A0A024R6K8_HUMAN Loading...

Tryptophan--tRNA ligase, cytoplasmic

AlphaFold DB (P23381), UniProt , Accession A0A024R6K8, Species HUMAN (Homo sapiens, Human), Gene n/a, Length 471 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	35	Very low	56.5	Low	229 Å²	229	118.6 Å²	118.6	100%	1.128	67%	0.674	S	S	*	*				0	110.4	0	-63	-72.4	-171.4	0	0	106.2	N3	M1-N3 PolarHBondContact O-N 3.46Å
2	P	35.5	Very low	59.1	Low	133 Å²	133	110.6 Å²	110.6	86%	0.864	63%	0.627	S	S	*	*			trans	-65	122	173.3	-5.3	21.1	0	0	0	107.1	S4	P2-S4 PolarHBondContact O-N 2.86Å
3	N	33.3	Very low	61.4	Low	162 Å²	162	103.1 Å²	103.1	87%	0.866	58%	0.583	S	S	*	*			trans	-57.4	108	167.2	-98	-8.5	0	0	0	106.8	M1 E5	M1-N3 PolarHBondContact O-N 3.46Å; N3-E5 PolarHBondContact O-N 2.88Å; N3-E5 VanDerWaalsContact O-N 3.11Å
4	S	36.3	Very low	63.4	Low	112 Å²	112	101.6 Å²	101.6	78%	0.783	57%	0.573	S	S	*	*			trans	-61.1	112.8	164.6	50.1	0	0	0	0	106.7	P2	P2-S4 PolarHBondContact O-N 2.86Å
5	E	37.7	Very low	65.3	Low	178 Å²	178	98.3 Å²	98.3	83%	0.832	56%	0.56	S	S	*	*	P	Polyproline II helix	trans	-53	137.9	167	-80.5	-179.1	151.8	0	0	108.5	N3 A7	N3-E5 PolarHBondContact O-N 2.88Å; N3-E5 VanDerWaalsContact O-N 3.11Å; E5-A7 PolarHBondContact O-N 3.48Å
6	P	49.7	Very low	67.1	Low	122 Å²	122	92.3 Å²	92.3	79%	0.792	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-58.7	131.2	174.5	23.4	-30.1	0	0	0	108.7	S8	P6-S8 PolarHBondContact O-N 2.67Å
7	A	61.8	Low	68.5	Low	59 Å²	59	88.4 Å²	88.4	49%	0.488	51%	0.507	S	S	.	.	P	Polyproline II helix	trans	-49.9	132.4	174.5	0	0	0	0	0	109.4	E5 E11 L12	E5-A7 PolarHBondContact O-N 3.48Å; A7-E11 WeakPolarHBondContact CA-OE2 2.94Å; A7-E11 HydrophobicContact CB-CB 4.41Å; A7-L12 HydrophobicContact CB-CG 4.47Å
8	S	80.6	Confident	69.7	Low	55 Å²	55	88.6 Å²	88.6	39%	0.385	51%	0.51	S	S	.	.	P	Polyproline II helix	trans	-60.6	152.9	176.4	66.9	0	0	0	0	110.2	P6 L10 E11 L12	P6-S8 PolarHBondContact O-N 2.67Å; S8-L10 PolarHBondContact O-N 3.34Å; S8-L10 VanDerWaalsContact O-N 3.16Å; S8-E11 PolarHBondContact N-OE2 2.75Å; S8-E11 WeakPolarHBondContact O-CB 3.3Å; S8-E11 PolarHBondContact O-N 2.99Å; S8-E11 VanDerWaalsContact OG-CD 3.3Å; S8-E11 WeakPolarHBondContact OG-CG 3.37Å; S8-E11 PolarHBondContact OG-N 3.21Å; S8-E11 PolarHBondContact OG-OE2 3.46Å; S8-E11 VanDerWaalsContact OG-OE2 3.05Å; S8-L12 PolarHBondContact O-N 2.88Å
9	L	83	Confident	71.1	Confident	65 Å²	65	85 Å²	85	34%	0.34	49%	0.488	S	S	.	.	H	α-helix	trans	-53.4	-36.3	175.6	-91.8	162.9	0	0	0	112.5	L12 F13 Y50 A53 A54 P64	L9-L12 PolarHBondContact O-N 2.8Å; L9-F13 WeakPolarHBondContact O-CB 3.49Å; L9-F13 PolarHBondContact O-N 2.88Å; L9-Y50 HydrophobicContact CD2-CD2 4.27Å; L9-Y50 HydrophobicContact CD2-CE2 4.13Å; L9-A53 HydrophobicContact CD2-CB 3.83Å; L9-A53 HydrophobicContact CG-CB 4.38Å; L9-A54 HydrophobicContact CD2-CB 3.61Å; L9-P64 HydrophobicContact CB-CB 4.02Å; L9-P64 HydrophobicContact CB-CG 3.85Å; L9-P64 WeakPolarHBondContact O-CG 3.03Å
10	L	82.5	Confident	72.1	Confident	83 Å²	83	81.5 Å²	81.5	44%	0.435	47%	0.471	S	S	.	.	H	α-helix	trans	-68.6	-38.2	177.5	-172.6	62.9	0	0	0	112.2	S8 F13 N14 P63	S8-L10 PolarHBondContact O-N 3.34Å; S8-L10 VanDerWaalsContact O-N 3.16Å; L10-F13 WeakPolarHBondContact O-CB 3.4Å; L10-F13 PolarHBondContact O-N 3.19Å; L10-N14 WeakPolarHBondContact O-CB 3.41Å; L10-N14 VanDerWaalsContact O-CG 3.27Å; L10-N14 PolarHBondContact O-N 3.15Å; L10-N14 PolarHBondContact O-ND2 3.45Å; L10-P63 HydrophobicContact CD1-CB 4.29Å
11	E	86	Confident	73	Confident	107 Å²	107	83.3 Å²	83.3	50%	0.5	48%	0.475	S	S	.	.	H	α-helix	trans	-66.3	-41.2	173.9	-74.4	165	154.9	0	0	111.9	A7 S8 N14 S15	A7-E11 WeakPolarHBondContact CA-OE2 2.94Å; A7-E11 HydrophobicContact CB-CB 4.41Å; S8-E11 PolarHBondContact N-OE2 2.75Å; S8-E11 WeakPolarHBondContact O-CB 3.3Å; S8-E11 PolarHBondContact O-N 2.99Å; S8-E11 VanDerWaalsContact OG-CD 3.3Å; S8-E11 WeakPolarHBondContact OG-CG 3.37Å; S8-E11 PolarHBondContact OG-N 3.21Å; S8-E11 PolarHBondContact OG-OE2 3.46Å; S8-E11 VanDerWaalsContact OG-OE2 3.05Å; E11-N14 PolarHBondContact O-N 3.04Å; E11-S15 VanDerWaalsContact O-CB 3.3Å; E11-S15 WeakPolarHBondContact O-CB 3.35Å; E11-S15 PolarHBondContact O-N 3.42Å; E11-S15 PolarHBondContact O-OG 2.82Å
12	L	88.1	Confident	75.8	Confident	22 Å²	22	75.9 Å²	75.9	12%	0.115	44%	0.44	C	S	.	.	H	α-helix	trans	-60.2	-45	173	-91	150.6	0	0	0	111.4	A7 S8 L9 S15 I16 Y50 A53	A7-L12 HydrophobicContact CB-CG 4.47Å; S8-L12 PolarHBondContact O-N 2.88Å; L9-L12 PolarHBondContact O-N 2.8Å; L12-S15 PolarHBondContact O-N 2.95Å; L12-I16 WeakPolarHBondContact O-CG1 3.39Å; L12-I16 PolarHBondContact O-N 3.42Å; L12-Y50 HydrophobicContact CB-CD2 4.16Å; L12-A53 HydrophobicContact CD1-CB 4.25Å
13	F	88.9	Confident	78.5	Confident	13 Å²	13	70.1 Å²	70.1	6%	0.057	40%	0.402	C	S	.	.	H	α-helix	trans	-58.6	-50.2	176.8	-174	-90.6	0	0	0	112.1	L9 L10 S15 I16 A17 Y50 Y58 K59 A60 C62 P63 P64	L9-F13 WeakPolarHBondContact O-CB 3.49Å; L9-F13 PolarHBondContact O-N 2.88Å; L10-F13 WeakPolarHBondContact O-CB 3.4Å; L10-F13 PolarHBondContact O-N 3.19Å; F13-S15 VanDerWaalsContact C-N 3.3Å; F13-S15 PolarHBondContact O-N 3.21Å; F13-I16 PolarHBondContact O-N 3.08Å; F13-A17 PolarHBondContact O-N 3.33Å; F13-A17 VanDerWaalsContact O-N 3.08Å; F13-Y50 HydrophobicContact CB-CD2 4.48Å; F13-Y50 HydrophobicContact CB-CE2 3.99Å; F13-Y50 AromaticContact CD2-CE2 3.91Å; F13-Y50 HydrophobicContact CD2-CE2 3.91Å; F13-Y50 HydrophobicContact CG-CE2 4.48Å; F13-Y58 HydrophobicContact CD1-CE2 4.46Å; F13-Y58 AromaticContact CD2-CD2 3.68Å; F13-Y58 HydrophobicContact CD2-CD2 3.68Å; F13-Y58 AromaticContact CD2-CE2 3.47Å; F13-Y58 HydrophobicContact CD2-CE2 3.47Å; F13-Y58 VanDerWaalsContact CD2-CE2 3.47Å; F13-Y58 HydrophobicContact CE1-CE2 4.44Å; F13-Y58 AromaticContact CE2-CD2 3.86Å; F13-Y58 HydrophobicContact CE2-CD2 3.86Å; F13-Y58 AromaticContact CE2-CE2 3.47Å; F13-Y58 HydrophobicContact CE2-CE2 3.47Å; F13-Y58 VanDerWaalsContact CE2-CE2 3.47Å; F13-Y58 HydrophobicContact CG-CD2 4.48Å; F13-Y58 AromaticContact CG-CE2 4Å; F13-Y58 HydrophobicContact CG-CE2 4Å; F13-Y58 AromaticContact CZ-CE2 3.98Å; F13-Y58 HydrophobicContact CZ-CE2 3.98Å; F13-K59 WeakPolarHBondContact CE2-O 3.28Å; F13-A60 WeakPolarHBondContact CZ-O 3.47Å; F13-C62 WeakPolarHBondContact CE2-O 3.46Å; F13-P63 HydrophobicContact CD1-CB 4.06Å; F13-P63 HydrophobicContact CE1-CB 3.79Å; F13-P63 HydrophobicContact CZ-CB 4.05Å; F13-P64 HydrophobicContact CB-CG 4.04Å; F13-P64 VanDerWaalsContact CD2-CD 3.45Å; F13-P64 HydrophobicContact CG-CG 4.46Å
14	N	89.4	Confident	81.3	Confident	82 Å²	82	70.1 Å²	70.1	44%	0.439	39%	0.39	S	S	.	.	H	α-helix	trans	-65.6	-34.3	178.9	-69.6	-21.7	0	0	0	112.1	L10 E11 A17 T18	L10-N14 WeakPolarHBondContact O-CB 3.41Å; L10-N14 VanDerWaalsContact O-CG 3.27Å; L10-N14 PolarHBondContact O-N 3.15Å; L10-N14 PolarHBondContact O-ND2 3.45Å; E11-N14 PolarHBondContact O-N 3.04Å; N14-A17 PolarHBondContact O-N 3.02Å; N14-T18 WeakPolarHBondContact O-CB 3.48Å; N14-T18 PolarHBondContact O-N 3.34Å; N14-T18 PolarHBondContact O-OG1 3.21Å
15	S	91.9	Very high	84	Confident	53 Å²	53	68 Å²	68	37%	0.371	38%	0.375	S	S	.	.	H	α-helix	trans	-65.9	-40.9	175.1	-60.8	0	0	0	0	111.7	E11 L12 F13 T18 Q19	E11-S15 VanDerWaalsContact O-CB 3.3Å; E11-S15 WeakPolarHBondContact O-CB 3.35Å; E11-S15 PolarHBondContact O-N 3.42Å; E11-S15 PolarHBondContact O-OG 2.82Å; L12-S15 PolarHBondContact O-N 2.95Å; F13-S15 VanDerWaalsContact C-N 3.3Å; F13-S15 PolarHBondContact O-N 3.21Å; S15-T18 PolarHBondContact O-N 2.95Å; S15-Q19 VanDerWaalsContact O-CB 3.27Å; S15-Q19 WeakPolarHBondContact O-CB 3.37Å; S15-Q19 PolarHBondContact O-N 2.9Å
16	I	94	Very high	86.6	Confident	1 Å²	1	61.2 Å²	61.2	1%	0.005	35%	0.345	C	S	.	.	H	α-helix	trans	-63.7	-43.6	174.9	-66.8	165.2	0	0	0	110.8	L12 F13 Q19 G20 L43 L46 K47 Y50 Y58	L12-I16 WeakPolarHBondContact O-CG1 3.39Å; L12-I16 PolarHBondContact O-N 3.42Å; F13-I16 PolarHBondContact O-N 3.08Å; I16-Q19 PolarHBondContact O-N 2.98Å; I16-G20 PolarHBondContact O-N 3.08Å; I16-L43 HydrophobicContact CG2-CD1 3.89Å; I16-L46 HydrophobicContact CD1-CB 4.47Å; I16-L46 HydrophobicContact CG1-CB 3.6Å; I16-K47 HydrophobicContact CD1-CG 4.15Å; I16-K47 HydrophobicContact CG1-CG 4.37Å; I16-K47 HydrophobicContact CG2-CG 3.94Å; I16-Y50 VanDerWaalsContact CD1-CB 3.43Å; I16-Y50 HydrophobicContact CD1-CD2 4.14Å; I16-Y50 HydrophobicContact CD1-CG 3.83Å; I16-Y58 HydrophobicContact CB-CD2 3.89Å; I16-Y58 HydrophobicContact CB-CE2 3.72Å; I16-Y58 HydrophobicContact CB-CG 4.35Å; I16-Y58 HydrophobicContact CD1-CD2 3.58Å; I16-Y58 HydrophobicContact CD1-CE2 4.27Å; I16-Y58 HydrophobicContact CD1-CG 3.89Å; I16-Y58 HydrophobicContact CG1-CD2 4.34Å; I16-Y58 HydrophobicContact CG2-CD1 3.61Å; I16-Y58 HydrophobicContact CG2-CD2 3.7Å; I16-Y58 HydrophobicContact CG2-CE1 3.51Å; I16-Y58 HydrophobicContact CG2-CE2 3.61Å; I16-Y58 HydrophobicContact CG2-CG 3.69Å
17	A	90	Very high	88.5	Confident	27 Å²	27	61.1 Å²	61.1	22%	0.223	33%	0.332	C	S	.	.	H	α-helix	trans	-59.2	-50.3	177.7	0	0	0	0	0	111	F13 N14 Q19 G20 E21	F13-A17 PolarHBondContact O-N 3.33Å; F13-A17 VanDerWaalsContact O-N 3.08Å; N14-A17 PolarHBondContact O-N 3.02Å; A17-Q19 PolarHBondContact O-N 3.49Å; A17-G20 PolarHBondContact O-N 3.4Å; A17-E21 PolarHBondContact O-N 2.82Å
18	T	91.8	Very high	89.8	Confident	91 Å²	91	62.4 Å²	62.4	56%	0.558	34%	0.342	S	S	*	.	H	α-helix	trans	-60.2	-45.1	178.5	-52.7	0	0	0	0	111.6	N14 S15 G20 E21 L22	N14-T18 WeakPolarHBondContact O-CB 3.48Å; N14-T18 PolarHBondContact O-N 3.34Å; N14-T18 PolarHBondContact O-OG1 3.21Å; S15-T18 PolarHBondContact O-N 2.95Å; T18-G20 VanDerWaalsContact C-N 3.32Å; T18-G20 PolarHBondContact O-N 3.18Å; T18-E21 PolarHBondContact O-N 3.39Å; T18-L22 PolarHBondContact O-N 3.41Å
19	Q	95	Very high	90.4	Very high	21 Å²	21	62.6 Å²	62.6	10%	0.098	35%	0.353	C	S	.	.	H	α-helix	trans	-67.6	-34.2	178.5	-168.2	66.5	13.5	0	0	111.9	S15 I16 A17 L22 V23 A39 M42 L43 L46	S15-Q19 VanDerWaalsContact O-CB 3.27Å; S15-Q19 WeakPolarHBondContact O-CB 3.37Å; S15-Q19 PolarHBondContact O-N 2.9Å; I16-Q19 PolarHBondContact O-N 2.98Å; A17-Q19 PolarHBondContact O-N 3.49Å; Q19-L22 PolarHBondContact O-N 3.46Å; Q19-V23 WeakPolarHBondContact O-CG2 3.42Å; Q19-V23 PolarHBondContact O-N 2.81Å; Q19-A39 PolarHBondContact NE2-O 2.88Å; Q19-A39 VanDerWaalsContact NE2-O 3.08Å; Q19-M42 HydrophobicContact CG-CG 4.37Å; Q19-L43 HydrophobicContact CB-CD1 4.01Å; Q19-L43 HydrophobicContact CG-CB 3.85Å; Q19-L43 HydrophobicContact CG-CD1 4.14Å; Q19-L46 HydrophobicContact CB-CD1 3.74Å; Q19-L46 HydrophobicContact CG-CD1 4Å
20	G	92.1	Very high	90.7	Very high	14 Å²	14	66.6 Å²	66.6	14%	0.144	38%	0.375	C	S	.	.	H	α-helix	trans	-64.6	-39.1	173.7	0	0	0	0	0	112.5	I16 A17 T18 V23 R24	I16-G20 PolarHBondContact O-N 3.08Å; A17-G20 PolarHBondContact O-N 3.4Å; T18-G20 VanDerWaalsContact C-N 3.32Å; T18-G20 PolarHBondContact O-N 3.18Å; G20-V23 PolarHBondContact O-N 3.24Å; G20-R24 WeakPolarHBondContact O-CG 3.4Å; G20-R24 PolarHBondContact O-N 3.31Å; G20-R24 VanDerWaalsContact O-N 3.13Å; G20-R24 PolarHBondContact O-NE 2.9Å
21	E	91.1	Very high	91.1	Very high	120 Å²	120	63.9 Å²	63.9	56%	0.561	36%	0.364	S	S	*	.	H	α-helix	trans	-65.4	-41.3	171.9	-72.2	179.7	179.7	0	0	112.5	A17 T18 V23 R24 S25	A17-E21 PolarHBondContact O-N 2.82Å; T18-E21 PolarHBondContact O-N 3.39Å; E21-V23 PolarHBondContact O-N 2.99Å; E21-R24 PolarHBondContact O-N 3.38Å; E21-R24 VanDerWaalsContact O-N 3.16Å; E21-S25 PolarHBondContact O-N 3.41Å; E21-S25 PolarHBondContact O-OG 3.35Å
22	L	93.4	Very high	91.5	Very high	74 Å²	74	61.5 Å²	61.5	39%	0.387	36%	0.359	S	S	.	.	H	α-helix	trans	-59.9	-44.4	174.3	-179.7	63	0	0	0	112	T18 Q19 R24 S25 L26	T18-L22 PolarHBondContact O-N 3.41Å; Q19-L22 PolarHBondContact O-N 3.46Å; L22-R24 VanDerWaalsContact C-N 3.28Å; L22-R24 PolarHBondContact O-N 2.83Å; L22-S25 PolarHBondContact O-N 2.88Å; L22-S25 PolarHBondContact O-OG 3.4Å; L22-L26 HydrophobicContact CD1-CD1 4.16Å; L22-L26 HydrophobicContact CD1-CG 4.1Å; L22-L26 HydrophobicContact CG-CD1 4Å; L22-L26 HydrophobicContact CG-CG 4.37Å; L22-L26 WeakPolarHBondContact O-CB 3.44Å; L22-L26 VanDerWaalsContact O-CG 3.27Å; L22-L26 WeakPolarHBondContact O-CG 3.28Å; L22-L26 PolarHBondContact O-N 3.2Å
23	V	92.9	Very high	91.7	Very high	11 Å²	11	67.9 Å²	67.9	7%	0.067	39%	0.386	C	S	.	.	H	α-helix	trans	-61.8	-39.1	176.3	171.2	0	0	0	0	111.2	Q19 G20 E21 K27 A39 V40 L43	Q19-V23 WeakPolarHBondContact O-CG2 3.42Å; Q19-V23 PolarHBondContact O-N 2.81Å; G20-V23 PolarHBondContact O-N 3.24Å; E21-V23 PolarHBondContact O-N 2.99Å; V23-K27 HydrophobicContact CG1-CD 4.24Å; V23-K27 WeakPolarHBondContact O-CB 3.37Å; V23-K27 VanDerWaalsContact O-CG 3.32Å; V23-K27 WeakPolarHBondContact O-CG 3.36Å; V23-K27 PolarHBondContact O-N 3.15Å; V23-A39 HydrophobicContact CG2-CB 3.85Å; V23-V40 HydrophobicContact CG1-CG2 3.85Å; V23-V40 HydrophobicContact CG2-CG2 4.1Å; V23-L43 HydrophobicContact CG2-CB 4.48Å; V23-L43 HydrophobicContact CG2-CD2 4.17Å
24	R	91.2	Very high	91.9	Very high	163 Å²	163	73.3 Å²	73.3	62%	0.615	42%	0.416	S	S	*	.	H	α-helix	trans	-66.8	-43.2	176.7	-75.7	-177.1	-75.6	-135	2.3	111.8	G20 E21 L22 K27 A28	G20-R24 WeakPolarHBondContact O-CG 3.4Å; G20-R24 PolarHBondContact O-N 3.31Å; G20-R24 VanDerWaalsContact O-N 3.13Å; G20-R24 PolarHBondContact O-NE 2.9Å; E21-R24 PolarHBondContact O-N 3.38Å; E21-R24 VanDerWaalsContact O-N 3.16Å; L22-R24 VanDerWaalsContact C-N 3.28Å; L22-R24 PolarHBondContact O-N 2.83Å; R24-K27 PolarHBondContact O-N 3.27Å; R24-A28 WeakPolarHBondContact O-CB 3.48Å; R24-A28 PolarHBondContact O-N 2.78Å
25	S	92.4	Very high	92	Very high	67 Å²	67	74.5 Å²	74.5	47%	0.469	42%	0.419	S	S	.	.	H	α-helix	trans	-67.8	-41.3	179.7	69	0	0	0	0	112.3	E21 L22 K27 A28 G29	E21-S25 PolarHBondContact O-N 3.41Å; E21-S25 PolarHBondContact O-OG 3.35Å; L22-S25 PolarHBondContact O-N 2.88Å; L22-S25 PolarHBondContact O-OG 3.4Å; S25-K27 VanDerWaalsContact C-N 3.35Å; S25-K27 PolarHBondContact O-N 3.12Å; S25-A28 PolarHBondContact O-N 3.42Å; S25-G29 PolarHBondContact O-N 2.96Å
26	L	93.3	Very high	92.1	Very high	36 Å²	36	73.4 Å²	73.4	19%	0.188	41%	0.408	C	S	.	.	H	α-helix	trans	-61.9	-41.5	175.6	-71.2	172.9	0	0	0	112.1	L22 G29 N30 A31 I36 A39	L22-L26 HydrophobicContact CD1-CD1 4.16Å; L22-L26 HydrophobicContact CD1-CG 4.1Å; L22-L26 HydrophobicContact CG-CD1 4Å; L22-L26 HydrophobicContact CG-CG 4.37Å; L22-L26 WeakPolarHBondContact O-CB 3.44Å; L22-L26 VanDerWaalsContact O-CG 3.27Å; L22-L26 WeakPolarHBondContact O-CG 3.28Å; L22-L26 PolarHBondContact O-N 3.2Å; L26-G29 PolarHBondContact O-N 2.98Å; L26-N30 PolarHBondContact O-N 2.91Å; L26-A31 HydrophobicContact CB-CB 3.94Å; L26-A31 HydrophobicContact CD2-CB 3.64Å; L26-A31 HydrophobicContact CG-CB 4.38Å; L26-A31 WeakPolarHBondContact O-CB 3.15Å; L26-A31 PolarHBondContact O-N 2.9Å; L26-I36 HydrophobicContact CB-CG1 4.1Å; L26-A39 HydrophobicContact CD1-CB 3.66Å
27	K	89.7	Confident	92	Very high	120 Å²	120	76.7 Å²	76.7	52%	0.522	43%	0.426	S	S	.	.	H	α-helix	trans	-66.3	-41.7	175.4	-75.4	178.5	177.3	-175.9	0	112.2	V23 R24 S25 G29 N30 I36	V23-K27 HydrophobicContact CG1-CD 4.24Å; V23-K27 WeakPolarHBondContact O-CB 3.37Å; V23-K27 VanDerWaalsContact O-CG 3.32Å; V23-K27 WeakPolarHBondContact O-CG 3.36Å; V23-K27 PolarHBondContact O-N 3.15Å; R24-K27 PolarHBondContact O-N 3.27Å; S25-K27 VanDerWaalsContact C-N 3.35Å; S25-K27 PolarHBondContact O-N 3.12Å; K27-G29 VanDerWaalsContact C-N 3.31Å; K27-N30 PolarHBondContact O-N 2.94Å; K27-I36 HydrophobicContact CG-CD1 4.18Å; K27-I36 HydrophobicContact CG-CG2 4.19Å
28	A	89.3	Confident	92.1	Very high	85 Å²	85	79 Å²	79	70%	0.702	44%	0.441	S	S	*	.	H	α-helix	trans	-68	-32.2	177.2	0	0	0	0	0	112.5	R24 S25 N30	R24-A28 WeakPolarHBondContact O-CB 3.48Å; R24-A28 PolarHBondContact O-N 2.78Å; S25-A28 PolarHBondContact O-N 3.42Å; A28-N30 VanDerWaalsContact C-N 3.34Å
29	G	92	Very high	92.2	Very high	60 Å²	60	75 Å²	75	62%	0.619	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	4.5	179	0	0	0	0	0	115.4	S25 L26 K27 A31	S25-G29 PolarHBondContact O-N 2.96Å; L26-G29 PolarHBondContact O-N 2.98Å; K27-G29 VanDerWaalsContact C-N 3.31Å; G29-A31 PolarHBondContact O-N 2.99Å
30	N	90.5	Very high	92.2	Very high	148 Å²	148	76.4 Å²	76.4	79%	0.791	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	41.5	-173.9	-67.3	-35.4	0	0	0	113.2	L26 K27 A28	L26-N30 PolarHBondContact O-N 2.91Å; K27-N30 PolarHBondContact O-N 2.94Å; A28-N30 VanDerWaalsContact C-N 3.34Å
31	A	90.9	Very high	92.3	Very high	26 Å²	26	83.2 Å²	83.2	22%	0.215	45%	0.452	C	S	.	.			trans	-58.6	163	173.6	0	0	0	0	0	111.5	L26 G29 I36	L26-A31 HydrophobicContact CB-CB 3.94Å; L26-A31 HydrophobicContact CD2-CB 3.64Å; L26-A31 HydrophobicContact CG-CB 4.38Å; L26-A31 WeakPolarHBondContact O-CB 3.15Å; L26-A31 PolarHBondContact O-N 2.9Å; G29-A31 PolarHBondContact O-N 2.99Å; A31-I36 HydrophobicContact CB-CG1 4.3Å
32	S	94	Very high	92.4	Very high	57 Å²	57	82.5 Å²	82.5	40%	0.399	45%	0.45	S	S	.	.			trans	-61.9	149.8	180	67.7	0	0	0	0	111.2	D34 E35 I36	S32-D34 PolarHBondContact O-N 3.09Å; S32-E35 PolarHBondContact N-OE2 3.39Å; S32-E35 PolarHBondContact O-N 2.81Å; S32-E35 VanDerWaalsContact O-N 3.14Å; S32-E35 WeakPolarHBondContact OG-CB 3.44Å; S32-E35 VanDerWaalsContact OG-CD 3.23Å; S32-E35 VanDerWaalsContact OG-CG 3.22Å; S32-E35 WeakPolarHBondContact OG-CG 3.17Å; S32-E35 PolarHBondContact OG-N 2.94Å; S32-E35 PolarHBondContact OG-OE2 2.73Å; S32-I36 PolarHBondContact O-N 3.06Å; S32-I36 VanDerWaalsContact O-N 3.12Å
33	K	91	Very high	92.5	Very high	156 Å²	156	80.2 Å²	80.2	68%	0.678	44%	0.438	S	S	*	.	H	α-helix	trans	-55.7	-39.4	179.1	-175	-179.1	175.2	-174.1	0	111.8	E35 I36 D37	K33-E35 PolarHBondContact O-N 3.13Å; K33-I36 PolarHBondContact O-N 3.33Å; K33-D37 WeakPolarHBondContact O-CB 3.49Å; K33-D37 PolarHBondContact O-N 3.04Å
34	D	93.8	Very high	92.5	Very high	128 Å²	128	83.4 Å²	83.4	68%	0.684	46%	0.458	S	S	*	.	H	α-helix	trans	-65.6	-37.5	-179.4	-63.1	-27	0	0	0	112.3	S32 S38	S32-D34 PolarHBondContact O-N 3.09Å; D34-S38 VanDerWaalsContact O-CB 3.31Å; D34-S38 WeakPolarHBondContact O-CB 3.13Å; D34-S38 PolarHBondContact O-N 3.03Å
35	E	92.5	Very high	92.5	Very high	106 Å²	106	78.8 Å²	78.8	50%	0.495	45%	0.45	S	S	.	.	H	α-helix	trans	-66.8	-44	174.4	-75.3	167.1	143.2	0	0	111.9	S32 K33 S38 A39	S32-E35 PolarHBondContact N-OE2 3.39Å; S32-E35 PolarHBondContact O-N 2.81Å; S32-E35 VanDerWaalsContact O-N 3.14Å; S32-E35 WeakPolarHBondContact OG-CB 3.44Å; S32-E35 VanDerWaalsContact OG-CD 3.23Å; S32-E35 VanDerWaalsContact OG-CG 3.22Å; S32-E35 WeakPolarHBondContact OG-CG 3.17Å; S32-E35 PolarHBondContact OG-N 2.94Å; S32-E35 PolarHBondContact OG-OE2 2.73Å; K33-E35 PolarHBondContact O-N 3.13Å; E35-S38 PolarHBondContact O-N 2.76Å; E35-A39 WeakPolarHBondContact O-CB 3.35Å; E35-A39 PolarHBondContact O-N 2.97Å
36	I	92.5	Very high	92.5	Very high	30 Å²	30	77.3 Å²	77.3	15%	0.154	44%	0.437	C	S	.	.	H	α-helix	trans	-62.9	-47	177.2	-64	169.6	0	0	0	110.1	L26 K27 A31 S32 K33 S38 A39 V40	L26-I36 HydrophobicContact CB-CG1 4.1Å; K27-I36 HydrophobicContact CG-CD1 4.18Å; K27-I36 HydrophobicContact CG-CG2 4.19Å; A31-I36 HydrophobicContact CB-CG1 4.3Å; S32-I36 PolarHBondContact O-N 3.06Å; S32-I36 VanDerWaalsContact O-N 3.12Å; K33-I36 PolarHBondContact O-N 3.33Å; I36-S38 VanDerWaalsContact C-N 3.32Å; I36-S38 PolarHBondContact O-N 3.49Å; I36-A39 PolarHBondContact O-N 3.4Å; I36-V40 HydrophobicContact CG2-CG2 4.24Å; I36-V40 WeakPolarHBondContact O-CB 3.29Å; I36-V40 VanDerWaalsContact O-CG2 3.24Å; I36-V40 WeakPolarHBondContact O-CG2 3.31Å; I36-V40 PolarHBondContact O-N 3.35Å
37	D	92.1	Very high	92.5	Very high	70 Å²	70	79.9 Å²	79.9	37%	0.374	45%	0.447	S	S	.	.	H	α-helix	trans	-63.7	-38.1	-179.4	-76.4	-12.1	0	0	0	111.5	K33 K41	K33-D37 WeakPolarHBondContact O-CB 3.49Å; K33-D37 PolarHBondContact O-N 3.04Å; D37-K41 WeakPolarHBondContact O-CG 3.41Å; D37-K41 PolarHBondContact O-N 2.96Å
38	S	92.9	Very high	92.3	Very high	76 Å²	76	80.3 Å²	80.3	53%	0.531	45%	0.452	S	S	.	.	H	α-helix	trans	-63.4	-47.9	173.9	-172.3	0	0	0	0	111.9	D34 E35 I36 V40 K41 M42	D34-S38 VanDerWaalsContact O-CB 3.31Å; D34-S38 WeakPolarHBondContact O-CB 3.13Å; D34-S38 PolarHBondContact O-N 3.03Å; E35-S38 PolarHBondContact O-N 2.76Å; I36-S38 VanDerWaalsContact C-N 3.32Å; I36-S38 PolarHBondContact O-N 3.49Å; S38-V40 VanDerWaalsContact C-N 3.34Å; S38-V40 PolarHBondContact O-N 3.35Å; S38-K41 PolarHBondContact O-N 3.4Å; S38-M42 PolarHBondContact O-N 3.4Å; S38-M42 VanDerWaalsContact O-N 3.08Å
39	A	93.6	Very high	92.3	Very high	7 Å²	7	79 Å²	79	6%	0.058	44%	0.438	C	S	.	.	H	α-helix	trans	-64.2	-38.1	178.8	0	0	0	0	0	112.4	Q19 V23 L26 E35 I36 M42 L43	Q19-A39 PolarHBondContact NE2-O 2.88Å; Q19-A39 VanDerWaalsContact NE2-O 3.08Å; V23-A39 HydrophobicContact CG2-CB 3.85Å; L26-A39 HydrophobicContact CD1-CB 3.66Å; E35-A39 WeakPolarHBondContact O-CB 3.35Å; E35-A39 PolarHBondContact O-N 2.97Å; I36-A39 PolarHBondContact O-N 3.4Å; A39-M42 PolarHBondContact O-N 3.02Å; A39-L43 PolarHBondContact O-N 3.22Å
40	V	95.2	Very high	92	Very high	50 Å²	50	76.2 Å²	76.2	30%	0.303	41%	0.409	S	S	.	.	H	α-helix	trans	-66.4	-42.8	175.4	170.1	0	0	0	0	111.3	V23 I36 S38 M42 L43 V44	V23-V40 HydrophobicContact CG1-CG2 3.85Å; V23-V40 HydrophobicContact CG2-CG2 4.1Å; I36-V40 HydrophobicContact CG2-CG2 4.24Å; I36-V40 WeakPolarHBondContact O-CB 3.29Å; I36-V40 VanDerWaalsContact O-CG2 3.24Å; I36-V40 WeakPolarHBondContact O-CG2 3.31Å; I36-V40 PolarHBondContact O-N 3.35Å; S38-V40 VanDerWaalsContact C-N 3.34Å; S38-V40 PolarHBondContact O-N 3.35Å; V40-M42 VanDerWaalsContact C-N 3.3Å; V40-M42 PolarHBondContact O-N 3.09Å; V40-L43 WeakPolarHBondContact O-CB 3.49Å; V40-L43 PolarHBondContact O-N 3.22Å; V40-V44 HydrophobicContact CG1-CG2 4.48Å; V40-V44 WeakPolarHBondContact O-CG2 3.41Å; V40-V44 PolarHBondContact O-N 3.37Å
41	K	93.9	Very high	91.7	Very high	158 Å²	158	73.9 Å²	73.9	69%	0.687	39%	0.391	S	S	*	.	H	α-helix	trans	-59	-42.5	174.7	-79.3	178.9	-173.7	176.9	0	111.9	D37 S38 V44 S45	D37-K41 WeakPolarHBondContact O-CG 3.41Å; D37-K41 PolarHBondContact O-N 2.96Å; S38-K41 PolarHBondContact O-N 3.4Å; K41-V44 PolarHBondContact O-N 2.96Å; K41-S45 WeakPolarHBondContact O-CB 3.43Å; K41-S45 PolarHBondContact O-N 3.32Å
42	M	93.8	Very high	91.1	Very high	104 Å²	104	77 Å²	77	51%	0.512	42%	0.417	S	S	.	.	H	α-helix	trans	-65.2	-41.1	176	-175.1	175	-71.3	0	0	111.9	Q19 S38 A39 V40 V44 S45 L46	Q19-M42 HydrophobicContact CG-CG 4.37Å; S38-M42 PolarHBondContact O-N 3.4Å; S38-M42 VanDerWaalsContact O-N 3.08Å; A39-M42 PolarHBondContact O-N 3.02Å; V40-M42 VanDerWaalsContact C-N 3.3Å; V40-M42 PolarHBondContact O-N 3.09Å; M42-V44 PolarHBondContact O-N 2.59Å; M42-S45 WeakPolarHBondContact O-CB 3.44Å; M42-S45 PolarHBondContact O-N 2.82Å; M42-L46 HydrophobicContact CG-CD1 4.39Å; M42-L46 WeakPolarHBondContact O-CG 3.4Å; M42-L46 PolarHBondContact O-N 2.95Å
43	L	96.1	Very high	90.5	Very high	27 Å²	27	76.9 Å²	76.9	14%	0.141	42%	0.419	C	S	.	.	H	α-helix	trans	-60.5	-44.3	175.2	-178.4	61.7	0	0	0	112.1	I16 Q19 V23 A39 V40 L46 K47	I16-L43 HydrophobicContact CG2-CD1 3.89Å; Q19-L43 HydrophobicContact CB-CD1 4.01Å; Q19-L43 HydrophobicContact CG-CB 3.85Å; Q19-L43 HydrophobicContact CG-CD1 4.14Å; V23-L43 HydrophobicContact CG2-CB 4.48Å; V23-L43 HydrophobicContact CG2-CD2 4.17Å; A39-L43 PolarHBondContact O-N 3.22Å; V40-L43 WeakPolarHBondContact O-CB 3.49Å; V40-L43 PolarHBondContact O-N 3.22Å; L43-L46 PolarHBondContact O-N 3.05Å; L43-K47 WeakPolarHBondContact O-CG 3.23Å; L43-K47 PolarHBondContact O-N 2.97Å
44	V	91.6	Very high	90	Very high	78 Å²	78	71.1 Å²	71.1	47%	0.473	40%	0.401	S	S	.	.	H	α-helix	trans	-62.6	-44.5	175.9	172.4	0	0	0	0	110.5	V40 K41 M42 L46 K47 M48	V40-V44 HydrophobicContact CG1-CG2 4.48Å; V40-V44 WeakPolarHBondContact O-CG2 3.41Å; V40-V44 PolarHBondContact O-N 3.37Å; K41-V44 PolarHBondContact O-N 2.96Å; M42-V44 PolarHBondContact O-N 2.59Å; V44-L46 PolarHBondContact O-N 3Å; V44-K47 PolarHBondContact O-N 2.83Å; V44-M48 HydrophobicContact CG1-CG 4.5Å; V44-M48 HydrophobicContact CG1-SD 4.22Å; V44-M48 WeakPolarHBondContact O-CG 3.12Å; V44-M48 PolarHBondContact O-N 2.93Å
45	S	91.8	Very high	89.5	Confident	66 Å²	66	68.3 Å²	68.3	46%	0.462	40%	0.402	S	S	.	.	H	α-helix	trans	-58.5	-45.8	176.3	-172.5	0	0	0	0	112.1	K41 M42 K47 M48 S49	K41-S45 WeakPolarHBondContact O-CB 3.43Å; K41-S45 PolarHBondContact O-N 3.32Å; M42-S45 WeakPolarHBondContact O-CB 3.44Å; M42-S45 PolarHBondContact O-N 2.82Å; S45-K47 PolarHBondContact O-N 3.37Å; S45-M48 PolarHBondContact O-N 3.06Å; S45-S49 PolarHBondContact O-N 3.46Å; S45-S49 PolarHBondContact O-OG 3.5Å
46	L	93.2	Very high	88.9	Confident	35 Å²	35	67.6 Å²	67.6	18%	0.183	40%	0.399	C	S	.	.	H	α-helix	trans	-63.2	-42.1	178.3	-73.3	168.9	0	0	0	111.7	I16 Q19 M42 L43 V44 M48 S49 Y50	I16-L46 HydrophobicContact CD1-CB 4.47Å; I16-L46 HydrophobicContact CG1-CB 3.6Å; Q19-L46 HydrophobicContact CB-CD1 3.74Å; Q19-L46 HydrophobicContact CG-CD1 4Å; M42-L46 HydrophobicContact CG-CD1 4.39Å; M42-L46 WeakPolarHBondContact O-CG 3.4Å; M42-L46 PolarHBondContact O-N 2.95Å; L43-L46 PolarHBondContact O-N 3.05Å; V44-L46 PolarHBondContact O-N 3Å; L46-M48 VanDerWaalsContact C-N 3.33Å; L46-M48 PolarHBondContact O-N 3.32Å; L46-S49 PolarHBondContact O-N 3.22Å; L46-Y50 WeakPolarHBondContact O-CB 3.37Å; L46-Y50 PolarHBondContact O-N 3.48Å
47	K	91.4	Very high	88.6	Confident	91 Å²	91	70.6 Å²	70.6	40%	0.396	42%	0.415	S	S	.	.	H	α-helix	trans	-62.9	-38.7	175.5	-74.1	-175.1	175.9	-167.6	0	112.4	I16 L43 V44 S45 Y50 K51	I16-K47 HydrophobicContact CD1-CG 4.15Å; I16-K47 HydrophobicContact CG1-CG 4.37Å; I16-K47 HydrophobicContact CG2-CG 3.94Å; L43-K47 WeakPolarHBondContact O-CG 3.23Å; L43-K47 PolarHBondContact O-N 2.97Å; V44-K47 PolarHBondContact O-N 2.83Å; S45-K47 PolarHBondContact O-N 3.37Å; K47-Y50 PolarHBondContact O-N 2.77Å; K47-K51 WeakPolarHBondContact O-CB 3.4Å; K47-K51 PolarHBondContact O-N 2.99Å
48	M	87.1	Confident	88.2	Confident	129 Å²	129	69.1 Å²	69.1	64%	0.635	41%	0.405	S	S	*	.	H	α-helix	trans	-65.6	-42.8	174.1	-70.1	-179	73.1	0	0	111.9	V44 S45 L46 K51 A52	V44-M48 HydrophobicContact CG1-CG 4.5Å; V44-M48 HydrophobicContact CG1-SD 4.22Å; V44-M48 WeakPolarHBondContact O-CG 3.12Å; V44-M48 PolarHBondContact O-N 2.93Å; S45-M48 PolarHBondContact O-N 3.06Å; L46-M48 VanDerWaalsContact C-N 3.33Å; L46-M48 PolarHBondContact O-N 3.32Å; M48-K51 PolarHBondContact O-N 2.97Å; M48-A52 WeakPolarHBondContact O-CB 3.36Å; M48-A52 PolarHBondContact O-N 2.96Å
49	S	87.7	Confident	87.8	Confident	57 Å²	57	71.5 Å²	71.5	40%	0.399	41%	0.405	S	S	.	.	H	α-helix	trans	-63.1	-40.7	175	-64.1	0	0	0	0	112.1	S45 L46 A52 A53	S45-S49 PolarHBondContact O-N 3.46Å; S45-S49 PolarHBondContact O-OG 3.5Å; L46-S49 PolarHBondContact O-N 3.22Å; S49-A52 PolarHBondContact O-N 2.77Å; S49-A53 WeakPolarHBondContact O-CB 3.34Å; S49-A53 PolarHBondContact O-N 2.67Å
50	Y	85.9	Confident	87.1	Confident	2 Å²	2	74 Å²	74	1%	0.008	43%	0.426	C	S	.	.	H	α-helix	trans	-63.6	-46.5	174.3	-179.1	-86.8	0	0	0	111.4	L9 L12 F13 I16 L46 K47 A52 A53 A54 P64	L9-Y50 HydrophobicContact CD2-CD2 4.27Å; L9-Y50 HydrophobicContact CD2-CE2 4.13Å; L12-Y50 HydrophobicContact CB-CD2 4.16Å; F13-Y50 HydrophobicContact CB-CD2 4.48Å; F13-Y50 HydrophobicContact CB-CE2 3.99Å; F13-Y50 AromaticContact CD2-CE2 3.91Å; F13-Y50 HydrophobicContact CD2-CE2 3.91Å; F13-Y50 HydrophobicContact CG-CE2 4.48Å; I16-Y50 VanDerWaalsContact CD1-CB 3.43Å; I16-Y50 HydrophobicContact CD1-CD2 4.14Å; I16-Y50 HydrophobicContact CD1-CG 3.83Å; L46-Y50 WeakPolarHBondContact O-CB 3.37Å; L46-Y50 PolarHBondContact O-N 3.48Å; K47-Y50 PolarHBondContact O-N 2.77Å; Y50-A52 VanDerWaalsContact C-N 3.3Å; Y50-A52 PolarHBondContact O-N 2.83Å; Y50-A53 PolarHBondContact O-N 2.92Å; Y50-A53 VanDerWaalsContact O-N 3.08Å; Y50-A54 HydrophobicContact CD1-CB 4.08Å; Y50-A54 HydrophobicContact CE1-CB 3.75Å; Y50-A54 HydrophobicContact CE2-CB 4.47Å; Y50-A54 VanDerWaalsContact O-CB 3.24Å; Y50-A54 WeakPolarHBondContact O-CB 3.36Å; Y50-A54 PolarHBondContact O-N 3.26Å; Y50-P64 HydrophobicContact CE2-CG 4.05Å
51	K	84	Confident	86.1	Confident	99 Å²	99	78 Å²	78	43%	0.43	45%	0.446	S	S	.	.	H	α-helix	trans	-58.2	-42.7	175.7	-170.7	-177	-166.6	134.7	0	112.2	K47 M48 A53 G55 E56 D57	K47-K51 WeakPolarHBondContact O-CB 3.4Å; K47-K51 PolarHBondContact O-N 2.99Å; M48-K51 PolarHBondContact O-N 2.97Å; K51-A53 VanDerWaalsContact C-N 3.3Å; K51-A53 PolarHBondContact O-N 2.92Å; K51-G55 WeakPolarHBondContact O-CA 3.22Å; K51-G55 PolarHBondContact O-N 3.09Å; K51-E56 WeakPolarHBondContact CA-O 3.28Å; K51-D57 VanDerWaalsContact CD-OD1 3.25Å; K51-D57 WeakPolarHBondContact CD-OD1 3.5Å; K51-D57 WeakPolarHBondContact CE-OD1 3.09Å; K51-D57 IonicContact NZ-OD1 3.31Å; K51-D57 PolarHBondContact NZ-OD1 2.83Å; K51-D57 IonicContact NZ-OD2 2.72Å; K51-D57 PolarHBondContact NZ-OD2 3.27Å
52	A	79.9	Confident	85	Confident	90 Å²	90	73.5 Å²	73.5	74%	0.744	43%	0.434	S	S	*	.	H	α-helix	trans	-65.3	-32.4	177.1	0	0	0	0	0	112.9	M48 S49 Y50	M48-A52 WeakPolarHBondContact O-CB 3.36Å; M48-A52 PolarHBondContact O-N 2.96Å; S49-A52 PolarHBondContact O-N 2.77Å; Y50-A52 VanDerWaalsContact C-N 3.3Å; Y50-A52 PolarHBondContact O-N 2.83Å
53	A	80.2	Confident	84	Confident	55 Å²	55	72.1 Å²	72.1	46%	0.455	43%	0.432	S	S	.	.	H	α-helix	trans	-87	-36.7	-179.6	0	0	0	0	0	113.8	L9 L12 S49 Y50 K51	L9-A53 HydrophobicContact CD2-CB 3.83Å; L9-A53 HydrophobicContact CG-CB 4.38Å; L12-A53 HydrophobicContact CD1-CB 4.25Å; S49-A53 WeakPolarHBondContact O-CB 3.34Å; S49-A53 PolarHBondContact O-N 2.67Å; Y50-A53 PolarHBondContact O-N 2.92Å; Y50-A53 VanDerWaalsContact O-N 3.08Å; K51-A53 VanDerWaalsContact C-N 3.3Å; K51-A53 PolarHBondContact O-N 2.92Å
54	A	81.7	Confident	82.8	Confident	36 Å²	36	72.2 Å²	72.2	30%	0.298	44%	0.435	S	S	.	.	H	α-helix	trans	-92.3	-23.7	-174.7	0	0	0	0	0	112.8	L9 Y50 E56	L9-A54 HydrophobicContact CD2-CB 3.61Å; Y50-A54 HydrophobicContact CD1-CB 4.08Å; Y50-A54 HydrophobicContact CE1-CB 3.75Å; Y50-A54 HydrophobicContact CE2-CB 4.47Å; Y50-A54 VanDerWaalsContact O-CB 3.24Å; Y50-A54 WeakPolarHBondContact O-CB 3.36Å; Y50-A54 PolarHBondContact O-N 3.26Å; A54-E56 HydrophobicContact CB-CG 4.06Å; A54-E56 PolarHBondContact O-N 3.49Å
55	G	81.6	Confident	81.2	Confident	69 Å²	69	72 Å²	72	71%	0.711	45%	0.449	S	S	*	.	S	Bend	trans	79.2	-4.5	-169	0	0	0	0	0	114.1	K51	K51-G55 WeakPolarHBondContact O-CA 3.22Å; K51-G55 PolarHBondContact O-N 3.09Å
56	E	80.4	Confident	78.6	Confident	90 Å²	90	75.9 Å²	75.9	42%	0.421	46%	0.464	S	S	.	.	S	Bend	trans	-134.8	159	-178.1	63.1	174.9	175.6	0	0	112.8	K51 A54	K51-E56 WeakPolarHBondContact CA-O 3.28Å; A54-E56 HydrophobicContact CB-CG 4.06Å; A54-E56 PolarHBondContact O-N 3.49Å
57	D	86	Confident	75.7	Confident	94 Å²	94	79.8 Å²	79.8	50%	0.503	49%	0.491	S	S	.	.			trans	-70.4	144.4	177	-71.3	-54.3	0	0	0	112	K51 K59	K51-D57 VanDerWaalsContact CD-OD1 3.25Å; K51-D57 WeakPolarHBondContact CD-OD1 3.5Å; K51-D57 WeakPolarHBondContact CE-OD1 3.09Å; K51-D57 IonicContact NZ-OD1 3.31Å; K51-D57 PolarHBondContact NZ-OD1 2.83Å; K51-D57 IonicContact NZ-OD2 2.72Å; K51-D57 PolarHBondContact NZ-OD2 3.27Å; D57-K59 PolarHBondContact O-N 3.44Å
58	Y	84.8	Confident	72.8	Confident	39 Å²	39	79.5 Å²	79.5	15%	0.153	51%	0.506	C	S	.	.			trans	-59.1	126.7	177	170	-91.5	0	0	0	112.4	F13 I16 A60	F13-Y58 HydrophobicContact CD1-CE2 4.46Å; F13-Y58 AromaticContact CD2-CD2 3.68Å; F13-Y58 HydrophobicContact CD2-CD2 3.68Å; F13-Y58 AromaticContact CD2-CE2 3.47Å; F13-Y58 HydrophobicContact CD2-CE2 3.47Å; F13-Y58 VanDerWaalsContact CD2-CE2 3.47Å; F13-Y58 HydrophobicContact CE1-CE2 4.44Å; F13-Y58 AromaticContact CE2-CD2 3.86Å; F13-Y58 HydrophobicContact CE2-CD2 3.86Å; F13-Y58 AromaticContact CE2-CE2 3.47Å; F13-Y58 HydrophobicContact CE2-CE2 3.47Å; F13-Y58 VanDerWaalsContact CE2-CE2 3.47Å; F13-Y58 HydrophobicContact CG-CD2 4.48Å; F13-Y58 AromaticContact CG-CE2 4Å; F13-Y58 HydrophobicContact CG-CE2 4Å; F13-Y58 AromaticContact CZ-CE2 3.98Å; F13-Y58 HydrophobicContact CZ-CE2 3.98Å; I16-Y58 HydrophobicContact CB-CD2 3.89Å; I16-Y58 HydrophobicContact CB-CE2 3.72Å; I16-Y58 HydrophobicContact CB-CG 4.35Å; I16-Y58 HydrophobicContact CD1-CD2 3.58Å; I16-Y58 HydrophobicContact CD1-CE2 4.27Å; I16-Y58 HydrophobicContact CD1-CG 3.89Å; I16-Y58 HydrophobicContact CG1-CD2 4.34Å; I16-Y58 HydrophobicContact CG2-CD1 3.61Å; I16-Y58 HydrophobicContact CG2-CD2 3.7Å; I16-Y58 HydrophobicContact CG2-CE1 3.51Å; I16-Y58 HydrophobicContact CG2-CE2 3.61Å; I16-Y58 HydrophobicContact CG2-CG 3.69Å; Y58-A60 HydrophobicContact CE1-CB 3.94Å; Y58-A60 WeakPolarHBondContact OH-CA 3.39Å
59	K	85	Confident	70	Confident	125 Å²	125	79.1 Å²	79.1	54%	0.543	51%	0.513	S	S	.	.			trans	-117.1	119.2	171.3	-63.2	175.4	-174	166.8	0	109.3	F13 D57 D61 C62	F13-K59 WeakPolarHBondContact CE2-O 3.28Å; D57-K59 PolarHBondContact O-N 3.44Å; K59-D61 PolarHBondContact O-N 2.94Å; K59-C62 HydrophobicContact CB-CB 4.1Å; K59-C62 PolarHBondContact O-N 3.42Å; K59-C62 VanDerWaalsContact O-N 3.1Å
60	A	77.6	Confident	67	Low	59 Å²	59	83.2 Å²	83.2	49%	0.488	54%	0.536	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-28.9	-170.7	0	0	0	0	0	114.5	F13 Y58	F13-A60 WeakPolarHBondContact CZ-O 3.47Å; Y58-A60 HydrophobicContact CE1-CB 3.94Å; Y58-A60 WeakPolarHBondContact OH-CA 3.39Å
61	D	74.3	Confident	64.3	Low	134 Å²	134	87.6 Å²	87.6	72%	0.717	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.7	5.9	-173.9	-50.6	-50.2	0	0	0	113.4	K59	K59-D61 PolarHBondContact O-N 2.94Å
62	C	70.5	Confident	61.6	Low	65 Å²	65	90.6 Å²	90.6	44%	0.439	59%	0.588	S	S	.	*			trans	-128.6	81.7	-174.7	-168.6	0	0	0	0	112.3	F13 K59	F13-C62 WeakPolarHBondContact CE2-O 3.46Å; K59-C62 HydrophobicContact CB-CB 4.1Å; K59-C62 PolarHBondContact O-N 3.42Å; K59-C62 VanDerWaalsContact O-N 3.1Å
63	P	73.4	Confident	59.4	Low	74 Å²	74	94.4 Å²	94.4	48%	0.481	59%	0.59	S	S	.	*			trans	-65.4	139.2	177.6	25.2	-32.1	0	0	0	111.7	L10 F13	L10-P63 HydrophobicContact CD1-CB 4.29Å; F13-P63 HydrophobicContact CD1-CB 4.06Å; F13-P63 HydrophobicContact CE1-CB 3.79Å; F13-P63 HydrophobicContact CZ-CB 4.05Å
64	P	71.8	Confident	56.9	Low	30 Å²	30	94.9 Å²	94.9	20%	0.195	60%	0.6	C	S	.	*	S	Bend	trans	-68.2	135.9	176.6	28.2	-33.9	0	0	0	110.6	L9 F13 Y50	L9-P64 HydrophobicContact CB-CB 4.02Å; L9-P64 HydrophobicContact CB-CG 3.85Å; L9-P64 WeakPolarHBondContact O-CG 3.03Å; F13-P64 HydrophobicContact CB-CG 4.04Å; F13-P64 VanDerWaalsContact CD2-CD 3.45Å; F13-P64 HydrophobicContact CG-CG 4.46Å; Y50-P64 HydrophobicContact CE2-CG 4.05Å
65	G	56.1	Low	54.3	Low	74 Å²	74	99.8 Å²	99.8	76%	0.763	63%	0.629	S	S	*	*			trans	122.6	17.5	172.1	0	0	0	0	0	117.2	P67	G65-P67 VanDerWaalsContact O-CD 3.25Å; G65-P67 WeakPolarHBondContact O-CD 3.44Å
66	N	37.5	Very low	51.9	Low	146 Å²	146	103.9 Å²	103.9	78%	0.781	63%	0.634	S	S	*	*			trans	-86.2	105.5	162.1	-154.4	10.6	0	0	0	108.2	A68	N66-A68 PolarHBondContact O-N 3.46Å
67	P	33.2	Very low	49.8	Very low	117 Å²	117	103.4 Å²	103.4	76%	0.76	65%	0.646	S	S	*	*			trans	-72	102.7	-172.5	28.5	-31.7	0	0	0	109.7	G65	G65-P67 VanDerWaalsContact O-CD 3.25Å; G65-P67 WeakPolarHBondContact O-CD 3.44Å
68	A	30.1	Very low	47.5	Very low	85 Å²	85	105.8 Å²	105.8	70%	0.702	66%	0.664	S	S	*	*			trans	-74.1	146.6	159.6	0	0	0	0	0	109.1	N66 T70	N66-A68 PolarHBondContact O-N 3.46Å; A68-T70 PolarHBondContact O-N 3.22Å
69	P	28.1	Very low	45.5	Very low	122 Å²	122	112.7 Å²	112.7	79%	0.792	70%	0.697	S	S	*	*			trans	-63.8	133.5	-172.2	-1.8	10.5	0	0	0	111.6	S71	P69-S71 PolarHBondContact O-N 3.44Å
70	T	24.1	Very low	44	Very low	143 Å²	143	110.8 Å²	110.8	88%	0.877	71%	0.705	S	S	*	*			trans	-47.9	113.4	174.3	51.5	0	0	0	0	112.4	A68	A68-T70 PolarHBondContact O-N 3.22Å
71	S	30.5	Very low	43.3	Very low	93 Å²	93	115.5 Å²	115.5	65%	0.65	72%	0.717	S	S	*	*			trans	-104.5	111.2	163.2	56.4	0	0	0	0	109.4	P69 H73	P69-S71 PolarHBondContact O-N 3.44Å; S71-H73 PolarHBondContact O-N 2.93Å; S71-H73 VanDerWaalsContact O-N 3.14Å
72	N	26.5	Very low	43.5	Very low	162 Å²	162	116.3 Å²	116.3	87%	0.866	72%	0.716	S	S	*	*			trans	-62.6	103.3	168.8	-93.4	-18.2	0	0	0	110
73	H	34.9	Very low	44.2	Very low	171 Å²	171	114.3 Å²	114.3	79%	0.792	70%	0.702	S	S	*	*			trans	-129	120.9	161.2	-73.7	-70.8	0	0	0	109.2	S71	S71-H73 PolarHBondContact O-N 2.93Å; S71-H73 VanDerWaalsContact O-N 3.14Å
74	G	26.4	Very low	44.8	Very low	65 Å²	65	115 Å²	115	67%	0.67	70%	0.697	S	S	*	*			trans	-69.2	167.1	179.9	0	0	0	0	0	112.4	D76	G74-D76 PolarHBondContact O-N 3.4Å
75	P	28.6	Very low	45.4	Very low	139 Å²	139	113.8 Å²	113.8	90%	0.903	69%	0.689	S	S	*	*	S	Bend	trans	-81.9	100.2	-172.1	32.1	-30	0	0	0	109.7
76	D	30.1	Very low	46.7	Very low	155 Å²	155	111.8 Å²	111.8	83%	0.829	66%	0.661	S	S	*	*			trans	-149.6	138.1	161.8	-150	-0.3	0	0	0	111.2	G74	G74-D76 PolarHBondContact O-N 3.4Å
77	A	35.4	Very low	48.8	Very low	79 Å²	79	105.3 Å²	105.3	65%	0.653	63%	0.627	S	S	*	*	S	Bend	trans	57.4	123	-179.2	0	0	0	0	0	116.8	E79	A77-E79 VanDerWaalsContact C-N 3.31Å; A77-E79 PolarHBondContact O-N 3.49Å
78	T	37.9	Very low	51	Low	145 Å²	145	103.7 Å²	103.7	89%	0.89	61%	0.606	S	S	*	*			trans	-50.5	92.1	161.8	45.8	0	0	0	0	109.9	A80	T78-A80 PolarHBondContact O-N 2.96Å; T78-A80 VanDerWaalsContact O-N 3.08Å
79	E	44.4	Very low	53.4	Low	183 Å²	183	102.1 Å²	102.1	86%	0.855	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-58.3	116.2	169	-75.1	-176.1	160.1	0	0	106.4	A77 E81	A77-E79 VanDerWaalsContact C-N 3.31Å; A77-E79 PolarHBondContact O-N 3.49Å; E79-E81 PolarHBondContact O-N 2.86Å; E79-E81 VanDerWaalsContact O-N 3.08Å
80	A	52.5	Low	55.9	Low	85 Å²	85	96.8 Å²	96.8	70%	0.702	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-53	121.2	166.9	0	0	0	0	0	106.6	T78 E82	T78-A80 PolarHBondContact O-N 2.96Å; T78-A80 VanDerWaalsContact O-N 3.08Å; A80-E82 PolarHBondContact O-N 3.45Å; A80-E82 VanDerWaalsContact O-N 3.11Å
81	E	63.7	Low	58.6	Low	159 Å²	159	95.4 Å²	95.4	74%	0.743	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-46.4	122.8	-178.3	-74.1	-180	172.8	0	0	109.4	E79	E79-E81 PolarHBondContact O-N 2.86Å; E79-E81 VanDerWaalsContact O-N 3.08Å
82	E	78.4	Confident	61.2	Low	150 Å²	150	91.8 Å²	91.8	70%	0.701	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-64.3	138.3	-177.5	-166.3	-173.4	165.9	0	0	109.9	A80 F84 R106	A80-E82 PolarHBondContact O-N 3.45Å; A80-E82 VanDerWaalsContact O-N 3.11Å; E82-F84 PolarHBondContact O-N 3.41Å; E82-R106 IonicContact OE1-NH1 3.79Å
