 PolarHBondContact O-CD2 2.67Å
244	A	90.4	Very high	92.2	Very high	63 Å²	63	57.8 Å²	57.8	52%	0.521	32%	0.316	S	S	.	.	H	α-helix	trans	-57.5	-34.4	177.5	0	0	0	0	0	112.9	I242 Q246 H247 L248	I242-A244 HydrophobicContact CG2-CB 4.21Å; I242-A244 PolarHBondContact O-N 2.74Å; I242-A244 VanDerWaalsContact O-N 3.14Å; A244-Q246 PolarHBondContact O-N 3.11Å; A244-H247 PolarHBondContact O-N 3.11Å; A244-L248 WeakPolarHBondContact O-CG 3.49Å; A244-L248 PolarHBondContact O-N 2.62Å
245	L	91.3	Very high	92.4	Very high	56 Å²	56	61.7 Å²	61.7	29%	0.293	33%	0.332	S	S	.	.	H	α-helix	trans	-70.4	-16.4	179.5	-62.6	-176.8	0	0	0	113.3	P238 I242 P243 H247 L248	P238-L245 HydrophobicContact CB-CD1 3.54Å; I242-L245 HydrophobicContact CB-CD1 3.95Å; I242-L245 HydrophobicContact CB-CG 3.96Å; I242-L245 HydrophobicContact CD1-CD1 4.14Å; I242-L245 HydrophobicContact CG2-CD1 4.35Å; I242-L245 HydrophobicContact CG2-CG 3.91Å; I242-L245 WeakPolarHBondContact O-CB 3.31Å; I242-L245 PolarHBondContact O-N 3.1Å; P243-L245 PolarHBondContact O-N 3.12Å; L245-H247 VanDerWaalsContact C-N 3.32Å; L245-L248 HydrophobicContact CD2-CD1 4.15Å
246	Q	91.9	Very high	92.6	Very high	54 Å²	54	61.5 Å²	61.5	25%	0.252	33%	0.33	S	S	.	.	H	α-helix	trans	-75.9	-25	177.7	-55.5	174.6	7.5	0	0	111.7	Y115 A239 P243 A244	Y115-Q246 HydrophobicContact CD1-CB 4.36Å; Y115-Q246 HydrophobicContact CD1-CG 3.74Å; Y115-Q246 HydrophobicContact CD2-CB 4.41Å; Y115-Q246 HydrophobicContact CD2-CG 4.04Å; Y115-Q246 HydrophobicContact CE1-CB 4.07Å; Y115-Q246 HydrophobicContact CE1-CG 3.97Å; Y115-Q246 HydrophobicContact CE2-CB 4.15Å; Y115-Q246 HydrophobicContact CE2-CG 4.26Å; Y115-Q246 HydrophobicContact CG-CG 3.78Å; A239-Q246 WeakPolarHBondContact O-CG 3.36Å; A239-Q246 PolarHBondContact O-NE2 2.7Å; P243-Q246 VanDerWaalsContact O-CB 3.27Å; P243-Q246 WeakPolarHBondContact O-CB 3.29Å; P243-Q246 PolarHBondContact O-N 3.17Å; A244-Q246 PolarHBondContact O-N 3.11Å
247	H	90.3	Very high	92.9	Very high	162 Å²	162	62.5 Å²	62.5	75%	0.75	33%	0.334	S	S	*	.	H	α-helix	trans	-96	-15.3	-179.6	-59.2	-65.2	0	0	0	113.1	P243 A244 L245	P243-H247 PolarHBondContact O-CD2 2.67Å; A244-H247 PolarHBondContact O-N 3.11Å; L245-H247 VanDerWaalsContact C-N 3.32Å
248	L	92.2	Very high	92.9	Very high	108 Å²	108	65.9 Å²	65.9	57%	0.565	35%	0.352	S	S	*	.	S	Bend	trans	-83	149.5	178.4	-65.9	177.2	0	0	0	111.7	A244 L245 N250	A244-L248 WeakPolarHBondContact O-CG 3.49Å; A244-L248 PolarHBondContact O-N 2.62Å; L245-L248 HydrophobicContact CD2-CD1 4.15Å; L248-N250 PolarHBondContact O-N 3.18Å
249	P	90.6	Very high	93	Very high	120 Å²	120	63.9 Å²	63.9	78%	0.779	34%	0.338	S	S	*	.			trans	-59.5	105.8	175.1	-23.8	34	0	0	0	112.1
250	N	92.9	Very high	93.1	Very high	50 Å²	50	63.9 Å²	63.9	27%	0.267	34%	0.338	S	S	.	.			trans	-116.2	110.4	178.9	-175.3	-27.4	0	0	0	110.9	L248 S252 M253 K254	L248-N250 PolarHBondContact O-N 3.18Å; N250-S252 VanDerWaalsContact C-N 3.32Å; N250-S252 PolarHBondContact O-N 3.17Å; N250-S252 WeakPolarHBondContact OD1-CA 3.31Å; N250-S252 WeakPolarHBondContact OD1-CB 3.2Å; N250-S252 PolarHBondContact OD1-N 3.42Å; N250-M253 HydrophobicContact CB-CB 4.06Å; N250-M253 HydrophobicContact CB-CG 4.17Å; N250-M253 PolarHBondContact O-N 2.9Å; N250-M253 PolarHBondContact OD1-N 3.07Å; N250-M253 VanDerWaalsContact OD1-N 3.12Å; N250-K254 WeakPolarHBondContact O-CG 3.36Å; N250-K254 PolarHBondContact O-N 2.67Å
251	K	93.5	Very high	93.1	Very high	165 Å²	165	67 Å²	67	72%	0.717	35%	0.354	S	S	*	.	H	α-helix	trans	-62.4	-37.3	-179.5	-172.9	178	178.9	-179.3	0	112.3	K254 K255	K251-K254 PolarHBondContact O-N 2.91Å; K251-K255 HydrophobicContact CG-CD 4.33Å; K251-K255 WeakPolarHBondContact O-CG 3.14Å; K251-K255 PolarHBondContact O-N 3.34Å
252	S	93.1	Very high	93.1	Very high	46 Å²	46	70.7 Å²	70.7	32%	0.322	37%	0.368	S	S	.	.	H	α-helix	trans	-65.5	-46.7	178.7	-162.4	0	0	0	0	110.9	V232 N250 K254 K255 F256	V232-S252 VanDerWaalsContact CG2-OG 3.32Å; V232-S252 WeakPolarHBondContact CG2-OG 3.07Å; N250-S252 VanDerWaalsContact C-N 3.32Å; N250-S252 PolarHBondContact O-N 3.17Å; N250-S252 WeakPolarHBondContact OD1-CA 3.31Å; N250-S252 WeakPolarHBondContact OD1-CB 3.2Å; N250-S252 PolarHBondContact OD1-N 3.42Å; S252-K254 PolarHBondContact O-N 3.02Å; S252-K255 PolarHBondContact O-N 3.2Å; S252-F256 WeakPolarHBondContact O-CB 3.31Å; S252-F256 PolarHBondContact O-N 3.3Å
253	M	94.7	Very high	93.2	Very high	13 Å²	13	70.3 Å²	70.3	6%	0.064	37%	0.365	C	S	.	.	H	α-helix	trans	-64.3	-39.5	176	-71.5	-54	-58.3	0	0	112.2	Y115 F119 V232 A239 N250 K255 F256 V257	Y115-M253 HydrophobicContact CD1-CE 3.95Å; Y115-M253 HydrophobicContact CE1-CE 3.72Å; F119-M253 HydrophobicContact CD2-CE 4.44Å; V232-M253 HydrophobicContact CB-SD 4.42Å; V232-M253 HydrophobicContact CG1-CE 4.08Å; V232-M253 HydrophobicContact CG1-SD 3.44Å; V232-M253 WeakPolarHBondContact CG1-SD 3.48Å; V232-M253 HydrophobicContact CG2-SD 4.07Å; A239-M253 HydrophobicContact CB-CG 4.32Å; A239-M253 HydrophobicContact CB-SD 4.34Å; N250-M253 HydrophobicContact CB-CB 4.06Å; N250-M253 HydrophobicContact CB-CG 4.17Å; N250-M253 PolarHBondContact O-N 2.9Å; N250-M253 PolarHBondContact OD1-N 3.07Å; N250-M253 VanDerWaalsContact OD1-N 3.12Å; M253-K255 PolarHBondContact O-N 3.33Å; M253-F256 HydrophobicContact CE-CD1 3.86Å; M253-F256 HydrophobicContact CE-CE1 4.4Å; M253-F256 WeakPolarHBondContact O-CB 3.42Å; M253-F256 PolarHBondContact O-N 3.47Å; M253-V257 WeakPolarHBondContact O-CG2 3.37Å; M253-V257 PolarHBondContact O-N 3.1Å
254	K	94.8	Very high	93.3	Very high	146 Å²	146	67 Å²	67	64%	0.635	34%	0.343	S	S	*	.	H	α-helix	trans	-60.1	-44.7	175.8	-74.8	-179.6	-179.8	-175	0	112.3	N250 K251 S252 N258	N250-K254 WeakPolarHBondContact O-CG 3.36Å; N250-K254 PolarHBondContact O-N 2.67Å; K251-K254 PolarHBondContact O-N 2.91Å; S252-K254 PolarHBondContact O-N 3.02Å; K254-N258 WeakPolarHBondContact O-CB 3.31Å; K254-N258 PolarHBondContact O-N 2.98Å
255	K	95.3	Very high	93.4	Very high	84 Å²	84	69.4 Å²	69.4	37%	0.365	35%	0.348	S	S	.	.	H	α-helix	trans	-62.4	-45.3	175.2	-75.4	167.3	136	-117.3	0	111.5	D228 K251 S252 M253 N258 I259	D228-K255 HydrophobicContact CB-CB 4.1Å; D228-K255 VanDerWaalsContact CG-NZ 3.27Å; D228-K255 IonicContact OD1-NZ 2.68Å; D228-K255 PolarHBondContact OD1-NZ 2.78Å; D228-K255 IonicContact OD2-NZ 2.67Å; D228-K255 PolarHBondContact OD2-NZ 2.87Å; K251-K255 HydrophobicContact CG-CD 4.33Å; K251-K255 WeakPolarHBondContact O-CG 3.14Å; K251-K255 PolarHBondContact O-N 3.34Å; S252-K255 PolarHBondContact O-N 3.2Å; M253-K255 PolarHBondContact O-N 3.33Å; K255-N258 PolarHBondContact O-N 3.32Å; K255-I259 WeakPolarHBondContact O-CG2 3.35Å; K255-I259 PolarHBondContact O-N 3.26Å
256	F	95.8	Very high	93.5	Very high	0 Å²	0	67 Å²	67	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-58.1	-47.4	176.7	176.3	-102	0	0	0	113.1	S116 F119 I120 F229 V232 T233 S252 M253 N258 I259 N260	S116-F256 WeakPolarHBondContact O-CE1 3.16Å; F119-F256 HydrophobicContact CB-CE1 4.02Å; I120-F256 HydrophobicContact CD1-CZ 4.06Å; I120-F256 HydrophobicContact CG1-CE1 4.43Å; I120-F256 HydrophobicContact CG1-CZ 3.66Å; F229-F256 HydrophobicContact CD2-CD2 4.33Å; F229-F256 AromaticContact CD2-CE2 3.67Å; F229-F256 HydrophobicContact CD2-CE2 3.67Å; F229-F256 AromaticContact CE2-CE2 3.98Å; F229-F256 HydrophobicContact CE2-CE2 3.98Å; F229-F256 HydrophobicContact CE2-CZ 4.44Å; F229-F256 HydrophobicContact CG-CE2 4.17Å; V232-F256 HydrophobicContact CB-CB 4.05Å; V232-F256 HydrophobicContact CB-CD1 4.48Å; V232-F256 HydrophobicContact CB-CD2 3.58Å; V232-F256 HydrophobicContact CB-CE2 4.12Å; V232-F256 HydrophobicContact CB-CG 3.79Å; V232-F256 HydrophobicContact CG1-CB 4.08Å; V232-F256 HydrophobicContact CG1-CD1 3.73Å; V232-F256 HydrophobicContact CG1-CD2 3.63Å; V232-F256 HydrophobicContact CG1-CE1 3.97Å; V232-F256 HydrophobicContact CG1-CE2 3.93Å; V232-F256 HydrophobicContact CG1-CG 3.52Å; V232-F256 HydrophobicContact CG1-CZ 4.07Å; V232-F256 HydrophobicContact CG2-CB 3.77Å; V232-F256 HydrophobicContact CG2-CD2 4.23Å; V232-F256 HydrophobicContact CG2-CG 4.09Å; T233-F256 HydrophobicContact CG2-CE2 3.61Å; T233-F256 HydrophobicContact CG2-CZ 3.85Å; S252-F256 WeakPolarHBondContact O-CB 3.31Å; S252-F256 PolarHBondContact O-N 3.3Å; M253-F256 HydrophobicContact CE-CD1 3.86Å; M253-F256 HydrophobicContact CE-CE1 4.4Å; M253-F256 WeakPolarHBondContact O-CB 3.42Å; M253-F256 PolarHBondContact O-N 3.47Å; F256-N258 VanDerWaalsContact C-N 3.34Å; F256-N258 PolarHBondContact O-N 2.88Å; F256-I259 WeakPolarHBondContact O-CG2 3.39Å; F256-I259 PolarHBondContact O-N 2.71Å; F256-N260 VanDerWaalsContact CE2-ND2 3.3Å; F256-N260 WeakPolarHBondContact CE2-ND2 3.47Å; F256-N260 VanDerWaalsContact CZ-ND2 3.29Å; F256-N260 WeakPolarHBondContact CZ-ND2 3.49Å; F256-N260 PolarHBondContact O-N 3.31Å; F256-N260 VanDerWaalsContact O-N 3.1Å; F256-N260 PolarHBondContact O-ND2 3.41Å
257	V	95.3	Very high	93.5	Very high	35 Å²	35	64.4 Å²	64.4	21%	0.212	32%	0.323	C	S	.	.	H	α-helix	trans	-63.9	-42.2	176.6	173.1	0	0	0	0	110.7	F119 M253 N260 N261	F119-V257 HydrophobicContact CB-CG2 4.31Å; F119-V257 HydrophobicContact CD1-CG1 4.3Å; F119-V257 HydrophobicContact CD1-CG2 3.73Å; F119-V257 HydrophobicContact CD2-CG2 4.29Å; F119-V257 HydrophobicContact CE1-CG2 4.08Å; F119-V257 HydrophobicContact CG-CG2 3.84Å; F119-V257 HydrophobicContact CZ-CG2 4.49Å; M253-V257 WeakPolarHBondContact O-CG2 3.37Å; M253-V257 PolarHBondContact O-N 3.1Å; V257-N260 PolarHBondContact O-N 3.15Å; V257-N261 VanDerWaalsContact O-CG 3.26Å; V257-N261 PolarHBondContact O-N 3.03Å
258	N	94.5	Very high	93.6	Very high	93 Å²	93	60.6 Å²	60.6	50%	0.497	31%	0.305	S	S	.	.	H	α-helix	trans	-61.6	-46.9	177.9	-173.8	-9.9	0	0	0	112	K254 K255 F256 N260 N261 R262	K254-N258 WeakPolarHBondContact O-CB 3.31Å; K254-N258 PolarHBondContact O-N 2.98Å; K255-N258 PolarHBondContact O-N 3.32Å; F256-N258 VanDerWaalsContact C-N 3.34Å; F256-N258 PolarHBondContact O-N 2.88Å; N258-N260 PolarHBondContact O-N 3.19Å; N258-N261 PolarHBondContact O-N 3.02Å; N258-R262 WeakPolarHBondContact O-CG 3.41Å; N258-R262 PolarHBondContact O-N 3.05Å; N258-R262 WeakPolarHBondContact OD1-CD 3.35Å
259	I	93.9	Very high	93.7	Very high	12 Å²	12	59.5 Å²	59.5	6%	0.062	30%	0.296	C	S	.	.	H	α-helix	trans	-64.3	-39.7	179.2	-172.6	56.8	0	0	0	111.8	L222 L225 K255 F256 N261 R262 F263	L222-I259 HydrophobicContact CD2-CD1 4.13Å; L225-I259 HydrophobicContact CB-CD1 3.83Å; L225-I259 HydrophobicContact CB-CG1 4.3Å; L225-I259 HydrophobicContact CD1-CD1 4.42Å; K255-I259 WeakPolarHBondContact O-CG2 3.35Å; K255-I259 PolarHBondContact O-N 3.26Å; F256-I259 WeakPolarHBondContact O-CG2 3.39Å; F256-I259 PolarHBondContact O-N 2.71Å; I259-N261 PolarHBondContact O-N 3.36Å; I259-R262 PolarHBondContact O-N 2.89Å; I259-F263 VanDerWaalsContact O-CB 3.22Å; I259-F263 WeakPolarHBondContact O-CB 3.39Å; I259-F263 PolarHBondContact O-N 2.92Å
260	N	95	Very high	93.9	Very high	2 Å²	2	53.8 Å²	53.8	1%	0.011	26%	0.259	C	S	.	.	H	α-helix	trans	-62.2	-43.6	174.5	-80.1	-81.3	0	0	0	111.8	F119 I120 F256 V257 N258 R262 F263 N264	F119-N260 VanDerWaalsContact O-CB 3.32Å; F119-N260 WeakPolarHBondContact O-CB 3.44Å; I120-N260 WeakPolarHBondContact CA-OD1 3.25Å; F256-N260 VanDerWaalsContact CE2-ND2 3.3Å; F256-N260 WeakPolarHBondContact CE2-ND2 3.47Å; F256-N260 VanDerWaalsContact CZ-ND2 3.29Å; F256-N260 WeakPolarHBondContact CZ-ND2 3.49Å; F256-N260 PolarHBondContact O-N 3.31Å; F256-N260 VanDerWaalsContact O-N 3.1Å; F256-N260 PolarHBondContact O-ND2 3.41Å; V257-N260 PolarHBondContact O-N 3.15Å; N258-N260 PolarHBondContact O-N 3.19Å; N260-R262 PolarHBondContact O-N 3.35Å; N260-F263 PolarHBondContact O-N 3.04Å; N260-N264 WeakPolarHBondContact O-CB 3.34Å; N260-N264 PolarHBondContact O-N 2.89Å; N260-N264 PolarHBondContact O-ND2 3.32Å; N260-N264 PolarHBondContact O-OD1 2.85Å
261	N	94.2	Very high	93.8	Very high	75 Å²	75	51.4 Å²	51.4	40%	0.401	25%	0.246	S	C	.	.	H	α-helix	trans	-62.1	-44.6	176.6	-69.6	-13.3	0	0	0	112	V257 N258 I259 F263 N265	V257-N261 VanDerWaalsContact O-CG 3.26Å; V257-N261 PolarHBondContact O-N 3.03Å; N258-N261 PolarHBondContact O-N 3.02Å; I259-N261 PolarHBondContact O-N 3.36Å; N261-F263 VanDerWaalsContact C-N 3.35Å; N261-N265 WeakPolarHBondContact O-CB 3.27Å; N261-N265 PolarHBondContact O-N 2.78Å; N261-N265 PolarHBondContact O-ND2 3.29Å
262	R	93.2	Very high	93.8	Very high	90 Å²	90	47.2 Å²	47.2	34%	0.34	23%	0.234	S	C	.	.	H	α-helix	trans	-62.5	-43.3	176.7	-72.1	-179.2	67.3	-157.2	-4	111.6	G221 L222 N258 I259 N260 N265 F266	G221-R262 PolarHBondContact O-NH1 3.49Å; G221-R262 PolarHBondContact O-NH2 3.48Å; L222-R262 HydrophobicContact CD2-CB 3.8Å; N258-R262 WeakPolarHBondContact O-CG 3.41Å; N258-R262 PolarHBondContact O-N 3.05Å; N258-R262 WeakPolarHBondContact OD1-CD 3.35Å; I259-R262 PolarHBondContact O-N 2.89Å; N260-R262 PolarHBondContact O-N 3.35Å; R262-N265 PolarHBondContact O-N 3.01Å; R262-F266 WeakPolarHBondContact O-CB 3.21Å; R262-F266 PolarHBondContact O-N 2.87Å
263	F	93.2	Very high	93.9	Very high	20 Å²	20	47.9 Å²	47.9	9%	0.088	23%	0.232	C	C	.	.	H	α-helix	trans	-66.3	-44.1	179.5	-165.6	-107.7	0	0	0	111.9	I259 N260 N261 N265 F266 V267 N317 F320 F324	I259-F263 VanDerWaalsContact O-CB 3.22Å; I259-F263 WeakPolarHBondContact O-CB 3.39Å; I259-F263 PolarHBondContact O-N 2.92Å; N260-F263 PolarHBondContact O-N 3.04Å; N261-F263 VanDerWaalsContact C-N 3.35Å; F263-N265 PolarHBondContact O-N 3.37Å; F263-F266 PolarHBondContact O-N 3.29Å; F263-V267 HydrophobicContact CD1-CG2 4.41Å; F263-V267 HydrophobicContact CE1-CG2 4.19Å; F263-V267 HydrophobicContact CZ-CG2 4.36Å; F263-V267 WeakPolarHBondContact O-CG2 3.45Å; F263-V267 PolarHBondContact O-N 3.31Å; F263-N317 WeakPolarHBondContact CD1-ND2 3.24Å; F263-N317 WeakPolarHBondContact CD1-OD1 3.44Å; F263-N317 HydrophobicContact CE1-CB 4.41Å; F263-N317 WeakPolarHBondContact CE1-O 3.43Å; F263-N317 WeakPolarHBondContact CE1-OD1 3.04Å; F263-F320 AromaticContact CE2-CD1 3.42Å; F263-F320 HydrophobicContact CE2-CD1 3.42Å; F263-F320 VanDerWaalsContact CE2-CD1 3.42Å; F263-F320 AromaticContact CE2-CE1 3.63Å; F263-F320 HydrophobicContact CE2-CE1 3.63Å; F263-F320 HydrophobicContact CZ-CB 4.28Å; F263-F320 AromaticContact CZ-CD1 3.36Å; F263-F320 HydrophobicContact CZ-CD1 3.36Å; F263-F320 HydrophobicContact CZ-CE1 4.07Å; F263-F320 HydrophobicContact CZ-CG 4.19Å; F263-F324 AromaticContact CE2-CE1 3.73Å; F263-F324 HydrophobicContact CE2-CE1 3.73Å; F263-F324 HydrophobicContact CE2-CZ 4.43Å; F263-F324 HydrophobicContact CZ-CE1 4.04Å
264	N	92.4	Very high	93.9	Very high	13 Å²	13	47.5 Å²	47.5	7%	0.07	23%	0.23	C	C	.	.	H	α-helix	trans	-60.3	-45.7	174.8	-67.9	-9.2	0	0	0	111.3	N260 F266 V267 Q268 N317	N260-N264 WeakPolarHBondContact O-CB 3.34Å; N260-N264 PolarHBondContact O-N 2.89Å; N260-N264 PolarHBondContact O-ND2 3.32Å; N260-N264 PolarHBondContact O-OD1 2.85Å; N264-F266 VanDerWaalsContact C-N 3.34Å; N264-F266 PolarHBondContact O-N 2.85Å; N264-V267 PolarHBondContact O-N 3.14Å; N264-Q268 WeakPolarHBondContact O-CB 3.33Å; N264-Q268 PolarHBondContact O-N 2.83Å; N264-N317 PolarHBondContact OD1-ND2 2.86Å
265	N	92.9	Very high	93.8	Very high	114 Å²	114	43.7 Å²	43.7	61%	0.61	21%	0.212	S	C	*	.	H	α-helix	trans	-61.7	-41.7	177.8	-71.7	-17.5	0	0	0	112.2	N261 R262 F263 K269	N261-N265 WeakPolarHBondContact O-CB 3.27Å; N261-N265 PolarHBondContact O-N 2.78Å; N261-N265 PolarHBondContact O-ND2 3.29Å; R262-N265 PolarHBondContact O-N 3.01Å; F263-N265 PolarHBondContact O-N 3.37Å; N265-K269 WeakPolarHBondContact O-CB 3.48Å; N265-K269 PolarHBondContact O-N 2.84Å
266	F	93.2	Very high	93.8	Very high	5 Å²	5	43.7 Å²	43.7	2%	0.022	23%	0.228	C	C	.	.	H	α-helix	trans	-61.9	-51.3	177.3	176.1	-99.9	0	0	0	111.7	Y212 E218 L222 R262 F263 N264 Q268 K269 L270 F320	Y212-F266 HydrophobicContact CE2-CZ 4.04Å; Y212-F266 AromaticContact CZ-CZ 3.85Å; Y212-F266 WeakPolarHBondContact OH-CE2 3.35Å; Y212-F266 WeakPolarHBondContact OH-CZ 3.4Å; E218-F266 HydrophobicContact CG-CD2 3.88Å; E218-F266 HydrophobicContact CG-CE2 3.98Å; L222-F266 HydrophobicContact CD1-CB 3.69Å; L222-F266 HydrophobicContact CD1-CD1 3.8Å; L222-F266 HydrophobicContact CD1-CD2 3.57Å; L222-F266 HydrophobicContact CD1-CE1 4.3Å; L222-F266 HydrophobicContact CD1-CE2 4.09Å; L222-F266 HydrophobicContact CD1-CG 3.39Å; L222-F266 HydrophobicContact CD1-CZ 4.42Å; R262-F266 WeakPolarHBondContact O-CB 3.21Å; R262-F266 PolarHBondContact O-N 2.87Å; F263-F266 PolarHBondContact O-N 3.29Å; N264-F266 VanDerWaalsContact C-N 3.34Å; N264-F266 PolarHBondContact O-N 2.85Å; F266-Q268 PolarHBondContact O-N 3.08Å; F266-K269 PolarHBondContact O-N 2.9Å; F266-L270 HydrophobicContact CD1-CD1 4.11Å; F266-L270 HydrophobicContact CE1-CD1 3.53Å; F266-L270 HydrophobicContact CE2-CD1 4.36Å; F266-L270 HydrophobicContact CZ-CD1 3.69Å; F266-L270 PolarHBondContact O-N 3.03Å; F266-L270 VanDerWaalsContact O-N 3.16Å; F266-F320 HydrophobicContact CD1-CE1 4.18Å; F266-F320 HydrophobicContact CE1-CD1 4.42Å; F266-F320 AromaticContact CE1-CE1 3.68Å; F266-F320 HydrophobicContact CE1-CE1 3.68Å; F266-F320 HydrophobicContact CE1-CZ 4.18Å
267	V	93.1	Very high	93.8	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-65.4	-41.5	179.5	176	0	0	0	0	111.1	F208 F263 N264 K269 L270 V271 V313 V316 N317 F320	F208-V267 HydrophobicContact CE1-CG1 4.47Å; F208-V267 HydrophobicContact CZ-CG1 4.24Å; F208-V267 HydrophobicContact CZ-CG2 4.46Å; F263-V267 HydrophobicContact CD1-CG2 4.41Å; F263-V267 HydrophobicContact CE1-CG2 4.19Å; F263-V267 HydrophobicContact CZ-CG2 4.36Å; F263-V267 WeakPolarHBondContact O-CG2 3.45Å; F263-V267 PolarHBondContact O-N 3.31Å; N264-V267 PolarHBondContact O-N 3.14Å; V267-K269 VanDerWaalsContact C-N 3.35Å; V267-K269 PolarHBondContact O-N 3.49Å; V267-L270 PolarHBondContact O-N 2.93Å; V267-V271 HydrophobicContact CG1-CG2 4.25Å; V267-V271 WeakPolarHBondContact O-CG2 3.43Å; V267-V271 PolarHBondContact O-N 2.94Å; V267-V313 HydrophobicContact CG1-CG1 4.18Å; V267-V316 HydrophobicContact CG1-CG2 3.61Å; V267-N317 HydrophobicContact CG1-CB 4.17Å; V267-N317 HydrophobicContact CG2-CB 4.42Å; V267-F320 HydrophobicContact CG2-CD1 4.46Å
268	Q	92.4	Very high	93.7	Very high	81 Å²	81	48 Å²	48	38%	0.379	25%	0.251	S	S	.	.	H	α-helix	trans	-60.6	-44	178	-177.2	61.2	65.5	0	0	111.7	N264 F266 L270 V271 T272	N264-Q268 WeakPolarHBondContact O-CB 3.33Å; N264-Q268 PolarHBondContact O-N 2.83Å; F266-Q268 PolarHBondContact O-N 3.08Å; Q268-L270 PolarHBondContact O-N 3.21Å; Q268-V271 PolarHBondContact O-N 3.25Å; Q268-T272 PolarHBondContact NE2-OG1 3.5Å; Q268-T272 WeakPolarHBondContact O-CB 3.48Å; Q268-T272 PolarHBondContact O-N 3.24Å; Q268-T272 PolarHBondContact O-OG1 3.03Å; Q268-T272 VanDerWaalsContact O-OG1 3.06Å
269	K	93.8	Very high	93.6	Very high	86 Å²	86	47.2 Å²	47.2	37%	0.374	25%	0.247	S	C	.	.	H	α-helix	trans	-55.9	-50.5	174.2	171.2	-172.9	167.9	-164.9	0	110.8	E218 N265 F266 V267 V271 T272 E273	E218-K269 IonicContact OE1-NZ 2.67Å; E218-K269 PolarHBondContact OE1-NZ 2.84Å; E218-K269 VanDerWaalsContact OE1-NZ 3.14Å; E218-K269 IonicContact OE2-NZ 3.14Å; E218-K269 PolarHBondContact OE2-NZ 3.39Å; E218-K269 VanDerWaalsContact OE2-NZ 3.13Å; N265-K269 WeakPolarHBondContact O-CB 3.48Å; N265-K269 PolarHBondContact O-N 2.84Å; F266-K269 PolarHBondContact O-N 2.9Å; V267-K269 VanDerWaalsContact C-N 3.35Å; V267-K269 PolarHBondContact O-N 3.49Å; K269-V271 PolarHBondContact O-N 3.34Å; K269-T272 PolarHBondContact O-N 3.44Å; K269-E273 WeakPolarHBondContact CE-OE1 3.21Å; K269-E273 WeakPolarHBondContact CG-OE1 3.41Å; K269-E273 WeakPolarHBondContact O-CG 3.4Å; K269-E273 PolarHBondContact O-N 2.97Å
270	L	94	Very high	93.5	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-61	-46.9	179.3	-67.9	176.9	0	0	0	111.9	F208 F266 V267 Q268 T272 E273 H274	F208-L270 HydrophobicContact CB-CD1 4.31Å; F208-L270 HydrophobicContact CD1-CB 3.92Å; F208-L270 HydrophobicContact CD1-CD1 4.04Å; F208-L270 HydrophobicContact CD2-CD1 3.63Å; F208-L270 HydrophobicContact CE1-CB 4.16Å; F208-L270 HydrophobicContact CE1-CD1 4.25Å; F208-L270 HydrophobicContact CE2-CD1 3.85Å; F208-L270 HydrophobicContact CG-CB 4.34Å; F208-L270 HydrophobicContact CG-CD1 3.73Å; F208-L270 HydrophobicContact CZ-CD1 4.17Å; F266-L270 HydrophobicContact CD1-CD1 4.11Å; F266-L270 HydrophobicContact CE1-CD1 3.53Å; F266-L270 HydrophobicContact CE2-CD1 4.36Å; F266-L270 HydrophobicContact CZ-CD1 3.69Å; F266-L270 PolarHBondContact O-N 3.03Å; F266-L270 VanDerWaalsContact O-N 3.16Å; V267-L270 PolarHBondContact O-N 2.93Å; Q268-L270 PolarHBondContact O-N 3.21Å; L270-T272 VanDerWaalsContact C-N 3.33Å; L270-T272 PolarHBondContact O-N 2.87Å; L270-E273 PolarHBondContact O-N 3.36Å; L270-H274 PolarHBondContact O-N 2.67Å; L270-H274 PolarHBondContact O-ND1 3.38Å
271	V	92.8	Very high	93.4	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-61.8	-41.4	178.4	172.7	0	0	0	0	111.5	V267 Q268 K269 E273 H274 Y275 T287 V313 V316	V267-V271 HydrophobicContact CG1-CG2 4.25Å; V267-V271 WeakPolarHBondContact O-CG2 3.43Å; V267-V271 PolarHBondContact O-N 2.94Å; Q268-V271 PolarHBondContact O-N 3.25Å; K269-V271 PolarHBondContact O-N 3.34Å; V271-E273 VanDerWaalsContact C-N 3.32Å; V271-E273 PolarHBondContact O-N 3.3Å; V271-H274 WeakPolarHBondContact O-CB 3.35Å; V271-H274 PolarHBondContact O-N 3.09Å; V271-H274 VanDerWaalsContact O-N 3.14Å; V271-Y275 HydrophobicContact CG1-CD2 3.78Å; V271-Y275 HydrophobicContact CG1-CE2 3.59Å; V271-Y275 WeakPolarHBondContact O-CD2 3.49Å; V271-Y275 PolarHBondContact O-N 3.35Å; V271-T287 HydrophobicContact CG1-CG2 4.47Å; V271-T287 HydrophobicContact CG2-CG2 4.09Å; V271-V313 HydrophobicContact CB-CG2 4.1Å; V271-V313 HydrophobicContact CG1-CG2 3.83Å; V271-V313 HydrophobicContact CG2-CG2 4.15Å; V271-V316 HydrophobicContact CG2-CG2 3.7Å
272	T	92.8	Very high	93.3	Very high	77 Å²	77	59.4 Å²	59.4	47%	0.472	31%	0.308	S	S	.	.	H	α-helix	trans	-61.3	-40	176	-66.3	0	0	0	0	112.1	Q268 K269 L270 H274 Y275 A276	Q268-T272 PolarHBondContact NE2-OG1 3.5Å; Q268-T272 WeakPolarHBondContact O-CB 3.48Å; Q268-T272 PolarHBondContact O-N 3.24Å; Q268-T272 PolarHBondContact O-OG1 3.03Å; Q268-T272 VanDerWaalsContact O-OG1 3.06Å; K269-T272 PolarHBondContact O-N 3.44Å; L270-T272 VanDerWaalsContact C-N 3.33Å; L270-T272 PolarHBondContact O-N 2.87Å; T272-H274 VanDerWaalsContact C-N 3.31Å; T272-H274 PolarHBondContact O-N 2.59Å; T272-Y275 PolarHBondContact O-N 3.37Å; T272-A276 PolarHBondContact O-N 2.81Å; T272-A276 VanDerWaalsContact O-N 3.13Å
273	E	94.9	Very high	93.3	Very high	60 Å²	60	57.7 Å²	57.7	28%	0.28	31%	0.305	S	S	.	.	H	α-helix	trans	-65.9	-32.8	175.2	-68.6	168.4	-169.6	0	0	112.3	R210 K269 L270 V271 A276 T277	R210-E273 IonicContact CZ-OE2 3.65Å; R210-E273 IonicContact NH1-OE2 3.79Å; R210-E273 PolarHBondContact NH1-OE2 3.03Å; R210-E273 IonicContact NH2-OE2 2.66Å; R210-E273 PolarHBondContact NH2-OE2 3.23Å; K269-E273 WeakPolarHBondContact CE-OE1 3.21Å; K269-E273 WeakPolarHBondContact CG-OE1 3.41Å; K269-E273 WeakPolarHBondContact O-CG 3.4Å; K269-E273 PolarHBondContact O-N 2.97Å; L270-E273 PolarHBondContact O-N 3.36Å; V271-E273 VanDerWaalsContact C-N 3.32Å; V271-E273 PolarHBondContact O-N 3.3Å; E273-A276 PolarHBondContact O-N 2.81Å; E273-T277 PolarHBondContact O-N 2.95Å; E273-T277 PolarHBondContact O-OG1 3.43Å
274	H	94.9	Very high	93.3	Very high	5 Å²	5	61.3 Å²	61.3	2%	0.023	32%	0.318	C	S	.	.	H	α-helix	trans	-67.7	-47.4	174	-74	65.7	0	0	0	111.5	F208 L270 V271 T272 A276 T277 F278 R284 D285 T287 D288 I291	F208-H274 WeakPolarHBondContact CA-NE2 3.42Å; F208-H274 PolarHBondContact O-CE1 3.19Å; F208-H274 PolarHBondContact O-NE2 3.5Å; L270-H274 PolarHBondContact O-N 2.67Å; L270-H274 PolarHBondContact O-ND1 3.38Å; V271-H274 WeakPolarHBondContact O-CB 3.35Å; V271-H274 PolarHBondContact O-N 3.09Å; V271-H274 VanDerWaalsContact O-N 3.14Å; T272-H274 VanDerWaalsContact C-N 3.31Å; T272-H274 PolarHBondContact O-N 2.59Å; H274-A276 VanDerWaalsContact C-N 3.25Å; H274-A276 PolarHBondContact O-N 3.24Å; H274-T277 CarbonylContact O-C 3.58Å; H274-T277 PolarHBondContact O-N 2.87Å; H274-T277 PolarHBondContact O-OG1 3.33Å; H274-F278 WeakPolarHBondContact O-CA 3.47Å; H274-F278 WeakPolarHBondContact O-CB 3.49Å; H274-F278 PolarHBondContact O-N 2.66Å; H274-R284 PolarHBondContact O-NH2 3.42Å; H274-D285 IonicContact CD2-OD1 3.52Å; H274-D285 PolarHBondContact CD2-OD1 3.38Å; H274-D285 IonicContact CD2-OD2 3.93Å; H274-D285 PolarHBondContact CD2-OD2 3.01Å; H274-D285 IonicContact NE2-OD1 2.77Å; H274-D285 IonicContact NE2-OD2 2.75Å; H274-D285 PolarHBondContact NE2-OD2 3.32Å; H274-T287 HydrophobicContact CB-CG2 3.7Å; H274-D288 IonicContact CD2-OD1 3.71Å; H274-I291 HydrophobicContact CB-CD1 3.89Å
275	Y	92.1	Very high	93.4	Very high	65 Å²	65	60.8 Å²	60.8	26%	0.255	32%	0.315	S	S	.	.	H	α-helix	trans	-56.1	-39.3	174.7	-85.8	-73.4	0	0	0	112.6	V271 T272 T277 I291 D309	V271-Y275 HydrophobicContact CG1-CD2 3.78Å; V271-Y275 HydrophobicContact CG1-CE2 3.59Å; V271-Y275 WeakPolarHBondContact O-CD2 3.49Å; V271-Y275 PolarHBondContact O-N 3.35Å; T272-Y275 PolarHBondContact O-N 3.37Å; Y275-T277 PolarHBondContact O-N 2.84Å; Y275-I291 HydrophobicContact CD1-CD1 4.05Å; Y275-I291 HydrophobicContact CD1-CG1 4.26Å; Y275-I291 HydrophobicContact CD1-CG2 3.93Å; Y275-I291 HydrophobicContact CD2-CD1 3.96Å; Y275-I291 HydrophobicContact CD2-CG1 4.41Å; Y275-I291 HydrophobicContact CE1-CB 4.28Å; Y275-I291 HydrophobicContact CE1-CD1 4.14Å; Y275-I291 HydrophobicContact CE1-CG1 3.84Å; Y275-I291 HydrophobicContact CE1-CG2 3.6Å; Y275-I291 HydrophobicContact CE2-CD1 4.04Å; Y275-I291 HydrophobicContact CE2-CG1 3.98Å; Y275-I291 HydrophobicContact CG-CD1 3.96Å; Y275-D309 HydrophobicContact CE2-CB 4.43Å; Y275-D309 PolarHBondContact OH-OD1 3.09Å
276	A	94.9	Very high	93.5	Very high	84 Å²	84	55.4 Å²	55.4	69%	0.694	29%	0.286	S	S	*	.	H	α-helix	trans	-67.3	-19.8	-179.9	0	0	0	0	0	113.9	T272 E273 H274	T272-A276 PolarHBondContact O-N 2.81Å; T272-A276 VanDerWaalsContact O-N 3.13Å; E273-A276 PolarHBondContact O-N 2.81Å; H274-A276 VanDerWaalsContact C-N 3.25Å; H274-A276 PolarHBondContact O-N 3.24Å