83	D	85.6	Confident	63.9	Low	24 Å²	24	87.3 Å²	87.3	13%	0.128	49%	0.491	C	S	.	.	P	Polyproline II helix	trans	-55.3	132.9	175.3	-69.4	-19.9	0	0	0	110.8	T92 I98 D99 R106	D83-T92 WeakPolarHBondContact OD1-CB 3.32Å; D83-T92 PolarHBondContact OD1-OG1 3.15Å; D83-I98 HydrophobicContact CB-CD1 3.79Å; D83-I98 WeakPolarHBondContact OD2-CA 3.41Å; D83-D99 PolarHBondContact OD2-N 2.83Å; D83-R106 PolarHBondContact O-NH1 3.36Å
84	F	84.9	Confident	66.1	Low	88 Å²	88	81.4 Å²	81.4	39%	0.386	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	123.7	177.7	-173.6	-93	0	0	0	110.2	E82 D86 T89 V90 Q91	E82-F84 PolarHBondContact O-N 3.41Å; F84-D86 HydrophobicContact CE1-CB 4.09Å; F84-D86 WeakPolarHBondContact CE1-OD2 3.39Å; F84-D86 HydrophobicContact CZ-CB 4.24Å; F84-D86 WeakPolarHBondContact CZ-OD2 3.38Å; F84-T89 HydrophobicContact CD1-CG2 3.98Å; F84-T89 HydrophobicContact CE1-CG2 4.16Å; F84-V90 CarbonylContact O-C 3.59Å; F84-V90 WeakPolarHBondContact O-CA 3.38Å; F84-Q91 HydrophobicContact CB-CB 4.47Å; F84-Q91 PolarHBondContact N-O 3.46Å; F84-Q91 PolarHBondContact O-N 3.27Å
85	V	83.5	Confident	68.5	Low	5 Å²	5	80.9 Å²	80.9	3%	0.03	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	115.5	-178.7	179.4	0	0	0	0	109.4	V90 I98 L103 F107 D312 F339	V85-V90 HydrophobicContact CG1-CG2 4.48Å; V85-V90 HydrophobicContact CG2-CG1 4.44Å; V85-I98 HydrophobicContact CG2-CD1 3.87Å; V85-L103 HydrophobicContact CB-CD1 4.12Å; V85-L103 HydrophobicContact CG1-CD2 4.46Å; V85-L103 HydrophobicContact CG2-CD1 4.05Å; V85-L103 HydrophobicContact CG2-CD2 4.13Å; V85-F107 HydrophobicContact CB-CZ 4.19Å; V85-F107 HydrophobicContact CG1-CE2 4.46Å; V85-F107 HydrophobicContact CG1-CZ 4.06Å; V85-D312 HydrophobicContact CG1-CB 4.08Å; V85-F339 HydrophobicContact CG1-CE2 4.17Å; V85-F339 HydrophobicContact CG1-CZ 3.71Å; V85-F339 HydrophobicContact CG2-CE2 4.17Å
86	D	84.8	Confident	71	Confident	31 Å²	31	80.2 Å²	80.2	17%	0.166	44%	0.442	C	S	.	.			trans	-137	175	167.1	80.1	25.2	0	0	0	109.8	F84 W88 T89 D312	F84-D86 HydrophobicContact CE1-CB 4.09Å; F84-D86 WeakPolarHBondContact CE1-OD2 3.39Å; F84-D86 HydrophobicContact CZ-CB 4.24Å; F84-D86 WeakPolarHBondContact CZ-OD2 3.38Å; D86-W88 PolarHBondContact O-N 2.97Å; D86-W88 VanDerWaalsContact O-N 3.09Å; D86-W88 WeakPolarHBondContact OD1-CA 3.19Å; D86-W88 PolarHBondContact OD1-N 3.22Å; D86-T89 PolarHBondContact N-O 2.96Å; D86-T89 PolarHBondContact O-N 2.84Å; D86-T89 PolarHBondContact OD1-N 3.34Å; D86-D312 WeakPolarHBondContact O-CB 3.45Å
87	P	81.1	Confident	73.6	Confident	10 Å²	10	73.2 Å²	73.2	7%	0.065	41%	0.406	C	S	.	.	S	Bend	trans	-59	-22.2	-177.3	-25.8	34.9	0	0	0	115.9	F267 D312 Y316	P87-F267 HydrophobicContact CG-CD1 4.23Å; P87-F267 HydrophobicContact CG-CE1 4.25Å; P87-D312 WeakPolarHBondContact CA-O 3.4Å; P87-D312 WeakPolarHBondContact CG-O 3.34Å; P87-Y316 HydrophobicContact CB-CD2 4.4Å; P87-Y316 HydrophobicContact CB-CE2 3.69Å; P87-Y316 HydrophobicContact CG-CD2 3.98Å; P87-Y316 HydrophobicContact CG-CE2 3.56Å
88	W	79.8	Confident	76	Confident	84 Å²	84	70 Å²	70	32%	0.318	38%	0.378	S	S	.	.	S	Bend	trans	-106	-32.4	-176.1	-58.1	-75.9	0	0	0	113.1	D86 W203 F267 F269	D86-W88 PolarHBondContact O-N 2.97Å; D86-W88 VanDerWaalsContact O-N 3.09Å; D86-W88 WeakPolarHBondContact OD1-CA 3.19Å; D86-W88 PolarHBondContact OD1-N 3.22Å; W88-W203 AromaticContact CE2-NE1 3.67Å; W88-W203 AromaticContact CZ2-CE2 3.98Å; W88-W203 AromaticContact CZ2-CZ2 3.73Å; W88-W203 HydrophobicContact CZ2-CZ2 3.73Å; W88-W203 AromaticContact CZ2-NE1 3.78Å; W88-W203 AromaticContact NE1-CD1 3.8Å; W88-W203 AromaticContact NE1-CE2 3.99Å; W88-W203 AromaticContact NE1-NE1 3.37Å; W88-F267 HydrophobicContact CH2-CB 3.65Å; W88-F267 AromaticContact CH2-CD1 3.63Å; W88-F267 HydrophobicContact CH2-CD1 3.63Å; W88-F267 AromaticContact CH2-CG 3.97Å; W88-F267 HydrophobicContact CH2-CG 3.97Å; W88-F267 HydrophobicContact CZ3-CB 3.83Å; W88-F267 AromaticContact CZ3-CD1 3.96Å; W88-F267 HydrophobicContact CZ3-CD1 3.96Å; W88-F267 HydrophobicContact CZ3-CG 4.37Å; W88-F267 WeakPolarHBondContact CZ3-O 3.13Å; W88-F269 AromaticContact CH2-CE1 3.95Å; W88-F269 HydrophobicContact CH2-CE1 3.95Å; W88-F269 HydrophobicContact CH2-CZ 4.05Å; W88-F269 HydrophobicContact CZ2-CE1 4.24Å; W88-F269 HydrophobicContact CZ2-CZ 4.39Å
89	T	79.3	Confident	78.5	Confident	51 Å²	51	66.1 Å²	66.1	31%	0.313	35%	0.352	S	S	.	.			trans	-130.7	126.2	-167.1	-52	0	0	0	0	110.8	F84 D86 Q91	F84-T89 HydrophobicContact CD1-CG2 3.98Å; F84-T89 HydrophobicContact CE1-CG2 4.16Å; D86-T89 PolarHBondContact N-O 2.96Å; D86-T89 PolarHBondContact O-N 2.84Å; D86-T89 PolarHBondContact OD1-N 3.34Å; T89-Q91 HydrophobicContact CG2-CG 3.87Å
90	V	80.6	Confident	80.8	Confident	10 Å²	10	59.8 Å²	59.8	6%	0.061	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	118.8	171.2	178.3	0	0	0	0	107.4	F84 V85 I98 F339 K349	F84-V90 CarbonylContact O-C 3.59Å; F84-V90 WeakPolarHBondContact O-CA 3.38Å; V85-V90 HydrophobicContact CG1-CG2 4.48Å; V85-V90 HydrophobicContact CG2-CG1 4.44Å; V90-I98 HydrophobicContact CG1-CD1 3.88Å; V90-I98 HydrophobicContact CG1-CG1 4Å; V90-F339 HydrophobicContact CB-CE2 4.36Å; V90-F339 HydrophobicContact CB-CZ 4.47Å; V90-F339 HydrophobicContact CG1-CD2 3.65Å; V90-F339 HydrophobicContact CG1-CE2 3.53Å; V90-F339 HydrophobicContact CG1-CG 4.3Å; V90-F339 HydrophobicContact CG1-CZ 4.12Å; V90-F339 HydrophobicContact CG2-CD1 4.26Å; V90-F339 HydrophobicContact CG2-CD2 4.37Å; V90-F339 HydrophobicContact CG2-CE1 3.73Å; V90-F339 HydrophobicContact CG2-CE2 3.84Å; V90-F339 HydrophobicContact CG2-CZ 3.49Å; V90-F339 VanDerWaalsContact CG2-CZ 3.49Å; V90-K349 HydrophobicContact CB-CB 4.08Å; V90-K349 HydrophobicContact CG2-CB 4.27Å; V90-K349 HydrophobicContact CG2-CD 4.15Å
91	Q	82.4	Confident	82.7	Confident	114 Å²	114	60 Å²	60	53%	0.533	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	137.4	-178.5	-70.7	179	-24.1	0	0	110.2	F84 T89	F84-Q91 HydrophobicContact CB-CB 4.47Å; F84-Q91 PolarHBondContact N-O 3.46Å; F84-Q91 PolarHBondContact O-N 3.27Å; T89-Q91 HydrophobicContact CG2-CG 3.87Å
92	T	83.7	Confident	83.9	Confident	18 Å²	18	59.3 Å²	59.3	11%	0.11	30%	0.304	C	S	.	.			trans	-144.7	144.4	172.4	178	0	0	0	0	109.9	D83 S94 I98 Q347	D83-T92 WeakPolarHBondContact OD1-CB 3.32Å; D83-T92 PolarHBondContact OD1-OG1 3.15Å; T92-S94 VanDerWaalsContact C-N 3.25Å; T92-S94 WeakPolarHBondContact OG1-CB 3.46Å; T92-S94 PolarHBondContact OG1-N 2.81Å; T92-S94 VanDerWaalsContact OG1-N 3.08Å; T92-I98 HydrophobicContact CG2-CD1 4.14Å; T92-I98 HydrophobicContact CG2-CG1 4.46Å; T92-Q347 HydrophobicContact CG2-CB 4.33Å; T92-Q347 HydrophobicContact CG2-CG 4.36Å; T92-Q347 PolarHBondContact N-O 3.24Å
93	S	83	Confident	84.5	Confident	67 Å²	67	52.4 Å²	52.4	47%	0.469	27%	0.272	S	S	.	.	S	Bend	trans	-75	-18.1	171.5	57	0	0	0	0	112	Q347	S93-Q347 PolarHBondContact O-NE2 3.28Å
94	S	82.8	Confident	84.8	Confident	47 Å²	47	52.1 Å²	52.1	33%	0.329	27%	0.27	S	S	.	.			trans	-82.9	126.1	-175.7	173.9	0	0	0	0	112.9	T92 K96 G97 Q347	T92-S94 VanDerWaalsContact C-N 3.25Å; T92-S94 WeakPolarHBondContact OG1-CB 3.46Å; T92-S94 PolarHBondContact OG1-N 2.81Å; T92-S94 VanDerWaalsContact OG1-N 3.08Å; S94-K96 PolarHBondContact O-N 2.64Å; S94-K96 PolarHBondContact OG-N 2.94Å; S94-G97 WeakPolarHBondContact CB-O 3.34Å; S94-G97 PolarHBondContact O-N 3.02Å; S94-G97 PolarHBondContact OG-O 3.43Å; S94-Q347 VanDerWaalsContact O-CG 3.26Å; S94-Q347 WeakPolarHBondContact O-CG 3.42Å
95	A	76.8	Confident	85.1	Confident	55 Å²	55	53.7 Å²	53.7	46%	0.455	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-22.6	172.3	0	0	0	0	0	113.4	G97 V396	A95-G97 PolarHBondContact O-N 3.37Å; A95-V396 HydrophobicContact CB-CG1 4.24Å
96	K	79.5	Confident	85.3	Confident	124 Å²	124	58.5 Å²	58.5	54%	0.539	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-8	175.4	-60.7	-167.2	178.7	-155.5	0	113	S94 D395 V396	S94-K96 PolarHBondContact O-N 2.64Å; S94-K96 PolarHBondContact OG-N 2.94Å; K96-D395 HydrophobicContact CD-CB 4.26Å; K96-D395 HydrophobicContact CG-CB 4.41Å; K96-D395 IonicContact NZ-OD2 3.24Å; K96-D395 PolarHBondContact NZ-OD2 3.27Å; K96-V396 HydrophobicContact CG-CG1 4.18Å
97	G	84.7	Confident	85.6	Confident	8 Å²	8	57.8 Å²	57.8	8%	0.082	30%	0.3	C	S	.	.			trans	88.8	-167.9	-171.8	0	0	0	0	0	112.6	S94 A95	S94-G97 WeakPolarHBondContact CB-O 3.34Å; S94-G97 PolarHBondContact O-N 3.02Å; S94-G97 PolarHBondContact OG-O 3.43Å; A95-G97 PolarHBondContact O-N 3.37Å
98	I	87.2	Confident	86.1	Confident	12 Å²	12	59.7 Å²	59.7	6%	0.062	32%	0.321	C	S	.	.			trans	-63.3	138.9	-173.9	-60.6	-73.1	0	0	0	112	D83 V85 V90 T92 Y100 L103 F339	D83-I98 HydrophobicContact CB-CD1 3.79Å; D83-I98 WeakPolarHBondContact OD2-CA 3.41Å; V85-I98 HydrophobicContact CG2-CD1 3.87Å; V90-I98 HydrophobicContact CG1-CD1 3.88Å; V90-I98 HydrophobicContact CG1-CG1 4Å; T92-I98 HydrophobicContact CG2-CD1 4.14Å; T92-I98 HydrophobicContact CG2-CG1 4.46Å; I98-Y100 HydrophobicContact CB-CE1 4.13Å; I98-Y100 HydrophobicContact CB-CE2 4.25Å; I98-Y100 HydrophobicContact CG2-CD1 4.08Å; I98-Y100 HydrophobicContact CG2-CE1 4.05Å; I98-Y100 HydrophobicContact CG2-CG 4.47Å; I98-Y100 VanDerWaalsContact O-CD2 3.28Å; I98-Y100 WeakPolarHBondContact O-CD2 3.45Å; I98-Y100 PolarHBondContact O-N 3.47Å; I98-Y100 VanDerWaalsContact O-N 3.12Å; I98-L103 HydrophobicContact CG2-CB 4.5Å; I98-L103 HydrophobicContact CG2-CD2 4.04Å; I98-F339 HydrophobicContact CG1-CD2 3.99Å; I98-F339 HydrophobicContact CG1-CE2 4.1Å
99	D	90	Very high	86.9	Confident	63 Å²	63	56.3 Å²	56.3	34%	0.337	31%	0.311	S	S	.	.			trans	-77.4	90.4	167	-173	-22.9	0	0	0	110.1	D83 D101 K102 L103	D83-D99 PolarHBondContact OD2-N 2.83Å; D99-D101 VanDerWaalsContact C-N 3.26Å; D99-D101 PolarHBondContact O-N 2.91Å; D99-D101 PolarHBondContact OD1-N 3.41Å; D99-K102 HydrophobicContact CB-CB 4.22Å; D99-K102 HydrophobicContact CB-CD 4.17Å; D99-K102 HydrophobicContact CB-CG 4.34Å; D99-K102 PolarHBondContact O-N 3Å; D99-K102 PolarHBondContact OD1-N 3.1Å; D99-K102 VanDerWaalsContact OD1-N 3.08Å; D99-K102 VanDerWaalsContact OD2-CD 3.25Å; D99-K102 WeakPolarHBondContact OD2-CD 3.3Å; D99-K102 VanDerWaalsContact OD2-CE 3.23Å; D99-K102 WeakPolarHBondContact OD2-CE 3.26Å; D99-K102 WeakPolarHBondContact OD2-CG 3.49Å; D99-K102 IonicContact OD2-NZ 3.69Å; D99-L103 PolarHBondContact O-N 3.24Å
100	Y	92	Very high	87.7	Confident	51 Å²	51	56.9 Å²	56.9	20%	0.2	32%	0.316	C	S	.	.	H	α-helix	trans	-65.9	-25	-177.5	-68.4	-70.3	0	0	0	114	I98 L103 I104 F138 I311 T338 F339	I98-Y100 HydrophobicContact CB-CE1 4.13Å; I98-Y100 HydrophobicContact CB-CE2 4.25Å; I98-Y100 HydrophobicContact CG2-CD1 4.08Å; I98-Y100 HydrophobicContact CG2-CE1 4.05Å; I98-Y100 HydrophobicContact CG2-CG 4.47Å; I98-Y100 VanDerWaalsContact O-CD2 3.28Å; I98-Y100 WeakPolarHBondContact O-CD2 3.45Å; I98-Y100 PolarHBondContact O-N 3.47Å; I98-Y100 VanDerWaalsContact O-N 3.12Å; Y100-L103 HydrophobicContact CD1-CD2 4.21Å; Y100-L103 PolarHBondContact O-N 3.09Å; Y100-I104 VanDerWaalsContact O-CG1 3.28Å; Y100-I104 WeakPolarHBondContact O-CG1 3.34Å; Y100-I104 PolarHBondContact O-N 2.8Å; Y100-F138 HydrophobicContact CD1-CD1 4.3Å; Y100-F138 HydrophobicContact CD1-CD2 4.39Å; Y100-F138 AromaticContact CD1-CE1 3.64Å; Y100-F138 HydrophobicContact CD1-CE1 3.64Å; Y100-F138 AromaticContact CD1-CE2 3.75Å; Y100-F138 HydrophobicContact CD1-CE2 3.75Å; Y100-F138 AromaticContact CD1-CZ 3.33Å; Y100-F138 HydrophobicContact CD1-CZ 3.33Å; Y100-F138 HydrophobicContact CE1-CE1 4.03Å; Y100-F138 HydrophobicContact CE1-CZ 4.09Å; Y100-F138 HydrophobicContact CG-CD2 4.33Å; Y100-F138 HydrophobicContact CG-CE1 4.36Å; Y100-F138 HydrophobicContact CG-CE2 4.04Å; Y100-F138 HydrophobicContact CG-CZ 4.07Å; Y100-I311 HydrophobicContact CE1-CG2 4.31Å; Y100-T338 HydrophobicContact CD1-CG2 4.18Å; Y100-T338 HydrophobicContact CD2-CG2 3.81Å; Y100-T338 HydrophobicContact CE1-CG2 3.9Å; Y100-T338 HydrophobicContact CE2-CG2 3.52Å; Y100-T338 HydrophobicContact CG-CG2 4.13Å; Y100-T338 VanDerWaalsContact CZ-CB 3.46Å; Y100-T338 WeakPolarHBondContact OH-CB 3.37Å; Y100-F339 HydrophobicContact CE1-CD2 4.23Å; Y100-F339 HydrophobicContact CE1-CE2 4.42Å; Y100-F339 WeakPolarHBondContact OH-CD2 3.41Å; Y100-F339 PolarHBondContact OH-N 3.27Å
101	D	91.9	Very high	88.6	Confident	89 Å²	89	61.8 Å²	61.8	48%	0.476	34%	0.337	S	S	.	.	H	α-helix	trans	-71.3	-41.8	176.2	-77.7	-36.5	0	0	0	110.3	D99 L103 I104 V105 K111	D99-D101 VanDerWaalsContact C-N 3.26Å; D99-D101 PolarHBondContact O-N 2.91Å; D99-D101 PolarHBondContact OD1-N 3.41Å; D101-L103 VanDerWaalsContact C-N 3.35Å; D101-I104 PolarHBondContact O-N 3.39Å; D101-V105 PolarHBondContact O-N 3.34Å; D101-K111 IonicContact OD1-NZ 2.97Å; D101-K111 PolarHBondContact OD1-NZ 3.27Å; D101-K111 IonicContact OD2-NZ 2.8Å
102	K	90.7	Very high	89.3	Confident	144 Å²	144	57 Å²	57	63%	0.626	32%	0.315	S	S	*	.	H	α-helix	trans	-63.2	-41	169.7	-73.4	-178.3	-173	176	0	112.1	D99 I104 V105 R106	D99-K102 HydrophobicContact CB-CB 4.22Å; D99-K102 HydrophobicContact CB-CD 4.17Å; D99-K102 HydrophobicContact CB-CG 4.34Å; D99-K102 PolarHBondContact O-N 3Å; D99-K102 PolarHBondContact OD1-N 3.1Å; D99-K102 VanDerWaalsContact OD1-N 3.08Å; D99-K102 VanDerWaalsContact OD2-CD 3.25Å; D99-K102 WeakPolarHBondContact OD2-CD 3.3Å; D99-K102 VanDerWaalsContact OD2-CE 3.23Å; D99-K102 WeakPolarHBondContact OD2-CE 3.26Å; D99-K102 WeakPolarHBondContact OD2-CG 3.49Å; D99-K102 IonicContact OD2-NZ 3.69Å; K102-I104 VanDerWaalsContact C-N 3.33Å; K102-I104 PolarHBondContact O-N 3.47Å; K102-V105 PolarHBondContact O-N 3.16Å; K102-V105 VanDerWaalsContact O-N 3.14Å; K102-R106 PolarHBondContact O-N 3.06Å
103	L	90.4	Very high	90	Very high	6 Å²	6	60.3 Å²	60.3	3%	0.031	33%	0.332	C	S	.	.	H	α-helix	trans	-63.3	-38.3	179.7	-168.3	63.5	0	0	0	112.2	V85 I98 D99 Y100 D101 V105 R106 F107 I311	V85-L103 HydrophobicContact CB-CD1 4.12Å; V85-L103 HydrophobicContact CG1-CD2 4.46Å; V85-L103 HydrophobicContact CG2-CD1 4.05Å; V85-L103 HydrophobicContact CG2-CD2 4.13Å; I98-L103 HydrophobicContact CG2-CB 4.5Å; I98-L103 HydrophobicContact CG2-CD2 4.04Å; D99-L103 PolarHBondContact O-N 3.24Å; Y100-L103 HydrophobicContact CD1-CD2 4.21Å; Y100-L103 PolarHBondContact O-N 3.09Å; D101-L103 VanDerWaalsContact C-N 3.35Å; L103-V105 VanDerWaalsContact C-N 3.31Å; L103-V105 PolarHBondContact O-N 3.33Å; L103-R106 PolarHBondContact O-N 3.15Å; L103-F107 HydrophobicContact CD1-CD1 3.75Å; L103-F107 HydrophobicContact CD1-CD2 4.47Å; L103-F107 HydrophobicContact CD1-CE1 3.47Å; L103-F107 VanDerWaalsContact CD1-CE1 3.47Å; L103-F107 HydrophobicContact CD1-CE2 4.24Å; L103-F107 HydrophobicContact CD1-CG 4.27Å; L103-F107 HydrophobicContact CD1-CZ 3.75Å; L103-F107 HydrophobicContact CG-CD1 4.44Å; L103-F107 HydrophobicContact CG-CE1 4.48Å; L103-F107 HydrophobicContact CG-CG 4.5Å; L103-F107 WeakPolarHBondContact O-CB 3.48Å; L103-F107 PolarHBondContact O-N 3.42Å; L103-I311 HydrophobicContact CD2-CB 4.28Å; L103-I311 HydrophobicContact CD2-CG1 3.63Å; L103-I311 HydrophobicContact CD2-CG2 3.64Å; L103-I311 HydrophobicContact CG-CG1 4.19Å
104	I	92	Very high	90.7	Very high	18 Å²	18	64.8 Å²	64.8	9%	0.092	34%	0.343	C	S	.	.	H	α-helix	trans	-54.9	-48.3	172.2	-76.2	163.3	0	0	0	110.7	Y100 D101 K102 G108 S109 K111 F138	Y100-I104 VanDerWaalsContact O-CG1 3.28Å; Y100-I104 WeakPolarHBondContact O-CG1 3.34Å; Y100-I104 PolarHBondContact O-N 2.8Å; D101-I104 PolarHBondContact O-N 3.39Å; K102-I104 VanDerWaalsContact C-N 3.33Å; K102-I104 PolarHBondContact O-N 3.47Å; I104-G108 WeakPolarHBondContact O-CA 3.42Å; I104-G108 PolarHBondContact O-N 2.9Å; I104-S109 VanDerWaalsContact CG2-O 3.32Å; I104-S109 WeakPolarHBondContact CG2-O 3.41Å; I104-S109 PolarHBondContact O-N 3.2Å; I104-S109 VanDerWaalsContact O-N 3.14Å; I104-K111 HydrophobicContact CD1-CB 4.03Å; I104-K111 HydrophobicContact CD1-CD 4.49Å; I104-K111 HydrophobicContact CD1-CG 4.15Å; I104-F138 HydrophobicContact CD1-CD2 3.78Å; I104-F138 HydrophobicContact CD1-CE2 3.96Å; I104-F138 HydrophobicContact CG1-CD2 4.12Å; I104-F138 HydrophobicContact CG1-CE2 3.77Å
105	V	91	Very high	91.4	Very high	120 Å²	120	67.3 Å²	67.3	73%	0.727	35%	0.35	S	S	*	.	H	α-helix	trans	-64.2	-49.4	-179.5	177.5	0	0	0	0	110.7	D101 K102 L103 F107 G108	D101-V105 PolarHBondContact O-N 3.34Å; K102-V105 PolarHBondContact O-N 3.16Å; K102-V105 VanDerWaalsContact O-N 3.14Å; L103-V105 VanDerWaalsContact C-N 3.31Å; L103-V105 PolarHBondContact O-N 3.33Å; V105-F107 VanDerWaalsContact C-N 3.33Å; V105-F107 PolarHBondContact O-N 2.91Å; V105-G108 PolarHBondContact O-N 3.15Å; V105-G108 VanDerWaalsContact O-N 3.17Å
106	R	88.1	Confident	92.5	Very high	106 Å²	106	65 Å²	65	40%	0.4	33%	0.329	S	S	.	.	H	α-helix	trans	-60.2	-42.4	-179.8	-177.8	178.7	161.5	-176.1	-6.5	112.1	E82 D83 K102 L103 G108	E82-R106 IonicContact OE1-NH1 3.79Å; D83-R106 PolarHBondContact O-NH1 3.36Å; K102-R106 PolarHBondContact O-N 3.06Å; L103-R106 PolarHBondContact O-N 3.15Å; R106-G108 VanDerWaalsContact C-N 3.34Å
107	F	90.7	Very high	93.4	Very high	17 Å²	17	60.3 Å²	60.3	8%	0.075	31%	0.31	C	S	.	.	H	α-helix	trans	-82.8	-17.3	-178.7	-76.5	23.6	0	0	0	111.4	V85 L103 V105 S109 R141 I311 D314	V85-F107 HydrophobicContact CB-CZ 4.19Å; V85-F107 HydrophobicContact CG1-CE2 4.46Å; V85-F107 HydrophobicContact CG1-CZ 4.06Å; L103-F107 HydrophobicContact CD1-CD1 3.75Å; L103-F107 HydrophobicContact CD1-CD2 4.47Å; L103-F107 HydrophobicContact CD1-CE1 3.47Å; L103-F107 VanDerWaalsContact CD1-CE1 3.47Å; L103-F107 HydrophobicContact CD1-CE2 4.24Å; L103-F107 HydrophobicContact CD1-CG 4.27Å; L103-F107 HydrophobicContact CD1-CZ 3.75Å; L103-F107 HydrophobicContact CG-CD1 4.44Å; L103-F107 HydrophobicContact CG-CE1 4.48Å; L103-F107 HydrophobicContact CG-CG 4.5Å; L103-F107 WeakPolarHBondContact O-CB 3.48Å; L103-F107 PolarHBondContact O-N 3.42Å; V105-F107 VanDerWaalsContact C-N 3.33Å; V105-F107 PolarHBondContact O-N 2.91Å; F107-S109 VanDerWaalsContact C-N 3.32Å; F107-R141 PolarHBondContact O-NH2 3.47Å; F107-I311 HydrophobicContact CD2-CD1 3.92Å; F107-I311 HydrophobicContact CD2-CG1 3.96Å; F107-I311 HydrophobicContact CE2-CD1 4.45Å; F107-I311 HydrophobicContact CE2-CG1 4.06Å; F107-I311 WeakPolarHBondContact CE2-O 3.28Å; F107-D314 HydrophobicContact CD2-CB 3.86Å; F107-D314 HydrophobicContact CE2-CB 4.16Å
108	G	92.1	Very high	94.1	Very high	50 Å²	50	62.3 Å²	62.3	52%	0.515	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.8	35.1	-176.3	0	0	0	0	0	112.3	I104 V105 R106 R141	I104-G108 WeakPolarHBondContact O-CA 3.42Å; I104-G108 PolarHBondContact O-N 2.9Å; V105-G108 PolarHBondContact O-N 3.15Å; V105-G108 VanDerWaalsContact O-N 3.17Å; R106-G108 VanDerWaalsContact C-N 3.34Å; G108-R141 PolarHBondContact O-NH1 3.08Å
109	S	95.4	Very high	94.6	Very high	13 Å²	13	63.4 Å²	63.4	9%	0.091	32%	0.322	C	S	.	.			trans	-88.7	177.4	170.3	64.1	0	0	0	0	110.2	I104 F107	I104-S109 VanDerWaalsContact CG2-O 3.32Å; I104-S109 WeakPolarHBondContact CG2-O 3.41Å; I104-S109 PolarHBondContact O-N 3.2Å; I104-S109 VanDerWaalsContact O-N 3.14Å; F107-S109 VanDerWaalsContact C-N 3.32Å
110	S	97.7	Very high	95	Very high	62 Å²	62	60.4 Å²	60.4	43%	0.434	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	140.8	178.2	-58.9	0	0	0	0	110.3	S139 H140	S110-S139 CarbonylContact O-C 3.55Å; S110-S139 WeakPolarHBondContact O-CA 3.2Å; S110-S139 VanDerWaalsContact O-CB 3.28Å; S110-S139 WeakPolarHBondContact O-CB 3.47Å; S110-H140 WeakPolarHBondContact CB-NE2 3.36Å; S110-H140 PolarHBondContact N-O 3.09Å; S110-H140 PolarHBondContact O-CD2 2.88Å; S110-H140 PolarHBondContact O-N 3.2Å
111	K	97.9	Very high	95.3	Very high	113 Å²	113	61.7 Å²	61.7	49%	0.491	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	139.9	175.4	-168.8	164.9	-172.7	155	0	110.3	D101 I104 D113	D101-K111 IonicContact OD1-NZ 2.97Å; D101-K111 PolarHBondContact OD1-NZ 3.27Å; D101-K111 IonicContact OD2-NZ 2.8Å; I104-K111 HydrophobicContact CD1-CB 4.03Å; I104-K111 HydrophobicContact CD1-CD 4.49Å; I104-K111 HydrophobicContact CD1-CG 4.15Å; K111-D113 PolarHBondContact O-N 3.16Å
112	I	98.5	Very high	95.6	Very high	14 Å²	14	64.6 Å²	64.6	7%	0.072	32%	0.318	C	S	.	.			trans	-77.5	104	166.2	-65.5	171.1	0	0	0	106.8	L116 I117 L132 F137 F138 S139 H140 L335	I112-L116 HydrophobicContact CB-CD2 4.46Å; I112-L116 HydrophobicContact CG1-CD2 4.13Å; I112-L116 HydrophobicContact CG2-CD2 4.28Å; I112-I117 HydrophobicContact CG2-CD1 4.04Å; I112-I117 HydrophobicContact CG2-CG1 3.69Å; I112-L132 HydrophobicContact CD1-CD2 4.13Å; I112-L132 HydrophobicContact CG2-CD2 4.25Å; I112-F137 HydrophobicContact CD1-CB 4.19Å; I112-F137 WeakPolarHBondContact CD1-O 3.43Å; I112-F138 PolarHBondContact N-O 2.83Å; I112-S139 WeakPolarHBondContact CD1-O 3.26Å; I112-H140 HydrophobicContact CD1-CB 4.33Å; I112-H140 HydrophobicContact CG1-CB 3.99Å; I112-L335 HydrophobicContact CD1-CD2 3.66Å; I112-L335 HydrophobicContact CG1-CD2 4.44Å
113	D	97.7	Very high	95.9	Very high	87 Å²	87	58.9 Å²	58.9	47%	0.465	30%	0.298	S	S	.	.			trans	-95.1	176.2	179	69	15.6	0	0	0	112.3	K111 E115 L116 I117	K111-D113 PolarHBondContact O-N 3.16Å; D113-E115 VanDerWaalsContact C-N 3.25Å; D113-E115 PolarHBondContact O-N 3.26Å; D113-E115 PolarHBondContact OD1-N 2.71Å; D113-E115 VanDerWaalsContact OD1-N 3.12Å; D113-L116 PolarHBondContact O-N 2.81Å; D113-L116 WeakPolarHBondContact OD1-CB 3.46Å; D113-L116 PolarHBondContact OD1-N 2.77Å; D113-I117 WeakPolarHBondContact O-CG1 3.48Å; D113-I117 PolarHBondContact O-N 3.24Å; D113-I117 VanDerWaalsContact O-N 3.1Å
114	K	97.6	Very high	96.3	Very high	162 Å²	162	59.4 Å²	59.4	70%	0.704	30%	0.301	S	S	*	.	H	α-helix	trans	-62.4	-33.3	-179.9	-170.7	176.3	-178.2	179.4	0	112.2	I117 N118	K114-I117 PolarHBondContact O-N 3.26Å; K114-N118 WeakPolarHBondContact O-CB 3.33Å; K114-N118 PolarHBondContact O-N 3.12Å; K114-N118 PolarHBondContact O-ND2 3.33Å; K114-N118 PolarHBondContact O-OD1 3.34Å
115	E	98.4	Very high	96.5	Very high	100 Å²	100	61.6 Å²	61.6	47%	0.467	33%	0.328	S	S	.	.	H	α-helix	trans	-70.2	-42.6	-179.5	-179	50.7	-146.9	0	0	111.2	D113 I117 N118 R119 R122	D113-E115 VanDerWaalsContact C-N 3.25Å; D113-E115 PolarHBondContact O-N 3.26Å; D113-E115 PolarHBondContact OD1-N 2.71Å; D113-E115 VanDerWaalsContact OD1-N 3.12Å; E115-I117 VanDerWaalsContact C-N 3.34Å; E115-I117 PolarHBondContact O-N 3.01Å; E115-N118 PolarHBondContact O-N 2.73Å; E115-R119 WeakPolarHBondContact O-CB 3.23Å; E115-R119 PolarHBondContact O-N 2.61Å; E115-R122 IonicContact OE1-CZ 2.76Å; E115-R122 IonicContact OE1-NH1 3.73Å; E115-R122 PolarHBondContact OE1-NH1 2.94Å; E115-R122 IonicContact OE1-NH2 3.1Å; E115-R122 PolarHBondContact OE1-NH2 3.06Å
116	L	98.7	Very high	96.8	Very high	5 Å²	5	61 Å²	61	3%	0.026	32%	0.317	C	S	.	.	H	α-helix	trans	-61.7	-42.9	174.1	-179.1	59.2	0	0	0	111.6	I112 D113 R119 I120 H140 M143 L147	I112-L116 HydrophobicContact CB-CD2 4.46Å; I112-L116 HydrophobicContact CG1-CD2 4.13Å; I112-L116 HydrophobicContact CG2-CD2 4.28Å; D113-L116 PolarHBondContact O-N 2.81Å; D113-L116 WeakPolarHBondContact OD1-CB 3.46Å; D113-L116 PolarHBondContact OD1-N 2.77Å; L116-R119 WeakPolarHBondContact O-CB 3.45Å; L116-R119 PolarHBondContact O-N 3.05Å; L116-I120 HydrophobicContact CG-CD1 4.34Å; L116-I120 WeakPolarHBondContact O-CG1 3.38Å; L116-I120 PolarHBondContact O-N 3.21Å; L116-H140 WeakPolarHBondContact CD2-CD2 3.46Å; L116-H140 WeakPolarHBondContact CD2-NE2 3.16Å; L116-M143 HydrophobicContact CD1-CB 4.47Å; L116-M143 HydrophobicContact CD1-CG 4.14Å; L116-M143 HydrophobicContact CD2-CB 4.26Å; L116-M143 HydrophobicContact CD2-CG 4.35Å; L116-L147 HydrophobicContact CD1-CD1 3.53Å
117	I	98.7	Very high	97.2	Very high	27 Å²	27	63.2 Å²	63.2	14%	0.138	33%	0.326	C	S	.	.	H	α-helix	trans	-60.1	-47.7	176	-68.3	171.2	0	0	0	110.8	I112 D113 K114 E115 R119 I120 E121 P128 L132	I112-I117 HydrophobicContact CG2-CD1 4.04Å; I112-I117 HydrophobicContact CG2-CG1 3.69Å; D113-I117 WeakPolarHBondContact O-CG1 3.48Å; D113-I117 PolarHBondContact O-N 3.24Å; D113-I117 VanDerWaalsContact O-N 3.1Å; K114-I117 PolarHBondContact O-N 3.26Å; E115-I117 VanDerWaalsContact C-N 3.34Å; E115-I117 PolarHBondContact O-N 3.01Å; I117-R119 PolarHBondContact O-N 2.85Å; I117-I120 PolarHBondContact O-N 2.85Å; I117-E121 PolarHBondContact O-N 2.76Å; I117-P128 HydrophobicContact CG2-CB 3.74Å; I117-P128 HydrophobicContact CG2-CG 3.55Å; I117-L132 WeakPolarHBondContact CD1-O 3.42Å; I117-L132 HydrophobicContact CG1-CB 4.41Å
118	N	98.7	Very high	97.6	Very high	50 Å²	50	62.6 Å²	62.6	27%	0.267	32%	0.324	S	S	.	.	H	α-helix	trans	-61	-36.1	176.3	-66.1	-21.1	0	0	0	111.5	K114 E115 E121 R122	K114-N118 WeakPolarHBondContact O-CB 3.33Å; K114-N118 PolarHBondContact O-N 3.12Å; K114-N118 PolarHBondContact O-ND2 3.33Å; K114-N118 PolarHBondContact O-OD1 3.34Å; E115-N118 PolarHBondContact O-N 2.73Å; N118-E121 WeakPolarHBondContact O-CB 3.21Å; N118-E121 PolarHBondContact O-N 3.1Å; N118-R122 VanDerWaalsContact O-CG 3.31Å; N118-R122 WeakPolarHBondContact O-CG 3.49Å; N118-R122 PolarHBondContact O-N 3.05Å
119	R	98.5	Very high	97.9	Very high	34 Å²	34	61.1 Å²	61.1	13%	0.128	30%	0.303	C	S	.	.	H	α-helix	trans	-67.2	-41.6	176.9	-167.4	-177.6	172.4	-171.4	3.6	111.9	E115 L116 I117 E121 R122 A123 N144 L147 D148 E151	E115-R119 WeakPolarHBondContact O-CB 3.23Å; E115-R119 PolarHBondContact O-N 2.61Å; L116-R119 WeakPolarHBondContact O-CB 3.45Å; L116-R119 PolarHBondContact O-N 3.05Å; I117-R119 PolarHBondContact O-N 2.85Å; R119-E121 VanDerWaalsContact C-N 3.31Å; R119-E121 PolarHBondContact O-N 2.74Å; R119-R122 PolarHBondContact O-N 2.98Å; R119-A123 VanDerWaalsContact O-CB 3.28Å; R119-A123 WeakPolarHBondContact O-CB 3.39Å; R119-A123 PolarHBondContact O-N 3Å; R119-N144 PolarHBondContact NH1-O 3.29Å; R119-N144 PolarHBondContact NH1-OD1 3.3Å; R119-N144 VanDerWaalsContact NH1-OD1 3.09Å; R119-L147 HydrophobicContact CB-CD1 4.18Å; R119-L147 HydrophobicContact CG-CD1 3.86Å; R119-D148 IonicContact CZ-OD1 3.62Å; R119-D148 IonicContact NH1-OD1 3.65Å; R119-D148 PolarHBondContact NH1-OD1 2.97Å; R119-D148 IonicContact NH2-OD1 2.7Å; R119-D148 PolarHBondContact NH2-OD1 2.8Å; R119-E151 IonicContact CZ-OE1 3.16Å; R119-E151 IonicContact CZ-OE2 3.44Å; R119-E151 IonicContact NE-OE1 3.84Å; R119-E151 PolarHBondContact NE-OE1 3.01Å; R119-E151 IonicContact NE-OE2 2.73Å; R119-E151 VanDerWaalsContact NH2-CD 3.31Å; R119-E151 IonicContact NH2-OE1 2.68Å; R119-E151 PolarHBondContact NH2-OE1 3.26Å; R119-E151 IonicContact NH2-OE2 3.29Å; R119-E151 PolarHBondContact NH2-OE2 3.22Å
120	I	98.6	Very high	98	Very high	1 Å²	1	61 Å²	61	1%	0.005	30%	0.301	C	S	.	.	H	α-helix	trans	-59.7	-44.2	173.2	-66.6	166.5	0	0	0	110.3	L116 I117 A123 T124 L132 M143 L147 W182 F187	L116-I120 HydrophobicContact CG-CD1 4.34Å; L116-I120 WeakPolarHBondContact O-CG1 3.38Å; L116-I120 PolarHBondContact O-N 3.21Å; I117-I120 PolarHBondContact O-N 2.85Å; I120-A123 PolarHBondContact O-N 3.47Å; I120-T124 HydrophobicContact CG2-CG2 4.37Å; I120-T124 WeakPolarHBondContact O-CB 3.4Å; I120-T124 WeakPolarHBondContact O-CG2 3.2Å; I120-T124 PolarHBondContact O-N 3.39Å; I120-T124 PolarHBondContact O-OG1 3.29Å; I120-L132 HydrophobicContact CD1-CD1 4.06Å; I120-L132 HydrophobicContact CG2-CD1 4.45Å; I120-M143 HydrophobicContact CD1-CE 4.44Å; I120-M143 HydrophobicContact CG1-CE 4.37Å; I120-L147 HydrophobicContact CG1-CD1 4Å; I120-L147 HydrophobicContact CG1-CD2 4.25Å; I120-W182 HydrophobicContact CG2-CH2 3.98Å; I120-F187 HydrophobicContact CG2-CZ 4.34Å
121	E	98.5	Very high	98	Very high	78 Å²	78	58 Å²	58	36%	0.364	28%	0.281	S	S	.	.	H	α-helix	trans	-60.1	-49.4	175.5	-176.3	161.7	-145.8	0	0	112	I117 N118 R119 A123 T124 G125 P128	I117-E121 PolarHBondContact O-N 2.76Å; N118-E121 WeakPolarHBondContact O-CB 3.21Å; N118-E121 PolarHBondContact O-N 3.1Å; R119-E121 VanDerWaalsContact C-N 3.31Å; R119-E121 PolarHBondContact O-N 2.74Å; E121-A123 VanDerWaalsContact C-N 3.34Å; E121-A123 PolarHBondContact O-N 3.05Å; E121-T124 PolarHBondContact O-N 2.94Å; E121-G125 WeakPolarHBondContact O-CA 3.35Å; E121-G125 PolarHBondContact O-N 3.18Å; E121-P128 HydrophobicContact CB-CG 3.78Å; E121-P128 HydrophobicContact CG-CG 4.39Å
122	R	98.4	Very high	98.1	Very high	150 Å²	150	52.8 Å²	52.8	57%	0.566	26%	0.258	S	S	*	.	H	α-helix	trans	-61.4	-41.1	178.1	-71.7	-173.9	-53.3	-105	6.6	112.3	E115 N118 R119	E115-R122 IonicContact OE1-CZ 2.76Å; E115-R122 IonicContact OE1-NH1 3.73Å; E115-R122 PolarHBondContact OE1-NH1 2.94Å; E115-R122 IonicContact OE1-NH2 3.1Å; E115-R122 PolarHBondContact OE1-NH2 3.06Å; N118-R122 VanDerWaalsContact O-CG 3.31Å; N118-R122 WeakPolarHBondContact O-CG 3.49Å; N118-R122 PolarHBondContact O-N 3.05Å; R119-R122 PolarHBondContact O-N 2.98Å
123	A	97.3	Very high	98	Very high	23 Å²	23	56 Å²	56	19%	0.19	27%	0.269	C	S	.	.	H	α-helix	trans	-69	-41.9	-179	0	0	0	0	0	112	R119 I120 E121 L147 Y150	R119-A123 VanDerWaalsContact O-CB 3.28Å; R119-A123 WeakPolarHBondContact O-CB 3.39Å; R119-A123 PolarHBondContact O-N 3Å; I120-A123 PolarHBondContact O-N 3.47Å; E121-A123 VanDerWaalsContact C-N 3.34Å; E121-A123 PolarHBondContact O-N 3.05Å; A123-L147 HydrophobicContact CB-CD2 4.08Å; A123-Y150 HydrophobicContact CB-CD1 4.15Å; A123-Y150 HydrophobicContact CB-CE1 4.22Å; A123-Y150 WeakPolarHBondContact O-CE1 3.4Å
124	T	96.8	Very high	97.9	Very high	18 Å²	18	54.6 Å²	54.6	11%	0.11	26%	0.257	C	S	.	.	H	α-helix	trans	-90.5	-21.2	-175.1	60.3	0	0	0	0	113.6	I120 E121 Q126 V186 F187	I120-T124 HydrophobicContact CG2-CG2 4.37Å; I120-T124 WeakPolarHBondContact O-CB 3.4Å; I120-T124 WeakPolarHBondContact O-CG2 3.2Å; I120-T124 PolarHBondContact O-N 3.39Å; I120-T124 PolarHBondContact O-OG1 3.29Å; E121-T124 PolarHBondContact O-N 2.94Å; T124-Q126 PolarHBondContact O-N 3.16Å; T124-Q126 PolarHBondContact OG1-N 3.42Å; T124-V186 HydrophobicContact CG2-CB 4.04Å; T124-V186 HydrophobicContact CG2-CG2 3.78Å; T124-F187 HydrophobicContact CG2-CD1 3.91Å; T124-F187 HydrophobicContact CG2-CD2 4.31Å; T124-F187 HydrophobicContact CG2-CE1 3.55Å; T124-F187 HydrophobicContact CG2-CE2 3.97Å; T124-F187 HydrophobicContact CG2-CG 4.27Å; T124-F187 HydrophobicContact CG2-CZ 3.58Å
125	G	97.4	Very high	97.8	Very high	64 Å²	64	48.5 Å²	48.5	66%	0.66	24%	0.241	S	C	*	.	S	Bend	trans	67.3	15.1	-170.1	0	0	0	0	0	113.5	E121	E121-G125 WeakPolarHBondContact O-CA 3.35Å; E121-G125 PolarHBondContact O-N 3.18Å
126	Q	97.8	Very high	97.7	Very high	106 Å²	106	44 Å²	44	50%	0.495	22%	0.22	S	C	.	.	S	Bend	trans	-118.9	143.2	-176	-63.3	-63.1	-26.5	0	0	110.7	T124 V186	T124-Q126 PolarHBondContact O-N 3.16Å; T124-Q126 PolarHBondContact OG1-N 3.42Å; Q126-V186 HydrophobicContact CB-CB 4.43Å; Q126-V186 HydrophobicContact CB-CG1 3.94Å; Q126-V186 HydrophobicContact CG-CB 4.19Å; Q126-V186 HydrophobicContact CG-CG1 3.84Å
127	R	96.7	Very high	97.7	Very high	154 Å²	154	43.8 Å²	43.8	58%	0.581	22%	0.219	S	C	*	.	P	Polyproline II helix	trans	-56	126.2	172.3	-176.1	178.5	176.1	177.3	-1.4	108.7	H129 D410	R127-H129 PolarHBondContact O-N 2.82Å; R127-D410 IonicContact CZ-OD2 3.31Å; R127-D410 IonicContact NH2-OD2 2.89Å; R127-D410 PolarHBondContact NH2-OD2 3.2Å
128	P	98	Very high	97.7	Very high	4 Å²	4	43.4 Å²	43.4	3%	0.026	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-54.9	139.2	-179.5	-28.1	34.6	0	0	0	111.2	I117 E121 L132 R133	I117-P128 HydrophobicContact CG2-CB 3.74Å; I117-P128 HydrophobicContact CG2-CG 3.55Å; E121-P128 HydrophobicContact CB-CG 3.78Å; E121-P128 HydrophobicContact CG-CG 4.39Å; P128-L132 HydrophobicContact CB-CB 4.35Å; P128-L132 HydrophobicContact CB-CD1 4.3Å; P128-R133 HydrophobicContact CB-CG 4.08Å; P128-R133 WeakPolarHBondContact O-CD 3.38Å; P128-R133 PolarHBondContact O-NH1 3.39Å
129	H	98.3	Very high	97.7	Very high	18 Å²	18	41 Å²	41	8%	0.083	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-50.9	148.1	178.1	-163.2	-99	0	0	0	112.4	R127 F131 L132 R133 F179 W182	R127-H129 PolarHBondContact O-N 2.82Å; H129-F131 AromaticContact CE1-CD1 3.7Å; H129-F131 AromaticContact CE1-CD2 3.5Å; H129-F131 VanDerWaalsContact CE1-CD2 3.5Å; H129-F131 WeakPolarHBondContact CE1-CD2 3.35Å; H129-F131 AromaticContact CE1-CE1 3.99Å; H129-F131 AromaticContact CE1-CE2 3.77Å; H129-F131 AromaticContact CE1-CG 3.45Å; H129-F131 VanDerWaalsContact CE1-CG 3.45Å; H129-F131 WeakPolarHBondContact CE1-CG 3.48Å; H129-F131 VanDerWaalsContact ND1-CB 3.32Å; H129-F131 WeakPolarHBondContact ND1-CB 3.13Å; H129-F131 AromaticContact ND1-CD1 3.74Å; H129-F131 AromaticContact ND1-CD2 3.54Å; H129-F131 AromaticContact ND1-CG 3.21Å; H129-F131 WeakPolarHBondContact ND1-CG 3.35Å; H129-F131 PolarHBondContact ND1-N 2.97Å; H129-F131 VanDerWaalsContact ND1-N 3.13Å; H129-F131 PolarHBondContact O-N 3.42Å; H129-F131 VanDerWaalsContact O-N 3.08Å; H129-L132 WeakPolarHBondContact O-CB 3.43Å; H129-L132 PolarHBondContact O-N 3.32Å; H129-R133 PolarHBondContact O-N 2.9Å; H129-R133 VanDerWaalsContact O-N 3.09Å; H129-F179 HydrophobicContact CB-CD2 4.12Å; H129-F179 HydrophobicContact CB-CE2 3.92Å; H129-F179 AromaticContact ND1-CD2 3.98Å; H129-W182 HydrophobicContact CB-CD2 3.67Å; H129-W182 HydrophobicContact CB-CE3 3.84Å; H129-W182 HydrophobicContact CB-CG 4.14Å; H129-W182 HydrophobicContact CB-CH2 4.31Å; H129-W182 HydrophobicContact CB-CZ2 4.15Å; H129-W182 HydrophobicContact CB-CZ3 4.15Å; H129-W182 AromaticContact CD2-CD1 3.73Å; H129-W182 AromaticContact CD2-CG 3.55Å; H129-W182 VanDerWaalsContact N-CZ2 3.27Å
130	H	97.6	Very high	97.7	Very high	10 Å²	10	39.9 Å²	39.9	5%	0.046	20%	0.2	C	C	.	.	H	α-helix	trans	-59.6	-26.1	178.3	59.1	-76.1	0	0	0	112.2	L132 R133 R134 F405	H130-L132 VanDerWaalsContact C-N 3.3Å; H130-L132 PolarHBondContact O-N 2.71Å; H130-R133 PolarHBondContact O-N 2.92Å; H130-R134 WeakPolarHBondContact O-CB 3.43Å; H130-R134 WeakPolarHBondContact O-CG 3.35Å; H130-R134 PolarHBondContact O-N 3.05Å; H130-F405 PolarHBondContact CD2-O 3.31Å; H130-F405 PolarHBondContact NE2-O 3.03Å
131	F	98.5	Very high	97.7	Very high	1 Å²	1	41 Å²	41	0%	0.004	20%	0.204	C	C	.	.	H	α-helix	trans	-64.1	-30.7	172.5	-64.4	-9.2	0	0	0	114.5	H129 I136 F137 I175 I178 F179 F405	H129-F131 AromaticContact CE1-CD1 3.7Å; H129-F131 AromaticContact CE1-CD2 3.5Å; H129-F131 VanDerWaalsContact CE1-CD2 3.5Å; H129-F131 WeakPolarHBondContact CE1-CD2 3.35Å; H129-F131 AromaticContact CE1-CE1 3.99Å; H129-F131 AromaticContact CE1-CE2 3.77Å; H129-F131 AromaticContact CE1-CG 3.45Å; H129-F131 VanDerWaalsContact CE1-CG 3.45Å; H129-F131 WeakPolarHBondContact CE1-CG 3.48Å; H129-F131 VanDerWaalsContact ND1-CB 3.32Å; H129-F131 WeakPolarHBondContact ND1-CB 3.13Å; H129-F131 AromaticContact ND1-CD1 3.74Å; H129-F131 AromaticContact ND1-CD2 3.54Å; H129-F131 AromaticContact ND1-CG 3.21Å; H129-F131 WeakPolarHBondContact ND1-CG 3.35Å; H129-F131 PolarHBondContact ND1-N 2.97Å; H129-F131 VanDerWaalsContact ND1-N 3.13Å; H129-F131 PolarHBondContact O-N 3.42Å; H129-F131 VanDerWaalsContact O-N 3.08Å; F131-I136 HydrophobicContact CB-CB 3.93Å; F131-I136 HydrophobicContact CB-CG2 4.09Å; F131-I136 HydrophobicContact CD1-CB 4.27Å; F131-I136 HydrophobicContact CD1-CD1 3.44Å; F131-I136 VanDerWaalsContact CD1-CD1 3.44Å; F131-I136 HydrophobicContact CD1-CG1 4.45Å; F131-I136 HydrophobicContact CD1-CG2 4.2Å; F131-I136 HydrophobicContact CD2-CG2 4.41Å; F131-I136 HydrophobicContact CE1-CD1 3.92Å; F131-I136 HydrophobicContact CG-CB 4.22Å; F131-I136 HydrophobicContact CG-CD1 4.24Å; F131-I136 HydrophobicContact CG-CG2 4.01Å; F131-I136 WeakPolarHBondContact O-CA 3.21Å; F131-I136 WeakPolarHBondContact O-CB 3.35Å; F131-I136 PolarHBondContact O-N 3.2Å; F131-F137 HydrophobicContact CB-CD2 3.88Å; F131-F137 HydrophobicContact CD2-CD2 4.1Å; F131-F137 AromaticContact CD2-CE2 3.94Å; F131-F137 HydrophobicContact CD2-CE2 3.94Å; F131-F137 HydrophobicContact CG-CD2 4.44Å; F131-F137 PolarHBondContact O-N 2.66Å; F131-I175 HydrophobicContact CD2-CG2 4.4Å; F131-I175 HydrophobicContact CE2-CD1 4.46Å; F131-I175 HydrophobicContact CE2-CG2 3.86Å; F131-I175 HydrophobicContact CZ-CD1 3.88Å; F131-I175 HydrophobicContact CZ-CG2 4.24Å; F131-I178 HydrophobicContact CE2-CB 4.26Å; F131-I178 HydrophobicContact CE2-CG2 3.99Å; F131-I178 HydrophobicContact CZ-CG2 4.16Å; F131-F179 HydrophobicContact CB-CD2 4.3Å; F131-F179 HydrophobicContact CD2-CB 3.89Å; F131-F179 HydrophobicContact CD2-CD2 4.16Å; F131-F179 HydrophobicContact CD2-CG 4.26Å; F131-F179 HydrophobicContact CE2-CB 4.28Å; F131-F405 HydrophobicContact CE1-CB 4.33Å; F131-F405 HydrophobicContact CE1-CD1 4.25Å; F131-F405 VanDerWaalsContact CE1-O 3.27Å; F131-F405 WeakPolarHBondContact CE1-O 3.21Å
132	L	98.4	Very high	97.6	Very high	3 Å²	3	39.1 Å²	39.1	2%	0.016	20%	0.196	C	C	.	.	H	α-helix	trans	-77.1	-48.8	171.2	-70.5	169.7	0	0	0	110.1	I112 I117 I120 P128 H129 H130 R134 G135 F137 F179 W182	I112-L132 HydrophobicContact CD1-CD2 4.13Å; I112-L132 HydrophobicContact CG2-CD2 4.25Å; I117-L132 WeakPolarHBondContact CD1-O 3.42Å; I117-L132 HydrophobicContact CG1-CB 4.41Å; I120-L132 HydrophobicContact CD1-CD1 4.06Å; I120-L132 HydrophobicContact CG2-CD1 4.45Å; P128-L132 HydrophobicContact CB-CB 4.35Å; P128-L132 HydrophobicContact CB-CD1 4.3Å; H129-L132 WeakPolarHBondContact O-CB 3.43Å; H129-L132 PolarHBondContact O-N 3.32Å; H130-L132 VanDerWaalsContact C-N 3.3Å; H130-L132 PolarHBondContact O-N 2.71Å; L132-R134 PolarHBondContact O-N 2.77Å; L132-G135 PolarHBondContact O-N 3.41Å; L132-G135 VanDerWaalsContact O-N 3.16Å; L132-F137 HydrophobicContact CD2-CB 4.03Å; L132-F179 HydrophobicContact CD1-CE2 4.03Å; L132-F179 HydrophobicContact CD1-CZ 4.01Å; L132-F179 HydrophobicContact CD2-CE2 4.37Å; L132-F179 HydrophobicContact CD2-CZ 3.85Å; L132-F179 HydrophobicContact CG-CE2 3.81Å; L132-F179 HydrophobicContact CG-CZ 3.78Å; L132-W182 HydrophobicContact CD1-CH2 3.92Å; L132-W182 HydrophobicContact CD1-CZ3 3.82Å
133	R	96.6	Very high	97.6	Very high	82 Å²	82	32 Å²	32	31%	0.309	17%	0.169	S	C	.	.	H	α-helix	trans	-60.8	-30.8	-177.2	-56.6	-168.1	-51.2	-95.6	0.4	113.2	P128 H129 H130 D410	P128-R133 HydrophobicContact CB-CG 4.08Å; P128-R133 WeakPolarHBondContact O-CD 3.38Å; P128-R133 PolarHBondContact O-NH1 3.39Å; H129-R133 PolarHBondContact O-N 2.9Å; H129-R133 VanDerWaalsContact O-N 3.09Å; H130-R133 PolarHBondContact O-N 2.92Å; R133-D410 IonicContact CZ-OD2 2.67Å; R133-D410 VanDerWaalsContact CZ-OD2 3.27Å; R133-D410 IonicContact NE-OD2 2.65Å; R133-D410 PolarHBondContact NE-OD2 3.46Å; R133-D410 IonicContact NH2-OD1 2.64Å; R133-D410 PolarHBondContact NH2-OD1 3.04Å; R133-D410 IonicContact NH2-OD2 3.48Å; R133-D410 PolarHBondContact NH2-OD2 3.38Å