277	T	95.5	Very high	93.6	Very high	85 Å²	85	55.1 Å²	55.1	52%	0.521	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.1	18.8	-175.3	54.7	0	0	0	0	112.1	E273 H274 Y275 R284	E273-T277 PolarHBondContact O-N 2.95Å; E273-T277 PolarHBondContact O-OG1 3.43Å; H274-T277 CarbonylContact O-C 3.58Å; H274-T277 PolarHBondContact O-N 2.87Å; H274-T277 PolarHBondContact O-OG1 3.33Å; Y275-T277 PolarHBondContact O-N 2.84Å; T277-R284 PolarHBondContact OG1-NH1 3.3Å; T277-R284 PolarHBondContact OG1-NH2 3.13Å
278	F	94.5	Very high	93.7	Very high	40 Å²	40	55.1 Å²	55.1	18%	0.175	29%	0.285	C	S	.	.			trans	-70.3	132.4	-176.9	177.1	-107.2	0	0	0	110.2	H274 K280 I283 D288 I291 D292 E295	H274-F278 WeakPolarHBondContact O-CA 3.47Å; H274-F278 WeakPolarHBondContact O-CB 3.49Å; H274-F278 PolarHBondContact O-N 2.66Å; F278-K280 HydrophobicContact CE1-CB 4.3Å; F278-K280 HydrophobicContact CZ-CB 4.47Å; F278-I283 HydrophobicContact CE2-CD1 3.86Å; F278-I283 HydrophobicContact CZ-CD1 4.16Å; F278-D288 HydrophobicContact CD2-CB 4.2Å; F278-D288 HydrophobicContact CE2-CB 4.17Å; F278-D288 WeakPolarHBondContact CE2-O 3.28Å; F278-I291 HydrophobicContact CD1-CG2 3.94Å; F278-I291 HydrophobicContact CD2-CB 4.06Å; F278-I291 HydrophobicContact CD2-CG2 3.64Å; F278-I291 HydrophobicContact CE1-CG2 4.05Å; F278-I291 HydrophobicContact CE2-CB 4.03Å; F278-I291 HydrophobicContact CE2-CG2 3.75Å; F278-I291 HydrophobicContact CG-CG2 3.75Å; F278-I291 HydrophobicContact CZ-CG2 3.97Å; F278-D292 HydrophobicContact CE2-CB 4.13Å; F278-D292 HydrophobicContact CZ-CB 3.77Å; F278-E295 WeakPolarHBondContact CE1-OE2 3.48Å
279	D	93.1	Very high	93.7	Very high	77 Å²	77	53 Å²	53	41%	0.412	28%	0.279	S	S	.	.			trans	-132.2	116.1	177.2	-179.8	2.6	0	0	0	108.5	D281 N282	D279-D281 PolarHBondContact O-N 3.1Å; D279-D281 PolarHBondContact OD1-N 2.85Å; D279-N282 HydrophobicContact CB-CB 4.25Å; D279-N282 CarbonylContact O-C 3.07Å; D279-N282 VanDerWaalsContact O-C 3.28Å; D279-N282 PolarHBondContact O-N 3.16Å
280	K	91.2	Very high	93.6	Very high	97 Å²	97	49 Å²	49	42%	0.422	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-27.6	-177.2	-172.8	165	-169.9	161.6	0	112.5	F278 N282 D292 D296	F278-K280 HydrophobicContact CE1-CB 4.3Å; F278-K280 HydrophobicContact CZ-CB 4.47Å; K280-N282 VanDerWaalsContact C-N 3.29Å; K280-D292 WeakPolarHBondContact CE-OD1 3.46Å; K280-D296 IonicContact NZ-OD1 3.9Å; K280-D296 PolarHBondContact NZ-OD1 3.2Å
281	D	92.8	Very high	93.4	Very high	157 Å²	157	49 Å²	49	84%	0.84	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-6	178.8	-64.6	-39.6	0	0	0	112.4	D279	D279-D281 PolarHBondContact O-N 3.1Å; D279-D281 PolarHBondContact OD1-N 2.85Å
282	N	92.5	Very high	93.3	Very high	92 Å²	92	50.7 Å²	50.7	49%	0.492	27%	0.271	S	S	.	.			trans	-144.4	80.4	-176.3	-179.2	35.6	0	0	0	112.6	D279 K280 R284	D279-N282 HydrophobicContact CB-CB 4.25Å; D279-N282 CarbonylContact O-C 3.07Å; D279-N282 VanDerWaalsContact O-C 3.28Å; D279-N282 PolarHBondContact O-N 3.16Å; K280-N282 VanDerWaalsContact C-N 3.29Å; N282-R284 PolarHBondContact O-N 3.45Å
283	I	93.4	Very high	92.9	Very high	54 Å²	54	49.8 Å²	49.8	28%	0.277	26%	0.261	S	S	.	.			trans	-75.7	111	176.4	-50.8	-55.2	0	0	0	110.3	F150 F278 D288 D292	F150-I283 HydrophobicContact CZ-CG2 3.88Å; F278-I283 HydrophobicContact CE2-CD1 3.86Å; F278-I283 HydrophobicContact CZ-CD1 4.16Å; I283-D288 HydrophobicContact CB-CB 4.46Å; I283-D288 HydrophobicContact CG2-CB 3.69Å; I283-D292 HydrophobicContact CD1-CB 3.9Å
284	R	92.9	Very high	92.1	Very high	96 Å²	96	47.1 Å²	47.1	36%	0.362	25%	0.249	S	C	.	.			trans	-82.3	-38.3	-171.5	-59	168.5	-67	-167.1	-5.9	113.9	H274 T277 N282 D288	H274-R284 PolarHBondContact O-NH2 3.42Å; T277-R284 PolarHBondContact OG1-NH1 3.3Å; T277-R284 PolarHBondContact OG1-NH2 3.13Å; N282-R284 PolarHBondContact O-N 3.45Å; R284-D288 VanDerWaalsContact CB-OD2 3.24Å; R284-D288 WeakPolarHBondContact CB-OD2 3.48Å; R284-D288 VanDerWaalsContact CG-OD2 3.31Å; R284-D288 WeakPolarHBondContact CG-OD2 3.06Å; R284-D288 IonicContact CZ-OD1 2.72Å; R284-D288 IonicContact CZ-OD2 2.8Å; R284-D288 PolarHBondContact N-OD2 2.95Å; R284-D288 IonicContact NE-OD1 3.09Å; R284-D288 IonicContact NE-OD2 3.81Å; R284-D288 PolarHBondContact NE-OD2 3.35Å; R284-D288 IonicContact NH2-OD1 2.73Å; R284-D288 PolarHBondContact NH2-OD1 3.17Å; R284-D288 IonicContact NH2-OD2 3.54Å; R284-D288 PolarHBondContact NH2-OD2 3.33Å
285	D	94.8	Very high	91.2	Very high	2 Å²	2	50.5 Å²	50.5	1%	0.011	27%	0.265	C	S	.	.	S	Bend	trans	-157.5	-176.6	-169.6	53.1	52.4	0	0	0	112.2	F150 M206 G209 H274 T287 D288 S289	F150-D285 VanDerWaalsContact CE1-C 3.5Å; F150-D285 VanDerWaalsContact CE2-C 3.49Å; F150-D285 WeakPolarHBondContact CE2-O 3.4Å; F150-D285 WeakPolarHBondContact CZ-O 3.41Å; M206-D285 WeakPolarHBondContact O-CB 3.49Å; G209-D285 PolarHBondContact N-OD2 3.11Å; G209-D285 VanDerWaalsContact N-OD2 3.13Å; H274-D285 IonicContact CD2-OD1 3.52Å; H274-D285 PolarHBondContact CD2-OD1 3.38Å; H274-D285 IonicContact CD2-OD2 3.93Å; H274-D285 PolarHBondContact CD2-OD2 3.01Å; H274-D285 IonicContact NE2-OD1 2.77Å; H274-D285 IonicContact NE2-OD2 2.75Å; H274-D285 PolarHBondContact NE2-OD2 3.32Å; D285-T287 PolarHBondContact O-N 3.48Å; D285-T287 WeakPolarHBondContact OD1-CA 3.5Å; D285-T287 VanDerWaalsContact OD1-CB 3.3Å; D285-T287 WeakPolarHBondContact OD1-CB 3.32Å; D285-T287 PolarHBondContact OD1-N 2.9Å; D285-D288 PolarHBondContact O-N 3.43Å; D285-D288 PolarHBondContact OD1-N 3.23Å; D285-D288 VanDerWaalsContact OD1-N 3.1Å; D285-S289 PolarHBondContact O-N 3.11Å; D285-S289 VanDerWaalsContact O-N 3.07Å
286	I	95.1	Very high	90.2	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-58.3	-34.9	179	-68.4	167.6	0	0	0	111.7	A146 L147 F150 M206 S289 L290 V316 L319	A146-I286 HydrophobicContact CB-CG1 4.33Å; A146-I286 HydrophobicContact CB-CG2 3.89Å; L147-I286 HydrophobicContact CD2-CD1 3.81Å; L147-I286 HydrophobicContact CG-CD1 4.49Å; F150-I286 HydrophobicContact CB-CD1 4.44Å; F150-I286 HydrophobicContact CB-CG1 4Å; F150-I286 HydrophobicContact CD2-CB 4.38Å; F150-I286 HydrophobicContact CD2-CG1 3.54Å; F150-I286 HydrophobicContact CE2-CG1 4.32Å; F150-I286 HydrophobicContact CG-CG1 3.87Å; M206-I286 HydrophobicContact CB-CD1 4.26Å; M206-I286 WeakPolarHBondContact O-CG1 3.47Å; M206-I286 PolarHBondContact O-N 3.09Å; M206-I286 VanDerWaalsContact O-N 3.15Å; I286-S289 PolarHBondContact O-N 3.24Å; I286-L290 HydrophobicContact CG2-CD1 3.9Å; I286-L290 HydrophobicContact CG2-CG 4.36Å; I286-L290 VanDerWaalsContact O-CG 3.27Å; I286-L290 WeakPolarHBondContact O-CG 3.45Å; I286-L290 PolarHBondContact O-N 3.32Å; I286-L290 VanDerWaalsContact O-N 3.07Å; I286-V316 HydrophobicContact CG2-CG1 4.28Å; I286-L319 HydrophobicContact CD1-CD1 4.47Å; I286-L319 HydrophobicContact CG2-CD1 3.9Å
287	T	95	Very high	88.8	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-65	-49.5	-179.9	-63.9	0	0	0	0	110.1	C207 F208 V271 H274 D285 S289 L290 I291	C207-T287 WeakPolarHBondContact O-CB 3.26Å; C207-T287 PolarHBondContact O-N 2.84Å; C207-T287 PolarHBondContact O-OG1 2.97Å; F208-T287 WeakPolarHBondContact CD1-OG1 3.3Å; V271-T287 HydrophobicContact CG1-CG2 4.47Å; V271-T287 HydrophobicContact CG2-CG2 4.09Å; H274-T287 HydrophobicContact CB-CG2 3.7Å; D285-T287 PolarHBondContact O-N 3.48Å; D285-T287 WeakPolarHBondContact OD1-CA 3.5Å; D285-T287 VanDerWaalsContact OD1-CB 3.3Å; D285-T287 WeakPolarHBondContact OD1-CB 3.32Å; D285-T287 PolarHBondContact OD1-N 2.9Å; T287-S289 VanDerWaalsContact C-N 3.3Å; T287-S289 PolarHBondContact O-N 2.95Å; T287-L290 PolarHBondContact O-N 3.06Å; T287-L290 VanDerWaalsContact O-N 3.14Å; T287-I291 HydrophobicContact CG2-CD1 3.96Å; T287-I291 HydrophobicContact CG2-CG1 4.48Å; T287-I291 WeakPolarHBondContact O-CG1 3.38Å; T287-I291 PolarHBondContact O-N 3.37Å
288	D	94.3	Very high	87	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-59.8	-40.2	176.5	-75.7	-8.9	0	0	0	112.2	H274 F278 I283 R284 D285 L290 I291 D292	H274-D288 IonicContact CD2-OD1 3.71Å; F278-D288 HydrophobicContact CD2-CB 4.2Å; F278-D288 HydrophobicContact CE2-CB 4.17Å; F278-D288 WeakPolarHBondContact CE2-O 3.28Å; I283-D288 HydrophobicContact CB-CB 4.46Å; I283-D288 HydrophobicContact CG2-CB 3.69Å; R284-D288 VanDerWaalsContact CB-OD2 3.24Å; R284-D288 WeakPolarHBondContact CB-OD2 3.48Å; R284-D288 VanDerWaalsContact CG-OD2 3.31Å; R284-D288 WeakPolarHBondContact CG-OD2 3.06Å; R284-D288 IonicContact CZ-OD1 2.72Å; R284-D288 IonicContact CZ-OD2 2.8Å; R284-D288 PolarHBondContact N-OD2 2.95Å; R284-D288 IonicContact NE-OD1 3.09Å; R284-D288 IonicContact NE-OD2 3.81Å; R284-D288 PolarHBondContact NE-OD2 3.35Å; R284-D288 IonicContact NH2-OD1 2.73Å; R284-D288 PolarHBondContact NH2-OD1 3.17Å; R284-D288 IonicContact NH2-OD2 3.54Å; R284-D288 PolarHBondContact NH2-OD2 3.33Å; D285-D288 PolarHBondContact O-N 3.43Å; D285-D288 PolarHBondContact OD1-N 3.23Å; D285-D288 VanDerWaalsContact OD1-N 3.1Å; D288-L290 VanDerWaalsContact C-N 3.26Å; D288-L290 PolarHBondContact O-N 2.95Å; D288-I291 WeakPolarHBondContact O-CB 3.48Å; D288-I291 PolarHBondContact O-N 2.79Å; D288-I291 VanDerWaalsContact O-N 3.14Å; D288-D292 WeakPolarHBondContact O-CB 3.01Å; D288-D292 PolarHBondContact O-N 3.13Å
289	S	92.7	Very high	85.2	Confident	35 Å²	35	56.4 Å²	56.4	25%	0.245	28%	0.277	C	S	.	.	H	α-helix	trans	-63.6	-33.5	178.4	176	0	0	0	0	112.7	D285 I286 T287 H293	D285-S289 PolarHBondContact O-N 3.11Å; D285-S289 VanDerWaalsContact O-N 3.07Å; I286-S289 PolarHBondContact O-N 3.24Å; T287-S289 VanDerWaalsContact C-N 3.3Å; T287-S289 PolarHBondContact O-N 2.95Å; S289-H293 WeakPolarHBondContact O-CB 3.41Å; S289-H293 PolarHBondContact O-N 3.26Å
290	L	91.5	Very high	83.3	Confident	3 Å²	3	57.9 Å²	57.9	2%	0.016	28%	0.284	C	S	.	.	H	α-helix	trans	-76.1	-33.1	175	-67.2	170.4	0	0	0	112	L142 I286 T287 D288 C294 V312 I315 V316	L142-L290 HydrophobicContact CB-CD2 4.17Å; I286-L290 HydrophobicContact CG2-CD1 3.9Å; I286-L290 HydrophobicContact CG2-CG 4.36Å; I286-L290 VanDerWaalsContact O-CG 3.27Å; I286-L290 WeakPolarHBondContact O-CG 3.45Å; I286-L290 PolarHBondContact O-N 3.32Å; I286-L290 VanDerWaalsContact O-N 3.07Å; T287-L290 PolarHBondContact O-N 3.06Å; T287-L290 VanDerWaalsContact O-N 3.14Å; D288-L290 VanDerWaalsContact C-N 3.26Å; D288-L290 PolarHBondContact O-N 2.95Å; L290-C294 PolarHBondContact O-N 2.89Å; L290-C294 VanDerWaalsContact O-N 3.12Å; L290-C294 PolarHBondContact O-SG 2.96Å; L290-V312 HydrophobicContact CB-CB 4.5Å; L290-V312 HydrophobicContact CB-CG1 3.72Å; L290-V312 HydrophobicContact CB-CG2 4.22Å; L290-V312 HydrophobicContact CD1-CG1 4.29Å; L290-I315 HydrophobicContact CD1-CB 4.05Å; L290-I315 HydrophobicContact CD1-CG2 3.66Å; L290-I315 HydrophobicContact CD2-CD1 4.23Å; L290-I315 HydrophobicContact CD2-CG2 4.45Å; L290-V316 HydrophobicContact CD1-CG1 3.59Å
291	I	90.4	Very high	81.4	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-63.6	-51.3	172.5	-68.3	171.7	0	0	0	109.9	H274 Y275 F278 T287 D288 H293 C294 E295	H274-I291 HydrophobicContact CB-CD1 3.89Å; Y275-I291 HydrophobicContact CD1-CD1 4.05Å; Y275-I291 HydrophobicContact CD1-CG1 4.26Å; Y275-I291 HydrophobicContact CD1-CG2 3.93Å; Y275-I291 HydrophobicContact CD2-CD1 3.96Å; Y275-I291 HydrophobicContact CD2-CG1 4.41Å; Y275-I291 HydrophobicContact CE1-CB 4.28Å; Y275-I291 HydrophobicContact CE1-CD1 4.14Å; Y275-I291 HydrophobicContact CE1-CG1 3.84Å; Y275-I291 HydrophobicContact CE1-CG2 3.6Å; Y275-I291 HydrophobicContact CE2-CD1 4.04Å; Y275-I291 HydrophobicContact CE2-CG1 3.98Å; Y275-I291 HydrophobicContact CG-CD1 3.96Å; F278-I291 HydrophobicContact CD1-CG2 3.94Å; F278-I291 HydrophobicContact CD2-CB 4.06Å; F278-I291 HydrophobicContact CD2-CG2 3.64Å; F278-I291 HydrophobicContact CE1-CG2 4.05Å; F278-I291 HydrophobicContact CE2-CB 4.03Å; F278-I291 HydrophobicContact CE2-CG2 3.75Å; F278-I291 HydrophobicContact CG-CG2 3.75Å; F278-I291 HydrophobicContact CZ-CG2 3.97Å; T287-I291 HydrophobicContact CG2-CD1 3.96Å; T287-I291 HydrophobicContact CG2-CG1 4.48Å; T287-I291 WeakPolarHBondContact O-CG1 3.38Å; T287-I291 PolarHBondContact O-N 3.37Å; D288-I291 WeakPolarHBondContact O-CB 3.48Å; D288-I291 PolarHBondContact O-N 2.79Å; D288-I291 VanDerWaalsContact O-N 3.14Å; I291-H293 VanDerWaalsContact C-N 3.33Å; I291-H293 PolarHBondContact O-N 3.43Å; I291-C294 WeakPolarHBondContact O-CA 3.49Å; I291-C294 VanDerWaalsContact O-CB 3.27Å; I291-C294 WeakPolarHBondContact O-CB 3.25Å; I291-C294 PolarHBondContact O-N 3.21Å; I291-E295 PolarHBondContact O-N 3.48Å
292	D	89.3	Confident	79.3	Confident	36 Å²	36	62.7 Å²	62.7	19%	0.193	31%	0.309	C	S	.	.	H	α-helix	trans	-54.9	-48.2	178.4	-177.7	53.1	0	0	0	111.7	F278 K280 I283 D288 C294 E295 D296	F278-D292 HydrophobicContact CE2-CB 4.13Å; F278-D292 HydrophobicContact CZ-CB 3.77Å; K280-D292 WeakPolarHBondContact CE-OD1 3.46Å; I283-D292 HydrophobicContact CD1-CB 3.9Å; D288-D292 WeakPolarHBondContact O-CB 3.01Å; D288-D292 PolarHBondContact O-N 3.13Å; D292-C294 VanDerWaalsContact C-N 3.25Å; D292-C294 PolarHBondContact O-N 3.08Å; D292-E295 PolarHBondContact O-N 2.93Å; D292-E295 VanDerWaalsContact O-N 3.08Å; D292-D296 PolarHBondContact O-N 3.34Å
293	H	84.3	Confident	77.4	Confident	58 Å²	58	59.3 Å²	59.3	27%	0.269	29%	0.292	S	S	.	.	H	α-helix	trans	-63.3	-29.8	176.2	-177.8	-82.7	0	0	0	113.2	L142 S289 I291 R297	L142-H293 VanDerWaalsContact CD1-CE1 3.46Å; L142-H293 WeakPolarHBondContact CD1-CE1 3.49Å; L142-H293 WeakPolarHBondContact CD2-CE1 3.44Å; L142-H293 WeakPolarHBondContact CD2-NE2 3.29Å; S289-H293 WeakPolarHBondContact O-CB 3.41Å; S289-H293 PolarHBondContact O-N 3.26Å; I291-H293 VanDerWaalsContact C-N 3.33Å; I291-H293 PolarHBondContact O-N 3.43Å; H293-R297 WeakPolarHBondContact CE1-CD 3.44Å
294	C	78.5	Confident	75.2	Confident	3 Å²	3	64.9 Å²	64.9	2%	0.02	32%	0.322	C	S	.	.	H	α-helix	trans	-71.1	-39	172.9	-84.5	0	0	0	0	112.1	L290 I291 D292 K298 M307 V312	L290-C294 PolarHBondContact O-N 2.89Å; L290-C294 VanDerWaalsContact O-N 3.12Å; L290-C294 PolarHBondContact O-SG 2.96Å; I291-C294 WeakPolarHBondContact O-CA 3.49Å; I291-C294 VanDerWaalsContact O-CB 3.27Å; I291-C294 WeakPolarHBondContact O-CB 3.25Å; I291-C294 PolarHBondContact O-N 3.21Å; D292-C294 VanDerWaalsContact C-N 3.25Å; D292-C294 PolarHBondContact O-N 3.08Å; C294-K298 WeakPolarHBondContact O-CG 3.47Å; C294-K298 PolarHBondContact O-N 3.37Å; C294-M307 WeakPolarHBondContact SG-CE 3.44Å; C294-V312 WeakPolarHBondContact SG-CG2 3.45Å
295	E	76	Confident	73.4	Confident	76 Å²	76	63.1 Å²	63.1	36%	0.355	32%	0.319	S	S	.	.	H	α-helix	trans	-67.9	-44.4	177.9	-66.1	-158.7	154.3	0	0	112.1	F278 I291 D292 R297 K298	F278-E295 WeakPolarHBondContact CE1-OE2 3.48Å; I291-E295 PolarHBondContact O-N 3.48Å; D292-E295 PolarHBondContact O-N 2.93Å; D292-E295 VanDerWaalsContact O-N 3.08Å; E295-R297 VanDerWaalsContact C-N 3.27Å; E295-R297 PolarHBondContact O-N 2.74Å; E295-K298 WeakPolarHBondContact O-CB 3.28Å; E295-K298 PolarHBondContact O-N 3.4Å; E295-K298 VanDerWaalsContact O-N 3.12Å
296	D	71.9	Confident	71.4	Confident	73 Å²	73	70.6 Å²	70.6	39%	0.39	35%	0.354	S	S	.	.	H	α-helix	trans	-59.9	-36.3	179	-84.9	-6.1	0	0	0	112.7	K280 D292 L299	K280-D296 IonicContact NZ-OD1 3.9Å; K280-D296 PolarHBondContact NZ-OD1 3.2Å; D292-D296 PolarHBondContact O-N 3.34Å; D296-L299 WeakPolarHBondContact O-CB 3.46Å; D296-L299 PolarHBondContact O-N 3.2Å
297	R	65.4	Low	69.7	Low	62 Å²	62	71.3 Å²	71.3	23%	0.234	36%	0.358	C	S	.	.	H	α-helix	trans	-82.1	-15.5	179.3	-64.9	-167.7	80.1	-150.8	6.7	114.3	H293 E295 L299 D300 I305	H293-R297 WeakPolarHBondContact CE1-CD 3.44Å; E295-R297 VanDerWaalsContact C-N 3.27Å; E295-R297 PolarHBondContact O-N 2.74Å; R297-L299 PolarHBondContact O-N 3.41Å; R297-D300 PolarHBondContact O-N 2.68Å; R297-I305 PolarHBondContact NH1-O 2.99Å
298	K	58.3	Low	68.3	Low	125 Å²	125	73.6 Å²	73.6	54%	0.543	37%	0.374	S	S	.	.	H	α-helix	trans	-66.6	-22.4	168.5	-74.7	172.3	-174.7	172	0	111.1	C294 E295 D309	C294-K298 WeakPolarHBondContact O-CG 3.47Å; C294-K298 PolarHBondContact O-N 3.37Å; E295-K298 WeakPolarHBondContact O-CB 3.28Å; E295-K298 PolarHBondContact O-N 3.4Å; E295-K298 VanDerWaalsContact O-N 3.12Å; K298-D309 IonicContact NZ-OD1 3.44Å; K298-D309 PolarHBondContact NZ-OD1 2.94Å
299	L	55.2	Low	67.1	Low	139 Å²	139	76.8 Å²	76.8	73%	0.728	39%	0.391	S	S	*	.	S	Bend	trans	-83.6	-17.1	177.3	-59.6	169.7	0	0	0	113.6	D296 R297	D296-L299 WeakPolarHBondContact O-CB 3.46Å; D296-L299 PolarHBondContact O-N 3.2Å; R297-L299 PolarHBondContact O-N 3.41Å
300	D	55	Low	66	Low	108 Å²	108	80.1 Å²	80.1	58%	0.578	40%	0.402	S	S	*	.			trans	-95	89.2	176.8	-93	-20.7	0	0	0	111.4	R297 N302 S303	R297-D300 PolarHBondContact O-N 2.68Å; D300-N302 PolarHBondContact O-N 2.97Å; D300-N302 VanDerWaalsContact O-N 3.08Å; D300-S303 WeakPolarHBondContact O-CB 3.23Å; D300-S303 PolarHBondContact O-N 3.32Å; D300-S303 VanDerWaalsContact O-N 3.1Å; D300-S303 PolarHBondContact O-OG 3.48Å; D300-S303 VanDerWaalsContact O-OG 3.06Å
301	E	50.3	Low	65.1	Low	195 Å²	195	82.2 Å²	82.2	91%	0.911	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-21.8	179.7	-71.3	-174.2	160	0	0	114.1
302	N	49.5	Very low	64.5	Low	160 Å²	160	82.2 Å²	82.2	86%	0.856	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	4.3	-179.9	-79.8	-29.7	0	0	0	114.4	D300 N304	D300-N302 PolarHBondContact O-N 2.97Å; D300-N302 VanDerWaalsContact O-N 3.08Å; N302-N304 PolarHBondContact O-N 3.34Å
303	S	52.4	Low	64.2	Low	20 Å²	20	80.9 Å²	80.9	14%	0.14	41%	0.405	C	S	.	.			trans	-86	99.5	-177.4	76.8	0	0	0	0	112	D300 I305	D300-S303 WeakPolarHBondContact O-CB 3.23Å; D300-S303 PolarHBondContact O-N 3.32Å; D300-S303 VanDerWaalsContact O-N 3.1Å; D300-S303 PolarHBondContact O-OG 3.48Å; D300-S303 VanDerWaalsContact O-OG 3.06Å; S303-I305 PolarHBondContact O-N 3.07Å
304	N	47.4	Very low	64.3	Low	172 Å²	172	78.1 Å²	78.1	92%	0.92	39%	0.392	S	S	*	.	S	Bend	trans	-60.6	5.9	175.9	-79.5	-19.7	0	0	0	115.3	N302	N302-N304 PolarHBondContact O-N 3.34Å
305	I	53.5	Low	64.9	Low	58 Å²	58	78 Å²	78	30%	0.297	39%	0.391	S	S	.	.			trans	-129.1	72	178.5	-50.4	175	0	0	0	107.6	A138 R297 S303 M307	A138-I305 HydrophobicContact CB-CD1 4.35Å; R297-I305 PolarHBondContact NH1-O 2.99Å; S303-I305 PolarHBondContact O-N 3.07Å; I305-M307 PolarHBondContact O-N 3.1Å
306	Q	53.8	Low	65.7	Low	160 Å²	160	74.4 Å²	74.4	75%	0.748	37%	0.374	S	S	*	.			trans	-63.5	122.1	166.8	-78.1	-179.4	-12.7	0	0	109	K311	Q306-K311 PolarHBondContact O-NZ 2.93Å; Q306-K311 VanDerWaalsContact O-NZ 3.11Å
307	M	59.3	Low	66.8	Low	15 Å²	15	71.1 Å²	71.1	7%	0.074	36%	0.357	C	S	.	.			trans	-91.2	109.9	174.7	-163.3	154.5	87.6	0	0	107.3	L142 C294 I305 K311 V312	L142-M307 HydrophobicContact CD1-CE 3.62Å; L142-M307 HydrophobicContact CD1-SD 3.45Å; L142-M307 WeakPolarHBondContact CD1-SD 3.17Å; C294-M307 WeakPolarHBondContact SG-CE 3.44Å; I305-M307 PolarHBondContact O-N 3.1Å; M307-K311 HydrophobicContact CG-CB 3.75Å; M307-K311 HydrophobicContact CG-CD 4.02Å; M307-V312 HydrophobicContact CE-CG2 4.2Å
308	S	64.9	Low	68.2	Low	47 Å²	47	69 Å²	69	33%	0.329	35%	0.35	S	S	.	.			trans	-73.6	154	173.7	53.2	0	0	0	0	110.1	E310 K311	S308-E310 PolarHBondContact O-N 3.3Å; S308-E310 VanDerWaalsContact O-N 3.12Å; S308-K311 WeakPolarHBondContact O-CA 3.44Å; S308-K311 WeakPolarHBondContact O-CB 3.13Å; S308-K311 PolarHBondContact O-N 3.26Å
309	D	68.9	Low	70	Confident	67 Å²	67	63.7 Å²	63.7	36%	0.358	33%	0.327	S	S	.	.	H	α-helix	trans	-55.9	-31	178.3	-53.9	-11.6	0	0	0	111.7	Y275 K298 K311 V312 V313	Y275-D309 HydrophobicContact CE2-CB 4.43Å; Y275-D309 PolarHBondContact OH-OD1 3.09Å; K298-D309 IonicContact NZ-OD1 3.44Å; K298-D309 PolarHBondContact NZ-OD1 2.94Å; D309-K311 PolarHBondContact O-N 3.31Å; D309-V312 WeakPolarHBondContact O-CB 3.45Å; D309-V312 PolarHBondContact O-N 2.8Å; D309-V313 PolarHBondContact O-N 2.81Å
310	E	71.1	Confident	71.9	Confident	105 Å²	105	57 Å²	57	49%	0.491	29%	0.293	S	S	.	.	H	α-helix	trans	-56.9	-31	172	-56.3	-178.2	147.3	0	0	113.6	K124 S308 G314	K124-E310 IonicContact NZ-OE1 3.3Å; K124-E310 PolarHBondContact NZ-OE1 3.4Å; K124-E310 IonicContact NZ-OE2 2.97Å; K124-E310 PolarHBondContact NZ-OE2 3.12Å; S308-E310 PolarHBondContact O-N 3.3Å; S308-E310 VanDerWaalsContact O-N 3.12Å; E310-G314 PolarHBondContact O-N 2.85Å
311	K	72.1	Confident	73.8	Confident	48 Å²	48	52.8 Å²	52.8	21%	0.209	27%	0.274	C	S	.	.	H	α-helix	trans	-78.3	-26.4	178.7	-66.7	174.5	-174.4	170.4	0	112	Q306 M307 S308 D309 I315	Q306-K311 PolarHBondContact O-NZ 2.93Å; Q306-K311 VanDerWaalsContact O-NZ 3.11Å; M307-K311 HydrophobicContact CG-CB 3.75Å; M307-K311 HydrophobicContact CG-CD 4.02Å; S308-K311 WeakPolarHBondContact O-CA 3.44Å; S308-K311 WeakPolarHBondContact O-CB 3.13Å; S308-K311 PolarHBondContact O-N 3.26Å; D309-K311 PolarHBondContact O-N 3.31Å; K311-I315 WeakPolarHBondContact O-CG1 3.46Å; K311-I315 PolarHBondContact O-N 2.82Å; K311-I315 VanDerWaalsContact O-N 3.13Å
312	V	78.1	Confident	76	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-65.1	-53.3	170.4	174.5	0	0	0	0	109	L290 C294 M307 D309 G314 I315 V316	L290-V312 HydrophobicContact CB-CB 4.5Å; L290-V312 HydrophobicContact CB-CG1 3.72Å; L290-V312 HydrophobicContact CB-CG2 4.22Å; L290-V312 HydrophobicContact CD1-CG1 4.29Å; C294-V312 WeakPolarHBondContact SG-CG2 3.45Å; M307-V312 HydrophobicContact CE-CG2 4.2Å; D309-V312 WeakPolarHBondContact O-CB 3.45Å; D309-V312 PolarHBondContact O-N 2.8Å; V312-G314 PolarHBondContact O-N 2.82Å; V312-I315 PolarHBondContact O-N 3.12Å; V312-V316 WeakPolarHBondContact O-CG2 3.38Å; V312-V316 PolarHBondContact O-N 2.99Å; V312-V316 VanDerWaalsContact O-N 3.08Å
313	V	81.9	Confident	78.2	Confident	8 Å²	8	39.2 Å²	39.2	5%	0.048	22%	0.219	C	C	.	.	H	α-helix	trans	-50.8	-46.2	175.6	176.6	0	0	0	0	110.2	V267 V271 D309 I315 V316 N317	V267-V313 HydrophobicContact CG1-CG1 4.18Å; V271-V313 HydrophobicContact CB-CG2 4.1Å; V271-V313 HydrophobicContact CG1-CG2 3.83Å; V271-V313 HydrophobicContact CG2-CG2 4.15Å; D309-V313 PolarHBondContact O-N 2.81Å; V313-I315 PolarHBondContact O-N 3.34Å; V313-V316 WeakPolarHBondContact O-CG2 3.34Å; V313-V316 PolarHBondContact O-N 3.37Å; V313-N317 WeakPolarHBondContact O-CB 3.44Å; V313-N317 PolarHBondContact O-N 2.82Å
314	G	86	Confident	80.2	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-67.5	-27.4	179.2	0	0	0	0	0	116.3	N121 E310 V312 D318	N121-G314 WeakPolarHBondContact ND2-CA 3.44Å; E310-G314 PolarHBondContact O-N 2.85Å; V312-G314 PolarHBondContact O-N 2.82Å; G314-D318 PolarHBondContact O-N 2.87Å
315	I	92	Very high	82.6	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-73.2	-51.9	173.6	-71.7	167.8	0	0	0	109.4	R139 A143 L290 K311 V312 V313 N317 D318 L319	R139-I315 HydrophobicContact CB-CD1 4.23Å; A143-I315 HydrophobicContact CB-CG2 3.57Å; L290-I315 HydrophobicContact CD1-CB 4.05Å; L290-I315 HydrophobicContact CD1-CG2 3.66Å; L290-I315 HydrophobicContact CD2-CD1 4.23Å; L290-I315 HydrophobicContact CD2-CG2 4.45Å; K311-I315 WeakPolarHBondContact O-CG1 3.46Å; K311-I315 PolarHBondContact O-N 2.82Å; K311-I315 VanDerWaalsContact O-N 3.13Å; V312-I315 PolarHBondContact O-N 3.12Å; V313-I315 PolarHBondContact O-N 3.34Å; I315-N317 VanDerWaalsContact C-N 3.3Å; I315-N317 PolarHBondContact O-N 3.42Å; I315-D318 PolarHBondContact O-N 2.81Å; I315-L319 HydrophobicContact CG2-CD1 3.96Å; I315-L319 HydrophobicContact CG2-CG 4.22Å; I315-L319 VanDerWaalsContact O-CG 3.31Å; I315-L319 WeakPolarHBondContact O-CG 3.4Å; I315-L319 PolarHBondContact O-N 2.88Å
316	V	93.3	Very high	84.7	Confident	0 Å²	0	30 Å²	30	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-67	-31.8	-177.1	-62.7	0	0	0	0	112.5	F208 V267 V271 I286 L290 V312 V313 L319 F320	F208-V316 HydrophobicContact CE1-CB 4.1Å; F208-V316 HydrophobicContact CE1-CG2 4.08Å; F208-V316 HydrophobicContact CZ-CB 4.26Å; F208-V316 HydrophobicContact CZ-CG2 4.41Å; V267-V316 HydrophobicContact CG1-CG2 3.61Å; V271-V316 HydrophobicContact CG2-CG2 3.7Å; I286-V316 HydrophobicContact CG2-CG1 4.28Å; L290-V316 HydrophobicContact CD1-CG1 3.59Å; V312-V316 WeakPolarHBondContact O-CG2 3.38Å; V312-V316 PolarHBondContact O-N 2.99Å; V312-V316 VanDerWaalsContact O-N 3.08Å; V313-V316 WeakPolarHBondContact O-CG2 3.34Å; V313-V316 PolarHBondContact O-N 3.37Å; V316-L319 PolarHBondContact O-N 3.49Å; V316-F320 VanDerWaalsContact O-CB 3.26Å; V316-F320 WeakPolarHBondContact O-CB 3.25Å; V316-F320 PolarHBondContact O-N 2.85Å
317	N	93.9	Very high	86.8	Confident	5 Å²	5	22.6 Å²	22.6	3%	0.027	14%	0.135	C	C	.	.	H	α-helix	trans	-58.5	-51.5	172	-174.1	-69.8	0	0	0	111.1	F263 N264 V267 V313 I315 L319 F320 G321	F263-N317 WeakPolarHBondContact CD1-ND2 3.24Å; F263-N317 WeakPolarHBondContact CD1-OD1 3.44Å; F263-N317 HydrophobicContact CE1-CB 4.41Å; F263-N317 WeakPolarHBondContact CE1-O 3.43Å; F263-N317 WeakPolarHBondContact CE1-OD1 3.04Å; N264-N317 PolarHBondContact OD1-ND2 2.86Å; V267-N317 HydrophobicContact CG1-CB 4.17Å; V267-N317 HydrophobicContact CG2-CB 4.42Å; V313-N317 WeakPolarHBondContact O-CB 3.44Å; V313-N317 PolarHBondContact O-N 2.82Å; I315-N317 VanDerWaalsContact C-N 3.3Å; I315-N317 PolarHBondContact O-N 3.42Å; N317-L319 PolarHBondContact O-N 3.5Å; N317-F320 PolarHBondContact O-N 3.42Å; N317-G321 PolarHBondContact O-N 3.15Å
318	D	95.4	Very high	88.6	Confident	18 Å²	18	21.9 Å²	21.9	10%	0.096	13%	0.131	C	C	.	.	H	α-helix	trans	-63.6	-41.1	177.8	-86.4	34.9	0	0	0	112.5	S125 L126 A127 G314 I315 A322	S125-D318 WeakPolarHBondContact CB-OD1 3.23Å; S125-D318 PolarHBondContact OG-OD1 2.96Å; S125-D318 PolarHBondContact OG-OD2 3.49Å; L126-D318 VanDerWaalsContact CA-OD2 3.29Å; L126-D318 WeakPolarHBondContact CA-OD2 3.34Å; L126-D318 HydrophobicContact CB-CB 4.45Å; L126-D318 VanDerWaalsContact CB-OD2 3.25Å; L126-D318 WeakPolarHBondContact CB-OD2 3.36Å; L126-D318 PolarHBondContact N-OD2 3.41Å; A127-D318 WeakPolarHBondContact CB-OD2 3.33Å; A127-D318 PolarHBondContact N-OD2 3Å; G314-D318 PolarHBondContact O-N 2.87Å; I315-D318 PolarHBondContact O-N 2.81Å; D318-A322 WeakPolarHBondContact O-CB 3.27Å; D318-A322 PolarHBondContact O-N 3.43Å