134	R	95.7	Very high	97.7	Very high	56 Å²	56	34.2 Å²	34.2	21%	0.211	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	5.7	-177.6	-60	173.9	-175	176.9	-1.4	113.5	H130 L132 I136 T404 L407 E408 D410 L413	H130-R134 WeakPolarHBondContact O-CB 3.43Å; H130-R134 WeakPolarHBondContact O-CG 3.35Å; H130-R134 PolarHBondContact O-N 3.05Å; L132-R134 PolarHBondContact O-N 2.77Å; R134-I136 PolarHBondContact O-N 3.05Å; R134-T404 WeakPolarHBondContact CD-O 3.44Å; R134-T404 PolarHBondContact NH1-O 3.26Å; R134-L407 PolarHBondContact NH1-O 3.12Å; R134-L407 PolarHBondContact NH2-O 2.8Å; R134-E408 PolarHBondContact NH2-O 3.28Å; R134-E408 VanDerWaalsContact NH2-O 3.12Å; R134-D410 IonicContact CZ-OD1 2.81Å; R134-D410 VanDerWaalsContact CZ-OD1 3.27Å; R134-D410 IonicContact NE-OD1 3.63Å; R134-D410 PolarHBondContact NE-OD1 2.78Å; R134-D410 IonicContact NH2-OD1 2.66Å; R134-D410 PolarHBondContact NH2-OD1 3.36Å; R134-L413 VanDerWaalsContact CZ-CD2 3.47Å
135	G	96.1	Very high	97.7	Very high	35 Å²	35	37.7 Å²	37.7	36%	0.361	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.6	27.3	-179.9	0	0	0	0	0	113.9	L132 F138	L132-G135 PolarHBondContact O-N 3.41Å; L132-G135 VanDerWaalsContact O-N 3.16Å; G135-F138 WeakPolarHBondContact O-CB 3.32Å
136	I	97.1	Very high	97.7	Very high	5 Å²	5	34.6 Å²	34.6	3%	0.026	16%	0.161	C	C	.	.	S	Bend	trans	-71.3	-49	169	-71.9	162.5	0	0	0	108.6	F131 R134 I175 S337 T338 T404 F405	F131-I136 HydrophobicContact CB-CB 3.93Å; F131-I136 HydrophobicContact CB-CG2 4.09Å; F131-I136 HydrophobicContact CD1-CB 4.27Å; F131-I136 HydrophobicContact CD1-CD1 3.44Å; F131-I136 VanDerWaalsContact CD1-CD1 3.44Å; F131-I136 HydrophobicContact CD1-CG1 4.45Å; F131-I136 HydrophobicContact CD1-CG2 4.2Å; F131-I136 HydrophobicContact CD2-CG2 4.41Å; F131-I136 HydrophobicContact CE1-CD1 3.92Å; F131-I136 HydrophobicContact CG-CB 4.22Å; F131-I136 HydrophobicContact CG-CD1 4.24Å; F131-I136 HydrophobicContact CG-CG2 4.01Å; F131-I136 WeakPolarHBondContact O-CA 3.21Å; F131-I136 WeakPolarHBondContact O-CB 3.35Å; F131-I136 PolarHBondContact O-N 3.2Å; R134-I136 PolarHBondContact O-N 3.05Å; I136-I175 HydrophobicContact CG2-CG2 4.38Å; I136-S337 CarbonylContact O-C 3.18Å; I136-S337 WeakPolarHBondContact O-CA 3.34Å; I136-T338 PolarHBondContact O-N 2.91Å; I136-T338 PolarHBondContact O-OG1 2.94Å; I136-T404 WeakPolarHBondContact CD1-O 3.38Å; I136-F405 HydrophobicContact CB-CE1 4.3Å; I136-F405 HydrophobicContact CD1-CB 4.44Å; I136-F405 HydrophobicContact CD1-CD1 3.63Å; I136-F405 HydrophobicContact CD1-CD2 4.47Å; I136-F405 HydrophobicContact CD1-CE1 3.97Å; I136-F405 HydrophobicContact CD1-CG 3.92Å; I136-F405 HydrophobicContact CD1-CZ 4.49Å; I136-F405 HydrophobicContact CG1-CD1 4.12Å; I136-F405 HydrophobicContact CG1-CE1 3.91Å; I136-F405 HydrophobicContact CG1-CZ 4.22Å; I136-F405 HydrophobicContact CG2-CD1 3.89Å; I136-F405 HydrophobicContact CG2-CE1 3.43Å; I136-F405 VanDerWaalsContact CG2-CE1 3.43Å; I136-F405 HydrophobicContact CG2-CZ 4.3Å
137	F	98.6	Very high	97.8	Very high	1 Å²	1	29.6 Å²	29.6	0%	0.004	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	109.2	159.5	-81.7	-97.1	0	0	0	107.5	I112 F131 L132 F179 P308 L335 H336	I112-F137 HydrophobicContact CD1-CB 4.19Å; I112-F137 WeakPolarHBondContact CD1-O 3.43Å; F131-F137 HydrophobicContact CB-CD2 3.88Å; F131-F137 HydrophobicContact CD2-CD2 4.1Å; F131-F137 AromaticContact CD2-CE2 3.94Å; F131-F137 HydrophobicContact CD2-CE2 3.94Å; F131-F137 HydrophobicContact CG-CD2 4.44Å; F131-F137 PolarHBondContact O-N 2.66Å; L132-F137 HydrophobicContact CD2-CB 4.03Å; F137-F179 HydrophobicContact CB-CE1 4.29Å; F137-F179 HydrophobicContact CB-CZ 4.4Å; F137-F179 AromaticContact CD1-CD1 3.74Å; F137-F179 HydrophobicContact CD1-CD1 3.74Å; F137-F179 AromaticContact CD1-CE1 3.57Å; F137-F179 HydrophobicContact CD1-CE1 3.57Å; F137-F179 HydrophobicContact CD1-CZ 4.47Å; F137-F179 HydrophobicContact CD2-CB 4.3Å; F137-F179 AromaticContact CD2-CD1 3.56Å; F137-F179 HydrophobicContact CD2-CD1 3.56Å; F137-F179 HydrophobicContact CD2-CD2 4.19Å; F137-F179 AromaticContact CD2-CE1 3.81Å; F137-F179 HydrophobicContact CD2-CE1 3.81Å; F137-F179 HydrophobicContact CD2-CE2 4.45Å; F137-F179 AromaticContact CD2-CG 3.74Å; F137-F179 HydrophobicContact CD2-CG 3.74Å; F137-F179 HydrophobicContact CD2-CZ 4.27Å; F137-F179 AromaticContact CE1-CD1 3.44Å; F137-F179 HydrophobicContact CE1-CD1 3.44Å; F137-F179 VanDerWaalsContact CE1-CD1 3.44Å; F137-F179 AromaticContact CE1-CE1 3.73Å; F137-F179 HydrophobicContact CE1-CE1 3.73Å; F137-F179 HydrophobicContact CE1-CG 4.4Å; F137-F179 HydrophobicContact CE2-CB 3.5Å; F137-F179 AromaticContact CE2-CD1 3.26Å; F137-F179 HydrophobicContact CE2-CD1 3.26Å; F137-F179 HydrophobicContact CE2-CD2 4.23Å; F137-F179 AromaticContact CE2-CE1 3.98Å; F137-F179 HydrophobicContact CE2-CE1 3.98Å; F137-F179 AromaticContact CE2-CG 3.39Å; F137-F179 HydrophobicContact CE2-CG 3.39Å; F137-F179 AromaticContact CG-CD1 3.79Å; F137-F179 HydrophobicContact CG-CD1 3.79Å; F137-F179 AromaticContact CG-CE1 3.6Å; F137-F179 HydrophobicContact CG-CE1 3.6Å; F137-F179 HydrophobicContact CG-CG 4.39Å; F137-F179 HydrophobicContact CG-CZ 4.11Å; F137-F179 HydrophobicContact CZ-CB 3.83Å; F137-F179 AromaticContact CZ-CD1 3.18Å; F137-F179 HydrophobicContact CZ-CD1 3.18Å; F137-F179 AromaticContact CZ-CE1 3.93Å; F137-F179 HydrophobicContact CZ-CE1 3.93Å; F137-F179 AromaticContact CZ-CG 3.75Å; F137-F179 HydrophobicContact CZ-CG 3.75Å; F137-P308 HydrophobicContact CE1-CB 4.03Å; F137-P308 HydrophobicContact CZ-CB 4.29Å; F137-L335 HydrophobicContact CD1-CB 3.79Å; F137-L335 HydrophobicContact CE1-CB 4.18Å; F137-L335 WeakPolarHBondContact CE1-O 3.42Å; F137-H336 CarbonylContact C-O 3.55Å; F137-H336 VanDerWaalsContact CA-O 3.28Å; F137-H336 WeakPolarHBondContact CA-O 3.48Å; F137-H336 VanDerWaalsContact CD1-C 3.47Å
138	F	97.9	Very high	97.8	Very high	18 Å²	18	25.7 Å²	25.7	8%	0.079	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	-21	-163.9	72.7	-81.9	0	0	0	113.8	Y100 I104 I112 G135 I311 H336 T338	Y100-F138 HydrophobicContact CD1-CD1 4.3Å; Y100-F138 HydrophobicContact CD1-CD2 4.39Å; Y100-F138 AromaticContact CD1-CE1 3.64Å; Y100-F138 HydrophobicContact CD1-CE1 3.64Å; Y100-F138 AromaticContact CD1-CE2 3.75Å; Y100-F138 HydrophobicContact CD1-CE2 3.75Å; Y100-F138 AromaticContact CD1-CZ 3.33Å; Y100-F138 HydrophobicContact CD1-CZ 3.33Å; Y100-F138 HydrophobicContact CE1-CE1 4.03Å; Y100-F138 HydrophobicContact CE1-CZ 4.09Å; Y100-F138 HydrophobicContact CG-CD2 4.33Å; Y100-F138 HydrophobicContact CG-CE1 4.36Å; Y100-F138 HydrophobicContact CG-CE2 4.04Å; Y100-F138 HydrophobicContact CG-CZ 4.07Å; I104-F138 HydrophobicContact CD1-CD2 3.78Å; I104-F138 HydrophobicContact CD1-CE2 3.96Å; I104-F138 HydrophobicContact CG1-CD2 4.12Å; I104-F138 HydrophobicContact CG1-CE2 3.77Å; I112-F138 PolarHBondContact N-O 2.83Å; G135-F138 WeakPolarHBondContact O-CB 3.32Å; F138-I311 HydrophobicContact CE1-CB 4.13Å; F138-I311 HydrophobicContact CE1-CG2 4.4Å; F138-I311 HydrophobicContact CZ-CB 3.98Å; F138-I311 HydrophobicContact CZ-CD1 4.2Å; F138-I311 HydrophobicContact CZ-CG1 3.95Å; F138-I311 HydrophobicContact CZ-CG2 4.29Å; F138-H336 WeakPolarHBondContact CD1-O 3.35Å; F138-H336 HydrophobicContact CE1-CB 4.3Å; F138-H336 PolarHBondContact N-O 3.13Å; F138-T338 HydrophobicContact CD1-CG2 3.57Å; F138-T338 HydrophobicContact CE1-CG2 4.08Å; F138-T338 HydrophobicContact CG-CG2 4.21Å
139	S	98.6	Very high	97.6	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	164.4	178.2	70.5	0	0	0	0	112	S110 I112 H336	S110-S139 CarbonylContact O-C 3.55Å; S110-S139 WeakPolarHBondContact O-CA 3.2Å; S110-S139 VanDerWaalsContact O-CB 3.28Å; S110-S139 WeakPolarHBondContact O-CB 3.47Å; I112-S139 WeakPolarHBondContact CD1-O 3.26Å; S139-H336 PolarHBondContact O-N 3.42Å; S139-H336 WeakPolarHBondContact OG-CB 3.4Å; S139-H336 PolarHBondContact OG-ND1 3.48Å
140	H	98.6	Very high	97.5	Very high	11 Å²	11	28 Å²	28	5%	0.051	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	167.9	-175.6	76.7	88.3	0	0	0	111.8	S110 I112 L116 M143 L334 L335	S110-H140 WeakPolarHBondContact CB-NE2 3.36Å; S110-H140 PolarHBondContact N-O 3.09Å; S110-H140 PolarHBondContact O-CD2 2.88Å; S110-H140 PolarHBondContact O-N 3.2Å; I112-H140 HydrophobicContact CD1-CB 4.33Å; I112-H140 HydrophobicContact CG1-CB 3.99Å; L116-H140 WeakPolarHBondContact CD2-CD2 3.46Å; L116-H140 WeakPolarHBondContact CD2-NE2 3.16Å; H140-M143 HydrophobicContact CB-CB 4.09Å; H140-M143 PolarHBondContact ND1-N 3.32Å; H140-L334 CarbonylContact C-O 3.39Å; H140-L334 WeakPolarHBondContact CA-O 3.32Å; H140-L334 WeakPolarHBondContact CB-O 3.38Å; H140-L335 HydrophobicContact CB-CD2 3.83Å
141	R	98.2	Very high	97.4	Very high	25 Å²	25	31.5 Å²	31.5	9%	0.094	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	126.2	162	-60.1	-168.1	-177	-86.4	2.4	109	F107 G108 M143 D314 A333 L334	F107-R141 PolarHBondContact O-NH2 3.47Å; G108-R141 PolarHBondContact O-NH1 3.08Å; R141-M143 PolarHBondContact O-N 3.16Å; R141-D314 IonicContact CZ-OD1 3.36Å; R141-D314 IonicContact CZ-OD2 3.5Å; R141-D314 IonicContact NE-OD1 2.71Å; R141-D314 PolarHBondContact NE-OD1 2.91Å; R141-D314 IonicContact NE-OD2 2.68Å; R141-D314 IonicContact NH2-OD1 3.56Å; R141-D314 PolarHBondContact NH2-OD1 2.76Å; R141-D314 IonicContact NH2-OD2 3.46Å; R141-D314 PolarHBondContact NH2-OD2 3.07Å; R141-A333 CarbonylContact O-C 3.54Å; R141-A333 VanDerWaalsContact O-CA 3.23Å; R141-A333 WeakPolarHBondContact O-CA 3.33Å; R141-A333 WeakPolarHBondContact O-CB 3.35Å; R141-L334 HydrophobicContact CB-CB 4.23Å; R141-L334 HydrophobicContact CB-CD1 3.94Å; R141-L334 HydrophobicContact CG-CB 4.44Å; R141-L334 HydrophobicContact CG-CD1 4.12Å; R141-L334 PolarHBondContact N-O 3.4Å; R141-L334 PolarHBondContact O-N 3.24Å
142	D	97.8	Very high	97.3	Very high	38 Å²	38	36.9 Å²	36.9	20%	0.203	19%	0.185	C	C	.	.	S	Bend	trans	55	21.3	172.9	-60.2	-18.1	0	0	0	116.3	N144 Q145 V146 R321 A333	D142-N144 PolarHBondContact O-N 2.85Å; D142-Q145 HydrophobicContact CB-CB 4.28Å; D142-Q145 HydrophobicContact CB-CG 4.06Å; D142-Q145 WeakPolarHBondContact O-CA 3.46Å; D142-Q145 WeakPolarHBondContact O-CB 3.41Å; D142-Q145 PolarHBondContact O-N 3.2Å; D142-Q145 PolarHBondContact OD1-NE2 2.79Å; D142-V146 PolarHBondContact O-N 3.39Å; D142-R321 IonicContact OD1-NH2 3.54Å; D142-R321 IonicContact OD2-CZ 2.75Å; D142-R321 IonicContact OD2-NH1 2.75Å; D142-R321 PolarHBondContact OD2-NH1 3.44Å; D142-R321 IonicContact OD2-NH2 3.6Å; D142-R321 PolarHBondContact OD2-NH2 3.17Å; D142-A333 HydrophobicContact CB-CB 4.25Å
143	M	98.4	Very high	97.1	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-56.2	-34.5	172.2	-172.5	63	-161.6	0	0	112.1	L116 I120 H140 R141 Q145 V146 L147 F187 L306 L335	L116-M143 HydrophobicContact CD1-CB 4.47Å; L116-M143 HydrophobicContact CD1-CG 4.14Å; L116-M143 HydrophobicContact CD2-CB 4.26Å; L116-M143 HydrophobicContact CD2-CG 4.35Å; I120-M143 HydrophobicContact CD1-CE 4.44Å; I120-M143 HydrophobicContact CG1-CE 4.37Å; H140-M143 HydrophobicContact CB-CB 4.09Å; H140-M143 PolarHBondContact ND1-N 3.32Å; R141-M143 PolarHBondContact O-N 3.16Å; M143-Q145 VanDerWaalsContact C-N 3.25Å; M143-Q145 PolarHBondContact O-N 3.35Å; M143-V146 HydrophobicContact CE-CB 4.49Å; M143-V146 HydrophobicContact CE-CG1 4.37Å; M143-V146 WeakPolarHBondContact O-CB 3.39Å; M143-V146 PolarHBondContact O-N 3.43Å; M143-V146 VanDerWaalsContact O-N 3.14Å; M143-V146 HydrophobicContact SD-CB 4.24Å; M143-L147 HydrophobicContact CE-CD2 3.98Å; M143-L147 HydrophobicContact CE-CG 4.07Å; M143-L147 WeakPolarHBondContact O-CG 3.27Å; M143-L147 PolarHBondContact O-N 3.42Å; M143-F187 HydrophobicContact CE-CE2 4.34Å; M143-F187 HydrophobicContact CE-CZ 4.04Å; M143-L306 HydrophobicContact CE-CD2 4Å; M143-L306 HydrophobicContact SD-CD1 3.71Å; M143-L306 HydrophobicContact SD-CD2 3.81Å; M143-L306 HydrophobicContact SD-CG 4.44Å; M143-L335 HydrophobicContact CB-CD2 4.34Å; M143-L335 HydrophobicContact CG-CD2 4.08Å; M143-L335 HydrophobicContact SD-CD1 3.93Å; M143-L335 HydrophobicContact SD-CD2 4.12Å; M143-L335 HydrophobicContact SD-CG 4.12Å
144	N	98.2	Very high	97	Very high	70 Å²	70	47.5 Å²	47.5	37%	0.374	23%	0.233	S	C	.	.	H	α-helix	trans	-57.9	-37.3	172.4	-78.4	-52.4	0	0	0	112.6	R119 D142 L147 D148	R119-N144 PolarHBondContact NH1-O 3.29Å; R119-N144 PolarHBondContact NH1-OD1 3.3Å; R119-N144 VanDerWaalsContact NH1-OD1 3.09Å; D142-N144 PolarHBondContact O-N 2.85Å; N144-L147 PolarHBondContact O-N 3.38Å; N144-D148 PolarHBondContact O-N 2.7Å
145	Q	96.8	Very high	96.9	Very high	90 Å²	90	46.5 Å²	46.5	42%	0.421	23%	0.234	S	C	.	.	H	α-helix	trans	-70.6	-34	177.5	-59.5	177.8	18.7	0	0	111.7	D142 M143 D148 A149	D142-Q145 HydrophobicContact CB-CB 4.28Å; D142-Q145 HydrophobicContact CB-CG 4.06Å; D142-Q145 WeakPolarHBondContact O-CA 3.46Å; D142-Q145 WeakPolarHBondContact O-CB 3.41Å; D142-Q145 PolarHBondContact O-N 3.2Å; D142-Q145 PolarHBondContact OD1-NE2 2.79Å; M143-Q145 VanDerWaalsContact C-N 3.25Å; M143-Q145 PolarHBondContact O-N 3.35Å; Q145-D148 PolarHBondContact O-N 3.31Å; Q145-A149 WeakPolarHBondContact O-CB 3.28Å; Q145-A149 PolarHBondContact O-N 2.97Å
146	V	98.4	Very high	96.9	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-64.4	-43.5	172.5	179.3	0	0	0	0	110.4	D142 M143 A149 Y150 F156 Q304 L306 A333	D142-V146 PolarHBondContact O-N 3.39Å; M143-V146 HydrophobicContact CE-CB 4.49Å; M143-V146 HydrophobicContact CE-CG1 4.37Å; M143-V146 WeakPolarHBondContact O-CB 3.39Å; M143-V146 PolarHBondContact O-N 3.43Å; M143-V146 VanDerWaalsContact O-N 3.14Å; M143-V146 HydrophobicContact SD-CB 4.24Å; V146-A149 PolarHBondContact O-N 3.24Å; V146-Y150 WeakPolarHBondContact O-CB 3.35Å; V146-Y150 PolarHBondContact O-N 3.18Å; V146-F156 HydrophobicContact CG1-CD1 3.95Å; V146-F156 HydrophobicContact CG1-CD2 3.81Å; V146-F156 HydrophobicContact CG1-CE1 3.98Å; V146-F156 HydrophobicContact CG1-CE2 3.86Å; V146-F156 HydrophobicContact CG1-CG 3.85Å; V146-F156 HydrophobicContact CG1-CZ 3.93Å; V146-Q304 HydrophobicContact CG2-CG 3.94Å; V146-L306 HydrophobicContact CG1-CD2 4.28Å; V146-L306 HydrophobicContact CG2-CB 4.32Å; V146-L306 HydrophobicContact CG2-CD1 4.37Å; V146-A333 HydrophobicContact CG2-CB 3.38Å
147	L	98.5	Very high	97	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-66.1	-42.3	176.2	-65.4	172.9	0	0	0	111.6	L116 R119 I120 A123 M143 N144 A149 Y150 E151 F187	L116-L147 HydrophobicContact CD1-CD1 3.53Å; R119-L147 HydrophobicContact CB-CD1 4.18Å; R119-L147 HydrophobicContact CG-CD1 3.86Å; I120-L147 HydrophobicContact CG1-CD1 4Å; I120-L147 HydrophobicContact CG1-CD2 4.25Å; A123-L147 HydrophobicContact CB-CD2 4.08Å; M143-L147 HydrophobicContact CE-CD2 3.98Å; M143-L147 HydrophobicContact CE-CG 4.07Å; M143-L147 WeakPolarHBondContact O-CG 3.27Å; M143-L147 PolarHBondContact O-N 3.42Å; N144-L147 PolarHBondContact O-N 3.38Å; L147-A149 VanDerWaalsContact C-N 3.31Å; L147-A149 PolarHBondContact O-N 3.26Å; L147-Y150 PolarHBondContact O-N 2.9Å; L147-E151 VanDerWaalsContact O-CB 3.29Å; L147-E151 WeakPolarHBondContact O-CB 3.5Å; L147-E151 WeakPolarHBondContact O-CG 3.32Å; L147-E151 PolarHBondContact O-N 3.49Å; L147-F187 HydrophobicContact CD2-CE1 4.02Å; L147-F187 HydrophobicContact CD2-CZ 3.96Å
148	D	97.4	Very high	97	Very high	72 Å²	72	44.6 Å²	44.6	39%	0.385	22%	0.215	S	C	.	.	H	α-helix	trans	-56.5	-47.3	173.1	-64.3	-26.7	0	0	0	110.3	R119 N144 Q145 N152	R119-D148 IonicContact CZ-OD1 3.62Å; R119-D148 IonicContact NH1-OD1 3.65Å; R119-D148 PolarHBondContact NH1-OD1 2.97Å; R119-D148 IonicContact NH2-OD1 2.7Å; R119-D148 PolarHBondContact NH2-OD1 2.8Å; N144-D148 PolarHBondContact O-N 2.7Å; Q145-D148 PolarHBondContact O-N 3.31Å; D148-N152 VanDerWaalsContact O-CB 3.32Å; D148-N152 WeakPolarHBondContact O-CB 3.21Å; D148-N152 PolarHBondContact O-N 3.03Å; D148-N152 VanDerWaalsContact O-N 3.07Å; D148-N152 PolarHBondContact O-ND2 2.77Å
149	A	94.3	Very high	97.1	Very high	15 Å²	15	44 Å²	44	12%	0.124	21%	0.212	C	C	.	.	H	α-helix	trans	-60.6	-49.7	177.8	0	0	0	0	0	111.3	Q145 V146 L147 N152 K153 K154	Q145-A149 WeakPolarHBondContact O-CB 3.28Å; Q145-A149 PolarHBondContact O-N 2.97Å; V146-A149 PolarHBondContact O-N 3.24Å; L147-A149 VanDerWaalsContact C-N 3.31Å; L147-A149 PolarHBondContact O-N 3.26Å; A149-N152 CarbonylContact O-C 3.48Å; A149-N152 PolarHBondContact O-N 3.15Å; A149-K153 PolarHBondContact O-N 3.25Å; A149-K153 VanDerWaalsContact O-N 3.14Å; A149-K154 HydrophobicContact CB-CB 4.01Å; A149-K154 WeakPolarHBondContact O-CB 3.39Å; A149-K154 PolarHBondContact O-N 3.49Å
150	Y	96.2	Very high	97.1	Very high	55 Å²	55	44.2 Å²	44.2	22%	0.216	21%	0.214	C	C	.	.	H	α-helix	trans	-63.5	-44.7	-178.5	179.3	-102.2	0	0	0	113	A123 V146 L147 N152 K153 F156 F187	A123-Y150 HydrophobicContact CB-CD1 4.15Å; A123-Y150 HydrophobicContact CB-CE1 4.22Å; A123-Y150 WeakPolarHBondContact O-CE1 3.4Å; V146-Y150 WeakPolarHBondContact O-CB 3.35Å; V146-Y150 PolarHBondContact O-N 3.18Å; L147-Y150 PolarHBondContact O-N 2.9Å; Y150-N152 PolarHBondContact O-N 3.45Å; Y150-K153 PolarHBondContact O-N 3.18Å; Y150-F156 HydrophobicContact CD2-CD1 4.42Å; Y150-F156 AromaticContact CD2-CE1 3.78Å; Y150-F156 HydrophobicContact CD2-CE1 3.78Å; Y150-F156 HydrophobicContact CG-CE1 4.25Å; Y150-F187 HydrophobicContact CD1-CD1 4.08Å; Y150-F187 HydrophobicContact CD1-CE1 4.03Å; Y150-F187 AromaticContact CD2-CD1 3.9Å; Y150-F187 HydrophobicContact CD2-CD1 3.9Å; Y150-F187 HydrophobicContact CE1-CD1 4.02Å; Y150-F187 HydrophobicContact CE1-CE1 4.19Å; Y150-F187 AromaticContact CE2-CD1 3.83Å; Y150-F187 HydrophobicContact CE2-CD1 3.83Å; Y150-F187 HydrophobicContact CG-CD1 4.01Å; Y150-F187 HydrophobicContact CG-CE1 4.21Å; Y150-F187 AromaticContact CZ-CD1 3.89Å
151	E	96.3	Very high	97	Very high	85 Å²	85	45.3 Å²	45.3	40%	0.397	23%	0.228	S	C	.	.	H	α-helix	trans	-61.8	-35.5	176	-71.7	165.5	-175.9	0	0	111.2	R119 L147 K153	R119-E151 IonicContact CZ-OE1 3.16Å; R119-E151 IonicContact CZ-OE2 3.44Å; R119-E151 IonicContact NE-OE1 3.84Å; R119-E151 PolarHBondContact NE-OE1 3.01Å; R119-E151 IonicContact NE-OE2 2.73Å; R119-E151 VanDerWaalsContact NH2-CD 3.31Å; R119-E151 IonicContact NH2-OE1 2.68Å; R119-E151 PolarHBondContact NH2-OE1 3.26Å; R119-E151 IonicContact NH2-OE2 3.29Å; R119-E151 PolarHBondContact NH2-OE2 3.22Å; L147-E151 VanDerWaalsContact O-CB 3.29Å; L147-E151 WeakPolarHBondContact O-CB 3.5Å; L147-E151 WeakPolarHBondContact O-CG 3.32Å; L147-E151 PolarHBondContact O-N 3.49Å; E151-K153 VanDerWaalsContact C-N 3.26Å; E151-K153 PolarHBondContact O-N 3.21Å
152	N	95.4	Very high	97	Very high	113 Å²	113	45.6 Å²	45.6	60%	0.604	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.1	15	173.8	-70.6	-69.1	0	0	0	114.2	D148 A149 Y150 K154	D148-N152 VanDerWaalsContact O-CB 3.32Å; D148-N152 WeakPolarHBondContact O-CB 3.21Å; D148-N152 PolarHBondContact O-N 3.03Å; D148-N152 VanDerWaalsContact O-N 3.07Å; D148-N152 PolarHBondContact O-ND2 2.77Å; A149-N152 CarbonylContact O-C 3.48Å; A149-N152 PolarHBondContact O-N 3.15Å; Y150-N152 PolarHBondContact O-N 3.45Å; N152-K154 PolarHBondContact O-N 3.25Å; N152-K154 VanDerWaalsContact O-N 3.16Å
153	K	93.6	Very high	96.9	Very high	174 Å²	174	44.3 Å²	44.3	76%	0.757	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.4	26.4	177.2	-49.5	-56.3	179.4	-171.9	0	114.3	A149 Y150 E151	A149-K153 PolarHBondContact O-N 3.25Å; A149-K153 VanDerWaalsContact O-N 3.14Å; Y150-K153 PolarHBondContact O-N 3.18Å; E151-K153 VanDerWaalsContact C-N 3.26Å; E151-K153 PolarHBondContact O-N 3.21Å
154	K	94.4	Very high	96.7	Very high	134 Å²	134	44.3 Å²	44.3	58%	0.583	22%	0.224	S	C	*	.			trans	-86.3	140.3	171.1	-63.4	-176.5	179.2	179.6	0	109.9	A149 N152	A149-K154 HydrophobicContact CB-CB 4.01Å; A149-K154 WeakPolarHBondContact O-CB 3.39Å; A149-K154 PolarHBondContact O-N 3.49Å; N152-K154 PolarHBondContact O-N 3.25Å; N152-K154 VanDerWaalsContact O-N 3.16Å
155	P	94	Very high	96.2	Very high	35 Å²	35	41.9 Å²	41.9	23%	0.227	21%	0.213	C	C	.	.			trans	-72.5	148.1	-178.2	30.6	-35.4	0	0	0	111.5	I303 F468 F470	P155-I303 HydrophobicContact CB-CG2 4.26Å; P155-I303 HydrophobicContact CG-CG1 4.31Å; P155-I303 HydrophobicContact CG-CG2 4.39Å; P155-F468 HydrophobicContact CB-CE1 4.3Å; P155-F470 HydrophobicContact CB-CD1 3.75Å; P155-F470 HydrophobicContact CB-CE1 4.07Å; P155-F470 HydrophobicContact CG-CD1 4.23Å
156	F	97.2	Very high	95.8	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.009	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	169.5	163.7	79.4	-87.9	0	0	0	108.7	V146 Y150 L158 F187 V189 Q304 L306	V146-F156 HydrophobicContact CG1-CD1 3.95Å; V146-F156 HydrophobicContact CG1-CD2 3.81Å; V146-F156 HydrophobicContact CG1-CE1 3.98Å; V146-F156 HydrophobicContact CG1-CE2 3.86Å; V146-F156 HydrophobicContact CG1-CG 3.85Å; V146-F156 HydrophobicContact CG1-CZ 3.93Å; Y150-F156 HydrophobicContact CD2-CD1 4.42Å; Y150-F156 AromaticContact CD2-CE1 3.78Å; Y150-F156 HydrophobicContact CD2-CE1 3.78Å; Y150-F156 HydrophobicContact CG-CE1 4.25Å; F156-L158 HydrophobicContact CE2-CD2 4.33Å; F156-F187 HydrophobicContact CE1-CB 4.18Å; F156-F187 AromaticContact CE1-CD1 3.97Å; F156-F187 HydrophobicContact CE1-CD1 3.97Å; F156-F187 HydrophobicContact CE1-CG 4.18Å; F156-F187 HydrophobicContact CZ-CB 3.66Å; F156-F187 AromaticContact CZ-CD1 3.8Å; F156-F187 HydrophobicContact CZ-CD1 3.8Å; F156-F187 HydrophobicContact CZ-CD2 4.1Å; F156-F187 HydrophobicContact CZ-CE1 4.46Å; F156-F187 AromaticContact CZ-CG 3.6Å; F156-F187 HydrophobicContact CZ-CG 3.6Å; F156-V189 HydrophobicContact CD1-CG1 4.05Å; F156-V189 HydrophobicContact CD2-CG1 4.45Å; F156-V189 HydrophobicContact CE1-CG1 3.71Å; F156-V189 HydrophobicContact CE2-CB 4.47Å; F156-V189 HydrophobicContact CE2-CG1 4.14Å; F156-V189 HydrophobicContact CE2-CG2 3.93Å; F156-V189 HydrophobicContact CG-CG1 4.42Å; F156-V189 HydrophobicContact CZ-CB 4.48Å; F156-V189 HydrophobicContact CZ-CG1 3.76Å; F156-V189 HydrophobicContact CZ-CG2 4.06Å; F156-Q304 CarbonylContact C-O 3.33Å; F156-Q304 WeakPolarHBondContact CA-O 2.99Å; F156-Q304 HydrophobicContact CB-CB 3.96Å; F156-Q304 HydrophobicContact CB-CG 4.49Å; F156-Q304 VanDerWaalsContact CB-O 3.26Å; F156-Q304 WeakPolarHBondContact CB-O 3.41Å; F156-L306 HydrophobicContact CD2-CB 4.1Å; F156-L306 HydrophobicContact CE2-CB 4.19Å; F156-L306 HydrophobicContact CE2-CD2 4.05Å
157	Y	98.4	Very high	95.2	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	162.8	176	70.8	-71.5	0	0	0	111.1	P190 V192 P287 S288 F289 S290 F293 F297 I303 Q304 C305 L306	Y157-P190 WeakPolarHBondContact CA-O 3.15Å; Y157-P190 WeakPolarHBondContact CB-O 3.5Å; Y157-V192 HydrophobicContact CD2-CG2 4.17Å; Y157-V192 HydrophobicContact CE2-CG2 4Å; Y157-P287 PolarHBondContact OH-O 2.76Å; Y157-S288 PolarHBondContact OH-O 3.3Å; Y157-F289 PolarHBondContact OH-N 2.89Å; Y157-S290 PolarHBondContact OH-N 3.09Å; Y157-F293 HydrophobicContact CE2-CE2 4.46Å; Y157-F297 HydrophobicContact CD1-CE1 4.26Å; Y157-F297 HydrophobicContact CD1-CE2 4.43Å; Y157-F297 AromaticContact CD1-CZ 3.87Å; Y157-F297 HydrophobicContact CD1-CZ 3.87Å; Y157-F297 HydrophobicContact CD2-CE2 4.07Å; Y157-F297 AromaticContact CD2-CZ 3.79Å; Y157-F297 HydrophobicContact CD2-CZ 3.79Å; Y157-F297 HydrophobicContact CE2-CE2 4.32Å; Y157-F297 HydrophobicContact CE2-CZ 4.43Å; Y157-F297 HydrophobicContact CG-CE1 4.15Å; Y157-F297 HydrophobicContact CG-CE2 4.13Å; Y157-F297 AromaticContact CG-CZ 3.46Å; Y157-F297 HydrophobicContact CG-CZ 3.46Å; Y157-F297 VanDerWaalsContact CG-CZ 3.46Å; Y157-I303 HydrophobicContact CD1-CG2 3.82Å; Y157-I303 HydrophobicContact CE1-CG2 4.38Å; Y157-Q304 VanDerWaalsContact CD1-O 3.22Å; Y157-Q304 WeakPolarHBondContact CD1-O 3.35Å; Y157-Q304 PolarHBondContact N-O 3.36Å; Y157-C305 HydrophobicContact CD1-CB 4.42Å; Y157-C305 HydrophobicContact CE1-CB 3.66Å; Y157-C305 HydrophobicContact CE2-CB 4.35Å; Y157-L306 PolarHBondContact O-N 3.16Å
158	L	98.9	Very high	94.6	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	144	176.3	-63.5	168.4	0	0	0	110.4	F156 T180 L183 Q184 V189 P190 L191 V192 L306	F156-L158 HydrophobicContact CE2-CD2 4.33Å; L158-T180 HydrophobicContact CB-CG2 4.44Å; L158-T180 HydrophobicContact CD1-CG2 4.22Å; L158-L183 HydrophobicContact CD1-CB 3.84Å; L158-L183 HydrophobicContact CD2-CB 4.13Å; L158-L183 HydrophobicContact CD2-CD1 4.2Å; L158-Q184 HydrophobicContact CD1-CB 3.87Å; L158-V189 HydrophobicContact CD1-CG2 3.78Å; L158-V189 HydrophobicContact CG-CG2 3.77Å; L158-P190 PolarHBondContact N-O 3.33Å; L158-L191 HydrophobicContact CB-CB 4.24Å; L158-L191 HydrophobicContact CB-CD1 3.53Å; L158-L191 HydrophobicContact CB-CG 4.46Å; L158-L191 WeakPolarHBondContact O-CA 3.48Å; L158-V192 PolarHBondContact O-N 2.91Å; L158-L306 WeakPolarHBondContact CA-O 3.23Å; L158-L306 HydrophobicContact CD2-CB 4.04Å; L158-L306 HydrophobicContact CD2-CD2 3.85Å; L158-L306 HydrophobicContact CD2-CG 3.97Å
159	Y	98.9	Very high	94.5	Very high	4 Å²	4	42.1 Å²	42.1	2%	0.016	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	129	168.6	162.2	-141.1	0	0	0	108.8	V192 Q194 Q284 P287 C305 L306 I307 F317	Y159-V192 WeakPolarHBondContact CA-O 3.33Å; Y159-V192 HydrophobicContact CD2-CG2 4.04Å; Y159-V192 HydrophobicContact CG-CG2 4.18Å; Y159-Q194 HydrophobicContact CE2-CB 3.8Å; Y159-Q194 PolarHBondContact OH-OE1 2.86Å; Y159-Q284 PolarHBondContact OH-O 3.02Å; Y159-P287 HydrophobicContact CD1-CB 3.7Å; Y159-P287 HydrophobicContact CD2-CB 3.74Å; Y159-P287 HydrophobicContact CE1-CB 3.56Å; Y159-P287 HydrophobicContact CE1-CG 4.15Å; Y159-P287 HydrophobicContact CE2-CB 3.67Å; Y159-P287 HydrophobicContact CE2-CG 4.01Å; Y159-P287 HydrophobicContact CG-CB 3.83Å; Y159-C305 VanDerWaalsContact CB-SG 3.56Å; Y159-L306 PolarHBondContact N-O 3.16Å; Y159-I307 HydrophobicContact CD1-CD1 3.59Å; Y159-I307 HydrophobicContact CD1-CG1 3.86Å; Y159-I307 HydrophobicContact CE1-CD1 4.03Å; Y159-I307 HydrophobicContact CG-CG1 4.42Å; Y159-I307 WeakPolarHBondContact O-CA 3.23Å; Y159-I307 WeakPolarHBondContact O-CG2 3.36Å; Y159-F317 HydrophobicContact CD1-CE1 4.48Å; Y159-F317 AromaticContact CE1-CE1 3.69Å; Y159-F317 HydrophobicContact CE1-CE1 3.69Å; Y159-F317 AromaticContact CE1-CZ 3.97Å; Y159-F317 HydrophobicContact CE1-CZ 3.97Å
160	T	98.5	Very high	94.5	Very high	6 Å²	6	41.9 Å²	41.9	4%	0.037	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	179.3	164.9	-163.3	0	0	0	0	109.2	F177 T180 L191 V192 I193 Q194 P308	T160-F177 HydrophobicContact CG2-CD1 4.05Å; T160-F177 HydrophobicContact CG2-CE1 3.8Å; T160-T180 HydrophobicContact CG2-CG2 4.05Å; T160-L191 HydrophobicContact CG2-CD1 4.4Å; T160-V192 PolarHBondContact N-O 3.48Å; T160-I193 HydrophobicContact CG2-CG1 4.31Å; T160-I193 VanDerWaalsContact O-CA 3.28Å; T160-I193 WeakPolarHBondContact O-CA 3.48Å; T160-Q194 PolarHBondContact O-N 3.02Å; T160-P308 PolarHBondContact OG1-O 3.42Å
161	G	98	Very high	94.4	Very high	33 Å²	33	39.2 Å²	39.2	34%	0.34	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	172.5	-177.9	0	0	0	0	0	114.2	Q194	G161-Q194 CarbonylContact C-O 3.55Å; G161-Q194 WeakPolarHBondContact CA-O 3.47Å
162	R	96.7	Very high	94.2	Very high	32 Å²	32	35.8 Å²	35.8	12%	0.121	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	124.4	179.6	169.5	64.4	-176	140.6	5.4	110.1	P164 S165 H173 F177 Q194 M195 T196 N218 I222	R162-P164 VanDerWaalsContact O-CD 3.29Å; R162-P164 WeakPolarHBondContact O-CD 3.29Å; R162-S165 PolarHBondContact NH2-OG 3.06Å; R162-H173 PolarHBondContact NH1-NE2 3.01Å; R162-H173 PolarHBondContact NH2-CE1 3.05Å; R162-F177 HydrophobicContact CB-CE2 4.33Å; R162-F177 HydrophobicContact CB-CZ 3.84Å; R162-Q194 PolarHBondContact N-O 3.22Å; R162-M195 HydrophobicContact CB-CE 4.08Å; R162-M195 HydrophobicContact CB-SD 4.19Å; R162-M195 HydrophobicContact CG-CE 4.03Å; R162-M195 WeakPolarHBondContact O-CA 3.19Å; R162-T196 PolarHBondContact O-N 3.41Å; R162-T196 VanDerWaalsContact O-N 3.15Å; R162-N218 PolarHBondContact NE-OD1 3.43Å; R162-I222 HydrophobicContact CB-CD1 4.3Å
163	G	95.6	Very high	94.2	Very high	10 Å²	10	32 Å²	32	10%	0.103	17%	0.17	C	C	.	.			trans	-81.3	109.4	164.6	0	0	0	0	0	111.3	S165 T196 K200	G163-S165 PolarHBondContact O-N 3.23Å; G163-T196 WeakPolarHBondContact CA-OG1 3.44Å; G163-T196 PolarHBondContact N-OG1 3.31Å; G163-K200 WeakPolarHBondContact O-CE 3.31Å
164	P	94.7	Very high	94.3	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.136	C	C	.	.			trans	-77.8	90.4	-168.5	32.4	-34.5	0	0	0	111.8	R162 M195 D197 A215 N218	R162-P164 VanDerWaalsContact O-CD 3.29Å; R162-P164 WeakPolarHBondContact O-CD 3.29Å; P164-M195 HydrophobicContact CB-CE 4.17Å; P164-M195 HydrophobicContact CG-CE 4.45Å; P164-D197 HydrophobicContact CG-CB 3.95Å; P164-A215 HydrophobicContact CB-CB 4.43Å; P164-A215 HydrophobicContact CG-CB 3.87Å; P164-N218 HydrophobicContact CB-CB 4.25Å
165	S	87.5	Confident	94.3	Very high	19 Å²	19	17.8 Å²	17.8	13%	0.133	11%	0.109	C	C	.	.			trans	-85	-10.3	-170.4	62.9	0	0	0	0	115.9	R162 G163 K204	R162-S165 PolarHBondContact NH2-OG 3.06Å; G163-S165 PolarHBondContact O-N 3.23Å; S165-K204 PolarHBondContact O-NZ 2.86Å
166	S	88.4	Confident	94.5	Very high	28 Å²	28	17.3 Å²	17.3	20%	0.196	11%	0.105	C	C	.	.	S	Bend	trans	-168.3	159.7	-173.1	51.9	0	0	0	0	109.4	A168 N218	S166-A168 VanDerWaalsContact C-N 3.33Å; S166-A168 PolarHBondContact O-N 3.09Å; S166-A168 PolarHBondContact OG-O 3.32Å; S166-A168 VanDerWaalsContact OG-O 3.07Å; S166-N218 PolarHBondContact O-ND2 3.4Å
167	E	85.6	Confident	94.5	Very high	118 Å²	118	17.3 Å²	17.3	55%	0.551	11%	0.106	S	C	*	.	S	Bend	trans	-60.3	-39.7	178.4	-62.5	179.5	-177.7	0	0	113.2	Y214 N218	E167-Y214 HydrophobicContact CB-CD1 4.47Å; E167-Y214 HydrophobicContact CG-CD1 3.58Å; E167-Y214 HydrophobicContact CG-CE1 3.37Å; E167-N218 PolarHBondContact O-ND2 3.23Å
168	A	86.9	Confident	94.5	Very high	21 Å²	21	19.5 Å²	19.5	17%	0.174	12%	0.117	C	C	.	.			trans	-99.4	133.9	-177.1	0	0	0	0	0	112	S166 F360 T362	S166-A168 VanDerWaalsContact C-N 3.33Å; S166-A168 PolarHBondContact O-N 3.09Å; S166-A168 PolarHBondContact OG-O 3.32Å; S166-A168 VanDerWaalsContact OG-O 3.07Å; A168-F360 HydrophobicContact CB-CD1 3.93Å; A168-T362 HydrophobicContact CB-CG2 4.19Å
169	M	94.8	Very high	94.5	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	12%	0.117	C	C	.	.			trans	-84.4	159.8	164.6	-71.9	171.2	62.1	0	0	111.2	H173 L174 F177 N218 D221 I222 L361	M169-H173 HydrophobicContact CB-CB 4.28Å; M169-H173 HydrophobicContact CE-CB 3.58Å; M169-H173 HydrophobicContact CG-CB 4.4Å; M169-L174 HydrophobicContact CE-CD2 3.89Å; M169-F177 HydrophobicContact CE-CD2 3.9Å; M169-F177 HydrophobicContact CE-CE2 3.71Å; M169-N218 HydrophobicContact CG-CB 4.41Å; M169-N218 HydrophobicContact SD-CB 3.99Å; M169-D221 HydrophobicContact CB-CB 4.48Å; M169-D221 HydrophobicContact CE-CB 4.47Å; M169-D221 HydrophobicContact CG-CB 4.37Å; M169-D221 HydrophobicContact SD-CB 3.48Å; M169-D221 WeakPolarHBondContact SD-CB 3.47Å; M169-I222 HydrophobicContact CE-CG1 4.26Å; M169-I222 HydrophobicContact SD-CG1 4.26Å; M169-L361 HydrophobicContact CB-CD1 3.64Å; M169-L361 HydrophobicContact CB-CG 4.31Å; M169-L361 WeakPolarHBondContact O-CG 3.46Å; M169-L361 PolarHBondContact O-N 3.34Å
170	H	93.9	Very high	94.5	Very high	10 Å²	10	19.3 Å²	19.3	5%	0.046	12%	0.116	C	C	.	.	B	Isolated β-bridge	trans	-114.4	165.4	169.7	61	49.8	0	0	0	110.5	G172 H173 M350 I359 F360	H170-G172 PolarHBondContact ND1-N 3.26Å; H170-G172 PolarHBondContact O-N 2.83Å; H170-G172 VanDerWaalsContact O-N 3.09Å; H170-H173 AromaticContact CD2-CE1 3.49Å; H170-H173 PolarHBondContact CD2-CE1 3.44Å; H170-H173 VanDerWaalsContact CD2-CE1 3.49Å; H170-H173 AromaticContact CD2-ND1 3.85Å; H170-H173 AromaticContact CE1-CD2 3.32Å; H170-H173 PolarHBondContact CE1-CD2 2.84Å; H170-H173 AromaticContact CE1-CE1 3.44Å; H170-H173 PolarHBondContact CE1-CE1 3.31Å; H170-H173 VanDerWaalsContact CE1-CE1 3.44Å; H170-H173 AromaticContact CE1-CG 3.45Å; H170-H173 VanDerWaalsContact CE1-CG 3.45Å; H170-H173 AromaticContact CE1-ND1 3.55Å; H170-H173 AromaticContact CE1-NE2 3.34Å; H170-H173 PolarHBondContact CE1-NE2 3.2Å; H170-H173 VanDerWaalsContact CE1-NE2 3.34Å; H170-H173 AromaticContact CG-CE1 3.86Å; H170-H173 AromaticContact CG-ND1 3.73Å; H170-H173 PolarHBondContact N-ND1 3.23Å; H170-H173 AromaticContact ND1-CD2 3.96Å; H170-H173 AromaticContact ND1-CE1 3.85Å; H170-H173 AromaticContact ND1-CG 3.61Å; H170-H173 PolarHBondContact ND1-N 3.45Å; H170-H173 AromaticContact ND1-ND1 3.57Å; H170-H173 AromaticContact NE2-CD2 3.76Å; H170-H173 AromaticContact NE2-CE1 3.21Å; H170-H173 PolarHBondContact NE2-CE1 3.37Å; H170-H173 AromaticContact NE2-ND1 3.75Å; H170-H173 AromaticContact NE2-NE2 3.25Å; H170-H173 PolarHBondContact NE2-NE2 3.3Å; H170-H173 WeakPolarHBondContact O-CB 3.23Å; H170-H173 PolarHBondContact O-N 2.77Å; H170-M350 VanDerWaalsContact CE1-CE 3.4Å; H170-M350 WeakPolarHBondContact CE1-CE 2.92Å; H170-I359 VanDerWaalsContact CA-O 3.28Å; H170-I359 WeakPolarHBondContact CA-O 3.41Å; H170-I359 WeakPolarHBondContact CB-O 3.43Å; H170-F360 HydrophobicContact CB-CD1 4.3Å; H170-F360 HydrophobicContact CB-CG 4.5Å
171	V	95	Very high	94.5	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-56	-32.6	-175.1	-63.1	0	0	0	0	113.9	H173 L174 F340 I359 L361 Y402 F406 I442	V171-H173 VanDerWaalsContact C-N 3.26Å; V171-H173 PolarHBondContact O-N 3.29Å; V171-L174 WeakPolarHBondContact O-CB 3.23Å; V171-L174 PolarHBondContact O-N 3.08Å; V171-F340 HydrophobicContact CG2-CE1 3.84Å; V171-F340 HydrophobicContact CG2-CZ 3.84Å; V171-I359 HydrophobicContact CG1-CB 4.34Å; V171-I359 HydrophobicContact CG1-CG2 4.2Å; V171-I359 HydrophobicContact CG2-CB 4.09Å; V171-I359 PolarHBondContact N-O 3.24Å; V171-L361 HydrophobicContact CG1-CD2 3.9Å; V171-Y402 HydrophobicContact CG2-CE1 4.22Å; V171-F406 HydrophobicContact CB-CE2 4.06Å; V171-F406 HydrophobicContact CB-CZ 3.67Å; V171-F406 HydrophobicContact CG2-CE2 4Å; V171-F406 HydrophobicContact CG2-CZ 4.03Å; V171-I442 HydrophobicContact CG1-CD1 3.92Å; V171-I442 HydrophobicContact CG1-CG1 4.17Å
172	G	92.8	Very high	94.6	Very high	12 Å²	12	22.2 Å²	22.2	12%	0.124	12%	0.118	C	C	.	.	H	α-helix	trans	-62.6	-29.3	174.5	0	0	0	0	0	114.2	H170 L174 I175	H170-G172 PolarHBondContact ND1-N 3.26Å; H170-G172 PolarHBondContact O-N 2.83Å; H170-G172 VanDerWaalsContact O-N 3.09Å; G172-L174 PolarHBondContact O-N 3.45Å; G172-I175 PolarHBondContact O-N 3.39Å
173	H	93.9	Very high	94.7	Very high	35 Å²	35	20.7 Å²	20.7	16%	0.162	11%	0.112	C	C	.	.	H	α-helix	trans	-71.2	-22.6	175.9	-63.5	142.8	0	0	0	111.8	R162 M169 H170 V171 I175 F177	R162-H173 PolarHBondContact NH1-NE2 3.01Å; R162-H173 PolarHBondContact NH2-CE1 3.05Å; M169-H173 HydrophobicContact CB-CB 4.28Å; M169-H173 HydrophobicContact CE-CB 3.58Å; M169-H173 HydrophobicContact CG-CB 4.4Å; H170-H173 AromaticContact CD2-CE1 3.49Å; H170-H173 PolarHBondContact CD2-CE1 3.44Å; H170-H173 VanDerWaalsContact CD2-CE1 3.49Å; H170-H173 AromaticContact CD2-ND1 3.85Å; H170-H173 AromaticContact CE1-CD2 3.32Å; H170-H173 PolarHBondContact CE1-CD2 2.84Å; H170-H173 AromaticContact CE1-CE1 3.44Å; H170-H173 PolarHBondContact CE1-CE1 3.31Å; H170-H173 VanDerWaalsContact CE1-CE1 3.44Å; H170-H173 AromaticContact CE1-CG 3.45Å; H170-H173 VanDerWaalsContact CE1-CG 3.45Å; H170-H173 AromaticContact CE1-ND1 3.55Å; H170-H173 AromaticContact CE1-NE2 3.34Å; H170-H173 PolarHBondContact CE1-NE2 3.2Å; H170-H173 VanDerWaalsContact CE1-NE2 3.34Å; H170-H173 AromaticContact CG-CE1 3.86Å; H170-H173 AromaticContact CG-ND1 3.73Å; H170-H173 PolarHBondContact N-ND1 3.23Å; H170-H173 AromaticContact ND1-CD2 3.96Å; H170-H173 AromaticContact ND1-CE1 3.85Å; H170-H173 AromaticContact ND1-CG 3.61Å; H170-H173 PolarHBondContact ND1-N 3.45Å; H170-H173 AromaticContact ND1-ND1 3.57Å; H170-H173 AromaticContact NE2-CD2 3.76Å; H170-H173 AromaticContact NE2-CE1 3.21Å; H170-H173 PolarHBondContact NE2-CE1 3.37Å; H170-H173 AromaticContact NE2-ND1 3.75Å; H170-H173 AromaticContact NE2-NE2 3.25Å; H170-H173 PolarHBondContact NE2-NE2 3.3Å; H170-H173 WeakPolarHBondContact O-CB 3.23Å; H170-H173 PolarHBondContact O-N 2.77Å; V171-H173 VanDerWaalsContact C-N 3.26Å; V171-H173 PolarHBondContact O-N 3.29Å; H173-I175 VanDerWaalsContact C-N 3.3Å; H173-F177 WeakPolarHBondContact O-CD2 3.32Å
174	L	95.3	Very high	94.8	Very high	5 Å²	5	20.2 Å²	20.2	3%	0.026	11%	0.107	C	C	.	.	H	α-helix	trans	-75.4	-18.5	178.8	-61.3	-171.3	0	0	0	112.7	M169 V171 G172 F177 I178 L361	M169-L174 HydrophobicContact CE-CD2 3.89Å; V171-L174 WeakPolarHBondContact O-CB 3.23Å; V171-L174 PolarHBondContact O-N 3.08Å; G172-L174 PolarHBondContact O-N 3.45Å; L174-F177 CarbonylContact O-C 3.56Å; L174-F177 PolarHBondContact O-N 2.66Å; L174-I178 HydrophobicContact CB-CD1 3.76Å; L174-I178 HydrophobicContact CB-CG1 4.16Å; L174-I178 WeakPolarHBondContact O-CB 3.21Å; L174-I178 VanDerWaalsContact O-CG1 3.29Å; L174-I178 WeakPolarHBondContact O-CG1 3.27Å; L174-I178 PolarHBondContact O-N 3.44Å; L174-L361 HydrophobicContact CD1-CD1 3.95Å; L174-L361 HydrophobicContact CD1-CD2 3.52Å; L174-L361 HydrophobicContact CD1-CG 4.4Å; L174-L361 HydrophobicContact CD2-CD1 3.68Å; L174-L361 HydrophobicContact CG-CD1 3.9Å; L174-L361 HydrophobicContact CG-CD2 4.06Å
175	I	96.1	Very high	94.9	Very high	3 Å²	3	23.9 Å²	23.9	2%	0.015	13%	0.127	C	C	.	.	H	α-helix	trans	-57.4	-50.4	-173.5	-58.2	-52.8	0	0	0	112.5	F131 I136 G172 H173 F177 F179 F340 F405 F406	F131-I175 HydrophobicContact CD2-CG2 4.4Å; F131-I175 HydrophobicContact CE2-CD1 4.46Å; F131-I175 HydrophobicContact CE2-CG2 3.86Å; F131-I175 HydrophobicContact CZ-CD1 3.88Å; F131-I175 HydrophobicContact CZ-CG2 4.24Å; I136-I175 HydrophobicContact CG2-CG2 4.38Å; G172-I175 PolarHBondContact O-N 3.39Å; H173-I175 VanDerWaalsContact C-N 3.3Å; I175-F177 VanDerWaalsContact C-N 3.34Å; I175-F177 PolarHBondContact O-N 3.11Å; I175-F179 PolarHBondContact O-N 3.27Å; I175-F340 HydrophobicContact CD1-CD2 4.01Å; I175-F340 HydrophobicContact CD1-CE2 4.36Å; I175-F340 HydrophobicContact CG1-CB 4.33Å; I175-F340 HydrophobicContact CG1-CD2 3.83Å; I175-F340 HydrophobicContact CG1-CG 4.3Å; I175-F405 HydrophobicContact CD1-CB 4.16Å; I175-F405 HydrophobicContact CD1-CD1 3.65Å; I175-F405 HydrophobicContact CD1-CE1 4.45Å; I175-F405 HydrophobicContact CD1-CG 4.23Å; I175-F405 HydrophobicContact CG1-CD1 4.06Å; I175-F405 HydrophobicContact CG1-CE1 4.39Å; I175-F405 HydrophobicContact CG2-CD1 4.26Å; I175-F405 HydrophobicContact CG2-CE1 4.25Å; I175-F406 HydrophobicContact CD1-CE1 3.75Å; I175-F406 HydrophobicContact CD1-CZ 3.76Å