319	L	96.4	Very high	90.2	Very high	12 Å²	12	19.7 Å²	19.7	6%	0.063	12%	0.116	C	C	.	.	H	α-helix	trans	-63.8	-48.7	178.2	-69.6	-175.1	0	0	0	111.7	A143 L147 I286 I315 V316 N317 G323 I464	A143-L319 HydrophobicContact CB-CD2 4.48Å; L147-L319 HydrophobicContact CD1-CD2 3.51Å; L147-L319 HydrophobicContact CD2-CD1 4.04Å; L147-L319 HydrophobicContact CD2-CD2 4.01Å; L147-L319 HydrophobicContact CG-CD1 3.99Å; L147-L319 HydrophobicContact CG-CD2 3.82Å; I286-L319 HydrophobicContact CD1-CD1 4.47Å; I286-L319 HydrophobicContact CG2-CD1 3.9Å; I315-L319 HydrophobicContact CG2-CD1 3.96Å; I315-L319 HydrophobicContact CG2-CG 4.22Å; I315-L319 VanDerWaalsContact O-CG 3.31Å; I315-L319 WeakPolarHBondContact O-CG 3.4Å; I315-L319 PolarHBondContact O-N 2.88Å; V316-L319 PolarHBondContact O-N 3.49Å; N317-L319 PolarHBondContact O-N 3.5Å; L319-G323 PolarHBondContact O-N 2.73Å; L319-I464 HydrophobicContact CD2-CD1 3.78Å
320	F	95.5	Very high	91.6	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-63.2	-51.2	178.9	-175.4	-126.9	0	0	0	110.7	I203 C204 F208 L219 F263 F266 V267 V316 N317 A322 G323 F324	I203-F320 HydrophobicContact CB-CD2 4.48Å; I203-F320 HydrophobicContact CG1-CD2 4.29Å; I203-F320 HydrophobicContact CG2-CD2 3.62Å; I203-F320 HydrophobicContact CG2-CE2 3.82Å; C204-F320 HydrophobicContact CB-CE2 3.87Å; F208-F320 HydrophobicContact CE2-CB 4.16Å; F208-F320 HydrophobicContact CE2-CD1 4.24Å; F208-F320 HydrophobicContact CE2-CD2 4.07Å; F208-F320 AromaticContact CE2-CG 3.91Å; F208-F320 HydrophobicContact CE2-CG 3.91Å; F208-F320 HydrophobicContact CZ-CB 4.41Å; L219-F320 HydrophobicContact CD1-CZ 4.03Å; F263-F320 AromaticContact CE2-CD1 3.42Å; F263-F320 HydrophobicContact CE2-CD1 3.42Å; F263-F320 VanDerWaalsContact CE2-CD1 3.42Å; F263-F320 AromaticContact CE2-CE1 3.63Å; F263-F320 HydrophobicContact CE2-CE1 3.63Å; F263-F320 HydrophobicContact CZ-CB 4.28Å; F263-F320 AromaticContact CZ-CD1 3.36Å; F263-F320 HydrophobicContact CZ-CD1 3.36Å; F263-F320 HydrophobicContact CZ-CE1 4.07Å; F263-F320 HydrophobicContact CZ-CG 4.19Å; F266-F320 HydrophobicContact CD1-CE1 4.18Å; F266-F320 HydrophobicContact CE1-CD1 4.42Å; F266-F320 AromaticContact CE1-CE1 3.68Å; F266-F320 HydrophobicContact CE1-CE1 3.68Å; F266-F320 HydrophobicContact CE1-CZ 4.18Å; V267-F320 HydrophobicContact CG2-CD1 4.46Å; V316-F320 VanDerWaalsContact O-CB 3.26Å; V316-F320 WeakPolarHBondContact O-CB 3.25Å; V316-F320 PolarHBondContact O-N 2.85Å; N317-F320 PolarHBondContact O-N 3.42Å; F320-A322 PolarHBondContact O-N 3.09Å; F320-G323 PolarHBondContact O-N 3.34Å; F320-F324 HydrophobicContact CD1-CD1 4.44Å; F320-F324 HydrophobicContact CD1-CE1 4.5Å; F320-F324 HydrophobicContact CD2-CD1 4.48Å; F320-F324 HydrophobicContact CE1-CD1 4.32Å; F320-F324 HydrophobicContact CE1-CE1 4.41Å; F320-F324 HydrophobicContact CE2-CD1 4.36Å; F320-F324 HydrophobicContact CG-CD1 4.48Å; F320-F324 HydrophobicContact CZ-CD1 4.27Å; F320-F324 WeakPolarHBondContact O-CD1 3.43Å; F320-F324 PolarHBondContact O-N 3.31Å; F320-F324 VanDerWaalsContact O-N 3.09Å
321	G	94.8	Very high	92.9	Very high	19 Å²	19	11.7 Å²	11.7	20%	0.196	8%	0.077	C	C	.	.	H	α-helix	trans	-58.2	-49.4	-178.9	0	0	0	0	0	113.4	N317 D325	N317-G321 PolarHBondContact O-N 3.15Å; G321-D325 WeakPolarHBondContact O-CB 3.42Å; G321-D325 PolarHBondContact O-N 3.16Å
322	A	96.4	Very high	94.1	Very high	56 Å²	56	9.5 Å²	9.5	46%	0.463	7%	0.067	S	C	.	.	H	α-helix	trans	-68.2	-38.5	177.9	0	0	0	0	0	112.2	D318 F320 T326	D318-A322 WeakPolarHBondContact O-CB 3.27Å; D318-A322 PolarHBondContact O-N 3.43Å; F320-A322 PolarHBondContact O-N 3.09Å; A322-T326 WeakPolarHBondContact O-CB 3.26Å; A322-T326 WeakPolarHBondContact O-CG2 3.32Å; A322-T326 PolarHBondContact O-N 2.96Å; A322-T326 PolarHBondContact O-OG1 2.82Å
323	G	95.4	Very high	95.1	Very high	14 Å²	14	9.5 Å²	9.5	14%	0.144	7%	0.068	C	C	.	.	H	α-helix	trans	-62.7	-49.3	-177	0	0	0	0	0	112.6	L319 F320 I327	L319-G323 PolarHBondContact O-N 2.73Å; F320-G323 PolarHBondContact O-N 3.34Å; G323-I327 WeakPolarHBondContact O-CB 3.35Å; G323-I327 WeakPolarHBondContact O-CD1 3.37Å; G323-I327 WeakPolarHBondContact O-CG1 3.39Å
324	F	95.1	Very high	95.9	Very high	10 Å²	10	9.1 Å²	9.1	4%	0.044	7%	0.065	C	C	.	.	H	α-helix	trans	-76.6	-42.7	-177.7	80.8	-104.9	0	0	0	112.9	V196 A200 I203 V223 A226 F263 F320 S328	V196-F324 HydrophobicContact CG2-CD2 4.11Å; A200-F324 HydrophobicContact CB-CB 3.88Å; A200-F324 HydrophobicContact CB-CG 4.45Å; I203-F324 HydrophobicContact CG2-CB 4.08Å; V223-F324 HydrophobicContact CB-CD2 4.24Å; V223-F324 HydrophobicContact CB-CE2 4.17Å; V223-F324 HydrophobicContact CG1-CD2 4.08Å; V223-F324 HydrophobicContact CG1-CE2 4.15Å; V223-F324 HydrophobicContact CG1-CG 4.32Å; V223-F324 HydrophobicContact CG1-CZ 4.41Å; A226-F324 HydrophobicContact CB-CE2 3.74Å; A226-F324 HydrophobicContact CB-CZ 4.22Å; F263-F324 AromaticContact CE2-CE1 3.73Å; F263-F324 HydrophobicContact CE2-CE1 3.73Å; F263-F324 HydrophobicContact CE2-CZ 4.43Å; F263-F324 HydrophobicContact CZ-CE1 4.04Å; F320-F324 HydrophobicContact CD1-CD1 4.44Å; F320-F324 HydrophobicContact CD1-CE1 4.5Å; F320-F324 HydrophobicContact CD2-CD1 4.48Å; F320-F324 HydrophobicContact CE1-CD1 4.32Å; F320-F324 HydrophobicContact CE1-CE1 4.41Å; F320-F324 HydrophobicContact CE2-CD1 4.36Å; F320-F324 HydrophobicContact CG-CD1 4.48Å; F320-F324 HydrophobicContact CZ-CD1 4.27Å; F320-F324 WeakPolarHBondContact O-CD1 3.43Å; F320-F324 PolarHBondContact O-N 3.31Å; F320-F324 VanDerWaalsContact O-N 3.09Å; F324-S328 WeakPolarHBondContact O-CB 3.22Å; F324-S328 PolarHBondContact O-N 3.04Å; F324-S328 VanDerWaalsContact O-N 3.12Å; F324-S328 PolarHBondContact O-OG 3.3Å
325	D	96.5	Very high	96.5	Very high	12 Å²	12	9.2 Å²	9.2	6%	0.064	7%	0.066	C	C	.	.	H	α-helix	trans	-69.9	-44.1	-170.9	-176.2	77.5	0	0	0	112.2	A226 G321 S328 T329 T503 K505	A226-D325 WeakPolarHBondContact CB-OD1 3.49Å; G321-D325 WeakPolarHBondContact O-CB 3.42Å; G321-D325 PolarHBondContact O-N 3.16Å; D325-S328 PolarHBondContact O-OG 2.85Å; D325-S328 VanDerWaalsContact O-OG 3.11Å; D325-T329 WeakPolarHBondContact O-CB 3.31Å; D325-T329 PolarHBondContact O-N 3.41Å; D325-T329 VanDerWaalsContact O-N 3.11Å; D325-T329 PolarHBondContact O-OG1 2.92Å; D325-T503 VanDerWaalsContact OD2-CG2 3.28Å; D325-T503 WeakPolarHBondContact OD2-CG2 3.34Å; D325-T503 PolarHBondContact OD2-OG1 3.25Å; D325-K505 VanDerWaalsContact CG-NZ 3.3Å; D325-K505 IonicContact OD1-NZ 3.55Å; D325-K505 PolarHBondContact OD1-NZ 2.84Å; D325-K505 IonicContact OD2-NZ 2.64Å; D325-K505 PolarHBondContact OD2-NZ 3.47Å
326	T	97.8	Very high	96.8	Very high	34 Å²	34	9.2 Å²	9.2	21%	0.209	7%	0.066	C	C	.	.	H	α-helix	trans	-73.4	-39.4	-173.3	61.3	0	0	0	0	112.6	A322 G330 Y386 T503	A322-T326 WeakPolarHBondContact O-CB 3.26Å; A322-T326 WeakPolarHBondContact O-CG2 3.32Å; A322-T326 PolarHBondContact O-N 2.96Å; A322-T326 PolarHBondContact O-OG1 2.82Å; T326-G330 PolarHBondContact O-N 2.9Å; T326-G330 VanDerWaalsContact O-N 3.09Å; T326-Y386 WeakPolarHBondContact O-CE2 3.43Å; T326-Y386 PolarHBondContact O-OH 3.46Å; T326-T503 HydrophobicContact CG2-CG2 4.01Å
327	I	98.1	Very high	97	Very high	4 Å²	4	9.5 Å²	9.5	2%	0.021	7%	0.067	C	C	.	.	H	α-helix	trans	-76.7	-42.8	-178.5	-62	176.4	0	0	0	110.2	V199 G323 T329 G330 L331 A469 E472 V473	V199-I327 HydrophobicContact CG1-CB 3.64Å; V199-I327 HydrophobicContact CG1-CG2 3.66Å; V199-I327 HydrophobicContact CG2-CG2 4.03Å; G323-I327 WeakPolarHBondContact O-CB 3.35Å; G323-I327 WeakPolarHBondContact O-CD1 3.37Å; G323-I327 WeakPolarHBondContact O-CG1 3.39Å; I327-T329 VanDerWaalsContact C-N 3.28Å; I327-T329 PolarHBondContact O-N 3.39Å; I327-G330 PolarHBondContact O-N 3.37Å; I327-G330 VanDerWaalsContact O-N 3.08Å; I327-L331 HydrophobicContact CG2-CD1 4.1Å; I327-L331 HydrophobicContact CG2-CG 4.45Å; I327-L331 PolarHBondContact O-N 2.93Å; I327-A469 HydrophobicContact CD1-CB 4.03Å; I327-A469 HydrophobicContact CG1-CB 4.03Å; I327-E472 HydrophobicContact CD1-CB 4.24Å; I327-E472 HydrophobicContact CD1-CG 4.22Å; I327-E472 WeakPolarHBondContact CD1-OE2 3.34Å; I327-E472 HydrophobicContact CG2-CB 4.47Å; I327-E472 HydrophobicContact CG2-CG 3.85Å; I327-V473 HydrophobicContact CG2-CG2 4.11Å
328	S	97.8	Very high	97.2	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-60.8	-37.9	174.4	62.6	0	0	0	0	112.1	F324 D325 S332	F324-S328 WeakPolarHBondContact O-CB 3.22Å; F324-S328 PolarHBondContact O-N 3.04Å; F324-S328 VanDerWaalsContact O-N 3.12Å; F324-S328 PolarHBondContact O-OG 3.3Å; D325-S328 PolarHBondContact O-OG 2.85Å; D325-S328 VanDerWaalsContact O-OG 3.11Å; S328-S332 WeakPolarHBondContact O-CB 3.32Å; S328-S332 PolarHBondContact O-N 3.28Å
329	T	97.9	Very high	97.3	Very high	2 Å²	2	8.7 Å²	8.7	1%	0.012	6%	0.063	C	C	.	.	H	α-helix	trans	-62.6	-45.9	170.6	-74.7	0	0	0	0	112.6	D325 I327 S332 W333 Y386 M504 K505	D325-T329 WeakPolarHBondContact O-CB 3.31Å; D325-T329 PolarHBondContact O-N 3.41Å; D325-T329 VanDerWaalsContact O-N 3.11Å; D325-T329 PolarHBondContact O-OG1 2.92Å; I327-T329 VanDerWaalsContact C-N 3.28Å; I327-T329 PolarHBondContact O-N 3.39Å; T329-S332 PolarHBondContact O-N 3.14Å; T329-W333 VanDerWaalsContact O-CD1 3.27Å; T329-W333 PolarHBondContact O-N 2.9Å; T329-Y386 HydrophobicContact CG2-CD1 4.36Å; T329-Y386 HydrophobicContact CG2-CD2 3.47Å; T329-Y386 VanDerWaalsContact CG2-CD2 3.47Å; T329-Y386 HydrophobicContact CG2-CE2 4.1Å; T329-Y386 HydrophobicContact CG2-CG 3.64Å; T329-M504 WeakPolarHBondContact CG2-O 3.49Å; T329-K505 HydrophobicContact CG2-CD 4.39Å; T329-K505 VanDerWaalsContact OG1-CD 3.24Å; T329-K505 WeakPolarHBondContact OG1-CD 3.28Å; T329-K505 WeakPolarHBondContact OG1-CE 3.48Å; T329-K505 PolarHBondContact OG1-NZ 3.15Å
330	G	98.3	Very high	97.3	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-58.2	-50.2	177.9	0	0	0	0	0	111.9	T326 I327 W333 A334	T326-G330 PolarHBondContact O-N 2.9Å; T326-G330 VanDerWaalsContact O-N 3.09Å; I327-G330 PolarHBondContact O-N 3.37Å; I327-G330 VanDerWaalsContact O-N 3.08Å; G330-W333 PolarHBondContact O-N 3.48Å; G330-A334 WeakPolarHBondContact O-CB 3.45Å; G330-A334 PolarHBondContact O-N 3.35Å
331	L	98.6	Very high	97.4	Very high	4 Å²	4	12.7 Å²	12.7	2%	0.021	8%	0.081	C	C	.	.	H	α-helix	trans	-66.2	-38.5	178.5	-70.4	175.4	0	0	0	113.1	I195 V199 I327 A334 V335 V473 F476 L477	I195-L331 HydrophobicContact CG2-CB 3.66Å; I195-L331 HydrophobicContact CG2-CD1 4.13Å; V199-L331 HydrophobicContact CG2-CD1 3.66Å; I327-L331 HydrophobicContact CG2-CD1 4.1Å; I327-L331 HydrophobicContact CG2-CG 4.45Å; I327-L331 PolarHBondContact O-N 2.93Å; L331-A334 WeakPolarHBondContact O-CB 3.43Å; L331-A334 PolarHBondContact O-N 3.26Å; L331-V335 PolarHBondContact O-N 2.95Å; L331-V473 HydrophobicContact CD2-CG1 4.32Å; L331-F476 HydrophobicContact CD1-CB 3.78Å; L331-F476 HydrophobicContact CD1-CD1 4.43Å; L331-F476 HydrophobicContact CD1-CD2 3.7Å; L331-F476 HydrophobicContact CD1-CE2 4.38Å; L331-F476 HydrophobicContact CD1-CG 3.73Å; L331-F476 HydrophobicContact CD2-CB 3.75Å; L331-F476 HydrophobicContact CG-CB 4.44Å; L331-L477 HydrophobicContact CD2-CD2 3.86Å; L331-L477 HydrophobicContact CD2-CG 3.77Å
332	S	97.8	Very high	97.5	Very high	1 Å²	1	15 Å²	15	1%	0.007	9%	0.093	C	C	.	.	H	α-helix	trans	-63.8	-44	175.3	-161.5	0	0	0	0	111.2	S328 T329 A334 V335 M336 H506	S328-S332 WeakPolarHBondContact O-CB 3.32Å; S328-S332 PolarHBondContact O-N 3.28Å; T329-S332 PolarHBondContact O-N 3.14Å; S332-A334 VanDerWaalsContact C-N 3.32Å; S332-A334 PolarHBondContact O-N 3.02Å; S332-V335 PolarHBondContact O-N 3.42Å; S332-M336 VanDerWaalsContact O-CG 3.3Å; S332-M336 WeakPolarHBondContact O-CG 3.38Å; S332-M336 PolarHBondContact O-N 3.06Å; S332-M336 VanDerWaalsContact O-N 3.15Å; S332-H506 PolarHBondContact OG-NE2 3.13Å
333	W	98.5	Very high	97.5	Very high	1 Å²	1	17.5 Å²	17.5	0%	0.004	10%	0.095	C	C	.	.	H	α-helix	trans	-61.6	-40.7	171	-85.3	110.9	0	0	0	112	T329 G330 V335 M336 Y337 L380 M496 P498 M504 H506	T329-W333 VanDerWaalsContact O-CD1 3.27Å; T329-W333 PolarHBondContact O-N 2.9Å; G330-W333 PolarHBondContact O-N 3.48Å; W333-V335 VanDerWaalsContact C-N 3.35Å; W333-V335 PolarHBondContact O-N 3.43Å; W333-M336 CarbonylContact O-C 3.06Å; W333-M336 WeakPolarHBondContact O-CA 3.44Å; W333-M336 WeakPolarHBondContact O-CB 3.47Å; W333-M336 PolarHBondContact O-N 3.49Å; W333-M336 VanDerWaalsContact O-N 3.07Å; W333-Y337 HydrophobicContact CB-CD2 4.47Å; W333-Y337 HydrophobicContact CB-CE2 4.28Å; W333-Y337 AromaticContact CE3-CE2 3.85Å; W333-Y337 HydrophobicContact CE3-CE2 3.85Å; W333-Y337 WeakPolarHBondContact O-CD2 3.39Å; W333-Y337 PolarHBondContact O-N 2.91Å; W333-L380 HydrophobicContact CB-CD1 3.73Å; W333-M496 HydrophobicContact CE3-CE 4.12Å; W333-M496 WeakPolarHBondContact CH2-O 3.36Å; W333-M496 HydrophobicContact CZ3-CE 3.94Å; W333-M496 HydrophobicContact CZ3-SD 4.18Å; W333-P498 HydrophobicContact CH2-CB 4.23Å; W333-P498 HydrophobicContact CH2-CG 3.93Å; W333-P498 HydrophobicContact CZ2-CB 3.94Å; W333-P498 HydrophobicContact CZ2-CG 4.06Å; W333-M504 PolarHBondContact NE1-O 3.23Å; W333-H506 HydrophobicContact CD2-CB 4.45Å; W333-H506 HydrophobicContact CE3-CB 4.37Å; W333-H506 HydrophobicContact CH2-CB 3.71Å; W333-H506 HydrophobicContact CZ2-CB 3.78Å; W333-H506 HydrophobicContact CZ3-CB 4.02Å
334	A	98.6	Very high	97.7	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-57.1	-48.2	177.9	0	0	0	0	0	111.4	G330 L331 S332 M336 Y337 L338 F376 L380 L477	G330-A334 WeakPolarHBondContact O-CB 3.45Å; G330-A334 PolarHBondContact O-N 3.35Å; L331-A334 WeakPolarHBondContact O-CB 3.43Å; L331-A334 PolarHBondContact O-N 3.26Å; S332-A334 VanDerWaalsContact C-N 3.32Å; S332-A334 PolarHBondContact O-N 3.02Å; A334-M336 VanDerWaalsContact C-N 3.27Å; A334-M336 PolarHBondContact O-N 3.13Å; A334-Y337 PolarHBondContact O-N 2.97Å; A334-L338 WeakPolarHBondContact O-CG 3.46Å; A334-L338 PolarHBondContact O-N 3.05Å; A334-F376 HydrophobicContact CB-CE1 4.14Å; A334-F376 HydrophobicContact CB-CZ 4.34Å; A334-L380 HydrophobicContact CB-CD1 4.37Å; A334-L380 HydrophobicContact CB-CD2 3.74Å; A334-L477 HydrophobicContact CB-CD1 4.19Å; A334-L477 HydrophobicContact CB-CD2 3.54Å; A334-L477 HydrophobicContact CB-CG 4.47Å
335	V	98.3	Very high	97.8	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.006	9%	0.089	C	C	.	.	H	α-helix	trans	-57.4	-41.9	174.5	173.2	0	0	0	0	111.3	P191 I195 L331 S332 W333 Y337 L338 V339 F486 L511	P191-V335 HydrophobicContact CB-CG1 4.25Å; P191-V335 HydrophobicContact CG-CG1 4.16Å; I195-V335 HydrophobicContact CD1-CG2 3.92Å; L331-V335 PolarHBondContact O-N 2.95Å; S332-V335 PolarHBondContact O-N 3.42Å; W333-V335 VanDerWaalsContact C-N 3.35Å; W333-V335 PolarHBondContact O-N 3.43Å; V335-Y337 VanDerWaalsContact C-N 3.34Å; V335-Y337 PolarHBondContact O-N 2.86Å; V335-L338 PolarHBondContact O-N 2.92Å; V335-V339 WeakPolarHBondContact O-CB 3.26Å; V335-V339 WeakPolarHBondContact O-CG2 3.49Å; V335-V339 PolarHBondContact O-N 2.99Å; V335-F486 HydrophobicContact CG1-CD1 3.91Å; V335-F486 HydrophobicContact CG1-CE1 4.23Å; V335-F486 HydrophobicContact CG1-CG 4.24Å; V335-F486 HydrophobicContact CG2-CE1 4.29Å; V335-F486 HydrophobicContact CG2-CZ 4.22Å; V335-L511 HydrophobicContact CG1-CD1 3.68Å
336	M	98	Very high	97.9	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-62.8	-37.5	176.2	-64.2	-69.7	-76.5	0	0	112.9	S332 W333 A334 S340 V494 M496 H506 C509 L511	S332-M336 VanDerWaalsContact O-CG 3.3Å; S332-M336 WeakPolarHBondContact O-CG 3.38Å; S332-M336 PolarHBondContact O-N 3.06Å; S332-M336 VanDerWaalsContact O-N 3.15Å; W333-M336 CarbonylContact O-C 3.06Å; W333-M336 WeakPolarHBondContact O-CA 3.44Å; W333-M336 WeakPolarHBondContact O-CB 3.47Å; W333-M336 PolarHBondContact O-N 3.49Å; W333-M336 VanDerWaalsContact O-N 3.07Å; A334-M336 VanDerWaalsContact C-N 3.27Å; A334-M336 PolarHBondContact O-N 3.13Å; M336-S340 WeakPolarHBondContact O-CB 3.29Å; M336-S340 PolarHBondContact O-N 2.7Å; M336-S340 PolarHBondContact O-OG 2.85Å; M336-V494 HydrophobicContact CE-CG1 3.41Å; M336-V494 VanDerWaalsContact CE-CG1 3.41Å; M336-V494 HydrophobicContact SD-CG1 4.16Å; M336-M496 HydrophobicContact CB-CE 4.15Å; M336-M496 HydrophobicContact CB-SD 3.73Å; M336-M496 HydrophobicContact CE-SD 4.11Å; M336-H506 HydrophobicContact CE-CB 4.22Å; M336-C509 PolarHBondContact SD-SG 3.1Å; M336-L511 HydrophobicContact SD-CD1 4.19Å
337	Y	98.5	Very high	98	Very high	6 Å²	6	23.1 Å²	23.1	2%	0.024	11%	0.111	C	C	.	.	H	α-helix	trans	-69.7	-44.8	173.3	-76.4	-76.9	0	0	0	111.9	W333 A334 V335 V339 S340 Y341 L380 H383 F432 M496	W333-Y337 HydrophobicContact CB-CD2 4.47Å; W333-Y337 HydrophobicContact CB-CE2 4.28Å; W333-Y337 AromaticContact CE3-CE2 3.85Å; W333-Y337 HydrophobicContact CE3-CE2 3.85Å; W333-Y337 WeakPolarHBondContact O-CD2 3.39Å; W333-Y337 PolarHBondContact O-N 2.91Å; A334-Y337 PolarHBondContact O-N 2.97Å; V335-Y337 VanDerWaalsContact C-N 3.34Å; V335-Y337 PolarHBondContact O-N 2.86Å; Y337-V339 VanDerWaalsContact C-N 3.29Å; Y337-V339 PolarHBondContact O-N 3.38Å; Y337-S340 PolarHBondContact O-N 3.04Å; Y337-Y341 AromaticContact CD1-CD2 3.97Å; Y337-Y341 HydrophobicContact CD1-CD2 3.97Å; Y337-Y341 AromaticContact CD1-CE2 3.68Å; Y337-Y341 HydrophobicContact CD1-CE2 3.68Å; Y337-Y341 HydrophobicContact CE1-CE2 4.23Å; Y337-Y341 WeakPolarHBondContact O-CB 3.39Å; Y337-Y341 WeakPolarHBondContact O-CD2 3.5Å; Y337-Y341 PolarHBondContact O-N 3.38Å; Y337-L380 HydrophobicContact CD2-CD1 3.53Å; Y337-L380 HydrophobicContact CE2-CD1 3.71Å; Y337-H383 AromaticContact CE1-ND1 3.54Å; Y337-H383 AromaticContact CZ-ND1 3.5Å; Y337-H383 PolarHBondContact OH-ND1 2.68Å; Y337-F432 HydrophobicContact CD1-CB 4.28Å; Y337-F432 AromaticContact CD1-CD1 3.81Å; Y337-F432 HydrophobicContact CD1-CD1 3.81Å; Y337-F432 AromaticContact CD1-CD2 3.44Å; Y337-F432 HydrophobicContact CD1-CD2 3.44Å; Y337-F432 VanDerWaalsContact CD1-CD2 3.44Å; Y337-F432 AromaticContact CD1-CE1 3.95Å; Y337-F432 HydrophobicContact CD1-CE1 3.95Å; Y337-F432 AromaticContact CD1-CE2 3.59Å; Y337-F432 HydrophobicContact CD1-CE2 3.59Å; Y337-F432 AromaticContact CD1-CG 3.56Å; Y337-F432 HydrophobicContact CD1-CG 3.56Å; Y337-F432 AromaticContact CD1-CZ 3.86Å; Y337-F432 HydrophobicContact CD1-CZ 3.86Å; Y337-F432 HydrophobicContact CD2-CE2 4.32Å; Y337-F432 HydrophobicContact CE1-CB 4.12Å; Y337-F432 HydrophobicContact CE1-CD1 4.44Å; Y337-F432 AromaticContact CE1-CD2 3.38Å; Y337-F432 HydrophobicContact CE1-CD2 3.38Å; Y337-F432 AromaticContact CE1-CE2 3.85Å; Y337-F432 HydrophobicContact CE1-CE2 3.85Å; Y337-F432 AromaticContact CE1-CG 3.72Å; Y337-F432 HydrophobicContact CE1-CG 3.72Å; Y337-F432 HydrophobicContact CG-CD2 4.22Å; Y337-F432 HydrophobicContact CG-CE1 4.28Å; Y337-F432 AromaticContact CG-CE2 3.9Å; Y337-F432 HydrophobicContact CG-CE2 3.9Å; Y337-F432 AromaticContact CG-CZ 3.94Å; Y337-F432 HydrophobicContact CG-CZ 3.94Å; Y337-M496 HydrophobicContact CD1-CE 3.73Å; Y337-M496 HydrophobicContact CD2-CE 4.14Å; Y337-M496 HydrophobicContact CE1-CE 3.59Å; Y337-M496 HydrophobicContact CE2-CE 4Å; Y337-M496 HydrophobicContact CG-CE 3.97Å
338	L	98.3	Very high	98	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-56.5	-46.1	177.8	-65.3	173.5	0	0	0	110.9	A334 V335 S340 Y341 E345 L348 F376 I481 F486	A334-L338 WeakPolarHBondContact O-CG 3.46Å; A334-L338 PolarHBondContact O-N 3.05Å; V335-L338 PolarHBondContact O-N 2.92Å; L338-S340 VanDerWaalsContact C-N 3.33Å; L338-S340 PolarHBondContact O-N 3.11Å; L338-Y341 CarbonylContact O-C 3.51Å; L338-Y341 VanDerWaalsContact O-C 3.32Å; L338-Y341 PolarHBondContact O-N 2.93Å; L338-E345 HydrophobicContact CB-CB 4.21Å; L338-E345 HydrophobicContact CB-CG 4.17Å; L338-E345 HydrophobicContact CD2-CB 3.94Å; L338-E345 HydrophobicContact CD2-CG 4.03Å; L338-L348 HydrophobicContact CD2-CD1 3.73Å; L338-F376 HydrophobicContact CD2-CE1 4.43Å; L338-F376 HydrophobicContact CD2-CE2 3.98Å; L338-F376 HydrophobicContact CD2-CZ 3.76Å; L338-F376 HydrophobicContact CG-CZ 4.05Å; L338-I481 HydrophobicContact CD1-CD1 4.14Å; L338-I481 HydrophobicContact CD1-CG1 3.91Å; L338-I481 HydrophobicContact CD2-CD1 4.12Å; L338-I481 HydrophobicContact CD2-CG1 4.49Å; L338-F486 HydrophobicContact CD1-CD2 4.18Å; L338-F486 HydrophobicContact CD1-CE2 4.42Å
339	V	97.1	Very high	98	Very high	7 Å²	7	23.6 Å²	23.6	4%	0.042	11%	0.113	C	C	.	.	H	α-helix	trans	-68.8	-31.3	177.3	172.1	0	0	0	0	113	V335 Y337 F486 K488 V494 L511	V335-V339 WeakPolarHBondContact O-CB 3.26Å; V335-V339 WeakPolarHBondContact O-CG2 3.49Å; V335-V339 PolarHBondContact O-N 2.99Å; Y337-V339 VanDerWaalsContact C-N 3.29Å; Y337-V339 PolarHBondContact O-N 3.38Å; V339-F486 HydrophobicContact CG2-CB 3.41Å; V339-F486 VanDerWaalsContact CG2-CB 3.41Å; V339-K488 HydrophobicContact CG1-CB 4.23Å; V339-K488 HydrophobicContact CG1-CD 4.18Å; V339-K488 HydrophobicContact CG1-CG 3.18Å; V339-K488 WeakPolarHBondContact O-CE 3.42Å; V339-V494 HydrophobicContact CG1-CG2 4.2Å; V339-L511 HydrophobicContact CG1-CD2 4.1Å; V339-L511 HydrophobicContact CG2-CD1 4.02Å
340	S	96.4	Very high	98	Very high	26 Å²	26	26.5 Å²	26.5	18%	0.182	13%	0.127	C	C	.	.	H	α-helix	trans	-79.9	-25.8	180	-63.8	0	0	0	0	113.5	M336 Y337 L338	M336-S340 WeakPolarHBondContact O-CB 3.29Å; M336-S340 PolarHBondContact O-N 2.7Å; M336-S340 PolarHBondContact O-OG 2.85Å; Y337-S340 PolarHBondContact O-N 3.04Å; L338-S340 VanDerWaalsContact C-N 3.33Å; L338-S340 PolarHBondContact O-N 3.11Å
341	Y	97.1	Very high	98	Very high	69 Å²	69	27.5 Å²	27.5	27%	0.271	13%	0.131	S	C	.	.			trans	-129	68.2	-176.9	-60.1	-85.6	0	0	0	109.5	Y337 L338 E343 V344 E345 F432	Y337-Y341 AromaticContact CD1-CD2 3.97Å; Y337-Y341 HydrophobicContact CD1-CD2 3.97Å; Y337-Y341 AromaticContact CD1-CE2 3.68Å; Y337-Y341 HydrophobicContact CD1-CE2 3.68Å; Y337-Y341 HydrophobicContact CE1-CE2 4.23Å; Y337-Y341 WeakPolarHBondContact O-CB 3.39Å; Y337-Y341 WeakPolarHBondContact O-CD2 3.5Å; Y337-Y341 PolarHBondContact O-N 3.38Å; L338-Y341 CarbonylContact O-C 3.51Å; L338-Y341 VanDerWaalsContact O-C 3.32Å; L338-Y341 PolarHBondContact O-N 2.93Å; Y341-E343 VanDerWaalsContact C-OE2 3.3Å; Y341-E343 WeakPolarHBondContact CD1-OE1 3.42Å; Y341-E343 PolarHBondContact O-N 2.94Å; Y341-E343 VanDerWaalsContact O-N 3.16Å; Y341-V344 WeakPolarHBondContact O-CA 3.44Å; Y341-V344 WeakPolarHBondContact O-CB 3.32Å; Y341-V344 PolarHBondContact O-N 3.35Å; Y341-E345 PolarHBondContact O-N 3.4Å; Y341-E345 VanDerWaalsContact O-N 3.16Å; Y341-F432 AromaticContact CD2-CD1 3.79Å; Y341-F432 HydrophobicContact CD2-CD1 3.79Å; Y341-F432 HydrophobicContact CD2-CE1 4.39Å; Y341-F432 HydrophobicContact CD2-CG 4.43Å; Y341-F432 HydrophobicContact CE1-CB 4.34Å; Y341-F432 HydrophobicContact CE2-CB 3.9Å; Y341-F432 AromaticContact CE2-CD1 3.89Å; Y341-F432 HydrophobicContact CE2-CD1 3.89Å; Y341-F432 HydrophobicContact CE2-CG 4.09Å; Y341-F432 HydrophobicContact CG-CD1 4.15Å
342	P	96.4	Very high	98	Very high	68 Å²	68	27.3 Å²	27.3	44%	0.442	13%	0.13	S	C	.	.	H	α-helix	trans	-59.2	-28	-175.7	24.7	-35.3	0	0	0	113.1	V344 E345 E346	P342-V344 VanDerWaalsContact C-N 3.3Å; P342-V344 PolarHBondContact O-N 3.23Å; P342-E345 PolarHBondContact O-N 2.93Å; P342-E346 WeakPolarHBondContact O-CB 3.44Å; P342-E346 PolarHBondContact O-N 2.78Å
343	E	97.9	Very high	98	Very high	108 Å²	108	30.3 Å²	30.3	51%	0.505	14%	0.143	S	C	.	.	H	α-helix	trans	-64.9	-32.6	172.9	72.1	-70.8	171.8	0	0	112.9	Y341 R347	Y341-E343 VanDerWaalsContact C-OE2 3.3Å; Y341-E343 WeakPolarHBondContact CD1-OE1 3.42Å; Y341-E343 PolarHBondContact O-N 2.94Å; Y341-E343 VanDerWaalsContact O-N 3.16Å; E343-R347 VanDerWaalsContact O-CG 3.26Å; E343-R347 WeakPolarHBondContact O-CG 3.33Å; E343-R347 PolarHBondContact O-N 3.48Å
344	V	98.4	Very high	97.9	Very high	9 Å²	9	37.1 Å²	37.1	6%	0.055	18%	0.175	C	C	.	.	H	α-helix	trans	-74.5	-44.2	175	174	0	0	0	0	109.9	Y341 P342 E346 R347 L348 F376 P434	Y341-V344 WeakPolarHBondContact O-CA 3.44Å; Y341-V344 WeakPolarHBondContact O-CB 3.32Å; Y341-V344 PolarHBondContact O-N 3.35Å; P342-V344 VanDerWaalsContact C-N 3.3Å; P342-V344 PolarHBondContact O-N 3.23Å; V344-E346 VanDerWaalsContact C-N 3.28Å; V344-E346 PolarHBondContact O-N 2.96Å; V344-R347 PolarHBondContact O-N 3.48Å; V344-L348 HydrophobicContact CG1-CD1 3.92Å; V344-L348 HydrophobicContact CG1-CG 4.4Å; V344-L348 VanDerWaalsContact O-CG 3.27Å; V344-L348 WeakPolarHBondContact O-CG 3.48Å; V344-L348 PolarHBondContact O-N 2.88Å; V344-F376 HydrophobicContact CG1-CD2 3.79Å; V344-F376 HydrophobicContact CG1-CE2 4.16Å; V344-P434 HydrophobicContact CG1-CG 3.86Å; V344-P434 HydrophobicContact CG2-CG 4.42Å
345	E	98.4	Very high	97.8	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-55.8	-44.7	174.9	-173.2	-165.8	177.8	0	0	111.3	L338 Y341 P342 L348 F349 H485 F486 R516	L338-E345 HydrophobicContact CB-CB 4.21Å; L338-E345 HydrophobicContact CB-CG 4.17Å; L338-E345 HydrophobicContact CD2-CB 3.94Å; L338-E345 HydrophobicContact CD2-CG 4.03Å; Y341-E345 PolarHBondContact O-N 3.4Å; Y341-E345 VanDerWaalsContact O-N 3.16Å; P342-E345 PolarHBondContact O-N 2.93Å; E345-L348 PolarHBondContact O-N 2.8Å; E345-F349 PolarHBondContact O-N 2.9Å; E345-H485 VanDerWaalsContact CD-ND1 3.31Å; E345-H485 VanDerWaalsContact OE1-CA 3.26Å; E345-H485 WeakPolarHBondContact OE1-CA 3.35Å; E345-H485 IonicContact OE1-CG 3.64Å; E345-H485 IonicContact OE1-ND1 3.84Å; E345-H485 PolarHBondContact OE1-ND1 3.33Å; E345-H485 IonicContact OE2-CE1 2.86Å; E345-H485 PolarHBondContact OE2-CE1 3.45Å; E345-H485 VanDerWaalsContact OE2-CE1 3.27Å; E345-H485 IonicContact OE2-ND1 3.81Å; E345-H485 PolarHBondContact OE2-ND1 3.12Å; E345-F486 PolarHBondContact OE1-N 2.79Å; E345-R516 VanDerWaalsContact CD-NH2 3.33Å; E345-R516 IonicContact OE1-NH2 2.71Å; E345-R516 PolarHBondContact OE1-NH2 3.16Å
346	E	98.4	Very high	97.7	Very high	76 Å²	76	42.9 Å²	42.9	36%	0.355	20%	0.202	S	C	.	.	H	α-helix	trans	-66.6	-41.3	179.9	-171.6	54.3	-152.4	0	0	112.3	P342 V344 L348 F349 Q350 R516	P342-E346 WeakPolarHBondContact O-CB 3.44Å; P342-E346 PolarHBondContact O-N 2.78Å; V344-E346 VanDerWaalsContact C-N 3.28Å; V344-E346 PolarHBondContact O-N 2.96Å; E346-L348 VanDerWaalsContact C-N 3.32Å; E346-L348 PolarHBondContact O-N 3.06Å; E346-F349 PolarHBondContact O-N 2.82Å; E346-Q350 WeakPolarHBondContact O-CG 3.16Å; E346-Q350 PolarHBondContact O-N 3.45Å; E346-Q350 PolarHBondContact OE1-NE2 2.95Å; E346-R516 IonicContact OE2-CZ 3.15Å; E346-R516 IonicContact OE2-NH1 2.63Å; E346-R516 PolarHBondContact OE2-NH1 3.04Å; E346-R516 IonicContact OE2-NH2 2.63Å
347	R	98.2	Very high	97.6	Very high	103 Å²	103	43.9 Å²	43.9	39%	0.389	21%	0.213	S	C	.	.	H	α-helix	trans	-61.5	-40.2	174.5	-72.3	171.5	59.7	-163.9	-5.4	112.4	E343 V344 Q350 E351 L372 D435	E343-R347 VanDerWaalsContact O-CG 3.26Å; E343-R347 WeakPolarHBondContact O-CG 3.33Å; E343-R347 PolarHBondContact O-N 3.48Å; V344-R347 PolarHBondContact O-N 3.48Å; R347-Q350 PolarHBondContact O-N 2.89Å; R347-E351 PolarHBondContact O-N 3.19Å; R347-L372 HydrophobicContact CB-CD2 3.7Å; R347-D435 IonicContact CZ-OD1 2.88Å; R347-D435 IonicContact CZ-OD2 3.8Å; R347-D435 IonicContact NH1-OD1 3.27Å; R347-D435 PolarHBondContact NH1-OD1 3.08Å; R347-D435 VanDerWaalsContact NH1-OD1 3.11Å; R347-D435 IonicContact NH1-OD2 3.62Å; R347-D435 PolarHBondContact NH1-OD2 3.08Å; R347-D435 IonicContact NH2-OD1 2.67Å; R347-D435 PolarHBondContact NH2-OD1 2.98Å; R347-D435 IonicContact NH2-OD2 3.07Å; R347-D435 PolarHBondContact NH2-OD2 3.46Å
348	L	98.6	Very high	97.5	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-64.2	-42.4	175.8	-69.7	166.5	0	0	0	111.4	L338 V344 E345 E346 E351 I352 L372 L373 F376 I481	L338-L348 HydrophobicContact CD2-CD1 3.73Å; V344-L348 HydrophobicContact CG1-CD1 3.92Å; V344-L348 HydrophobicContact CG1-CG 4.4Å; V344-L348 VanDerWaalsContact O-CG 3.27Å; V344-L348 WeakPolarHBondContact O-CG 3.48Å; V344-L348 PolarHBondContact O-N 2.88Å; E345-L348 PolarHBondContact O-N 2.8Å; E346-L348 VanDerWaalsContact C-N 3.32Å; E346-L348 PolarHBondContact O-N 3.06Å; L348-E351 PolarHBondContact O-N 3.07Å; L348-I352 WeakPolarHBondContact O-CG1 3.5Å; L348-I352 PolarHBondContact O-N 3.29Å; L348-I352 VanDerWaalsContact O-N 3.07Å; L348-L372 HydrophobicContact CD2-CB 4.36Å; L348-L372 HydrophobicContact CD2-CD2 4.15Å; L348-L372 HydrophobicContact CD2-CG 3.79Å; L348-L372 HydrophobicContact CG-CD2 4.45Å; L348-L373 VanDerWaalsContact CD2-CA 3.48Å; L348-L373 HydrophobicContact CD2-CB 4.02Å; L348-L373 HydrophobicContact CD2-CD1 4.12Å; L348-F376 HydrophobicContact CD1-CB 4.18Å; L348-F376 HydrophobicContact CD1-CD1 4.22Å; L348-F376 HydrophobicContact CD1-CD2 3.76Å; L348-F376 HydrophobicContact CD1-CE2 4.16Å; L348-F376 HydrophobicContact CD1-CG 3.79Å; L348-F376 HydrophobicContact CD2-CB 4.02Å; L348-F376 HydrophobicContact CD2-CG 4.49Å; L348-I481 HydrophobicContact CB-CD1 4.28Å; L348-I481 HydrophobicContact CB-CG2 4.05Å; L348-I481 HydrophobicContact CD1-CD1 4.04Å
349	F	98.6	Very high	97.2	Very high	14 Å²	14	52.2 Å²	52.2	6%	0.061	26%	0.257	C	S	.	.	H	α-helix	trans	-62.1	-44	175.2	173	-110.6	0	0	0	112	E345 E346 I352 K353 L358 I481 Q482 R516	E345-F349 PolarHBondContact O-N 2.9Å; E346-F349 PolarHBondContact O-N 2.82Å; F349-I352 PolarHBondContact O-N 3.31Å; F349-K353 HydrophobicContact CE1-CD 4.3Å; F349-K353 HydrophobicContact CZ-CD 4.35Å; F349-K353 WeakPolarHBondContact O-CB 3.4Å; F349-K353 PolarHBondContact O-N 3.45Å; F349-L358 HydrophobicContact CE2-CD2 3.89Å; F349-L358 HydrophobicContact CZ-CD1 4.48Å; F349-L358 HydrophobicContact CZ-CD2 4.2Å; F349-I481 HydrophobicContact CB-CG2 4.12Å; F349-Q482 WeakPolarHBondContact CE2-O 2.96Å; F349-R516 HydrophobicContact CE2-CB 4.25Å; F349-R516 HydrophobicContact CE2-CG 4.35Å; F349-R516 VanDerWaalsContact CG-NH1 3.29Å; F349-R516 HydrophobicContact CZ-CB 4.38Å
350	Q	98.2	Very high	97	Very high	64 Å²	64	57 Å²	57	30%	0.299	28%	0.275	S	S	.	.	H	α-helix	trans	-63.2	-43	177.2	-66	-55.2	-34	0	0	112	E346 R347 I352 K353 E354	E346-Q350 WeakPolarHBondContact O-CG 3.16Å; E346-Q350 PolarHBondContact O-N 3.45Å; E346-Q350 PolarHBondContact OE1-NE2 2.95Å; R347-Q350 PolarHBondContact O-N 2.89Å; Q350-I352 VanDerWaalsContact C-N 3.34Å; Q350-I352 PolarHBondContact O-N 2.76Å; Q350-K353 PolarHBondContact O-N 3.26Å; Q350-E354 WeakPolarHBondContact O-CB 3.45Å; Q350-E354 VanDerWaalsContact O-CG 3.31Å; Q350-E354 WeakPolarHBondContact O-CG 3.15Å; Q350-E354 PolarHBondContact O-N 3.22Å
351	E	98.1	Very high	96.9	Very high	21 Å²	21	57.7 Å²	57.7	10%	0.098	28%	0.278	C	S	.	.	H	α-helix	trans	-56.1	-49	174.2	-177.3	-175.6	-117.2	0	0	111.3	R347 L348 K353 E354 Q355 L370 P371 L372 L373	R347-E351 PolarHBondContact O-N 3.19Å; L348-E351 PolarHBondContact O-N 3.07Å; E351-K353 PolarHBondContact O-N 3.4Å; E351-E354 PolarHBondContact O-N 2.7Å; E351-Q355 HydrophobicContact CG-CG 4.31Å; E351-Q355 WeakPolarHBondContact O-CB 3.25Å; E351-Q355 VanDerWaalsContact O-CG 3.24Å; E351-Q355 WeakPolarHBondContact O-CG 3.28Å; E351-Q355 PolarHBondContact O-N 3.07Å; E351-L370 HydrophobicContact CG-CD2 3.8Å; E351-L370 WeakPolarHBondContact OE2-CA 3.39Å; E351-P371 WeakPolarHBondContact OE1-CD 3.39Å; E351-P371 WeakPolarHBondContact OE1-CG 3.3Å; E351-L372 VanDerWaalsContact CD-CB 3.47Å; E351-L372 WeakPolarHBondContact OE1-CA 3.38Å; E351-L372 WeakPolarHBondContact OE1-CB 3.28Å; E351-L372 PolarHBondContact OE1-N 3.31Å; E351-L372 WeakPolarHBondContact OE2-CB 3.4Å; E351-L372 PolarHBondContact OE2-N 3.03Å; E351-L373 PolarHBondContact OE2-N 2.78Å
352	I	98.3	Very high	96.9	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-62.7	-44	178.9	-67.7	163.9	0	0	0	110.9	L348 F349 Q350 E354 I356 G357 P362 L370 I481 Q482	L348-I352 WeakPolarHBondContact O-CG1 3.5Å; L348-I352 PolarHBondContact O-N 3.29Å; L348-I352 VanDerWaalsContact O-N 3.07Å; F349-I352 PolarHBondContact O-N 3.31Å; Q350-I352 VanDerWaalsContact C-N 3.34Å; Q350-I352 PolarHBondContact O-N 2.76Å; I352-E354 VanDerWaalsContact C-N 3.34Å; I352-E354 PolarHBondContact O-N 2.83Å; I352-I356 HydrophobicContact CG2-CD1 4.4Å; I352-I356 WeakPolarHBondContact O-CA 3.46Å; I352-I356 VanDerWaalsContact O-CB 3.3Å; I352-I356 WeakPolarHBondContact O-CB 3.29Å; I352-I356 PolarHBondContact O-N 2.82Å; I352-G357 PolarHBondContact O-N 3.01Å; I352-P362 HydrophobicContact CG2-CG 4.48Å; I352-L370 HydrophobicContact CG1-CD1 4Å; I352-L370 HydrophobicContact CG1-CD2 4.07Å; I352-I481 HydrophobicContact CD1-CB 3.91Å; I352-I481 HydrophobicContact CD1-CG2 3.76Å; I352-Q482 HydrophobicContact CG2-CB 3.87Å; I352-Q482 HydrophobicContact CG2-CG 3.84Å
353	K	97.5	Very high	96.8	Very high	64 Å²	64	52.6 Å²	52.6	28%	0.278	25%	0.252	S	S	.	.	H	α-helix	trans	-61	-43	179.1	-176.8	-178.6	-179	179.8	0	111.7	F349 Q350 E351 G357 L358 D519	F349-K353 HydrophobicContact CE1-CD 4.3Å; F349-K353 HydrophobicContact CZ-CD 4.35Å; F349-K353 WeakPolarHBondContact O-CB 3.4Å; F349-K353 PolarHBondContact O-N 3.45Å; Q350-K353 PolarHBondContact O-N 3.26Å; E351-K353 PolarHBondContact O-N 3.4Å; K353-G357 WeakPolarHBondContact O-CA 3.33Å; K353-G357 PolarHBondContact O-N 2.94Å; K353-L358 HydrophobicContact CB-CD2 4.43Å; K353-L358 HydrophobicContact CG-CD1 4.47Å; K353-L358 HydrophobicContact CG-CD2 4.34Å; K353-L358 HydrophobicContact CG-CG 4.26Å; K353-D519 IonicContact NZ-OD2 3.09Å; K353-D519 PolarHBondContact NZ-OD2 3.25Å
354	E	96.8	Very high	96.7	Very high	143 Å²	143	48.6 Å²	48.6	67%	0.668	24%	0.235	S	C	*	.	H	α-helix	trans	-72.8	-42	-178.3	-71.9	175.2	-178.4	0	0	112.7	Q350 E351 I352	Q350-E354 WeakPolarHBondContact O-CB 3.45Å; Q350-E354 VanDerWaalsContact O-CG 3.31Å; Q350-E354 WeakPolarHBondContact O-CG 3.15Å; Q350-E354 PolarHBondContact O-N 3.22Å; E351-E354 PolarHBondContact O-N 2.7Å; I352-E354 VanDerWaalsContact C-N 3.34Å; I352-E354 PolarHBondContact O-N 2.83Å
355	Q	97.1	Very high	96.6	Very high	104 Å²	104	52 Å²	52	49%	0.486	26%	0.263	S	S	.	.	H	α-helix	trans	-87.9	-28.7	-172.4	-59.5	-60.9	-33.2	0	0	113.3	E351 N369 L370	E351-Q355 HydrophobicContact CG-CG 4.31Å; E351-Q355 WeakPolarHBondContact O-CB 3.25Å; E351-Q355 VanDerWaalsContact O-CG 3.24Å; E351-Q355 WeakPolarHBondContact O-CG 3.28Å; E351-Q355 PolarHBondContact O-N 3.07Å; Q355-N369 HydrophobicContact CB-CB 4.44Å; Q355-N369 WeakPolarHBondContact CG-O 3.26Å; Q355-L370 HydrophobicContact CB-CD2 4Å; Q355-L370 HydrophobicContact CG-CD2 4.36Å
356	I	96.4	Very high	96.5	Very high	18 Å²	18	52.4 Å²	52.4	9%	0.092	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.2	-36.8	-174.3	-59.5	179.8	0	0	0	111.8	I352 R360 P362 D366 L370	I352-I356 HydrophobicContact CG2-CD1 4.4Å; I352-I356 WeakPolarHBondContact O-CA 3.46Å; I352-I356 VanDerWaalsContact O-CB 3.3Å; I352-I356 WeakPolarHBondContact O-CB 3.29Å; I352-I356 PolarHBondContact O-N 2.82Å; I356-R360 HydrophobicContact CG2-CG 4.24Å; I356-P362 HydrophobicContact CD1-CB 3.93Å; I356-P362 HydrophobicContact CD1-CG 4.05Å; I356-P362 HydrophobicContact CG2-CG 4.5Å; I356-D366 HydrophobicContact CD1-CB 3.58Å; I356-D366 HydrophobicContact CG1-CB 4.12Å; I356-L370 HydrophobicContact CD1-CD1 3.79Å; I356-L370 HydrophobicContact CD1-CD2 4.17Å; I356-L370 HydrophobicContact CD1-CG 4.24Å; I356-L370 HydrophobicContact CG1-CD2 4.44Å
357	G	95.6	Very high	96.4	Very high	21 Å²	21	51.1 Å²	51.1	22%	0.216	26%	0.257	C	S	.	.			trans	85.8	-173.9	-169.4	0	0	0	0	0	113.1	I352 K353 Q482	I352-G357 PolarHBondContact O-N 3.01Å; K353-G357 WeakPolarHBondContact O-CA 3.33Å; K353-G357 PolarHBondContact O-N 2.94Å; G357-Q482 PolarHBondContact O-NE2 2.74Å
358	L	95.1	Very high	96.2	Very high	31 Å²	31	53 Å²	53	16%	0.162	28%	0.275	C	S	.	.	S	Bend	trans	-113.3	2.5	-178	-56	-179.8	0	0	0	113.4	F349 K353 Q482 K518	F349-L358 HydrophobicContact CE2-CD2 3.89Å; F349-L358 HydrophobicContact CZ-CD1 4.48Å; F349-L358 HydrophobicContact CZ-CD2 4.2Å; K353-L358 HydrophobicContact CB-CD2 4.43Å; K353-L358 HydrophobicContact CG-CD1 4.47Å; K353-L358 HydrophobicContact CG-CD2 4.34Å; K353-L358 HydrophobicContact CG-CG 4.26Å; L358-Q482 HydrophobicContact CD2-CG 3.96Å; L358-K518 VanDerWaalsContact O-CE 3.27Å; L358-K518 WeakPolarHBondContact O-CE 3.45Å; L358-K518 PolarHBondContact O-NZ 3.26Å
359	D	92.3	Very high	96.1	Very high	150 Å²	150	56.6 Å²	56.6	80%	0.802	30%	0.295	S	S	*	.	S	Bend	trans	-89.2	-22.4	-174.8	-66	-39.3	0	0	0	113.7
360	R	93.1	Very high	96	Very high	109 Å²	109	56 Å²	56	41%	0.411	29%	0.292	S	S	.	.	S	Bend	trans	-129.7	153.7	177.2	69.1	174.4	-177.6	88.1	-5	111.7	I356 D366 Q482	I356-R360 HydrophobicContact CG2-CG 4.24Å; R360-D366 IonicContact CZ-OD1 3.15Å; R360-D366 IonicContact CZ-OD2 2.71Å; R360-D366 IonicContact NH1-OD1 2.78Å; R360-D366 PolarHBondContact NH1-OD1 2.94Å; R360-D366 IonicContact NH1-OD2 3.11Å; R360-D366 PolarHBondContact NH1-OD2 3.49Å; R360-D366 IonicContact NH2-OD1 3.25Å; R360-D366 PolarHBondContact NH2-OD1 3.3Å; R360-D366 IonicContact NH2-OD2 3.35Å; R360-D366 PolarHBondContact NH2-OD2 3.24Å; R360-Q482 PolarHBondContact O-NE2 3.35Å
361	T	93.9	Very high	96	Very high	39 Å²	39	53.7 Å²	53.7	24%	0.239	28%	0.283	C	S	.	.			trans	-71.9	139.1	172.6	-57.7	0	0	0	0	109.9	E173 I479	E173-T361 PolarHBondContact OE1-OG1 3.39Å; T361-I479 HydrophobicContact CG2-CB 4.47Å; T361-I479 HydrophobicContact CG2-CD1 3.71Å; T361-I479 HydrophobicContact CG2-CG1 3.59Å; T361-I479 HydrophobicContact CG2-CG2 4.15Å
362	P	96.9	Very high	96	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.282	C	S	.	.			trans	-56.4	149.1	172.6	-29	35.8	0	0	0	112.4	I352 I356 L475 A478 I479 Q482	I352-P362 HydrophobicContact CG2-CG 4.48Å; I356-P362 HydrophobicContact CD1-CB 3.93Å; I356-P362 HydrophobicContact CD1-CG 4.05Å; I356-P362 HydrophobicContact CG2-CG 4.5Å; P362-L475 WeakPolarHBondContact O-CD1 3.35Å; P362-A478 HydrophobicContact CB-CB 3.7Å; P362-A478 HydrophobicContact CG-CB 4Å; P362-I479 HydrophobicContact CB-CG1 4.41Å; P362-I479 HydrophobicContact CG-CG1 4.47Å; P362-Q482 HydrophobicContact CG-CB 4.49Å
363	T	96.1	Very high	96.1	Very high	30 Å²	30	53.4 Å²	53.4	18%	0.184	28%	0.282	C	S	.	.			trans	-126.9	166.5	-178.8	63	0	0	0	0	110.4	E165 A365 D366	E165-T363 WeakPolarHBondContact OE1-CA 3.24Å; E165-T363 WeakPolarHBondContact OE1-CB 3.31Å; T363-A365 PolarHBondContact O-N 3.08Å; T363-D366 PolarHBondContact N-OD2 2.68Å; T363-D366 WeakPolarHBondContact O-CB 3.28Å; T363-D366 PolarHBondContact O-N 2.62Å; T363-D366 VanDerWaalsContact O-N 3.1Å; T363-D366 PolarHBondContact OG1-OD2 2.97Å
364	L	95.3	Very high	96.1	Very high	25 Å²	25	51.3 Å²	51.3	13%	0.131	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-63.2	-24.1	174.6	-69	-177.6	0	0	0	112.7	E165 D366 R367 N471 F474 L475	E165-L364 HydrophobicContact CB-CD1 3.88Å; E165-L364 HydrophobicContact CB-CG 4.18Å; E165-L364 HydrophobicContact CG-CD1 4.33Å; E165-L364 HydrophobicContact CG-CG 4.08Å; E165-L364 PolarHBondContact OE1-N 3.45Å; L364-D366 PolarHBondContact O-N 3.28Å; L364-R367 VanDerWaalsContact O-CB 3.31Å; L364-R367 WeakPolarHBondContact O-CB 3.45Å; L364-R367 PolarHBondContact O-N 3.1Å; L364-N471 HydrophobicContact CD1-CB 4.34Å; L364-N471 HydrophobicContact CD2-CB 3.82Å; L364-F474 HydrophobicContact CD2-CD1 4.18Å; L364-L475 HydrophobicContact CD2-CB 4.13Å; L364-L475 HydrophobicContact CD2-CD1 4.41Å; L364-L475 HydrophobicContact CD2-CD2 4.08Å; L364-L475 HydrophobicContact CD2-CG 4.47Å; L364-L475 HydrophobicContact CG-CD2 4.17Å
365	A	95.2	Very high	96.2	Very high	79 Å²	79	44.5 Å²	44.5	65%	0.653	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-65.9	-25.9	175.9	0	0	0	0	0	112.5	T363 R367	T363-A365 PolarHBondContact O-N 3.08Å; A365-R367 VanDerWaalsContact C-N 3.26Å; A365-R367 PolarHBondContact O-N 3.43Å
366	D	96.6	Very high	96.3	Very high	10 Å²	10	39.6 Å²	39.6	5%	0.053	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-77.9	-11	-178.5	-59.1	-52.3	0	0	0	113.3	I356 R360 T363 L364 N368 N369	I356-D366 HydrophobicContact CD1-CB 3.58Å; I356-D366 HydrophobicContact CG1-CB 4.12Å; R360-D366 IonicContact CZ-OD1 3.15Å; R360-D366 IonicContact CZ-OD2 2.71Å; R360-D366 IonicContact NH1-OD1 2.78Å; R360-D366 PolarHBondContact NH1-OD1 2.94Å; R360-D366 IonicContact NH1-OD2 3.11Å; R360-D366 PolarHBondContact NH1-OD2 3.49Å; R360-D366 IonicContact NH2-OD1 3.25Å; R360-D366 PolarHBondContact NH2-OD1 3.3Å; R360-D366 IonicContact NH2-OD2 3.35Å; R360-D366 PolarHBondContact NH2-OD2 3.24Å; T363-D366 PolarHBondContact N-OD2 2.68Å; T363-D366 WeakPolarHBondContact O-CB 3.28Å; T363-D366 PolarHBondContact O-N 2.62Å; T363-D366 VanDerWaalsContact O-N 3.1Å; T363-D366 PolarHBondContact OG1-OD2 2.97Å; L364-D366 PolarHBondContact O-N 3.28Å; D366-N368 VanDerWaalsContact C-N 3.29Å; D366-N368 PolarHBondContact O-N 3.48Å; D366-N368 VanDerWaalsContact O-N 3.16Å; D366-N369 WeakPolarHBondContact O-CA 3.4Å; D366-N369 WeakPolarHBondContact O-CB 3.48Å; D366-N369 PolarHBondContact O-N 3.13Å
367	R	95.8	Very high	96.4	Very high	48 Å²	48	38.7 Å²	38.7	18%	0.181	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-52.5	-41.8	-172.6	-173.2	178.7	-176.6	164.7	12.1	114.7	L364 A365 N369 L370 E374 N471 F474	L364-R367 VanDerWaalsContact O-CB 3.31Å; L364-R367 WeakPolarHBondContact O-CB 3.45Å; L364-R367 PolarHBondContact O-N 3.1Å; A365-R367 VanDerWaalsContact C-N 3.26Å; A365-R367 PolarHBondContact O-N 3.43Å; R367-N369 PolarHBondContact O-N 3.49Å; R367-L370 PolarHBondContact O-N 2.97Å; R367-E374 WeakPolarHBondContact CD-OE1 3.37Å; R367-E374 HydrophobicContact CG-CG 4.27Å; R367-E374 VanDerWaalsContact CG-OE1 3.23Å; R367-E374 WeakPolarHBondContact CG-OE1 3.09Å; R367-E374 IonicContact CZ-OE1 3.64Å; R367-E374 VanDerWaalsContact CZ-OE1 3.28Å; R367-E374 IonicContact CZ-OE2 3.13Å; R367-E374 IonicContact NE-OE1 3.53Å; R367-E374 PolarHBondContact NE-OE1 2.97Å; R367-E374 IonicContact NE-OE2 3.61Å; R367-E374 PolarHBondContact NE-OE2 2.73Å; R367-E374 IonicContact NH2-OE1 3.67Å; R367-E374 PolarHBondContact NH2-OE1 2.9Å; R367-E374 VanDerWaalsContact NH2-OE1 3.12Å; R367-E374 IonicContact NH2-OE2 2.86Å; R367-E374 PolarHBondContact NH2-OE2 2.81Å; R367-N471 PolarHBondContact NH1-OD1 2.97Å; R367-F474 HydrophobicContact CB-CD1 4.31Å; R367-F474 HydrophobicContact CB-CE1 3.81Å; R367-F474 HydrophobicContact CB-CE2 4.07Å; R367-F474 HydrophobicContact CB-CZ 3.7Å; R367-F474 HydrophobicContact CG-CD1 4.28Å; R367-F474 HydrophobicContact CG-CD2 3.98Å; R367-F474 HydrophobicContact CG-CE1 4.19Å; R367-F474 HydrophobicContact CG-CE2 3.85Å; R367-F474 HydrophobicContact CG-CG 4.2Å; R367-F474 HydrophobicContact CG-CZ 3.99Å
368	N	93.9	Very high	96.5	Very high	142 Å²	142	38.1 Å²	38.1	76%	0.759	21%	0.206	S	C	*	.	G	3₁₀ helix	trans	-72.8	-14.1	-179.1	-66.4	-35.5	0	0	0	113.2	D366	D366-N368 VanDerWaalsContact C-N 3.29Å; D366-N368 PolarHBondContact O-N 3.48Å; D366-N368 VanDerWaalsContact O-N 3.16Å
369	N	96.4	Very high	96.7	Very high	77 Å²	77	36.7 Å²	36.7	41%	0.412	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-94.2	-3.1	179.2	-55	-30.4	0	0	0	112.5	Q355 D366 R367 P371	Q355-N369 HydrophobicContact CB-CB 4.44Å; Q355-N369 WeakPolarHBondContact CG-O 3.26Å; D366-N369 WeakPolarHBondContact O-CA 3.4Å; D366-N369 WeakPolarHBondContact O-CB 3.48Å; D366-N369 PolarHBondContact O-N 3.13Å; R367-N369 PolarHBondContact O-N 3.49Å; N369-P371 VanDerWaalsContact O-CD 3.23Å; N369-P371 WeakPolarHBondContact O-CD 3.08Å
370	L	98.1	Very high	97	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.16	C	C	.	.			trans	-117.9	63.2	-178.8	-59.1	-176.8	0	0	0	111.9	E351 I352 Q355 I356 R367 L372 L373 E374 F474 A478	E351-L370 HydrophobicContact CG-CD2 3.8Å; E351-L370 WeakPolarHBondContact OE2-CA 3.39Å; I352-L370 HydrophobicContact CG1-CD1 4Å; I352-L370 HydrophobicContact CG1-CD2 4.07Å; Q355-L370 HydrophobicContact CB-CD2 4Å; Q355-L370 HydrophobicContact CG-CD2 4.36Å; I356-L370 HydrophobicContact CD1-CD1 3.79Å; I356-L370 HydrophobicContact CD1-CD2 4.17Å; I356-L370 HydrophobicContact CD1-CG 4.24Å; I356-L370 HydrophobicContact CG1-CD2 4.44Å; R367-L370 PolarHBondContact O-N 2.97Å; L370-L372 VanDerWaalsContact C-N 3.33Å; L370-L372 PolarHBondContact O-N 3.22Å; L370-L373 HydrophobicContact CB-CB 3.95Å; L370-L373 HydrophobicContact CD1-CD2 3.8Å; L370-L373 PolarHBondContact O-N 3.23Å; L370-E374 PolarHBondContact O-N 3.42Å; L370-E374 VanDerWaalsContact O-N 3.08Å; L370-F474 HydrophobicContact CB-CE2 4.25Å; L370-F474 HydrophobicContact CD1-CE2 3.97Å; L370-F474 HydrophobicContact CD1-CZ 3.87Å; L370-A478 HydrophobicContact CD1-CB 4.41Å
371	P	97.9	Very high	97.3	Very high	17 Å²	17	24.3 Å²	24.3	11%	0.11	14%	0.14	C	C	.	.	H	α-helix	trans	-62.3	-33.8	-177	28	-38	0	0	0	113.8	E351 N369 S375 L438 T443 V445	E351-P371 WeakPolarHBondContact OE1-CD 3.39Å; E351-P371 WeakPolarHBondContact OE1-CG 3.3Å; N369-P371 VanDerWaalsContact O-CD 3.23Å; N369-P371 WeakPolarHBondContact O-CD 3.08Å; P371-S375 VanDerWaalsContact O-CB 3.27Å; P371-S375 WeakPolarHBondContact O-CB 3.33Å; P371-S375 PolarHBondContact O-N 2.86Å; P371-S375 PolarHBondContact O-OG 3.02Å; P371-L438 HydrophobicContact CB-CD2 3.99Å; P371-T443 WeakPolarHBondContact CG-O 3.07Å; P371-V445 HydrophobicContact CB-CG2 4.07Å; P371-V445 WeakPolarHBondContact O-CG2 3.39Å
372	L	98.6	Very high	97.5	Very high	14 Å²	14	22.5 Å²	22.5	7%	0.073	13%	0.129	C	C	.	.	H	α-helix	trans	-69.5	-41.5	176.6	-177.7	64.5	0	0	0	110.9	R347 L348 E351 L370 S375 F376 P434 L438	R347-L372 HydrophobicContact CB-CD2 3.7Å; L348-L372 HydrophobicContact CD2-CB 4.36Å; L348-L372 HydrophobicContact CD2-CD2 4.15Å; L348-L372 HydrophobicContact CD2-CG 3.79Å; L348-L372 HydrophobicContact CG-CD2 4.45Å; E351-L372 VanDerWaalsContact CD-CB 3.47Å; E351-L372 WeakPolarHBondContact OE1-CA 3.38Å; E351-L372 WeakPolarHBondContact OE1-CB 3.28Å; E351-L372 PolarHBondContact OE1-N 3.31Å; E351-L372 WeakPolarHBondContact OE2-CB 3.4Å; E351-L372 PolarHBondContact OE2-N 3.03Å; L370-L372 VanDerWaalsContact C-N 3.33Å; L370-L372 PolarHBondContact O-N 3.22Å; L372-S375 PolarHBondContact O-N 2.95Å; L372-F376 WeakPolarHBondContact O-CB 3.27Å; L372-F376 PolarHBondContact O-N 3.16Å; L372-P434 HydrophobicContact CD1-CB 4.27Å; L372-L438 HydrophobicContact CD1-CD1 4.1Å
373	L	98.7	Very high	97.6	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-61.5	-44.9	174.1	-179.3	57.9	0	0	0	112.3	L348 E351 L370 S375 F376 I377 F474 L477 A478 I481	L348-L373 VanDerWaalsContact CD2-CA 3.48Å; L348-L373 HydrophobicContact CD2-CB 4.02Å; L348-L373 HydrophobicContact CD2-CD1 4.12Å; E351-L373 PolarHBondContact OE2-N 2.78Å; L370-L373 HydrophobicContact CB-CB 3.95Å; L370-L373 HydrophobicContact CD1-CD2 3.8Å; L370-L373 PolarHBondContact O-N 3.23Å; L373-S375 VanDerWaalsContact C-N 3.3Å; L373-S375 PolarHBondContact O-N 3.13Å; L373-F376 HydrophobicContact CD1-CD1 4.38Å; L373-F376 WeakPolarHBondContact O-CB 3.25Å; L373-F376 PolarHBondContact O-N 3.04Å; L373-I377 HydrophobicContact CD1-CD1 4.35Å; L373-I377 HydrophobicContact CG-CD1 4.22Å; L373-I377 VanDerWaalsContact O-CG1 3.32Å; L373-I377 WeakPolarHBondContact O-CG1 3.43Å; L373-I377 PolarHBondContact O-N 3.07Å; L373-F474 HydrophobicContact CD2-CD2 3.83Å; L373-F474 HydrophobicContact CD2-CE2 3.62Å; L373-F474 HydrophobicContact CD2-CZ 4.41Å; L373-F474 HydrophobicContact CG-CD2 4.2Å; L373-F474 HydrophobicContact CG-CE2 4.24Å; L373-L477 HydrophobicContact CD1-CB 3.99Å; L373-L477 HydrophobicContact CD1-CD1 4.5Å; L373-A478 HydrophobicContact CD2-CB 3.71Å; L373-I481 HydrophobicContact CD1-CD1 4.07Å
374	E	98.3	Very high	97.7	Very high	21 Å²	21	22.9 Å²	22.9	10%	0.098	13%	0.129	C	C	.	.	H	α-helix	trans	-61.5	-40.6	174.6	-77.2	-64.3	141.5	0	0	112.1	R367 L370 I377 L378 V445 F474	R367-E374 WeakPolarHBondContact CD-OE1 3.37Å; R367-E374 HydrophobicContact CG-CG 4.27Å; R367-E374 VanDerWaalsContact CG-OE1 3.23Å; R367-E374 WeakPolarHBondContact CG-OE1 3.09Å; R367-E374 IonicContact CZ-OE1 3.64Å; R367-E374 VanDerWaalsContact CZ-OE1 3.28Å; R367-E374 IonicContact CZ-OE2 3.13Å; R367-E374 IonicContact NE-OE1 3.53Å; R367-E374 PolarHBondContact NE-OE1 2.97Å; R367-E374 IonicContact NE-OE2 3.61Å; R367-E374 PolarHBondContact NE-OE2 2.73Å; R367-E374 IonicContact NH2-OE1 3.67Å; R367-E374 PolarHBondContact NH2-OE1 2.9Å; R367-E374 VanDerWaalsContact NH2-OE1 3.12Å; R367-E374 IonicContact NH2-OE2 2.86Å; R367-E374 PolarHBondContact NH2-OE2 2.81Å; L370-E374 PolarHBondContact O-N 3.42Å; L370-E374 VanDerWaalsContact O-N 3.08Å; E374-I377 PolarHBondContact O-N 3.41Å; E374-L378 WeakPolarHBondContact O-CG 3.34Å; E374-L378 PolarHBondContact O-N 2.96Å; E374-V445 HydrophobicContact CB-CG2 3.61Å; E374-V445 HydrophobicContact CG-CG2 4.5Å; E374-F474 WeakPolarHBondContact OE1-CD2 3.36Å
375	S	98.5	Very high	97.9	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-66.1	-38.1	176.8	-62	0	0	0	0	112.3	P371 L372 L373 L378 E379 P434 L438	P371-S375 VanDerWaalsContact O-CB 3.27Å; P371-S375 WeakPolarHBondContact O-CB 3.33Å; P371-S375 PolarHBondContact O-N 2.86Å; P371-S375 PolarHBondContact O-OG 3.02Å; L372-S375 PolarHBondContact O-N 2.95Å; L373-S375 VanDerWaalsContact C-N 3.3Å; L373-S375 PolarHBondContact O-N 3.13Å; S375-L378 PolarHBondContact O-N 3.22Å; S375-E379 PolarHBondContact O-N 2.73Å; S375-P434 WeakPolarHBondContact CB-O 3.48Å; S375-L438 VanDerWaalsContact OG-CD2 3.27Å; S375-L438 WeakPolarHBondContact OG-CD2 3.46Å
376	F	98.8	Very high	98	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-60.8	-43.5	171.5	170.4	-92.6	0	0	0	111.7	A334 L338 V344 L348 L372 L373 E379 L380 F432 P434 L477	A334-F376 HydrophobicContact CB-CE1 4.14Å; A334-F376 HydrophobicContact CB-CZ 4.34Å; L338-F376 HydrophobicContact CD2-CE1 4.43Å; L338-F376 HydrophobicContact CD2-CE2 3.98Å; L338-F376 HydrophobicContact CD2-CZ 3.76Å; L338-F376 HydrophobicContact CG-CZ 4.05Å; V344-F376 HydrophobicContact CG1-CD2 3.79Å; V344-F376 HydrophobicContact CG1-CE2 4.16Å; L348-F376 HydrophobicContact CD1-CB 4.18Å; L348-F376 HydrophobicContact CD1-CD1 4.22Å; L348-F376 HydrophobicContact CD1-CD2 3.76Å; L348-F376 HydrophobicContact CD1-CE2 4.16Å; L348-F376 HydrophobicContact CD1-CG 3.79Å; L348-F376 HydrophobicContact CD2-CB 4.02Å; L348-F376 HydrophobicContact CD2-CG 4.49Å; L372-F376 WeakPolarHBondContact O-CB 3.27Å; L372-F376 PolarHBondContact O-N 3.16Å; L373-F376 HydrophobicContact CD1-CD1 4.38Å; L373-F376 WeakPolarHBondContact O-CB 3.25Å; L373-F376 PolarHBondContact O-N 3.04Å; F376-E379 PolarHBondContact O-N 3.48Å; F376-L380 VanDerWaalsContact O-CB 3.25Å; F376-L380 WeakPolarHBondContact O-CB 3.29Å; F376-L380 PolarHBondContact O-N 3.47Å; F376-F432 AromaticContact CD2-CE1 3.91Å; F376-F432 HydrophobicContact CD2-CE1 3.91Å; F376-F432 AromaticContact CD2-CZ 3.6Å; F376-F432 HydrophobicContact CD2-CZ 3.6Å; F376-F432 AromaticContact CE2-CE1 3.79Å; F376-F432 HydrophobicContact CE2-CE1 3.79Å; F376-F432 AromaticContact CE2-CZ 3.5Å; F376-F432 HydrophobicContact CE2-CZ 3.5Å; F376-F432 HydrophobicContact CZ-CZ 4.39Å; F376-P434 HydrophobicContact CB-CB 4.29Å; F376-P434 HydrophobicContact CB-CG 4.43Å; F376-P434 HydrophobicContact CD2-CG 4.14Å; F376-L477 HydrophobicContact CD1-CD1 4.24Å; F376-L477 HydrophobicContact CE1-CD1 3.96Å
377	I	98.8	Very high	98.1	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-64.9	-40.8	178.1	-67.2	164.4	0	0	0	111.3	L373 E374 L380 F381 V473 F474 L477	L373-I377 HydrophobicContact CD1-CD1 4.35Å; L373-I377 HydrophobicContact CG-CD1 4.22Å; L373-I377 VanDerWaalsContact O-CG1 3.32Å; L373-I377 WeakPolarHBondContact O-CG1 3.43Å; L373-I377 PolarHBondContact O-N 3.07Å; E374-I377 PolarHBondContact O-N 3.41Å; I377-L380 WeakPolarHBondContact O-CB 3.35Å; I377-L380 PolarHBondContact O-N 3.32Å; I377-F381 HydrophobicContact CG2-CD2 4.12Å; I377-F381 HydrophobicContact CG2-CE1 4.32Å; I377-F381 HydrophobicContact CG2-CE2 3.58Å; I377-F381 HydrophobicContact CG2-CZ 3.7Å; I377-F381 WeakPolarHBondContact O-CG 3.36Å; I377-F381 PolarHBondContact O-N 3.15Å; I377-V473 HydrophobicContact CD1-CG1 4.31Å; I377-V473 HydrophobicContact CG1-CG1 4.15Å; I377-V473 HydrophobicContact CG2-CG1 4.02Å; I377-F474 HydrophobicContact CD1-CB 3.95Å; I377-F474 HydrophobicContact CD1-CD2 4.22Å; I377-L477 HydrophobicContact CD1-CD1 4.11Å; I377-L477 HydrophobicContact CG1-CD1 3.68Å
378	L	98.8	Very high	98.2	Very high	9 Å²	9	16.6 Å²	16.6	5%	0.047	9%	0.087	C	C	.	.	H	α-helix	trans	-63.2	-44.2	175.1	-70.9	172.7	0	0	0	111.7	E374 S375 F381 R382 F437 V445	E374-L378 WeakPolarHBondContact O-CG 3.34Å; E374-L378 PolarHBondContact O-N 2.96Å; S375-L378 PolarHBondContact O-N 3.22Å; L378-F381 PolarHBondContact O-N 2.81Å; L378-R382 WeakPolarHBondContact O-CB 3.24Å; L378-R382 PolarHBondContact O-N 2.84Å; L378-F437 HydrophobicContact CB-CB 4.42Å; L378-F437 HydrophobicContact CB-CD1 4.22Å; L378-F437 HydrophobicContact CB-CD2 3.51Å; L378-F437 HydrophobicContact CB-CE1 4.37Å; L378-F437 HydrophobicContact CB-CE2 3.69Å; L378-F437 HydrophobicContact CB-CG 3.78Å; L378-F437 HydrophobicContact CB-CZ 4.13Å; L378-F437 HydrophobicContact CD1-CB 3.93Å; L378-F437 HydrophobicContact CD1-CD1 3.99Å; L378-F437 HydrophobicContact CD1-CD2 4.46Å; L378-F437 HydrophobicContact CD1-CG 3.87Å; L378-V445 HydrophobicContact CD1-CG1 3.69Å