176	P	96.9	Very high	95.4	Very high	25 Å²	25	23.9 Å²	23.9	16%	0.162	13%	0.126	C	C	.	.	H	α-helix	trans	-62.3	-39.9	174.2	-23	35.6	0	0	0	112.3	F179 T180	P176-F179 PolarHBondContact O-N 3.44Å; P176-T180 VanDerWaalsContact O-CB 3.29Å; P176-T180 WeakPolarHBondContact O-CB 3.17Å; P176-T180 PolarHBondContact O-N 2.88Å; P176-T180 PolarHBondContact O-OG1 3.48Å
177	F	98.5	Very high	95.8	Very high	3 Å²	3	22.8 Å²	22.8	1%	0.013	12%	0.118	C	C	.	.	H	α-helix	trans	-69.1	-43.5	-177.2	-65.4	-61.3	0	0	0	113.5	T160 R162 M169 H173 L174 I175 F179 T180 K181 I193 I222 F227	T160-F177 HydrophobicContact CG2-CD1 4.05Å; T160-F177 HydrophobicContact CG2-CE1 3.8Å; R162-F177 HydrophobicContact CB-CE2 4.33Å; R162-F177 HydrophobicContact CB-CZ 3.84Å; M169-F177 HydrophobicContact CE-CD2 3.9Å; M169-F177 HydrophobicContact CE-CE2 3.71Å; H173-F177 WeakPolarHBondContact O-CD2 3.32Å; L174-F177 CarbonylContact O-C 3.56Å; L174-F177 PolarHBondContact O-N 2.66Å; I175-F177 VanDerWaalsContact C-N 3.34Å; I175-F177 PolarHBondContact O-N 3.11Å; F177-F179 VanDerWaalsContact C-N 3.28Å; F177-F179 PolarHBondContact O-N 3.24Å; F177-T180 PolarHBondContact O-N 3.45Å; F177-K181 VanDerWaalsContact O-CB 3.3Å; F177-K181 WeakPolarHBondContact O-CB 3.5Å; F177-K181 PolarHBondContact O-N 3Å; F177-I193 HydrophobicContact CD1-CD1 4.49Å; F177-I193 HydrophobicContact CE1-CD1 4.33Å; F177-I193 HydrophobicContact CE1-CG2 3.94Å; F177-I222 HydrophobicContact CD1-CG1 4.28Å; F177-I222 HydrophobicContact CD1-CG2 4.01Å; F177-I222 HydrophobicContact CD2-CG1 4.12Å; F177-I222 HydrophobicContact CE1-CD1 3.85Å; F177-I222 HydrophobicContact CE1-CG1 3.89Å; F177-I222 HydrophobicContact CE1-CG2 3.99Å; F177-I222 HydrophobicContact CE2-CD1 3.97Å; F177-I222 HydrophobicContact CE2-CG1 3.73Å; F177-I222 HydrophobicContact CG-CG1 4.4Å; F177-I222 HydrophobicContact CZ-CD1 3.43Å; F177-I222 VanDerWaalsContact CZ-CD1 3.43Å; F177-I222 HydrophobicContact CZ-CG1 3.61Å; F177-F227 HydrophobicContact CB-CE2 4.1Å; F177-F227 HydrophobicContact CB-CZ 4.08Å; F177-F227 HydrophobicContact CD1-CE2 4.07Å; F177-F227 HydrophobicContact CD1-CZ 4.07Å; F177-F227 HydrophobicContact CG-CE2 4.47Å; F177-F227 VanDerWaalsContact O-CZ 3.31Å; F177-F227 WeakPolarHBondContact O-CZ 3.45Å
178	I	98.2	Very high	96.3	Very high	46 Å²	46	21.2 Å²	21.2	24%	0.236	11%	0.113	C	C	.	.	H	α-helix	trans	-56.2	-47.7	174.8	-70.8	165.6	0	0	0	109.5	F131 L174 K181 W182 F406	F131-I178 HydrophobicContact CE2-CB 4.26Å; F131-I178 HydrophobicContact CE2-CG2 3.99Å; F131-I178 HydrophobicContact CZ-CG2 4.16Å; L174-I178 HydrophobicContact CB-CD1 3.76Å; L174-I178 HydrophobicContact CB-CG1 4.16Å; L174-I178 WeakPolarHBondContact O-CB 3.21Å; L174-I178 VanDerWaalsContact O-CG1 3.29Å; L174-I178 WeakPolarHBondContact O-CG1 3.27Å; L174-I178 PolarHBondContact O-N 3.44Å; I178-K181 PolarHBondContact O-N 2.77Å; I178-W182 PolarHBondContact O-N 3.45Å; I178-W182 VanDerWaalsContact O-N 3.11Å; I178-F406 HydrophobicContact CD1-CE1 4.33Å
179	F	98.7	Very high	96.8	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-68.7	-41	179.8	-168.3	-124.6	0	0	0	112.8	H129 F131 L132 F137 I175 P176 F177 K181 W182 L183 P308 L335	H129-F179 HydrophobicContact CB-CD2 4.12Å; H129-F179 HydrophobicContact CB-CE2 3.92Å; H129-F179 AromaticContact ND1-CD2 3.98Å; F131-F179 HydrophobicContact CB-CD2 4.3Å; F131-F179 HydrophobicContact CD2-CB 3.89Å; F131-F179 HydrophobicContact CD2-CD2 4.16Å; F131-F179 HydrophobicContact CD2-CG 4.26Å; F131-F179 HydrophobicContact CE2-CB 4.28Å; L132-F179 HydrophobicContact CD1-CE2 4.03Å; L132-F179 HydrophobicContact CD1-CZ 4.01Å; L132-F179 HydrophobicContact CD2-CE2 4.37Å; L132-F179 HydrophobicContact CD2-CZ 3.85Å; L132-F179 HydrophobicContact CG-CE2 3.81Å; L132-F179 HydrophobicContact CG-CZ 3.78Å; F137-F179 HydrophobicContact CB-CE1 4.29Å; F137-F179 HydrophobicContact CB-CZ 4.4Å; F137-F179 AromaticContact CD1-CD1 3.74Å; F137-F179 HydrophobicContact CD1-CD1 3.74Å; F137-F179 AromaticContact CD1-CE1 3.57Å; F137-F179 HydrophobicContact CD1-CE1 3.57Å; F137-F179 HydrophobicContact CD1-CZ 4.47Å; F137-F179 HydrophobicContact CD2-CB 4.3Å; F137-F179 AromaticContact CD2-CD1 3.56Å; F137-F179 HydrophobicContact CD2-CD1 3.56Å; F137-F179 HydrophobicContact CD2-CD2 4.19Å; F137-F179 AromaticContact CD2-CE1 3.81Å; F137-F179 HydrophobicContact CD2-CE1 3.81Å; F137-F179 HydrophobicContact CD2-CE2 4.45Å; F137-F179 AromaticContact CD2-CG 3.74Å; F137-F179 HydrophobicContact CD2-CG 3.74Å; F137-F179 HydrophobicContact CD2-CZ 4.27Å; F137-F179 AromaticContact CE1-CD1 3.44Å; F137-F179 HydrophobicContact CE1-CD1 3.44Å; F137-F179 VanDerWaalsContact CE1-CD1 3.44Å; F137-F179 AromaticContact CE1-CE1 3.73Å; F137-F179 HydrophobicContact CE1-CE1 3.73Å; F137-F179 HydrophobicContact CE1-CG 4.4Å; F137-F179 HydrophobicContact CE2-CB 3.5Å; F137-F179 AromaticContact CE2-CD1 3.26Å; F137-F179 HydrophobicContact CE2-CD1 3.26Å; F137-F179 HydrophobicContact CE2-CD2 4.23Å; F137-F179 AromaticContact CE2-CE1 3.98Å; F137-F179 HydrophobicContact CE2-CE1 3.98Å; F137-F179 AromaticContact CE2-CG 3.39Å; F137-F179 HydrophobicContact CE2-CG 3.39Å; F137-F179 AromaticContact CG-CD1 3.79Å; F137-F179 HydrophobicContact CG-CD1 3.79Å; F137-F179 AromaticContact CG-CE1 3.6Å; F137-F179 HydrophobicContact CG-CE1 3.6Å; F137-F179 HydrophobicContact CG-CG 4.39Å; F137-F179 HydrophobicContact CG-CZ 4.11Å; F137-F179 HydrophobicContact CZ-CB 3.83Å; F137-F179 AromaticContact CZ-CD1 3.18Å; F137-F179 HydrophobicContact CZ-CD1 3.18Å; F137-F179 AromaticContact CZ-CE1 3.93Å; F137-F179 HydrophobicContact CZ-CE1 3.93Å; F137-F179 AromaticContact CZ-CG 3.75Å; F137-F179 HydrophobicContact CZ-CG 3.75Å; I175-F179 PolarHBondContact O-N 3.27Å; P176-F179 PolarHBondContact O-N 3.44Å; F177-F179 VanDerWaalsContact C-N 3.28Å; F177-F179 PolarHBondContact O-N 3.24Å; F179-K181 VanDerWaalsContact C-N 3.3Å; F179-K181 PolarHBondContact O-N 3.12Å; F179-W182 HydrophobicContact CD2-CE3 4.17Å; F179-W182 AromaticContact CE2-CE3 3.72Å; F179-W182 HydrophobicContact CE2-CE3 3.72Å; F179-W182 AromaticContact CE2-CZ3 3.91Å; F179-W182 HydrophobicContact CE2-CZ3 3.91Å; F179-W182 HydrophobicContact CZ-CE3 4.47Å; F179-W182 HydrophobicContact CZ-CZ3 4.38Å; F179-W182 PolarHBondContact O-N 3.22Å; F179-L183 HydrophobicContact CD1-CD1 3.8Å; F179-L183 HydrophobicContact CD1-CG 4.35Å; F179-L183 HydrophobicContact CE1-CD1 3.64Å; F179-L183 HydrophobicContact CE1-CD2 4.43Å; F179-L183 HydrophobicContact CE1-CG 4.14Å; F179-L183 HydrophobicContact CZ-CD1 4.18Å; F179-L183 HydrophobicContact CZ-CD2 4.16Å; F179-L183 HydrophobicContact CZ-CG 4.2Å; F179-L183 WeakPolarHBondContact O-CG 3.46Å; F179-L183 PolarHBondContact O-N 2.84Å; F179-P308 HydrophobicContact CD1-CB 3.94Å; F179-P308 HydrophobicContact CE1-CB 4.45Å; F179-L335 HydrophobicContact CE1-CB 4.28Å; F179-L335 HydrophobicContact CE1-CD1 3.82Å; F179-L335 HydrophobicContact CZ-CD1 4.25Å
180	T	98.8	Very high	97	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-62.6	-39.6	177.4	-54.7	0	0	0	0	111.2	L158 T160 P176 F177 L183 Q184 L191 F227 P308	L158-T180 HydrophobicContact CB-CG2 4.44Å; L158-T180 HydrophobicContact CD1-CG2 4.22Å; T160-T180 HydrophobicContact CG2-CG2 4.05Å; P176-T180 VanDerWaalsContact O-CB 3.29Å; P176-T180 WeakPolarHBondContact O-CB 3.17Å; P176-T180 PolarHBondContact O-N 2.88Å; P176-T180 PolarHBondContact O-OG1 3.48Å; F177-T180 PolarHBondContact O-N 3.45Å; T180-L183 PolarHBondContact O-N 3.43Å; T180-Q184 WeakPolarHBondContact O-CB 3.49Å; T180-Q184 PolarHBondContact O-N 2.89Å; T180-L191 HydrophobicContact CG2-CD1 3.51Å; T180-L191 HydrophobicContact CG2-CD2 3.72Å; T180-L191 HydrophobicContact CG2-CG 4.27Å; T180-F227 HydrophobicContact CG2-CE1 4.13Å; T180-F227 HydrophobicContact CG2-CZ 4.48Å; T180-P308 HydrophobicContact CG2-CG 4.03Å; T180-P308 WeakPolarHBondContact OG1-CG 3.37Å
181	K	98.7	Very high	97.2	Very high	63 Å²	63	20 Å²	20	27%	0.274	10%	0.104	S	C	.	.	H	α-helix	trans	-62.5	-47	176	-170.3	-85.6	-175.5	-173.1	0	110.3	F177 I178 F179 L183 Q184 D185 G226 F227	F177-K181 VanDerWaalsContact O-CB 3.3Å; F177-K181 WeakPolarHBondContact O-CB 3.5Å; F177-K181 PolarHBondContact O-N 3Å; I178-K181 PolarHBondContact O-N 2.77Å; F179-K181 VanDerWaalsContact C-N 3.3Å; F179-K181 PolarHBondContact O-N 3.12Å; K181-L183 PolarHBondContact O-N 3.34Å; K181-Q184 PolarHBondContact O-N 3.05Å; K181-D185 WeakPolarHBondContact CD-OD2 3.48Å; K181-D185 VanDerWaalsContact CE-OD2 3.23Å; K181-D185 WeakPolarHBondContact CE-OD2 3.46Å; K181-D185 IonicContact NZ-OD2 3.27Å; K181-D185 PolarHBondContact NZ-OD2 3.44Å; K181-D185 PolarHBondContact O-N 2.96Å; K181-G226 VanDerWaalsContact CE-O 3.25Å; K181-G226 WeakPolarHBondContact CE-O 3.28Å; K181-F227 VanDerWaalsContact CA-CE1 3.43Å; K181-F227 HydrophobicContact CB-CD1 3.97Å; K181-F227 HydrophobicContact CB-CE1 3.54Å; K181-F227 HydrophobicContact CB-CZ 3.9Å; K181-F227 HydrophobicContact CG-CD1 4.06Å; K181-F227 HydrophobicContact CG-CE1 4.16Å
182	W	98.6	Very high	97.4	Very high	36 Å²	36	20 Å²	20	14%	0.136	10%	0.104	C	C	.	.	H	α-helix	trans	-58.6	-45.9	173.7	178.7	82.6	0	0	0	112	I120 H129 L132 I178 F179 Q184 D185 V186	I120-W182 HydrophobicContact CG2-CH2 3.98Å; H129-W182 HydrophobicContact CB-CD2 3.67Å; H129-W182 HydrophobicContact CB-CE3 3.84Å; H129-W182 HydrophobicContact CB-CG 4.14Å; H129-W182 HydrophobicContact CB-CH2 4.31Å; H129-W182 HydrophobicContact CB-CZ2 4.15Å; H129-W182 HydrophobicContact CB-CZ3 4.15Å; H129-W182 AromaticContact CD2-CD1 3.73Å; H129-W182 AromaticContact CD2-CG 3.55Å; H129-W182 VanDerWaalsContact N-CZ2 3.27Å; L132-W182 HydrophobicContact CD1-CH2 3.92Å; L132-W182 HydrophobicContact CD1-CZ3 3.82Å; I178-W182 PolarHBondContact O-N 3.45Å; I178-W182 VanDerWaalsContact O-N 3.11Å; F179-W182 HydrophobicContact CD2-CE3 4.17Å; F179-W182 AromaticContact CE2-CE3 3.72Å; F179-W182 HydrophobicContact CE2-CE3 3.72Å; F179-W182 AromaticContact CE2-CZ3 3.91Å; F179-W182 HydrophobicContact CE2-CZ3 3.91Å; F179-W182 HydrophobicContact CZ-CE3 4.47Å; F179-W182 HydrophobicContact CZ-CZ3 4.38Å; F179-W182 PolarHBondContact O-N 3.22Å; W182-Q184 VanDerWaalsContact C-N 3.35Å; W182-Q184 PolarHBondContact O-N 3.44Å; W182-D185 PolarHBondContact O-N 2.87Å; W182-V186 HydrophobicContact CD2-CG1 4.05Å; W182-V186 HydrophobicContact CD2-CG2 4.23Å; W182-V186 HydrophobicContact CE3-CG2 4.19Å; W182-V186 HydrophobicContact CG-CG1 4.3Å; W182-V186 HydrophobicContact CH2-CG2 4.07Å; W182-V186 HydrophobicContact CZ2-CG1 3.88Å; W182-V186 HydrophobicContact CZ2-CG2 4.11Å; W182-V186 HydrophobicContact CZ3-CG2 4.12Å; W182-V186 WeakPolarHBondContact O-CG1 3.43Å; W182-V186 WeakPolarHBondContact O-CG2 3.39Å; W182-V186 PolarHBondContact O-N 2.75Å
183	L	98.8	Very high	97.7	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.005	10%	0.098	C	C	.	.	H	α-helix	trans	-58.9	-44.1	176	-72	171.6	0	0	0	112.1	L158 F179 T180 K181 D185 F187 P308 L335	L158-L183 HydrophobicContact CD1-CB 3.84Å; L158-L183 HydrophobicContact CD2-CB 4.13Å; L158-L183 HydrophobicContact CD2-CD1 4.2Å; F179-L183 HydrophobicContact CD1-CD1 3.8Å; F179-L183 HydrophobicContact CD1-CG 4.35Å; F179-L183 HydrophobicContact CE1-CD1 3.64Å; F179-L183 HydrophobicContact CE1-CD2 4.43Å; F179-L183 HydrophobicContact CE1-CG 4.14Å; F179-L183 HydrophobicContact CZ-CD1 4.18Å; F179-L183 HydrophobicContact CZ-CD2 4.16Å; F179-L183 HydrophobicContact CZ-CG 4.2Å; F179-L183 WeakPolarHBondContact O-CG 3.46Å; F179-L183 PolarHBondContact O-N 2.84Å; T180-L183 PolarHBondContact O-N 3.43Å; K181-L183 PolarHBondContact O-N 3.34Å; L183-D185 VanDerWaalsContact C-N 3.31Å; L183-D185 PolarHBondContact O-N 3.01Å; L183-F187 HydrophobicContact CD2-CD2 4.04Å; L183-F187 HydrophobicContact CD2-CE2 3.74Å; L183-F187 WeakPolarHBondContact O-CB 3.32Å; L183-F187 WeakPolarHBondContact O-CD2 3.5Å; L183-F187 PolarHBondContact O-N 2.97Å; L183-P308 HydrophobicContact CD1-CB 4.05Å; L183-P308 HydrophobicContact CD1-CG 4.05Å; L183-L335 HydrophobicContact CD1-CD1 4Å; L183-L335 HydrophobicContact CD2-CD1 4.35Å
184	Q	98.3	Very high	97.9	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-59.2	-44.2	177.1	173.7	175.3	77.4	0	0	110.8	L158 T180 K181 W182 N188 V189 L191 K231 T232	L158-Q184 HydrophobicContact CD1-CB 3.87Å; T180-Q184 WeakPolarHBondContact O-CB 3.49Å; T180-Q184 PolarHBondContact O-N 2.89Å; K181-Q184 PolarHBondContact O-N 3.05Å; W182-Q184 VanDerWaalsContact C-N 3.35Å; W182-Q184 PolarHBondContact O-N 3.44Å; Q184-N188 WeakPolarHBondContact O-CA 3.28Å; Q184-N188 PolarHBondContact O-N 3.41Å; Q184-V189 PolarHBondContact O-N 2.87Å; Q184-L191 VanDerWaalsContact NE2-CB 3.29Å; Q184-K231 PolarHBondContact NE2-O 2.92Å; Q184-T232 PolarHBondContact NE2-OG1 2.81Å; Q184-T232 PolarHBondContact OE1-OG1 3.02Å
185	D	97.9	Very high	98.1	Very high	76 Å²	76	17.6 Å²	17.6	41%	0.406	9%	0.09	S	C	.	.	H	α-helix	trans	-66.8	-51.1	-179.2	-69.1	-17.3	0	0	0	111.8	K181 W182 L183 N188	K181-D185 WeakPolarHBondContact CD-OD2 3.48Å; K181-D185 VanDerWaalsContact CE-OD2 3.23Å; K181-D185 WeakPolarHBondContact CE-OD2 3.46Å; K181-D185 IonicContact NZ-OD2 3.27Å; K181-D185 PolarHBondContact NZ-OD2 3.44Å; K181-D185 PolarHBondContact O-N 2.96Å; W182-D185 PolarHBondContact O-N 2.87Å; L183-D185 VanDerWaalsContact C-N 3.31Å; L183-D185 PolarHBondContact O-N 3.01Å; D185-N188 PolarHBondContact O-N 2.74Å
186	V	97.8	Very high	98.2	Very high	20 Å²	20	17.9 Å²	17.9	12%	0.121	9%	0.092	C	C	.	.	H	α-helix	trans	-74.7	-29.5	-171.8	-56.7	0	0	0	0	113.4	T124 Q126 W182	T124-V186 HydrophobicContact CG2-CB 4.04Å; T124-V186 HydrophobicContact CG2-CG2 3.78Å; Q126-V186 HydrophobicContact CB-CB 4.43Å; Q126-V186 HydrophobicContact CB-CG1 3.94Å; Q126-V186 HydrophobicContact CG-CB 4.19Å; Q126-V186 HydrophobicContact CG-CG1 3.84Å; W182-V186 HydrophobicContact CD2-CG1 4.05Å; W182-V186 HydrophobicContact CD2-CG2 4.23Å; W182-V186 HydrophobicContact CE3-CG2 4.19Å; W182-V186 HydrophobicContact CG-CG1 4.3Å; W182-V186 HydrophobicContact CH2-CG2 4.07Å; W182-V186 HydrophobicContact CZ2-CG1 3.88Å; W182-V186 HydrophobicContact CZ2-CG2 4.11Å; W182-V186 HydrophobicContact CZ3-CG2 4.12Å; W182-V186 WeakPolarHBondContact O-CG1 3.43Å; W182-V186 WeakPolarHBondContact O-CG2 3.39Å; W182-V186 PolarHBondContact O-N 2.75Å
187	F	96.9	Very high	98.3	Very high	5 Å²	5	16.7 Å²	16.7	2%	0.022	8%	0.084	C	C	.	.	H	α-helix	trans	-95.1	-14.7	174.8	-72.1	-74.7	0	0	0	113.2	I120 T124 M143 L147 Y150 F156 L183 V189	I120-F187 HydrophobicContact CG2-CZ 4.34Å; T124-F187 HydrophobicContact CG2-CD1 3.91Å; T124-F187 HydrophobicContact CG2-CD2 4.31Å; T124-F187 HydrophobicContact CG2-CE1 3.55Å; T124-F187 HydrophobicContact CG2-CE2 3.97Å; T124-F187 HydrophobicContact CG2-CG 4.27Å; T124-F187 HydrophobicContact CG2-CZ 3.58Å; M143-F187 HydrophobicContact CE-CE2 4.34Å; M143-F187 HydrophobicContact CE-CZ 4.04Å; L147-F187 HydrophobicContact CD2-CE1 4.02Å; L147-F187 HydrophobicContact CD2-CZ 3.96Å; Y150-F187 HydrophobicContact CD1-CD1 4.08Å; Y150-F187 HydrophobicContact CD1-CE1 4.03Å; Y150-F187 AromaticContact CD2-CD1 3.9Å; Y150-F187 HydrophobicContact CD2-CD1 3.9Å; Y150-F187 HydrophobicContact CE1-CD1 4.02Å; Y150-F187 HydrophobicContact CE1-CE1 4.19Å; Y150-F187 AromaticContact CE2-CD1 3.83Å; Y150-F187 HydrophobicContact CE2-CD1 3.83Å; Y150-F187 HydrophobicContact CG-CD1 4.01Å; Y150-F187 HydrophobicContact CG-CE1 4.21Å; Y150-F187 AromaticContact CZ-CD1 3.89Å; F156-F187 HydrophobicContact CE1-CB 4.18Å; F156-F187 AromaticContact CE1-CD1 3.97Å; F156-F187 HydrophobicContact CE1-CD1 3.97Å; F156-F187 HydrophobicContact CE1-CG 4.18Å; F156-F187 HydrophobicContact CZ-CB 3.66Å; F156-F187 AromaticContact CZ-CD1 3.8Å; F156-F187 HydrophobicContact CZ-CD1 3.8Å; F156-F187 HydrophobicContact CZ-CD2 4.1Å; F156-F187 HydrophobicContact CZ-CE1 4.46Å; F156-F187 AromaticContact CZ-CG 3.6Å; F156-F187 HydrophobicContact CZ-CG 3.6Å; L183-F187 HydrophobicContact CD2-CD2 4.04Å; L183-F187 HydrophobicContact CD2-CE2 3.74Å; L183-F187 WeakPolarHBondContact O-CB 3.32Å; L183-F187 WeakPolarHBondContact O-CD2 3.5Å; L183-F187 PolarHBondContact O-N 2.97Å; F187-V189 HydrophobicContact CB-CG1 4.07Å; F187-V189 HydrophobicContact CB-CG2 4.02Å
188	N	96	Very high	98.3	Very high	84 Å²	84	17.3 Å²	17.3	45%	0.449	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	54	54.6	-177.6	-173.9	39.8	0	0	0	112.8	Q184 D185 K231 F468	Q184-N188 WeakPolarHBondContact O-CA 3.28Å; Q184-N188 PolarHBondContact O-N 3.41Å; D185-N188 PolarHBondContact O-N 2.74Å; N188-K231 WeakPolarHBondContact OD1-CE 3.2Å; N188-K231 PolarHBondContact OD1-NZ 3.08Å; N188-F468 WeakPolarHBondContact O-CE2 3.47Å
189	V	97.3	Very high	98.2	Very high	5 Å²	5	15.7 Å²	15.7	3%	0.03	8%	0.079	C	C	.	.			trans	-120.4	157.4	-173.8	-70.6	0	0	0	0	113.1	F156 L158 Q184 F187	F156-V189 HydrophobicContact CD1-CG1 4.05Å; F156-V189 HydrophobicContact CD2-CG1 4.45Å; F156-V189 HydrophobicContact CE1-CG1 3.71Å; F156-V189 HydrophobicContact CE2-CB 4.47Å; F156-V189 HydrophobicContact CE2-CG1 4.14Å; F156-V189 HydrophobicContact CE2-CG2 3.93Å; F156-V189 HydrophobicContact CG-CG1 4.42Å; F156-V189 HydrophobicContact CZ-CB 4.48Å; F156-V189 HydrophobicContact CZ-CG1 3.76Å; F156-V189 HydrophobicContact CZ-CG2 4.06Å; L158-V189 HydrophobicContact CD1-CG2 3.78Å; L158-V189 HydrophobicContact CG-CG2 3.77Å; Q184-V189 PolarHBondContact O-N 2.87Å; F187-V189 HydrophobicContact CB-CG1 4.07Å; F187-V189 HydrophobicContact CB-CG2 4.02Å
190	P	98.3	Very high	98.1	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.006	9%	0.086	C	C	.	.			trans	-62.5	150.9	171.4	-8.2	17.1	0	0	0	112.3	Y157 L158 K231 F297 L466 F468 F470	Y157-P190 WeakPolarHBondContact CA-O 3.15Å; Y157-P190 WeakPolarHBondContact CB-O 3.5Å; L158-P190 PolarHBondContact N-O 3.33Å; P190-K231 CarbonylContact C-O 3.52Å; P190-K231 WeakPolarHBondContact CA-O 3.44Å; P190-F297 HydrophobicContact CB-CZ 4.32Å; P190-F297 HydrophobicContact CG-CE1 4.21Å; P190-F297 HydrophobicContact CG-CZ 4.42Å; P190-L466 HydrophobicContact CB-CD1 4.02Å; P190-F468 HydrophobicContact CG-CB 4.09Å; P190-F468 HydrophobicContact CG-CD1 4.34Å; P190-F468 HydrophobicContact CG-CD2 4.23Å; P190-F468 HydrophobicContact CG-CG 3.96Å; P190-F470 HydrophobicContact CG-CE1 4.17Å; P190-F470 HydrophobicContact CG-CZ 3.57Å
191	L	98.8	Very high	98	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	134.3	175.3	171.7	61.4	0	0	0	110.3	L158 T160 T180 Q184 I193 F227 K231 T232 F233	L158-L191 HydrophobicContact CB-CB 4.24Å; L158-L191 HydrophobicContact CB-CD1 3.53Å; L158-L191 HydrophobicContact CB-CG 4.46Å; L158-L191 WeakPolarHBondContact O-CA 3.48Å; T160-L191 HydrophobicContact CG2-CD1 4.4Å; T180-L191 HydrophobicContact CG2-CD1 3.51Å; T180-L191 HydrophobicContact CG2-CD2 3.72Å; T180-L191 HydrophobicContact CG2-CG 4.27Å; Q184-L191 VanDerWaalsContact NE2-CB 3.29Å; L191-I193 HydrophobicContact CD1-CG1 4.12Å; L191-I193 HydrophobicContact CD2-CD1 3.85Å; L191-I193 HydrophobicContact CD2-CG1 3.96Å; L191-I193 HydrophobicContact CG-CD1 4.29Å; L191-I193 HydrophobicContact CG-CG1 3.83Å; L191-F227 HydrophobicContact CD2-CD1 3.39Å; L191-F227 HydrophobicContact CD2-CE1 3.23Å; L191-F227 HydrophobicContact CD2-CG 4.27Å; L191-F227 HydrophobicContact CD2-CZ 4.02Å; L191-K231 PolarHBondContact N-O 3.08Å; L191-T232 HydrophobicContact CB-CG2 4.46Å; L191-T232 HydrophobicContact CD2-CG2 4Å; L191-T232 HydrophobicContact CG-CG2 4.19Å; L191-T232 WeakPolarHBondContact O-CA 3.45Å; L191-F233 PolarHBondContact O-N 3.19Å
192	V	98.9	Very high	97.9	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	137.7	164.7	-60.7	0	0	0	0	110.2	Y157 L158 Y159 T160 F233 F235 F293 I296	Y157-V192 HydrophobicContact CD2-CG2 4.17Å; Y157-V192 HydrophobicContact CE2-CG2 4Å; L158-V192 PolarHBondContact O-N 2.91Å; Y159-V192 WeakPolarHBondContact CA-O 3.33Å; Y159-V192 HydrophobicContact CD2-CG2 4.04Å; Y159-V192 HydrophobicContact CG-CG2 4.18Å; T160-V192 PolarHBondContact N-O 3.48Å; V192-F233 CarbonylContact C-O 3.59Å; V192-F233 VanDerWaalsContact CA-O 3.28Å; V192-F233 WeakPolarHBondContact CA-O 3.44Å; V192-F233 HydrophobicContact CG1-CB 4.49Å; V192-F233 HydrophobicContact CG1-CD1 4.32Å; V192-F235 HydrophobicContact CB-CE1 4.36Å; V192-F293 HydrophobicContact CB-CE1 4.17Å; V192-F293 HydrophobicContact CB-CE2 4.25Å; V192-F293 HydrophobicContact CB-CZ 3.92Å; V192-F293 HydrophobicContact CG1-CD1 4.04Å; V192-F293 HydrophobicContact CG1-CD2 4.06Å; V192-F293 HydrophobicContact CG1-CE1 4Å; V192-F293 HydrophobicContact CG1-CE2 4Å; V192-F293 HydrophobicContact CG1-CG 4.08Å; V192-F293 HydrophobicContact CG1-CZ 3.97Å; V192-F293 HydrophobicContact CG2-CE1 4.47Å; V192-F293 HydrophobicContact CG2-CE2 3.78Å; V192-F293 HydrophobicContact CG2-CZ 3.73Å; V192-I296 HydrophobicContact CG1-CD1 3.82Å
193	I	98.9	Very high	97.6	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	114.9	178.6	-52.6	-176.9	0	0	0	109.2	T160 F177 L191 M195 I222 F227 T232 F233 I234 F235	T160-I193 HydrophobicContact CG2-CG1 4.31Å; T160-I193 VanDerWaalsContact O-CA 3.28Å; T160-I193 WeakPolarHBondContact O-CA 3.48Å; F177-I193 HydrophobicContact CD1-CD1 4.49Å; F177-I193 HydrophobicContact CE1-CD1 4.33Å; F177-I193 HydrophobicContact CE1-CG2 3.94Å; L191-I193 HydrophobicContact CD1-CG1 4.12Å; L191-I193 HydrophobicContact CD2-CD1 3.85Å; L191-I193 HydrophobicContact CD2-CG1 3.96Å; L191-I193 HydrophobicContact CG-CD1 4.29Å; L191-I193 HydrophobicContact CG-CG1 3.83Å; I193-M195 HydrophobicContact CG2-SD 4.32Å; I193-I222 HydrophobicContact CD1-CG2 3.5Å; I193-I222 HydrophobicContact CG2-CD1 4.29Å; I193-F227 HydrophobicContact CD1-CD2 4.35Å; I193-F227 HydrophobicContact CD1-CE2 4.15Å; I193-F227 HydrophobicContact CD1-CZ 4.34Å; I193-T232 HydrophobicContact CD1-CG2 3.94Å; I193-T232 HydrophobicContact CG1-CG2 4.27Å; I193-F233 PolarHBondContact N-O 3.32Å; I193-I234 HydrophobicContact CB-CB 4.43Å; I193-I234 HydrophobicContact CB-CG1 4.11Å; I193-I234 HydrophobicContact CB-CG2 4.3Å; I193-I234 HydrophobicContact CD1-CD1 4.43Å; I193-I234 HydrophobicContact CD1-CG1 4.21Å; I193-I234 HydrophobicContact CG1-CG1 4.44Å; I193-I234 HydrophobicContact CG2-CG2 4.45Å; I193-I234 CarbonylContact O-C 3.49Å; I193-I234 WeakPolarHBondContact O-CA 3.31Å; I193-F235 WeakPolarHBondContact O-CD1 3.4Å; I193-F235 PolarHBondContact O-N 3.39Å
194	Q	98.9	Very high	97.3	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	129.3	177.4	-173.4	173.6	25.2	0	0	111	Y159 T160 G161 R162 T196 F235 D237 I283 P287	Y159-Q194 HydrophobicContact CE2-CB 3.8Å; Y159-Q194 PolarHBondContact OH-OE1 2.86Å; T160-Q194 PolarHBondContact O-N 3.02Å; G161-Q194 CarbonylContact C-O 3.55Å; G161-Q194 WeakPolarHBondContact CA-O 3.47Å; R162-Q194 PolarHBondContact N-O 3.22Å; Q194-T196 HydrophobicContact CG-CG2 3.72Å; Q194-F235 HydrophobicContact CB-CE1 3.94Å; Q194-F235 HydrophobicContact CB-CE2 4.02Å; Q194-F235 HydrophobicContact CB-CZ 3.46Å; Q194-F235 VanDerWaalsContact CB-CZ 3.46Å; Q194-F235 HydrophobicContact CG-CE1 4.46Å; Q194-F235 HydrophobicContact CG-CE2 3.62Å; Q194-F235 HydrophobicContact CG-CZ 3.56Å; Q194-D237 WeakPolarHBondContact CG-OD1 3.29Å; Q194-D237 PolarHBondContact NE2-OD1 2.93Å; Q194-D237 PolarHBondContact NE2-OD2 3.34Å; Q194-I283 PolarHBondContact NE2-O 3.17Å; Q194-P287 HydrophobicContact CB-CG 4.49Å
195	M	98.8	Very high	97	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	106.1	168.6	-55	-56	-62.5	0	0	108.5	R162 P164 I193 D197 A215 N218 I222 I234 F235 D237	R162-M195 HydrophobicContact CB-CE 4.08Å; R162-M195 HydrophobicContact CB-SD 4.19Å; R162-M195 HydrophobicContact CG-CE 4.03Å; R162-M195 WeakPolarHBondContact O-CA 3.19Å; P164-M195 HydrophobicContact CB-CE 4.17Å; P164-M195 HydrophobicContact CG-CE 4.45Å; I193-M195 HydrophobicContact CG2-SD 4.32Å; M195-D197 PolarHBondContact O-N 3.47Å; M195-A215 HydrophobicContact CB-CB 4.02Å; M195-N218 HydrophobicContact CE-CB 3.71Å; M195-I222 HydrophobicContact CE-CD1 4.06Å; M195-I222 HydrophobicContact SD-CD1 3.65Å; M195-I234 HydrophobicContact CG-CG2 3.7Å; M195-I234 HydrophobicContact SD-CG2 4.13Å; M195-F235 WeakPolarHBondContact CB-O 3.2Å; M195-F235 PolarHBondContact N-O 2.95Å; M195-D237 PolarHBondContact O-N 2.84Å; M195-D237 VanDerWaalsContact O-N 3.09Å
196	T	98.2	Very high	96.8	Very high	10 Å²	10	32.4 Å²	32.4	6%	0.061	16%	0.156	C	C	.	.			trans	-88.5	59	-174.1	67	0	0	0	0	110.6	R162 G163 Q194 D198 E199 K200 D237 F280	R162-T196 PolarHBondContact O-N 3.41Å; R162-T196 VanDerWaalsContact O-N 3.15Å; G163-T196 WeakPolarHBondContact CA-OG1 3.44Å; G163-T196 PolarHBondContact N-OG1 3.31Å; Q194-T196 HydrophobicContact CG-CG2 3.72Å; T196-D198 VanDerWaalsContact C-N 3.33Å; T196-E199 PolarHBondContact O-N 3.31Å; T196-E199 PolarHBondContact OG1-OE2 3.38Å; T196-K200 PolarHBondContact O-N 2.95Å; T196-D237 WeakPolarHBondContact CA-OD2 3.41Å; T196-D237 WeakPolarHBondContact CG2-OD2 3.4Å; T196-F280 HydrophobicContact CG2-CE2 4.09Å; T196-F280 HydrophobicContact CG2-CZ 3.72Å
197	D	98.3	Very high	96.8	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-66.4	-34.2	178.4	45.8	0.8	0	0	0	112.8	P164 M195 E199 K200 Y201 A211 A215 S236 D237 L238	P164-D197 HydrophobicContact CG-CB 3.95Å; M195-D197 PolarHBondContact O-N 3.47Å; D197-E199 PolarHBondContact O-N 3.47Å; D197-K200 PolarHBondContact O-N 3.1Å; D197-Y201 PolarHBondContact O-N 3.2Å; D197-A211 HydrophobicContact CB-CB 4.16Å; D197-A211 WeakPolarHBondContact O-CB 3.15Å; D197-A215 HydrophobicContact CB-CB 4.1Å; D197-S236 VanDerWaalsContact CG-OG 3.28Å; D197-S236 PolarHBondContact OD1-OG 3.29Å; D197-S236 VanDerWaalsContact OD2-CB 3.31Å; D197-S236 WeakPolarHBondContact OD2-CB 3.46Å; D197-S236 PolarHBondContact OD2-OG 2.99Å; D197-D237 PolarHBondContact OD1-N 3.4Å; D197-L238 HydrophobicContact CB-CD1 4.19Å; D197-L238 PolarHBondContact OD1-N 2.82Å
198	D	98.2	Very high	96.9	Very high	16 Å²	16	38.5 Å²	38.5	9%	0.086	19%	0.191	C	C	.	.	H	α-helix	trans	-57	-44.7	168.8	67.2	-23.2	0	0	0	112.5	T196 K200 Y201 L202 D237 L238 I283	T196-D198 VanDerWaalsContact C-N 3.33Å; D198-K200 VanDerWaalsContact C-N 3.35Å; D198-K200 PolarHBondContact O-N 3.12Å; D198-Y201 WeakPolarHBondContact O-CB 3.3Å; D198-Y201 PolarHBondContact O-N 3.25Å; D198-L202 WeakPolarHBondContact O-CB 3.44Å; D198-L202 WeakPolarHBondContact O-CG 3.2Å; D198-L202 PolarHBondContact O-N 3.32Å; D198-D237 HydrophobicContact CB-CB 4.28Å; D198-D237 VanDerWaalsContact CG-CB 3.47Å; D198-D237 WeakPolarHBondContact OD1-CB 3.36Å; D198-L238 HydrophobicContact CB-CD2 3.84Å; D198-L238 HydrophobicContact CB-CG 4.24Å; D198-I283 WeakPolarHBondContact OD2-CD1 3.32Å
199	E	97.3	Very high	96.9	Very high	11 Å²	11	40.9 Å²	40.9	5%	0.051	20%	0.204	C	C	.	.	H	α-helix	trans	-61.7	-41.9	173.6	175.8	-95.1	158.8	0	0	111.6	T196 D197 Y201 L202 W203 F280	T196-E199 PolarHBondContact O-N 3.31Å; T196-E199 PolarHBondContact OG1-OE2 3.38Å; D197-E199 PolarHBondContact O-N 3.47Å; E199-Y201 VanDerWaalsContact C-N 3.32Å; E199-Y201 PolarHBondContact O-N 2.75Å; E199-L202 PolarHBondContact O-N 2.89Å; E199-L202 VanDerWaalsContact O-N 3.16Å; E199-W203 HydrophobicContact CB-CE3 4.31Å; E199-W203 HydrophobicContact CB-CZ3 4.15Å; E199-W203 HydrophobicContact CG-CD2 4.28Å; E199-W203 HydrophobicContact CG-CE3 3.67Å; E199-W203 HydrophobicContact CG-CH2 4.28Å; E199-W203 HydrophobicContact CG-CZ3 3.65Å; E199-W203 PolarHBondContact O-N 3.44Å; E199-F280 HydrophobicContact CB-CD1 4.09Å; E199-F280 HydrophobicContact CB-CD2 3.79Å; E199-F280 HydrophobicContact CB-CE1 3.76Å; E199-F280 HydrophobicContact CB-CE2 3.45Å; E199-F280 VanDerWaalsContact CB-CE2 3.45Å; E199-F280 HydrophobicContact CB-CG 4.11Å; E199-F280 HydrophobicContact CB-CZ 3.43Å; E199-F280 VanDerWaalsContact CB-CZ 3.43Å; E199-F280 HydrophobicContact CG-CD1 3.92Å; E199-F280 HydrophobicContact CG-CE1 3.58Å; E199-F280 HydrophobicContact CG-CE2 4.25Å; E199-F280 HydrophobicContact CG-CG 4.38Å; E199-F280 HydrophobicContact CG-CZ 3.77Å
200	K	95.5	Very high	96.9	Very high	34 Å²	34	44.6 Å²	44.6	15%	0.148	22%	0.221	C	C	.	.	H	α-helix	trans	-67	-35.5	177.5	-64.3	-55.2	178.1	-141.2	0	112.6	G163 T196 D197 D198 K204 L206	G163-K200 WeakPolarHBondContact O-CE 3.31Å; T196-K200 PolarHBondContact O-N 2.95Å; D197-K200 PolarHBondContact O-N 3.1Å; D198-K200 VanDerWaalsContact C-N 3.35Å; D198-K200 PolarHBondContact O-N 3.12Å; K200-K204 VanDerWaalsContact O-CB 3.27Å; K200-K204 WeakPolarHBondContact O-CB 3.25Å; K200-K204 PolarHBondContact O-N 3.35Å; K200-L206 HydrophobicContact CB-CD1 4.31Å
201	Y	97.1	Very high	96.9	Very high	103 Å²	103	44.6 Å²	44.6	40%	0.404	22%	0.22	S	C	.	.	H	α-helix	trans	-62.7	-42.3	169.6	171.3	-100.5	0	0	0	112.4	D197 D198 E199 W203 L206 L208	D197-Y201 PolarHBondContact O-N 3.2Å; D198-Y201 WeakPolarHBondContact O-CB 3.3Å; D198-Y201 PolarHBondContact O-N 3.25Å; E199-Y201 VanDerWaalsContact C-N 3.32Å; E199-Y201 PolarHBondContact O-N 2.75Å; Y201-W203 PolarHBondContact O-N 3.38Å; Y201-L206 WeakPolarHBondContact CD2-O 3.45Å; Y201-L206 VanDerWaalsContact CE2-O 3.29Å; Y201-L206 WeakPolarHBondContact CE2-O 3.36Å; Y201-L208 HydrophobicContact CD1-CD2 3.74Å; Y201-L208 HydrophobicContact CD2-CD2 3.73Å; Y201-L208 HydrophobicContact CD2-CG 4.03Å; Y201-L208 HydrophobicContact CE1-CD2 4.08Å; Y201-L208 HydrophobicContact CE2-CD2 4.09Å; Y201-L208 HydrophobicContact CE2-CG 4.02Å; Y201-L208 HydrophobicContact CG-CD2 3.55Å; Y201-L208 HydrophobicContact CG-CG 4.35Å
202	L	96.9	Very high	96.9	Very high	42 Å²	42	48.4 Å²	48.4	22%	0.22	24%	0.235	C	C	.	.	H	α-helix	trans	-72.2	-26.2	-176.7	-72.4	169.3	0	0	0	114	D198 E199 K277	D198-L202 WeakPolarHBondContact O-CB 3.44Å; D198-L202 WeakPolarHBondContact O-CG 3.2Å; D198-L202 PolarHBondContact O-N 3.32Å; E199-L202 PolarHBondContact O-N 2.89Å; E199-L202 VanDerWaalsContact O-N 3.16Å; L202-K277 HydrophobicContact CB-CG 4.25Å; L202-K277 WeakPolarHBondContact O-CE 3.26Å
203	W	93.4	Very high	96.8	Very high	59 Å²	59	51.1 Å²	51.1	22%	0.223	25%	0.254	C	S	.	.	H	α-helix	trans	-103.5	-15.6	-178.7	-87	-106.8	0	0	0	114.6	W88 E199 Y201 F269 K277 F280	W88-W203 AromaticContact CE2-NE1 3.67Å; W88-W203 AromaticContact CZ2-CE2 3.98Å; W88-W203 AromaticContact CZ2-CZ2 3.73Å; W88-W203 HydrophobicContact CZ2-CZ2 3.73Å; W88-W203 AromaticContact CZ2-NE1 3.78Å; W88-W203 AromaticContact NE1-CD1 3.8Å; W88-W203 AromaticContact NE1-CE2 3.99Å; W88-W203 AromaticContact NE1-NE1 3.37Å; E199-W203 HydrophobicContact CB-CE3 4.31Å; E199-W203 HydrophobicContact CB-CZ3 4.15Å; E199-W203 HydrophobicContact CG-CD2 4.28Å; E199-W203 HydrophobicContact CG-CE3 3.67Å; E199-W203 HydrophobicContact CG-CH2 4.28Å; E199-W203 HydrophobicContact CG-CZ3 3.65Å; E199-W203 PolarHBondContact O-N 3.44Å; Y201-W203 PolarHBondContact O-N 3.38Å; W203-F269 HydrophobicContact CH2-CZ 4.35Å; W203-F269 AromaticContact CZ2-CE1 3.76Å; W203-F269 HydrophobicContact CZ2-CE1 3.76Å; W203-F269 AromaticContact CZ2-CZ 3.86Å; W203-F269 HydrophobicContact CZ2-CZ 3.86Å; W203-K277 HydrophobicContact CD2-CD 4.03Å; W203-K277 HydrophobicContact CD2-CG 3.82Å; W203-K277 HydrophobicContact CE3-CD 4.41Å; W203-K277 HydrophobicContact CE3-CG 3.7Å; W203-K277 HydrophobicContact CG-CD 4.47Å; W203-K277 VanDerWaalsContact CH2-CA 3.43Å; W203-K277 HydrophobicContact CH2-CB 3.66Å; W203-K277 HydrophobicContact CH2-CG 3.75Å; W203-K277 HydrophobicContact CZ2-CB 3.79Å; W203-K277 HydrophobicContact CZ2-CD 4.16Å; W203-K277 HydrophobicContact CZ2-CG 3.79Å; W203-K277 HydrophobicContact CZ3-CB 4.03Å; W203-K277 HydrophobicContact CZ3-CG 3.7Å; W203-F280 HydrophobicContact CH2-CB 3.89Å; W203-F280 AromaticContact CH2-CD1 3.83Å; W203-F280 HydrophobicContact CH2-CD1 3.83Å; W203-F280 HydrophobicContact CH2-CG 4.09Å; W203-F280 HydrophobicContact CZ3-CB 4.01Å; W203-F280 HydrophobicContact CZ3-CD1 4.1Å; W203-F280 HydrophobicContact CZ3-CG 4.07Å
204	K	91.1	Very high	96.8	Very high	93 Å²	93	53 Å²	53	40%	0.404	26%	0.262	S	S	.	.	S	Bend	trans	-126.6	159.6	-176.2	-59.3	-171.2	167.6	-155	0	111.6	S165 K200 L206	S165-K204 PolarHBondContact O-NZ 2.86Å; K200-K204 VanDerWaalsContact O-CB 3.27Å; K200-K204 WeakPolarHBondContact O-CB 3.25Å; K200-K204 PolarHBondContact O-N 3.35Å; K204-L206 VanDerWaalsContact C-N 3.28Å; K204-L206 HydrophobicContact CB-CD1 4.11Å; K204-L206 HydrophobicContact CB-CG 4Å; K204-L206 HydrophobicContact CD-CD1 4.27Å; K204-L206 PolarHBondContact O-N 2.85Å
205	D	92.8	Very high	96.7	Very high	171 Å²	171	53 Å²	53	91%	0.914	26%	0.261	S	S	*	.	S	Bend	trans	-77	81.5	170	-170.4	20.9	0	0	0	109.7
206	L	94.1	Very high	96.7	Very high	25 Å²	25	54.4 Å²	54.4	13%	0.131	27%	0.27	C	S	.	.			trans	-131.8	149	177.3	-65.3	175.2	0	0	0	109.1	K200 Y201 K204 Q210 Y214	K200-L206 HydrophobicContact CB-CD1 4.31Å; Y201-L206 WeakPolarHBondContact CD2-O 3.45Å; Y201-L206 VanDerWaalsContact CE2-O 3.29Å; Y201-L206 WeakPolarHBondContact CE2-O 3.36Å; K204-L206 VanDerWaalsContact C-N 3.28Å; K204-L206 HydrophobicContact CB-CD1 4.11Å; K204-L206 HydrophobicContact CB-CG 4Å; K204-L206 HydrophobicContact CD-CD1 4.27Å; K204-L206 PolarHBondContact O-N 2.85Å; L206-Q210 HydrophobicContact CD2-CB 4.39Å; L206-Y214 HydrophobicContact CD1-CD2 4.23Å; L206-Y214 HydrophobicContact CD1-CE2 4.07Å; L206-Y214 HydrophobicContact CD2-CE2 3.8Å
207	T	97.7	Very high	96.7	Very high	74 Å²	74	56.2 Å²	56.2	45%	0.454	28%	0.278	S	S	.	.			trans	-76.4	159.6	161.9	60.4	0	0	0	0	110.4	D209 Q210 A211	T207-D209 VanDerWaalsContact C-N 3.28Å; T207-D209 PolarHBondContact O-N 3.03Å; T207-Q210 PolarHBondContact O-N 3.39Å; T207-Q210 WeakPolarHBondContact OG1-CB 3.38Å; T207-Q210 WeakPolarHBondContact OG1-CG 3.42Å; T207-Q210 PolarHBondContact OG1-N 3.24Å; T207-Q210 PolarHBondContact OG1-OE1 3.04Å; T207-A211 PolarHBondContact O-N 2.8Å
208	L	97.4	Very high	96.7	Very high	79 Å²	79	56.2 Å²	56.2	41%	0.414	28%	0.278	S	S	.	.	H	α-helix	trans	-58.9	-41.5	173.7	-70.4	173.4	0	0	0	111.7	Y201 Q210 A211 Y212 L238	Y201-L208 HydrophobicContact CD1-CD2 3.74Å; Y201-L208 HydrophobicContact CD2-CD2 3.73Å; Y201-L208 HydrophobicContact CD2-CG 4.03Å; Y201-L208 HydrophobicContact CE1-CD2 4.08Å; Y201-L208 HydrophobicContact CE2-CD2 4.09Å; Y201-L208 HydrophobicContact CE2-CG 4.02Å; Y201-L208 HydrophobicContact CG-CD2 3.55Å; Y201-L208 HydrophobicContact CG-CG 4.35Å; L208-Q210 VanDerWaalsContact C-N 3.32Å; L208-Q210 PolarHBondContact O-N 2.84Å; L208-A211 PolarHBondContact O-N 3.07Å; L208-Y212 WeakPolarHBondContact O-CB 3.48Å; L208-Y212 PolarHBondContact O-N 2.7Å; L208-L238 HydrophobicContact CD2-CD1 4.07Å; L208-L238 HydrophobicContact CD2-CD2 3.84Å
209	D	97.8	Very high	96.7	Very high	135 Å²	135	55.4 Å²	55.4	72%	0.722	27%	0.274	S	S	*	.	H	α-helix	trans	-61.8	-39.3	177.8	-66	-18.7	0	0	0	111.8	T207 S213	T207-D209 VanDerWaalsContact C-N 3.28Å; T207-D209 PolarHBondContact O-N 3.03Å; D209-S213 WeakPolarHBondContact O-CB 3.42Å; D209-S213 PolarHBondContact O-N 3.46Å
210	Q	97.4	Very high	96.8	Very high	83 Å²	83	56.1 Å²	56.1	39%	0.388	28%	0.277	S	S	.	.	H	α-helix	trans	-66.8	-45.5	174.8	-76.1	168.6	-50.7	0	0	112	L206 T207 L208 Y212 S213 Y214	L206-Q210 HydrophobicContact CD2-CB 4.39Å; T207-Q210 PolarHBondContact O-N 3.39Å; T207-Q210 WeakPolarHBondContact OG1-CB 3.38Å; T207-Q210 WeakPolarHBondContact OG1-CG 3.42Å; T207-Q210 PolarHBondContact OG1-N 3.24Å; T207-Q210 PolarHBondContact OG1-OE1 3.04Å; L208-Q210 VanDerWaalsContact C-N 3.32Å; L208-Q210 PolarHBondContact O-N 2.84Å; Q210-Y212 VanDerWaalsContact C-N 3.32Å; Q210-Y212 PolarHBondContact O-N 3.07Å; Q210-S213 PolarHBondContact O-N 3.4Å; Q210-Y214 WeakPolarHBondContact O-CD1 3.28Å; Q210-Y214 VanDerWaalsContact O-CG 3.25Å; Q210-Y214 PolarHBondContact O-N 2.98Å
211	A	97.7	Very high	96.9	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-60.9	-44.3	178.8	0	0	0	0	0	111.3	D197 T207 L208 Y214 A215	D197-A211 HydrophobicContact CB-CB 4.16Å; D197-A211 WeakPolarHBondContact O-CB 3.15Å; T207-A211 PolarHBondContact O-N 2.8Å; L208-A211 PolarHBondContact O-N 3.07Å; A211-Y214 PolarHBondContact O-N 3.11Å; A211-A215 PolarHBondContact O-N 3.41Å
212	Y	97.7	Very high	97	Very high	80 Å²	80	49.6 Å²	49.6	31%	0.314	25%	0.251	S	S	.	.	H	α-helix	trans	-63.4	-45.9	174.9	-170.5	-93.4	0	0	0	112.1	L208 Q210 Y214 A215 V216 D239	L208-Y212 WeakPolarHBondContact O-CB 3.48Å; L208-Y212 PolarHBondContact O-N 2.7Å; Q210-Y212 VanDerWaalsContact C-N 3.32Å; Q210-Y212 PolarHBondContact O-N 3.07Å; Y212-Y214 VanDerWaalsContact C-N 3.27Å; Y212-Y214 PolarHBondContact O-N 3.01Å; Y212-A215 WeakPolarHBondContact O-CA 3.28Å; Y212-A215 VanDerWaalsContact O-CB 3.24Å; Y212-A215 WeakPolarHBondContact O-CB 3.42Å; Y212-A215 PolarHBondContact O-N 3.41Å; Y212-V216 HydrophobicContact CD1-CG2 4.13Å; Y212-V216 HydrophobicContact CE1-CG2 3.81Å; Y212-V216 PolarHBondContact O-N 3.15Å; Y212-D239 WeakPolarHBondContact CE2-OD2 3.37Å; Y212-D239 VanDerWaalsContact CZ-OD2 3.28Å; Y212-D239 PolarHBondContact OH-OD2 3.17Å
213	S	98	Very high	97.1	Very high	57 Å²	57	48.3 Å²	48.3	40%	0.399	24%	0.243	S	C	.	.	H	α-helix	trans	-59.6	-38.6	176.3	-174.3	0	0	0	0	111.9	D209 Q210 A215 V216 E217	D209-S213 WeakPolarHBondContact O-CB 3.42Å; D209-S213 PolarHBondContact O-N 3.46Å; Q210-S213 PolarHBondContact O-N 3.4Å; S213-A215 VanDerWaalsContact C-N 3.34Å; S213-V216 PolarHBondContact O-N 3.21Å; S213-E217 PolarHBondContact O-N 2.84Å
214	Y	97.6	Very high	97.3	Very high	40 Å²	40	45.6 Å²	45.6	16%	0.157	23%	0.234	C	C	.	.	H	α-helix	trans	-67.2	-35.5	174.6	-65.2	-11.5	0	0	0	111.9	E167 L206 Q210 A211 Y212 E217 N218	E167-Y214 HydrophobicContact CB-CD1 4.47Å; E167-Y214 HydrophobicContact CG-CD1 3.58Å; E167-Y214 HydrophobicContact CG-CE1 3.37Å; L206-Y214 HydrophobicContact CD1-CD2 4.23Å; L206-Y214 HydrophobicContact CD1-CE2 4.07Å; L206-Y214 HydrophobicContact CD2-CE2 3.8Å; Q210-Y214 WeakPolarHBondContact O-CD1 3.28Å; Q210-Y214 VanDerWaalsContact O-CG 3.25Å; Q210-Y214 PolarHBondContact O-N 2.98Å; A211-Y214 PolarHBondContact O-N 3.11Å; Y212-Y214 VanDerWaalsContact C-N 3.27Å; Y212-Y214 PolarHBondContact O-N 3.01Å; Y214-E217 PolarHBondContact O-N 3.25Å; Y214-N218 VanDerWaalsContact O-CB 3.3Å; Y214-N218 WeakPolarHBondContact O-CB 3.49Å; Y214-N218 PolarHBondContact O-N 2.89Å; Y214-N218 PolarHBondContact O-ND2 3.39Å
215	A	98.4	Very high	97.6	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-59	-47.6	173.3	0	0	0	0	0	111.2	P164 M195 D197 A211 Y212 S213 N218 A219	P164-A215 HydrophobicContact CB-CB 4.43Å; P164-A215 HydrophobicContact CG-CB 3.87Å; M195-A215 HydrophobicContact CB-CB 4.02Å; D197-A215 HydrophobicContact CB-CB 4.1Å; A211-A215 PolarHBondContact O-N 3.41Å; Y212-A215 WeakPolarHBondContact O-CA 3.28Å; Y212-A215 VanDerWaalsContact O-CB 3.24Å; Y212-A215 WeakPolarHBondContact O-CB 3.42Å; Y212-A215 PolarHBondContact O-N 3.41Å; S213-A215 VanDerWaalsContact C-N 3.34Å; A215-N218 PolarHBondContact O-N 2.83Å; A215-A219 VanDerWaalsContact O-CB 3.31Å; A215-A219 WeakPolarHBondContact O-CB 3.43Å; A215-A219 PolarHBondContact O-N 3.31Å
216	V	98.3	Very high	97.9	Very high	31 Å²	31	35.9 Å²	35.9	19%	0.188	20%	0.197	C	C	.	.	H	α-helix	trans	-62.5	-45.8	178.6	174.9	0	0	0	0	111.4	Y212 S213 A219 K220 V457	Y212-V216 HydrophobicContact CD1-CG2 4.13Å; Y212-V216 HydrophobicContact CE1-CG2 3.81Å; Y212-V216 PolarHBondContact O-N 3.15Å; S213-V216 PolarHBondContact O-N 3.21Å; V216-A219 WeakPolarHBondContact O-CB 3.35Å; V216-A219 PolarHBondContact O-N 3.38Å; V216-K220 PolarHBondContact O-N 3.44Å; V216-K220 VanDerWaalsContact O-N 3.15Å; V216-V457 HydrophobicContact CG1-CG1 4.17Å
217	E	97.9	Very high	98.1	Very high	47 Å²	47	35.2 Å²	35.2	22%	0.22	19%	0.193	C	C	.	.	H	α-helix	trans	-69.2	-35.4	179.4	-73.1	-58.8	121.1	0	0	113.2	S213 Y214 K220 D221 R449	S213-E217 PolarHBondContact O-N 2.84Å; Y214-E217 PolarHBondContact O-N 3.25Å; E217-K220 WeakPolarHBondContact O-CB 3.36Å; E217-K220 PolarHBondContact O-N 2.92Å; E217-K220 WeakPolarHBondContact OE1-CE 3.28Å; E217-K220 IonicContact OE1-NZ 2.66Å; E217-K220 PolarHBondContact OE1-NZ 3.21Å; E217-D221 PolarHBondContact O-N 2.66Å; E217-R449 PolarHBondContact O-NH2 2.99Å; E217-R449 IonicContact OE2-CZ 2.73Å; E217-R449 IonicContact OE2-NH1 3.05Å; E217-R449 IonicContact OE2-NH2 3.34Å; E217-R449 PolarHBondContact OE2-NH2 2.79Å
218	N	98.2	Very high	98.1	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-70.8	-33.3	172.5	-78.4	-146.6	0	0	0	111	R162 P164 S166 E167 M169 M195 Y214 A215 K220 D221 I222	R162-N218 PolarHBondContact NE-OD1 3.43Å; P164-N218 HydrophobicContact CB-CB 4.25Å; S166-N218 PolarHBondContact O-ND2 3.4Å; E167-N218 PolarHBondContact O-ND2 3.23Å; M169-N218 HydrophobicContact CG-CB 4.41Å; M169-N218 HydrophobicContact SD-CB 3.99Å; M195-N218 HydrophobicContact CE-CB 3.71Å; Y214-N218 VanDerWaalsContact O-CB 3.3Å; Y214-N218 WeakPolarHBondContact O-CB 3.49Å; Y214-N218 PolarHBondContact O-N 2.89Å; Y214-N218 PolarHBondContact O-ND2 3.39Å; A215-N218 PolarHBondContact O-N 2.83Å; N218-K220 VanDerWaalsContact C-N 3.28Å; N218-K220 PolarHBondContact O-N 3.43Å; N218-D221 WeakPolarHBondContact O-CB 3.43Å; N218-D221 PolarHBondContact O-N 3.31Å; N218-I222 VanDerWaalsContact O-CG1 3.31Å; N218-I222 WeakPolarHBondContact O-CG1 3.46Å; N218-I222 PolarHBondContact O-N 2.94Å
219	A	98.6	Very high	98.1	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-61.6	-36.7	173.8	0	0	0	0	0	111.5	A215 V216 D221 I222 I223 I234 V457 M461	A215-A219 VanDerWaalsContact O-CB 3.31Å; A215-A219 WeakPolarHBondContact O-CB 3.43Å; A215-A219 PolarHBondContact O-N 3.31Å; V216-A219 WeakPolarHBondContact O-CB 3.35Å; V216-A219 PolarHBondContact O-N 3.38Å; A219-D221 VanDerWaalsContact C-N 3.34Å; A219-D221 PolarHBondContact O-N 2.98Å; A219-I222 PolarHBondContact O-N 3.34Å; A219-I223 WeakPolarHBondContact O-CB 3.41Å; A219-I223 WeakPolarHBondContact O-CD1 3.47Å; A219-I223 WeakPolarHBondContact O-CG1 3.39Å; A219-I223 PolarHBondContact O-N 3.35Å; A219-I234 HydrophobicContact CB-CG2 4.38Å; A219-V457 HydrophobicContact CB-CG1 4.21Å; A219-M461 HydrophobicContact CB-SD 4.24Å
220	K	98.5	Very high	98.1	Very high	25 Å²	25	29.1 Å²	29.1	11%	0.109	16%	0.158	C	C	.	.	H	α-helix	trans	-59	-43.9	172.7	-68.5	174.5	-179.9	170.8	0	112.3	V216 E217 N218 A224 R449 V452 D454 V457	V216-K220 PolarHBondContact O-N 3.44Å; V216-K220 VanDerWaalsContact O-N 3.15Å; E217-K220 WeakPolarHBondContact O-CB 3.36Å; E217-K220 PolarHBondContact O-N 2.92Å; E217-K220 WeakPolarHBondContact OE1-CE 3.28Å; E217-K220 IonicContact OE1-NZ 2.66Å; E217-K220 PolarHBondContact OE1-NZ 3.21Å; N218-K220 VanDerWaalsContact C-N 3.28Å; N218-K220 PolarHBondContact O-N 3.43Å; K220-A224 WeakPolarHBondContact O-CB 3.4Å; K220-A224 PolarHBondContact O-N 3.02Å; K220-R449 HydrophobicContact CB-CG 4.28Å; K220-V452 HydrophobicContact CB-CG1 4.32Å; K220-V452 HydrophobicContact CG-CG1 4.05Å; K220-D454 VanDerWaalsContact CE-OD1 3.27Å; K220-D454 WeakPolarHBondContact CE-OD1 3.45Å; K220-D454 IonicContact NZ-OD1 2.71Å; K220-D454 PolarHBondContact NZ-OD1 3.3Å; K220-V457 HydrophobicContact CD-CG2 4.32Å; K220-V457 HydrophobicContact CG-CG2 3.46Å; K220-V457 VanDerWaalsContact CG-CG2 3.46Å
221	D	98.2	Very high	98.2	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-65.4	-40.9	175	-79.9	-40.5	0	0	0	112	M169 E217 N218 A219 A224 C225 L361 H445 R449	M169-D221 HydrophobicContact CB-CB 4.48Å; M169-D221 HydrophobicContact CE-CB 4.47Å; M169-D221 HydrophobicContact CG-CB 4.37Å; M169-D221 HydrophobicContact SD-CB 3.48Å; M169-D221 WeakPolarHBondContact SD-CB 3.47Å; E217-D221 PolarHBondContact O-N 2.66Å; N218-D221 WeakPolarHBondContact O-CB 3.43Å; N218-D221 PolarHBondContact O-N 3.31Å; A219-D221 VanDerWaalsContact C-N 3.34Å; A219-D221 PolarHBondContact O-N 2.98Å; D221-A224 WeakPolarHBondContact O-CB 3.39Å; D221-A224 PolarHBondContact O-N 2.94Å; D221-C225 PolarHBondContact O-N 2.89Å; D221-L361 HydrophobicContact CB-CD1 4.25Å; D221-H445 PolarHBondContact O-CE1 3.25Å; D221-H445 IonicContact OD1-CD2 3.8Å; D221-H445 IonicContact OD1-CE1 3.62Å; D221-H445 IonicContact OD1-NE2 3.27Å; D221-H445 PolarHBondContact OD1-NE2 3.05Å; D221-R449 WeakPolarHBondContact OD1-CD 3.42Å; D221-R449 IonicContact OD1-NE 3.95Å; D221-R449 PolarHBondContact OD1-NE 3.48Å; D221-R449 IonicContact OD2-NE 2.85Å
222	I	98.6	Very high	98.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-64.2	-46.4	177.6	-67.5	165.5	0	0	0	110.8	R162 M169 F177 I193 M195 N218 A219 A224 C225 F227 I234	R162-I222 HydrophobicContact CB-CD1 4.3Å; M169-I222 HydrophobicContact CE-CG1 4.26Å; M169-I222 HydrophobicContact SD-CG1 4.26Å; F177-I222 HydrophobicContact CD1-CG1 4.28Å; F177-I222 HydrophobicContact CD1-CG2 4.01Å; F177-I222 HydrophobicContact CD2-CG1 4.12Å; F177-I222 HydrophobicContact CE1-CD1 3.85Å; F177-I222 HydrophobicContact CE1-CG1 3.89Å; F177-I222 HydrophobicContact CE1-CG2 3.99Å; F177-I222 HydrophobicContact CE2-CD1 3.97Å; F177-I222 HydrophobicContact CE2-CG1 3.73Å; F177-I222 HydrophobicContact CG-CG1 4.4Å; F177-I222 HydrophobicContact CZ-CD1 3.43Å; F177-I222 VanDerWaalsContact CZ-CD1 3.43Å; F177-I222 HydrophobicContact CZ-CG1 3.61Å; I193-I222 HydrophobicContact CD1-CG2 3.5Å; I193-I222 HydrophobicContact CG2-CD1 4.29Å; M195-I222 HydrophobicContact CE-CD1 4.06Å; M195-I222 HydrophobicContact SD-CD1 3.65Å; N218-I222 VanDerWaalsContact O-CG1 3.31Å; N218-I222 WeakPolarHBondContact O-CG1 3.46Å; N218-I222 PolarHBondContact O-N 2.94Å; A219-I222 PolarHBondContact O-N 3.34Å; I222-A224 PolarHBondContact O-N 3.48Å; I222-C225 WeakPolarHBondContact O-CB 3.31Å; I222-C225 PolarHBondContact O-N 2.56Å; I222-F227 HydrophobicContact CG2-CD2 4.02Å; I222-F227 HydrophobicContact CG2-CE2 3.81Å; I222-F227 VanDerWaalsContact O-CD2 3.29Å; I222-F227 WeakPolarHBondContact O-CD2 3.44Å; I222-I234 HydrophobicContact CG2-CD1 4.05Å
223	I	98.7	Very high	98.3	Very high	14 Å²	14	23.3 Å²	23.3	7%	0.072	13%	0.133	C	C	.	.	H	α-helix	trans	-60.1	-38.9	176.7	-67.3	162.3	0	0	0	110.3	A219 C225 G226 I234 V452 I456 V457 F460	A219-I223 WeakPolarHBondContact O-CB 3.41Å; A219-I223 WeakPolarHBondContact O-CD1 3.47Å; A219-I223 WeakPolarHBondContact O-CG1 3.39Å; A219-I223 PolarHBondContact O-N 3.35Å; I223-C225 PolarHBondContact O-N 2.8Å; I223-C225 VanDerWaalsContact O-N 3.09Å; I223-G226 PolarHBondContact O-N 3.46Å; I223-I234 HydrophobicContact CD1-CD1 4.29Å; I223-I234 HydrophobicContact CG1-CD1 3.8Å; I223-V452 HydrophobicContact CB-CG1 4.14Å; I223-V452 HydrophobicContact CB-CG2 4.15Å; I223-V452 HydrophobicContact CD1-CG1 3.99Å; I223-V452 HydrophobicContact CG2-CB 4.48Å; I223-V452 HydrophobicContact CG2-CG1 3.92Å; I223-V452 HydrophobicContact CG2-CG2 3.66Å; I223-I456 HydrophobicContact CG2-CG2 4.1Å; I223-V457 HydrophobicContact CD1-CB 4.38Å; I223-V457 HydrophobicContact CD1-CG2 4.07Å; I223-F460 HydrophobicContact CB-CE2 4.39Å; I223-F460 HydrophobicContact CD1-CB 3.92Å; I223-F460 HydrophobicContact CD1-CD2 3.61Å; I223-F460 HydrophobicContact CD1-CE2 4.23Å; I223-F460 HydrophobicContact CD1-CG 3.78Å; I223-F460 HydrophobicContact CG1-CB 4.35Å; I223-F460 HydrophobicContact CG1-CD1 4.08Å; I223-F460 HydrophobicContact CG1-CD2 3.73Å; I223-F460 HydrophobicContact CG1-CE1 4.26Å; I223-F460 HydrophobicContact CG1-CE2 3.94Å; I223-F460 HydrophobicContact CG1-CG 3.8Å; I223-F460 HydrophobicContact CG1-CZ 4.2Å; I223-F460 HydrophobicContact CG2-CD2 4.09Å; I223-F460 HydrophobicContact CG2-CE2 3.57Å; I223-F460 HydrophobicContact CG2-CZ 3.96Å
224	A	98.4	Very high	98.3	Very high	2 Å²	2	20.6 Å²	20.6	2%	0.017	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-9.4	176	0	0	0	0	0	114.2	K220 D221 I222 G226 R448 R449	K220-A224 WeakPolarHBondContact O-CB 3.4Å; K220-A224 PolarHBondContact O-N 3.02Å; D221-A224 WeakPolarHBondContact O-CB 3.39Å; D221-A224 PolarHBondContact O-N 2.94Å; I222-A224 PolarHBondContact O-N 3.48Å; A224-G226 PolarHBondContact O-N 2.91Å; A224-R448 HydrophobicContact CB-CB 4.03Å; A224-R448 WeakPolarHBondContact O-CD 3.37Å; A224-R448 PolarHBondContact O-NE 3.48Å; A224-R449 HydrophobicContact CB-CB 3.87Å; A224-R449 HydrophobicContact CB-CG 4.48Å
225	C	98.4	Very high	98.4	Very high	21 Å²	21	18.9 Å²	18.9	14%	0.142	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-12.4	166.2	-64.2	0	0	0	0	113.2	D221 I222 I223 F227	D221-C225 PolarHBondContact O-N 2.89Å; I222-C225 WeakPolarHBondContact O-CB 3.31Å; I222-C225 PolarHBondContact O-N 2.56Å; I223-C225 PolarHBondContact O-N 2.8Å; I223-C225 VanDerWaalsContact O-N 3.09Å; C225-F227 HydrophobicContact CB-CD2 4.1Å; C225-F227 HydrophobicContact CB-CE2 3.88Å
226	G	98	Very high	98.4	Very high	39 Å²	39	18.9 Å²	18.9	40%	0.402	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	86	35.5	177.2	0	0	0	0	0	114.2	K181 I223 A224	K181-G226 VanDerWaalsContact CE-O 3.25Å; K181-G226 WeakPolarHBondContact CE-O 3.28Å; I223-G226 PolarHBondContact O-N 3.46Å; A224-G226 PolarHBondContact O-N 2.91Å
227	F	98.6	Very high	98.4	Very high	11 Å²	11	17.5 Å²	17.5	5%	0.048	10%	0.099	C	C	.	.			trans	-65.9	144.6	170.6	-72.2	-75.1	0	0	0	111.4	F177 T180 K181 L191 I193 I222 C225 I229 T232 F460	F177-F227 HydrophobicContact CB-CE2 4.1Å; F177-F227 HydrophobicContact CB-CZ 4.08Å; F177-F227 HydrophobicContact CD1-CE2 4.07Å; F177-F227 HydrophobicContact CD1-CZ 4.07Å; F177-F227 HydrophobicContact CG-CE2 4.47Å; F177-F227 VanDerWaalsContact O-CZ 3.31Å; F177-F227 WeakPolarHBondContact O-CZ 3.45Å; T180-F227 HydrophobicContact CG2-CE1 4.13Å; T180-F227 HydrophobicContact CG2-CZ 4.48Å; K181-F227 VanDerWaalsContact CA-CE1 3.43Å; K181-F227 HydrophobicContact CB-CD1 3.97Å; K181-F227 HydrophobicContact CB-CE1 3.54Å; K181-F227 HydrophobicContact CB-CZ 3.9Å; K181-F227 HydrophobicContact CG-CD1 4.06Å; K181-F227 HydrophobicContact CG-CE1 4.16Å; L191-F227 HydrophobicContact CD2-CD1 3.39Å; L191-F227 HydrophobicContact CD2-CE1 3.23Å; L191-F227 HydrophobicContact CD2-CG 4.27Å; L191-F227 HydrophobicContact CD2-CZ 4.02Å; I193-F227 HydrophobicContact CD1-CD2 4.35Å; I193-F227 HydrophobicContact CD1-CE2 4.15Å; I193-F227 HydrophobicContact CD1-CZ 4.34Å; I222-F227 HydrophobicContact CG2-CD2 4.02Å; I222-F227 HydrophobicContact CG2-CE2 3.81Å; I222-F227 VanDerWaalsContact O-CD2 3.29Å; I222-F227 WeakPolarHBondContact O-CD2 3.44Å; C225-F227 HydrophobicContact CB-CD2 4.1Å; C225-F227 HydrophobicContact CB-CE2 3.88Å; F227-I229 PolarHBondContact O-N 2.76Å; F227-T232 HydrophobicContact CB-CG2 4.18Å; F227-T232 HydrophobicContact CG-CG2 4.46Å; F227-F460 HydrophobicContact CB-CE1 4.34Å
228	D	97.7	Very high	98.4	Very high	48 Å²	48	18.3 Å²	18.3	26%	0.257	10%	0.104	S	C	.	.			trans	-73	117.6	176.1	-177.3	-7.6	0	0	0	109.7	N230 K231 T232	D228-N230 PolarHBondContact O-N 3.17Å; D228-N230 WeakPolarHBondContact OD1-CB 3.47Å; D228-N230 PolarHBondContact OD1-N 3.3Å; D228-N230 PolarHBondContact OD1-ND2 2.61Å; D228-K231 HydrophobicContact CB-CB 4.24Å; D228-K231 HydrophobicContact CB-CD 4.34Å; D228-K231 HydrophobicContact CB-CG 4.39Å; D228-K231 CarbonylContact O-C 3.45Å; D228-K231 PolarHBondContact O-N 3.24Å; D228-K231 WeakPolarHBondContact OD2-CD 3.42Å; D228-K231 WeakPolarHBondContact OD2-CE 3.38Å; D228-K231 IonicContact OD2-NZ 2.74Å; D228-K231 PolarHBondContact OD2-NZ 3.45Å; D228-T232 VanDerWaalsContact O-CB 3.26Å; D228-T232 WeakPolarHBondContact O-CB 3.27Å; D228-T232 PolarHBondContact O-N 2.86Å; D228-T232 PolarHBondContact O-OG1 2.84Å
229	I	98	Very high	98.4	Very high	34 Å²	34	21.5 Å²	21.5	17%	0.174	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-30.3	177.7	-164.9	166.2	0	0	0	112	F227 K231 E459 F460 R464	F227-I229 PolarHBondContact O-N 2.76Å; I229-K231 PolarHBondContact O-N 2.83Å; I229-E459 HydrophobicContact CD1-CB 3.97Å; I229-E459 HydrophobicContact CD1-CG 3.64Å; I229-E459 WeakPolarHBondContact CD1-OE2 3.42Å; I229-E459 HydrophobicContact CG1-CG 4.3Å; I229-F460 HydrophobicContact CB-CD2 4.37Å; I229-F460 HydrophobicContact CB-CE1 4.13Å; I229-F460 HydrophobicContact CB-CE2 3.7Å; I229-F460 HydrophobicContact CB-CZ 3.57Å; I229-F460 HydrophobicContact CD1-CD2 3.69Å; I229-F460 HydrophobicContact CD1-CE2 3.62Å; I229-F460 HydrophobicContact CD1-CG 4.47Å; I229-F460 HydrophobicContact CD1-CZ 4.36Å; I229-F460 HydrophobicContact CG1-CD1 4.37Å; I229-F460 HydrophobicContact CG1-CD2 3.76Å; I229-F460 HydrophobicContact CG1-CE1 4.24Å; I229-F460 HydrophobicContact CG1-CE2 3.59Å; I229-F460 HydrophobicContact CG1-CG 4.16Å; I229-F460 HydrophobicContact CG1-CZ 3.86Å; I229-R464 PolarHBondContact O-NH2 3.02Å
230	N	97.8	Very high	98.4	Very high	79 Å²	79	21.7 Å²	21.7	42%	0.422	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-11.7	179.6	-64.2	-61.9	0	0	0	112.6	D228 L466 S467	D228-N230 PolarHBondContact O-N 3.17Å; D228-N230 WeakPolarHBondContact OD1-CB 3.47Å; D228-N230 PolarHBondContact OD1-N 3.3Å; D228-N230 PolarHBondContact OD1-ND2 2.61Å; N230-L466 CarbonylContact O-C 3.59Å; N230-L466 WeakPolarHBondContact O-CA 3.47Å; N230-L466 WeakPolarHBondContact O-CB 3.46Å; N230-S467 PolarHBondContact O-N 2.8Å
231	K	98.3	Very high	98.4	Very high	40 Å²	40	22.7 Å²	22.7	17%	0.174	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123	2.2	-177.1	-60.7	177.2	-166.3	160.4	0	113.3	Q184 N188 P190 L191 D228 I229	Q184-K231 PolarHBondContact NE2-O 2.92Å; N188-K231 WeakPolarHBondContact OD1-CE 3.2Å; N188-K231 PolarHBondContact OD1-NZ 3.08Å; P190-K231 CarbonylContact C-O 3.52Å; P190-K231 WeakPolarHBondContact CA-O 3.44Å; L191-K231 PolarHBondContact N-O 3.08Å; D228-K231 HydrophobicContact CB-CB 4.24Å; D228-K231 HydrophobicContact CB-CD 4.34Å; D228-K231 HydrophobicContact CB-CG 4.39Å; D228-K231 CarbonylContact O-C 3.45Å; D228-K231 PolarHBondContact O-N 3.24Å; D228-K231 WeakPolarHBondContact OD2-CD 3.42Å; D228-K231 WeakPolarHBondContact OD2-CE 3.38Å; D228-K231 IonicContact OD2-NZ 2.74Å; D228-K231 PolarHBondContact OD2-NZ 3.45Å; I229-K231 PolarHBondContact O-N 2.83Å
232	T	98.8	Very high	98.3	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	127.3	-172.2	-51.6	0	0	0	0	111.3	Q184 L191 I193 F227 D228 I234 F460 R464	Q184-T232 PolarHBondContact NE2-OG1 2.81Å; Q184-T232 PolarHBondContact OE1-OG1 3.02Å; L191-T232 HydrophobicContact CB-CG2 4.46Å; L191-T232 HydrophobicContact CD2-CG2 4Å; L191-T232 HydrophobicContact CG-CG2 4.19Å; L191-T232 WeakPolarHBondContact O-CA 3.45Å; I193-T232 HydrophobicContact CD1-CG2 3.94Å; I193-T232 HydrophobicContact CG1-CG2 4.27Å; F227-T232 HydrophobicContact CB-CG2 4.18Å; F227-T232 HydrophobicContact CG-CG2 4.46Å; D228-T232 VanDerWaalsContact O-CB 3.26Å; D228-T232 WeakPolarHBondContact O-CB 3.27Å; D228-T232 PolarHBondContact O-N 2.86Å; D228-T232 PolarHBondContact O-OG1 2.84Å; T232-I234 HydrophobicContact CG2-CG1 4.24Å; T232-F460 HydrophobicContact CG2-CD1 4.13Å; T232-F460 HydrophobicContact CG2-CE1 4.08Å; T232-R464 PolarHBondContact O-NH2 2.87Å
233	F	98.8	Very high	98.2	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	118.8	171.5	173.3	-123.8	0	0	0	109.3	L191 V192 I193 F235 Y240 F293 I296 P463 L466	L191-F233 PolarHBondContact O-N 3.19Å; V192-F233 CarbonylContact C-O 3.59Å; V192-F233 VanDerWaalsContact CA-O 3.28Å; V192-F233 WeakPolarHBondContact CA-O 3.44Å; V192-F233 HydrophobicContact CG1-CB 4.49Å; V192-F233 HydrophobicContact CG1-CD1 4.32Å; I193-F233 PolarHBondContact N-O 3.32Å; F233-F235 HydrophobicContact CD1-CD1 4.13Å; F233-F235 HydrophobicContact CE1-CB 3.78Å; F233-F235 AromaticContact CE1-CD1 3.83Å; F233-F235 HydrophobicContact CE1-CD1 3.83Å; F233-F235 HydrophobicContact CE1-CG 4.05Å; F233-F235 HydrophobicContact CE2-CB 4.27Å; F233-F235 HydrophobicContact CZ-CB 3.59Å; F233-F235 HydrophobicContact CZ-CD1 4.5Å; F233-F235 HydrophobicContact CZ-CG 4.35Å; F233-Y240 HydrophobicContact CE1-CD2 4.11Å; F233-Y240 HydrophobicContact CE1-CE1 4.41Å; F233-Y240 AromaticContact CE1-CE2 3.7Å; F233-Y240 HydrophobicContact CE1-CE2 3.7Å; F233-Y240 AromaticContact CE1-CZ 3.87Å; F233-Y240 AromaticContact CZ-CD2 3.78Å; F233-Y240 HydrophobicContact CZ-CD2 3.78Å; F233-Y240 AromaticContact CZ-CE2 3.64Å; F233-Y240 HydrophobicContact CZ-CE2 3.64Å; F233-F293 AromaticContact CD1-CD1 3.97Å; F233-F293 HydrophobicContact CD1-CD1 3.97Å; F233-F293 HydrophobicContact CD1-CE1 4.27Å; F233-F293 AromaticContact CE1-CD1 3.91Å; F233-F293 HydrophobicContact CE1-CD1 3.91Å; F233-F293 HydrophobicContact CE1-CE1 4.16Å; F233-I296 HydrophobicContact CB-CD1 4.05Å; F233-I296 HydrophobicContact CD1-CD1 4.22Å; F233-I296 HydrophobicContact CG-CD1 4.45Å; F233-P463 HydrophobicContact CE2-CB 4.29Å; F233-P463 HydrophobicContact CE2-CG 4.02Å; F233-P463 HydrophobicContact CZ-CB 4.19Å; F233-P463 HydrophobicContact CZ-CG 3.83Å; F233-L466 HydrophobicContact CB-CD1 4.45Å
234	I	98.9	Very high	98.2	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	142.5	174.5	-51.4	-176.1	0	0	0	107.1	I193 M195 A219 I222 I223 T232 F460 M461	I193-I234 HydrophobicContact CB-CB 4.43Å; I193-I234 HydrophobicContact CB-CG1 4.11Å; I193-I234 HydrophobicContact CB-CG2 4.3Å; I193-I234 HydrophobicContact CD1-CD1 4.43Å; I193-I234 HydrophobicContact CD1-CG1 4.21Å; I193-I234 HydrophobicContact CG1-CG1 4.44Å; I193-I234 HydrophobicContact CG2-CG2 4.45Å; I193-I234 CarbonylContact O-C 3.49Å; I193-I234 WeakPolarHBondContact O-CA 3.31Å; M195-I234 HydrophobicContact CG-CG2 3.7Å; M195-I234 HydrophobicContact SD-CG2 4.13Å; A219-I234 HydrophobicContact CB-CG2 4.38Å; I222-I234 HydrophobicContact CG2-CD1 4.05Å; I223-I234 HydrophobicContact CD1-CD1 4.29Å; I223-I234 HydrophobicContact CG1-CD1 3.8Å; T232-I234 HydrophobicContact CG2-CG1 4.24Å; I234-F460 HydrophobicContact CD1-CB 4.21Å; I234-F460 HydrophobicContact CD1-CD1 4.05Å; I234-F460 HydrophobicContact CD1-CG 4.38Å; I234-F460 HydrophobicContact CG1-CB 4.3Å; I234-F460 HydrophobicContact CG1-CD1 4.18Å; I234-F460 PolarHBondContact N-O 3.34Å; I234-F460 VanDerWaalsContact N-O 3.08Å; I234-M461 HydrophobicContact CB-CG 4.1Å; I234-M461 HydrophobicContact CG2-CG 4.29Å; I234-M461 VanDerWaalsContact O-CA 3.23Å; I234-M461 WeakPolarHBondContact O-CA 3.42Å
235	F	98.8	Very high	98.1	Very high	3 Å²	3	35.3 Å²	35.3	1%	0.013	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	142.3	176.9	66.2	-84.2	0	0	0	112.2	V192 I193 Q194 M195 F233 D237 Y240 F247 P287 F293	V192-F235 HydrophobicContact CB-CE1 4.36Å; I193-F235 WeakPolarHBondContact O-CD1 3.4Å; I193-F235 PolarHBondContact O-N 3.39Å; Q194-F235 HydrophobicContact CB-CE1 3.94Å; Q194-F235 HydrophobicContact CB-CE2 4.02Å; Q194-F235 HydrophobicContact CB-CZ 3.46Å; Q194-F235 VanDerWaalsContact CB-CZ 3.46Å; Q194-F235 HydrophobicContact CG-CE1 4.46Å; Q194-F235 HydrophobicContact CG-CE2 3.62Å; Q194-F235 HydrophobicContact CG-CZ 3.56Å; M195-F235 WeakPolarHBondContact CB-O 3.2Å; M195-F235 PolarHBondContact N-O 2.95Å; F233-F235 HydrophobicContact CD1-CD1 4.13Å; F233-F235 HydrophobicContact CE1-CB 3.78Å; F233-F235 AromaticContact CE1-CD1 3.83Å; F233-F235 HydrophobicContact CE1-CD1 3.83Å; F233-F235 HydrophobicContact CE1-CG 4.05Å; F233-F235 HydrophobicContact CE2-CB 4.27Å; F233-F235 HydrophobicContact CZ-CB 3.59Å; F233-F235 HydrophobicContact CZ-CD1 4.5Å; F233-F235 HydrophobicContact CZ-CG 4.35Å; F235-D237 WeakPolarHBondContact CE2-OD1 3.31Å; F235-Y240 HydrophobicContact CB-CD1 4.5Å; F235-Y240 HydrophobicContact CB-CD2 4.39Å; F235-Y240 HydrophobicContact CB-CG 4.04Å; F235-Y240 AromaticContact CD2-CD1 3.63Å; F235-Y240 HydrophobicContact CD2-CD1 3.63Å; F235-Y240 AromaticContact CD2-CG 3.82Å; F235-Y240 HydrophobicContact CD2-CG 3.82Å; F235-Y240 AromaticContact CE2-CD1 3.99Å; F235-Y240 HydrophobicContact CE2-CD1 3.99Å; F235-Y240 HydrophobicContact CG-CD1 4.05Å; F235-Y240 HydrophobicContact CG-CG 4.07Å; F235-F247 HydrophobicContact CE2-CE2 4.05Å; F235-F247 HydrophobicContact CE2-CZ 4.1Å; F235-F247 HydrophobicContact CZ-CE2 4.35Å; F235-P287 HydrophobicContact CZ-CB 4.35Å; F235-P287 HydrophobicContact CZ-CG 3.71Å; F235-F293 AromaticContact CD1-CE1 3.98Å; F235-F293 HydrophobicContact CD1-CE1 3.98Å; F235-F293 AromaticContact CE1-CE1 3.58Å; F235-F293 HydrophobicContact CE1-CE1 3.58Å; F235-F293 AromaticContact CE1-CZ 3.83Å; F235-F293 HydrophobicContact CE1-CZ 3.83Å; F235-F293 HydrophobicContact CZ-CE1 4.03Å; F235-F293 HydrophobicContact CZ-CZ 4.09Å
236	S	98.8	Very high	98	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.007	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	137	166.2	155.8	0	0	0	0	109	D197 L238 D239 Y240	D197-S236 VanDerWaalsContact CG-OG 3.28Å; D197-S236 PolarHBondContact OD1-OG 3.29Å; D197-S236 VanDerWaalsContact OD2-CB 3.31Å; D197-S236 WeakPolarHBondContact OD2-CB 3.46Å; D197-S236 PolarHBondContact OD2-OG 2.99Å; S236-L238 VanDerWaalsContact C-N 3.3Å; S236-L238 PolarHBondContact OG-N 3.39Å; S236-D239 PolarHBondContact O-N 3.42Å; S236-D239 PolarHBondContact OG-N 2.77Å; S236-Y240 WeakPolarHBondContact O-CB 3.13Å; S236-Y240 PolarHBondContact O-N 3.08Å
237	D	98.8	Very high	98.1	Very high	2 Å²	2	33 Å²	33	1%	0.011	20%	0.196	C	C	.	.	H	α-helix	trans	-65.3	-37.6	174.5	-79.5	-25.5	0	0	0	111.2	Q194 M195 T196 D197 D198 F235 D239 M241 I283	Q194-D237 WeakPolarHBondContact CG-OD1 3.29Å; Q194-D237 PolarHBondContact NE2-OD1 2.93Å; Q194-D237 PolarHBondContact NE2-OD2 3.34Å; M195-D237 PolarHBondContact O-N 2.84Å; M195-D237 VanDerWaalsContact O-N 3.09Å; T196-D237 WeakPolarHBondContact CA-OD2 3.41Å; T196-D237 WeakPolarHBondContact CG2-OD2 3.4Å; D197-D237 PolarHBondContact OD1-N 3.4Å; D198-D237 HydrophobicContact CB-CB 4.28Å; D198-D237 VanDerWaalsContact CG-CB 3.47Å; D198-D237 WeakPolarHBondContact OD1-CB 3.36Å; F235-D237 WeakPolarHBondContact CE2-OD1 3.31Å; D237-D239 VanDerWaalsContact C-N 3.29Å; D237-D239 PolarHBondContact O-N 2.99Å; D237-M241 VanDerWaalsContact O-CB 3.24Å; D237-M241 WeakPolarHBondContact O-CB 3.26Å; D237-M241 PolarHBondContact O-N 2.83Å; D237-I283 HydrophobicContact CB-CG2 4.39Å
238	L	98	Very high	98.1	Very high	63 Å²	63	38.5 Å²	38.5	33%	0.33	22%	0.218	S	C	.	.	H	α-helix	trans	-58.5	-38.5	176.4	-66.3	174.9	0	0	0	112.7	D197 D198 L208 S236	D197-L238 HydrophobicContact CB-CD1 4.19Å; D197-L238 PolarHBondContact OD1-N 2.82Å; D198-L238 HydrophobicContact CB-CD2 3.84Å; D198-L238 HydrophobicContact CB-CG 4.24Å; L208-L238 HydrophobicContact CD2-CD1 4.07Å; L208-L238 HydrophobicContact CD2-CD2 3.84Å; S236-L238 VanDerWaalsContact C-N 3.3Å; S236-L238 PolarHBondContact OG-N 3.39Å
239	D	98	Very high	98.1	Very high	68 Å²	68	42.3 Å²	42.3	36%	0.364	23%	0.232	S	C	.	.	H	α-helix	trans	-84.3	-53.2	177.5	-81.9	-16.8	0	0	0	112.4	Y212 S236 D237 M241 G242 M243	Y212-D239 WeakPolarHBondContact CE2-OD2 3.37Å; Y212-D239 VanDerWaalsContact CZ-OD2 3.28Å; Y212-D239 PolarHBondContact OH-OD2 3.17Å; S236-D239 PolarHBondContact O-N 3.42Å; S236-D239 PolarHBondContact OG-N 2.77Å; D237-D239 VanDerWaalsContact C-N 3.29Å; D237-D239 PolarHBondContact O-N 2.99Å; D239-M241 VanDerWaalsContact C-N 3.28Å; D239-M241 PolarHBondContact O-N 3.36Å; D239-G242 PolarHBondContact O-N 3.09Å; D239-M243 HydrophobicContact CB-SD 4.21Å; D239-M243 WeakPolarHBondContact O-CG 3.05Å; D239-M243 PolarHBondContact O-N 2.73Å
240	Y	98.6	Very high	98.1	Very high	4 Å²	4	40.7 Å²	40.7	2%	0.016	22%	0.224	C	C	.	.	H	α-helix	trans	-70.7	-26.8	-164.3	-167.1	-116.1	0	0	0	113.1	F233 F235 S236 G242 M243 S244 F247 S292 F293 Q295 P463	F233-Y240 HydrophobicContact CE1-CD2 4.11Å; F233-Y240 HydrophobicContact CE1-CE1 4.41Å; F233-Y240 AromaticContact CE1-CE2 3.7Å; F233-Y240 HydrophobicContact CE1-CE2 3.7Å; F233-Y240 AromaticContact CE1-CZ 3.87Å; F233-Y240 AromaticContact CZ-CD2 3.78Å; F233-Y240 HydrophobicContact CZ-CD2 3.78Å; F233-Y240 AromaticContact CZ-CE2 3.64Å; F233-Y240 HydrophobicContact CZ-CE2 3.64Å; F235-Y240 HydrophobicContact CB-CD1 4.5Å; F235-Y240 HydrophobicContact CB-CD2 4.39Å; F235-Y240 HydrophobicContact CB-CG 4.04Å; F235-Y240 AromaticContact CD2-CD1 3.63Å; F235-Y240 HydrophobicContact CD2-CD1 3.63Å; F235-Y240 AromaticContact CD2-CG 3.82Å; F235-Y240 HydrophobicContact CD2-CG 3.82Å; F235-Y240 AromaticContact CE2-CD1 3.99Å; F235-Y240 HydrophobicContact CE2-CD1 3.99Å; F235-Y240 HydrophobicContact CG-CD1 4.05Å; F235-Y240 HydrophobicContact CG-CG 4.07Å; S236-Y240 WeakPolarHBondContact O-CB 3.13Å; S236-Y240 PolarHBondContact O-N 3.08Å; Y240-G242 PolarHBondContact O-N 2.65Å; Y240-M243 HydrophobicContact CD2-CB 4.4Å; Y240-M243 PolarHBondContact O-N 3.34Å; Y240-S244 PolarHBondContact O-N 2.96Å; Y240-S244 PolarHBondContact OH-OG 3.12Å; Y240-F247 HydrophobicContact CD1-CB 3.99Å; Y240-F247 HydrophobicContact CD1-CD1 4.12Å; Y240-F247 AromaticContact CD1-CD2 3.93Å; Y240-F247 HydrophobicContact CD1-CD2 3.93Å; Y240-F247 HydrophobicContact CD1-CE2 4.43Å; Y240-F247 AromaticContact CD1-CG 3.76Å; Y240-F247 HydrophobicContact CD1-CG 3.76Å; Y240-F247 HydrophobicContact CE1-CB 3.71Å; Y240-F247 AromaticContact CE1-CD2 3.89Å; Y240-F247 HydrophobicContact CE1-CD2 3.89Å; Y240-F247 AromaticContact CE1-CG 3.85Å; Y240-F247 HydrophobicContact CE1-CG 3.85Å; Y240-S292 PolarHBondContact OH-O 2.94Å; Y240-F293 AromaticContact CE1-CD1 3.76Å; Y240-F293 HydrophobicContact CE1-CD1 3.76Å; Y240-F293 AromaticContact CE1-CE1 3.7Å; Y240-F293 HydrophobicContact CE1-CE1 3.7Å; Y240-F293 AromaticContact CZ-CD1 3.74Å; Y240-F293 WeakPolarHBondContact OH-CA 3.07Å; Y240-F293 VanDerWaalsContact OH-CD1 3.28Å; Y240-F293 WeakPolarHBondContact OH-CD1 3.46Å; Y240-Q295 PolarHBondContact OH-NE2 3.42Å; Y240-Q295 PolarHBondContact OH-OE1 3.38Å; Y240-Q295 VanDerWaalsContact OH-OE1 3.12Å; Y240-P463 HydrophobicContact CD2-CG 4.07Å; Y240-P463 HydrophobicContact CE2-CB 4.32Å; Y240-P463 HydrophobicContact CE2-CG 3.93Å
241	M	97.9	Very high	98.2	Very high	46 Å²	46	37 Å²	37	23%	0.227	20%	0.204	C	C	.	.	H	α-helix	trans	-55.5	-40.1	171.4	-169.3	70.4	78.7	0	0	112.1	D237 D239 F247 Y248 V251 I283	D237-M241 VanDerWaalsContact O-CB 3.24Å; D237-M241 WeakPolarHBondContact O-CB 3.26Å; D237-M241 PolarHBondContact O-N 2.83Å; D239-M241 VanDerWaalsContact C-N 3.28Å; D239-M241 PolarHBondContact O-N 3.36Å; M241-F247 HydrophobicContact CB-CE1 4.48Å; M241-F247 HydrophobicContact CE-CD1 4.25Å; M241-F247 HydrophobicContact CE-CE1 3.67Å; M241-F247 HydrophobicContact SD-CD1 3.72Å; M241-F247 HydrophobicContact SD-CE1 3.77Å; M241-Y248 HydrophobicContact CG-CD2 4.37Å; M241-Y248 HydrophobicContact SD-CD2 3.49Å; M241-Y248 WeakPolarHBondContact SD-CD2 3.4Å; M241-Y248 HydrophobicContact SD-CE2 4.38Å; M241-Y248 HydrophobicContact SD-CG 4.16Å; M241-V251 HydrophobicContact CE-CG1 4.44Å; M241-V251 HydrophobicContact CE-CG2 4.08Å; M241-V251 HydrophobicContact SD-CG2 4.2Å; M241-I283 HydrophobicContact CE-CB 4.4Å; M241-I283 HydrophobicContact CE-CD1 3.73Å; M241-I283 HydrophobicContact CE-CG1 3.78Å; M241-I283 HydrophobicContact CE-CG2 3.83Å
242	G	96	Very high	98.2	Very high	75 Å²	75	38.1 Å²	38.1	77%	0.773	21%	0.214	S	C	*	.	H	α-helix	trans	-81	-27.3	177.1	0	0	0	0	0	113.9	D239 Y240	D239-G242 PolarHBondContact O-N 3.09Å; Y240-G242 PolarHBondContact O-N 2.65Å
243	M	97.1	Very high	98.2	Very high	119 Å²	119	42.1 Å²	42.1	59%	0.586	23%	0.232	S	C	*	.	H	α-helix	trans	-85.4	-31.2	-175.6	-63	174.2	81.7	0	0	113.9	D239 Y240 P463	D239-M243 HydrophobicContact CB-SD 4.21Å; D239-M243 WeakPolarHBondContact O-CG 3.05Å; D239-M243 PolarHBondContact O-N 2.73Å; Y240-M243 HydrophobicContact CD2-CB 4.4Å; Y240-M243 PolarHBondContact O-N 3.34Å; M243-P463 HydrophobicContact CE-CG 3.68Å; M243-P463 HydrophobicContact SD-CG 4.31Å
244	S	97.8	Very high	98.2	Very high	7 Å²	7	42.1 Å²	42.1	5%	0.049	23%	0.232	C	C	.	.			trans	-116.6	106.1	-174.3	-180	0	0	0	0	112.5	Y240 G246 F247 Y248 S292	Y240-S244 PolarHBondContact O-N 2.96Å; Y240-S244 PolarHBondContact OH-OG 3.12Å; S244-G246 PolarHBondContact O-N 3.31Å; S244-G246 PolarHBondContact OG-N 3.14Å; S244-F247 WeakPolarHBondContact O-CB 3.47Å; S244-F247 PolarHBondContact O-N 3.28Å; S244-F247 PolarHBondContact OG-N 3.23Å; S244-Y248 PolarHBondContact O-N 3.02Å; S244-S292 PolarHBondContact OG-O 3.24Å; S244-S292 VanDerWaalsContact OG-O 3.08Å
245	S	96.1	Very high	98.2	Very high	81 Å²	81	45.4 Å²	45.4	57%	0.566	25%	0.247	S	C	*	.	H	α-helix	trans	-61.8	-27.7	171.4	72.7	0	0	0	0	112.9	K249	S245-K249 VanDerWaalsContact O-CB 3.3Å; S245-K249 WeakPolarHBondContact O-CB 3.18Å; S245-K249 WeakPolarHBondContact O-CD 3.39Å; S245-K249 WeakPolarHBondContact O-CG 3.37Å; S245-K249 PolarHBondContact O-N 3.06Å
246	G	97.8	Very high	98.2	Very high	10 Å²	10	53.4 Å²	53.4	10%	0.103	28%	0.282	C	S	.	.	H	α-helix	trans	-65.8	-44.3	176.1	0	0	0	0	0	111.7	S244 K249 N250 N291	S244-G246 PolarHBondContact O-N 3.31Å; S244-G246 PolarHBondContact OG-N 3.14Å; G246-K249 PolarHBondContact O-N 3.41Å; G246-N250 PolarHBondContact O-N 3.49Å; G246-N250 VanDerWaalsContact O-N 3.16Å; G246-N291 WeakPolarHBondContact CA-O 3.46Å
247	F	98.7	Very high	98.1	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-59.8	-56	176.1	-174.3	-106.7	0	0	0	111.1	F235 Y240 M241 S244 K249 N250 V251 I283 A286 P287	F235-F247 HydrophobicContact CE2-CE2 4.05Å; F235-F247 HydrophobicContact CE2-CZ 4.1Å; F235-F247 HydrophobicContact CZ-CE2 4.35Å; Y240-F247 HydrophobicContact CD1-CB 3.99Å; Y240-F247 HydrophobicContact CD1-CD1 4.12Å; Y240-F247 AromaticContact CD1-CD2 3.93Å; Y240-F247 HydrophobicContact CD1-CD2 3.93Å; Y240-F247 HydrophobicContact CD1-CE2 4.43Å; Y240-F247 AromaticContact CD1-CG 3.76Å; Y240-F247 HydrophobicContact CD1-CG 3.76Å; Y240-F247 HydrophobicContact CE1-CB 3.71Å; Y240-F247 AromaticContact CE1-CD2 3.89Å; Y240-F247 HydrophobicContact CE1-CD2 3.89Å; Y240-F247 AromaticContact CE1-CG 3.85Å; Y240-F247 HydrophobicContact CE1-CG 3.85Å; M241-F247 HydrophobicContact CB-CE1 4.48Å; M241-F247 HydrophobicContact CE-CD1 4.25Å; M241-F247 HydrophobicContact CE-CE1 3.67Å; M241-F247 HydrophobicContact SD-CD1 3.72Å; M241-F247 HydrophobicContact SD-CE1 3.77Å; S244-F247 WeakPolarHBondContact O-CB 3.47Å; S244-F247 PolarHBondContact O-N 3.28Å; S244-F247 PolarHBondContact OG-N 3.23Å; F247-K249 VanDerWaalsContact C-N 3.32Å; F247-K249 PolarHBondContact O-N 3.27Å; F247-N250 PolarHBondContact O-N 3.42Å; F247-V251 HydrophobicContact CD1-CG2 4.26Å; F247-V251 HydrophobicContact CE1-CG2 4.11Å; F247-V251 HydrophobicContact CZ-CG2 4.39Å; F247-V251 WeakPolarHBondContact O-CG2 3.25Å; F247-V251 PolarHBondContact O-N 2.89Å; F247-I283 HydrophobicContact CE1-CG2 4.2Å; F247-I283 HydrophobicContact CZ-CG2 3.96Å; F247-A286 HydrophobicContact CD2-CB 4.06Å; F247-A286 HydrophobicContact CE2-CB 3.75Å; F247-A286 HydrophobicContact CZ-CB 4.31Å; F247-P287 HydrophobicContact CE2-CG 3.91Å
248	Y	98.6	Very high	98.1	Very high	127 Å²	127	56.7 Å²	56.7	50%	0.498	30%	0.299	S	S	.	.	H	α-helix	trans	-63.1	-36	-178.5	-174.8	-127.3	0	0	0	113.2	M241 S244 N250 V251 V252	M241-Y248 HydrophobicContact CG-CD2 4.37Å; M241-Y248 HydrophobicContact SD-CD2 3.49Å; M241-Y248 WeakPolarHBondContact SD-CD2 3.4Å; M241-Y248 HydrophobicContact SD-CE2 4.38Å; M241-Y248 HydrophobicContact SD-CG 4.16Å; S244-Y248 PolarHBondContact O-N 3.02Å; Y248-N250 VanDerWaalsContact C-N 3.3Å; Y248-N250 PolarHBondContact O-N 3.42Å; Y248-V251 HydrophobicContact CD2-CB 4.36Å; Y248-V251 WeakPolarHBondContact O-CB 3.41Å; Y248-V251 PolarHBondContact O-N 3.33Å; Y248-V252 HydrophobicContact CD1-CG2 4.45Å; Y248-V252 HydrophobicContact CD2-CG2 4.12Å; Y248-V252 HydrophobicContact CE1-CG2 4.06Å; Y248-V252 HydrophobicContact CE2-CG2 3.7Å; Y248-V252 HydrophobicContact CG-CG2 4.49Å; Y248-V252 WeakPolarHBondContact O-CG2 3.37Å; Y248-V252 PolarHBondContact O-N 2.76Å
249	K	98.6	Very high	98	Very high	129 Å²	129	57.4 Å²	57.4	56%	0.561	31%	0.305	S	S	*	.	H	α-helix	trans	-58.5	-42	173.2	-79.2	168.4	-174.3	171	0	111.9	S245 G246 F247 K253	S245-K249 VanDerWaalsContact O-CB 3.3Å; S245-K249 WeakPolarHBondContact O-CB 3.18Å; S245-K249 WeakPolarHBondContact O-CD 3.39Å; S245-K249 WeakPolarHBondContact O-CG 3.37Å; S245-K249 PolarHBondContact O-N 3.06Å; G246-K249 PolarHBondContact O-N 3.41Å; F247-K249 VanDerWaalsContact C-N 3.32Å; F247-K249 PolarHBondContact O-N 3.27Å; K249-K253 WeakPolarHBondContact O-CB 3.4Å; K249-K253 VanDerWaalsContact O-CG 3.29Å; K249-K253 WeakPolarHBondContact O-CG 3.44Å; K249-K253 PolarHBondContact O-N 2.99Å
250	N	98.7	Very high	97.8	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-70.3	-40.3	177.4	-76.1	-20.1	0	0	0	111.7	G246 F247 Y248 V252 K253 I254 A286 N291 S292 Y329	G246-N250 PolarHBondContact O-N 3.49Å; G246-N250 VanDerWaalsContact O-N 3.16Å; F247-N250 PolarHBondContact O-N 3.42Å; Y248-N250 VanDerWaalsContact C-N 3.3Å; Y248-N250 PolarHBondContact O-N 3.42Å; N250-V252 PolarHBondContact O-N 3.41Å; N250-K253 WeakPolarHBondContact O-CB 3.29Å; N250-K253 PolarHBondContact O-N 2.99Å; N250-I254 VanDerWaalsContact O-CD1 3.24Å; N250-I254 WeakPolarHBondContact O-CD1 3.46Å; N250-I254 WeakPolarHBondContact O-CG1 3.12Å; N250-I254 PolarHBondContact O-N 2.97Å; N250-A286 HydrophobicContact CB-CB 4.32Å; N250-N291 PolarHBondContact ND2-OD1 2.78Å; N250-S292 PolarHBondContact ND2-N 3Å; N250-S292 PolarHBondContact ND2-OG 2.9Å; N250-Y329 VanDerWaalsContact OD1-CE2 3.29Å; N250-Y329 WeakPolarHBondContact OD1-CE2 3.03Å; N250-Y329 PolarHBondContact OD1-OH 2.88Å
251	V	98.8	Very high	97.7	Very high	1 Å²	1	63.6 Å²	63.6	1%	0.006	34%	0.335	C	S	.	.	H	α-helix	trans	-53.1	-52	172.1	174.4	0	0	0	0	110.8	M241 F247 Y248 K253 I254 Q255 A282 I283 A286	M241-V251 HydrophobicContact CE-CG1 4.44Å; M241-V251 HydrophobicContact CE-CG2 4.08Å; M241-V251 HydrophobicContact SD-CG2 4.2Å; F247-V251 HydrophobicContact CD1-CG2 4.26Å; F247-V251 HydrophobicContact CE1-CG2 4.11Å; F247-V251 HydrophobicContact CZ-CG2 4.39Å; F247-V251 WeakPolarHBondContact O-CG2 3.25Å; F247-V251 PolarHBondContact O-N 2.89Å; Y248-V251 HydrophobicContact CD2-CB 4.36Å; Y248-V251 WeakPolarHBondContact O-CB 3.41Å; Y248-V251 PolarHBondContact O-N 3.33Å; V251-K253 PolarHBondContact O-N 3.29Å; V251-I254 PolarHBondContact O-N 3.2Å; V251-I254 VanDerWaalsContact O-N 3.14Å; V251-Q255 HydrophobicContact CG1-CG 4.34Å; V251-Q255 WeakPolarHBondContact O-CG 3.43Å; V251-Q255 PolarHBondContact O-N 2.92Å; V251-A282 HydrophobicContact CG1-CB 4.35Å; V251-I283 HydrophobicContact CG1-CG1 4.06Å; V251-A286 HydrophobicContact CG2-CB 3.6Å
252	V	98.7	Very high	97.6	Very high	63 Å²	63	64.2 Å²	64.2	38%	0.382	34%	0.338	S	S	.	.	H	α-helix	trans	-65.3	-38.5	-179.5	175.9	0	0	0	0	112.2	Y248 N250 I254 Q255 K256	Y248-V252 HydrophobicContact CD1-CG2 4.45Å; Y248-V252 HydrophobicContact CD2-CG2 4.12Å; Y248-V252 HydrophobicContact CE1-CG2 4.06Å; Y248-V252 HydrophobicContact CE2-CG2 3.7Å; Y248-V252 HydrophobicContact CG-CG2 4.49Å; Y248-V252 WeakPolarHBondContact O-CG2 3.37Å; Y248-V252 PolarHBondContact O-N 2.76Å; N250-V252 PolarHBondContact O-N 3.41Å; V252-I254 VanDerWaalsContact C-N 3.29Å; V252-I254 PolarHBondContact O-N 3.43Å; V252-Q255 PolarHBondContact O-N 3.42Å; V252-K256 PolarHBondContact O-N 3.47Å; V252-K256 VanDerWaalsContact O-N 3.1Å
253	K	98.7	Very high	97.5	Very high	84 Å²	84	60.8 Å²	60.8	37%	0.365	30%	0.302	S	S	.	.	H	α-helix	trans	-58.5	-42.3	173.2	-78.5	178.4	-180	-168.9	0	111.3	K249 N250 V251 H257 I327 Y329	K249-K253 WeakPolarHBondContact O-CB 3.4Å; K249-K253 VanDerWaalsContact O-CG 3.29Å; K249-K253 WeakPolarHBondContact O-CG 3.44Å; K249-K253 PolarHBondContact O-N 2.99Å; N250-K253 WeakPolarHBondContact O-CB 3.29Å; N250-K253 PolarHBondContact O-N 2.99Å; V251-K253 PolarHBondContact O-N 3.29Å; K253-H257 PolarHBondContact O-CD2 3.08Å; K253-I327 HydrophobicContact CB-CG2 4.08Å; K253-Y329 PolarHBondContact NZ-OH 2.96Å
254	I	98.7	Very high	97.3	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-69.9	-47.5	179.6	-61.8	153.9	0	0	0	110.5	N250 V251 V252 K256 H257 V258 A282 A285 A286 F289 V323 I327	N250-I254 VanDerWaalsContact O-CD1 3.24Å; N250-I254 WeakPolarHBondContact O-CD1 3.46Å; N250-I254 WeakPolarHBondContact O-CG1 3.12Å; N250-I254 PolarHBondContact O-N 2.97Å; V251-I254 PolarHBondContact O-N 3.2Å; V251-I254 VanDerWaalsContact O-N 3.14Å; V252-I254 VanDerWaalsContact C-N 3.29Å; V252-I254 PolarHBondContact O-N 3.43Å; I254-K256 PolarHBondContact O-N 3.25Å; I254-H257 PolarHBondContact O-N 3.44Å; I254-V258 HydrophobicContact CG2-CG2 4.02Å; I254-V258 WeakPolarHBondContact O-CG2 3.39Å; I254-V258 PolarHBondContact O-N 3.27Å; I254-A282 HydrophobicContact CB-CB 4Å; I254-A282 HydrophobicContact CG2-CB 3.7Å; I254-A285 HydrophobicContact CD1-CB 3.92Å; I254-A285 HydrophobicContact CG2-CB 4.25Å; I254-A286 HydrophobicContact CD1-CB 4.02Å; I254-F289 HydrophobicContact CD1-CD2 4.07Å; I254-F289 HydrophobicContact CD1-CE2 3.69Å; I254-F289 HydrophobicContact CG1-CE2 3.97Å; I254-V323 HydrophobicContact CB-CG1 4.3Å; I254-V323 HydrophobicContact CG1-CG1 4.03Å; I254-V323 HydrophobicContact CG2-CG1 4.26Å; I254-V323 HydrophobicContact CG2-CG2 4.38Å; I254-I327 HydrophobicContact CG1-CD1 4.42Å