379	E	98.8	Very high	98.5	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-69	-35.4	177.5	-172.1	70.1	172.2	0	0	112.2	S375 F376 R382 H383 S431 F432 L433 R436 F437	S375-E379 PolarHBondContact O-N 2.73Å; F376-E379 PolarHBondContact O-N 3.48Å; E379-R382 PolarHBondContact O-N 3.3Å; E379-R382 IonicContact OE1-CZ 3.38Å; E379-R382 IonicContact OE1-NE 2.79Å; E379-R382 PolarHBondContact OE1-NE 2.98Å; E379-R382 IonicContact OE1-NH2 2.9Å; E379-R382 PolarHBondContact OE1-NH2 3.36Å; E379-R382 IonicContact OE2-CZ 3.88Å; E379-R382 IonicContact OE2-NE 3.07Å; E379-R382 PolarHBondContact OE2-NE 3.16Å; E379-R382 IonicContact OE2-NH2 3.97Å; E379-H383 WeakPolarHBondContact O-CB 3.3Å; E379-H383 PolarHBondContact O-N 3.5Å; E379-S431 VanDerWaalsContact OE1-O 3.05Å; E379-F432 HydrophobicContact CB-CD2 4.46Å; E379-F432 HydrophobicContact CB-CE2 4Å; E379-F432 HydrophobicContact CB-CZ 4.44Å; E379-F432 HydrophobicContact CG-CD2 3.56Å; E379-F432 HydrophobicContact CG-CE2 3.58Å; E379-F432 HydrophobicContact CG-CG 4.2Å; E379-F432 HydrophobicContact CG-CZ 4.24Å; E379-L433 PolarHBondContact OE1-N 2.85Å; E379-R436 IonicContact OE1-CZ 3.59Å; E379-R436 IonicContact OE1-NE 3.34Å; E379-R436 PolarHBondContact OE1-NE 3.43Å; E379-R436 IonicContact OE1-NH2 3.27Å; E379-R436 WeakPolarHBondContact OE2-CD 3.44Å; E379-R436 IonicContact OE2-NE 2.93Å; E379-R436 PolarHBondContact OE2-NE 3.02Å; E379-R436 VanDerWaalsContact OE2-NE 3.07Å; E379-F437 HydrophobicContact CB-CD2 4.17Å; E379-F437 HydrophobicContact CB-CE2 4Å; E379-F437 VanDerWaalsContact OE2-CE2 3.28Å; E379-F437 WeakPolarHBondContact OE2-CE2 3.48Å
380	L	98.7	Very high	98.6	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-56.1	-51.5	170.3	166.2	67.9	0	0	0	110.5	W333 A334 Y337 F376 I377 S384	W333-L380 HydrophobicContact CB-CD1 3.73Å; A334-L380 HydrophobicContact CB-CD1 4.37Å; A334-L380 HydrophobicContact CB-CD2 3.74Å; Y337-L380 HydrophobicContact CD2-CD1 3.53Å; Y337-L380 HydrophobicContact CE2-CD1 3.71Å; F376-L380 VanDerWaalsContact O-CB 3.25Å; F376-L380 WeakPolarHBondContact O-CB 3.29Å; F376-L380 PolarHBondContact O-N 3.47Å; I377-L380 WeakPolarHBondContact O-CB 3.35Å; I377-L380 PolarHBondContact O-N 3.32Å; L380-S384 VanDerWaalsContact O-CB 3.27Å; L380-S384 WeakPolarHBondContact O-CB 3.44Å; L380-S384 PolarHBondContact O-N 3.33Å; L380-S384 VanDerWaalsContact O-N 3.11Å; L380-S384 PolarHBondContact O-OG 3.48Å
381	F	98.8	Very high	98.6	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-63.5	-43.7	178.8	-68.1	-17.9	0	0	0	112.2	I377 L378 S385 Y386 V453 I455 F456 V473	I377-F381 HydrophobicContact CG2-CD2 4.12Å; I377-F381 HydrophobicContact CG2-CE1 4.32Å; I377-F381 HydrophobicContact CG2-CE2 3.58Å; I377-F381 HydrophobicContact CG2-CZ 3.7Å; I377-F381 WeakPolarHBondContact O-CG 3.36Å; I377-F381 PolarHBondContact O-N 3.15Å; L378-F381 PolarHBondContact O-N 2.81Å; F381-S385 VanDerWaalsContact O-CA 3.31Å; F381-S385 WeakPolarHBondContact O-CA 3.31Å; F381-S385 PolarHBondContact O-N 3.42Å; F381-S385 VanDerWaalsContact O-N 3.09Å; F381-Y386 AromaticContact CD1-CE1 3.85Å; F381-Y386 HydrophobicContact CD1-CE1 3.85Å; F381-Y386 HydrophobicContact CE1-CE1 4.1Å; F381-V453 HydrophobicContact CB-CG1 3.94Å; F381-I455 HydrophobicContact CB-CB 4.44Å; F381-I455 HydrophobicContact CB-CD1 3.75Å; F381-I455 HydrophobicContact CB-CG2 4.1Å; F381-I455 HydrophobicContact CD1-CD1 3.87Å; F381-I455 HydrophobicContact CD2-CG2 4.07Å; F381-I455 HydrophobicContact CG-CD1 3.94Å; F381-I455 HydrophobicContact CG-CG2 4.09Å; F381-F456 HydrophobicContact CD2-CE2 4.27Å; F381-F456 AromaticContact CE2-CE2 3.96Å; F381-F456 HydrophobicContact CE2-CE2 3.96Å; F381-F456 HydrophobicContact CE2-CZ 4.05Å; F381-F456 HydrophobicContact CZ-CZ 4.29Å; F381-V473 HydrophobicContact CZ-CG1 4.35Å; F381-V473 HydrophobicContact CZ-CG2 4.36Å
382	R	98.8	Very high	98.6	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-65.2	-58.9	179.4	-170.6	-155.4	65.1	76.9	-3.6	111.6	L378 E379 S385 N420 H421 W426 P429 S431 F437 V453	L378-R382 WeakPolarHBondContact O-CB 3.24Å; L378-R382 PolarHBondContact O-N 2.84Å; E379-R382 PolarHBondContact O-N 3.3Å; E379-R382 IonicContact OE1-CZ 3.38Å; E379-R382 IonicContact OE1-NE 2.79Å; E379-R382 PolarHBondContact OE1-NE 2.98Å; E379-R382 IonicContact OE1-NH2 2.9Å; E379-R382 PolarHBondContact OE1-NH2 3.36Å; E379-R382 IonicContact OE2-CZ 3.88Å; E379-R382 IonicContact OE2-NE 3.07Å; E379-R382 PolarHBondContact OE2-NE 3.16Å; E379-R382 IonicContact OE2-NH2 3.97Å; R382-S385 PolarHBondContact O-N 3.49Å; R382-S385 PolarHBondContact O-OG 2.88Å; R382-N420 WeakPolarHBondContact CD-O 3.42Å; R382-N420 HydrophobicContact CG-CB 3.81Å; R382-N420 VanDerWaalsContact CG-O 3.23Å; R382-N420 WeakPolarHBondContact CG-O 3.31Å; R382-N420 PolarHBondContact NH1-O 3.33Å; R382-N420 WeakPolarHBondContact O-CB 3.27Å; R382-H421 PolarHBondContact O-CE1 3.38Å; R382-W426 HydrophobicContact CG-CD2 4.48Å; R382-W426 HydrophobicContact CG-CZ2 4.23Å; R382-P429 PolarHBondContact NH1-O 2.84Å; R382-P429 PolarHBondContact NH2-O 3.17Å; R382-S431 PolarHBondContact NH2-O 3.21Å; R382-F437 HydrophobicContact CB-CZ 4.44Å; R382-V453 HydrophobicContact CB-CG1 4.01Å; R382-V453 HydrophobicContact CB-CG2 4.11Å; R382-V453 HydrophobicContact CG-CG2 4.47Å
383	H	98.8	Very high	98.6	Very high	36 Å²	36	7.3 Å²	7.3	17%	0.167	4%	0.037	C	C	.	.	H	α-helix	trans	-69.7	-45	-170	-174.5	-86	0	0	0	112.3	Y337 E379 S385 H421 S430 F432	Y337-H383 AromaticContact CE1-ND1 3.54Å; Y337-H383 AromaticContact CZ-ND1 3.5Å; Y337-H383 PolarHBondContact OH-ND1 2.68Å; E379-H383 WeakPolarHBondContact O-CB 3.3Å; E379-H383 PolarHBondContact O-N 3.5Å; H383-S385 VanDerWaalsContact C-N 3.3Å; H383-S385 PolarHBondContact O-N 3.24Å; H383-H421 PolarHBondContact O-CE1 2.64Å; H383-H421 VanDerWaalsContact O-CE1 3.29Å; H383-H421 PolarHBondContact O-NE2 2.72Å; H383-H421 VanDerWaalsContact O-NE2 3.17Å; H383-S430 PolarHBondContact NE2-O 3.35Å; H383-S430 VanDerWaalsContact NE2-O 3.1Å; H383-F432 HydrophobicContact CB-CD2 3.89Å
384	S	98.4	Very high	98.6	Very high	2 Å²	2	7.7 Å²	7.7	1%	0.014	4%	0.039	C	C	.	.	H	α-helix	trans	-66.9	-37.6	174.6	69.3	0	0	0	0	111.2	L380 Y386 M504	L380-S384 VanDerWaalsContact O-CB 3.27Å; L380-S384 WeakPolarHBondContact O-CB 3.44Å; L380-S384 PolarHBondContact O-N 3.33Å; L380-S384 VanDerWaalsContact O-N 3.11Å; L380-S384 PolarHBondContact O-OG 3.48Å; S384-Y386 PolarHBondContact O-N 3.39Å; S384-Y386 WeakPolarHBondContact OG-CD1 3.44Å; S384-Y386 PolarHBondContact OG-N 3.46Å; S384-M504 WeakPolarHBondContact O-CE 3.32Å
385	S	98.7	Very high	98.6	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	4%	0.035	C	C	.	.			trans	40.8	43.2	-169.8	-78.6	0	0	0	0	111.1	F381 R382 H383 L387 P388 W417 N420 H421 M504	F381-S385 VanDerWaalsContact O-CA 3.31Å; F381-S385 WeakPolarHBondContact O-CA 3.31Å; F381-S385 PolarHBondContact O-N 3.42Å; F381-S385 VanDerWaalsContact O-N 3.09Å; R382-S385 PolarHBondContact O-N 3.49Å; R382-S385 PolarHBondContact O-OG 2.88Å; H383-S385 VanDerWaalsContact C-N 3.3Å; H383-S385 PolarHBondContact O-N 3.24Å; S385-L387 CarbonylContact O-C 3.5Å; S385-L387 PolarHBondContact O-N 3.12Å; S385-P388 WeakPolarHBondContact O-CA 3.5Å; S385-P388 WeakPolarHBondContact O-CD 3.35Å; S385-W417 VanDerWaalsContact CB-CD1 3.49Å; S385-N420 WeakPolarHBondContact OG-CB 3.18Å; S385-N420 PolarHBondContact OG-ND2 3.21Å; S385-H421 PolarHBondContact OG-CE1 3.1Å; S385-M504 VanDerWaalsContact O-CE 3.24Å; S385-M504 WeakPolarHBondContact O-CE 3.08Å
386	Y	98.4	Very high	98.5	Very high	4 Å²	4	9.5 Å²	9.5	2%	0.016	5%	0.052	C	C	.	.	S	Bend	trans	-61	-14.3	-168.3	68.5	-102.4	0	0	0	112.6	T326 T329 F381 S384 P388 I455 T503 M504	T326-Y386 WeakPolarHBondContact O-CE2 3.43Å; T326-Y386 PolarHBondContact O-OH 3.46Å; T329-Y386 HydrophobicContact CG2-CD1 4.36Å; T329-Y386 HydrophobicContact CG2-CD2 3.47Å; T329-Y386 VanDerWaalsContact CG2-CD2 3.47Å; T329-Y386 HydrophobicContact CG2-CE2 4.1Å; T329-Y386 HydrophobicContact CG2-CG 3.64Å; F381-Y386 AromaticContact CD1-CE1 3.85Å; F381-Y386 HydrophobicContact CD1-CE1 3.85Å; F381-Y386 HydrophobicContact CE1-CE1 4.1Å; S384-Y386 PolarHBondContact O-N 3.39Å; S384-Y386 WeakPolarHBondContact OG-CD1 3.44Å; S384-Y386 PolarHBondContact OG-N 3.46Å; Y386-P388 VanDerWaalsContact C-CD 3.46Å; Y386-P388 WeakPolarHBondContact O-CD 3.41Å; Y386-I455 HydrophobicContact CD1-CD1 3.85Å; Y386-I455 HydrophobicContact CE1-CD1 3.48Å; Y386-I455 VanDerWaalsContact CE1-CD1 3.48Å; Y386-I455 HydrophobicContact CE2-CD1 4.38Å; Y386-I455 HydrophobicContact CG-CD1 4.41Å; Y386-T503 HydrophobicContact CD2-CG2 4.3Å; Y386-T503 CarbonylContact O-C 3.59Å; Y386-T503 VanDerWaalsContact O-CA 3.23Å; Y386-T503 WeakPolarHBondContact O-CA 3.26Å; Y386-M504 PolarHBondContact O-N 3.49Å
387	L	98.3	Very high	98.4	Very high	25 Å²	25	14.5 Å²	14.5	13%	0.131	7%	0.074	C	C	.	.	S	Bend	trans	-102	81	159.7	-74.4	162.6	0	0	0	109.3	S385 F389 Q416 I455 L502 T503	S385-L387 CarbonylContact O-C 3.5Å; S385-L387 PolarHBondContact O-N 3.12Å; L387-F389 VanDerWaalsContact C-N 3.25Å; L387-F389 PolarHBondContact O-N 3.49Å; L387-Q416 PolarHBondContact O-NE2 3.36Å; L387-I455 HydrophobicContact CB-CG1 4.07Å; L387-I455 HydrophobicContact CD1-CG1 4.17Å; L387-L502 HydrophobicContact CD2-CG 4.48Å; L387-L502 WeakPolarHBondContact CD2-O 3.33Å; L387-T503 HydrophobicContact CD2-CG2 3.56Å; L387-T503 HydrophobicContact CG-CG2 4.12Å
388	P	98.4	Very high	98.3	Very high	1 Å²	1	19 Å²	19	1%	0.006	10%	0.097	C	C	.	.			trans	-69.8	-25.9	-168.9	28	-36.9	0	0	0	112.7	Y65 S385 Y386 Q416 W417 Y500 M504	Y65-P388 HydrophobicContact CD1-CB 4.38Å; Y65-P388 HydrophobicContact CG-CB 4.03Å; S385-P388 WeakPolarHBondContact O-CA 3.5Å; S385-P388 WeakPolarHBondContact O-CD 3.35Å; Y386-P388 VanDerWaalsContact C-CD 3.46Å; Y386-P388 WeakPolarHBondContact O-CD 3.41Å; P388-Q416 PolarHBondContact O-N 3.37Å; P388-W417 HydrophobicContact CB-CB 3.94Å; P388-W417 PolarHBondContact O-N 3.01Å; P388-Y500 HydrophobicContact CG-CD2 4.31Å; P388-Y500 HydrophobicContact CG-CE2 3.95Å; P388-M504 HydrophobicContact CB-CE 3.9Å; P388-M504 HydrophobicContact CB-SD 4.11Å; P388-M504 HydrophobicContact CG-CE 4.03Å; P388-M504 HydrophobicContact CG-CG 3.79Å; P388-M504 HydrophobicContact CG-SD 3.79Å
389	F	98.8	Very high	98.2	Very high	5 Å²	5	19.3 Å²	19.3	2%	0.022	10%	0.1	C	C	.	.	B	Isolated β-bridge	trans	-124.8	156.8	169.7	-61.5	-81.8	0	0	0	109.7	P64 Y65 L68 L387 F413 I414 N415 Y500	P64-F389 HydrophobicContact CB-CE2 4.09Å; P64-F389 HydrophobicContact CB-CZ 4.33Å; Y65-F389 VanDerWaalsContact CA-CZ 3.47Å; L68-F389 HydrophobicContact CB-CZ 4.46Å; L68-F389 HydrophobicContact CD1-CE1 3.82Å; L68-F389 HydrophobicContact CD1-CZ 3.67Å; L387-F389 VanDerWaalsContact C-N 3.25Å; L387-F389 PolarHBondContact O-N 3.49Å; F389-F413 HydrophobicContact CD1-CB 4.23Å; F389-F413 HydrophobicContact CE1-CB 4.5Å; F389-I414 WeakPolarHBondContact CA-O 3.3Å; F389-I414 WeakPolarHBondContact CD1-O 3.43Å; F389-N415 HydrophobicContact CD1-CB 4.08Å; F389-N415 HydrophobicContact CE1-CB 3.72Å; F389-Y500 HydrophobicContact CD2-CE2 4.12Å; F389-Y500 WeakPolarHBondContact CD2-OH 3.13Å; F389-Y500 HydrophobicContact CE2-CE2 4.01Å; F389-Y500 WeakPolarHBondContact CE2-OH 3.33Å
390	T	98.8	Very high	98.2	Very high	13 Å²	13	21.5 Å²	21.5	8%	0.08	12%	0.115	C	C	.	.	P	Polyproline II helix	trans	-66.1	164.5	157.1	67.9	0	0	0	0	109.3	H393 I414 Q416	T390-H393 PolarHBondContact OG1-CD2 3.4Å; T390-I414 HydrophobicContact CG2-CB 3.79Å; T390-I414 HydrophobicContact CG2-CG1 4.25Å; T390-I414 HydrophobicContact CG2-CG2 4.02Å; T390-I414 PolarHBondContact N-O 2.95Å; T390-I414 WeakPolarHBondContact OG1-CB 3.49Å; T390-I414 WeakPolarHBondContact OG1-CG1 3.43Å; T390-Q416 HydrophobicContact CG2-CG 3.99Å
391	I	98.3	Very high	98.2	Very high	31 Å²	31	21.5 Å²	21.5	16%	0.159	12%	0.115	C	C	.	.	S	Bend	trans	-52.9	135.7	159.9	-62.7	169.8	0	0	0	107.6	R111 F117 A127 F128 H393 L502	R111-I391 VanDerWaalsContact CZ-CG2 3.4Å; R111-I391 PolarHBondContact NH1-O 3.25Å; F117-I391 HydrophobicContact CE2-CG2 4.14Å; F117-I391 HydrophobicContact CZ-CG2 4.01Å; A127-I391 HydrophobicContact CB-CD1 4.12Å; F128-I391 HydrophobicContact CD1-CD1 4.24Å; F128-I391 HydrophobicContact CD1-CG2 3.88Å; F128-I391 HydrophobicContact CE1-CD1 3.65Å; F128-I391 HydrophobicContact CE1-CG1 3.88Å; F128-I391 HydrophobicContact CE1-CG2 3.89Å; F128-I391 HydrophobicContact CE2-CD1 4.18Å; F128-I391 HydrophobicContact CZ-CD1 3.61Å; F128-I391 HydrophobicContact CZ-CG1 4.18Å; I391-H393 PolarHBondContact O-CD2 2.86Å; I391-H393 PolarHBondContact O-N 2.98Å; I391-L502 HydrophobicContact CG1-CD1 3.93Å
392	P	98.4	Very high	98	Very high	2 Å²	2	25.1 Å²	25.1	1%	0.013	13%	0.134	C	C	.	.	P	Polyproline II helix	trans	-48	134.8	179.7	-32.2	35.6	0	0	0	113.6	R111 P112 L114 F117 F413	R111-P392 WeakPolarHBondContact CD-O 3.24Å; R111-P392 PolarHBondContact NH1-O 3.45Å; P112-P392 VanDerWaalsContact CD-O 3.28Å; P112-P392 WeakPolarHBondContact CD-O 3.33Å; P112-P392 HydrophobicContact CG-CB 3.65Å; L114-P392 HydrophobicContact CD1-CG 4.35Å; F117-P392 HydrophobicContact CZ-CG 4.37Å; P392-F413 HydrophobicContact CB-CD1 4.04Å; P392-F413 HydrophobicContact CB-CE1 3.92Å; P392-F413 HydrophobicContact CG-CD1 3.99Å; P392-F413 HydrophobicContact CG-CE1 3.67Å
393	H	98.6	Very high	97.9	Very high	5 Å²	5	26.5 Å²	26.5	2%	0.023	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	167.8	173.9	-75.7	-115.3	0	0	0	110.5	F108 G110 T390 I391 V412	F108-H393 PolarHBondContact O-ND1 3.35Å; G110-H393 CarbonylContact O-C 3.28Å; G110-H393 WeakPolarHBondContact O-CA 3.29Å; T390-H393 PolarHBondContact OG1-CD2 3.4Å; I391-H393 PolarHBondContact O-CD2 2.86Å; I391-H393 PolarHBondContact O-N 2.98Å; H393-V412 HydrophobicContact CB-CB 4.04Å; H393-V412 PolarHBondContact N-O 3.28Å; H393-V412 PolarHBondContact O-N 3.09Å
394	C	98.1	Very high	97.9	Very high	7 Å²	7	26.9 Å²	26.9	5%	0.047	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	138.1	173.6	-167.2	0	0	0	0	110.1	G110 R111 P112 T396 D409 T410	G110-C394 VanDerWaalsContact CA-O 3.27Å; G110-C394 WeakPolarHBondContact CA-O 3.33Å; G110-C394 PolarHBondContact N-O 3.05Å; G110-C394 VanDerWaalsContact N-O 3.09Å; G110-C394 PolarHBondContact O-N 2.92Å; R111-C394 WeakPolarHBondContact O-CB 3.3Å; P112-C394 HydrophobicContact CB-CB 4.35Å; C394-T396 PolarHBondContact O-N 3.01Å; C394-D409 VanDerWaalsContact SG-C 3.52Å; C394-D409 VanDerWaalsContact SG-CA 3.54Å; C394-T410 VanDerWaalsContact CA-O 3.3Å; C394-T410 WeakPolarHBondContact CA-O 2.92Å
395	S	98.1	Very high	97.8	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.153	C	C	.	.			trans	-68.7	126.6	174.9	53.3	0	0	0	0	110.8	D107 P407 K408 D409 T410	D107-S395 CarbonylContact O-C 3.37Å; D107-S395 WeakPolarHBondContact O-CA 3.32Å; S395-P407 PolarHBondContact OG-O 3.46Å; S395-K408 WeakPolarHBondContact OG-CA 3.45Å; S395-D409 PolarHBondContact O-N 3.45Å; S395-D409 PolarHBondContact OG-N 3Å; S395-T410 PolarHBondContact N-O 2.91Å; S395-T410 WeakPolarHBondContact OG-CB 3.39Å; S395-T410 PolarHBondContact OG-N 3.14Å
396	T	97.3	Very high	97.8	Very high	59 Å²	59	27.8 Å²	27.8	36%	0.362	15%	0.153	S	C	.	.	S	Bend	trans	-84.5	-17.5	-175.3	61.2	0	0	0	0	113	D106 D107 C394 K408	D106-T396 WeakPolarHBondContact O-CG2 3.08Å; D106-T396 PolarHBondContact O-OG1 2.93Å; D107-T396 WeakPolarHBondContact CA-OG1 3.44Å; D107-T396 PolarHBondContact O-N 2.94Å; D107-T396 PolarHBondContact O-OG1 2.81Å; C394-T396 PolarHBondContact O-N 3.01Å; T396-K408 WeakPolarHBondContact O-CE 3.16Å
397	K	96.4	Very high	97.7	Very high	106 Å²	106	28.6 Å²	28.6	46%	0.461	16%	0.158	S	C	.	.	S	Bend	trans	-153.3	170.4	174.8	62.1	176.6	-172.1	-157.7	0	109.5	D107 T399	D107-K397 WeakPolarHBondContact OD1-CE 3.22Å; D107-K397 IonicContact OD1-NZ 3.13Å; D107-K397 PolarHBondContact OD1-NZ 3.4Å; D107-K397 WeakPolarHBondContact OD2-CE 3.38Å; D107-K397 IonicContact OD2-NZ 3.97Å; K397-T399 PolarHBondContact O-N 2.8Å
398	D	97.1	Very high	97.6	Very high	93 Å²	93	32 Å²	32	50%	0.497	17%	0.172	S	C	.	.			trans	-58.5	128.7	166.4	-76	1.6	0	0	0	109.1	F405 P407 K408	D398-F405 HydrophobicContact CB-CE2 3.89Å; D398-F405 HydrophobicContact CB-CZ 4.14Å; D398-P407 WeakPolarHBondContact OD1-CA 3.4Å; D398-K408 WeakPolarHBondContact OD1-CB 3.44Å; D398-K408 PolarHBondContact OD1-N 3.18Å
399	T	97.3	Very high	97.5	Very high	16 Å²	16	36.8 Å²	36.8	10%	0.098	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	176	-176.6	-166.1	0	0	0	0	111.4	D107 F108 K397 F405 I406	D107-T399 HydrophobicContact CB-CG2 4.38Å; D107-T399 WeakPolarHBondContact OD2-CB 3.43Å; D107-T399 PolarHBondContact OD2-OG1 2.89Å; F108-T399 HydrophobicContact CE2-CG2 4.08Å; F108-T399 HydrophobicContact CZ-CG2 3.78Å; K397-T399 PolarHBondContact O-N 2.8Å; T399-F405 WeakPolarHBondContact O-CD2 3.42Å; T399-I406 HydrophobicContact CG2-CB 3.98Å; T399-I406 HydrophobicContact CG2-CG2 4.38Å; T399-I406 PolarHBondContact N-O 3.45Å; T399-I406 PolarHBondContact O-N 2.89Å
400	S	97.2	Very high	97.4	Very high	46 Å²	46	36.9 Å²	36.9	32%	0.322	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	140.9	172.2	67.5	0	0	0	0	111.4	Q104 Y404	Q104-S400 PolarHBondContact NE2-O 3.04Å; Q104-S400 PolarHBondContact OE1-O 3.39Å; S400-Y404 CarbonylContact C-O 3.42Å; S400-Y404 WeakPolarHBondContact CA-O 3.33Å; S400-Y404 WeakPolarHBondContact CB-O 3.42Å
401	L	98.3	Very high	97.4	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	123.1	177.3	-176.7	66.7	0	0	0	108.7	V78 L91 T96 Q99 A100 F108 G403 Y404 I406	V78-L401 HydrophobicContact CG1-CD2 4.34Å; V78-L401 HydrophobicContact CG2-CD2 3.9Å; V78-L401 HydrophobicContact CG2-CG 4.17Å; L91-L401 HydrophobicContact CD1-CD2 3.83Å; L91-L401 HydrophobicContact CD2-CD2 3.55Å; L91-L401 HydrophobicContact CG-CD2 4.37Å; T96-L401 HydrophobicContact CG2-CD2 4.12Å; Q99-L401 HydrophobicContact CB-CD1 4.15Å; Q99-L401 HydrophobicContact CG-CD1 3.66Å; A100-L401 HydrophobicContact CB-CD1 4.06Å; A100-L401 HydrophobicContact CB-CD2 3.94Å; F108-L401 HydrophobicContact CZ-CB 4.44Å; F108-L401 HydrophobicContact CZ-CD2 4.32Å; L401-G403 PolarHBondContact O-N 2.75Å; L401-G403 VanDerWaalsContact O-N 3.13Å; L401-Y404 PolarHBondContact N-O 2.58Å; L401-Y404 WeakPolarHBondContact O-CB 3.44Å; L401-Y404 PolarHBondContact O-N 2.71Å; L401-I406 HydrophobicContact CB-CD1 3.78Å; L401-I406 HydrophobicContact CD2-CD1 4.26Å
402	N	96.3	Very high	97.4	Very high	76 Å²	76	34.8 Å²	34.8	41%	0.406	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	36.6	-179.1	-61	-10.1	0	0	0	114	R43 V78 T96 Y404	R43-N402 PolarHBondContact NH2-O 3.44Å; R43-N402 VanDerWaalsContact NH2-O 3.08Å; V78-N402 HydrophobicContact CG2-CB 4.41Å; T96-N402 PolarHBondContact OG1-ND2 2.79Å; N402-Y404 VanDerWaalsContact C-N 3.31Å; N402-Y404 HydrophobicContact CB-CD2 4.44Å; N402-Y404 PolarHBondContact O-N 2.68Å
403	G	95.9	Very high	97.4	Very high	29 Å²	29	34.7 Å²	34.7	30%	0.299	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.6	9.4	-179.1	0	0	0	0	0	115	R43 L401	R43-G403 PolarHBondContact N-O 3.44Å; L401-G403 PolarHBondContact O-N 2.75Å; L401-G403 VanDerWaalsContact O-N 3.13Å
404	Y	98	Very high	97.5	Very high	44 Å²	44	34.5 Å²	34.5	17%	0.173	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	138.7	172.2	-60.8	-69.8	0	0	0	111.1	R43 Q44 L45 P46 V78 S400 L401 N402	R43-Y404 HydrophobicContact CB-CD1 3.75Å; R43-Y404 HydrophobicContact CB-CE1 3.92Å; R43-Y404 WeakPolarHBondContact O-CA 3.3Å; Q44-Y404 VanDerWaalsContact O-CD1 3.24Å; Q44-Y404 WeakPolarHBondContact O-CD1 3.42Å; Q44-Y404 WeakPolarHBondContact O-CE1 3.35Å; L45-Y404 HydrophobicContact CD2-CG 4.14Å; P46-Y404 HydrophobicContact CG-CE1 4.45Å; V78-Y404 HydrophobicContact CB-CD2 4Å; V78-Y404 HydrophobicContact CB-CE2 4.3Å; V78-Y404 HydrophobicContact CG1-CD2 4.09Å; S400-Y404 CarbonylContact C-O 3.42Å; S400-Y404 WeakPolarHBondContact CA-O 3.33Å; S400-Y404 WeakPolarHBondContact CB-O 3.42Å; L401-Y404 PolarHBondContact N-O 2.58Å; L401-Y404 WeakPolarHBondContact O-CB 3.44Å; L401-Y404 PolarHBondContact O-N 2.71Å; N402-Y404 VanDerWaalsContact C-N 3.31Å; N402-Y404 HydrophobicContact CB-CD2 4.44Å; N402-Y404 PolarHBondContact O-N 2.68Å
405	F	97.9	Very high	97.5	Very high	22 Å²	22	34.1 Å²	34.1	10%	0.096	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	128.1	173.3	-179.8	-123.4	0	0	0	110.7	I38 P39 L42 R43 D398 T399 P407	I38-F405 HydrophobicContact CG2-CB 4.05Å; P39-F405 HydrophobicContact CG-CD2 3.93Å; P39-F405 HydrophobicContact CG-CE2 3.87Å; P39-F405 HydrophobicContact CG-CG 4.38Å; P39-F405 HydrophobicContact CG-CZ 4.27Å; L42-F405 HydrophobicContact CB-CB 4.05Å; L42-F405 HydrophobicContact CD1-CB 3.89Å; L42-F405 HydrophobicContact CD1-CD2 3.86Å; L42-F405 HydrophobicContact CD1-CG 4.29Å; R43-F405 PolarHBondContact O-N 2.85Å; D398-F405 HydrophobicContact CB-CE2 3.89Å; D398-F405 HydrophobicContact CB-CZ 4.14Å; T399-F405 WeakPolarHBondContact O-CD2 3.42Å; F405-P407 HydrophobicContact CD1-CG 4.18Å; F405-P407 HydrophobicContact CE1-CB 4.28Å; F405-P407 HydrophobicContact CE1-CG 3.81Å; F405-P407 HydrophobicContact CZ-CB 4.45Å; F405-P407 HydrophobicContact CZ-CG 4.42Å
406	I	97.8	Very high	97.5	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	109.4	174.4	-61.7	173.3	0	0	0	107.2	L45 V89 F108 T399 L401 T410	L45-I406 HydrophobicContact CD1-CG1 4.31Å; L45-I406 HydrophobicContact CD2-CG1 4.31Å; V89-I406 HydrophobicContact CG1-CD1 4.33Å; V89-I406 HydrophobicContact CG2-CG2 4.49Å; F108-I406 HydrophobicContact CE1-CD1 4.06Å; F108-I406 HydrophobicContact CZ-CD1 3.91Å; T399-I406 HydrophobicContact CG2-CB 3.98Å; T399-I406 HydrophobicContact CG2-CG2 4.38Å; T399-I406 PolarHBondContact N-O 3.45Å; T399-I406 PolarHBondContact O-N 2.89Å; L401-I406 HydrophobicContact CB-CD1 3.78Å; L401-I406 HydrophobicContact CD2-CD1 4.26Å; I406-T410 HydrophobicContact CG2-CG2 4.2Å
407	P	96.3	Very high	97.6	Very high	20 Å²	20	33.4 Å²	33.4	13%	0.13	17%	0.174	C	C	.	.			trans	-65.7	158.9	179.1	-18.4	29.9	0	0	0	112.1	S395 D398 F405 T410	S395-P407 PolarHBondContact OG-O 3.46Å; D398-P407 WeakPolarHBondContact OD1-CA 3.4Å; F405-P407 HydrophobicContact CD1-CG 4.18Å; F405-P407 HydrophobicContact CE1-CB 4.28Å; F405-P407 HydrophobicContact CE1-CG 3.81Å; F405-P407 HydrophobicContact CZ-CB 4.45Å; F405-P407 HydrophobicContact CZ-CG 4.42Å; P407-T410 VanDerWaalsContact O-CB 3.3Å; P407-T410 WeakPolarHBondContact O-CB 3.4Å; P407-T410 PolarHBondContact O-OG1 2.81Å
408	K	96.4	Very high	97.7	Very high	97 Å²	97	28.9 Å²	28.9	42%	0.422	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	150	166.9	-171.3	-177.4	170.6	-167.3	0	111.3	S395 T396 D398 T410	S395-K408 WeakPolarHBondContact OG-CA 3.45Å; T396-K408 WeakPolarHBondContact O-CE 3.16Å; D398-K408 WeakPolarHBondContact OD1-CB 3.44Å; D398-K408 PolarHBondContact OD1-N 3.18Å; K408-T410 PolarHBondContact O-N 2.93Å
409	D	96.1	Very high	97.8	Very high	101 Å²	101	24.5 Å²	24.5	54%	0.54	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	65	21.3	176	-55.3	-45.3	0	0	0	113.3	C394 S395	C394-D409 VanDerWaalsContact SG-C 3.52Å; C394-D409 VanDerWaalsContact SG-CA 3.54Å; S395-D409 PolarHBondContact O-N 3.45Å; S395-D409 PolarHBondContact OG-N 3Å
410	T	97.4	Very high	97.8	Very high	7 Å²	7	23.7 Å²	23.7	4%	0.043	13%	0.126	C	C	.	.			trans	-83.2	126.2	175.8	-60.5	0	0	0	0	109.5	V89 C394 S395 I406 P407 K408 V412	V89-T410 HydrophobicContact CB-CG2 4.29Å; V89-T410 HydrophobicContact CG2-CG2 3.6Å; C394-T410 VanDerWaalsContact CA-O 3.3Å; C394-T410 WeakPolarHBondContact CA-O 2.92Å; S395-T410 PolarHBondContact N-O 2.91Å; S395-T410 WeakPolarHBondContact OG-CB 3.39Å; S395-T410 PolarHBondContact OG-N 3.14Å; I406-T410 HydrophobicContact CG2-CG2 4.2Å; P407-T410 VanDerWaalsContact O-CB 3.3Å; P407-T410 WeakPolarHBondContact O-CB 3.4Å; P407-T410 PolarHBondContact O-OG1 2.81Å; K408-T410 PolarHBondContact O-N 2.93Å; T410-V412 WeakPolarHBondContact O-CG2 3.41Å
411	C	98.3	Very high	97.9	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	135.7	173.7	-175.3	0	0	0	0	109.9	V88 V89 P112	V88-C411 CarbonylContact C-O 3.57Å; V88-C411 WeakPolarHBondContact CA-O 3.41Å; V88-C411 HydrophobicContact CG1-CB 4.39Å; V88-C411 HydrophobicContact CG2-CB 4.15Å; V89-C411 PolarHBondContact N-O 2.89Å; P112-C411 HydrophobicContact CB-CB 4.28Å
412	V	98.8	Very high	97.9	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	121.3	-176.4	-172.7	0	0	0	0	110.5	V89 L91 F108 H393 T410 I414	V89-V412 HydrophobicContact CB-CG1 4.49Å; V89-V412 HydrophobicContact CB-CG2 4.29Å; V89-V412 HydrophobicContact CG1-CG1 4.35Å; V89-V412 CarbonylContact O-C 3.41Å; V89-V412 VanDerWaalsContact O-CA 3.26Å; V89-V412 WeakPolarHBondContact O-CA 3.21Å; L91-V412 HydrophobicContact CD1-CG1 3.73Å; L91-V412 HydrophobicContact CG-CG1 3.71Å; F108-V412 HydrophobicContact CD1-CG1 4.46Å; F108-V412 HydrophobicContact CD1-CG2 4.06Å; F108-V412 HydrophobicContact CE1-CG2 4.18Å; H393-V412 HydrophobicContact CB-CB 4.04Å; H393-V412 PolarHBondContact N-O 3.28Å; H393-V412 PolarHBondContact O-N 3.09Å; T410-V412 WeakPolarHBondContact O-CG2 3.41Å; V412-I414 HydrophobicContact CG1-CD1 3.9Å
413	F	98.8	Very high	97.9	Very high	1 Å²	1	23.9 Å²	23.9	0%	0.004	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	133.3	170.3	-66.2	-8.6	0	0	0	109.9	L68 I83 V88 V89 V90 L91 F241 F389 P392	L68-F413 HydrophobicContact CD1-CD2 4.15Å; I83-F413 HydrophobicContact CD1-CE2 3.94Å; I83-F413 HydrophobicContact CD1-CZ 4.13Å; V88-F413 HydrophobicContact CG1-CD1 3.85Å; V88-F413 HydrophobicContact CG1-CD2 3.79Å; V88-F413 HydrophobicContact CG1-CE1 3.92Å; V88-F413 HydrophobicContact CG1-CE2 3.87Å; V88-F413 HydrophobicContact CG1-CG 3.77Å; V88-F413 HydrophobicContact CG1-CZ 3.93Å; V89-F413 PolarHBondContact O-N 3.45Å; V90-F413 WeakPolarHBondContact CA-O 3.13Å; V90-F413 HydrophobicContact CG2-CB 4.41Å; L91-F413 PolarHBondContact N-O 3.39Å; F241-F413 HydrophobicContact CE2-CZ 4.43Å; F241-F413 HydrophobicContact CZ-CE1 4.38Å; F241-F413 AromaticContact CZ-CZ 3.91Å; F241-F413 HydrophobicContact CZ-CZ 3.91Å; F389-F413 HydrophobicContact CD1-CB 4.23Å; F389-F413 HydrophobicContact CE1-CB 4.5Å; P392-F413 HydrophobicContact CB-CD1 4.04Å; P392-F413 HydrophobicContact CB-CE1 3.92Å; P392-F413 HydrophobicContact CG-CD1 3.99Å; P392-F413 HydrophobicContact CG-CE1 3.67Å
414	I	98.8	Very high	98	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	110.1	175.6	-49.1	-61.1	0	0	0	107.6	L91 V97 L101 F389 T390 V412 Q416	L91-I414 HydrophobicContact CB-CD1 3.92Å; L91-I414 HydrophobicContact CD1-CD1 3.7Å; L91-I414 HydrophobicContact CG-CD1 4.08Å; V97-I414 HydrophobicContact CB-CG2 4.4Å; V97-I414 HydrophobicContact CG1-CG2 3.54Å; V97-I414 HydrophobicContact CG2-CG2 3.88Å; L101-I414 HydrophobicContact CD1-CD1 4.29Å; L101-I414 HydrophobicContact CD1-CG1 4.12Å; L101-I414 HydrophobicContact CD1-CG2 4.17Å; L101-I414 HydrophobicContact CD2-CD1 4.05Å; L101-I414 HydrophobicContact CD2-CG1 4.4Å; L101-I414 HydrophobicContact CG-CD1 4.35Å; F389-I414 WeakPolarHBondContact CA-O 3.3Å; F389-I414 WeakPolarHBondContact CD1-O 3.43Å; T390-I414 HydrophobicContact CG2-CB 3.79Å; T390-I414 HydrophobicContact CG2-CG1 4.25Å; T390-I414 HydrophobicContact CG2-CG2 4.02Å; T390-I414 PolarHBondContact N-O 2.95Å; T390-I414 WeakPolarHBondContact OG1-CB 3.49Å; T390-I414 WeakPolarHBondContact OG1-CG1 3.43Å; V412-I414 HydrophobicContact CG1-CD1 3.9Å; I414-Q416 PolarHBondContact O-N 3.41Å; I414-Q416 VanDerWaalsContact O-N 3.16Å
415	N	98.8	Very high	97.9	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.156	C	C	.	.	B	Isolated β-bridge	trans	-84.2	89.4	-175.6	-167.4	-12.2	0	0	0	110.8	T69 L91 F389 W417 Q418	T69-N415 PolarHBondContact OG1-ND2 3.45Å; T69-N415 VanDerWaalsContact OG1-ND2 3.16Å; L91-N415 PolarHBondContact O-N 3.45Å; F389-N415 HydrophobicContact CD1-CB 4.08Å; F389-N415 HydrophobicContact CE1-CB 3.72Å; N415-W417 VanDerWaalsContact C-N 3.35Å; N415-W417 PolarHBondContact OD1-N 2.86Å; N415-Q418 HydrophobicContact CB-CB 4.07Å; N415-Q418 VanDerWaalsContact CG-CB 3.5Å; N415-Q418 PolarHBondContact OD1-N 3.28Å
416	Q	98.8	Very high	97.9	Very high	3 Å²	3	30.6 Å²	30.6	1%	0.014	15%	0.152	C	C	.	.	H	α-helix	trans	-68.2	-36.5	177.6	-61.6	-167.1	116.5	0	0	111.4	L387 P388 T390 I414 Q418 I419 N420 L454 I455	L387-Q416 PolarHBondContact O-NE2 3.36Å; P388-Q416 PolarHBondContact O-N 3.37Å; T390-Q416 HydrophobicContact CG2-CG 3.99Å; I414-Q416 PolarHBondContact O-N 3.41Å; I414-Q416 VanDerWaalsContact O-N 3.16Å; Q416-Q418 VanDerWaalsContact C-N 3.33Å; Q416-Q418 PolarHBondContact O-N 3.28Å; Q416-I419 PolarHBondContact O-N 3.14Å; Q416-N420 PolarHBondContact O-N 3.14Å; Q416-N420 PolarHBondContact O-ND2 2.84Å; Q416-L454 HydrophobicContact CB-CD2 4.42Å; Q416-L454 WeakPolarHBondContact CB-O 3.36Å; Q416-L454 HydrophobicContact CG-CD2 3.89Å; Q416-L454 HydrophobicContact CG-CG 4.08Å; Q416-I455 PolarHBondContact NE2-O 3.28Å; Q416-I455 PolarHBondContact OE1-O 3.44Å
417	W	98.8	Very high	97.8	Very high	41 Å²	41	38.5 Å²	38.5	16%	0.155	19%	0.187	C	C	.	.	H	α-helix	trans	-58.2	-45.3	177.4	-171.7	98.5	0	0	0	111.4	Y65 L66 T69 S385 P388 N415 I419 N420 H421	Y65-W417 HydrophobicContact CD2-CB 4.31Å; Y65-W417 AromaticContact CD2-CD1 3.49Å; Y65-W417 VanDerWaalsContact CD2-CD1 3.49Å; Y65-W417 AromaticContact CD2-CD2 3.73Å; Y65-W417 HydrophobicContact CD2-CD2 3.73Å; Y65-W417 AromaticContact CD2-CE2 3.8Å; Y65-W417 HydrophobicContact CD2-CE3 4.47Å; Y65-W417 AromaticContact CD2-CG 3.58Å; Y65-W417 HydrophobicContact CD2-CG 3.58Å; Y65-W417 AromaticContact CD2-NE1 3.64Å; Y65-W417 AromaticContact CE2-CD1 3.9Å; Y65-W417 HydrophobicContact CE2-CD2 4.41Å; Y65-W417 HydrophobicContact CE2-CG 4.39Å; Y65-W417 AromaticContact CE2-NE1 3.68Å; Y65-W417 HydrophobicContact CG-CG 4.32Å; L66-W417 HydrophobicContact CD2-CD2 4.45Å; L66-W417 HydrophobicContact CD2-CE3 4.43Å; L66-W417 HydrophobicContact CD2-CH2 3.48Å; L66-W417 VanDerWaalsContact CD2-CH2 3.48Å; L66-W417 HydrophobicContact CD2-CZ2 3.47Å; L66-W417 VanDerWaalsContact CD2-CZ2 3.47Å; L66-W417 HydrophobicContact CD2-CZ3 3.97Å; T69-W417 HydrophobicContact CG2-CE3 4.2Å; T69-W417 HydrophobicContact CG2-CZ3 3.73Å; T69-W417 VanDerWaalsContact OG1-CE3 3.27Å; S385-W417 VanDerWaalsContact CB-CD1 3.49Å; P388-W417 HydrophobicContact CB-CB 3.94Å; P388-W417 PolarHBondContact O-N 3.01Å; N415-W417 VanDerWaalsContact C-N 3.35Å; N415-W417 PolarHBondContact OD1-N 2.86Å; W417-I419 VanDerWaalsContact C-N 3.32Å; W417-I419 PolarHBondContact O-N 3.09Å; W417-N420 PolarHBondContact O-N 3.26Å; W417-H421 AromaticContact CD1-CE1 3.9Å; W417-H421 AromaticContact CD1-ND1 3.93Å; W417-H421 HydrophobicContact CD2-CB 4.39Å; W417-H421 AromaticContact CD2-ND1 3.64Å; W417-H421 AromaticContact CE2-CE1 3.71Å; W417-H421 AromaticContact CE2-CG 3.75Å; W417-H421 AromaticContact CE2-ND1 3.48Å; W417-H421 HydrophobicContact CE3-CB 4.11Å; W417-H421 AromaticContact CG-ND1 3.91Å; W417-H421 HydrophobicContact CH2-CB 3.83Å; W417-H421 AromaticContact CH2-CG 3.91Å; W417-H421 HydrophobicContact CZ2-CB 4.12Å; W417-H421 AromaticContact CZ2-CD2 3.79Å; W417-H421 AromaticContact CZ2-CG 3.67Å; W417-H421 AromaticContact CZ2-ND1 3.91Å; W417-H421 HydrophobicContact CZ3-CB 3.82Å; W417-H421 AromaticContact NE1-CE1 3.46Å; W417-H421 PolarHBondContact NE1-CE1 3.09Å; W417-H421 AromaticContact NE1-ND1 3.64Å; W417-H421 AromaticContact NE1-NE2 3.99Å; W417-H421 WeakPolarHBondContact O-CB 3.39Å; W417-H421 PolarHBondContact O-N 3.25Å; W417-H421 PolarHBondContact O-ND1 3.01Å
418	Q	98.7	Very high	97.8	Very high	11 Å²	11	41.8 Å²	41.8	5%	0.051	20%	0.203	C	C	.	.	H	α-helix	trans	-57.7	-45.6	177.9	-174.5	-81	-27.5	0	0	111.3	T69 N415 Q416 N420 H421 D422	T69-Q418 HydrophobicContact CG2-CB 4.09Å; T69-Q418 HydrophobicContact CG2-CG 3.66Å; T69-Q418 WeakPolarHBondContact OG1-CB 3.22Å; N415-Q418 HydrophobicContact CB-CB 4.07Å; N415-Q418 VanDerWaalsContact CG-CB 3.5Å; N415-Q418 PolarHBondContact OD1-N 3.28Å; Q416-Q418 VanDerWaalsContact C-N 3.33Å; Q416-Q418 PolarHBondContact O-N 3.28Å; Q418-N420 PolarHBondContact O-N 2.96Å; Q418-H421 CarbonylContact O-C 3.51Å; Q418-H421 PolarHBondContact O-N 3.06Å; Q418-D422 PolarHBondContact NE2-OD2 2.99Å; Q418-D422 WeakPolarHBondContact O-CA 3.25Å; Q418-D422 WeakPolarHBondContact O-CB 3.33Å; Q418-D422 PolarHBondContact O-N 2.99Å
419	I	98.7	Very high	97.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-63.6	-44.1	-179	-69.6	169.9	0	0	0	110.5	Y94 V97 Q416 W417 H421 D422 L425 W426 L454	Y94-I419 HydrophobicContact CD2-CG2 4.14Å; V97-I419 HydrophobicContact CB-CD1 4Å; V97-I419 HydrophobicContact CG1-CD1 4.38Å; V97-I419 HydrophobicContact CG2-CD1 3.77Å; Q416-I419 PolarHBondContact O-N 3.14Å; W417-I419 VanDerWaalsContact C-N 3.32Å; W417-I419 PolarHBondContact O-N 3.09Å; I419-H421 PolarHBondContact O-N 3.12Å; I419-D422 PolarHBondContact O-N 3.07Å; I419-L425 HydrophobicContact CG2-CD1 4.05Å; I419-W426 VanDerWaalsContact O-CD1 3.32Å; I419-W426 PolarHBondContact O-NE1 3.48Å; I419-L454 HydrophobicContact CD1-CD2 3.56Å; I419-L454 HydrophobicContact CG2-CB 4.18Å
420	N	98.8	Very high	97.9	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-71.6	-12.5	-179.8	-68	-17.9	0	0	0	113.9	R382 S385 Q416 W417 Q418 W426 L454	R382-N420 WeakPolarHBondContact CD-O 3.42Å; R382-N420 HydrophobicContact CG-CB 3.81Å; R382-N420 VanDerWaalsContact CG-O 3.23Å; R382-N420 WeakPolarHBondContact CG-O 3.31Å; R382-N420 PolarHBondContact NH1-O 3.33Å; R382-N420 WeakPolarHBondContact O-CB 3.27Å; S385-N420 WeakPolarHBondContact OG-CB 3.18Å; S385-N420 PolarHBondContact OG-ND2 3.21Å; Q416-N420 PolarHBondContact O-N 3.14Å; Q416-N420 PolarHBondContact O-ND2 2.84Å; W417-N420 PolarHBondContact O-N 3.26Å; Q418-N420 PolarHBondContact O-N 2.96Å; N420-W426 VanDerWaalsContact C-CD1 3.46Å; N420-W426 VanDerWaalsContact O-CD1 3.24Å; N420-W426 PolarHBondContact O-NE1 2.96Å; N420-L454 PolarHBondContact ND2-O 3.36Å; N420-L454 PolarHBondContact OD1-N 3.02Å
421	H	98.6	Very high	97.9	Very high	18 Å²	18	40.3 Å²	40.3	8%	0.083	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.9	12.1	179.4	-65.1	80.5	0	0	0	113	R382 H383 S385 W417 Q418 I419 P423 P429	R382-H421 PolarHBondContact O-CE1 3.38Å; H383-H421 PolarHBondContact O-CE1 2.64Å; H383-H421 VanDerWaalsContact O-CE1 3.29Å; H383-H421 PolarHBondContact O-NE2 2.72Å; H383-H421 VanDerWaalsContact O-NE2 3.17Å; S385-H421 PolarHBondContact OG-CE1 3.1Å; W417-H421 AromaticContact CD1-CE1 3.9Å; W417-H421 AromaticContact CD1-ND1 3.93Å; W417-H421 HydrophobicContact CD2-CB 4.39Å; W417-H421 AromaticContact CD2-ND1 3.64Å; W417-H421 AromaticContact CE2-CE1 3.71Å; W417-H421 AromaticContact CE2-CG 3.75Å; W417-H421 AromaticContact CE2-ND1 3.48Å; W417-H421 HydrophobicContact CE3-CB 4.11Å; W417-H421 AromaticContact CG-ND1 3.91Å; W417-H421 HydrophobicContact CH2-CB 3.83Å; W417-H421 AromaticContact CH2-CG 3.91Å; W417-H421 HydrophobicContact CZ2-CB 4.12Å; W417-H421 AromaticContact CZ2-CD2 3.79Å; W417-H421 AromaticContact CZ2-CG 3.67Å; W417-H421 AromaticContact CZ2-ND1 3.91Å; W417-H421 HydrophobicContact CZ3-CB 3.82Å; W417-H421 AromaticContact NE1-CE1 3.46Å; W417-H421 PolarHBondContact NE1-CE1 3.09Å; W417-H421 AromaticContact NE1-ND1 3.64Å; W417-H421 AromaticContact NE1-NE2 3.99Å; W417-H421 WeakPolarHBondContact O-CB 3.39Å; W417-H421 PolarHBondContact O-N 3.25Å; W417-H421 PolarHBondContact O-ND1 3.01Å; Q418-H421 CarbonylContact O-C 3.51Å; Q418-H421 PolarHBondContact O-N 3.06Å; I419-H421 PolarHBondContact O-N 3.12Å; H421-P423 VanDerWaalsContact O-CD 3.3Å; H421-P423 WeakPolarHBondContact O-CD 3.46Å; H421-P429 HydrophobicContact CB-CB 4.29Å; H421-P429 PolarHBondContact CD2-O 3.42Å; H421-P429 WeakPolarHBondContact O-CB 3.45Å
422	D	98.3	Very high	97.9	Very high	15 Å²	15	40.7 Å²	40.7	8%	0.08	21%	0.214	C	C	.	.			trans	-69.8	117	179.7	-167.5	-24.2	0	0	0	109.6	Q418 I419 K424 L425 W426	Q418-D422 PolarHBondContact NE2-OD2 2.99Å; Q418-D422 WeakPolarHBondContact O-CA 3.25Å; Q418-D422 WeakPolarHBondContact O-CB 3.33Å; Q418-D422 PolarHBondContact O-N 2.99Å; I419-D422 PolarHBondContact O-N 3.07Å; D422-K424 PolarHBondContact O-N 3.42Å; D422-K424 VanDerWaalsContact O-N 3.07Å; D422-K424 VanDerWaalsContact OD1-CB 3.3Å; D422-K424 WeakPolarHBondContact OD1-CB 3.45Å; D422-K424 WeakPolarHBondContact OD1-CG 3.46Å; D422-K424 PolarHBondContact OD1-N 2.74Å; D422-L425 HydrophobicContact CB-CB 4.29Å; D422-L425 HydrophobicContact CB-CD1 4.17Å; D422-L425 HydrophobicContact CB-CG 4.19Å; D422-L425 PolarHBondContact O-N 3.13Å; D422-W426 PolarHBondContact O-N 3.39Å
423	P	97	Very high	97.9	Very high	93 Å²	93	44.4 Å²	44.4	60%	0.604	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-12.8	178.3	27.3	-35.8	0	0	0	113.5	H421 P429	H421-P423 VanDerWaalsContact O-CD 3.3Å; H421-P423 WeakPolarHBondContact O-CD 3.46Å; P423-P429 HydrophobicContact CB-CG 4.48Å
424	K	96.2	Very high	97.8	Very high	179 Å²	179	44.6 Å²	44.6	78%	0.778	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-23.8	171.1	-60.9	174.6	-176.3	170.7	0	112.9	D422	D422-K424 PolarHBondContact O-N 3.42Å; D422-K424 VanDerWaalsContact O-N 3.07Å; D422-K424 VanDerWaalsContact OD1-CB 3.3Å; D422-K424 WeakPolarHBondContact OD1-CB 3.45Å; D422-K424 WeakPolarHBondContact OD1-CG 3.46Å; D422-K424 PolarHBondContact OD1-N 2.74Å
425	L	96.6	Very high	97.7	Very high	51 Å²	51	48.2 Å²	48.2	27%	0.267	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-34.5	179.8	-64.7	177.9	0	0	0	111.9	I419 D422	I419-L425 HydrophobicContact CG2-CD1 4.05Å; D422-L425 HydrophobicContact CB-CB 4.29Å; D422-L425 HydrophobicContact CB-CD1 4.17Å; D422-L425 HydrophobicContact CB-CG 4.19Å; D422-L425 PolarHBondContact O-N 3.13Å
426	W	97.4	Very high	97.5	Very high	5 Å²	5	50.3 Å²	50.3	2%	0.019	26%	0.262	C	S	.	.	S	Bend	trans	-126.1	125.6	-169.9	-50.6	105.5	0	0	0	111.1	R382 I419 N420 D422 P429 F437 E449 K452 V453	R382-W426 HydrophobicContact CG-CD2 4.48Å; R382-W426 HydrophobicContact CG-CZ2 4.23Å; I419-W426 VanDerWaalsContact O-CD1 3.32Å; I419-W426 PolarHBondContact O-NE1 3.48Å; N420-W426 VanDerWaalsContact C-CD1 3.46Å; N420-W426 VanDerWaalsContact O-CD1 3.24Å; N420-W426 PolarHBondContact O-NE1 2.96Å; D422-W426 PolarHBondContact O-N 3.39Å; W426-P429 HydrophobicContact CB-CB 4.22Å; W426-F437 AromaticContact CH2-CE1 3.75Å; W426-F437 HydrophobicContact CH2-CE1 3.75Å; W426-F437 AromaticContact CH2-CZ 3.82Å; W426-F437 HydrophobicContact CH2-CZ 3.82Å; W426-F437 AromaticContact CZ3-CE1 3.52Å; W426-F437 HydrophobicContact CZ3-CE1 3.52Å; W426-F437 AromaticContact CZ3-CZ 3.61Å; W426-F437 HydrophobicContact CZ3-CZ 3.61Å; W426-E449 WeakPolarHBondContact CH2-O 3.34Å; W426-K452 HydrophobicContact CH2-CB 3.77Å; W426-K452 HydrophobicContact CZ2-CB 3.78Å; W426-V453 HydrophobicContact CH2-CG2 3.64Å; W426-V453 HydrophobicContact CZ2-CG2 4.09Å
427	K	96	Very high	97.5	Very high	167 Å²	167	50.1 Å²	50.1	73%	0.726	26%	0.261	S	S	*	.	S	Bend	trans	-68.3	134.5	167.1	-174.9	-177.7	174.3	-172.8	0	110	R436	K427-R436 VanDerWaalsContact O-CZ 3.24Å; K427-R436 PolarHBondContact O-NH1 3.24Å; K427-R436 PolarHBondContact O-NH2 3.22Å
428	D	97.1	Very high	97.3	Very high	88 Å²	88	49.3 Å²	49.3	47%	0.471	26%	0.26	S	S	.	.	S	Bend	trans	47	61.1	178.9	-54.7	-41.4	0	0	0	112.7	S430 S431 R436	D428-S430 PolarHBondContact O-N 3.21Å; D428-S430 VanDerWaalsContact O-N 3.1Å; D428-S431 PolarHBondContact O-N 3.06Å; D428-R436 PolarHBondContact O-NH2 2.77Å; D428-R436 VanDerWaalsContact O-NH2 3.15Å
429	P	97.6	Very high	97.1	Very high	23 Å²	23	50.6 Å²	50.6	15%	0.149	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-23.1	-169	22.9	-32.8	0	0	0	113.9	R382 H421 P423 W426	R382-P429 PolarHBondContact NH1-O 2.84Å; R382-P429 PolarHBondContact NH2-O 3.17Å; H421-P429 HydrophobicContact CB-CB 4.29Å; H421-P429 PolarHBondContact CD2-O 3.42Å; H421-P429 WeakPolarHBondContact O-CB 3.45Å; P423-P429 HydrophobicContact CB-CG 4.48Å; W426-P429 HydrophobicContact CB-CB 4.22Å
430	S	97.3	Very high	96.6	Very high	99 Å²	99	59.3 Å²	59.3	69%	0.692	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-2.6	179.4	-55.4	0	0	0	0	114.2	H383 D428	H383-S430 PolarHBondContact NE2-O 3.35Å; H383-S430 VanDerWaalsContact NE2-O 3.1Å; D428-S430 PolarHBondContact O-N 3.21Å; D428-S430 VanDerWaalsContact O-N 3.1Å
431	S	97.7	Very high	96.1	Very high	53 Å²	53	64.6 Å²	64.6	37%	0.371	34%	0.342	S	S	.	.	S	Bend	trans	-96.9	139.4	175.9	-62.9	0	0	0	0	110	E379 R382 D428 L433	E379-S431 VanDerWaalsContact OE1-O 3.05Å; R382-S431 PolarHBondContact NH2-O 3.21Å; D428-S431 PolarHBondContact O-N 3.06Å; S431-L433 PolarHBondContact O-N 3.29Å
432	F	98.3	Very high	95.5	Very high	8 Å²	8	65.4 Å²	65.4	4%	0.035	36%	0.356	C	S	.	.			trans	-86.5	104.5	171.8	-175.5	-102.2	0	0	0	109.4	Y337 Y341 F376 E379 H383 P434	Y337-F432 HydrophobicContact CD1-CB 4.28Å; Y337-F432 AromaticContact CD1-CD1 3.81Å; Y337-F432 HydrophobicContact CD1-CD1 3.81Å; Y337-F432 AromaticContact CD1-CD2 3.44Å; Y337-F432 HydrophobicContact CD1-CD2 3.44Å; Y337-F432 VanDerWaalsContact CD1-CD2 3.44Å; Y337-F432 AromaticContact CD1-CE1 3.95Å; Y337-F432 HydrophobicContact CD1-CE1 3.95Å; Y337-F432 AromaticContact CD1-CE2 3.59Å; Y337-F432 HydrophobicContact CD1-CE2 3.59Å; Y337-F432 AromaticContact CD1-CG 3.56Å; Y337-F432 HydrophobicContact CD1-CG 3.56Å; Y337-F432 AromaticContact CD1-CZ 3.86Å; Y337-F432 HydrophobicContact CD1-CZ 3.86Å; Y337-F432 HydrophobicContact CD2-CE2 4.32Å; Y337-F432 HydrophobicContact CE1-CB 4.12Å; Y337-F432 HydrophobicContact CE1-CD1 4.44Å; Y337-F432 AromaticContact CE1-CD2 3.38Å; Y337-F432 HydrophobicContact CE1-CD2 3.38Å; Y337-F432 AromaticContact CE1-CE2 3.85Å; Y337-F432 HydrophobicContact CE1-CE2 3.85Å; Y337-F432 AromaticContact CE1-CG 3.72Å; Y337-F432 HydrophobicContact CE1-CG 3.72Å; Y337-F432 HydrophobicContact CG-CD2 4.22Å; Y337-F432 HydrophobicContact CG-CE1 4.28Å; Y337-F432 AromaticContact CG-CE2 3.9Å; Y337-F432 HydrophobicContact CG-CE2 3.9Å; Y337-F432 AromaticContact CG-CZ 3.94Å; Y337-F432 HydrophobicContact CG-CZ 3.94Å; Y341-F432 AromaticContact CD2-CD1 3.79Å; Y341-F432 HydrophobicContact CD2-CD1 3.79Å; Y341-F432 HydrophobicContact CD2-CE1 4.39Å; Y341-F432 HydrophobicContact CD2-CG 4.43Å; Y341-F432 HydrophobicContact CE1-CB 4.34Å; Y341-F432 HydrophobicContact CE2-CB 3.9Å; Y341-F432 AromaticContact CE2-CD1 3.89Å; Y341-F432 HydrophobicContact CE2-CD1 3.89Å; Y341-F432 HydrophobicContact CE2-CG 4.09Å; Y341-F432 HydrophobicContact CG-CD1 4.15Å; F376-F432 AromaticContact CD2-CE1 3.91Å; F376-F432 HydrophobicContact CD2-CE1 3.91Å; F376-F432 AromaticContact CD2-CZ 3.6Å; F376-F432 HydrophobicContact CD2-CZ 3.6Å; F376-F432 AromaticContact CE2-CE1 3.79Å; F376-F432 HydrophobicContact CE2-CE1 3.79Å; F376-F432 AromaticContact CE2-CZ 3.5Å; F376-F432 HydrophobicContact CE2-CZ 3.5Å; F376-F432 HydrophobicContact CZ-CZ 4.39Å; E379-F432 HydrophobicContact CB-CD2 4.46Å; E379-F432 HydrophobicContact CB-CE2 4Å; E379-F432 HydrophobicContact CB-CZ 4.44Å; E379-F432 HydrophobicContact CG-CD2 3.56Å; E379-F432 HydrophobicContact CG-CE2 3.58Å; E379-F432 HydrophobicContact CG-CG 4.2Å; E379-F432 HydrophobicContact CG-CZ 4.24Å; H383-F432 HydrophobicContact CB-CD2 3.89Å; F432-P434 HydrophobicContact CD1-CG 4.39Å; F432-P434 HydrophobicContact CE1-CG 3.79Å; F432-P434 HydrophobicContact CZ-CG 4.18Å
433	L	96.8	Very high	95.1	Very high	78 Å²	78	68.8 Å²	68.8	41%	0.408	38%	0.377	S	S	.	.			trans	-133.8	91.3	-174.4	-63.3	172.8	0	0	0	110.1	E379 S431 D435 R436	E379-L433 PolarHBondContact OE1-N 2.85Å; S431-L433 PolarHBondContact O-N 3.29Å; L433-D435 PolarHBondContact O-N 3.43Å; L433-R436 WeakPolarHBondContact O-CB 3.39Å; L433-R436 PolarHBondContact O-N 3.25Å; L433-R436 VanDerWaalsContact O-N 3.14Å
434	P	97.4	Very high	95	Very high	4 Å²	4	70.5 Å²	70.5	3%	0.026	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-52.3	-40.6	177	-29.8	37.3	0	0	0	113	V344 L372 S375 F376 F432 R436 F437	V344-P434 HydrophobicContact CG1-CG 3.86Å; V344-P434 HydrophobicContact CG2-CG 4.42Å; L372-P434 HydrophobicContact CD1-CB 4.27Å; S375-P434 WeakPolarHBondContact CB-O 3.48Å; F376-P434 HydrophobicContact CB-CB 4.29Å; F376-P434 HydrophobicContact CB-CG 4.43Å; F376-P434 HydrophobicContact CD2-CG 4.14Å; F432-P434 HydrophobicContact CD1-CG 4.39Å; F432-P434 HydrophobicContact CE1-CG 3.79Å; F432-P434 HydrophobicContact CZ-CG 4.18Å; P434-R436 PolarHBondContact O-N 3.06Å; P434-F437 PolarHBondContact O-N 3.14Å; P434-F437 VanDerWaalsContact O-N 3.08Å
435	D	96.1	Very high	94.9	Very high	76 Å²	76	63.5 Å²	63.5	41%	0.406	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-58.7	-15.5	-177.4	-57.3	-7.4	0	0	0	113.8	R347 L433 F437 L438	R347-D435 IonicContact CZ-OD1 2.88Å; R347-D435 IonicContact CZ-OD2 3.8Å; R347-D435 IonicContact NH1-OD1 3.27Å; R347-D435 PolarHBondContact NH1-OD1 3.08Å; R347-D435 VanDerWaalsContact NH1-OD1 3.11Å; R347-D435 IonicContact NH1-OD2 3.62Å; R347-D435 PolarHBondContact NH1-OD2 3.08Å; R347-D435 IonicContact NH2-OD1 2.67Å; R347-D435 PolarHBondContact NH2-OD1 2.98Å; R347-D435 IonicContact NH2-OD2 3.07Å; R347-D435 PolarHBondContact NH2-OD2 3.46Å; L433-D435 PolarHBondContact O-N 3.43Å; D435-F437 PolarHBondContact O-N 3.49Å; D435-F437 VanDerWaalsContact O-N 3.15Å; D435-L438 HydrophobicContact CB-CD1 4.38Å; D435-L438 PolarHBondContact O-N 3.38Å; D435-L438 VanDerWaalsContact O-N 3.09Å
436	R	95.8	Very high	94.8	Very high	44 Å²	44	63.6 Å²	63.6	17%	0.166	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-51.7	-33.5	171.5	179.4	-167.2	-60.2	-79.8	-0.6	113	E379 K427 D428 L433 P434	E379-R436 IonicContact OE1-CZ 3.59Å; E379-R436 IonicContact OE1-NE 3.34Å; E379-R436 PolarHBondContact OE1-NE 3.43Å; E379-R436 IonicContact OE1-NH2 3.27Å; E379-R436 WeakPolarHBondContact OE2-CD 3.44Å; E379-R436 IonicContact OE2-NE 2.93Å; E379-R436 PolarHBondContact OE2-NE 3.02Å; E379-R436 VanDerWaalsContact OE2-NE 3.07Å; K427-R436 VanDerWaalsContact O-CZ 3.24Å; K427-R436 PolarHBondContact O-NH1 3.24Å; K427-R436 PolarHBondContact O-NH2 3.22Å; D428-R436 PolarHBondContact O-NH2 2.77Å; D428-R436 VanDerWaalsContact O-NH2 3.15Å; L433-R436 WeakPolarHBondContact O-CB 3.39Å; L433-R436 PolarHBondContact O-N 3.25Å; L433-R436 VanDerWaalsContact O-N 3.14Å; P434-R436 PolarHBondContact O-N 3.06Å
437	F	97.6	Very high	94.5	Very high	0 Å²	0	70.6 Å²	70.6	0%	0	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-100.3	5.1	-176.2	-64	-71.1	0	0	0	113.4	L378 E379 R382 W426 P434 D435 V445 N446 E449 V453	L378-F437 HydrophobicContact CB-CB 4.42Å; L378-F437 HydrophobicContact CB-CD1 4.22Å; L378-F437 HydrophobicContact CB-CD2 3.51Å; L378-F437 HydrophobicContact CB-CE1 4.37Å; L378-F437 HydrophobicContact CB-CE2 3.69Å; L378-F437 HydrophobicContact CB-CG 3.78Å; L378-F437 HydrophobicContact CB-CZ 4.13Å; L378-F437 HydrophobicContact CD1-CB 3.93Å; L378-F437 HydrophobicContact CD1-CD1 3.99Å; L378-F437 HydrophobicContact CD1-CD2 4.46Å; L378-F437 HydrophobicContact CD1-CG 3.87Å; E379-F437 HydrophobicContact CB-CD2 4.17Å; E379-F437 HydrophobicContact CB-CE2 4Å; E379-F437 VanDerWaalsContact OE2-CE2 3.28Å; E379-F437 WeakPolarHBondContact OE2-CE2 3.48Å; R382-F437 HydrophobicContact CB-CZ 4.44Å; W426-F437 AromaticContact CH2-CE1 3.75Å; W426-F437 HydrophobicContact CH2-CE1 3.75Å; W426-F437 AromaticContact CH2-CZ 3.82Å; W426-F437 HydrophobicContact CH2-CZ 3.82Å; W426-F437 AromaticContact CZ3-CE1 3.52Å; W426-F437 HydrophobicContact CZ3-CE1 3.52Å; W426-F437 AromaticContact CZ3-CZ 3.61Å; W426-F437 HydrophobicContact CZ3-CZ 3.61Å; P434-F437 PolarHBondContact O-N 3.14Å; P434-F437 VanDerWaalsContact O-N 3.08Å; D435-F437 PolarHBondContact O-N 3.49Å; D435-F437 VanDerWaalsContact O-N 3.15Å; F437-V445 CarbonylContact O-C 3.59Å; F437-V445 WeakPolarHBondContact O-CA 3.5Å; F437-N446 PolarHBondContact O-N 2.86Å; F437-E449 HydrophobicContact CD1-CB 3.94Å; F437-E449 HydrophobicContact CE1-CB 4.14Å; F437-V453 HydrophobicContact CE1-CG2 3.65Å; F437-V453 HydrophobicContact CE2-CG2 4.38Å; F437-V453 HydrophobicContact CZ-CG2 3.37Å
438	L	96.3	Very high	94.2	Very high	23 Å²	23	68.5 Å²	68.5	12%	0.12	38%	0.376	C	S	.	.	B	Isolated β-bridge	trans	-84.5	152.9	168.8	-64.5	173.9	0	0	0	110	P371 L372 S375 D435 E444	P371-L438 HydrophobicContact CB-CD2 3.99Å; L372-L438 HydrophobicContact CD1-CD1 4.1Å; S375-L438 VanDerWaalsContact OG-CD2 3.27Å; S375-L438 WeakPolarHBondContact OG-CD2 3.46Å; D435-L438 HydrophobicContact CB-CD1 4.38Å; D435-L438 PolarHBondContact O-N 3.38Å; D435-L438 VanDerWaalsContact O-N 3.09Å; L438-E444 CarbonylContact C-O 3.55Å; L438-E444 WeakPolarHBondContact CA-O 2.98Å
439	N	92.6	Very high	94	Very high	39 Å²	39	66.7 Å²	66.7	21%	0.209	37%	0.365	C	S	.	.			trans	-71.3	172.7	165	66	-14.6	0	0	0	110.9	D441 G442 T443 E444	N439-D441 PolarHBondContact ND2-OD1 3.42Å; N439-D441 PolarHBondContact O-N 3.35Å; N439-D441 VanDerWaalsContact O-N 3.14Å; N439-D441 PolarHBondContact OD1-OD1 3.28Å; N439-G442 PolarHBondContact O-N 3.47Å; N439-G442 PolarHBondContact OD1-N 2.91Å; N439-G442 VanDerWaalsContact OD1-N 3.17Å; N439-T443 PolarHBondContact OD1-N 3.41Å; N439-E444 PolarHBondContact N-O 3.5Å; N439-E444 PolarHBondContact OD1-N 3.19Å; N439-E444 PolarHBondContact OD1-O 3.04Å; N439-E444 VanDerWaalsContact OD1-O 3.1Å
440	D	88.3	Confident	93.8	Very high	183 Å²	183	66 Å²	66	98%	0.979	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-25.8	-172.3	-66.1	-25.3	0	0	0	114.1
441	D	88.8	Confident	93.6	Very high	110 Å²	110	67.7 Å²	67.7	59%	0.588	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-5.4	177.4	64.5	26.5	0	0	0	113.8	N439 T443	N439-D441 PolarHBondContact ND2-OD1 3.42Å; N439-D441 PolarHBondContact O-N 3.35Å; N439-D441 VanDerWaalsContact O-N 3.14Å; N439-D441 PolarHBondContact OD1-OD1 3.28Å; D441-T443 VanDerWaalsContact C-N 3.28Å; D441-T443 HydrophobicContact CB-CG2 4.43Å; D441-T443 VanDerWaalsContact CG-OG1 3.24Å; D441-T443 PolarHBondContact O-N 3.42Å; D441-T443 VanDerWaalsContact OD1-CB 3.31Å; D441-T443 WeakPolarHBondContact OD1-CB 3.35Å; D441-T443 WeakPolarHBondContact OD1-CG2 3.2Å; D441-T443 PolarHBondContact OD1-N 2.9Å; D441-T443 PolarHBondContact OD1-OG1 3.5Å; D441-T443 PolarHBondContact OD2-OG1 3.05Å
442	G	87.3	Confident	93.5	Very high	36 Å²	36	67.7 Å²	67.7	37%	0.371	35%	0.352	S	S	.	.	S	Bend	trans	75.1	8.7	179	0	0	0	0	0	115.3	N439	N439-G442 PolarHBondContact O-N 3.47Å; N439-G442 PolarHBondContact OD1-N 2.91Å; N439-G442 VanDerWaalsContact OD1-N 3.17Å
443	T	89.8	Confident	93.5	Very high	85 Å²	85	67.9 Å²	67.9	52%	0.521	35%	0.353	S	S	.	.	S	Bend	trans	-97.5	-20.5	-172.2	66.1	0	0	0	0	114.4	P371 N439 D441	P371-T443 WeakPolarHBondContact CG-O 3.07Å; N439-T443 PolarHBondContact OD1-N 3.41Å; D441-T443 VanDerWaalsContact C-N 3.28Å; D441-T443 HydrophobicContact CB-CG2 4.43Å; D441-T443 VanDerWaalsContact CG-OG1 3.24Å; D441-T443 PolarHBondContact O-N 3.42Å; D441-T443 VanDerWaalsContact OD1-CB 3.31Å; D441-T443 WeakPolarHBondContact OD1-CB 3.35Å; D441-T443 WeakPolarHBondContact OD1-CG2 3.2Å; D441-T443 PolarHBondContact OD1-N 2.9Å; D441-T443 PolarHBondContact OD1-OG1 3.5Å; D441-T443 PolarHBondContact OD2-OG1 3.05Å
444	E	93.8	Very high	93.6	Very high	130 Å²	130	64.5 Å²	64.5	61%	0.607	34%	0.336	S	S	*	.	S	Bend	trans	-136.5	154.3	-178.1	-61.5	-172.3	155	0	0	112.1	L438 N439	L438-E444 CarbonylContact C-O 3.55Å; L438-E444 WeakPolarHBondContact CA-O 2.98Å; N439-E444 PolarHBondContact N-O 3.5Å; N439-E444 PolarHBondContact OD1-N 3.19Å; N439-E444 PolarHBondContact OD1-O 3.04Å; N439-E444 VanDerWaalsContact OD1-O 3.1Å
445	V	95.4	Very high	93.6	Very high	32 Å²	32	64.4 Å²	64.4	19%	0.194	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-75.3	127.2	172.5	-175	0	0	0	0	110	P371 E374 L378 F437 K447	P371-V445 HydrophobicContact CB-CG2 4.07Å; P371-V445 WeakPolarHBondContact O-CG2 3.39Å; E374-V445 HydrophobicContact CB-CG2 3.61Å; E374-V445 HydrophobicContact CG-CG2 4.5Å; L378-V445 HydrophobicContact CD1-CG1 3.69Å; F437-V445 CarbonylContact O-C 3.59Å; F437-V445 WeakPolarHBondContact O-CA 3.5Å; V445-K447 VanDerWaalsContact C-N 3.33Å; V445-K447 PolarHBondContact O-N 3.27Å