255	Q	98.5	Very high	97	Very high	71 Å²	71	61.1 Å²	61.1	33%	0.332	32%	0.319	S	S	.	.	H	α-helix	trans	-53.3	-39.1	177.5	-73.4	174.2	-15.9	0	0	112.3	V251 V252 H257 V258 A282	V251-Q255 HydrophobicContact CG1-CG 4.34Å; V251-Q255 WeakPolarHBondContact O-CG 3.43Å; V251-Q255 PolarHBondContact O-N 2.92Å; V252-Q255 PolarHBondContact O-N 3.42Å; Q255-H257 PolarHBondContact O-N 2.95Å; Q255-V258 PolarHBondContact O-N 3.41Å; Q255-A282 HydrophobicContact CB-CB 4.5Å; Q255-A282 HydrophobicContact CG-CB 3.47Å; Q255-A282 VanDerWaalsContact CG-CB 3.47Å
256	K	98.3	Very high	96.8	Very high	171 Å²	171	60 Å²	60	74%	0.743	31%	0.305	S	S	*	.	H	α-helix	trans	-60.5	-28.9	175.8	179.1	175.9	179.2	179.7	0	113.7	V252 I254	V252-K256 PolarHBondContact O-N 3.47Å; V252-K256 VanDerWaalsContact O-N 3.1Å; I254-K256 PolarHBondContact O-N 3.25Å
257	H	98.3	Very high	96.6	Very high	48 Å²	48	60 Å²	60	22%	0.222	30%	0.303	C	S	.	.	H	α-helix	trans	-106.1	1.4	-172.3	-69.7	-58.8	0	0	0	114.5	K253 I254 Q255 V323 R326 I327	K253-H257 PolarHBondContact O-CD2 3.08Å; I254-H257 PolarHBondContact O-N 3.44Å; Q255-H257 PolarHBondContact O-N 2.95Å; H257-V323 HydrophobicContact CB-CG1 4.15Å; H257-V323 HydrophobicContact CB-CG2 4.1Å; H257-R326 PolarHBondContact O-NH1 2.94Å; H257-I327 VanDerWaalsContact CD2-CG2 3.41Å; H257-I327 WeakPolarHBondContact CD2-CG2 3.38Å
258	V	97.5	Very high	96.2	Very high	24 Å²	24	62.6 Å²	62.6	15%	0.145	33%	0.33	C	S	.	.			trans	-114.8	107.1	176.8	179.2	0	0	0	0	108.3	I254 Q255 V263 M319 V323	I254-V258 HydrophobicContact CG2-CG2 4.02Å; I254-V258 WeakPolarHBondContact O-CG2 3.39Å; I254-V258 PolarHBondContact O-N 3.27Å; Q255-V258 PolarHBondContact O-N 3.41Å; V258-V263 HydrophobicContact CG1-CG1 3.36Å; V258-M319 HydrophobicContact CB-SD 4.36Å; V258-M319 HydrophobicContact CG1-CG 4.33Å; V258-M319 HydrophobicContact CG1-SD 3.67Å; V258-M319 HydrophobicContact CG2-CE 4.33Å; V258-M319 HydrophobicContact CG2-CG 3.84Å; V258-M319 HydrophobicContact CG2-SD 3.74Å; V258-V323 HydrophobicContact CG2-CG2 3.6Å
259	T	95.8	Very high	95.9	Very high	77 Å²	77	57 Å²	57	47%	0.472	31%	0.308	S	S	.	.			trans	-77.9	156.7	178.4	64.3	0	0	0	0	111.3	N261 Q262 V263	T259-N261 VanDerWaalsContact C-N 3.3Å; T259-N261 PolarHBondContact O-N 3.39Å; T259-Q262 WeakPolarHBondContact O-CB 3.41Å; T259-Q262 PolarHBondContact O-N 3.04Å; T259-Q262 VanDerWaalsContact OG1-CG 3.3Å; T259-Q262 WeakPolarHBondContact OG1-CG 3.36Å; T259-Q262 PolarHBondContact OG1-N 3.03Å; T259-Q262 PolarHBondContact OG1-OE1 3.31Å; T259-V263 PolarHBondContact O-N 3.32Å
260	F	95.1	Very high	95.7	Very high	76 Å²	76	52.7 Å²	52.7	33%	0.333	29%	0.293	S	S	.	.	H	α-helix	trans	-57	-43.2	175.9	-174.6	-130.2	0	0	0	112.1	Q262 V263 K264 D271 I278	F260-Q262 PolarHBondContact O-N 3.04Å; F260-V263 HydrophobicContact CD2-CG2 3.82Å; F260-V263 HydrophobicContact CE2-CG2 4.45Å; F260-V263 WeakPolarHBondContact O-CG2 3.36Å; F260-V263 PolarHBondContact O-N 3.21Å; F260-V263 VanDerWaalsContact O-N 3.12Å; F260-K264 HydrophobicContact CD1-CD 3.92Å; F260-K264 HydrophobicContact CD1-CG 4.34Å; F260-K264 HydrophobicContact CD2-CG 4.26Å; F260-K264 HydrophobicContact CE1-CD 3.58Å; F260-K264 HydrophobicContact CE1-CG 4.1Å; F260-K264 HydrophobicContact CE2-CD 4.37Å; F260-K264 HydrophobicContact CE2-CG 3.97Å; F260-K264 HydrophobicContact CG-CD 4.47Å; F260-K264 HydrophobicContact CG-CG 4.42Å; F260-K264 HydrophobicContact CZ-CD 3.82Å; F260-K264 HydrophobicContact CZ-CG 3.9Å; F260-K264 WeakPolarHBondContact O-CG 3.28Å; F260-K264 PolarHBondContact O-N 2.9Å; F260-D271 VanDerWaalsContact CE1-OD1 3.28Å; F260-D271 WeakPolarHBondContact CE1-OD1 3.42Å; F260-I278 HydrophobicContact CD2-CD1 4.34Å; F260-I278 HydrophobicContact CD2-CG2 3.71Å; F260-I278 HydrophobicContact CE2-CD1 3.6Å; F260-I278 HydrophobicContact CE2-CG1 3.96Å; F260-I278 HydrophobicContact CE2-CG2 3.96Å; F260-I278 HydrophobicContact CZ-CD1 4.24Å
261	N	95.7	Very high	95.3	Very high	127 Å²	127	58.6 Å²	58.6	68%	0.679	32%	0.324	S	S	*	.	H	α-helix	trans	-57.5	-35.7	176.1	-72.4	-11.5	0	0	0	113.1	T259 G265	T259-N261 VanDerWaalsContact C-N 3.3Å; T259-N261 PolarHBondContact O-N 3.39Å; N261-G265 PolarHBondContact O-N 3.33Å; N261-G265 VanDerWaalsContact O-N 3.12Å
262	Q	95	Very high	95.1	Very high	58 Å²	58	64.1 Å²	64.1	27%	0.271	36%	0.363	S	S	.	.	H	α-helix	trans	-67	-46.6	175.9	-73.1	168.2	-69.4	0	0	111.4	T259 F260 K264 G265 I266	T259-Q262 WeakPolarHBondContact O-CB 3.41Å; T259-Q262 PolarHBondContact O-N 3.04Å; T259-Q262 VanDerWaalsContact OG1-CG 3.3Å; T259-Q262 WeakPolarHBondContact OG1-CG 3.36Å; T259-Q262 PolarHBondContact OG1-N 3.03Å; T259-Q262 PolarHBondContact OG1-OE1 3.31Å; F260-Q262 PolarHBondContact O-N 3.04Å; Q262-K264 VanDerWaalsContact C-N 3.35Å; Q262-K264 PolarHBondContact O-N 2.9Å; Q262-G265 PolarHBondContact O-N 3.47Å; Q262-I266 HydrophobicContact CB-CD1 4.46Å; Q262-I266 WeakPolarHBondContact O-CB 3.28Å; Q262-I266 WeakPolarHBondContact O-CD1 3.23Å; Q262-I266 WeakPolarHBondContact O-CG1 3.36Å; Q262-I266 PolarHBondContact O-N 3.37Å
263	V	94.3	Very high	95	Very high	4 Å²	4	62.8 Å²	62.8	2%	0.024	35%	0.354	C	S	.	.	H	α-helix	trans	-69.1	-32.5	179.6	-63.1	0	0	0	0	112.5	V258 T259 F260 G265 I266 F267 F269 I278	V258-V263 HydrophobicContact CG1-CG1 3.36Å; T259-V263 PolarHBondContact O-N 3.32Å; F260-V263 HydrophobicContact CD2-CG2 3.82Å; F260-V263 HydrophobicContact CE2-CG2 4.45Å; F260-V263 WeakPolarHBondContact O-CG2 3.36Å; F260-V263 PolarHBondContact O-N 3.21Å; F260-V263 VanDerWaalsContact O-N 3.12Å; V263-G265 VanDerWaalsContact C-N 3.34Å; V263-G265 PolarHBondContact O-N 3.3Å; V263-I266 PolarHBondContact O-N 2.67Å; V263-F267 HydrophobicContact CB-CD2 3.97Å; V263-F267 HydrophobicContact CG1-CD2 4.13Å; V263-F267 HydrophobicContact CG1-CE2 4.28Å; V263-F267 WeakPolarHBondContact O-CA 3.25Å; V263-F267 VanDerWaalsContact O-CB 3.29Å; V263-F267 WeakPolarHBondContact O-CB 3.36Å; V263-F267 PolarHBondContact O-N 2.89Å; V263-F269 HydrophobicContact CB-CD2 3.79Å; V263-F269 HydrophobicContact CB-CE2 4.14Å; V263-F269 HydrophobicContact CG2-CD2 3.94Å; V263-I278 HydrophobicContact CG2-CG2 4.13Å
264	K	93.7	Very high	94.9	Very high	64 Å²	64	61.8 Å²	61.8	28%	0.278	36%	0.356	S	S	.	.	H	α-helix	trans	-58.3	-47	169.3	-64.2	-175	75	154.8	0	111.2	F260 Q262 G268 F269 D271	F260-K264 HydrophobicContact CD1-CD 3.92Å; F260-K264 HydrophobicContact CD1-CG 4.34Å; F260-K264 HydrophobicContact CD2-CG 4.26Å; F260-K264 HydrophobicContact CE1-CD 3.58Å; F260-K264 HydrophobicContact CE1-CG 4.1Å; F260-K264 HydrophobicContact CE2-CD 4.37Å; F260-K264 HydrophobicContact CE2-CG 3.97Å; F260-K264 HydrophobicContact CG-CD 4.47Å; F260-K264 HydrophobicContact CG-CG 4.42Å; F260-K264 HydrophobicContact CZ-CD 3.82Å; F260-K264 HydrophobicContact CZ-CG 3.9Å; F260-K264 WeakPolarHBondContact O-CG 3.28Å; F260-K264 PolarHBondContact O-N 2.9Å; Q262-K264 VanDerWaalsContact C-N 3.35Å; Q262-K264 PolarHBondContact O-N 2.9Å; K264-G268 VanDerWaalsContact O-CA 3.23Å; K264-G268 WeakPolarHBondContact O-CA 3.11Å; K264-G268 PolarHBondContact O-N 2.91Å; K264-F269 VanDerWaalsContact CG-O 3.31Å; K264-F269 WeakPolarHBondContact CG-O 3.33Å; K264-D271 IonicContact NZ-OD1 2.77Å; K264-D271 PolarHBondContact NZ-OD1 2.89Å; K264-D271 IonicContact NZ-OD2 3.98Å
265	G	92.3	Very high	94.8	Very high	69 Å²	69	68.7 Å²	68.7	71%	0.711	39%	0.392	S	S	*	.	H	α-helix	trans	-69.8	-31.3	-179.4	0	0	0	0	0	114.5	N261 Q262 V263	N261-G265 PolarHBondContact O-N 3.33Å; N261-G265 VanDerWaalsContact O-N 3.12Å; Q262-G265 PolarHBondContact O-N 3.47Å; V263-G265 VanDerWaalsContact C-N 3.34Å; V263-G265 PolarHBondContact O-N 3.3Å
266	I	91.6	Very high	94.7	Very high	56 Å²	56	66.1 Å²	66.1	29%	0.287	38%	0.384	S	S	.	.	H	α-helix	trans	-87.2	-39.7	-177.2	-64.4	167.6	0	0	0	111.6	Q262 V263 P315 M319	Q262-I266 HydrophobicContact CB-CD1 4.46Å; Q262-I266 WeakPolarHBondContact O-CB 3.28Å; Q262-I266 WeakPolarHBondContact O-CD1 3.23Å; Q262-I266 WeakPolarHBondContact O-CG1 3.36Å; Q262-I266 PolarHBondContact O-N 3.37Å; V263-I266 PolarHBondContact O-N 2.67Å; I266-P315 HydrophobicContact CG2-CB 3.74Å; I266-M319 HydrophobicContact CD1-CB 4.07Å; I266-M319 HydrophobicContact CD1-CG 4.26Å
267	F	92.1	Very high	94.6	Very high	10 Å²	10	59.9 Å²	59.9	4%	0.044	36%	0.357	C	S	.	.	H	α-helix	trans	-118.6	-2.6	-167.4	-63.2	-62.9	0	0	0	114	P87 W88 V263 F269 P281 P315 Y316 M319	P87-F267 HydrophobicContact CG-CD1 4.23Å; P87-F267 HydrophobicContact CG-CE1 4.25Å; W88-F267 HydrophobicContact CH2-CB 3.65Å; W88-F267 AromaticContact CH2-CD1 3.63Å; W88-F267 HydrophobicContact CH2-CD1 3.63Å; W88-F267 AromaticContact CH2-CG 3.97Å; W88-F267 HydrophobicContact CH2-CG 3.97Å; W88-F267 HydrophobicContact CZ3-CB 3.83Å; W88-F267 AromaticContact CZ3-CD1 3.96Å; W88-F267 HydrophobicContact CZ3-CD1 3.96Å; W88-F267 HydrophobicContact CZ3-CG 4.37Å; W88-F267 WeakPolarHBondContact CZ3-O 3.13Å; V263-F267 HydrophobicContact CB-CD2 3.97Å; V263-F267 HydrophobicContact CG1-CD2 4.13Å; V263-F267 HydrophobicContact CG1-CE2 4.28Å; V263-F267 WeakPolarHBondContact O-CA 3.25Å; V263-F267 VanDerWaalsContact O-CB 3.29Å; V263-F267 WeakPolarHBondContact O-CB 3.36Å; V263-F267 PolarHBondContact O-N 2.89Å; F267-F269 HydrophobicContact CB-CD1 4.38Å; F267-F269 HydrophobicContact CB-CD2 3.89Å; F267-F269 HydrophobicContact CB-CE1 4.16Å; F267-F269 HydrophobicContact CB-CE2 3.66Å; F267-F269 HydrophobicContact CB-CG 4.23Å; F267-F269 HydrophobicContact CB-CZ 3.79Å; F267-F269 HydrophobicContact CD2-CD2 4.5Å; F267-F269 AromaticContact CD2-CE2 3.92Å; F267-F269 HydrophobicContact CD2-CE2 3.92Å; F267-F269 HydrophobicContact CG-CE2 4.01Å; F267-F269 HydrophobicContact CG-CZ 4.21Å; F267-F269 PolarHBondContact O-N 3.26Å; F267-P281 HydrophobicContact CD2-CB 4.43Å; F267-P281 HydrophobicContact CD2-CG 3.85Å; F267-P281 HydrophobicContact CE2-CB 3.61Å; F267-P281 HydrophobicContact CE2-CG 3.52Å; F267-P281 HydrophobicContact CZ-CB 3.92Å; F267-P281 HydrophobicContact CZ-CG 4.03Å; F267-P315 HydrophobicContact CE1-CB 4.33Å; F267-Y316 HydrophobicContact CD1-CE1 4.35Å; F267-Y316 HydrophobicContact CD1-CE2 4.36Å; F267-Y316 AromaticContact CE1-CD1 3.62Å; F267-Y316 HydrophobicContact CE1-CD1 3.62Å; F267-Y316 AromaticContact CE1-CD2 3.75Å; F267-Y316 HydrophobicContact CE1-CD2 3.75Å; F267-Y316 AromaticContact CE1-CE1 3.53Å; F267-Y316 HydrophobicContact CE1-CE1 3.53Å; F267-Y316 AromaticContact CE1-CE2 3.66Å; F267-Y316 HydrophobicContact CE1-CE2 3.66Å; F267-Y316 AromaticContact CE1-CG 3.73Å; F267-Y316 HydrophobicContact CE1-CG 3.73Å; F267-Y316 AromaticContact CE1-CZ 3.54Å; F267-Y316 HydrophobicContact CE2-CD1 4.47Å; F267-Y316 HydrophobicContact CE2-CE1 4.46Å; F267-Y316 AromaticContact CZ-CD1 3.41Å; F267-Y316 HydrophobicContact CZ-CD1 3.41Å; F267-Y316 VanDerWaalsContact CZ-CD1 3.41Å; F267-Y316 HydrophobicContact CZ-CD2 4.31Å; F267-Y316 AromaticContact CZ-CE1 3.59Å; F267-Y316 HydrophobicContact CZ-CE1 3.59Å; F267-Y316 HydrophobicContact CZ-CE2 4.45Å; F267-Y316 AromaticContact CZ-CG 3.8Å; F267-Y316 HydrophobicContact CZ-CG 3.8Å; F267-M319 HydrophobicContact CE2-SD 4.04Å
268	G	90.9	Very high	94.6	Very high	55 Å²	55	59.6 Å²	59.6	57%	0.567	36%	0.357	S	S	*	.			trans	70.3	15.5	-180	0	0	0	0	0	114.4	K264	K264-G268 VanDerWaalsContact O-CA 3.23Å; K264-G268 WeakPolarHBondContact O-CA 3.11Å; K264-G268 PolarHBondContact O-N 2.91Å
269	F	92.8	Very high	94.5	Very high	9 Å²	9	60.5 Å²	60.5	4%	0.039	36%	0.364	C	S	.	.			trans	-59.7	148.3	177.2	-63.3	-40.1	0	0	0	112.1	W88 W203 V263 K264 F267 K277 I278 P281	W88-F269 AromaticContact CH2-CE1 3.95Å; W88-F269 HydrophobicContact CH2-CE1 3.95Å; W88-F269 HydrophobicContact CH2-CZ 4.05Å; W88-F269 HydrophobicContact CZ2-CE1 4.24Å; W88-F269 HydrophobicContact CZ2-CZ 4.39Å; W203-F269 HydrophobicContact CH2-CZ 4.35Å; W203-F269 AromaticContact CZ2-CE1 3.76Å; W203-F269 HydrophobicContact CZ2-CE1 3.76Å; W203-F269 AromaticContact CZ2-CZ 3.86Å; W203-F269 HydrophobicContact CZ2-CZ 3.86Å; V263-F269 HydrophobicContact CB-CD2 3.79Å; V263-F269 HydrophobicContact CB-CE2 4.14Å; V263-F269 HydrophobicContact CG2-CD2 3.94Å; K264-F269 VanDerWaalsContact CG-O 3.31Å; K264-F269 WeakPolarHBondContact CG-O 3.33Å; F267-F269 HydrophobicContact CB-CD1 4.38Å; F267-F269 HydrophobicContact CB-CD2 3.89Å; F267-F269 HydrophobicContact CB-CE1 4.16Å; F267-F269 HydrophobicContact CB-CE2 3.66Å; F267-F269 HydrophobicContact CB-CG 4.23Å; F267-F269 HydrophobicContact CB-CZ 3.79Å; F267-F269 HydrophobicContact CD2-CD2 4.5Å; F267-F269 AromaticContact CD2-CE2 3.92Å; F267-F269 HydrophobicContact CD2-CE2 3.92Å; F267-F269 HydrophobicContact CG-CE2 4.01Å; F267-F269 HydrophobicContact CG-CZ 4.21Å; F267-F269 PolarHBondContact O-N 3.26Å; F269-K277 HydrophobicContact CE1-CB 4.27Å; F269-K277 WeakPolarHBondContact CZ-O 3.45Å; F269-I278 HydrophobicContact CD2-CG1 4.49Å; F269-P281 HydrophobicContact CE2-CG 4Å; F269-P281 HydrophobicContact CZ-CG 4.4Å
270	T	93.7	Very high	94.7	Very high	40 Å²	40	56.9 Å²	56.9	25%	0.245	34%	0.342	C	S	.	.			trans	-117.7	173.2	178.7	72.6	0	0	0	0	110.6	S272 D273	T270-S272 PolarHBondContact O-N 3.27Å; T270-S272 PolarHBondContact OG1-N 2.98Å; T270-D273 PolarHBondContact N-OD2 2.81Å; T270-D273 PolarHBondContact O-N 2.81Å; T270-D273 PolarHBondContact OG1-OD2 3.04Å
271	D	91.5	Very high	94.8	Very high	123 Å²	123	53.3 Å²	53.3	66%	0.658	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-5.3	178	-55.5	-2.1	0	0	0	111.9	F260 K264	F260-D271 VanDerWaalsContact CE1-OD1 3.28Å; F260-D271 WeakPolarHBondContact CE1-OD1 3.42Å; K264-D271 IonicContact NZ-OD1 2.77Å; K264-D271 PolarHBondContact NZ-OD1 2.89Å; K264-D271 IonicContact NZ-OD2 3.98Å
272	S	95	Very high	95	Very high	117 Å²	117	47.5 Å²	47.5	82%	0.818	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-12.8	175.5	-56.5	0	0	0	0	113.3	T270	T270-S272 PolarHBondContact O-N 3.27Å; T270-S272 PolarHBondContact OG1-N 2.98Å
273	D	95.1	Very high	95.1	Very high	36 Å²	36	45.4 Å²	45.4	19%	0.193	29%	0.287	C	S	.	.	S	Bend	trans	-70.8	143.1	176.8	-75.1	-69.5	0	0	0	111.3	T270 K277 I278	T270-D273 PolarHBondContact N-OD2 2.81Å; T270-D273 PolarHBondContact O-N 2.81Å; T270-D273 PolarHBondContact OG1-OD2 3.04Å; D273-K277 HydrophobicContact CB-CD 4.31Å; D273-K277 WeakPolarHBondContact OD1-CD 3.22Å; D273-K277 IonicContact OD1-NZ 3.38Å; D273-K277 PolarHBondContact OD1-NZ 3.5Å; D273-I278 HydrophobicContact CB-CD1 4.49Å; D273-I278 HydrophobicContact CB-CG1 4.33Å
274	C	96.3	Very high	95.3	Very high	62 Å²	62	46 Å²	46	42%	0.419	29%	0.289	S	S	.	.			trans	-68.7	151.3	178.6	74.7	0	0	0	0	111.4	G276 K277 I278	C274-G276 PolarHBondContact O-N 2.9Å; C274-K277 PolarHBondContact O-N 2.68Å; C274-I278 PolarHBondContact O-N 3.11Å
275	I	96.6	Very high	95.6	Very high	146 Å²	146	43 Å²	43	75%	0.749	28%	0.276	S	S	*	.	H	α-helix	trans	-57.9	-25.9	-177.7	64.3	174.1	0	0	0	113.5	I278 S279	I275-I278 PolarHBondContact O-N 3.22Å; I275-S279 WeakPolarHBondContact O-CB 3.49Å; I275-S279 PolarHBondContact O-N 3.25Å; I275-S279 PolarHBondContact O-OG 3.08Å
276	G	97.3	Very high	95.9	Very high	16 Å²	16	39.7 Å²	39.7	17%	0.165	24%	0.242	C	C	.	.	H	α-helix	trans	-63.7	-48.5	174.8	0	0	0	0	0	111.5	C274 I278 S279 F280	C274-G276 PolarHBondContact O-N 2.9Å; G276-I278 VanDerWaalsContact C-N 3.31Å; G276-I278 PolarHBondContact O-N 2.83Å; G276-S279 PolarHBondContact O-N 3.42Å; G276-S279 PolarHBondContact O-OG 3.15Å; G276-S279 VanDerWaalsContact O-OG 3.13Å; G276-F280 WeakPolarHBondContact O-CB 3.5Å; G276-F280 PolarHBondContact O-N 2.66Å
277	K	96.8	Very high	96.2	Very high	41 Å²	41	37 Å²	37	18%	0.178	23%	0.228	C	C	.	.	H	α-helix	trans	-59.1	-44.7	176.3	-69.3	-173.6	179.1	-179.7	0	112	L202 W203 F269 D273 C274 S279 F280 P281	L202-K277 HydrophobicContact CB-CG 4.25Å; L202-K277 WeakPolarHBondContact O-CE 3.26Å; W203-K277 HydrophobicContact CD2-CD 4.03Å; W203-K277 HydrophobicContact CD2-CG 3.82Å; W203-K277 HydrophobicContact CE3-CD 4.41Å; W203-K277 HydrophobicContact CE3-CG 3.7Å; W203-K277 HydrophobicContact CG-CD 4.47Å; W203-K277 VanDerWaalsContact CH2-CA 3.43Å; W203-K277 HydrophobicContact CH2-CB 3.66Å; W203-K277 HydrophobicContact CH2-CG 3.75Å; W203-K277 HydrophobicContact CZ2-CB 3.79Å; W203-K277 HydrophobicContact CZ2-CD 4.16Å; W203-K277 HydrophobicContact CZ2-CG 3.79Å; W203-K277 HydrophobicContact CZ3-CB 4.03Å; W203-K277 HydrophobicContact CZ3-CG 3.7Å; F269-K277 HydrophobicContact CE1-CB 4.27Å; F269-K277 WeakPolarHBondContact CZ-O 3.45Å; D273-K277 HydrophobicContact CB-CD 4.31Å; D273-K277 WeakPolarHBondContact OD1-CD 3.22Å; D273-K277 IonicContact OD1-NZ 3.38Å; D273-K277 PolarHBondContact OD1-NZ 3.5Å; C274-K277 PolarHBondContact O-N 2.68Å; K277-S279 VanDerWaalsContact C-N 3.27Å; K277-S279 PolarHBondContact O-N 2.76Å; K277-F280 PolarHBondContact O-N 2.93Å; K277-P281 WeakPolarHBondContact O-CD 3.24Å
278	I	96.9	Very high	96.6	Very high	42 Å²	42	36.6 Å²	36.6	22%	0.215	23%	0.227	C	C	.	.	H	α-helix	trans	-62.6	-35.5	-178.5	-64.1	169.2	0	0	0	111.4	F260 V263 F269 D273 C274 I275 G276	F260-I278 HydrophobicContact CD2-CD1 4.34Å; F260-I278 HydrophobicContact CD2-CG2 3.71Å; F260-I278 HydrophobicContact CE2-CD1 3.6Å; F260-I278 HydrophobicContact CE2-CG1 3.96Å; F260-I278 HydrophobicContact CE2-CG2 3.96Å; F260-I278 HydrophobicContact CZ-CD1 4.24Å; V263-I278 HydrophobicContact CG2-CG2 4.13Å; F269-I278 HydrophobicContact CD2-CG1 4.49Å; D273-I278 HydrophobicContact CB-CD1 4.49Å; D273-I278 HydrophobicContact CB-CG1 4.33Å; C274-I278 PolarHBondContact O-N 3.11Å; I275-I278 PolarHBondContact O-N 3.22Å; G276-I278 VanDerWaalsContact C-N 3.31Å; G276-I278 PolarHBondContact O-N 2.83Å
279	S	97.1	Very high	96.9	Very high	43 Å²	43	34.2 Å²	34.2	30%	0.301	20%	0.2	S	C	.	.	H	α-helix	trans	-91	-20.1	-177.2	59.6	0	0	0	0	114.6	I275 G276 K277 P281 A282	I275-S279 WeakPolarHBondContact O-CB 3.49Å; I275-S279 PolarHBondContact O-N 3.25Å; I275-S279 PolarHBondContact O-OG 3.08Å; G276-S279 PolarHBondContact O-N 3.42Å; G276-S279 PolarHBondContact O-OG 3.15Å; G276-S279 VanDerWaalsContact O-OG 3.13Å; K277-S279 VanDerWaalsContact C-N 3.27Å; K277-S279 PolarHBondContact O-N 2.76Å; S279-P281 VanDerWaalsContact C-CD 3.43Å; S279-A282 WeakPolarHBondContact O-CB 3.32Å; S279-A282 PolarHBondContact O-N 2.82Å
280	F	98.2	Very high	97.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-55.5	-37.3	-178.2	173.4	-101.3	0	0	0	115.4	T196 E199 W203 G276 K277 A282 I283 Q284 Y316	T196-F280 HydrophobicContact CG2-CE2 4.09Å; T196-F280 HydrophobicContact CG2-CZ 3.72Å; E199-F280 HydrophobicContact CB-CD1 4.09Å; E199-F280 HydrophobicContact CB-CD2 3.79Å; E199-F280 HydrophobicContact CB-CE1 3.76Å; E199-F280 HydrophobicContact CB-CE2 3.45Å; E199-F280 VanDerWaalsContact CB-CE2 3.45Å; E199-F280 HydrophobicContact CB-CG 4.11Å; E199-F280 HydrophobicContact CB-CZ 3.43Å; E199-F280 VanDerWaalsContact CB-CZ 3.43Å; E199-F280 HydrophobicContact CG-CD1 3.92Å; E199-F280 HydrophobicContact CG-CE1 3.58Å; E199-F280 HydrophobicContact CG-CE2 4.25Å; E199-F280 HydrophobicContact CG-CG 4.38Å; E199-F280 HydrophobicContact CG-CZ 3.77Å; W203-F280 HydrophobicContact CH2-CB 3.89Å; W203-F280 AromaticContact CH2-CD1 3.83Å; W203-F280 HydrophobicContact CH2-CD1 3.83Å; W203-F280 HydrophobicContact CH2-CG 4.09Å; W203-F280 HydrophobicContact CZ3-CB 4.01Å; W203-F280 HydrophobicContact CZ3-CD1 4.1Å; W203-F280 HydrophobicContact CZ3-CG 4.07Å; G276-F280 WeakPolarHBondContact O-CB 3.5Å; G276-F280 PolarHBondContact O-N 2.66Å; K277-F280 PolarHBondContact O-N 2.93Å; F280-A282 PolarHBondContact O-N 3.02Å; F280-I283 HydrophobicContact CD2-CB 4.09Å; F280-I283 HydrophobicContact CD2-CD1 4.3Å; F280-I283 HydrophobicContact CE2-CB 4.32Å; F280-I283 HydrophobicContact CE2-CG2 4.46Å; F280-I283 WeakPolarHBondContact O-CA 3.47Å; F280-I283 VanDerWaalsContact O-CB 3.28Å; F280-I283 WeakPolarHBondContact O-CB 3.47Å; F280-I283 PolarHBondContact O-N 3.19Å; F280-Q284 HydrophobicContact CE1-CB 4.04Å; F280-Q284 VanDerWaalsContact CE1-OE1 3.25Å; F280-Q284 HydrophobicContact CZ-CB 3.88Å; F280-Q284 PolarHBondContact O-N 3.01Å; F280-Q284 VanDerWaalsContact O-N 3.12Å; F280-Y316 HydrophobicContact CD1-CE1 4.31Å; F280-Y316 HydrophobicContact CE1-CE1 4.21Å
281	P	98.3	Very high	97.4	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.006	19%	0.194	C	C	.	.	H	α-helix	trans	-53.3	-31.2	177.3	-28.3	34.3	0	0	0	114.2	F267 F269 K277 S279 I283 A285 Y316 M319	F267-P281 HydrophobicContact CD2-CB 4.43Å; F267-P281 HydrophobicContact CD2-CG 3.85Å; F267-P281 HydrophobicContact CE2-CB 3.61Å; F267-P281 HydrophobicContact CE2-CG 3.52Å; F267-P281 HydrophobicContact CZ-CB 3.92Å; F267-P281 HydrophobicContact CZ-CG 4.03Å; F269-P281 HydrophobicContact CE2-CG 4Å; F269-P281 HydrophobicContact CZ-CG 4.4Å; K277-P281 WeakPolarHBondContact O-CD 3.24Å; S279-P281 VanDerWaalsContact C-CD 3.43Å; P281-I283 VanDerWaalsContact C-N 3.34Å; P281-A285 VanDerWaalsContact O-CB 3.24Å; P281-A285 WeakPolarHBondContact O-CB 3.36Å; P281-A285 PolarHBondContact O-N 3.15Å; P281-A285 VanDerWaalsContact O-N 3.07Å; P281-Y316 HydrophobicContact CB-CD1 3.94Å; P281-Y316 HydrophobicContact CB-CE1 3.83Å; P281-Y316 HydrophobicContact CG-CD1 4.5Å; P281-Y316 HydrophobicContact CG-CE1 3.92Å; P281-M319 HydrophobicContact CB-CE 3.65Å; P281-M319 HydrophobicContact CB-SD 3.87Å; P281-M319 WeakPolarHBondContact O-CE 3.43Å
282	A	98.7	Very high	97.7	Very high	5 Å²	5	27.3 Å²	27.3	4%	0.041	16%	0.162	C	C	.	.	H	α-helix	trans	-69.9	-31	175.2	0	0	0	0	0	113.1	V251 I254 Q255 S279 F280 A286	V251-A282 HydrophobicContact CG1-CB 4.35Å; I254-A282 HydrophobicContact CB-CB 4Å; I254-A282 HydrophobicContact CG2-CB 3.7Å; Q255-A282 HydrophobicContact CB-CB 4.5Å; Q255-A282 HydrophobicContact CG-CB 3.47Å; Q255-A282 VanDerWaalsContact CG-CB 3.47Å; S279-A282 WeakPolarHBondContact O-CB 3.32Å; S279-A282 PolarHBondContact O-N 2.82Å; F280-A282 PolarHBondContact O-N 3.02Å; A282-A286 PolarHBondContact O-N 2.92Å; A282-A286 VanDerWaalsContact O-N 3.16Å
283	I	98.7	Very high	97.9	Very high	15 Å²	15	21.7 Å²	21.7	8%	0.077	12%	0.123	C	C	.	.	H	α-helix	trans	-68.8	-49.3	175.7	-53.3	-179.7	0	0	0	109.6	Q194 D198 D237 M241 F247 V251 F280 P281 A285 A286 P287	Q194-I283 PolarHBondContact NE2-O 3.17Å; D198-I283 WeakPolarHBondContact OD2-CD1 3.32Å; D237-I283 HydrophobicContact CB-CG2 4.39Å; M241-I283 HydrophobicContact CE-CB 4.4Å; M241-I283 HydrophobicContact CE-CD1 3.73Å; M241-I283 HydrophobicContact CE-CG1 3.78Å; M241-I283 HydrophobicContact CE-CG2 3.83Å; F247-I283 HydrophobicContact CE1-CG2 4.2Å; F247-I283 HydrophobicContact CZ-CG2 3.96Å; V251-I283 HydrophobicContact CG1-CG1 4.06Å; F280-I283 HydrophobicContact CD2-CB 4.09Å; F280-I283 HydrophobicContact CD2-CD1 4.3Å; F280-I283 HydrophobicContact CE2-CB 4.32Å; F280-I283 HydrophobicContact CE2-CG2 4.46Å; F280-I283 WeakPolarHBondContact O-CA 3.47Å; F280-I283 VanDerWaalsContact O-CB 3.28Å; F280-I283 WeakPolarHBondContact O-CB 3.47Å; F280-I283 PolarHBondContact O-N 3.19Å; P281-I283 VanDerWaalsContact C-N 3.34Å; I283-A285 PolarHBondContact O-N 3.05Å; I283-A286 PolarHBondContact O-N 3.35Å; I283-P287 VanDerWaalsContact O-CD 3.24Å; I283-P287 WeakPolarHBondContact O-CD 3.47Å
284	Q	98.5	Very high	97.9	Very high	17 Å²	17	22.6 Å²	22.6	8%	0.079	13%	0.131	C	C	.	.	H	α-helix	trans	-63.9	-28.1	176.2	-174.1	172.2	-21.9	0	0	113.4	Y159 F280 P287 Y316	Y159-Q284 PolarHBondContact OH-O 3.02Å; F280-Q284 HydrophobicContact CE1-CB 4.04Å; F280-Q284 VanDerWaalsContact CE1-OE1 3.25Å; F280-Q284 HydrophobicContact CZ-CB 3.88Å; F280-Q284 PolarHBondContact O-N 3.01Å; F280-Q284 VanDerWaalsContact O-N 3.12Å; Q284-P287 WeakPolarHBondContact O-CD 3.39Å; Q284-Y316 HydrophobicContact CB-CD1 4.22Å; Q284-Y316 HydrophobicContact CB-CE1 4.48Å; Q284-Y316 HydrophobicContact CG-CD1 4.3Å; Q284-Y316 HydrophobicContact CG-CG 4.46Å
285	A	98.8	Very high	97.9	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-76.3	-33.9	177.9	0	0	0	0	0	113.4	I254 P281 I283 P287 S288 M319 T320	I254-A285 HydrophobicContact CD1-CB 3.92Å; I254-A285 HydrophobicContact CG2-CB 4.25Å; P281-A285 VanDerWaalsContact O-CB 3.24Å; P281-A285 WeakPolarHBondContact O-CB 3.36Å; P281-A285 PolarHBondContact O-N 3.15Å; P281-A285 VanDerWaalsContact O-N 3.07Å; I283-A285 PolarHBondContact O-N 3.05Å; A285-P287 VanDerWaalsContact C-CD 3.45Å; A285-S288 WeakPolarHBondContact O-CB 3.49Å; A285-S288 PolarHBondContact O-N 2.94Å; A285-S288 PolarHBondContact O-OG 3.04Å; A285-S288 VanDerWaalsContact O-OG 3.05Å; A285-M319 HydrophobicContact CB-CE 4.11Å; A285-T320 HydrophobicContact CB-CG2 3.98Å; A285-T320 WeakPolarHBondContact CB-OG1 3.31Å
286	A	98.8	Very high	97.9	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	-57.4	-36.5	-171.3	0	0	0	0	0	115.5	F247 N250 V251 I254 A282 I283 S288 F289 S292	F247-A286 HydrophobicContact CD2-CB 4.06Å; F247-A286 HydrophobicContact CE2-CB 3.75Å; F247-A286 HydrophobicContact CZ-CB 4.31Å; N250-A286 HydrophobicContact CB-CB 4.32Å; V251-A286 HydrophobicContact CG2-CB 3.6Å; I254-A286 HydrophobicContact CD1-CB 4.02Å; A282-A286 PolarHBondContact O-N 2.92Å; A282-A286 VanDerWaalsContact O-N 3.16Å; I283-A286 PolarHBondContact O-N 3.35Å; A286-S288 PolarHBondContact O-N 2.84Å; A286-S288 VanDerWaalsContact O-N 3.1Å; A286-F289 PolarHBondContact O-N 3.16Å; A286-F289 VanDerWaalsContact O-N 3.16Å; A286-S292 PolarHBondContact O-OG 2.93Å
287	P	98.8	Very high	97.9	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.081	C	C	.	.	G	3₁₀ helix	trans	-62.3	-13.5	174.9	-27.4	37.2	0	0	0	114.9	Y157 Y159 Q194 F235 F247 I283 Q284 A285 F289 F293	Y157-P287 PolarHBondContact OH-O 2.76Å; Y159-P287 HydrophobicContact CD1-CB 3.7Å; Y159-P287 HydrophobicContact CD2-CB 3.74Å; Y159-P287 HydrophobicContact CE1-CB 3.56Å; Y159-P287 HydrophobicContact CE1-CG 4.15Å; Y159-P287 HydrophobicContact CE2-CB 3.67Å; Y159-P287 HydrophobicContact CE2-CG 4.01Å; Y159-P287 HydrophobicContact CG-CB 3.83Å; Q194-P287 HydrophobicContact CB-CG 4.49Å; F235-P287 HydrophobicContact CZ-CB 4.35Å; F235-P287 HydrophobicContact CZ-CG 3.71Å; F247-P287 HydrophobicContact CE2-CG 3.91Å; I283-P287 VanDerWaalsContact O-CD 3.24Å; I283-P287 WeakPolarHBondContact O-CD 3.47Å; Q284-P287 WeakPolarHBondContact O-CD 3.39Å; A285-P287 VanDerWaalsContact C-CD 3.45Å; P287-F289 PolarHBondContact O-N 2.8Å; P287-F293 HydrophobicContact CB-CE2 4.14Å; P287-F293 HydrophobicContact CB-CZ 3.77Å; P287-F293 HydrophobicContact CG-CZ 4.36Å
288	S	98.9	Very high	97.7	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.007	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-69.2	-10.7	175.3	-56.9	0	0	0	0	113.2	Y157 A285 A286 C305	Y157-S288 PolarHBondContact OH-O 3.3Å; A285-S288 WeakPolarHBondContact O-CB 3.49Å; A285-S288 PolarHBondContact O-N 2.94Å; A285-S288 PolarHBondContact O-OG 3.04Å; A285-S288 VanDerWaalsContact O-OG 3.05Å; A286-S288 PolarHBondContact O-N 2.84Å; A286-S288 VanDerWaalsContact O-N 3.1Å; S288-C305 WeakPolarHBondContact O-CB 3.25Å
289	F	98.8	Very high	97.6	Very high	4 Å²	4	25.5 Å²	25.5	2%	0.018	13%	0.128	C	C	.	.	S	Bend	trans	-116.5	122.4	-176.7	-52	-58.7	0	0	0	110.8	Y157 I254 A286 P287 N291 S292 T320 A324 I327 Y329	Y157-F289 PolarHBondContact OH-N 2.89Å; I254-F289 HydrophobicContact CD1-CD2 4.07Å; I254-F289 HydrophobicContact CD1-CE2 3.69Å; I254-F289 HydrophobicContact CG1-CE2 3.97Å; A286-F289 PolarHBondContact O-N 3.16Å; A286-F289 VanDerWaalsContact O-N 3.16Å; P287-F289 PolarHBondContact O-N 2.8Å; F289-N291 VanDerWaalsContact C-N 3.35Å; F289-N291 PolarHBondContact O-N 3.09Å; F289-S292 WeakPolarHBondContact O-CB 3.24Å; F289-S292 PolarHBondContact O-N 2.88Å; F289-S292 PolarHBondContact O-OG 3.29Å; F289-S292 VanDerWaalsContact O-OG 3.11Å; F289-T320 HydrophobicContact CE2-CG2 4.07Å; F289-T320 HydrophobicContact CZ-CG2 3.72Å; F289-A324 HydrophobicContact CE1-CB 3.79Å; F289-A324 HydrophobicContact CZ-CB 4.04Å; F289-I327 HydrophobicContact CD2-CD1 4.21Å; F289-I327 HydrophobicContact CE1-CD1 4.29Å; F289-I327 HydrophobicContact CE2-CD1 3.78Å; F289-I327 HydrophobicContact CZ-CD1 3.82Å; F289-Y329 HydrophobicContact CB-CD2 3.8Å; F289-Y329 HydrophobicContact CB-CE2 4.02Å; F289-Y329 AromaticContact CD1-CD2 3.4Å; F289-Y329 HydrophobicContact CD1-CD2 3.4Å; F289-Y329 HydrophobicContact CD1-CE2 4.39Å; F289-Y329 AromaticContact CD1-CG 3.97Å; F289-Y329 HydrophobicContact CD1-CG 3.97Å; F289-Y329 HydrophobicContact CD2-CD2 4.07Å; F289-Y329 HydrophobicContact CD2-CE2 4.44Å; F289-Y329 AromaticContact CE1-CD2 3.93Å; F289-Y329 HydrophobicContact CE1-CD2 3.93Å; F289-Y329 HydrophobicContact CE1-CG 4.41Å; F289-Y329 AromaticContact CG-CD2 3.46Å; F289-Y329 HydrophobicContact CG-CD2 3.46Å; F289-Y329 VanDerWaalsContact CG-CD2 3.46Å; F289-Y329 HydrophobicContact CG-CE2 4.03Å; F289-Y329 HydrophobicContact CG-CG 4.42Å; F289-Y329 HydrophobicContact CZ-CD2 4.46Å
290	S	98.2	Very high	97.5	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-60	-37.6	-168.3	34.5	0	0	0	0	114.1	Y157 S292 F293 F297 R300	Y157-S290 PolarHBondContact OH-N 3.09Å; S290-S292 PolarHBondContact O-N 2.83Å; S290-F293 PolarHBondContact O-N 3.46Å; S290-F297 VanDerWaalsContact O-CD2 3.23Å; S290-F297 WeakPolarHBondContact O-CD2 3.39Å; S290-R300 PolarHBondContact OG-O 2.9Å; S290-R300 VanDerWaalsContact OG-O 3.05Å
291	N	97.4	Very high	97.5	Very high	27 Å²	27	29.4 Å²	29.4	14%	0.144	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-69.4	1.4	176.5	68.3	-28.9	0	0	0	114.8	G246 N250 F289 F293 R300 T301 Y329	G246-N291 WeakPolarHBondContact CA-O 3.46Å; N250-N291 PolarHBondContact ND2-OD1 2.78Å; F289-N291 VanDerWaalsContact C-N 3.35Å; F289-N291 PolarHBondContact O-N 3.09Å; N291-F293 PolarHBondContact O-N 3.43Å; N291-R300 WeakPolarHBondContact CB-O 3.22Å; N291-R300 PolarHBondContact N-O 2.82Å; N291-T301 HydrophobicContact CB-CG2 4.13Å; N291-T301 WeakPolarHBondContact ND2-CG2 3.37Å; N291-Y329 PolarHBondContact ND2-OH 3.11Å
292	S	98.7	Very high	97.3	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-65.3	-21.2	160.7	-69.3	0	0	0	0	112.6	Y240 S244 N250 A286 F289 S290 P294	Y240-S292 PolarHBondContact OH-O 2.94Å; S244-S292 PolarHBondContact OG-O 3.24Å; S244-S292 VanDerWaalsContact OG-O 3.08Å; N250-S292 PolarHBondContact ND2-N 3Å; N250-S292 PolarHBondContact ND2-OG 2.9Å; A286-S292 PolarHBondContact O-OG 2.93Å; F289-S292 WeakPolarHBondContact O-CB 3.24Å; F289-S292 PolarHBondContact O-N 2.88Å; F289-S292 PolarHBondContact O-OG 3.29Å; F289-S292 VanDerWaalsContact O-OG 3.11Å; S290-S292 PolarHBondContact O-N 2.83Å; S292-P294 VanDerWaalsContact C-CD 3.47Å; S292-P294 WeakPolarHBondContact O-CD 3.46Å
293	F	98.3	Very high	97.2	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.161	C	C	.	.			trans	-122.6	69.1	-177.8	-45.1	-82.1	0	0	0	111.8	Y157 V192 F233 F235 Y240 P287 S290 N291 Q295 I296 F297	Y157-F293 HydrophobicContact CE2-CE2 4.46Å; V192-F293 HydrophobicContact CB-CE1 4.17Å; V192-F293 HydrophobicContact CB-CE2 4.25Å; V192-F293 HydrophobicContact CB-CZ 3.92Å; V192-F293 HydrophobicContact CG1-CD1 4.04Å; V192-F293 HydrophobicContact CG1-CD2 4.06Å; V192-F293 HydrophobicContact CG1-CE1 4Å; V192-F293 HydrophobicContact CG1-CE2 4Å; V192-F293 HydrophobicContact CG1-CG 4.08Å; V192-F293 HydrophobicContact CG1-CZ 3.97Å; V192-F293 HydrophobicContact CG2-CE1 4.47Å; V192-F293 HydrophobicContact CG2-CE2 3.78Å; V192-F293 HydrophobicContact CG2-CZ 3.73Å; F233-F293 AromaticContact CD1-CD1 3.97Å; F233-F293 HydrophobicContact CD1-CD1 3.97Å; F233-F293 HydrophobicContact CD1-CE1 4.27Å; F233-F293 AromaticContact CE1-CD1 3.91Å; F233-F293 HydrophobicContact CE1-CD1 3.91Å; F233-F293 HydrophobicContact CE1-CE1 4.16Å; F235-F293 AromaticContact CD1-CE1 3.98Å; F235-F293 HydrophobicContact CD1-CE1 3.98Å; F235-F293 AromaticContact CE1-CE1 3.58Å; F235-F293 HydrophobicContact CE1-CE1 3.58Å; F235-F293 AromaticContact CE1-CZ 3.83Å; F235-F293 HydrophobicContact CE1-CZ 3.83Å; F235-F293 HydrophobicContact CZ-CE1 4.03Å; F235-F293 HydrophobicContact CZ-CZ 4.09Å; Y240-F293 AromaticContact CE1-CD1 3.76Å; Y240-F293 HydrophobicContact CE1-CD1 3.76Å; Y240-F293 AromaticContact CE1-CE1 3.7Å; Y240-F293 HydrophobicContact CE1-CE1 3.7Å; Y240-F293 AromaticContact CZ-CD1 3.74Å; Y240-F293 WeakPolarHBondContact OH-CA 3.07Å; Y240-F293 VanDerWaalsContact OH-CD1 3.28Å; Y240-F293 WeakPolarHBondContact OH-CD1 3.46Å; P287-F293 HydrophobicContact CB-CE2 4.14Å; P287-F293 HydrophobicContact CB-CZ 3.77Å; P287-F293 HydrophobicContact CG-CZ 4.36Å; S290-F293 PolarHBondContact O-N 3.46Å; N291-F293 PolarHBondContact O-N 3.43Å; F293-Q295 PolarHBondContact O-N 2.9Å; F293-Q295 VanDerWaalsContact O-N 3.17Å; F293-I296 HydrophobicContact CB-CB 4.18Å; F293-I296 HydrophobicContact CB-CD1 3.89Å; F293-I296 HydrophobicContact CB-CG1 4.07Å; F293-I296 HydrophobicContact CG-CD1 4.35Å; F293-I296 PolarHBondContact O-N 2.94Å; F293-F297 HydrophobicContact CB-CD2 3.9Å; F293-F297 HydrophobicContact CB-CE2 4.16Å; F293-F297 HydrophobicContact CD2-CD2 4.31Å; F293-F297 HydrophobicContact CD2-CE2 4.08Å; F293-F297 HydrophobicContact CG-CE2 4.48Å; F293-F297 PolarHBondContact O-N 3.21Å
294	P	96.6	Very high	97.1	Very high	55 Å²	55	33.6 Å²	33.6	36%	0.357	16%	0.163	S	C	.	.	H	α-helix	trans	-61.3	-25.7	-176.8	25.9	-35.3	0	0	0	114.3	S292 I296 R298	S292-P294 VanDerWaalsContact C-CD 3.47Å; S292-P294 WeakPolarHBondContact O-CD 3.46Å; P294-I296 PolarHBondContact O-N 3.14Å; P294-R298 VanDerWaalsContact CA-O 3.29Å; P294-R298 WeakPolarHBondContact CA-O 3.39Å; P294-R298 WeakPolarHBondContact O-CA 3.34Å; P294-R298 PolarHBondContact O-N 3.42Å
295	Q	95.6	Very high	97.1	Very high	45 Å²	45	32.8 Å²	32.8	21%	0.21	16%	0.159	C	C	.	.	H	α-helix	trans	-65.7	-24.8	172.5	72	-73.8	4.6	0	0	113.4	Y240 F293 P463 R464 K465	Y240-Q295 PolarHBondContact OH-NE2 3.42Å; Y240-Q295 PolarHBondContact OH-OE1 3.38Å; Y240-Q295 VanDerWaalsContact OH-OE1 3.12Å; F293-Q295 PolarHBondContact O-N 2.9Å; F293-Q295 VanDerWaalsContact O-N 3.17Å; Q295-P463 HydrophobicContact CG-CB 3.98Å; Q295-R464 WeakPolarHBondContact CG-O 3.3Å; Q295-K465 WeakPolarHBondContact O-CA 3.41Å
296	I	96.6	Very high	97.1	Very high	10 Å²	10	32.8 Å²	32.8	5%	0.051	16%	0.159	C	C	.	.	H	α-helix	trans	-99.7	-53.6	179.1	-50.9	177	0	0	0	109.9	V192 F233 F293 P294 L466 F470	V192-I296 HydrophobicContact CG1-CD1 3.82Å; F233-I296 HydrophobicContact CB-CD1 4.05Å; F233-I296 HydrophobicContact CD1-CD1 4.22Å; F233-I296 HydrophobicContact CG-CD1 4.45Å; F293-I296 HydrophobicContact CB-CB 4.18Å; F293-I296 HydrophobicContact CB-CD1 3.89Å; F293-I296 HydrophobicContact CB-CG1 4.07Å; F293-I296 HydrophobicContact CG-CD1 4.35Å; F293-I296 PolarHBondContact O-N 2.94Å; P294-I296 PolarHBondContact O-N 3.14Å; I296-L466 HydrophobicContact CD1-CD1 3.65Å; I296-L466 HydrophobicContact CD1-CG 4.15Å; I296-L466 HydrophobicContact CG1-CD1 4.12Å; I296-L466 HydrophobicContact CG1-CG 4.13Å; I296-L466 HydrophobicContact CG2-CB 4.46Å; I296-L466 HydrophobicContact CG2-CD1 4.09Å; I296-L466 HydrophobicContact CG2-CG 4.37Å; I296-F470 HydrophobicContact CG2-CE2 4.01Å; I296-F470 HydrophobicContact CG2-CZ 4.22Å; I296-F470 VanDerWaalsContact O-CE2 3.3Å; I296-F470 WeakPolarHBondContact O-CE2 3.3Å
297	F	96.3	Very high	97.1	Very high	3 Å²	3	32.9 Å²	32.9	1%	0.013	16%	0.159	C	C	.	.	H	α-helix	trans	-111.9	2.7	-167.4	-53.1	-71.9	0	0	0	114.2	Y157 P190 S290 F293 D299 R300 I303 F470	Y157-F297 HydrophobicContact CD1-CE1 4.26Å; Y157-F297 HydrophobicContact CD1-CE2 4.43Å; Y157-F297 AromaticContact CD1-CZ 3.87Å; Y157-F297 HydrophobicContact CD1-CZ 3.87Å; Y157-F297 HydrophobicContact CD2-CE2 4.07Å; Y157-F297 AromaticContact CD2-CZ 3.79Å; Y157-F297 HydrophobicContact CD2-CZ 3.79Å; Y157-F297 HydrophobicContact CE2-CE2 4.32Å; Y157-F297 HydrophobicContact CE2-CZ 4.43Å; Y157-F297 HydrophobicContact CG-CE1 4.15Å; Y157-F297 HydrophobicContact CG-CE2 4.13Å; Y157-F297 AromaticContact CG-CZ 3.46Å; Y157-F297 HydrophobicContact CG-CZ 3.46Å; Y157-F297 VanDerWaalsContact CG-CZ 3.46Å; P190-F297 HydrophobicContact CB-CZ 4.32Å; P190-F297 HydrophobicContact CG-CE1 4.21Å; P190-F297 HydrophobicContact CG-CZ 4.42Å; S290-F297 VanDerWaalsContact O-CD2 3.23Å; S290-F297 WeakPolarHBondContact O-CD2 3.39Å; F293-F297 HydrophobicContact CB-CD2 3.9Å; F293-F297 HydrophobicContact CB-CE2 4.16Å; F293-F297 HydrophobicContact CD2-CD2 4.31Å; F293-F297 HydrophobicContact CD2-CE2 4.08Å; F293-F297 HydrophobicContact CG-CE2 4.48Å; F293-F297 PolarHBondContact O-N 3.21Å; F297-D299 PolarHBondContact O-N 2.99Å; F297-R300 VanDerWaalsContact O-CB 3.31Å; F297-R300 WeakPolarHBondContact O-CB 3.34Å; F297-R300 WeakPolarHBondContact O-CG 3.29Å; F297-R300 PolarHBondContact O-N 3.27Å; F297-I303 HydrophobicContact CB-CD1 3.98Å; F297-I303 HydrophobicContact CD1-CD1 3.36Å; F297-I303 HydrophobicContact CE1-CD1 4.15Å; F297-I303 HydrophobicContact CE1-CG2 4.39Å; F297-I303 HydrophobicContact CG-CD1 3.97Å; F297-F470 HydrophobicContact CD1-CD1 4.25Å; F297-F470 HydrophobicContact CD1-CD2 4.22Å; F297-F470 AromaticContact CD1-CE1 3.61Å; F297-F470 HydrophobicContact CD1-CE1 3.61Å; F297-F470 AromaticContact CD1-CE2 3.59Å; F297-F470 HydrophobicContact CD1-CE2 3.59Å; F297-F470 AromaticContact CD1-CZ 3.25Å; F297-F470 HydrophobicContact CD1-CZ 3.25Å; F297-F470 AromaticContact CE1-CE1 3.5Å; F297-F470 HydrophobicContact CE1-CE1 3.5Å; F297-F470 AromaticContact CE1-CE2 3.88Å; F297-F470 HydrophobicContact CE1-CE2 3.88Å; F297-F470 AromaticContact CE1-CZ 3.12Å; F297-F470 HydrophobicContact CE1-CZ 3.12Å; F297-F470 HydrophobicContact CZ-CZ 4.27Å
298	R	94.1	Very high	97.1	Very high	177 Å²	177	32.9 Å²	32.9	67%	0.668	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.6	-128.6	-174.6	-52.2	177.4	-176.2	166	2.6	110.9	P294	P294-R298 VanDerWaalsContact CA-O 3.29Å; P294-R298 WeakPolarHBondContact CA-O 3.39Å; P294-R298 WeakPolarHBondContact O-CA 3.34Å; P294-R298 PolarHBondContact O-N 3.42Å
299	D	93.8	Very high	97.1	Very high	133 Å²	133	33.2 Å²	33.2	71%	0.711	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.9	6.1	179.6	62.1	-27.5	0	0	0	113.5	F297 T301	F297-D299 PolarHBondContact O-N 2.99Å; D299-T301 PolarHBondContact O-N 2.84Å
300	R	95.8	Very high	96.9	Very high	74 Å²	74	34 Å²	34	28%	0.279	17%	0.169	S	C	.	.			trans	-62	132	179.7	-65.5	-74.8	-65.2	-106	-0.6	110.7	S290 N291 F297 D302 I303 Q471	S290-R300 PolarHBondContact OG-O 2.9Å; S290-R300 VanDerWaalsContact OG-O 3.05Å; N291-R300 WeakPolarHBondContact CB-O 3.22Å; N291-R300 PolarHBondContact N-O 2.82Å; F297-R300 VanDerWaalsContact O-CB 3.31Å; F297-R300 WeakPolarHBondContact O-CB 3.34Å; F297-R300 WeakPolarHBondContact O-CG 3.29Å; F297-R300 PolarHBondContact O-N 3.27Å; R300-D302 IonicContact CZ-OD1 2.8Å; R300-D302 IonicContact CZ-OD2 2.85Å; R300-D302 IonicContact NE-OD1 3.73Å; R300-D302 PolarHBondContact NE-OD1 3.21Å; R300-D302 IonicContact NE-OD2 2.73Å; R300-D302 IonicContact NH2-OD1 3.67Å; R300-D302 PolarHBondContact NH2-OD1 2.93Å; R300-D302 IonicContact NH2-OD2 3.9Å; R300-D302 PolarHBondContact NH2-OD2 3.14Å; R300-I303 HydrophobicContact CB-CD1 3.83Å; R300-I303 HydrophobicContact CB-CG1 4.06Å; R300-I303 HydrophobicContact CG-CD1 4.32Å; R300-Q471 PolarHBondContact NH1-O 3.31Å
301	T	97	Very high	96.7	Very high	50 Å²	50	34 Å²	34	31%	0.307	17%	0.169	S	C	.	.			trans	-117.2	-3.4	180	55.7	0	0	0	0	113.1	N291 D299 Y329 P330	N291-T301 HydrophobicContact CB-CG2 4.13Å; N291-T301 WeakPolarHBondContact ND2-CG2 3.37Å; D299-T301 PolarHBondContact O-N 2.84Å; T301-Y329 HydrophobicContact CG2-CD1 4.04Å; T301-Y329 HydrophobicContact CG2-CE1 3.42Å; T301-Y329 VanDerWaalsContact CG2-CE1 3.42Å; T301-P330 WeakPolarHBondContact O-CD 3.04Å
302	D	95.8	Very high	96.4	Very high	86 Å²	86	32.8 Å²	32.8	46%	0.46	16%	0.162	S	C	.	.			trans	-101.2	-3.6	-170.5	64.6	-52.1	0	0	0	113.3	R300 Q304	R300-D302 IonicContact CZ-OD1 2.8Å; R300-D302 IonicContact CZ-OD2 2.85Å; R300-D302 IonicContact NE-OD1 3.73Å; R300-D302 PolarHBondContact NE-OD1 3.21Å; R300-D302 IonicContact NE-OD2 2.73Å; R300-D302 IonicContact NH2-OD1 3.67Å; R300-D302 PolarHBondContact NH2-OD1 2.93Å; R300-D302 IonicContact NH2-OD2 3.9Å; R300-D302 PolarHBondContact NH2-OD2 3.14Å; D302-Q304 PolarHBondContact O-N 2.8Å
303	I	96.4	Very high	96.1	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-76.7	122.4	-178.2	-52.1	177.8	0	0	0	109.4	P155 Y157 F297 R300 F470	P155-I303 HydrophobicContact CB-CG2 4.26Å; P155-I303 HydrophobicContact CG-CG1 4.31Å; P155-I303 HydrophobicContact CG-CG2 4.39Å; Y157-I303 HydrophobicContact CD1-CG2 3.82Å; Y157-I303 HydrophobicContact CE1-CG2 4.38Å; F297-I303 HydrophobicContact CB-CD1 3.98Å; F297-I303 HydrophobicContact CD1-CD1 3.36Å; F297-I303 HydrophobicContact CE1-CD1 4.15Å; F297-I303 HydrophobicContact CE1-CG2 4.39Å; F297-I303 HydrophobicContact CG-CD1 3.97Å; R300-I303 HydrophobicContact CB-CD1 3.83Å; R300-I303 HydrophobicContact CB-CG1 4.06Å; R300-I303 HydrophobicContact CG-CD1 4.32Å; I303-F470 HydrophobicContact CD1-CD1 3.88Å; I303-F470 HydrophobicContact CD1-CE1 4.15Å; I303-F470 HydrophobicContact CD1-CG 4.38Å
304	Q	96.4	Very high	96	Very high	22 Å²	22	35 Å²	35	10%	0.103	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	138.3	-178.7	-176.3	59.9	50.8	0	0	111.2	V146 F156 Y157 D302 K331	V146-Q304 HydrophobicContact CG2-CG 3.94Å; F156-Q304 CarbonylContact C-O 3.33Å; F156-Q304 WeakPolarHBondContact CA-O 2.99Å; F156-Q304 HydrophobicContact CB-CB 3.96Å; F156-Q304 HydrophobicContact CB-CG 4.49Å; F156-Q304 VanDerWaalsContact CB-O 3.26Å; F156-Q304 WeakPolarHBondContact CB-O 3.41Å; Y157-Q304 VanDerWaalsContact CD1-O 3.22Å; Y157-Q304 WeakPolarHBondContact CD1-O 3.35Å; Y157-Q304 PolarHBondContact N-O 3.36Å; D302-Q304 PolarHBondContact O-N 2.8Å; Q304-K331 PolarHBondContact NE2-O 3.08Å
305	C	98.8	Very high	95.9	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.007	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	137.5	174.5	-174.6	0	0	0	0	110.1	Y157 Y159 S288 P332 A333	Y157-C305 HydrophobicContact CD1-CB 4.42Å; Y157-C305 HydrophobicContact CE1-CB 3.66Å; Y157-C305 HydrophobicContact CE2-CB 4.35Å; Y159-C305 VanDerWaalsContact CB-SG 3.56Å; S288-C305 WeakPolarHBondContact O-CB 3.25Å; C305-P332 HydrophobicContact CB-CB 4.14Å; C305-A333 PolarHBondContact O-N 2.87Å
306	L	98.9	Very high	96	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	126.2	170.9	174	62.6	0	0	0	110.3	M143 V146 F156 Y157 L158 Y159 P308 A333 L335	M143-L306 HydrophobicContact CE-CD2 4Å; M143-L306 HydrophobicContact SD-CD1 3.71Å; M143-L306 HydrophobicContact SD-CD2 3.81Å; M143-L306 HydrophobicContact SD-CG 4.44Å; V146-L306 HydrophobicContact CG1-CD2 4.28Å; V146-L306 HydrophobicContact CG2-CB 4.32Å; V146-L306 HydrophobicContact CG2-CD1 4.37Å; F156-L306 HydrophobicContact CD2-CB 4.1Å; F156-L306 HydrophobicContact CE2-CB 4.19Å; F156-L306 HydrophobicContact CE2-CD2 4.05Å; Y157-L306 PolarHBondContact O-N 3.16Å; L158-L306 WeakPolarHBondContact CA-O 3.23Å; L158-L306 HydrophobicContact CD2-CB 4.04Å; L158-L306 HydrophobicContact CD2-CD2 3.85Å; L158-L306 HydrophobicContact CD2-CG 3.97Å; Y159-L306 PolarHBondContact N-O 3.16Å; L306-P308 WeakPolarHBondContact O-CD 3.37Å; L306-A333 CarbonylContact C-O 3.5Å; L306-A333 WeakPolarHBondContact CA-O 3.49Å; L306-A333 HydrophobicContact CD1-CB 4.01Å; L306-L335 HydrophobicContact CD1-CD1 4.07Å; L306-L335 HydrophobicContact CD1-CG 4.05Å; L306-L335 HydrophobicContact CD2-CD1 4.14Å; L306-L335 HydrophobicContact CG-CD1 4.47Å
307	I	98.9	Very high	96	Very high	1 Å²	1	31 Å²	31	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	101.1	-171.4	-53.1	177.6	0	0	0	110.6	Y159 C309 F317 P332 A333 L334 L335	Y159-I307 HydrophobicContact CD1-CD1 3.59Å; Y159-I307 HydrophobicContact CD1-CG1 3.86Å; Y159-I307 HydrophobicContact CE1-CD1 4.03Å; Y159-I307 HydrophobicContact CG-CG1 4.42Å; Y159-I307 WeakPolarHBondContact O-CA 3.23Å; Y159-I307 WeakPolarHBondContact O-CG2 3.36Å; I307-C309 HydrophobicContact CG2-CB 4.37Å; I307-F317 HydrophobicContact CD1-CD1 3.52Å; I307-F317 HydrophobicContact CD1-CE1 3.5Å; I307-F317 VanDerWaalsContact CD1-CE1 3.5Å; I307-F317 HydrophobicContact CD1-CG 4.13Å; I307-F317 HydrophobicContact CD1-CZ 4.03Å; I307-F317 HydrophobicContact CG2-CD2 4.34Å; I307-F317 HydrophobicContact CG2-CE1 4.39Å; I307-F317 HydrophobicContact CG2-CE2 3.81Å; I307-F317 HydrophobicContact CG2-CZ 3.84Å; I307-P332 HydrophobicContact CD1-CB 3.76Å; I307-P332 HydrophobicContact CD1-CG 4.4Å; I307-P332 HydrophobicContact CG1-CB 4.42Å; I307-A333 PolarHBondContact N-O 3.22Å; I307-L334 HydrophobicContact CB-CD2 4.24Å; I307-L334 HydrophobicContact CB-CG 4.26Å; I307-L334 HydrophobicContact CG2-CD2 4.38Å; I307-L334 VanDerWaalsContact O-CA 3.32Å; I307-L334 WeakPolarHBondContact O-CA 3.35Å; I307-L335 PolarHBondContact O-N 3.14Å
308	P	98.7	Very high	96.1	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	119.3	165	31	-34	0	0	0	110.7	F137 T160 F179 T180 L183 L306 L335	F137-P308 HydrophobicContact CE1-CB 4.03Å; F137-P308 HydrophobicContact CZ-CB 4.29Å; T160-P308 PolarHBondContact OG1-O 3.42Å; F179-P308 HydrophobicContact CD1-CB 3.94Å; F179-P308 HydrophobicContact CE1-CB 4.45Å; T180-P308 HydrophobicContact CG2-CG 4.03Å; T180-P308 WeakPolarHBondContact OG1-CG 3.37Å; L183-P308 HydrophobicContact CD1-CB 4.05Å; L183-P308 HydrophobicContact CD1-CG 4.05Å; L306-P308 WeakPolarHBondContact O-CD 3.37Å; P308-L335 WeakPolarHBondContact CA-O 3.07Å
309	C	97.4	Very high	96.2	Very high	9 Å²	9	28.7 Å²	28.7	6%	0.061	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	172.2	178.2	60.8	0	0	0	0	111.2	I307 Q313 L335 H336 S337	I307-C309 HydrophobicContact CG2-CB 4.37Å; C309-Q313 HydrophobicContact CB-CB 4.11Å; C309-Q313 HydrophobicContact CB-CG 4.34Å; C309-L335 PolarHBondContact N-O 3.4Å; C309-H336 CarbonylContact O-C 3.4Å; C309-H336 VanDerWaalsContact O-CA 3.25Å; C309-H336 WeakPolarHBondContact O-CA 3.28Å; C309-S337 PolarHBondContact O-N 3.03Å
310	A	94.8	Very high	96.5	Very high	19 Å²	19	22.4 Å²	22.4	16%	0.157	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	152.9	167.4	0	0	0	0	0	110.5	D312 Q313 S337 F339	A310-D312 WeakPolarHBondContact CB-OD1 3.36Å; A310-D312 PolarHBondContact O-N 3.27Å; A310-D312 VanDerWaalsContact O-N 3.16Å; A310-Q313 WeakPolarHBondContact O-CB 3.39Å; A310-Q313 PolarHBondContact O-N 2.87Å; A310-S337 WeakPolarHBondContact CA-OG 3.29Å; A310-F339 HydrophobicContact CB-CE1 4.44Å
311	I	94.2	Very high	96.6	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-60.7	-26.1	-172.4	-171.3	64.4	0	0	0	114.1	Y100 L103 F107 F138 Q313 D314 H336 S337 F339	Y100-I311 HydrophobicContact CE1-CG2 4.31Å; L103-I311 HydrophobicContact CD2-CB 4.28Å; L103-I311 HydrophobicContact CD2-CG1 3.63Å; L103-I311 HydrophobicContact CD2-CG2 3.64Å; L103-I311 HydrophobicContact CG-CG1 4.19Å; F107-I311 HydrophobicContact CD2-CD1 3.92Å; F107-I311 HydrophobicContact CD2-CG1 3.96Å; F107-I311 HydrophobicContact CE2-CD1 4.45Å; F107-I311 HydrophobicContact CE2-CG1 4.06Å; F107-I311 WeakPolarHBondContact CE2-O 3.28Å; F138-I311 HydrophobicContact CE1-CB 4.13Å; F138-I311 HydrophobicContact CE1-CG2 4.4Å; F138-I311 HydrophobicContact CZ-CB 3.98Å; F138-I311 HydrophobicContact CZ-CD1 4.2Å; F138-I311 HydrophobicContact CZ-CG1 3.95Å; F138-I311 HydrophobicContact CZ-CG2 4.29Å; I311-Q313 PolarHBondContact O-N 3.41Å; I311-Q313 VanDerWaalsContact O-N 3.15Å; I311-D314 HydrophobicContact CD1-CB 4.25Å; I311-D314 VanDerWaalsContact O-CB 3.28Å; I311-D314 WeakPolarHBondContact O-CB 3.41Å; I311-D314 PolarHBondContact O-N 3.22Å; I311-D314 VanDerWaalsContact O-N 3.09Å; I311-H336 HydrophobicContact CB-CB 4.08Å; I311-H336 HydrophobicContact CD1-CB 3.65Å; I311-H336 VanDerWaalsContact CD1-CG 3.41Å; I311-H336 VanDerWaalsContact CD1-ND1 3.29Å; I311-H336 WeakPolarHBondContact CD1-ND1 3.32Å; I311-H336 HydrophobicContact CG1-CB 4.45Å; I311-S337 PolarHBondContact N-O 3.4Å; I311-F339 HydrophobicContact CG2-CE1 4.08Å; I311-F339 HydrophobicContact CG2-CE2 3.78Å; I311-F339 HydrophobicContact CG2-CZ 3.44Å; I311-F339 VanDerWaalsContact CG2-CZ 3.44Å
312	D	90.6	Very high	96.6	Very high	3 Å²	3	21.3 Å²	21.3	2%	0.016	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-61.9	-18.7	175.2	61.4	-40.6	0	0	0	113.8	V85 D86 P87 A310 P315 F339 K349	V85-D312 HydrophobicContact CG1-CB 4.08Å; D86-D312 WeakPolarHBondContact O-CB 3.45Å; P87-D312 WeakPolarHBondContact CA-O 3.4Å; P87-D312 WeakPolarHBondContact CG-O 3.34Å; A310-D312 WeakPolarHBondContact CB-OD1 3.36Å; A310-D312 PolarHBondContact O-N 3.27Å; A310-D312 VanDerWaalsContact O-N 3.16Å; D312-P315 VanDerWaalsContact O-CD 3.26Å; D312-P315 WeakPolarHBondContact O-CD 3.44Å; D312-F339 HydrophobicContact CB-CE1 3.69Å; D312-F339 HydrophobicContact CB-CZ 3.82Å; D312-K349 IonicContact OD2-NZ 3.03Å; D312-K349 PolarHBondContact OD2-NZ 2.94Å
313	Q	94.3	Very high	96.8	Very high	43 Å²	43	17.3 Å²	17.3	20%	0.201	8%	0.083	C	C	.	.	G	3₁₀ helix	trans	-86.6	-12.2	177.9	-56.6	-57.6	-54.9	0	0	113	C309 A310 I311 P315 Y316 F317	C309-Q313 HydrophobicContact CB-CB 4.11Å; C309-Q313 HydrophobicContact CB-CG 4.34Å; A310-Q313 WeakPolarHBondContact O-CB 3.39Å; A310-Q313 PolarHBondContact O-N 2.87Å; I311-Q313 PolarHBondContact O-N 3.41Å; I311-Q313 VanDerWaalsContact O-N 3.15Å; Q313-P315 VanDerWaalsContact C-N 3.31Å; Q313-Y316 PolarHBondContact O-N 3.47Å; Q313-Y316 VanDerWaalsContact O-N 3.14Å; Q313-F317 HydrophobicContact CB-CD2 4.47Å; Q313-F317 HydrophobicContact CB-CE2 4.13Å; Q313-F317 WeakPolarHBondContact O-CD2 3.35Å
314	D	95.4	Very high	96.9	Very high	2 Å²	2	17.3 Å²	17.3	1%	0.011	8%	0.083	C	C	.	.	H	α-helix	trans	-53.7	-36.3	179.6	-175.9	68	0	0	0	114.1	F107 R141 I311 Y316 F317 R318 H336	F107-D314 HydrophobicContact CD2-CB 3.86Å; F107-D314 HydrophobicContact CE2-CB 4.16Å; R141-D314 IonicContact CZ-OD1 3.36Å; R141-D314 IonicContact CZ-OD2 3.5Å; R141-D314 IonicContact NE-OD1 2.71Å; R141-D314 PolarHBondContact NE-OD1 2.91Å; R141-D314 IonicContact NE-OD2 2.68Å; R141-D314 IonicContact NH2-OD1 3.56Å; R141-D314 PolarHBondContact NH2-OD1 2.76Å; R141-D314 IonicContact NH2-OD2 3.46Å; R141-D314 PolarHBondContact NH2-OD2 3.07Å; I311-D314 HydrophobicContact CD1-CB 4.25Å; I311-D314 VanDerWaalsContact O-CB 3.28Å; I311-D314 WeakPolarHBondContact O-CB 3.41Å; I311-D314 PolarHBondContact O-N 3.22Å; I311-D314 VanDerWaalsContact O-N 3.09Å; D314-Y316 VanDerWaalsContact C-N 3.32Å; D314-Y316 PolarHBondContact O-N 2.82Å; D314-F317 CarbonylContact O-C 3.53Å; D314-F317 PolarHBondContact O-N 3.32Å; D314-R318 WeakPolarHBondContact O-CB 3.48Å; D314-R318 PolarHBondContact O-N 3.33Å; D314-H336 IonicContact OD1-CE1 3.98Å; D314-H336 PolarHBondContact OD1-CE1 3.01Å; D314-H336 VanDerWaalsContact OD1-CE1 3.29Å; D314-H336 IonicContact OD1-NE2 2.9Å; D314-H336 PolarHBondContact OD1-NE2 2.97Å
315	P	94.7	Very high	97	Very high	18 Å²	18	19.9 Å²	19.9	12%	0.117	10%	0.101	C	C	.	.	H	α-helix	trans	-53.6	-41.7	175.1	-29.3	37.8	0	0	0	114.4	I266 F267 D312 Q313 F317 M319	I266-P315 HydrophobicContact CG2-CB 3.74Å; F267-P315 HydrophobicContact CE1-CB 4.33Å; D312-P315 VanDerWaalsContact O-CD 3.26Å; D312-P315 WeakPolarHBondContact O-CD 3.44Å; Q313-P315 VanDerWaalsContact C-N 3.31Å; P315-F317 VanDerWaalsContact C-N 3.32Å; P315-F317 PolarHBondContact O-N 2.98Å; P315-M319 PolarHBondContact O-N 3.14Å; P315-M319 VanDerWaalsContact O-N 3.14Å
316	Y	96.9	Very high	97	Very high	4 Å²	4	26.5 Å²	26.5	2%	0.016	13%	0.126	C	C	.	.	H	α-helix	trans	-61.2	-41.7	174.8	-76.1	-81.6	0	0	0	111.9	P87 F267 F280 P281 Q284 Q313 D314 M319 T320	P87-Y316 HydrophobicContact CB-CD2 4.4Å; P87-Y316 HydrophobicContact CB-CE2 3.69Å; P87-Y316 HydrophobicContact CG-CD2 3.98Å; P87-Y316 HydrophobicContact CG-CE2 3.56Å; F267-Y316 HydrophobicContact CD1-CE1 4.35Å; F267-Y316 HydrophobicContact CD1-CE2 4.36Å; F267-Y316 AromaticContact CE1-CD1 3.62Å; F267-Y316 HydrophobicContact CE1-CD1 3.62Å; F267-Y316 AromaticContact CE1-CD2 3.75Å; F267-Y316 HydrophobicContact CE1-CD2 3.75Å; F267-Y316 AromaticContact CE1-CE1 3.53Å; F267-Y316 HydrophobicContact CE1-CE1 3.53Å; F267-Y316 AromaticContact CE1-CE2 3.66Å; F267-Y316 HydrophobicContact CE1-CE2 3.66Å; F267-Y316 AromaticContact CE1-CG 3.73Å; F267-Y316 HydrophobicContact CE1-CG 3.73Å; F267-Y316 AromaticContact CE1-CZ 3.54Å; F267-Y316 HydrophobicContact CE2-CD1 4.47Å; F267-Y316 HydrophobicContact CE2-CE1 4.46Å; F267-Y316 AromaticContact CZ-CD1 3.41Å; F267-Y316 HydrophobicContact CZ-CD1 3.41Å; F267-Y316 VanDerWaalsContact CZ-CD1 3.41Å; F267-Y316 HydrophobicContact CZ-CD2 4.31Å; F267-Y316 AromaticContact CZ-CE1 3.59Å; F267-Y316 HydrophobicContact CZ-CE1 3.59Å; F267-Y316 HydrophobicContact CZ-CE2 4.45Å; F267-Y316 AromaticContact CZ-CG 3.8Å; F267-Y316 HydrophobicContact CZ-CG 3.8Å; F280-Y316 HydrophobicContact CD1-CE1 4.31Å; F280-Y316 HydrophobicContact CE1-CE1 4.21Å; P281-Y316 HydrophobicContact CB-CD1 3.94Å; P281-Y316 HydrophobicContact CB-CE1 3.83Å; P281-Y316 HydrophobicContact CG-CD1 4.5Å; P281-Y316 HydrophobicContact CG-CE1 3.92Å; Q284-Y316 HydrophobicContact CB-CD1 4.22Å; Q284-Y316 HydrophobicContact CB-CE1 4.48Å; Q284-Y316 HydrophobicContact CG-CD1 4.3Å; Q284-Y316 HydrophobicContact CG-CG 4.46Å; Q313-Y316 PolarHBondContact O-N 3.47Å; Q313-Y316 VanDerWaalsContact O-N 3.14Å; D314-Y316 VanDerWaalsContact C-N 3.32Å; D314-Y316 PolarHBondContact O-N 2.82Å; Y316-M319 WeakPolarHBondContact O-CB 3.47Å; Y316-T320 PolarHBondContact O-N 3.33Å; Y316-T320 PolarHBondContact O-OG1 2.85Å
317	F	98.1	Very high	96.9	Very high	4 Å²	4	27.6 Å²	27.6	2%	0.018	13%	0.132	C	C	.	.	H	α-helix	trans	-85.6	-23.6	-175.1	-59.8	-60.8	0	0	0	113.3	Y159 I307 Q313 D314 P315 T320 R321 L334	Y159-F317 HydrophobicContact CD1-CE1 4.48Å; Y159-F317 AromaticContact CE1-CE1 3.69Å; Y159-F317 HydrophobicContact CE1-CE1 3.69Å; Y159-F317 AromaticContact CE1-CZ 3.97Å; Y159-F317 HydrophobicContact CE1-CZ 3.97Å; I307-F317 HydrophobicContact CD1-CD1 3.52Å; I307-F317 HydrophobicContact CD1-CE1 3.5Å; I307-F317 VanDerWaalsContact CD1-CE1 3.5Å; I307-F317 HydrophobicContact CD1-CG 4.13Å; I307-F317 HydrophobicContact CD1-CZ 4.03Å; I307-F317 HydrophobicContact CG2-CD2 4.34Å; I307-F317 HydrophobicContact CG2-CE1 4.39Å; I307-F317 HydrophobicContact CG2-CE2 3.81Å; I307-F317 HydrophobicContact CG2-CZ 3.84Å; Q313-F317 HydrophobicContact CB-CD2 4.47Å; Q313-F317 HydrophobicContact CB-CE2 4.13Å; Q313-F317 WeakPolarHBondContact O-CD2 3.35Å; D314-F317 CarbonylContact O-C 3.53Å; D314-F317 PolarHBondContact O-N 3.32Å; P315-F317 VanDerWaalsContact C-N 3.32Å; P315-F317 PolarHBondContact O-N 2.98Å; F317-T320 WeakPolarHBondContact O-CB 3.46Å; F317-T320 PolarHBondContact O-N 3.36Å; F317-R321 VanDerWaalsContact O-CB 3.32Å; F317-R321 WeakPolarHBondContact O-CB 3.42Å; F317-R321 WeakPolarHBondContact O-CD 3.45Å; F317-R321 WeakPolarHBondContact O-CG 3.48Å; F317-R321 PolarHBondContact O-N 3.27Å; F317-L334 HydrophobicContact CB-CD1 3.89Å; F317-L334 HydrophobicContact CB-CD2 3.43Å; F317-L334 VanDerWaalsContact CB-CD2 3.43Å; F317-L334 HydrophobicContact CB-CG 4.22Å; F317-L334 HydrophobicContact CD2-CD2 3.42Å; F317-L334 VanDerWaalsContact CD2-CD2 3.42Å; F317-L334 HydrophobicContact CE2-CD2 4.35Å; F317-L334 HydrophobicContact CG-CD2 3.58Å
318	R	96.7	Very high	96.8	Very high	127 Å²	127	30.5 Å²	30.5	48%	0.479	16%	0.162	S	C	.	.	H	α-helix	trans	-62	-48.6	165.5	-176.8	175.2	172.3	164.9	-3.1	110.3	D314 T320 R321 D322	D314-R318 WeakPolarHBondContact O-CB 3.48Å; D314-R318 PolarHBondContact O-N 3.33Å; R318-T320 VanDerWaalsContact C-N 3.3Å; R318-T320 PolarHBondContact O-N 3.32Å; R318-R321 PolarHBondContact O-N 2.97Å; R318-D322 PolarHBondContact O-N 2.85Å
319	M	97.8	Very high	96.8	Very high	5 Å²	5	31.4 Å²	31.4	3%	0.025	17%	0.165	C	C	.	.	H	α-helix	trans	-56.3	-46.4	171.7	-176.9	-163.2	73.7	0	0	111.2	V258 I266 F267 P281 A285 P315 Y316 R321 D322 V323	V258-M319 HydrophobicContact CB-SD 4.36Å; V258-M319 HydrophobicContact CG1-CG 4.33Å; V258-M319 HydrophobicContact CG1-SD 3.67Å; V258-M319 HydrophobicContact CG2-CE 4.33Å; V258-M319 HydrophobicContact CG2-CG 3.84Å; V258-M319 HydrophobicContact CG2-SD 3.74Å; I266-M319 HydrophobicContact CD1-CB 4.07Å; I266-M319 HydrophobicContact CD1-CG 4.26Å; F267-M319 HydrophobicContact CE2-SD 4.04Å; P281-M319 HydrophobicContact CB-CE 3.65Å; P281-M319 HydrophobicContact CB-SD 3.87Å; P281-M319 WeakPolarHBondContact O-CE 3.43Å; A285-M319 HydrophobicContact CB-CE 4.11Å; P315-M319 PolarHBondContact O-N 3.14Å; P315-M319 VanDerWaalsContact O-N 3.14Å; Y316-M319 WeakPolarHBondContact O-CB 3.47Å; M319-R321 VanDerWaalsContact C-N 3.32Å; M319-R321 PolarHBondContact O-N 3.45Å; M319-D322 PolarHBondContact O-N 3.3Å; M319-V323 WeakPolarHBondContact O-CG2 3.2Å; M319-V323 PolarHBondContact O-N 2.96Å; M319-V323 VanDerWaalsContact O-N 3.1Å
320	T	98.6	Very high	96.9	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.006	17%	0.174	C	C	.	.	H	α-helix	trans	-59.4	-42.5	178.5	-55	0	0	0	0	112.1	A285 F289 Y316 F317 R318 D322 V323 A324 P332	A285-T320 HydrophobicContact CB-CG2 3.98Å; A285-T320 WeakPolarHBondContact CB-OG1 3.31Å; F289-T320 HydrophobicContact CE2-CG2 4.07Å; F289-T320 HydrophobicContact CZ-CG2 3.72Å; Y316-T320 PolarHBondContact O-N 3.33Å; Y316-T320 PolarHBondContact O-OG1 2.85Å; F317-T320 WeakPolarHBondContact O-CB 3.46Å; F317-T320 PolarHBondContact O-N 3.36Å; R318-T320 VanDerWaalsContact C-N 3.3Å; R318-T320 PolarHBondContact O-N 3.32Å; T320-D322 VanDerWaalsContact C-N 3.34Å; T320-D322 PolarHBondContact O-N 2.93Å; T320-V323 PolarHBondContact O-N 3.46Å; T320-A324 WeakPolarHBondContact O-CB 3.11Å; T320-A324 PolarHBondContact O-N 3.43Å; T320-P332 HydrophobicContact CG2-CG 3.88Å
321	R	98.4	Very high	97	Very high	27 Å²	27	35.8 Å²	35.8	10%	0.102	18%	0.184	C	C	.	.	H	α-helix	trans	-68.6	-29.1	178.5	-72.7	170.5	60.5	78	3	113.2	D142 F317 R318 M319 P325 K331 P332	D142-R321 IonicContact OD1-NH2 3.54Å; D142-R321 IonicContact OD2-CZ 2.75Å; D142-R321 IonicContact OD2-NH1 2.75Å; D142-R321 PolarHBondContact OD2-NH1 3.44Å; D142-R321 IonicContact OD2-NH2 3.6Å; D142-R321 PolarHBondContact OD2-NH2 3.17Å; F317-R321 VanDerWaalsContact O-CB 3.32Å; F317-R321 WeakPolarHBondContact O-CB 3.42Å; F317-R321 WeakPolarHBondContact O-CD 3.45Å; F317-R321 WeakPolarHBondContact O-CG 3.48Å; F317-R321 PolarHBondContact O-N 3.27Å; R318-R321 PolarHBondContact O-N 2.97Å; M319-R321 VanDerWaalsContact C-N 3.32Å; M319-R321 PolarHBondContact O-N 3.45Å; R321-P325 WeakPolarHBondContact O-CD 3.33Å; R321-K331 HydrophobicContact CB-CB 4.47Å; R321-K331 HydrophobicContact CB-CD 4.27Å; R321-K331 HydrophobicContact CB-CG 4.37Å; R321-K331 HydrophobicContact CG-CB 4.13Å; R321-K331 VanDerWaalsContact O-CE 3.28Å; R321-K331 WeakPolarHBondContact O-CE 3.28Å; R321-P332 HydrophobicContact CG-CG 3.91Å; R321-P332 PolarHBondContact NH1-O 2.86Å
322	D	98	Very high	97.3	Very high	74 Å²	74	35.8 Å²	35.8	40%	0.396	18%	0.184	S	C	.	.	H	α-helix	trans	-73.6	-33.3	173.3	-72.4	-16.8	0	0	0	111.8	R318 M319 T320	R318-D322 PolarHBondContact O-N 2.85Å; M319-D322 PolarHBondContact O-N 3.3Å; T320-D322 VanDerWaalsContact C-N 3.34Å; T320-D322 PolarHBondContact O-N 2.93Å
323	V	98.6	Very high	97.6	Very high	3 Å²	3	35.6 Å²	35.6	2%	0.018	18%	0.183	C	C	.	.	H	α-helix	trans	-76.8	-41.2	177.1	171.4	0	0	0	0	112.2	I254 H257 V258 M319 T320 R326 I327	I254-V323 HydrophobicContact CB-CG1 4.3Å; I254-V323 HydrophobicContact CG1-CG1 4.03Å; I254-V323 HydrophobicContact CG2-CG1 4.26Å; I254-V323 HydrophobicContact CG2-CG2 4.38Å; H257-V323 HydrophobicContact CB-CG1 4.15Å; H257-V323 HydrophobicContact CB-CG2 4.1Å; V258-V323 HydrophobicContact CG2-CG2 3.6Å; M319-V323 WeakPolarHBondContact O-CG2 3.2Å; M319-V323 PolarHBondContact O-N 2.96Å; M319-V323 VanDerWaalsContact O-N 3.1Å; T320-V323 PolarHBondContact O-N 3.46Å; V323-R326 WeakPolarHBondContact O-CA 3.32Å; V323-R326 VanDerWaalsContact O-CB 3.3Å; V323-R326 WeakPolarHBondContact O-CB 3.45Å; V323-R326 PolarHBondContact O-N 3.38Å; V323-I327 HydrophobicContact CG1-CD1 4.04Å; V323-I327 HydrophobicContact CG1-CG1 4.37Å; V323-I327 HydrophobicContact CG1-CG2 4.14Å; V323-I327 PolarHBondContact O-N 3.46Å
324	A	98.8	Very high	97.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-44.1	-52.8	-173.8	0	0	0	0	0	115.1	F289 T320 R326 I327 G328 Y329 K331	F289-A324 HydrophobicContact CE1-CB 3.79Å; F289-A324 HydrophobicContact CZ-CB 4.04Å; T320-A324 WeakPolarHBondContact O-CB 3.11Å; T320-A324 PolarHBondContact O-N 3.43Å; A324-R326 VanDerWaalsContact C-N 3.28Å; A324-R326 PolarHBondContact O-N 3.16Å; A324-I327 VanDerWaalsContact O-CG1 3.26Å; A324-I327 WeakPolarHBondContact O-CG1 3.29Å; A324-I327 PolarHBondContact O-N 3.13Å; A324-G328 PolarHBondContact O-N 3.48Å; A324-G328 VanDerWaalsContact O-N 3.15Å; A324-Y329 CarbonylContact C-O 3.38Å; A324-Y329 PolarHBondContact O-N 3.01Å; A324-K331 HydrophobicContact CB-CG 4.09Å
325	P	98.2	Very high	98	Very high	76 Å²	76	33.5 Å²	33.5	49%	0.494	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-66.5	-27.6	179.1	26.5	-35.3	0	0	0	113.4	R321 I327 G328	R321-P325 WeakPolarHBondContact O-CD 3.33Å; P325-I327 VanDerWaalsContact C-N 3.25Å; P325-I327 PolarHBondContact O-N 3.46Å; P325-G328 PolarHBondContact O-N 3.35Å
326	R	98.2	Very high	98.2	Very high	140 Å²	140	32.6 Å²	32.6	53%	0.528	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-71	-24	179	-57	178.7	179	-176	-3.4	112.4	H257 V323 A324	H257-R326 PolarHBondContact O-NH1 2.94Å; V323-R326 WeakPolarHBondContact O-CA 3.32Å; V323-R326 VanDerWaalsContact O-CB 3.3Å; V323-R326 WeakPolarHBondContact O-CB 3.45Å; V323-R326 PolarHBondContact O-N 3.38Å; A324-R326 VanDerWaalsContact C-N 3.28Å; A324-R326 PolarHBondContact O-N 3.16Å
327	I	97.9	Very high	98.2	Very high	23 Å²	23	32.6 Å²	32.6	12%	0.118	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-104.8	4.8	177.1	64.4	175.6	0	0	0	112.8	K253 I254 H257 F289 V323 A324 P325 Y329	K253-I327 HydrophobicContact CB-CG2 4.08Å; I254-I327 HydrophobicContact CG1-CD1 4.42Å; H257-I327 VanDerWaalsContact CD2-CG2 3.41Å; H257-I327 WeakPolarHBondContact CD2-CG2 3.38Å; F289-I327 HydrophobicContact CD2-CD1 4.21Å; F289-I327 HydrophobicContact CE1-CD1 4.29Å; F289-I327 HydrophobicContact CE2-CD1 3.78Å; F289-I327 HydrophobicContact CZ-CD1 3.82Å; V323-I327 HydrophobicContact CG1-CD1 4.04Å; V323-I327 HydrophobicContact CG1-CG1 4.37Å; V323-I327 HydrophobicContact CG1-CG2 4.14Å; V323-I327 PolarHBondContact O-N 3.46Å; A324-I327 VanDerWaalsContact O-CG1 3.26Å; A324-I327 WeakPolarHBondContact O-CG1 3.29Å; A324-I327 PolarHBondContact O-N 3.13Å; P325-I327 VanDerWaalsContact C-N 3.25Å; P325-I327 PolarHBondContact O-N 3.46Å; I327-Y329 HydrophobicContact CB-CD2 4.47Å; I327-Y329 HydrophobicContact CD1-CD2 3.28Å; I327-Y329 HydrophobicContact CD1-CE2 3.62Å; I327-Y329 HydrophobicContact CD1-CG 4.14Å; I327-Y329 HydrophobicContact CG1-CD2 3.57Å; I327-Y329 HydrophobicContact CG1-CE2 4.09Å; I327-Y329 HydrophobicContact CG1-CG 3.93Å; I327-Y329 WeakPolarHBondContact O-CD1 3.46Å
328	G	97.6	Very high	98	Very high	62 Å²	62	33.3 Å²	33.3	64%	0.639	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.4	23.7	175.1	0	0	0	0	0	114.9	A324 P325	A324-G328 PolarHBondContact O-N 3.48Å; A324-G328 VanDerWaalsContact O-N 3.15Å; P325-G328 PolarHBondContact O-N 3.35Å
329	Y	98.3	Very high	97.8	Very high	19 Å²	19	28.4 Å²	28.4	8%	0.075	16%	0.155	C	C	.	.			trans	-113.8	156.8	-175.5	-61.8	-15.4	0	0	0	112	N250 K253 F289 N291 T301 A324 I327	N250-Y329 VanDerWaalsContact OD1-CE2 3.29Å; N250-Y329 WeakPolarHBondContact OD1-CE2 3.03Å; N250-Y329 PolarHBondContact OD1-OH 2.88Å; K253-Y329 PolarHBondContact NZ-OH 2.96Å; F289-Y329 HydrophobicContact CB-CD2 3.8Å; F289-Y329 HydrophobicContact CB-CE2 4.02Å; F289-Y329 AromaticContact CD1-CD2 3.4Å; F289-Y329 HydrophobicContact CD1-CD2 3.4Å; F289-Y329 HydrophobicContact CD1-CE2 4.39Å; F289-Y329 AromaticContact CD1-CG 3.97Å; F289-Y329 HydrophobicContact CD1-CG 3.97Å; F289-Y329 HydrophobicContact CD2-CD2 4.07Å; F289-Y329 HydrophobicContact CD2-CE2 4.44Å; F289-Y329 AromaticContact CE1-CD2 3.93Å; F289-Y329 HydrophobicContact CE1-CD2 3.93Å; F289-Y329 HydrophobicContact CE1-CG 4.41Å; F289-Y329 AromaticContact CG-CD2 3.46Å; F289-Y329 HydrophobicContact CG-CD2 3.46Å; F289-Y329 VanDerWaalsContact CG-CD2 3.46Å; F289-Y329 HydrophobicContact CG-CE2 4.03Å; F289-Y329 HydrophobicContact CG-CG 4.42Å; F289-Y329 HydrophobicContact CZ-CD2 4.46Å; N291-Y329 PolarHBondContact ND2-OH 3.11Å; T301-Y329 HydrophobicContact CG2-CD1 4.04Å; T301-Y329 HydrophobicContact CG2-CE1 3.42Å; T301-Y329 VanDerWaalsContact CG2-CE1 3.42Å; A324-Y329 CarbonylContact C-O 3.38Å; A324-Y329 PolarHBondContact O-N 3.01Å; I327-Y329 HydrophobicContact CB-CD2 4.47Å; I327-Y329 HydrophobicContact CD1-CD2 3.28Å; I327-Y329 HydrophobicContact CD1-CE2 3.62Å; I327-Y329 HydrophobicContact CD1-CG 4.14Å; I327-Y329 HydrophobicContact CG1-CD2 3.57Å; I327-Y329 HydrophobicContact CG1-CE2 4.09Å; I327-Y329 HydrophobicContact CG1-CG 3.93Å; I327-Y329 WeakPolarHBondContact O-CD1 3.46Å
330	P	98	Very high	97.5	Very high	36 Å²	36	29 Å²	29	23%	0.234	16%	0.157	C	C	.	.	P	Polyproline II helix	trans	-64.8	146.7	175.3	27.9	-34	0	0	0	110.9	T301	T301-P330 WeakPolarHBondContact O-CD 3.04Å
331	K	98.6	Very high	97.1	Very high	84 Å²	84	29.3 Å²	29.3	37%	0.365	16%	0.159	S	C	.	.	P	Polyproline II helix	trans	-70.9	130.8	173.5	-69.7	-173.2	179.7	-172.4	0	109	Q304 R321 A324	Q304-K331 PolarHBondContact NE2-O 3.08Å; R321-K331 HydrophobicContact CB-CB 4.47Å; R321-K331 HydrophobicContact CB-CD 4.27Å; R321-K331 HydrophobicContact CB-CG 4.37Å; R321-K331 HydrophobicContact CG-CB 4.13Å; R321-K331 VanDerWaalsContact O-CE 3.28Å; R321-K331 WeakPolarHBondContact O-CE 3.28Å; A324-K331 HydrophobicContact CB-CG 4.09Å
332	P	98.7	Very high	96.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.155	C	C	.	.	P	Polyproline II helix	trans	-62.9	142.3	173.6	26.1	-34.2	0	0	0	111.1	C305 I307 T320 R321	C305-P332 HydrophobicContact CB-CB 4.14Å; I307-P332 HydrophobicContact CD1-CB 3.76Å; I307-P332 HydrophobicContact CD1-CG 4.4Å; I307-P332 HydrophobicContact CG1-CB 4.42Å; T320-P332 HydrophobicContact CG2-CG 3.88Å; R321-P332 HydrophobicContact CG-CG 3.91Å; R321-P332 PolarHBondContact NH1-O 2.86Å
333	A	98.8	Very high	96.4	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	153.7	171.1	0	0	0	0	0	109.7	R141 D142 V146 C305 L306 I307	R141-A333 CarbonylContact O-C 3.54Å; R141-A333 VanDerWaalsContact O-CA 3.23Å; R141-A333 WeakPolarHBondContact O-CA 3.33Å; R141-A333 WeakPolarHBondContact O-CB 3.35Å; D142-A333 HydrophobicContact CB-CB 4.25Å; V146-A333 HydrophobicContact CG2-CB 3.38Å; C305-A333 PolarHBondContact O-N 2.87Å; L306-A333 CarbonylContact C-O 3.5Å; L306-A333 WeakPolarHBondContact CA-O 3.49Å; L306-A333 HydrophobicContact CD1-CB 4.01Å; I307-A333 PolarHBondContact N-O 3.22Å
334	L	98.8	Very high	96	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	149.4	-175.5	-66.7	108.8	0	0	0	112.3	H140 R141 I307 F317 H336	H140-L334 CarbonylContact C-O 3.39Å; H140-L334 WeakPolarHBondContact CA-O 3.32Å; H140-L334 WeakPolarHBondContact CB-O 3.38Å; R141-L334 HydrophobicContact CB-CB 4.23Å; R141-L334 HydrophobicContact CB-CD1 3.94Å; R141-L334 HydrophobicContact CG-CB 4.44Å; R141-L334 HydrophobicContact CG-CD1 4.12Å; R141-L334 PolarHBondContact N-O 3.4Å; R141-L334 PolarHBondContact O-N 3.24Å; I307-L334 HydrophobicContact CB-CD2 4.24Å; I307-L334 HydrophobicContact CB-CG 4.26Å; I307-L334 HydrophobicContact CG2-CD2 4.38Å; I307-L334 VanDerWaalsContact O-CA 3.32Å; I307-L334 WeakPolarHBondContact O-CA 3.35Å; F317-L334 HydrophobicContact CB-CD1 3.89Å; F317-L334 HydrophobicContact CB-CD2 3.43Å; F317-L334 VanDerWaalsContact CB-CD2 3.43Å; F317-L334 HydrophobicContact CB-CG 4.22Å; F317-L334 HydrophobicContact CD2-CD2 3.42Å; F317-L334 VanDerWaalsContact CD2-CD2 3.42Å; F317-L334 HydrophobicContact CE2-CD2 4.35Å; F317-L334 HydrophobicContact CG-CD2 3.58Å; L334-H336 WeakPolarHBondContact CB-NE2 3.2Å
335	L	98.8	Very high	95.3	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	124.1	164.5	-70.8	165.9	0	0	0	107.2	I112 F137 H140 M143 F179 L183 L306 I307 P308 C309	I112-L335 HydrophobicContact CD1-CD2 3.66Å; I112-L335 HydrophobicContact CG1-CD2 4.44Å; F137-L335 HydrophobicContact CD1-CB 3.79Å; F137-L335 HydrophobicContact CE1-CB 4.18Å; F137-L335 WeakPolarHBondContact CE1-O 3.42Å; H140-L335 HydrophobicContact CB-CD2 3.83Å; M143-L335 HydrophobicContact CB-CD2 4.34Å; M143-L335 HydrophobicContact CG-CD2 4.08Å; M143-L335 HydrophobicContact SD-CD1 3.93Å; M143-L335 HydrophobicContact SD-CD2 4.12Å; M143-L335 HydrophobicContact SD-CG 4.12Å; F179-L335 HydrophobicContact CE1-CB 4.28Å; F179-L335 HydrophobicContact CE1-CD1 3.82Å; F179-L335 HydrophobicContact CZ-CD1 4.25Å; L183-L335 HydrophobicContact CD1-CD1 4Å; L183-L335 HydrophobicContact CD2-CD1 4.35Å; L306-L335 HydrophobicContact CD1-CD1 4.07Å; L306-L335 HydrophobicContact CD1-CG 4.05Å; L306-L335 HydrophobicContact CD2-CD1 4.14Å; L306-L335 HydrophobicContact CG-CD1 4.47Å; I307-L335 PolarHBondContact O-N 3.14Å; P308-L335 WeakPolarHBondContact CA-O 3.07Å; C309-L335 PolarHBondContact N-O 3.4Å
336	H	98.5	Very high	94.6	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	128.9	-174.8	-52.7	131.2	0	0	0	112.2	F137 F138 S139 C309 I311 D314 L334	F137-H336 CarbonylContact C-O 3.55Å; F137-H336 VanDerWaalsContact CA-O 3.28Å; F137-H336 WeakPolarHBondContact CA-O 3.48Å; F137-H336 VanDerWaalsContact CD1-C 3.47Å; F138-H336 WeakPolarHBondContact CD1-O 3.35Å; F138-H336 HydrophobicContact CE1-CB 4.3Å; F138-H336 PolarHBondContact N-O 3.13Å; S139-H336 PolarHBondContact O-N 3.42Å; S139-H336 WeakPolarHBondContact OG-CB 3.4Å; S139-H336 PolarHBondContact OG-ND1 3.48Å; C309-H336 CarbonylContact O-C 3.4Å; C309-H336 VanDerWaalsContact O-CA 3.25Å; C309-H336 WeakPolarHBondContact O-CA 3.28Å; I311-H336 HydrophobicContact CB-CB 4.08Å; I311-H336 HydrophobicContact CD1-CB 3.65Å; I311-H336 VanDerWaalsContact CD1-CG 3.41Å; I311-H336 VanDerWaalsContact CD1-ND1 3.29Å; I311-H336 WeakPolarHBondContact CD1-ND1 3.32Å; I311-H336 HydrophobicContact CG1-CB 4.45Å; D314-H336 IonicContact OD1-CE1 3.98Å; D314-H336 PolarHBondContact OD1-CE1 3.01Å; D314-H336 VanDerWaalsContact OD1-CE1 3.29Å; D314-H336 IonicContact OD1-NE2 2.9Å; D314-H336 PolarHBondContact OD1-NE2 2.97Å; L334-H336 WeakPolarHBondContact CB-NE2 3.2Å
337	S	97.5	Very high	93.7	Very high	3 Å²	3	23.9 Å²	23.9	2%	0.021	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	153.6	170.2	80.8	0	0	0	0	112.5	I136 C309 A310 I311	I136-S337 CarbonylContact O-C 3.18Å; I136-S337 WeakPolarHBondContact O-CA 3.34Å; C309-S337 PolarHBondContact O-N 3.03Å; A310-S337 WeakPolarHBondContact CA-OG 3.29Å; I311-S337 PolarHBondContact N-O 3.4Å
338	T	94.3	Very high	92.3	Very high	19 Å²	19	26.7 Å²	26.7	12%	0.117	16%	0.158	C	C	.	.	P	Polyproline II helix	trans	-63	164.7	160.3	59.5	0	0	0	0	110.3	Y100 I136 F138	Y100-T338 HydrophobicContact CD1-CG2 4.18Å; Y100-T338 HydrophobicContact CD2-CG2 3.81Å; Y100-T338 HydrophobicContact CE1-CG2 3.9Å; Y100-T338 HydrophobicContact CE2-CG2 3.52Å; Y100-T338 HydrophobicContact CG-CG2 4.13Å; Y100-T338 VanDerWaalsContact CZ-CB 3.46Å; Y100-T338 WeakPolarHBondContact OH-CB 3.37Å; I136-T338 PolarHBondContact O-N 2.91Å; I136-T338 PolarHBondContact O-OG1 2.94Å; F138-T338 HydrophobicContact CD1-CG2 3.57Å; F138-T338 HydrophobicContact CE1-CG2 4.08Å; F138-T338 HydrophobicContact CG-CG2 4.21Å
339	F	91	Very high	91	Very high	25 Å²	25	27.7 Å²	27.7	11%	0.11	14%	0.144	C	C	.	.	P	Polyproline II helix	trans	-74.3	135.7	171.6	-59.2	-61	0	0	0	110.9	V85 V90 I98 Y100 A310 I311 D312	V85-F339 HydrophobicContact CG1-CE2 4.17Å; V85-F339 HydrophobicContact CG1-CZ 3.71Å; V85-F339 HydrophobicContact CG2-CE2 4.17Å; V90-F339 HydrophobicContact CB-CE2 4.36Å; V90-F339 HydrophobicContact CB-CZ 4.47Å; V90-F339 HydrophobicContact CG1-CD2 3.65Å; V90-F339 HydrophobicContact CG1-CE2 3.53Å; V90-F339 HydrophobicContact CG1-CG 4.3Å; V90-F339 HydrophobicContact CG1-CZ 4.12Å; V90-F339 HydrophobicContact CG2-CD1 4.26Å; V90-F339 HydrophobicContact CG2-CD2 4.37Å; V90-F339 HydrophobicContact CG2-CE1 3.73Å; V90-F339 HydrophobicContact CG2-CE2 3.84Å; V90-F339 HydrophobicContact CG2-CZ 3.49Å; V90-F339 VanDerWaalsContact CG2-CZ 3.49Å; I98-F339 HydrophobicContact CG1-CD2 3.99Å; I98-F339 HydrophobicContact CG1-CE2 4.1Å; Y100-F339 HydrophobicContact CE1-CD2 4.23Å; Y100-F339 HydrophobicContact CE1-CE2 4.42Å; Y100-F339 WeakPolarHBondContact OH-CD2 3.41Å; Y100-F339 PolarHBondContact OH-N 3.27Å; A310-F339 HydrophobicContact CB-CE1 4.44Å; I311-F339 HydrophobicContact CG2-CE1 4.08Å; I311-F339 HydrophobicContact CG2-CE2 3.78Å; I311-F339 HydrophobicContact CG2-CZ 3.44Å; I311-F339 VanDerWaalsContact CG2-CZ 3.44Å; D312-F339 HydrophobicContact CB-CE1 3.69Å; D312-F339 HydrophobicContact CB-CZ 3.82Å
340	F	91.8	Very high	89.5	Confident	18 Å²	18	27.7 Å²	27.7	8%	0.079	15%	0.145	C	C	.	.	P	Polyproline II helix	trans	-76.8	125.5	169.3	-172.3	-87.6	0	0	0	109.3	V171 I175 M350 Y402 F405 F406	V171-F340 HydrophobicContact CG2-CE1 3.84Å; V171-F340 HydrophobicContact CG2-CZ 3.84Å; I175-F340 HydrophobicContact CD1-CD2 4.01Å; I175-F340 HydrophobicContact CD1-CE2 4.36Å; I175-F340 HydrophobicContact CG1-CB 4.33Å; I175-F340 HydrophobicContact CG1-CD2 3.83Å; I175-F340 HydrophobicContact CG1-CG 4.3Å; F340-M350 HydrophobicContact CD1-CE 3.32Å; F340-M350 HydrophobicContact CD1-SD 4.08Å; F340-M350 HydrophobicContact CE1-CE 3.84Å; F340-M350 HydrophobicContact CE1-SD 4.2Å; F340-M350 HydrophobicContact CG-CE 4.38Å; F340-Y402 HydrophobicContact CD1-CE2 4.4Å; F340-Y402 HydrophobicContact CE1-CD1 4.18Å; F340-Y402 HydrophobicContact CE1-CD2 4.13Å; F340-Y402 AromaticContact CE1-CE1 3.6Å; F340-Y402 HydrophobicContact CE1-CE1 3.6Å; F340-Y402 AromaticContact CE1-CE2 3.53Å; F340-Y402 HydrophobicContact CE1-CE2 3.53Å; F340-Y402 HydrophobicContact CE1-CG 4.43Å; F340-Y402 AromaticContact CE1-CZ 3.22Å; F340-Y402 WeakPolarHBondContact CE1-OH 3.36Å; F340-Y402 HydrophobicContact CE2-CD2 4.4Å; F340-Y402 HydrophobicContact CE2-CG 4.39Å; F340-Y402 AromaticContact CZ-CD1 3.56Å; F340-Y402 HydrophobicContact CZ-CD1 3.56Å; F340-Y402 AromaticContact CZ-CD2 3.7Å; F340-Y402 HydrophobicContact CZ-CD2 3.7Å; F340-Y402 AromaticContact CZ-CE1 3.45Å; F340-Y402 HydrophobicContact CZ-CE1 3.45Å; F340-Y402 VanDerWaalsContact CZ-CE1 3.45Å; F340-Y402 AromaticContact CZ-CE2 3.59Å; F340-Y402 HydrophobicContact CZ-CE2 3.59Å; F340-Y402 AromaticContact CZ-CG 3.68Å; F340-Y402 HydrophobicContact CZ-CG 3.68Å; F340-Y402 AromaticContact CZ-CZ 3.47Å; F340-Y402 VanDerWaalsContact CZ-CZ 3.47Å; F340-F405 HydrophobicContact CD2-CB 4.34Å; F340-F405 AromaticContact CD2-CD1 3.78Å; F340-F405 HydrophobicContact CD2-CD1 3.78Å; F340-F405 AromaticContact CD2-CD2 3.72Å; F340-F405 HydrophobicContact CD2-CD2 3.72Å; F340-F405 AromaticContact CD2-CE1 3.89Å; F340-F405 HydrophobicContact CD2-CE1 3.89Å; F340-F405 AromaticContact CD2-CE2 3.88Å; F340-F405 HydrophobicContact CD2-CE2 3.88Å; F340-F405 AromaticContact CD2-CG 3.69Å; F340-F405 HydrophobicContact CD2-CG 3.69Å; F340-F405 AromaticContact CD2-CZ 3.96Å; F340-F405 HydrophobicContact CD2-CZ 3.96Å; F340-F405 HydrophobicContact CE2-CB 3.97Å; F340-F405 HydrophobicContact CE2-CD1 4.27Å; F340-F405 AromaticContact CE2-CD2 3.74Å; F340-F405 HydrophobicContact CE2-CD2 3.74Å; F340-F405 HydrophobicContact CE2-CE2 4.29Å; F340-F405 AromaticContact CE2-CG 3.74Å; F340-F405 HydrophobicContact CE2-CG 3.74Å; F340-F406 HydrophobicContact CE2-CD2 4.33Å; F340-F406 AromaticContact CE2-CE2 3.37Å; F340-F406 HydrophobicContact CE2-CE2 3.37Å; F340-F406 AromaticContact CE2-CZ 3.67Å; F340-F406 HydrophobicContact CE2-CZ 3.67Å; F340-F406 AromaticContact CZ-CE2 3.45Å; F340-F406 HydrophobicContact CZ-CE2 3.45Å; F340-F406 VanDerWaalsContact CZ-CE2 3.45Å; F340-F406 AromaticContact CZ-CZ 3.96Å; F340-F406 HydrophobicContact CZ-CZ 3.96Å
341	P	90.5	Very high	87.8	Confident	7 Å²	7	28.6 Å²	28.6	5%	0.045	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	149.4	-169.9	25.9	-31.3	0	0	0	112.9	A346 M401 Y402	P341-A346 HydrophobicContact CB-CB 4.25Å; P341-M401 HydrophobicContact CB-SD 4.06Å; P341-M401 HydrophobicContact CG-CB 3.83Å; P341-M401 HydrophobicContact CG-CG 4.49Å; P341-M401 HydrophobicContact CG-SD 3.88Å; P341-Y402 HydrophobicContact CG-CD2 4.05Å; P341-Y402 HydrophobicContact CG-CE2 3.92Å; P341-Y402 VanDerWaalsContact O-CE2 3.23Å; P341-Y402 WeakPolarHBondContact O-CE2 3.48Å; P341-Y402 PolarHBondContact O-OH 2.94Å
342	A	90.7	Very high	86	Confident	2 Å²	2	26.4 Å²	26.4	2%	0.017	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	155.6	166.3	0	0	0	0	0	110.8	Q344 G345 M350 V398	A342-Q344 PolarHBondContact O-N 2.61Å; A342-G345 PolarHBondContact N-O 2.88Å; A342-G345 PolarHBondContact O-N 3.49Å; A342-M350 HydrophobicContact CB-CG 3.6Å; A342-V398 WeakPolarHBondContact O-CG1 3.27Å