446	N	94.1	Very high	93.7	Very high	53 Å²	53	61.9 Å²	61.9	28%	0.283	32%	0.321	S	S	.	.			trans	-70.1	88.2	167.2	-171.7	-24.7	0	0	0	110.5	F437 L448 E449 G450	F437-N446 PolarHBondContact O-N 2.86Å; N446-L448 PolarHBondContact O-N 2.99Å; N446-L448 PolarHBondContact OD1-N 3.14Å; N446-E449 HydrophobicContact CB-CB 4.36Å; N446-E449 HydrophobicContact CB-CG 4.4Å; N446-E449 PolarHBondContact O-N 2.83Å; N446-E449 PolarHBondContact OD1-N 3.45Å; N446-G450 PolarHBondContact O-N 3.45Å
447	K	90.1	Very high	93.8	Very high	152 Å²	152	60.1 Å²	60.1	66%	0.661	32%	0.316	S	S	*	.	H	α-helix	trans	-58.8	-33.2	-178.6	-65.3	177.4	-176.6	171.3	0	113	V445 G450 E451	V445-K447 VanDerWaalsContact C-N 3.33Å; V445-K447 PolarHBondContact O-N 3.27Å; K447-G450 PolarHBondContact O-N 3.44Å; K447-E451 WeakPolarHBondContact O-CG 3.46Å; K447-E451 PolarHBondContact O-N 3.31Å
448	L	91	Very high	93.8	Very high	123 Å²	123	61 Å²	61	64%	0.644	32%	0.321	S	S	*	.	H	α-helix	trans	-66.5	-40	179.6	-66.1	174.2	0	0	0	111.7	N446	N446-L448 PolarHBondContact O-N 2.99Å; N446-L448 PolarHBondContact OD1-N 3.14Å
449	E	91.7	Very high	93.8	Very high	50 Å²	50	61.4 Å²	61.4	23%	0.234	33%	0.33	C	S	.	.	H	α-helix	trans	-69.1	-41.1	171.6	-66.9	-55.9	137.4	0	0	111	W426 F437 N446 E451 K452	W426-E449 WeakPolarHBondContact CH2-O 3.34Å; F437-E449 HydrophobicContact CD1-CB 3.94Å; F437-E449 HydrophobicContact CE1-CB 4.14Å; N446-E449 HydrophobicContact CB-CB 4.36Å; N446-E449 HydrophobicContact CB-CG 4.4Å; N446-E449 PolarHBondContact O-N 2.83Å; N446-E449 PolarHBondContact OD1-N 3.45Å; E449-E451 VanDerWaalsContact C-N 3.28Å; E449-E451 PolarHBondContact O-N 2.92Å; E449-K452 WeakPolarHBondContact O-CB 3.46Å; E449-K452 PolarHBondContact O-N 3.05Å; E449-K452 IonicContact OE1-NZ 3.02Å; E449-K452 PolarHBondContact OE1-NZ 3.2Å; E449-K452 IonicContact OE2-NZ 3.03Å; E449-K452 PolarHBondContact OE2-NZ 3.49Å
450	G	93.7	Very high	94	Very high	7 Å²	7	65.5 Å²	65.5	7%	0.072	34%	0.343	C	S	.	.	H	α-helix	trans	-57.5	-36	176.1	0	0	0	0	0	114	N446 K447 K452 V453	N446-G450 PolarHBondContact O-N 3.45Å; K447-G450 PolarHBondContact O-N 3.44Å; G450-K452 PolarHBondContact O-N 2.99Å; G450-V453 WeakPolarHBondContact O-CB 3.35Å; G450-V453 PolarHBondContact O-N 3.27Å; G450-V453 VanDerWaalsContact O-N 3.16Å
451	E	93.4	Very high	94.4	Very high	135 Å²	135	58 Å²	58	63%	0.631	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-17.5	177	-78.3	-179.4	-173.3	0	0	114.3	K447 E449	K447-E451 WeakPolarHBondContact O-CG 3.46Å; K447-E451 PolarHBondContact O-N 3.31Å; E449-E451 VanDerWaalsContact C-N 3.28Å; E449-E451 PolarHBondContact O-N 2.92Å
452	K	95.9	Very high	94.8	Very high	54 Å²	54	57.5 Å²	57.5	24%	0.235	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-18.8	175.6	-58.8	176.1	-166.1	165.5	0	112.4	W426 E449 G450 L454	W426-K452 HydrophobicContact CH2-CB 3.77Å; W426-K452 HydrophobicContact CZ2-CB 3.78Å; E449-K452 WeakPolarHBondContact O-CB 3.46Å; E449-K452 PolarHBondContact O-N 3.05Å; E449-K452 IonicContact OE1-NZ 3.02Å; E449-K452 PolarHBondContact OE1-NZ 3.2Å; E449-K452 IonicContact OE2-NZ 3.03Å; E449-K452 PolarHBondContact OE2-NZ 3.49Å; G450-K452 PolarHBondContact O-N 2.99Å; K452-L454 PolarHBondContact O-N 3.06Å
453	V	98.3	Very high	95.4	Very high	11 Å²	11	58.5 Å²	58.5	7%	0.067	29%	0.291	C	S	.	.			trans	-68.6	112.1	176.3	-177.5	0	0	0	0	109.2	F381 R382 W426 F437 G450	F381-V453 HydrophobicContact CB-CG1 3.94Å; R382-V453 HydrophobicContact CB-CG1 4.01Å; R382-V453 HydrophobicContact CB-CG2 4.11Å; R382-V453 HydrophobicContact CG-CG2 4.47Å; W426-V453 HydrophobicContact CH2-CG2 3.64Å; W426-V453 HydrophobicContact CZ2-CG2 4.09Å; F437-V453 HydrophobicContact CE1-CG2 3.65Å; F437-V453 HydrophobicContact CE2-CG2 4.38Å; F437-V453 HydrophobicContact CZ-CG2 3.37Å; G450-V453 WeakPolarHBondContact O-CB 3.35Å; G450-V453 PolarHBondContact O-N 3.27Å; G450-V453 VanDerWaalsContact O-N 3.16Å
454	L	97.4	Very high	95.7	Very high	7 Å²	7	56 Å²	56	4%	0.037	27%	0.274	C	S	.	.			trans	-102.8	103.3	-177.1	-164.9	70.7	0	0	0	110.5	V97 Q416 I419 N420 K452 L458	V97-L454 HydrophobicContact CG1-CD2 4.13Å; Q416-L454 HydrophobicContact CB-CD2 4.42Å; Q416-L454 WeakPolarHBondContact CB-O 3.36Å; Q416-L454 HydrophobicContact CG-CD2 3.89Å; Q416-L454 HydrophobicContact CG-CG 4.08Å; I419-L454 HydrophobicContact CD1-CD2 3.56Å; I419-L454 HydrophobicContact CG2-CB 4.18Å; N420-L454 PolarHBondContact ND2-O 3.36Å; N420-L454 PolarHBondContact OD1-N 3.02Å; K452-L454 PolarHBondContact O-N 3.06Å; L454-L458 HydrophobicContact CD1-CD1 3.97Å; L454-L458 HydrophobicContact CD1-CD2 4.05Å; L454-L458 HydrophobicContact CD1-CG 3.59Å
455	I	97.8	Very high	95.9	Very high	3 Å²	3	50.6 Å²	50.6	2%	0.015	25%	0.254	C	S	.	.	S	Bend	trans	-133.8	-24.2	174.5	-161.2	167.4	0	0	0	113	F381 Y386 L387 Q416	F381-I455 HydrophobicContact CB-CB 4.44Å; F381-I455 HydrophobicContact CB-CD1 3.75Å; F381-I455 HydrophobicContact CB-CG2 4.1Å; F381-I455 HydrophobicContact CD1-CD1 3.87Å; F381-I455 HydrophobicContact CD2-CG2 4.07Å; F381-I455 HydrophobicContact CG-CD1 3.94Å; F381-I455 HydrophobicContact CG-CG2 4.09Å; Y386-I455 HydrophobicContact CD1-CD1 3.85Å; Y386-I455 HydrophobicContact CE1-CD1 3.48Å; Y386-I455 VanDerWaalsContact CE1-CD1 3.48Å; Y386-I455 HydrophobicContact CE2-CD1 4.38Å; Y386-I455 HydrophobicContact CG-CD1 4.41Å; L387-I455 HydrophobicContact CB-CG1 4.07Å; L387-I455 HydrophobicContact CD1-CG1 4.17Å; Q416-I455 PolarHBondContact NE2-O 3.28Å; Q416-I455 PolarHBondContact OE1-O 3.44Å
456	F	98.3	Very high	96	Very high	23 Å²	23	50.4 Å²	50.4	10%	0.101	25%	0.251	C	S	.	.	S	Bend	trans	-97.2	8.6	-178.9	-64	-73	0	0	0	113.8	F381 C463 E466 A469 R470	F381-F456 HydrophobicContact CD2-CE2 4.27Å; F381-F456 AromaticContact CE2-CE2 3.96Å; F381-F456 HydrophobicContact CE2-CE2 3.96Å; F381-F456 HydrophobicContact CE2-CZ 4.05Å; F381-F456 HydrophobicContact CZ-CZ 4.29Å; F456-C463 HydrophobicContact CB-CB 3.89Å; F456-C463 HydrophobicContact CD1-CB 3.81Å; F456-C463 HydrophobicContact CG-CB 4.33Å; F456-C463 PolarHBondContact O-N 3.02Å; F456-E466 HydrophobicContact CB-CB 4.36Å; F456-E466 HydrophobicContact CB-CG 4.25Å; F456-E466 HydrophobicContact CD1-CB 3.95Å; F456-E466 HydrophobicContact CD1-CG 4.05Å; F456-E466 HydrophobicContact CD2-CB 4.47Å; F456-E466 HydrophobicContact CD2-CG 3.7Å; F456-E466 HydrophobicContact CE1-CB 4.37Å; F456-E466 HydrophobicContact CE1-CG 4.34Å; F456-E466 HydrophobicContact CE2-CG 4.02Å; F456-E466 HydrophobicContact CG-CB 4.01Å; F456-E466 HydrophobicContact CG-CG 3.72Å; F456-E466 HydrophobicContact CZ-CG 4.33Å; F456-A469 HydrophobicContact CE1-CB 3.96Å; F456-A469 HydrophobicContact CZ-CB 4.26Å; F456-R470 HydrophobicContact CE2-CG 4.27Å; F456-R470 HydrophobicContact CZ-CG 4.29Å
457	G	97.4	Very high	96	Very high	7 Å²	7	52.5 Å²	52.5	7%	0.072	27%	0.265	C	S	.	.			trans	65.5	-171.1	-172.1	0	0	0	0	0	113.8
458	L	97.4	Very high	96.2	Very high	19 Å²	19	45.9 Å²	45.9	10%	0.099	24%	0.237	C	C	.	.			trans	-137.6	165.9	179.3	-69.1	175.8	0	0	0	112.2	V97 K98 L101 L454 R462	V97-L458 HydrophobicContact CG1-CD1 4.31Å; K98-L458 HydrophobicContact CB-CD1 4.37Å; L101-L458 HydrophobicContact CB-CB 3.91Å; L101-L458 HydrophobicContact CD1-CB 4.07Å; L454-L458 HydrophobicContact CD1-CD1 3.97Å; L454-L458 HydrophobicContact CD1-CD2 4.05Å; L454-L458 HydrophobicContact CD1-CG 3.59Å; L458-R462 PolarHBondContact O-N 3.02Å
459	G	96.9	Very high	96.6	Very high	30 Å²	30	40.4 Å²	40.4	31%	0.309	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	67.4	-145.1	167	0	0	0	0	0	115.2	L101 R461 R462	L101-G459 VanDerWaalsContact O-CA 3.23Å; L101-G459 WeakPolarHBondContact O-CA 3.03Å; G459-R461 PolarHBondContact O-N 3.32Å; G459-R462 WeakPolarHBondContact O-CB 3.33Å; G459-R462 PolarHBondContact O-N 3Å
460	R	96.8	Very high	96.8	Very high	126 Å²	126	40.2 Å²	40.2	48%	0.475	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-57.6	-35.1	-173.9	-63.5	-58.9	-165.7	-156.1	-4.8	113.2	D106 A109 W136 R140	D106-R460 IonicContact OD1-CZ 2.64Å; D106-R460 IonicContact OD1-NE 3.59Å; D106-R460 PolarHBondContact OD1-NE 3.08Å; D106-R460 IonicContact OD1-NH2 3.55Å; D106-R460 IonicContact OD2-CZ 2.75Å; D106-R460 IonicContact OD2-NE 2.67Å; D106-R460 IonicContact OD2-NH2 3.58Å; D106-R460 PolarHBondContact OD2-NH2 3.41Å; A109-R460 HydrophobicContact CB-CB 4.08Å; A109-R460 HydrophobicContact CB-CG 4.38Å; W136-R460 HydrophobicContact CH2-CB 4.17Å; W136-R460 VanDerWaalsContact CH2-O 3.29Å; W136-R460 WeakPolarHBondContact CH2-O 3.47Å; R140-R460 PolarHBondContact NE-O 3.48Å; R140-R460 PolarHBondContact NH2-O 2.93Å
461	R	97.5	Very high	97	Very high	26 Å²	26	41.3 Å²	41.3	10%	0.098	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-102.7	12.2	-175.1	-69.5	-83.2	-177.5	167.4	2.5	113.4	A109 L126 W136 G459	A109-R461 VanDerWaalsContact O-CZ 3.27Å; A109-R461 PolarHBondContact O-NE 3.13Å; A109-R461 PolarHBondContact O-NH2 3.26Å; L126-R461 PolarHBondContact O-NH1 2.97Å; W136-R461 VanDerWaalsContact CE2-CZ 3.44Å; W136-R461 HydrophobicContact CH2-CG 4.36Å; W136-R461 VanDerWaalsContact CZ2-CD 3.45Å; W136-R461 HydrophobicContact CZ2-CG 4.19Å; G459-R461 PolarHBondContact O-N 3.32Å
462	R	97.8	Very high	97.2	Very high	98 Å²	98	35 Å²	35	37%	0.37	18%	0.181	S	C	.	.			trans	-51	150.8	174	-170.7	172.2	-170.6	153.4	7.8	111.3	R140 L458 G459 I464 E466	R140-R462 VanDerWaalsContact CZ-O 3.28Å; R140-R462 PolarHBondContact NH1-O 2.77Å; R140-R462 PolarHBondContact NH2-O 2.66Å; L458-R462 PolarHBondContact O-N 3.02Å; G459-R462 WeakPolarHBondContact O-CB 3.33Å; G459-R462 PolarHBondContact O-N 3Å; R462-I464 PolarHBondContact O-N 2.99Å; R462-E466 IonicContact CZ-OE2 3.12Å; R462-E466 VanDerWaalsContact CZ-OE2 3.25Å; R462-E466 IonicContact NE-OE2 3.01Å; R462-E466 PolarHBondContact NE-OE2 3.11Å; R462-E466 IonicContact NH2-OE1 3.5Å; R462-E466 PolarHBondContact NH2-OE1 3.22Å; R462-E466 IonicContact NH2-OE2 2.76Å; R462-E466 PolarHBondContact NH2-OE2 3.08Å
463	C	98.4	Very high	97.4	Very high	58 Å²	58	32.5 Å²	32.5	39%	0.392	17%	0.17	S	C	.	.			trans	-54	133.1	175.5	-172.4	0	0	0	0	111.1	F456 G465 E466	F456-C463 HydrophobicContact CB-CB 3.89Å; F456-C463 HydrophobicContact CD1-CB 3.81Å; F456-C463 HydrophobicContact CG-CB 4.33Å; F456-C463 PolarHBondContact O-N 3.02Å; C463-G465 PolarHBondContact SG-N 2.83Å; C463-G465 VanDerWaalsContact SG-N 3.36Å; C463-E466 HydrophobicContact CB-CB 4.41Å
464	I	97.3	Very high	97.4	Very high	32 Å²	32	32 Å²	32	16%	0.164	17%	0.167	C	C	.	.	S	Bend	trans	-83.9	-20.6	174.5	56.5	175.5	0	0	0	112.6	R140 A143 Y144 L147 L319 R462	R140-I464 HydrophobicContact CG-CG2 4.17Å; A143-I464 HydrophobicContact CB-CD1 3.84Å; Y144-I464 HydrophobicContact CD2-CB 4Å; Y144-I464 HydrophobicContact CD2-CG2 4.22Å; L147-I464 HydrophobicContact CD1-CB 4.34Å; L147-I464 HydrophobicContact CD1-CD1 3.84Å; L147-I464 HydrophobicContact CD1-CG1 3.84Å; L319-I464 HydrophobicContact CD2-CD1 3.78Å; R462-I464 PolarHBondContact O-N 2.99Å
465	G	97.2	Very high	97.4	Very high	17 Å²	17	31.6 Å²	31.6	18%	0.175	17%	0.165	C	C	.	.	S	Bend	trans	-96.4	12.9	179.2	0	0	0	0	0	114.5	C463 V467 I468 A469	C463-G465 PolarHBondContact SG-N 2.83Å; C463-G465 VanDerWaalsContact SG-N 3.36Å; G465-V467 VanDerWaalsContact C-N 3.32Å; G465-V467 PolarHBondContact O-N 3.4Å; G465-I468 PolarHBondContact O-N 3.25Å; G465-I468 VanDerWaalsContact O-N 3.17Å; G465-A469 WeakPolarHBondContact O-CB 3.38Å; G465-A469 PolarHBondContact O-N 3.29Å
466	E	96.8	Very high	97.5	Very high	27 Å²	27	31.5 Å²	31.5	13%	0.126	17%	0.165	C	C	.	.	H	α-helix	trans	-54.8	-44.9	-175.1	173.9	170.3	-176.3	0	0	112.8	F456 R462 C463 R470	F456-E466 HydrophobicContact CB-CB 4.36Å; F456-E466 HydrophobicContact CB-CG 4.25Å; F456-E466 HydrophobicContact CD1-CB 3.95Å; F456-E466 HydrophobicContact CD1-CG 4.05Å; F456-E466 HydrophobicContact CD2-CB 4.47Å; F456-E466 HydrophobicContact CD2-CG 3.7Å; F456-E466 HydrophobicContact CE1-CB 4.37Å; F456-E466 HydrophobicContact CE1-CG 4.34Å; F456-E466 HydrophobicContact CE2-CG 4.02Å; F456-E466 HydrophobicContact CG-CB 4.01Å; F456-E466 HydrophobicContact CG-CG 3.72Å; F456-E466 HydrophobicContact CZ-CG 4.33Å; R462-E466 IonicContact CZ-OE2 3.12Å; R462-E466 VanDerWaalsContact CZ-OE2 3.25Å; R462-E466 IonicContact NE-OE2 3.01Å; R462-E466 PolarHBondContact NE-OE2 3.11Å; R462-E466 IonicContact NH2-OE1 3.5Å; R462-E466 PolarHBondContact NH2-OE1 3.22Å; R462-E466 IonicContact NH2-OE2 2.76Å; R462-E466 PolarHBondContact NH2-OE2 3.08Å; C463-E466 HydrophobicContact CB-CB 4.41Å; E466-R470 WeakPolarHBondContact O-CB 3.14Å; E466-R470 VanDerWaalsContact O-CG 3.3Å; E466-R470 WeakPolarHBondContact O-CG 3.35Å; E466-R470 PolarHBondContact O-N 2.83Å; E466-R470 IonicContact OE1-CZ 3.55Å; E466-R470 IonicContact OE1-NE 2.78Å; E466-R470 PolarHBondContact OE1-NE 2.97Å; E466-R470 VanDerWaalsContact OE1-NE 3.15Å; E466-R470 IonicContact OE1-NH2 2.8Å; E466-R470 PolarHBondContact OE1-NH2 3.08Å; E466-R470 VanDerWaalsContact OE1-NH2 3.09Å
467	V	94.2	Very high	97.5	Very high	97 Å²	97	30.4 Å²	30.4	59%	0.588	16%	0.16	S	C	*	.	H	α-helix	trans	-65.7	-43.4	-180	178	0	0	0	0	111.2	G465 R470 N471	G465-V467 VanDerWaalsContact C-N 3.32Å; G465-V467 PolarHBondContact O-N 3.4Å; V467-R470 PolarHBondContact O-N 3.29Å; V467-N471 PolarHBondContact O-N 2.78Å
468	I	95.8	Very high	97.6	Very high	14 Å²	14	30.1 Å²	30.1	7%	0.072	16%	0.156	C	C	.	.	H	α-helix	trans	-62.4	-51.7	178.5	-63.1	172.8	0	0	0	109.7	L147 L164 M206 G465 R470 N471 E472	L147-I468 HydrophobicContact CB-CD1 4.06Å; L147-I468 HydrophobicContact CD2-CD1 3.76Å; L147-I468 HydrophobicContact CG-CD1 4.35Å; L164-I468 HydrophobicContact CD1-CG2 3.91Å; L164-I468 HydrophobicContact CD2-CB 4.26Å; L164-I468 HydrophobicContact CD2-CG1 4.16Å; L164-I468 HydrophobicContact CD2-CG2 3.95Å; M206-I468 HydrophobicContact CE-CD1 4.12Å; G465-I468 PolarHBondContact O-N 3.25Å; G465-I468 VanDerWaalsContact O-N 3.17Å; I468-R470 VanDerWaalsContact C-N 3.31Å; I468-R470 PolarHBondContact O-N 3.42Å; I468-N471 PolarHBondContact O-N 2.94Å; I468-N471 VanDerWaalsContact O-N 3.14Å; I468-E472 VanDerWaalsContact O-CB 3.29Å; I468-E472 WeakPolarHBondContact O-CB 3.45Å; I468-E472 PolarHBondContact O-N 3.26Å
469	A	97.8	Very high	97.6	Very high	7 Å²	7	29.2 Å²	29.2	6%	0.058	15%	0.152	C	C	.	.	H	α-helix	trans	-58.8	-40.9	179.7	0	0	0	0	0	112.5	I327 F456 G465 V473	I327-A469 HydrophobicContact CD1-CB 4.03Å; I327-A469 HydrophobicContact CG1-CB 4.03Å; F456-A469 HydrophobicContact CE1-CB 3.96Å; F456-A469 HydrophobicContact CZ-CB 4.26Å; G465-A469 WeakPolarHBondContact O-CB 3.38Å; G465-A469 PolarHBondContact O-N 3.29Å; A469-V473 WeakPolarHBondContact O-CB 3.42Å; A469-V473 VanDerWaalsContact O-CG2 3.23Å; A469-V473 WeakPolarHBondContact O-CG2 3.3Å; A469-V473 PolarHBondContact O-N 3.36Å
470	R	97.7	Very high	97.6	Very high	46 Å²	46	28 Å²	28	17%	0.174	14%	0.138	C	C	.	.	H	α-helix	trans	-65.2	-41.8	176.4	-75.9	179.3	-177.1	-80.5	2.4	112.5	F456 E466 V467 I468 F474	F456-R470 HydrophobicContact CE2-CG 4.27Å; F456-R470 HydrophobicContact CZ-CG 4.29Å; E466-R470 WeakPolarHBondContact O-CB 3.14Å; E466-R470 VanDerWaalsContact O-CG 3.3Å; E466-R470 WeakPolarHBondContact O-CG 3.35Å; E466-R470 PolarHBondContact O-N 2.83Å; E466-R470 IonicContact OE1-CZ 3.55Å; E466-R470 IonicContact OE1-NE 2.78Å; E466-R470 PolarHBondContact OE1-NE 2.97Å; E466-R470 VanDerWaalsContact OE1-NE 3.15Å; E466-R470 IonicContact OE1-NH2 2.8Å; E466-R470 PolarHBondContact OE1-NH2 3.08Å; E466-R470 VanDerWaalsContact OE1-NH2 3.09Å; V467-R470 PolarHBondContact O-N 3.29Å; I468-R470 VanDerWaalsContact C-N 3.31Å; I468-R470 PolarHBondContact O-N 3.42Å; R470-F474 WeakPolarHBondContact O-CB 3.43Å; R470-F474 PolarHBondContact O-N 2.73Å; R470-F474 VanDerWaalsContact O-N 3.1Å
471	N	97.2	Very high	97.7	Very high	30 Å²	30	22 Å²	22	16%	0.16	12%	0.116	C	C	.	.	H	α-helix	trans	-69.3	-42	178.4	-73.5	-3.4	0	0	0	111.3	L164 L364 R367 V467 I468 F474 L475	L164-N471 HydrophobicContact CD2-CB 4.24Å; L364-N471 HydrophobicContact CD1-CB 4.34Å; L364-N471 HydrophobicContact CD2-CB 3.82Å; R367-N471 PolarHBondContact NH1-OD1 2.97Å; V467-N471 PolarHBondContact O-N 2.78Å; I468-N471 PolarHBondContact O-N 2.94Å; I468-N471 VanDerWaalsContact O-N 3.14Å; N471-F474 PolarHBondContact O-N 3.4Å; N471-L475 VanDerWaalsContact O-CB 3.26Å; N471-L475 WeakPolarHBondContact O-CB 3.5Å; N471-L475 PolarHBondContact O-N 3.06Å
472	E	98.2	Very high	97.7	Very high	3 Å²	3	21.2 Å²	21.2	1%	0.014	11%	0.113	C	C	.	.	H	α-helix	trans	-66.9	-48	-179.9	-174.9	165.3	178.2	0	0	112	I168 V202 I327 I468 F474 L475 F476	I168-E472 HydrophobicContact CD1-CB 3.91Å; I168-E472 HydrophobicContact CD1-CG 4.17Å; I168-E472 HydrophobicContact CG1-CB 4.31Å; I168-E472 HydrophobicContact CG1-CG 4.01Å; V202-E472 WeakPolarHBondContact CB-OE1 3.27Å; I327-E472 HydrophobicContact CD1-CB 4.24Å; I327-E472 HydrophobicContact CD1-CG 4.22Å; I327-E472 WeakPolarHBondContact CD1-OE2 3.34Å; I327-E472 HydrophobicContact CG2-CB 4.47Å; I327-E472 HydrophobicContact CG2-CG 3.85Å; I468-E472 VanDerWaalsContact O-CB 3.29Å; I468-E472 WeakPolarHBondContact O-CB 3.45Å; I468-E472 PolarHBondContact O-N 3.26Å; E472-F474 PolarHBondContact O-N 3.36Å; E472-L475 PolarHBondContact O-N 2.83Å; E472-F476 HydrophobicContact CG-CD2 3.7Å; E472-F476 HydrophobicContact CG-CE2 3.79Å; E472-F476 WeakPolarHBondContact O-CB 3.4Å; E472-F476 WeakPolarHBondContact O-CD2 3.31Å; E472-F476 PolarHBondContact O-N 2.82Å
473	V	98.6	Very high	97.7	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.006	11%	0.105	C	C	.	.	H	α-helix	trans	-60.7	-45.9	174.7	171.7	0	0	0	0	110.9	I327 L331 I377 F381 A469 L475 L477	I327-V473 HydrophobicContact CG2-CG2 4.11Å; L331-V473 HydrophobicContact CD2-CG1 4.32Å; I377-V473 HydrophobicContact CD1-CG1 4.31Å; I377-V473 HydrophobicContact CG1-CG1 4.15Å; I377-V473 HydrophobicContact CG2-CG1 4.02Å; F381-V473 HydrophobicContact CZ-CG1 4.35Å; F381-V473 HydrophobicContact CZ-CG2 4.36Å; A469-V473 WeakPolarHBondContact O-CB 3.42Å; A469-V473 VanDerWaalsContact O-CG2 3.23Å; A469-V473 WeakPolarHBondContact O-CG2 3.3Å; A469-V473 PolarHBondContact O-N 3.36Å; V473-L475 PolarHBondContact O-N 3.21Å; V473-L477 HydrophobicContact CG1-CD1 3.73Å; V473-L477 HydrophobicContact CG1-CG 4.4Å; V473-L477 WeakPolarHBondContact O-CB 3.37Å; V473-L477 WeakPolarHBondContact O-CG 3.23Å; V473-L477 PolarHBondContact O-N 3.38Å; V473-L477 VanDerWaalsContact O-N 3.09Å
474	F	98.7	Very high	97.7	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-56.6	-53.1	177.6	167.5	-95.1	0	0	0	111.8	L364 R367 L370 L373 E374 I377 R470 N471 E472 L477 A478	L364-F474 HydrophobicContact CD2-CD1 4.18Å; R367-F474 HydrophobicContact CB-CD1 4.31Å; R367-F474 HydrophobicContact CB-CE1 3.81Å; R367-F474 HydrophobicContact CB-CE2 4.07Å; R367-F474 HydrophobicContact CB-CZ 3.7Å; R367-F474 HydrophobicContact CG-CD1 4.28Å; R367-F474 HydrophobicContact CG-CD2 3.98Å; R367-F474 HydrophobicContact CG-CE1 4.19Å; R367-F474 HydrophobicContact CG-CE2 3.85Å; R367-F474 HydrophobicContact CG-CG 4.2Å; R367-F474 HydrophobicContact CG-CZ 3.99Å; L370-F474 HydrophobicContact CB-CE2 4.25Å; L370-F474 HydrophobicContact CD1-CE2 3.97Å; L370-F474 HydrophobicContact CD1-CZ 3.87Å; L373-F474 HydrophobicContact CD2-CD2 3.83Å; L373-F474 HydrophobicContact CD2-CE2 3.62Å; L373-F474 HydrophobicContact CD2-CZ 4.41Å; L373-F474 HydrophobicContact CG-CD2 4.2Å; L373-F474 HydrophobicContact CG-CE2 4.24Å; E374-F474 WeakPolarHBondContact OE1-CD2 3.36Å; I377-F474 HydrophobicContact CD1-CB 3.95Å; I377-F474 HydrophobicContact CD1-CD2 4.22Å; R470-F474 WeakPolarHBondContact O-CB 3.43Å; R470-F474 PolarHBondContact O-N 2.73Å; R470-F474 VanDerWaalsContact O-N 3.1Å; N471-F474 PolarHBondContact O-N 3.4Å; E472-F474 PolarHBondContact O-N 3.36Å; F474-L477 PolarHBondContact O-N 2.78Å; F474-A478 HydrophobicContact CZ-CB 4.45Å; F474-A478 WeakPolarHBondContact O-CB 3.43Å; F474-A478 PolarHBondContact O-N 3.5Å
475	L	98.4	Very high	97.7	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-74	-39.4	-169.7	-165.7	65	0	0	0	111.9	E165 I168 P362 L364 N471 E472 V473 L477 A478 I479	E165-L475 HydrophobicContact CB-CD2 4.43Å; E165-L475 HydrophobicContact CG-CD2 3.78Å; I168-L475 HydrophobicContact CB-CD2 3.94Å; I168-L475 HydrophobicContact CD1-CD2 4.2Å; I168-L475 HydrophobicContact CG2-CB 3.86Å; I168-L475 HydrophobicContact CG2-CD2 3.81Å; I168-L475 HydrophobicContact CG2-CG 3.98Å; P362-L475 WeakPolarHBondContact O-CD1 3.35Å; L364-L475 HydrophobicContact CD2-CB 4.13Å; L364-L475 HydrophobicContact CD2-CD1 4.41Å; L364-L475 HydrophobicContact CD2-CD2 4.08Å; L364-L475 HydrophobicContact CD2-CG 4.47Å; L364-L475 HydrophobicContact CG-CD2 4.17Å; N471-L475 VanDerWaalsContact O-CB 3.26Å; N471-L475 WeakPolarHBondContact O-CB 3.5Å; N471-L475 PolarHBondContact O-N 3.06Å; E472-L475 PolarHBondContact O-N 2.83Å; V473-L475 PolarHBondContact O-N 3.21Å; L475-L477 VanDerWaalsContact C-N 3.33Å; L475-L477 PolarHBondContact O-N 3.43Å; L475-A478 PolarHBondContact O-N 2.89Å; L475-I479 HydrophobicContact CD1-CD1 4.35Å; L475-I479 HydrophobicContact CG-CD1 3.95Å; L475-I479 WeakPolarHBondContact O-CB 3.28Å; L475-I479 WeakPolarHBondContact O-CD1 3.27Å; L475-I479 WeakPolarHBondContact O-CG1 3.34Å; L475-I479 PolarHBondContact O-N 2.71Å
476	F	98.7	Very high	97.7	Very high	1 Å²	1	16.8 Å²	16.8	0%	0.004	9%	0.085	C	C	.	.	H	α-helix	trans	-57.1	-47.6	170	-92.7	-70.3	0	0	0	111.1	I168 E171 A172 L175 V199 V202 L331 E472 I479 I480	I168-F476 HydrophobicContact CG2-CD2 3.73Å; I168-F476 HydrophobicContact CG2-CE2 3.88Å; I168-F476 HydrophobicContact CG2-CG 4.15Å; I168-F476 HydrophobicContact CG2-CZ 4.4Å; E171-F476 HydrophobicContact CB-CZ 4.17Å; A172-F476 HydrophobicContact CB-CD1 3.8Å; A172-F476 HydrophobicContact CB-CE1 3.83Å; L175-F476 HydrophobicContact CD2-CD1 4.46Å; L175-F476 HydrophobicContact CD2-CE1 4.39Å; V199-F476 HydrophobicContact CG2-CE2 4.21Å; V202-F476 HydrophobicContact CG2-CE2 4.03Å; V202-F476 HydrophobicContact CG2-CZ 4.1Å; L331-F476 HydrophobicContact CD1-CB 3.78Å; L331-F476 HydrophobicContact CD1-CD1 4.43Å; L331-F476 HydrophobicContact CD1-CD2 3.7Å; L331-F476 HydrophobicContact CD1-CE2 4.38Å; L331-F476 HydrophobicContact CD1-CG 3.73Å; L331-F476 HydrophobicContact CD2-CB 3.75Å; L331-F476 HydrophobicContact CG-CB 4.44Å; E472-F476 HydrophobicContact CG-CD2 3.7Å; E472-F476 HydrophobicContact CG-CE2 3.79Å; E472-F476 WeakPolarHBondContact O-CB 3.4Å; E472-F476 WeakPolarHBondContact O-CD2 3.31Å; E472-F476 PolarHBondContact O-N 2.82Å; F476-I479 PolarHBondContact O-N 3.12Å; F476-I480 VanDerWaalsContact O-CG1 3.3Å; F476-I480 WeakPolarHBondContact O-CG1 3.35Å; F476-I480 WeakPolarHBondContact O-CG2 3.39Å; F476-I480 PolarHBondContact O-N 3.18Å
477	L	98.8	Very high	97.6	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-64.6	-45.5	-179.3	-69.8	175.6	0	0	0	112.4	L331 A334 L373 F376 I377 V473 F474 L475 I479 I480 I481	L331-L477 HydrophobicContact CD2-CD2 3.86Å; L331-L477 HydrophobicContact CD2-CG 3.77Å; A334-L477 HydrophobicContact CB-CD1 4.19Å; A334-L477 HydrophobicContact CB-CD2 3.54Å; A334-L477 HydrophobicContact CB-CG 4.47Å; L373-L477 HydrophobicContact CD1-CB 3.99Å; L373-L477 HydrophobicContact CD1-CD1 4.5Å; F376-L477 HydrophobicContact CD1-CD1 4.24Å; F376-L477 HydrophobicContact CE1-CD1 3.96Å; I377-L477 HydrophobicContact CD1-CD1 4.11Å; I377-L477 HydrophobicContact CG1-CD1 3.68Å; V473-L477 HydrophobicContact CG1-CD1 3.73Å; V473-L477 HydrophobicContact CG1-CG 4.4Å; V473-L477 WeakPolarHBondContact O-CB 3.37Å; V473-L477 WeakPolarHBondContact O-CG 3.23Å; V473-L477 PolarHBondContact O-N 3.38Å; V473-L477 VanDerWaalsContact O-N 3.09Å; F474-L477 PolarHBondContact O-N 2.78Å; L475-L477 VanDerWaalsContact C-N 3.33Å; L475-L477 PolarHBondContact O-N 3.43Å; L477-I479 VanDerWaalsContact C-N 3.31Å; L477-I479 PolarHBondContact O-N 2.72Å; L477-I480 HydrophobicContact CD2-CD1 4Å; L477-I480 PolarHBondContact O-N 3.16Å; L477-I481 HydrophobicContact CB-CD1 4.22Å; L477-I481 VanDerWaalsContact O-CB 3.23Å; L477-I481 WeakPolarHBondContact O-CB 3.4Å; L477-I481 WeakPolarHBondContact O-CD1 3.15Å; L477-I481 WeakPolarHBondContact O-CG1 3.24Å; L477-I481 PolarHBondContact O-N 3.28Å
478	A	98.6	Very high	97.7	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-56.6	-47.1	177.3	0	0	0	0	0	111.1	P362 L370 L373 F474 L475 Q482	P362-A478 HydrophobicContact CB-CB 3.7Å; P362-A478 HydrophobicContact CG-CB 4Å; L370-A478 HydrophobicContact CD1-CB 4.41Å; L373-A478 HydrophobicContact CD2-CB 3.71Å; F474-A478 HydrophobicContact CZ-CB 4.45Å; F474-A478 WeakPolarHBondContact O-CB 3.43Å; F474-A478 PolarHBondContact O-N 3.5Å; L475-A478 PolarHBondContact O-N 2.89Å; A478-Q482 VanDerWaalsContact O-CB 3.29Å; A478-Q482 WeakPolarHBondContact O-CB 3.26Å; A478-Q482 PolarHBondContact O-N 3.29Å; A478-Q482 VanDerWaalsContact O-N 3.08Å
479	I	98.4	Very high	97.5	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-67.8	-48.1	-178.4	-63.6	171.4	0	0	0	111.5	C169 A172 I176 T361 P362 L475 F476 L477 Q482 K483	C169-I479 HydrophobicContact CB-CD1 4.44Å; A172-I479 HydrophobicContact CB-CB 4.15Å; A172-I479 HydrophobicContact CB-CD1 3.81Å; A172-I479 HydrophobicContact CB-CG2 3.79Å; I176-I479 HydrophobicContact CD1-CG2 3.77Å; T361-I479 HydrophobicContact CG2-CB 4.47Å; T361-I479 HydrophobicContact CG2-CD1 3.71Å; T361-I479 HydrophobicContact CG2-CG1 3.59Å; T361-I479 HydrophobicContact CG2-CG2 4.15Å; P362-I479 HydrophobicContact CB-CG1 4.41Å; P362-I479 HydrophobicContact CG-CG1 4.47Å; L475-I479 HydrophobicContact CD1-CD1 4.35Å; L475-I479 HydrophobicContact CG-CD1 3.95Å; L475-I479 WeakPolarHBondContact O-CB 3.28Å; L475-I479 WeakPolarHBondContact O-CD1 3.27Å; L475-I479 WeakPolarHBondContact O-CG1 3.34Å; L475-I479 PolarHBondContact O-N 2.71Å; F476-I479 PolarHBondContact O-N 3.12Å; L477-I479 VanDerWaalsContact C-N 3.31Å; L477-I479 PolarHBondContact O-N 2.72Å; I479-Q482 PolarHBondContact O-N 3.06Å; I479-K483 HydrophobicContact CG2-CD 4.47Å; I479-K483 PolarHBondContact O-N 3.4Å
480	I	98	Very high	97.2	Very high	6 Å²	6	26 Å²	26	3%	0.031	13%	0.127	C	C	.	.	H	α-helix	trans	-70.6	-37.3	-177.3	71.8	-174.7	0	0	0	111.7	L175 F476 L477 K483 L484 F486	L175-I480 HydrophobicContact CD2-CG2 4.43Å; F476-I480 VanDerWaalsContact O-CG1 3.3Å; F476-I480 WeakPolarHBondContact O-CG1 3.35Å; F476-I480 WeakPolarHBondContact O-CG2 3.39Å; F476-I480 PolarHBondContact O-N 3.18Å; L477-I480 HydrophobicContact CD2-CD1 4Å; L477-I480 PolarHBondContact O-N 3.16Å; I480-K483 PolarHBondContact O-N 3.27Å; I480-L484 HydrophobicContact CB-CD1 4.28Å; I480-L484 WeakPolarHBondContact O-CA 3.33Å; I480-L484 WeakPolarHBondContact O-CB 3.29Å; I480-L484 PolarHBondContact O-N 3.13Å; I480-F486 HydrophobicContact CB-CE2 4.38Å; I480-F486 HydrophobicContact CB-CZ 4.37Å; I480-F486 HydrophobicContact CD1-CE2 4.12Å; I480-F486 HydrophobicContact CD1-CZ 4.11Å; I480-F486 HydrophobicContact CG1-CE2 4.13Å; I480-F486 HydrophobicContact CG1-CZ 4.39Å
481	I	98.3	Very high	96.5	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-68.9	-37.1	178.1	-66.3	167.6	0	0	0	110.5	L338 L348 F349 I352 L373 L477 K483 R516	L338-I481 HydrophobicContact CD1-CD1 4.14Å; L338-I481 HydrophobicContact CD1-CG1 3.91Å; L338-I481 HydrophobicContact CD2-CD1 4.12Å; L338-I481 HydrophobicContact CD2-CG1 4.49Å; L348-I481 HydrophobicContact CB-CD1 4.28Å; L348-I481 HydrophobicContact CB-CG2 4.05Å; L348-I481 HydrophobicContact CD1-CD1 4.04Å; F349-I481 HydrophobicContact CB-CG2 4.12Å; I352-I481 HydrophobicContact CD1-CB 3.91Å; I352-I481 HydrophobicContact CD1-CG2 3.76Å; L373-I481 HydrophobicContact CD1-CD1 4.07Å; L477-I481 HydrophobicContact CB-CD1 4.22Å; L477-I481 VanDerWaalsContact O-CB 3.23Å; L477-I481 WeakPolarHBondContact O-CB 3.4Å; L477-I481 WeakPolarHBondContact O-CD1 3.15Å; L477-I481 WeakPolarHBondContact O-CG1 3.24Å; L477-I481 PolarHBondContact O-N 3.28Å; I481-K483 VanDerWaalsContact C-N 3.27Å; I481-K483 PolarHBondContact O-N 2.82Å; I481-R516 WeakPolarHBondContact O-CD 3.43Å; I481-R516 PolarHBondContact O-NE 2.79Å
482	Q	97.9	Very high	95.9	Very high	8 Å²	8	30 Å²	30	4%	0.037	17%	0.168	C	C	.	.	H	α-helix	trans	-59.6	-39.7	175.6	-169.1	-168.3	50.1	0	0	111.8	F349 I352 G357 L358 R360 P362 A478 I479	F349-Q482 WeakPolarHBondContact CE2-O 2.96Å; I352-Q482 HydrophobicContact CG2-CB 3.87Å; I352-Q482 HydrophobicContact CG2-CG 3.84Å; G357-Q482 PolarHBondContact O-NE2 2.74Å; L358-Q482 HydrophobicContact CD2-CG 3.96Å; R360-Q482 PolarHBondContact O-NE2 3.35Å; P362-Q482 HydrophobicContact CG-CB 4.49Å; A478-Q482 VanDerWaalsContact O-CB 3.29Å; A478-Q482 WeakPolarHBondContact O-CB 3.26Å; A478-Q482 PolarHBondContact O-N 3.29Å; A478-Q482 VanDerWaalsContact O-N 3.08Å; I479-Q482 PolarHBondContact O-N 3.06Å
483	K	97.3	Very high	95.2	Very high	46 Å²	46	34.8 Å²	34.8	20%	0.2	20%	0.2	C	C	.	.	H	α-helix	trans	-103.7	-25.1	-167.9	-66.4	-176.1	176	-156.7	0	114.4	E173 I176 I479 I480 I481 M515 R516	E173-K483 IonicContact OE1-NZ 2.93Å; E173-K483 PolarHBondContact OE1-NZ 2.92Å; E173-K483 IonicContact OE2-NZ 3.03Å; E173-K483 PolarHBondContact OE2-NZ 3.35Å; I176-K483 HydrophobicContact CD1-CB 4.09Å; I176-K483 HydrophobicContact CD1-CD 3.52Å; I176-K483 HydrophobicContact CD1-CG 4.36Å; I479-K483 HydrophobicContact CG2-CD 4.47Å; I479-K483 PolarHBondContact O-N 3.4Å; I480-K483 PolarHBondContact O-N 3.27Å; I481-K483 VanDerWaalsContact C-N 3.27Å; I481-K483 PolarHBondContact O-N 2.82Å; K483-M515 HydrophobicContact CB-CE 4.31Å; K483-M515 CarbonylContact O-C 3.32Å; K483-M515 WeakPolarHBondContact O-CA 3.49Å; K483-R516 PolarHBondContact O-N 3.08Å
484	L	97.3	Very high	94.9	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.01	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	149.7	-171.5	-57.1	176.6	0	0	0	111.4	I176 L179 I480 F486 V513 S514 M515 R516	I176-L484 HydrophobicContact CG1-CD1 3.87Å; I176-L484 HydrophobicContact CG1-CG 4.22Å; I176-L484 HydrophobicContact CG2-CD2 4.22Å; L179-L484 HydrophobicContact CD1-CD1 3.78Å; I480-L484 HydrophobicContact CB-CD1 4.28Å; I480-L484 WeakPolarHBondContact O-CA 3.33Å; I480-L484 WeakPolarHBondContact O-CB 3.29Å; I480-L484 PolarHBondContact O-N 3.13Å; L484-F486 HydrophobicContact CB-CE2 4.1Å; L484-F486 HydrophobicContact CB-CZ 4.18Å; L484-F486 HydrophobicContact CD1-CE1 4.45Å; L484-F486 HydrophobicContact CD1-CZ 3.92Å; L484-V513 HydrophobicContact CB-CG2 3.67Å; L484-V513 HydrophobicContact CD1-CG2 3.98Å; L484-V513 HydrophobicContact CD2-CG2 3.94Å; L484-V513 HydrophobicContact CG-CG2 4.08Å; L484-S514 CarbonylContact C-O 3.21Å; L484-S514 WeakPolarHBondContact CA-O 3.5Å; L484-M515 HydrophobicContact CD2-SD 3.47Å; L484-M515 WeakPolarHBondContact CD2-SD 3.3Å; L484-R516 PolarHBondContact O-NE 3.1Å
485	H	97.6	Very high	94.6	Very high	61 Å²	61	38.5 Å²	38.5	28%	0.282	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	121.8	166.3	175.8	45.8	0	0	0	109.1	E345 V513 S514 R516	E345-H485 VanDerWaalsContact CD-ND1 3.31Å; E345-H485 VanDerWaalsContact OE1-CA 3.26Å; E345-H485 WeakPolarHBondContact OE1-CA 3.35Å; E345-H485 IonicContact OE1-CG 3.64Å; E345-H485 IonicContact OE1-ND1 3.84Å; E345-H485 PolarHBondContact OE1-ND1 3.33Å; E345-H485 IonicContact OE2-CE1 2.86Å; E345-H485 PolarHBondContact OE2-CE1 3.45Å; E345-H485 VanDerWaalsContact OE2-CE1 3.27Å; E345-H485 IonicContact OE2-ND1 3.81Å; E345-H485 PolarHBondContact OE2-ND1 3.12Å; H485-V513 WeakPolarHBondContact O-CA 3.49Å; H485-S514 PolarHBondContact N-O 3.11Å; H485-S514 PolarHBondContact O-N 2.79Å; H485-R516 HydrophobicContact CB-CG 4.08Å; H485-R516 PolarHBondContact ND1-NH2 3.37Å
486	F	97.2	Very high	94.5	Very high	4 Å²	4	41 Å²	41	2%	0.018	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	140.2	-179.3	-61.9	-84.9	0	0	0	111.2	L179 F189 V335 L338 V339 E345 I480 L484 V513	L179-F486 HydrophobicContact CD1-CE1 4.4Å; F189-F486 HydrophobicContact CE1-CD1 4.38Å; F189-F486 AromaticContact CZ-CD1 3.82Å; F189-F486 HydrophobicContact CZ-CD1 3.82Å; F189-F486 AromaticContact CZ-CE1 3.8Å; F189-F486 HydrophobicContact CZ-CE1 3.8Å; V335-F486 HydrophobicContact CG1-CD1 3.91Å; V335-F486 HydrophobicContact CG1-CE1 4.23Å; V335-F486 HydrophobicContact CG1-CG 4.24Å; V335-F486 HydrophobicContact CG2-CE1 4.29Å; V335-F486 HydrophobicContact CG2-CZ 4.22Å; L338-F486 HydrophobicContact CD1-CD2 4.18Å; L338-F486 HydrophobicContact CD1-CE2 4.42Å; V339-F486 HydrophobicContact CG2-CB 3.41Å; V339-F486 VanDerWaalsContact CG2-CB 3.41Å; E345-F486 PolarHBondContact OE1-N 2.79Å; I480-F486 HydrophobicContact CB-CE2 4.38Å; I480-F486 HydrophobicContact CB-CZ 4.37Å; I480-F486 HydrophobicContact CD1-CE2 4.12Å; I480-F486 HydrophobicContact CD1-CZ 4.11Å; I480-F486 HydrophobicContact CG1-CE2 4.13Å; I480-F486 HydrophobicContact CG1-CZ 4.39Å; L484-F486 HydrophobicContact CB-CE2 4.1Å; L484-F486 HydrophobicContact CB-CZ 4.18Å; L484-F486 HydrophobicContact CD1-CE1 4.45Å; L484-F486 HydrophobicContact CD1-CZ 3.92Å; F486-V513 HydrophobicContact CD1-CB 3.9Å; F486-V513 HydrophobicContact CD1-CG2 3.7Å; F486-V513 HydrophobicContact CE1-CB 4.13Å; F486-V513 HydrophobicContact CE1-CG2 3.69Å; F486-V513 HydrophobicContact CG-CG2 4.31Å; F486-V513 HydrophobicContact CZ-CG2 4.28Å
487	Y	95.9	Very high	94.3	Very high	84 Å²	84	43.6 Å²	43.6	33%	0.329	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	158.2	-178.8	60	-90	0	0	0	113.7	L489 G512	Y487-L489 HydrophobicContact CE2-CD2 4.12Å; Y487-G512 VanDerWaalsContact CE1-C 3.5Å; Y487-G512 PolarHBondContact N-O 2.6Å; Y487-G512 PolarHBondContact O-N 2.85Å
488	K	94.9	Very high	94.2	Very high	100 Å²	100	44.9 Å²	44.9	44%	0.435	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	136.6	174.6	-61.1	-177	-179.1	162.6	0	109.9	V339 V494	V339-K488 HydrophobicContact CG1-CB 4.23Å; V339-K488 HydrophobicContact CG1-CD 4.18Å; V339-K488 HydrophobicContact CG1-CG 3.18Å; V339-K488 WeakPolarHBondContact O-CE 3.42Å; K488-V494 HydrophobicContact CD-CG2 3.76Å; K488-V494 HydrophobicContact CG-CG2 3.73Å
489	L	93.3	Very high	94.1	Very high	27 Å²	27	48.6 Å²	48.6	14%	0.141	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-76.7	144.5	168.7	-65.9	172	0	0	0	110.3	K188 Y487 G491 E492	K188-L489 HydrophobicContact CB-CD1 3.42Å; K188-L489 VanDerWaalsContact CB-CD1 3.42Å; K188-L489 HydrophobicContact CD-CD1 4.42Å; Y487-L489 HydrophobicContact CE2-CD2 4.12Å; L489-G491 PolarHBondContact O-N 3.44Å; L489-E492 HydrophobicContact CB-CB 4.17Å; L489-E492 HydrophobicContact CB-CG 3.96Å; L489-E492 PolarHBondContact O-N 3.42Å
490	P	89.7	Confident	94	Very high	128 Å²	128	50.9 Å²	50.9	83%	0.831	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	126.1	176.6	-24.6	33.9	0	0	0	111.7	E492	P490-E492 VanDerWaalsContact C-N 3.31Å; P490-E492 PolarHBondContact O-N 3.02Å
491	G	84.4	Confident	94	Very high	79 Å²	79	50.6 Å²	50.6	81%	0.814	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.6	-0.7	177.6	0	0	0	0	0	115.7	L489 P493	L489-G491 PolarHBondContact O-N 3.44Å; G491-P493 VanDerWaalsContact O-CD 3.3Å; G491-P493 WeakPolarHBondContact O-CD 3.21Å
492	E	83.2	Confident	93.9	Very high	79 Å²	79	51.7 Å²	51.7	37%	0.369	29%	0.288	S	S	.	.			trans	-99.1	102.7	176	-68.2	-70.6	174.4	0	0	110	L489 P490	L489-E492 HydrophobicContact CB-CB 4.17Å; L489-E492 HydrophobicContact CB-CG 3.96Å; L489-E492 PolarHBondContact O-N 3.42Å; P490-E492 VanDerWaalsContact C-N 3.31Å; P490-E492 PolarHBondContact O-N 3.02Å
493	P	85	Confident	93.9	Very high	105 Å²	105	51.4 Å²	51.4	68%	0.682	29%	0.286	S	S	*	.			trans	-70.5	135.5	178.9	29	-33.7	0	0	0	111.1	G491 D495	G491-P493 VanDerWaalsContact O-CD 3.3Å; G491-P493 WeakPolarHBondContact O-CD 3.21Å; P493-D495 PolarHBondContact O-N 3.42Å
494	V	90.8	Very high	93.9	Very high	28 Å²	28	49.2 Å²	49.2	17%	0.17	28%	0.277	C	S	.	.			trans	-88.9	96.5	174.2	-178.4	0	0	0	0	108.9	M336 V339 K488 M496 L511	M336-V494 HydrophobicContact CE-CG1 3.41Å; M336-V494 VanDerWaalsContact CE-CG1 3.41Å; M336-V494 HydrophobicContact SD-CG1 4.16Å; V339-V494 HydrophobicContact CG1-CG2 4.2Å; K488-V494 HydrophobicContact CD-CG2 3.76Å; K488-V494 HydrophobicContact CG-CG2 3.73Å; V494-M496 HydrophobicContact CG1-CG 4.34Å; V494-M496 HydrophobicContact CG1-SD 3.96Å; V494-M496 PolarHBondContact O-N 3.39Å; V494-L511 HydrophobicContact CG2-CD2 4.22Å
495	D	94	Very high	93.8	Very high	51 Å²	51	49.8 Å²	49.8	27%	0.273	28%	0.279	S	S	.	.			trans	-83.2	107	176.2	-172	-8.2	0	0	0	110.8	P493 T497 K507	P493-D495 PolarHBondContact O-N 3.42Å; D495-T497 PolarHBondContact O-N 2.84Å; D495-T497 WeakPolarHBondContact OD1-CB 3.49Å; D495-T497 PolarHBondContact OD1-N 3.49Å; D495-T497 PolarHBondContact OD1-OG1 3.32Å; D495-K507 HydrophobicContact CB-CD 4.25Å; D495-K507 VanDerWaalsContact OD2-CD 3.3Å; D495-K507 WeakPolarHBondContact OD2-CD 3.3Å; D495-K507 VanDerWaalsContact OD2-CE 3.23Å; D495-K507 WeakPolarHBondContact OD2-CE 3.45Å; D495-K507 IonicContact OD2-NZ 3.39Å; D495-K507 PolarHBondContact OD2-NZ 3Å
496	M	94.8	Very high	93.7	Very high	52 Å²	52	47.2 Å²	47.2	26%	0.256	27%	0.267	S	S	.	.			trans	-84	8.6	179.4	-63.9	-65.5	-79.2	0	0	113.3	W333 M336 Y337 V494 P498	W333-M496 HydrophobicContact CE3-CE 4.12Å; W333-M496 WeakPolarHBondContact CH2-O 3.36Å; W333-M496 HydrophobicContact CZ3-CE 3.94Å; W333-M496 HydrophobicContact CZ3-SD 4.18Å; M336-M496 HydrophobicContact CB-CE 4.15Å; M336-M496 HydrophobicContact CB-SD 3.73Å; M336-M496 HydrophobicContact CE-SD 4.11Å; Y337-M496 HydrophobicContact CD1-CE 3.73Å; Y337-M496 HydrophobicContact CD2-CE 4.14Å; Y337-M496 HydrophobicContact CE1-CE 3.59Å; Y337-M496 HydrophobicContact CE2-CE 4Å; Y337-M496 HydrophobicContact CG-CE 3.97Å; V494-M496 HydrophobicContact CG1-CG 4.34Å; V494-M496 HydrophobicContact CG1-SD 3.96Å; V494-M496 PolarHBondContact O-N 3.39Å; M496-P498 VanDerWaalsContact O-CD 3.29Å; M496-P498 WeakPolarHBondContact O-CD 3.31Å
497	T	95.9	Very high	93.5	Very high	56 Å²	56	51.6 Å²	51.6	34%	0.344	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-71.7	120.9	178.4	-53.4	0	0	0	0	110.7	D495	D495-T497 PolarHBondContact O-N 2.84Å; D495-T497 WeakPolarHBondContact OD1-CB 3.49Å; D495-T497 PolarHBondContact OD1-N 3.49Å; D495-T497 PolarHBondContact OD1-OG1 3.32Å
498	P	96.7	Very high	93.3	Very high	27 Å²	27	52.2 Å²	52.2	18%	0.175	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-70.4	136.9	178.6	-17.3	31	0	0	0	112.4	W333 M496 M504 K505	W333-P498 HydrophobicContact CH2-CB 4.23Å; W333-P498 HydrophobicContact CH2-CG 3.93Å; W333-P498 HydrophobicContact CZ2-CB 3.94Å; W333-P498 HydrophobicContact CZ2-CG 4.06Å; M496-P498 VanDerWaalsContact O-CD 3.29Å; M496-P498 WeakPolarHBondContact O-CD 3.31Å; P498-M504 HydrophobicContact CB-CB 3.91Å; P498-M504 HydrophobicContact CB-CE 4.02Å; P498-M504 HydrophobicContact CB-CG 4.41Å; P498-M504 HydrophobicContact CB-SD 3.76Å; P498-M504 HydrophobicContact CG-CE 4.39Å; P498-K505 WeakPolarHBondContact CA-O 3.47Å
499	E	95.8	Very high	93.2	Very high	77 Å²	77	48 Å²	48	36%	0.36	27%	0.271	S	S	.	.	B	Isolated β-bridge	trans	-88.3	123.6	168.6	-62.7	-167.7	118.7	0	0	109.7	M504 K505 K507	E499-M504 WeakPolarHBondContact O-CA 3.45Å; E499-M504 WeakPolarHBondContact O-CB 3.43Å; E499-K505 PolarHBondContact N-O 2.88Å; E499-K505 PolarHBondContact O-N 3.49Å; E499-K507 HydrophobicContact CG-CG 4.33Å
500	Y	96.9	Very high	93.3	Very high	48 Å²	48	51.5 Å²	51.5	19%	0.188	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-68.3	138.6	-172.4	-176.8	-114.5	0	0	0	113	S62 P64 Y65 S235 P388 F389 M504	S62-Y500 WeakPolarHBondContact O-CB 3.22Å; P64-Y500 HydrophobicContact CB-CE1 4.41Å; P64-Y500 HydrophobicContact CG-CD1 4.13Å; P64-Y500 HydrophobicContact CG-CE1 3.59Å; P64-Y500 HydrophobicContact CG-CE2 4.46Å; Y65-Y500 AromaticContact CD1-CD2 3.58Å; Y65-Y500 HydrophobicContact CD1-CD2 3.58Å; Y65-Y500 AromaticContact CD1-CE2 3.97Å; Y65-Y500 HydrophobicContact CD1-CE2 3.97Å; Y65-Y500 AromaticContact CE1-CD2 3.91Å; Y65-Y500 HydrophobicContact CE1-CD2 3.91Å; S235-Y500 PolarHBondContact N-OH 3.37Å; S235-Y500 PolarHBondContact O-OH 2.86Å; P388-Y500 HydrophobicContact CG-CD2 4.31Å; P388-Y500 HydrophobicContact CG-CE2 3.95Å; F389-Y500 HydrophobicContact CD2-CE2 4.12Å; F389-Y500 WeakPolarHBondContact CD2-OH 3.13Å; F389-Y500 HydrophobicContact CE2-CE2 4.01Å; F389-Y500 WeakPolarHBondContact CE2-OH 3.33Å; Y500-M504 HydrophobicContact CD2-SD 4.4Å
501	G	96.5	Very high	93.6	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.01	24%	0.244	C	C	.	.	S	Bend	trans	-174.9	-174.1	175.9	0	0	0	0	0	109.5	V230	V230-G501 CarbonylContact O-C 3.55Å; V230-G501 VanDerWaalsContact O-CA 3.26Å; V230-G501 WeakPolarHBondContact O-CA 3.43Å
502	L	97.1	Very high	94.2	Very high	22 Å²	22	41.7 Å²	41.7	12%	0.115	21%	0.205	C	C	.	.	S	Bend	trans	-55.6	-56.2	168.9	175.8	61.1	0	0	0	109.9	F128 F229 V230 T233 L387 I391	F128-L502 HydrophobicContact CE1-CD2 4.34Å; F128-L502 HydrophobicContact CZ-CD2 3.87Å; F229-L502 HydrophobicContact CE1-CD2 4.37Å; V230-L502 HydrophobicContact CB-CB 4.2Å; V230-L502 HydrophobicContact CG1-CB 4.49Å; V230-L502 PolarHBondContact O-N 2.81Å; T233-L502 WeakPolarHBondContact OG1-CB 3.47Å; L387-L502 HydrophobicContact CD2-CG 4.48Å; L387-L502 WeakPolarHBondContact CD2-O 3.33Å; I391-L502 HydrophobicContact CG1-CD1 3.93Å
503	T	97.9	Very high	94.9	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.012	19%	0.19	C	C	.	.	S	Bend	trans	-98.6	130.4	159.6	56.1	0	0	0	0	109	V230 D325 T326 Y386 L387 K505	V230-T503 WeakPolarHBondContact CG1-OG1 3.2Å; D325-T503 VanDerWaalsContact OD2-CG2 3.28Å; D325-T503 WeakPolarHBondContact OD2-CG2 3.34Å; D325-T503 PolarHBondContact OD2-OG1 3.25Å; T326-T503 HydrophobicContact CG2-CG2 4.01Å; Y386-T503 HydrophobicContact CD2-CG2 4.3Å; Y386-T503 CarbonylContact O-C 3.59Å; Y386-T503 VanDerWaalsContact O-CA 3.23Å; Y386-T503 WeakPolarHBondContact O-CA 3.26Å; L387-T503 HydrophobicContact CD2-CG2 3.56Å; L387-T503 HydrophobicContact CG-CG2 4.12Å; T503-K505 VanDerWaalsContact OG1-CE 3.3Å; T503-K505 WeakPolarHBondContact OG1-CE 3.27Å; T503-K505 PolarHBondContact OG1-NZ 2.95Å
504	M	97.6	Very high	95.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-83.3	123.4	175.8	-63.8	-168.2	-62.8	0	0	109.7	Y65 T329 W333 S384 S385 Y386 P388 P498 E499 Y500	Y65-M504 HydrophobicContact CD1-SD 3.86Å; Y65-M504 HydrophobicContact CE1-SD 3.45Å; Y65-M504 WeakPolarHBondContact CE1-SD 3.3Å; Y65-M504 HydrophobicContact CE2-SD 4.28Å; Y65-M504 HydrophobicContact CG-SD 4.44Å; T329-M504 WeakPolarHBondContact CG2-O 3.49Å; W333-M504 PolarHBondContact NE1-O 3.23Å; S384-M504 WeakPolarHBondContact O-CE 3.32Å; S385-M504 VanDerWaalsContact O-CE 3.24Å; S385-M504 WeakPolarHBondContact O-CE 3.08Å; Y386-M504 PolarHBondContact O-N 3.49Å; P388-M504 HydrophobicContact CB-CE 3.9Å; P388-M504 HydrophobicContact CB-SD 4.11Å; P388-M504 HydrophobicContact CG-CE 4.03Å; P388-M504 HydrophobicContact CG-CG 3.79Å; P388-M504 HydrophobicContact CG-SD 3.79Å; P498-M504 HydrophobicContact CB-CB 3.91Å; P498-M504 HydrophobicContact CB-CE 4.02Å; P498-M504 HydrophobicContact CB-CG 4.41Å; P498-M504 HydrophobicContact CB-SD 3.76Å; P498-M504 HydrophobicContact CG-CE 4.39Å; E499-M504 WeakPolarHBondContact O-CA 3.45Å; E499-M504 WeakPolarHBondContact O-CB 3.43Å; Y500-M504 HydrophobicContact CD2-SD 4.4Å
505	K	95.6	Very high	95.6	Very high	14 Å²	14	38.4 Å²	38.4	6%	0.061	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-93.4	161.7	176.1	-49.3	-62.2	-180	169	0	109.2	F192 E227 D325 T329 P498 E499 T503	F192-K505 HydrophobicContact CE2-CD 4.33Å; E227-K505 HydrophobicContact CG-CG 4.38Å; D325-K505 VanDerWaalsContact CG-NZ 3.3Å; D325-K505 IonicContact OD1-NZ 3.55Å; D325-K505 PolarHBondContact OD1-NZ 2.84Å; D325-K505 IonicContact OD2-NZ 2.64Å; D325-K505 PolarHBondContact OD2-NZ 3.47Å; T329-K505 HydrophobicContact CG2-CD 4.39Å; T329-K505 VanDerWaalsContact OG1-CD 3.24Å; T329-K505 WeakPolarHBondContact OG1-CD 3.28Å; T329-K505 WeakPolarHBondContact OG1-CE 3.48Å; T329-K505 PolarHBondContact OG1-NZ 3.15Å; P498-K505 WeakPolarHBondContact CA-O 3.47Å; E499-K505 PolarHBondContact N-O 2.88Å; E499-K505 PolarHBondContact O-N 3.49Å; T503-K505 VanDerWaalsContact OG1-CE 3.3Å; T503-K505 WeakPolarHBondContact OG1-CE 3.27Å; T503-K505 PolarHBondContact OG1-NZ 2.95Å
506	H	94.9	Very high	95.5	Very high	7 Å²	7	37.6 Å²	37.6	3%	0.032	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-91.7	163	163.2	59.3	81.7	0	0	0	109.1	S332 W333 M336 R508	S332-H506 PolarHBondContact OG-NE2 3.13Å; W333-H506 HydrophobicContact CD2-CB 4.45Å; W333-H506 HydrophobicContact CE3-CB 4.37Å; W333-H506 HydrophobicContact CH2-CB 3.71Å; W333-H506 HydrophobicContact CZ2-CB 3.78Å; W333-H506 HydrophobicContact CZ3-CB 4.02Å; M336-H506 HydrophobicContact CE-CB 4.22Å; H506-R508 PolarHBondContact O-N 3.33Å
507	K	93.1	Very high	94.5	Very high	96 Å²	96	38.9 Å²	38.9	42%	0.417	20%	0.197	S	C	.	.	P	Polyproline II helix	trans	-61.2	141.3	172.2	-68.3	-175.1	-173.6	164.3	0	110	D495 E499 C509	D495-K507 HydrophobicContact CB-CD 4.25Å; D495-K507 VanDerWaalsContact OD2-CD 3.3Å; D495-K507 WeakPolarHBondContact OD2-CD 3.3Å; D495-K507 VanDerWaalsContact OD2-CE 3.23Å; D495-K507 WeakPolarHBondContact OD2-CE 3.45Å; D495-K507 IonicContact OD2-NZ 3.39Å; D495-K507 PolarHBondContact OD2-NZ 3Å; E499-K507 HydrophobicContact CG-CG 4.33Å; K507-C509 PolarHBondContact O-N 3.12Å
508	R	91.3	Very high	93	Very high	98 Å²	98	42.1 Å²	42.1	37%	0.37	21%	0.207	S	C	.	.	P	Polyproline II helix	trans	-58.9	131.7	174.5	-60.1	-66.1	-178.2	149	-2.6	109.3	E190 F192 E227 H506	E190-R508 WeakPolarHBondContact OE1-CD 3.5Å; E190-R508 IonicContact OE1-CZ 3.3Å; E190-R508 IonicContact OE1-NE 3.66Å; E190-R508 IonicContact OE1-NH1 3.47Å; E190-R508 PolarHBondContact OE1-NH1 3.44Å; E190-R508 VanDerWaalsContact OE1-NH1 3.13Å; E190-R508 IonicContact OE2-CZ 3.4Å; E190-R508 IonicContact OE2-NH1 2.76Å; E190-R508 PolarHBondContact OE2-NH1 3.49Å; F192-R508 VanDerWaalsContact CD1-NH2 3.27Å; E227-R508 IonicContact OE1-CZ 3.4Å; E227-R508 VanDerWaalsContact OE1-CZ 3.27Å; E227-R508 IonicContact OE1-NE 3.55Å; E227-R508 PolarHBondContact OE1-NE 3Å; E227-R508 IonicContact OE1-NH2 3.28Å; E227-R508 PolarHBondContact OE1-NH2 2.96Å; H506-R508 PolarHBondContact O-N 3.33Å
509	C	93	Very high	90.7	Very high	11 Å²	11	45.4 Å²	45.4	7%	0.074	22%	0.223	C	C	.	.			trans	-145	160.8	175.9	67.9	0	0	0	0	109.8	P191 M336 K507	P191-C509 WeakPolarHBondContact CD-O 3.47Å; M336-C509 PolarHBondContact SD-SG 3.1Å; K507-C509 PolarHBondContact O-N 3.12Å
510	Y	95.5	Very high	87.9	Confident	100 Å²	100	49.8 Å²	49.8	39%	0.392	25%	0.249	S	C	.	.			trans	-101.2	132	174.5	-70	-79.3	0	0	0	110	K188 F189 E190	K188-Y510 HydrophobicContact CB-CD1 4.38Å; K188-Y510 HydrophobicContact CD-CD1 3.94Å; K188-Y510 HydrophobicContact CD-CG 3.99Å; K188-Y510 HydrophobicContact CG-CD1 3.99Å; K188-Y510 HydrophobicContact CG-CG 4.44Å; F189-Y510 WeakPolarHBondContact O-CA 3.2Å; E190-Y510 HydrophobicContact CB-CD1 4.35Å; E190-Y510 HydrophobicContact CB-CE1 4.19Å
511	L	96.7	Very high	84.9	Confident	2 Å²	2	59.5 Å²	59.5	1%	0.01	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	162.6	179.5	-58	-178.6	0	0	0	110.2	K188 F189 P191 V335 M336 V339 V494	K188-L511 WeakPolarHBondContact CA-O 3.28Å; F189-L511 WeakPolarHBondContact CD1-O 3.46Å; F189-L511 HydrophobicContact CE1-CB 3.96Å; F189-L511 HydrophobicContact CZ-CB 4.21Å; F189-L511 PolarHBondContact N-O 2.85Å; F189-L511 PolarHBondContact O-N 3.28Å; P191-L511 HydrophobicContact CG-CB 4.44Å; P191-L511 HydrophobicContact CG-CD1 3.41Å; P191-L511 VanDerWaalsContact CG-CD1 3.41Å; P191-L511 HydrophobicContact CG-CG 3.94Å; V335-L511 HydrophobicContact CG1-CD1 3.68Å; M336-L511 HydrophobicContact SD-CD1 4.19Å; V339-L511 HydrophobicContact CG1-CD2 4.1Å; V339-L511 HydrophobicContact CG2-CD1 4.02Å; V494-L511 HydrophobicContact CG2-CD2 4.22Å
512	G	96.3	Very high	84.3	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	152.2	168.9	0	0	0	0	0	110.9	Y487	Y487-G512 VanDerWaalsContact CE1-C 3.5Å; Y487-G512 PolarHBondContact N-O 2.6Å; Y487-G512 PolarHBondContact O-N 2.85Å
513	V	96.8	Very high	83.6	Confident	9 Å²	9	64.5 Å²	64.5	6%	0.055	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	141	172.6	63.1	0	0	0	0	110.3	L179 M183 F189 L484 H485 F486	L179-V513 HydrophobicContact CB-CG1 4.09Å; M183-V513 HydrophobicContact CG-CG1 3.42Å; M183-V513 VanDerWaalsContact CG-CG1 3.42Å; M183-V513 WeakPolarHBondContact CG-O 3.46Å; M183-V513 HydrophobicContact SD-CG1 4.03Å; F189-V513 HydrophobicContact CD1-CB 4.43Å; F189-V513 HydrophobicContact CD1-CG1 3.83Å; F189-V513 HydrophobicContact CE1-CB 3.67Å; F189-V513 HydrophobicContact CE1-CG1 3.52Å; F189-V513 HydrophobicContact CZ-CB 4.27Å; F189-V513 HydrophobicContact CZ-CG1 4.22Å; L484-V513 HydrophobicContact CB-CG2 3.67Å; L484-V513 HydrophobicContact CD1-CG2 3.98Å; L484-V513 HydrophobicContact CD2-CG2 3.94Å; L484-V513 HydrophobicContact CG-CG2 4.08Å; H485-V513 WeakPolarHBondContact O-CA 3.49Å; F486-V513 HydrophobicContact CD1-CB 3.9Å; F486-V513 HydrophobicContact CD1-CG2 3.7Å; F486-V513 HydrophobicContact CE1-CB 4.13Å; F486-V513 HydrophobicContact CE1-CG2 3.69Å; F486-V513 HydrophobicContact CG-CG2 4.31Å; F486-V513 HydrophobicContact CZ-CG2 4.28Å
514	S	96	Very high	82.8	Confident	46 Å²	46	68 Å²	68	32%	0.322	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	152.6	176.8	55.8	0	0	0	0	110.7	L484 H485	L484-S514 CarbonylContact C-O 3.21Å; L484-S514 WeakPolarHBondContact CA-O 3.5Å; H485-S514 PolarHBondContact N-O 3.11Å; H485-S514 PolarHBondContact O-N 2.79Å
515	M	95.7	Very high	82	Confident	87 Å²	87	72 Å²	72	43%	0.429	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	140.7	170.8	-66.7	-60.8	-67.4	0	0	110.7	I176 Q180 K483 L484	I176-M515 HydrophobicContact CG2-CE 4.48Å; I176-M515 HydrophobicContact CG2-SD 4.13Å; Q180-M515 HydrophobicContact CG-CG 4.28Å; Q180-M515 HydrophobicContact CG-SD 3.94Å; Q180-M515 PolarHBondContact NE2-SD 3.28Å; K483-M515 HydrophobicContact CB-CE 4.31Å; K483-M515 CarbonylContact O-C 3.32Å; K483-M515 WeakPolarHBondContact O-CA 3.49Å; L484-M515 HydrophobicContact CD2-SD 3.47Å; L484-M515 WeakPolarHBondContact CD2-SD 3.3Å
516	R	92.3	Very high	81.1	Confident	35 Å²	35	75.6 Å²	75.6	13%	0.132	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-75.5	132	165.2	-66.4	-170.8	176.9	-100.7	-3.9	108.5	E345 E346 F349 I481 K483 L484 H485	E345-R516 VanDerWaalsContact CD-NH2 3.33Å; E345-R516 IonicContact OE1-NH2 2.71Å; E345-R516 PolarHBondContact OE1-NH2 3.16Å; E346-R516 IonicContact OE2-CZ 3.15Å; E346-R516 IonicContact OE2-NH1 2.63Å; E346-R516 PolarHBondContact OE2-NH1 3.04Å; E346-R516 IonicContact OE2-NH2 2.63Å; F349-R516 HydrophobicContact CE2-CB 4.25Å; F349-R516 HydrophobicContact CE2-CG 4.35Å; F349-R516 VanDerWaalsContact CG-NH1 3.29Å; F349-R516 HydrophobicContact CZ-CB 4.38Å; I481-R516 WeakPolarHBondContact O-CD 3.43Å; I481-R516 PolarHBondContact O-NE 2.79Å; K483-R516 PolarHBondContact O-N 3.08Å; L484-R516 PolarHBondContact O-NE 3.1Å; H485-R516 HydrophobicContact CB-CG 4.08Å; H485-R516 PolarHBondContact ND1-NH2 3.37Å
517	A	72.9	Confident	80.2	Confident	78 Å²	78	80.2 Å²	80.2	65%	0.645	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-64.8	136.1	176.9	0	0	0	0	0	109.4	D519	A517-D519 PolarHBondContact O-N 3Å
518	K	63.7	Low	79.3	Confident	124 Å²	124	79.1 Å²	79.1	54%	0.539	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-69.1	125	156.3	-70.6	-169.7	172.7	-157.8	0	105.3	L358 D520	L358-K518 VanDerWaalsContact O-CE 3.27Å; L358-K518 WeakPolarHBondContact O-CE 3.45Å; L358-K518 PolarHBondContact O-NZ 3.26Å; K518-D520 PolarHBondContact O-N 2.86Å
519	D	49.7	Very low	78.3	Confident	97 Å²	97	77.6 Å²	77.6	52%	0.519	40%	0.399	S	S	.	.			trans	-60.1	110.7	170.6	-72.7	-34.8	0	0	0	106.9	K353 A517 Q521	K353-D519 IonicContact NZ-OD2 3.09Å; K353-D519 PolarHBondContact NZ-OD2 3.25Å; A517-D519 PolarHBondContact O-N 3Å; D519-Q521 VanDerWaalsContact C-N 3.31Å; D519-Q521 PolarHBondContact O-N 3.34Å
520	D	37	Very low	77.1	Confident	168 Å²	168	83.2 Å²	83.2	90%	0.898	43%	0.426	S	S	*	.			trans	-66.8	95.3	165.8	-76.3	-28.1	0	0	0	106.5	K518	K518-D520 PolarHBondContact O-N 2.86Å
521	Q	32.8	Very low	75.4	Confident	252 Å²	252	81.6 Å²	81.6	100%	1.178	43%	0.43	S	S	*	.			trans	-113.5	0	164.2	-78.3	-168.3	7.1	0	0	110.8	D519	D519-Q521 VanDerWaalsContact C-N 3.31Å; D519-Q521 PolarHBondContact O-N 3.34Å

Retrieved 521 of 521 residues in 113.4 ms (Link to these results)

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