343	L	91.7	Very high	84.5	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-38.6	177.2	-75	175	0	0	0	111.1	G345 N356 S357 I359 K371 H375 A376 F377 Y402	L343-G345 VanDerWaalsContact C-N 3.31Å; L343-G345 PolarHBondContact O-N 3.22Å; L343-N356 WeakPolarHBondContact CD1-O 3.27Å; L343-S357 PolarHBondContact N-O 3.19Å; L343-I359 HydrophobicContact CD1-CD1 3.81Å; L343-I359 HydrophobicContact CD1-CG1 4.19Å; L343-I359 HydrophobicContact CD2-CD1 4.39Å; L343-I359 HydrophobicContact CD2-CG1 4.28Å; L343-K371 HydrophobicContact CD1-CB 3.94Å; L343-H375 CarbonylContact C-O 3.55Å; L343-H375 HydrophobicContact CB-CB 4.13Å; L343-H375 HydrophobicContact CD1-CB 4.37Å; L343-A376 HydrophobicContact CD2-CB 4.11Å; L343-A376 CarbonylContact O-C 3.5Å; L343-A376 WeakPolarHBondContact O-CA 3.15Å; L343-F377 PolarHBondContact O-N 3.18Å; L343-Y402 HydrophobicContact CD2-CE1 3.96Å; L343-Y402 HydrophobicContact CD2-CE2 4.42Å
344	Q	88.8	Confident	83.6	Confident	81 Å²	81	33.8 Å²	33.8	38%	0.379	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-10.5	-178.6	-58.5	89.6	-15.4	0	0	114.8	A342 D354 F377	A342-Q344 PolarHBondContact O-N 2.61Å; Q344-D354 PolarHBondContact NE2-OD2 2.93Å; Q344-F377 WeakPolarHBondContact O-CB 3.34Å
345	G	85.4	Confident	82.6	Confident	13 Å²	13	37.2 Å²	37.2	13%	0.134	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	152.3	172.4	178.9	0	0	0	0	0	114.4	A342 L343	A342-G345 PolarHBondContact N-O 2.88Å; A342-G345 PolarHBondContact O-N 3.49Å; L343-G345 VanDerWaalsContact C-N 3.31Å; L343-G345 PolarHBondContact O-N 3.22Å
346	A	82.5	Confident	81.9	Confident	22 Å²	22	40.4 Å²	40.4	18%	0.182	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	-1.9	-178.6	0	0	0	0	0	114.5	P341 T348 M401	P341-A346 HydrophobicContact CB-CB 4.25Å; A346-T348 VanDerWaalsContact C-N 3.31Å; A346-T348 PolarHBondContact O-N 3.42Å; A346-M401 HydrophobicContact CB-CE 4.08Å; A346-M401 HydrophobicContact CB-SD 4.12Å
347	Q	79.1	Confident	81.3	Confident	88 Å²	88	40.7 Å²	40.7	41%	0.411	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	-23.2	-175.1	-75.4	175.4	-41.3	0	0	114	T92 S93 S94	T92-Q347 HydrophobicContact CG2-CB 4.33Å; T92-Q347 HydrophobicContact CG2-CG 4.36Å; T92-Q347 PolarHBondContact N-O 3.24Å; S93-Q347 PolarHBondContact O-NE2 3.28Å; S94-Q347 VanDerWaalsContact O-CG 3.26Å; S94-Q347 WeakPolarHBondContact O-CG 3.42Å
348	T	69.8	Low	80.9	Confident	82 Å²	82	40.5 Å²	40.5	50%	0.503	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	150	-177.2	58.8	0	0	0	0	110.8	A346	A346-T348 VanDerWaalsContact C-N 3.31Å; A346-T348 PolarHBondContact O-N 3.42Å
349	K	69.5	Low	81	Confident	82 Å²	82	39.6 Å²	39.6	36%	0.357	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	141.8	167.7	-174.8	175.3	177.9	-179.6	0	109.3	V90 D312 S351	V90-K349 HydrophobicContact CB-CB 4.08Å; V90-K349 HydrophobicContact CG2-CB 4.27Å; V90-K349 HydrophobicContact CG2-CD 4.15Å; D312-K349 IonicContact OD2-NZ 3.03Å; D312-K349 PolarHBondContact OD2-NZ 2.94Å; K349-S351 PolarHBondContact O-N 3.05Å
350	M	66.2	Low	81.2	Confident	19 Å²	19	39.6 Å²	39.6	9%	0.094	23%	0.232	C	C	.	.			trans	-56.9	136.4	173.4	-76.4	-174.4	-52.5	0	0	111	H170 F340 A342 S358	H170-M350 VanDerWaalsContact CE1-CE 3.4Å; H170-M350 WeakPolarHBondContact CE1-CE 2.92Å; F340-M350 HydrophobicContact CD1-CE 3.32Å; F340-M350 HydrophobicContact CD1-SD 4.08Å; F340-M350 HydrophobicContact CE1-CE 3.84Å; F340-M350 HydrophobicContact CE1-SD 4.2Å; F340-M350 HydrophobicContact CG-CE 4.38Å; A342-M350 HydrophobicContact CB-CG 3.6Å; M350-S358 PolarHBondContact SD-OG 2.57Å
351	S	63.6	Low	81.4	Confident	55 Å²	55	38.8 Å²	38.8	39%	0.385	23%	0.229	S	C	.	.			trans	-110.3	133.4	172.2	-179.3	0	0	0	0	110	K349 S353 D354 S357	K349-S351 PolarHBondContact O-N 3.05Å; S351-S353 PolarHBondContact O-N 3.45Å; S351-S353 WeakPolarHBondContact OG-CB 3.46Å; S351-S353 PolarHBondContact OG-N 2.86Å; S351-S353 VanDerWaalsContact OG-N 3.07Å; S351-S353 PolarHBondContact OG-OG 3.01Å; S351-D354 PolarHBondContact O-N 3.4Å; S351-S357 PolarHBondContact O-OG 3.09Å
352	A	60.5	Low	81.7	Confident	38 Å²	38	42.2 Å²	42.2	31%	0.314	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-12.8	169.1	0	0	0	0	0	113
353	S	67.1	Low	82	Confident	101 Å²	101	42.5 Å²	42.5	71%	0.706	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-20.9	178.4	67.5	0	0	0	0	114.6	S351	S351-S353 PolarHBondContact O-N 3.45Å; S351-S353 WeakPolarHBondContact OG-CB 3.46Å; S351-S353 PolarHBondContact OG-N 2.86Å; S351-S353 VanDerWaalsContact OG-N 3.07Å; S351-S353 PolarHBondContact OG-OG 3.01Å
354	D	78.7	Confident	82.3	Confident	54 Å²	54	46 Å²	46	29%	0.289	27%	0.272	S	S	.	.			trans	-109.7	102	172.8	178	12.1	0	0	0	110	Q344 S351 N356 S357	Q344-D354 PolarHBondContact NE2-OD2 2.93Å; S351-D354 PolarHBondContact O-N 3.4Å; D354-N356 PolarHBondContact O-N 3.35Å; D354-N356 WeakPolarHBondContact OD1-CB 3.2Å; D354-N356 PolarHBondContact OD1-N 3.47Å; D354-S357 WeakPolarHBondContact O-CB 3.42Å; D354-S357 PolarHBondContact O-N 2.91Å; D354-S357 PolarHBondContact O-OG 3.27Å
355	P	77.9	Confident	82.7	Confident	73 Å²	73	44.7 Å²	44.7	47%	0.474	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-16.4	-178.5	26.8	-34.7	0	0	0	113.4	F360 K371	P355-F360 HydrophobicContact CB-CE2 4.45Å; P355-K371 WeakPolarHBondContact O-CE 3.33Å; P355-K371 PolarHBondContact O-NZ 2.76Å
356	N	84.3	Confident	83.3	Confident	66 Å²	66	52 Å²	52	35%	0.353	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-8.7	177.5	-60.8	-50.8	0	0	0	113.2	L343 D354	L343-N356 WeakPolarHBondContact CD1-O 3.27Å; D354-N356 PolarHBondContact O-N 3.35Å; D354-N356 WeakPolarHBondContact OD1-CB 3.2Å; D354-N356 PolarHBondContact OD1-N 3.47Å
357	S	85.8	Confident	84.1	Confident	6 Å²	6	55 Å²	55	4%	0.042	31%	0.313	C	S	.	.	S	Bend	trans	-83.5	-12.9	178	73.5	0	0	0	0	114.4	L343 S351 D354	L343-S357 PolarHBondContact N-O 3.19Å; S351-S357 PolarHBondContact O-OG 3.09Å; D354-S357 WeakPolarHBondContact O-CB 3.42Å; D354-S357 PolarHBondContact O-N 2.91Å; D354-S357 PolarHBondContact O-OG 3.27Å
358	S	90.1	Very high	85	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	29%	0.294	C	S	.	.	S	Bend	trans	-139.4	151.9	-172.4	-50.7	0	0	0	0	113	M350 K371	M350-S358 PolarHBondContact SD-OG 2.57Å; S358-K371 WeakPolarHBondContact O-CD 3.31Å; S358-K371 PolarHBondContact O-NZ 3.09Å
359	I	95.1	Very high	86.4	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	29%	0.294	C	S	.	.			trans	-92.7	111.7	167.5	-55.2	-63.1	0	0	0	108.7	H170 V171 L343 I368 K371 V372 Y402 L438 I442	H170-I359 VanDerWaalsContact CA-O 3.28Å; H170-I359 WeakPolarHBondContact CA-O 3.41Å; H170-I359 WeakPolarHBondContact CB-O 3.43Å; V171-I359 HydrophobicContact CG1-CB 4.34Å; V171-I359 HydrophobicContact CG1-CG2 4.2Å; V171-I359 HydrophobicContact CG2-CB 4.09Å; V171-I359 PolarHBondContact N-O 3.24Å; L343-I359 HydrophobicContact CD1-CD1 3.81Å; L343-I359 HydrophobicContact CD1-CG1 4.19Å; L343-I359 HydrophobicContact CD2-CD1 4.39Å; L343-I359 HydrophobicContact CD2-CG1 4.28Å; I359-I368 HydrophobicContact CG2-CG1 3.99Å; I359-I368 HydrophobicContact CG2-CG2 4.45Å; I359-K371 HydrophobicContact CD1-CB 3.6Å; I359-K371 HydrophobicContact CD1-CD 3.96Å; I359-K371 HydrophobicContact CD1-CG 4.45Å; I359-V372 HydrophobicContact CD1-CG2 4.15Å; I359-Y402 HydrophobicContact CG1-CE1 4.11Å; I359-L438 HydrophobicContact CG1-CD1 4.19Å; I359-I442 HydrophobicContact CG2-CD1 3.37Å
360	F	95.3	Very high	87.7	Confident	24 Å²	24	51.1 Å²	51.1	11%	0.105	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-81.9	150.2	-179.7	-71.9	-95.1	0	0	0	111.1	A168 H170 P355 T362 D363	A168-F360 HydrophobicContact CB-CD1 3.93Å; H170-F360 HydrophobicContact CB-CD1 4.3Å; H170-F360 HydrophobicContact CB-CG 4.5Å; P355-F360 HydrophobicContact CB-CE2 4.45Å; F360-T362 PolarHBondContact O-N 3.2Å; F360-D363 PolarHBondContact N-OD2 3.32Å; F360-D363 WeakPolarHBondContact O-CB 3.42Å; F360-D363 PolarHBondContact O-N 3.4Å
361	L	96.8	Very high	89.2	Confident	2 Å²	2	51 Å²	51	1%	0.01	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-15.2	176.9	-57.3	-179.6	0	0	0	112.4	M169 V171 L174 D221 I442 Q446	M169-L361 HydrophobicContact CB-CD1 3.64Å; M169-L361 HydrophobicContact CB-CG 4.31Å; M169-L361 WeakPolarHBondContact O-CG 3.46Å; M169-L361 PolarHBondContact O-N 3.34Å; V171-L361 HydrophobicContact CG1-CD2 3.9Å; L174-L361 HydrophobicContact CD1-CD1 3.95Å; L174-L361 HydrophobicContact CD1-CD2 3.52Å; L174-L361 HydrophobicContact CD1-CG 4.4Å; L174-L361 HydrophobicContact CD2-CD1 3.68Å; L174-L361 HydrophobicContact CG-CD1 3.9Å; L174-L361 HydrophobicContact CG-CD2 4.06Å; D221-L361 HydrophobicContact CB-CD1 4.25Å; L361-I442 WeakPolarHBondContact O-CG2 3.34Å; L361-Q446 VanDerWaalsContact O-CG 3.27Å; L361-Q446 WeakPolarHBondContact O-CG 3.44Å; L361-Q446 PolarHBondContact O-NE2 3.38Å
362	T	95.7	Very high	90.8	Very high	79 Å²	79	48.4 Å²	48.4	49%	0.485	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-3.2	174	54.2	0	0	0	0	113.5	A168 F360 T364	A168-T362 HydrophobicContact CB-CG2 4.19Å; F360-T362 PolarHBondContact O-N 3.2Å; T362-T364 PolarHBondContact O-N 3.2Å
363	D	96.9	Very high	92.6	Very high	8 Å²	8	49.9 Å²	49.9	4%	0.043	28%	0.276	C	S	.	.			trans	-65	137.4	178.6	-79	-34.7	0	0	0	110.7	F360 Q367 I368 K371 Q446	F360-D363 PolarHBondContact N-OD2 3.32Å; F360-D363 WeakPolarHBondContact O-CB 3.42Å; F360-D363 PolarHBondContact O-N 3.4Å; D363-Q367 HydrophobicContact CB-CB 3.98Å; D363-I368 HydrophobicContact CB-CD1 4.5Å; D363-I368 HydrophobicContact CB-CG1 3.79Å; D363-K371 IonicContact OD1-NZ 2.72Å; D363-K371 PolarHBondContact OD1-NZ 2.87Å; D363-K371 VanDerWaalsContact OD1-NZ 3.1Å; D363-K371 IonicContact OD2-NZ 3.29Å; D363-K371 PolarHBondContact OD2-NZ 3.5Å; D363-Q446 PolarHBondContact O-NE2 3.3Å; D363-Q446 VanDerWaalsContact O-NE2 3.09Å
364	T	98.1	Very high	94	Very high	74 Å²	74	52.5 Å²	52.5	45%	0.454	28%	0.275	S	S	.	.			trans	-71.6	159.7	169.2	61.9	0	0	0	0	111.1	T362 K366 Q367 I368	T362-T364 PolarHBondContact O-N 3.2Å; T364-K366 PolarHBondContact O-N 3.47Å; T364-K366 VanDerWaalsContact O-N 3.09Å; T364-Q367 WeakPolarHBondContact O-CA 3.27Å; T364-Q367 WeakPolarHBondContact O-CB 3.39Å; T364-Q367 PolarHBondContact O-N 3.29Å; T364-Q367 WeakPolarHBondContact OG1-CG 3.42Å; T364-Q367 PolarHBondContact OG1-N 3.05Å; T364-Q367 PolarHBondContact OG1-OE1 3.44Å; T364-I368 WeakPolarHBondContact O-CG1 3.14Å; T364-I368 PolarHBondContact O-N 3.08Å
365	A	98.6	Very high	94.7	Very high	52 Å²	52	52.6 Å²	52.6	43%	0.43	27%	0.273	S	S	.	.	H	α-helix	trans	-49.8	-39.3	173.4	0	0	0	0	0	113.1	K369 Q439	A365-K369 WeakPolarHBondContact O-CB 3.36Å; A365-K369 PolarHBondContact O-N 3.35Å; A365-Q439 HydrophobicContact CB-CG 4.11Å; A365-Q439 PolarHBondContact O-NE2 3.21Å
366	K	98.4	Very high	95.6	Very high	166 Å²	166	49.4 Å²	49.4	72%	0.722	25%	0.253	S	S	*	.	H	α-helix	trans	-67.8	-41.1	176.7	-173.4	-179.5	178.1	-177.1	0	112	T364 T370	T364-K366 PolarHBondContact O-N 3.47Å; T364-K366 VanDerWaalsContact O-N 3.09Å; K366-T370 WeakPolarHBondContact O-CB 3.44Å; K366-T370 PolarHBondContact O-N 2.93Å; K366-T370 PolarHBondContact O-OG1 2.87Å
367	Q	97.8	Very high	96.1	Very high	85 Å²	85	51 Å²	51	40%	0.397	26%	0.257	S	S	.	.	H	α-helix	trans	-65	-46.4	176.5	-77.1	161.5	-57	0	0	111.1	D363 T364 K369 T370 K371	D363-Q367 HydrophobicContact CB-CB 3.98Å; T364-Q367 WeakPolarHBondContact O-CA 3.27Å; T364-Q367 WeakPolarHBondContact O-CB 3.39Å; T364-Q367 PolarHBondContact O-N 3.29Å; T364-Q367 WeakPolarHBondContact OG1-CG 3.42Å; T364-Q367 PolarHBondContact OG1-N 3.05Å; T364-Q367 PolarHBondContact OG1-OE1 3.44Å; Q367-K369 PolarHBondContact O-N 3.33Å; Q367-T370 PolarHBondContact O-N 2.75Å; Q367-T370 VanDerWaalsContact O-N 3.13Å; Q367-K371 WeakPolarHBondContact O-CB 3.47Å; Q367-K371 WeakPolarHBondContact O-CG 3.21Å; Q367-K371 PolarHBondContact O-N 3.26Å
368	I	98.5	Very high	96.5	Very high	2 Å²	2	52.6 Å²	52.6	1%	0.01	27%	0.268	C	S	.	.	H	α-helix	trans	-55	-53.7	176.2	-62.3	161.6	0	0	0	110.2	I359 D363 T364 T370 K371 V372 L438 Q439 I442	I359-I368 HydrophobicContact CG2-CG1 3.99Å; I359-I368 HydrophobicContact CG2-CG2 4.45Å; D363-I368 HydrophobicContact CB-CD1 4.5Å; D363-I368 HydrophobicContact CB-CG1 3.79Å; T364-I368 WeakPolarHBondContact O-CG1 3.14Å; T364-I368 PolarHBondContact O-N 3.08Å; I368-T370 VanDerWaalsContact C-N 3.31Å; I368-T370 PolarHBondContact O-N 3.11Å; I368-K371 PolarHBondContact O-N 2.76Å; I368-V372 HydrophobicContact CG2-CG2 4.47Å; I368-V372 WeakPolarHBondContact O-CG2 3.24Å; I368-V372 PolarHBondContact O-N 3.43Å; I368-L438 HydrophobicContact CG2-CB 3.91Å; I368-L438 HydrophobicContact CG2-CD1 4.2Å; I368-Q439 HydrophobicContact CB-CG 4.38Å; I368-Q439 HydrophobicContact CD1-CG 4.22Å; I368-Q439 HydrophobicContact CG2-CG 4.25Å; I368-I442 HydrophobicContact CD1-CB 4.07Å; I368-I442 HydrophobicContact CD1-CD1 3.52Å; I368-I442 HydrophobicContact CD1-CG1 4.38Å; I368-I442 HydrophobicContact CD1-CG2 4.13Å; I368-I442 HydrophobicContact CG1-CD1 3.99Å
369	K	98.5	Very high	96.8	Very high	115 Å²	115	53 Å²	53	50%	0.5	27%	0.272	S	S	.	.	H	α-helix	trans	-55.1	-45.6	176.5	174.3	171.1	-177.8	178	0	112.2	A365 Q367 N373 I435	A365-K369 WeakPolarHBondContact O-CB 3.36Å; A365-K369 PolarHBondContact O-N 3.35Å; Q367-K369 PolarHBondContact O-N 3.33Å; K369-N373 VanDerWaalsContact O-CB 3.28Å; K369-N373 WeakPolarHBondContact O-CB 3.46Å; K369-N373 VanDerWaalsContact O-CG 3.29Å; K369-N373 PolarHBondContact O-N 3.36Å; K369-N373 PolarHBondContact O-ND2 2.73Å; K369-I435 HydrophobicContact CB-CD1 4.24Å; K369-I435 HydrophobicContact CB-CG2 4.2Å; K369-I435 HydrophobicContact CG-CD1 4Å
370	T	98	Very high	96.9	Very high	54 Å²	54	53.8 Å²	53.8	33%	0.331	28%	0.281	S	S	.	.	H	α-helix	trans	-64.9	-46.1	-179	-56.8	0	0	0	0	111.3	K366 Q367 I368 N373 K374	K366-T370 WeakPolarHBondContact O-CB 3.44Å; K366-T370 PolarHBondContact O-N 2.93Å; K366-T370 PolarHBondContact O-OG1 2.87Å; Q367-T370 PolarHBondContact O-N 2.75Å; Q367-T370 VanDerWaalsContact O-N 3.13Å; I368-T370 VanDerWaalsContact C-N 3.31Å; I368-T370 PolarHBondContact O-N 3.11Å; T370-N373 PolarHBondContact O-N 2.76Å; T370-K374 HydrophobicContact CG2-CD 3.85Å; T370-K374 HydrophobicContact CG2-CG 4.37Å; T370-K374 WeakPolarHBondContact O-CB 3.39Å; T370-K374 WeakPolarHBondContact O-CG 3.48Å; T370-K374 PolarHBondContact O-N 2.83Å
371	K	97.4	Very high	96.8	Very high	17 Å²	17	58.6 Å²	58.6	7%	0.074	30%	0.298	C	S	.	.	H	α-helix	trans	-65.1	-46.5	-178.8	-74.2	-178.3	176.9	-179.3	0	112.1	L343 P355 S358 I359 D363 Q367 I368 N373 K374 H375 A376	L343-K371 HydrophobicContact CD1-CB 3.94Å; P355-K371 WeakPolarHBondContact O-CE 3.33Å; P355-K371 PolarHBondContact O-NZ 2.76Å; S358-K371 WeakPolarHBondContact O-CD 3.31Å; S358-K371 PolarHBondContact O-NZ 3.09Å; I359-K371 HydrophobicContact CD1-CB 3.6Å; I359-K371 HydrophobicContact CD1-CD 3.96Å; I359-K371 HydrophobicContact CD1-CG 4.45Å; D363-K371 IonicContact OD1-NZ 2.72Å; D363-K371 PolarHBondContact OD1-NZ 2.87Å; D363-K371 VanDerWaalsContact OD1-NZ 3.1Å; D363-K371 IonicContact OD2-NZ 3.29Å; D363-K371 PolarHBondContact OD2-NZ 3.5Å; Q367-K371 WeakPolarHBondContact O-CB 3.47Å; Q367-K371 WeakPolarHBondContact O-CG 3.21Å; Q367-K371 PolarHBondContact O-N 3.26Å; I368-K371 PolarHBondContact O-N 2.76Å; K371-N373 PolarHBondContact O-N 2.96Å; K371-K374 PolarHBondContact O-N 2.72Å; K371-H375 WeakPolarHBondContact O-CA 3.45Å; K371-H375 WeakPolarHBondContact O-CB 3.43Å; K371-H375 PolarHBondContact O-N 3.39Å; K371-A376 PolarHBondContact O-N 2.82Å
372	V	98.1	Very high	96.6	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-60.6	-48.2	175.9	173.6	0	0	0	0	110.8	I359 I368 K374 A376 K431 L434 I435 L438	I359-V372 HydrophobicContact CD1-CG2 4.15Å; I368-V372 HydrophobicContact CG2-CG2 4.47Å; I368-V372 WeakPolarHBondContact O-CG2 3.24Å; I368-V372 PolarHBondContact O-N 3.43Å; V372-K374 PolarHBondContact O-N 2.87Å; V372-A376 HydrophobicContact CG1-CB 4.29Å; V372-A376 WeakPolarHBondContact O-CB 3.34Å; V372-A376 PolarHBondContact O-N 3.24Å; V372-K431 HydrophobicContact CG1-CB 3.96Å; V372-K431 HydrophobicContact CG1-CD 4.44Å; V372-K431 HydrophobicContact CG1-CG 4.06Å; V372-K431 PolarHBondContact O-NZ 2.98Å; V372-L434 HydrophobicContact CG1-CD2 3.96Å; V372-L434 HydrophobicContact CG2-CD2 4.02Å; V372-L434 HydrophobicContact CG2-CG 4.47Å; V372-I435 HydrophobicContact CB-CD1 4.18Å; V372-I435 HydrophobicContact CB-CG1 3.88Å; V372-I435 HydrophobicContact CG1-CD1 4.11Å; V372-I435 HydrophobicContact CG1-CG1 3.9Å; V372-I435 HydrophobicContact CG2-CG1 4.17Å; V372-L438 HydrophobicContact CG2-CD1 4.18Å
373	N	97.8	Very high	96.6	Very high	70 Å²	70	65.5 Å²	65.5	37%	0.374	33%	0.334	S	S	.	.	H	α-helix	trans	-63.6	-41.7	-178.5	-75.2	-19	0	0	0	113.2	K369 T370 K371 K431	K369-N373 VanDerWaalsContact O-CB 3.28Å; K369-N373 WeakPolarHBondContact O-CB 3.46Å; K369-N373 VanDerWaalsContact O-CG 3.29Å; K369-N373 PolarHBondContact O-N 3.36Å; K369-N373 PolarHBondContact O-ND2 2.73Å; T370-N373 PolarHBondContact O-N 2.76Å; K371-N373 PolarHBondContact O-N 2.96Å; N373-K431 PolarHBondContact O-NZ 3.31Å
374	K	95.7	Very high	96.6	Very high	155 Å²	155	69.9 Å²	69.9	67%	0.674	36%	0.356	S	S	*	.	H	α-helix	trans	-89.9	-32.8	-173.8	-67.4	-171.9	176.5	-173.2	0	115	T370 K371 V372	T370-K374 HydrophobicContact CG2-CD 3.85Å; T370-K374 HydrophobicContact CG2-CG 4.37Å; T370-K374 WeakPolarHBondContact O-CB 3.39Å; T370-K374 WeakPolarHBondContact O-CG 3.48Å; T370-K374 PolarHBondContact O-N 2.83Å; K371-K374 PolarHBondContact O-N 2.72Å; V372-K374 PolarHBondContact O-N 2.87Å
375	H	94.7	Very high	96.5	Very high	57 Å²	57	72.9 Å²	72.9	26%	0.264	37%	0.366	S	S	.	.	H	α-helix	trans	-118.1	-21.8	-166.8	-55.8	-57.4	0	0	0	113.9	L343 K371 F377	L343-H375 CarbonylContact C-O 3.55Å; L343-H375 HydrophobicContact CB-CB 4.13Å; L343-H375 HydrophobicContact CD1-CB 4.37Å; K371-H375 WeakPolarHBondContact O-CA 3.45Å; K371-H375 WeakPolarHBondContact O-CB 3.43Å; K371-H375 PolarHBondContact O-N 3.39Å; H375-F377 PolarHBondContact O-N 2.91Å; H375-F377 VanDerWaalsContact O-N 3.15Å
376	A	95	Very high	96.5	Very high	5 Å²	5	74.2 Å²	74.2	4%	0.041	36%	0.363	C	S	.	.	S	Bend	trans	-64.5	116.4	174	0	0	0	0	0	109.9	L343 K371 V372 K431	L343-A376 HydrophobicContact CD2-CB 4.11Å; L343-A376 CarbonylContact O-C 3.5Å; L343-A376 WeakPolarHBondContact O-CA 3.15Å; K371-A376 PolarHBondContact O-N 2.82Å; V372-A376 HydrophobicContact CG1-CB 4.29Å; V372-A376 WeakPolarHBondContact O-CB 3.34Å; V372-A376 PolarHBondContact O-N 3.24Å; A376-K431 WeakPolarHBondContact O-CE 3Å; A376-K431 PolarHBondContact O-NZ 3.46Å
377	F	94.8	Very high	96.4	Very high	100 Å²	100	66.5 Å²	66.5	44%	0.439	33%	0.329	S	S	.	.			trans	-61.8	138.7	176.2	176.7	-88.3	0	0	0	110.3	L343 Q344 H375 V396 V398	L343-F377 PolarHBondContact O-N 3.18Å; Q344-F377 WeakPolarHBondContact O-CB 3.34Å; H375-F377 PolarHBondContact O-N 2.91Å; H375-F377 VanDerWaalsContact O-N 3.15Å; F377-V396 WeakPolarHBondContact CD1-O 3.33Å; F377-V396 HydrophobicContact CE1-CB 4.04Å; F377-V396 HydrophobicContact CE1-CG2 4.01Å; F377-V398 HydrophobicContact CB-CG2 3.88Å; F377-V398 PolarHBondContact O-N 3.35Å; F377-V398 VanDerWaalsContact O-N 3.09Å
378	S	96.1	Very high	96.5	Very high	39 Å²	39	67.9 Å²	67.9	27%	0.273	33%	0.331	S	S	.	.			trans	-107.1	132.7	-174.5	171.4	0	0	0	0	110.3	G380 D397 T427	S378-G380 VanDerWaalsContact C-N 3.28Å; S378-G380 PolarHBondContact OG-N 2.99Å; S378-D397 WeakPolarHBondContact CA-OD2 3.28Å; S378-T427 WeakPolarHBondContact OG-CG2 3.49Å; S378-T427 PolarHBondContact OG-OG1 2.71Å
379	G	95.5	Very high	96.4	Very high	8 Å²	8	74.3 Å²	74.3	8%	0.082	36%	0.361	C	S	.	.			trans	-86.7	6.3	166.4	0	0	0	0	0	113.8	G392 N393 D397	G379-G392 CarbonylContact O-C 3.59Å; G379-G392 WeakPolarHBondContact O-CA 3.26Å; G379-N393 PolarHBondContact O-N 3.05Å; G379-D397 PolarHBondContact N-OD2 3.45Å
380	G	96.3	Very high	96.3	Very high	18 Å²	18	74.4 Å²	74.4	19%	0.186	36%	0.362	C	S	.	.	S	Bend	trans	-71	174.8	177.8	0	0	0	0	0	113.5	S378 H387 Y420	S378-G380 VanDerWaalsContact C-N 3.28Å; S378-G380 PolarHBondContact OG-N 2.99Å; G380-H387 WeakPolarHBondContact CA-ND1 3.41Å; G380-Y420 WeakPolarHBondContact CA-OH 3.38Å; G380-Y420 PolarHBondContact N-OH 3.31Å
381	R	94.4	Very high	96.3	Very high	125 Å²	125	71.9 Å²	71.9	47%	0.472	35%	0.346	S	S	.	.			trans	-92.1	166.7	178.2	-52.7	-59.3	-179.6	159.5	3.1	112.3	T383 E386 H387 G391	R381-T383 VanDerWaalsContact C-N 3.31Å; R381-T383 PolarHBondContact O-N 3.44Å; R381-E386 HydrophobicContact CB-CB 3.71Å; R381-E386 HydrophobicContact CG-CB 4.13Å; R381-H387 HydrophobicContact CB-CB 4.02Å; R381-H387 HydrophobicContact CG-CB 4.19Å; R381-H387 PolarHBondContact N-ND1 2.76Å; R381-G391 PolarHBondContact NE-O 3.02Å
382	D	93.1	Very high	96.3	Very high	165 Å²	165	71.2 Å²	71.2	88%	0.882	34%	0.344	S	S	*	.	S	Bend	trans	-67.7	-33.6	-176.9	-66.2	-24.8	0	0	0	111.9
383	T	95.7	Very high	96.3	Very high	60 Å²	60	74.2 Å²	74.2	37%	0.368	36%	0.36	S	S	.	.	S	Bend	trans	-119.2	155.9	177.8	65	0	0	0	0	112.4	R381 E385 E386 H387	R381-T383 VanDerWaalsContact C-N 3.31Å; R381-T383 PolarHBondContact O-N 3.44Å; T383-E385 VanDerWaalsContact C-N 3.27Å; T383-E385 PolarHBondContact O-N 2.76Å; T383-E386 PolarHBondContact N-OE2 3.4Å; T383-E386 PolarHBondContact O-N 3.28Å; T383-E386 VanDerWaalsContact OG1-CB 3.28Å; T383-E386 WeakPolarHBondContact OG1-CB 3.48Å; T383-E386 VanDerWaalsContact OG1-CD 3.29Å; T383-E386 WeakPolarHBondContact OG1-CG 3.26Å; T383-E386 PolarHBondContact OG1-N 2.74Å; T383-E386 PolarHBondContact OG1-OE2 3.17Å; T383-E386 VanDerWaalsContact OG1-OE2 3.08Å; T383-H387 WeakPolarHBondContact O-CB 3.44Å; T383-H387 PolarHBondContact O-N 3.14Å
384	I	96.1	Very high	96.2	Very high	100 Å²	100	71.3 Å²	71.3	51%	0.513	35%	0.345	S	S	.	.	H	α-helix	trans	-63.3	-40.7	176.4	-67.4	175.1	0	0	0	109.5	H387 R388 L426	I384-H387 PolarHBondContact O-N 2.82Å; I384-R388 HydrophobicContact CG2-CG 4.14Å; I384-R388 VanDerWaalsContact O-CG 3.3Å; I384-R388 WeakPolarHBondContact O-CG 3.34Å; I384-R388 PolarHBondContact O-N 2.72Å; I384-L426 HydrophobicContact CG2-CD2 4.23Å
385	E	97.1	Very high	96	Very high	138 Å²	138	68 Å²	68	65%	0.645	34%	0.335	S	S	*	.	H	α-helix	trans	-59.8	-50	179.8	-66.2	71	-159	0	0	111.1	T383 H387 R388 Q389	T383-E385 VanDerWaalsContact C-N 3.27Å; T383-E385 PolarHBondContact O-N 2.76Å; E385-H387 VanDerWaalsContact C-N 3.32Å; E385-H387 PolarHBondContact O-N 2.71Å; E385-R388 PolarHBondContact O-N 2.8Å; E385-Q389 WeakPolarHBondContact O-CB 3.38Å; E385-Q389 PolarHBondContact O-N 3.29Å
386	E	96.7	Very high	95.9	Very high	79 Å²	79	66.3 Å²	66.3	37%	0.369	33%	0.329	S	S	.	.	H	α-helix	trans	-63	-39.2	174.7	-73.3	169.9	157.5	0	0	111.8	R381 T383 Q389 F390	R381-E386 HydrophobicContact CB-CB 3.71Å; R381-E386 HydrophobicContact CG-CB 4.13Å; T383-E386 PolarHBondContact N-OE2 3.4Å; T383-E386 PolarHBondContact O-N 3.28Å; T383-E386 VanDerWaalsContact OG1-CB 3.28Å; T383-E386 WeakPolarHBondContact OG1-CB 3.48Å; T383-E386 VanDerWaalsContact OG1-CD 3.29Å; T383-E386 WeakPolarHBondContact OG1-CG 3.26Å; T383-E386 PolarHBondContact OG1-N 2.74Å; T383-E386 PolarHBondContact OG1-OE2 3.17Å; T383-E386 VanDerWaalsContact OG1-OE2 3.08Å; E386-Q389 PolarHBondContact O-N 2.73Å; E386-F390 HydrophobicContact CB-CD2 4.24Å; E386-F390 WeakPolarHBondContact O-CB 3.17Å; E386-F390 WeakPolarHBondContact O-CD2 3.3Å; E386-F390 PolarHBondContact O-N 2.72Å
387	H	98.2	Very high	96	Very high	5 Å²	5	66.1 Å²	66.1	2%	0.023	33%	0.327	C	S	.	.	H	α-helix	trans	-65.2	-42.7	177.7	-167.9	93.7	0	0	0	111.6	G380 R381 T383 I384 E385 Q389 G391 G392 Y420 G423 M425	G380-H387 WeakPolarHBondContact CA-ND1 3.41Å; R381-H387 HydrophobicContact CB-CB 4.02Å; R381-H387 HydrophobicContact CG-CB 4.19Å; R381-H387 PolarHBondContact N-ND1 2.76Å; T383-H387 WeakPolarHBondContact O-CB 3.44Å; T383-H387 PolarHBondContact O-N 3.14Å; I384-H387 PolarHBondContact O-N 2.82Å; E385-H387 VanDerWaalsContact C-N 3.32Å; E385-H387 PolarHBondContact O-N 2.71Å; H387-Q389 PolarHBondContact O-N 3.33Å; H387-G391 WeakPolarHBondContact O-CA 3.23Å; H387-G391 PolarHBondContact O-N 3.41Å; H387-G392 PolarHBondContact CE1-N 2.68Å; H387-Y420 AromaticContact CE1-CD2 3.89Å; H387-Y420 AromaticContact CE1-CE2 3.36Å; H387-Y420 WeakPolarHBondContact CE1-CE2 3.22Å; H387-Y420 AromaticContact CE1-CZ 3.9Å; H387-Y420 AromaticContact NE2-CD2 3.87Å; H387-Y420 AromaticContact NE2-CE2 3.75Å; H387-G423 WeakPolarHBondContact O-CA 3.33Å; H387-M425 PolarHBondContact NE2-O 2.68Å
388	R	97.9	Very high	96	Very high	113 Å²	113	61.3 Å²	61.3	43%	0.426	31%	0.306	S	S	.	.	H	α-helix	trans	-63.6	-32.5	174.6	-68.4	-48.9	-172	178.6	-2.1	111.9	I384 E385 G423 A424	I384-R388 HydrophobicContact CG2-CG 4.14Å; I384-R388 VanDerWaalsContact O-CG 3.3Å; I384-R388 WeakPolarHBondContact O-CG 3.34Å; I384-R388 PolarHBondContact O-N 2.72Å; E385-R388 PolarHBondContact O-N 2.8Å; R388-G423 WeakPolarHBondContact CD-O 3.47Å; R388-G423 PolarHBondContact NH1-O 3.21Å; R388-A424 PolarHBondContact NH1-O 3.26Å
389	Q	97.4	Very high	96.1	Very high	138 Å²	138	59.5 Å²	59.5	65%	0.645	29%	0.293	S	S	*	.	H	α-helix	trans	-82.5	-40.4	-177.9	-174	174.9	-0.7	0	0	113.5	E385 E386 H387	E385-Q389 WeakPolarHBondContact O-CB 3.38Å; E385-Q389 PolarHBondContact O-N 3.29Å; E386-Q389 PolarHBondContact O-N 2.73Å; H387-Q389 PolarHBondContact O-N 3.33Å
390	F	97.1	Very high	96.2	Very high	117 Å²	117	60 Å²	60	51%	0.513	29%	0.293	S	S	.	.	H	α-helix	trans	-118.7	-7.6	-169.2	-57.4	-64.6	0	0	0	114.6	E386	E386-F390 HydrophobicContact CB-CD2 4.24Å; E386-F390 WeakPolarHBondContact O-CB 3.17Å; E386-F390 WeakPolarHBondContact O-CD2 3.3Å; E386-F390 PolarHBondContact O-N 2.72Å
391	G	98	Very high	96.2	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	29%	0.29	C	S	.	.			trans	65.7	173	-177.1	0	0	0	0	0	115.2	R381 H387 T421	R381-G391 PolarHBondContact NE-O 3.02Å; H387-G391 WeakPolarHBondContact O-CA 3.23Å; H387-G391 PolarHBondContact O-N 3.41Å; G391-T421 WeakPolarHBondContact CA-O 3.29Å
392	G	97.7	Very high	96.4	Very high	4 Å²	4	54.4 Å²	54.4	4%	0.041	27%	0.268	C	S	.	.			trans	-90.6	157	173.3	0	0	0	0	0	112.7	G379 H387 Y420 T421	G379-G392 CarbonylContact O-C 3.59Å; G379-G392 WeakPolarHBondContact O-CA 3.26Å; H387-G392 PolarHBondContact CE1-N 2.68Å; G392-Y420 PolarHBondContact N-O 3.41Å; G392-T421 WeakPolarHBondContact O-CA 3.24Å
393	N	96.8	Very high	96.7	Very high	62 Å²	62	46.6 Å²	46.6	33%	0.332	23%	0.226	S	C	.	.			trans	-97.3	102.3	177.2	-174.6	2.1	0	0	0	111.5	G379 D395 V396 D397	G379-N393 PolarHBondContact O-N 3.05Å; N393-D395 PolarHBondContact O-N 3.17Å; N393-D395 VanDerWaalsContact OD1-CB 3.32Å; N393-D395 WeakPolarHBondContact OD1-CB 3.18Å; N393-D395 PolarHBondContact OD1-N 2.99Å; N393-V396 HydrophobicContact CB-CG2 3.92Å; N393-V396 PolarHBondContact O-N 3.22Å; N393-D397 WeakPolarHBondContact O-CB 3.23Å; N393-D397 PolarHBondContact O-N 2.99Å; N393-D397 VanDerWaalsContact O-N 3.16Å
394	C	96.3	Very high	96.7	Very high	9 Å²	9	45.2 Å²	45.2	6%	0.061	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-27.7	176.3	-69.8	0	0	0	0	113.7	V396 F400 R417	C394-V396 PolarHBondContact O-N 3.44Å; C394-F400 HydrophobicContact CB-CB 4.49Å; C394-F400 HydrophobicContact CB-CD1 3.53Å; C394-F400 HydrophobicContact CB-CD2 4.43Å; C394-F400 HydrophobicContact CB-CE1 3.78Å; C394-F400 HydrophobicContact CB-CG 3.89Å; C394-F400 HydrophobicContact CB-CZ 4.35Å; C394-R417 HydrophobicContact CB-CG 4.41Å
395	D	91.2	Very high	96.8	Very high	86 Å²	86	40.8 Å²	40.8	46%	0.46	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-18.7	-177	-66.7	-7.8	0	0	0	113.1	K96 N393 M401	K96-D395 HydrophobicContact CD-CB 4.26Å; K96-D395 HydrophobicContact CG-CB 4.41Å; K96-D395 IonicContact NZ-OD2 3.24Å; K96-D395 PolarHBondContact NZ-OD2 3.27Å; N393-D395 PolarHBondContact O-N 3.17Å; N393-D395 VanDerWaalsContact OD1-CB 3.32Å; N393-D395 WeakPolarHBondContact OD1-CB 3.18Å; N393-D395 PolarHBondContact OD1-N 2.99Å; D395-M401 WeakPolarHBondContact O-CE 3.44Å
396	V	92.8	Very high	96.8	Very high	22 Å²	22	35 Å²	35	13%	0.133	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.8	-12.8	178.9	-61.2	0	0	0	0	112.6	A95 K96 F377 N393 C394 V398	A95-V396 HydrophobicContact CB-CG1 4.24Å; K96-V396 HydrophobicContact CG-CG1 4.18Å; F377-V396 WeakPolarHBondContact CD1-O 3.33Å; F377-V396 HydrophobicContact CE1-CB 4.04Å; F377-V396 HydrophobicContact CE1-CG2 4.01Å; N393-V396 HydrophobicContact CB-CG2 3.92Å; N393-V396 PolarHBondContact O-N 3.22Å; C394-V396 PolarHBondContact O-N 3.44Å; V396-V398 PolarHBondContact O-N 3.17Å
397	D	96.3	Very high	96.9	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.153	C	C	.	.			trans	-75.8	112.7	-178	-166	-68.1	0	0	0	111.4	S378 G379 N393 S399 F400 M401 Y420 L430	S378-D397 WeakPolarHBondContact CA-OD2 3.28Å; G379-D397 PolarHBondContact N-OD2 3.45Å; N393-D397 WeakPolarHBondContact O-CB 3.23Å; N393-D397 PolarHBondContact O-N 2.99Å; N393-D397 VanDerWaalsContact O-N 3.16Å; D397-S399 PolarHBondContact O-N 2.85Å; D397-S399 WeakPolarHBondContact OD1-CA 3.29Å; D397-S399 WeakPolarHBondContact OD1-CB 3.09Å; D397-S399 PolarHBondContact OD1-N 2.89Å; D397-S399 PolarHBondContact OD1-OG 3.44Å; D397-F400 HydrophobicContact CB-CB 4.16Å; D397-F400 PolarHBondContact O-N 3.42Å; D397-F400 PolarHBondContact OD1-N 2.96Å; D397-F400 VanDerWaalsContact OD1-N 3.15Å; D397-M401 WeakPolarHBondContact O-CG 3.5Å; D397-M401 PolarHBondContact O-N 3.39Å; D397-Y420 HydrophobicContact CB-CE1 3.95Å; D397-Y420 PolarHBondContact OD2-OH 3.14Å; D397-L430 HydrophobicContact CB-CD2 4.4Å; D397-L430 VanDerWaalsContact OD1-CD2 3.32Å; D397-L430 WeakPolarHBondContact OD1-CD2 3.34Å
398	V	95.8	Very high	96.7	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-65.5	-28.4	-176.3	174.8	0	0	0	0	111.7	A342 F377 V396 M401 Y402	A342-V398 WeakPolarHBondContact O-CG1 3.27Å; F377-V398 HydrophobicContact CB-CG2 3.88Å; F377-V398 PolarHBondContact O-N 3.35Å; F377-V398 VanDerWaalsContact O-N 3.09Å; V396-V398 PolarHBondContact O-N 3.17Å; V398-M401 HydrophobicContact CG2-SD 4.38Å; V398-M401 PolarHBondContact O-N 3.08Å; V398-Y402 HydrophobicContact CG1-CD2 3.62Å; V398-Y402 HydrophobicContact CG1-CE2 3.42Å; V398-Y402 VanDerWaalsContact CG1-CE2 3.42Å; V398-Y402 WeakPolarHBondContact O-CD2 3.35Å; V398-Y402 PolarHBondContact O-N 2.9Å
399	S	98.2	Very high	96.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-69.4	-42.9	178.7	-47.5	0	0	0	0	110.9	D397 Y402 L403 K431	D397-S399 PolarHBondContact O-N 2.85Å; D397-S399 WeakPolarHBondContact OD1-CA 3.29Å; D397-S399 WeakPolarHBondContact OD1-CB 3.09Å; D397-S399 PolarHBondContact OD1-N 2.89Å; D397-S399 PolarHBondContact OD1-OG 3.44Å; S399-Y402 PolarHBondContact O-N 3.16Å; S399-L403 WeakPolarHBondContact O-CG 3.24Å; S399-L403 PolarHBondContact O-N 3.05Å; S399-L403 VanDerWaalsContact O-N 3.16Å; S399-K431 WeakPolarHBondContact OG-CG 3.31Å
400	F	98.2	Very high	96.5	Very high	19 Å²	19	32.2 Å²	32.2	8%	0.083	16%	0.163	C	C	.	.	H	α-helix	trans	-63.7	-44.1	171.8	-174.2	-97	0	0	0	111.4	C394 D397 Y402 L403 T404 L413 I416 R417 L430	C394-F400 HydrophobicContact CB-CB 4.49Å; C394-F400 HydrophobicContact CB-CD1 3.53Å; C394-F400 HydrophobicContact CB-CD2 4.43Å; C394-F400 HydrophobicContact CB-CE1 3.78Å; C394-F400 HydrophobicContact CB-CG 3.89Å; C394-F400 HydrophobicContact CB-CZ 4.35Å; D397-F400 HydrophobicContact CB-CB 4.16Å; D397-F400 PolarHBondContact O-N 3.42Å; D397-F400 PolarHBondContact OD1-N 2.96Å; D397-F400 VanDerWaalsContact OD1-N 3.15Å; F400-Y402 PolarHBondContact O-N 3.46Å; F400-L403 WeakPolarHBondContact O-CB 3.38Å; F400-L403 PolarHBondContact O-N 3.21Å; F400-L403 VanDerWaalsContact O-N 3.1Å; F400-T404 HydrophobicContact CD1-CG2 4.04Å; F400-T404 HydrophobicContact CE1-CG2 3.74Å; F400-T404 HydrophobicContact CZ-CG2 4.31Å; F400-T404 WeakPolarHBondContact O-CG2 3.3Å; F400-T404 PolarHBondContact O-N 3.47Å; F400-L413 HydrophobicContact CE2-CD1 3.86Å; F400-L413 HydrophobicContact CE2-CG 4.47Å; F400-L413 HydrophobicContact CZ-CD1 4.12Å; F400-L413 HydrophobicContact CZ-CG 4.41Å; F400-I416 HydrophobicContact CD2-CG2 4.04Å; F400-I416 HydrophobicContact CE2-CG2 4.22Å; F400-R417 HydrophobicContact CE1-CG 4.39Å; F400-R417 HydrophobicContact CE2-CB 3.64Å; F400-R417 HydrophobicContact CE2-CG 4.03Å; F400-R417 HydrophobicContact CZ-CB 3.65Å; F400-R417 HydrophobicContact CZ-CG 3.65Å; F400-L430 HydrophobicContact CB-CD1 4.4Å; F400-L430 HydrophobicContact CB-CD2 4.15Å; F400-L430 HydrophobicContact CD2-CD1 4.4Å
401	M	96	Very high	96.6	Very high	25 Å²	25	33.2 Å²	33.2	12%	0.123	17%	0.174	C	C	.	.	H	α-helix	trans	-55.8	-48	175.9	-67.2	172.5	-178.8	0	0	111.6	P341 A346 D395 D397 V398 L403 T404 F405	P341-M401 HydrophobicContact CB-SD 4.06Å; P341-M401 HydrophobicContact CG-CB 3.83Å; P341-M401 HydrophobicContact CG-CG 4.49Å; P341-M401 HydrophobicContact CG-SD 3.88Å; A346-M401 HydrophobicContact CB-CE 4.08Å; A346-M401 HydrophobicContact CB-SD 4.12Å; D395-M401 WeakPolarHBondContact O-CE 3.44Å; D397-M401 WeakPolarHBondContact O-CG 3.5Å; D397-M401 PolarHBondContact O-N 3.39Å; V398-M401 HydrophobicContact CG2-SD 4.38Å; V398-M401 PolarHBondContact O-N 3.08Å; M401-L403 VanDerWaalsContact C-N 3.28Å; M401-L403 PolarHBondContact O-N 3.26Å; M401-T404 PolarHBondContact O-N 3.25Å; M401-T404 PolarHBondContact O-OG1 2.99Å; M401-F405 VanDerWaalsContact O-CD2 3.23Å; M401-F405 WeakPolarHBondContact O-CD2 3.43Å
402	Y	97.7	Very high	96.6	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-61.3	-37.3	178	-85	-135.4	0	0	0	112.2	V171 F340 P341 L343 I359 V398 S399 F400 T404 F405 F406 L434 L438	V171-Y402 HydrophobicContact CG2-CE1 4.22Å; F340-Y402 HydrophobicContact CD1-CE2 4.4Å; F340-Y402 HydrophobicContact CE1-CD1 4.18Å; F340-Y402 HydrophobicContact CE1-CD2 4.13Å; F340-Y402 AromaticContact CE1-CE1 3.6Å; F340-Y402 HydrophobicContact CE1-CE1 3.6Å; F340-Y402 AromaticContact CE1-CE2 3.53Å; F340-Y402 HydrophobicContact CE1-CE2 3.53Å; F340-Y402 HydrophobicContact CE1-CG 4.43Å; F340-Y402 AromaticContact CE1-CZ 3.22Å; F340-Y402 WeakPolarHBondContact CE1-OH 3.36Å; F340-Y402 HydrophobicContact CE2-CD2 4.4Å; F340-Y402 HydrophobicContact CE2-CG 4.39Å; F340-Y402 AromaticContact CZ-CD1 3.56Å; F340-Y402 HydrophobicContact CZ-CD1 3.56Å; F340-Y402 AromaticContact CZ-CD2 3.7Å; F340-Y402 HydrophobicContact CZ-CD2 3.7Å; F340-Y402 AromaticContact CZ-CE1 3.45Å; F340-Y402 HydrophobicContact CZ-CE1 3.45Å; F340-Y402 VanDerWaalsContact CZ-CE1 3.45Å; F340-Y402 AromaticContact CZ-CE2 3.59Å; F340-Y402 HydrophobicContact CZ-CE2 3.59Å; F340-Y402 AromaticContact CZ-CG 3.68Å; F340-Y402 HydrophobicContact CZ-CG 3.68Å; F340-Y402 AromaticContact CZ-CZ 3.47Å; F340-Y402 VanDerWaalsContact CZ-CZ 3.47Å; P341-Y402 HydrophobicContact CG-CD2 4.05Å; P341-Y402 HydrophobicContact CG-CE2 3.92Å; P341-Y402 VanDerWaalsContact O-CE2 3.23Å; P341-Y402 WeakPolarHBondContact O-CE2 3.48Å; P341-Y402 PolarHBondContact O-OH 2.94Å; L343-Y402 HydrophobicContact CD2-CE1 3.96Å; L343-Y402 HydrophobicContact CD2-CE2 4.42Å; I359-Y402 HydrophobicContact CG1-CE1 4.11Å; V398-Y402 HydrophobicContact CG1-CD2 3.62Å; V398-Y402 HydrophobicContact CG1-CE2 3.42Å; V398-Y402 VanDerWaalsContact CG1-CE2 3.42Å; V398-Y402 WeakPolarHBondContact O-CD2 3.35Å; V398-Y402 PolarHBondContact O-N 2.9Å; S399-Y402 PolarHBondContact O-N 3.16Å; F400-Y402 PolarHBondContact O-N 3.46Å; Y402-T404 VanDerWaalsContact C-N 3.28Å; Y402-T404 PolarHBondContact O-N 3.02Å; Y402-F405 PolarHBondContact O-N 3.39Å; Y402-F405 VanDerWaalsContact O-N 3.15Å; Y402-F406 HydrophobicContact CD1-CE2 4.43Å; Y402-F406 WeakPolarHBondContact O-CD2 3.08Å; Y402-F406 PolarHBondContact O-N 3.1Å; Y402-L434 VanDerWaalsContact CB-CD1 3.48Å; Y402-L434 HydrophobicContact CD1-CD1 4.37Å; Y402-L434 HydrophobicContact CD1-CD2 4.13Å; Y402-L434 HydrophobicContact CG-CD1 4.4Å; Y402-L434 HydrophobicContact CG-CD2 4.13Å; Y402-L438 HydrophobicContact CD1-CD1 4.17Å
403	L	98.6	Very high	96.6	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-62.6	-34.1	175	-72.7	168	0	0	0	111.8	S399 F400 M401 F405 F406 L407 L413 I416 L430 A433 L434 V437	S399-L403 WeakPolarHBondContact O-CG 3.24Å; S399-L403 PolarHBondContact O-N 3.05Å; S399-L403 VanDerWaalsContact O-N 3.16Å; F400-L403 WeakPolarHBondContact O-CB 3.38Å; F400-L403 PolarHBondContact O-N 3.21Å; F400-L403 VanDerWaalsContact O-N 3.1Å; M401-L403 VanDerWaalsContact C-N 3.28Å; M401-L403 PolarHBondContact O-N 3.26Å; L403-F405 PolarHBondContact O-N 3.35Å; L403-F406 PolarHBondContact O-N 2.95Å; L403-L407 HydrophobicContact CB-CB 4.4Å; L403-L407 HydrophobicContact CD2-CB 4.03Å; L403-L407 HydrophobicContact CD2-CD2 4.36Å; L403-L407 VanDerWaalsContact O-CB 3.3Å; L403-L407 WeakPolarHBondContact O-CB 3.4Å; L403-L407 PolarHBondContact O-N 3.01Å; L403-L413 HydrophobicContact CB-CD1 3.82Å; L403-I416 HydrophobicContact CD1-CD1 4.23Å; L403-I416 HydrophobicContact CD1-CG2 4.27Å; L403-L430 HydrophobicContact CD1-CD1 3.67Å; L403-A433 HydrophobicContact CD1-CB 4.49Å; L403-L434 HydrophobicContact CD2-CB 4.36Å; L403-L434 HydrophobicContact CD2-CD1 4.2Å; L403-L434 HydrophobicContact CG-CB 4.24Å; L403-L434 HydrophobicContact CG-CD1 4.17Å; L403-V437 HydrophobicContact CD2-CB 4.25Å; L403-V437 HydrophobicContact CD2-CG2 3.82Å
404	T	97.3	Very high	96.7	Very high	31 Å²	31	39.1 Å²	39.1	19%	0.19	20%	0.197	C	C	.	.	H	α-helix	trans	-62.7	-27.3	175.9	77.9	0	0	0	0	112.8	R134 I136 F400 M401 Y402 L413	R134-T404 WeakPolarHBondContact CD-O 3.44Å; R134-T404 PolarHBondContact NH1-O 3.26Å; I136-T404 WeakPolarHBondContact CD1-O 3.38Å; F400-T404 HydrophobicContact CD1-CG2 4.04Å; F400-T404 HydrophobicContact CE1-CG2 3.74Å; F400-T404 HydrophobicContact CZ-CG2 4.31Å; F400-T404 WeakPolarHBondContact O-CG2 3.3Å; F400-T404 PolarHBondContact O-N 3.47Å; M401-T404 PolarHBondContact O-N 3.25Å; M401-T404 PolarHBondContact O-OG1 2.99Å; Y402-T404 VanDerWaalsContact C-N 3.28Å; Y402-T404 PolarHBondContact O-N 3.02Å; T404-L413 HydrophobicContact CG2-CD1 4.48Å; T404-L413 HydrophobicContact CG2-CD2 4.28Å
405	F	97.5	Very high	96.8	Very high	8 Å²	8	43 Å²	43	4%	0.035	22%	0.215	C	C	.	.	H	α-helix	trans	-83.3	-46.7	172.9	-67.5	-95.1	0	0	0	112.5	H130 F131 I136 I175 F340 M401 Y402 L403	H130-F405 PolarHBondContact CD2-O 3.31Å; H130-F405 PolarHBondContact NE2-O 3.03Å; F131-F405 HydrophobicContact CE1-CB 4.33Å; F131-F405 HydrophobicContact CE1-CD1 4.25Å; F131-F405 VanDerWaalsContact CE1-O 3.27Å; F131-F405 WeakPolarHBondContact CE1-O 3.21Å; I136-F405 HydrophobicContact CB-CE1 4.3Å; I136-F405 HydrophobicContact CD1-CB 4.44Å; I136-F405 HydrophobicContact CD1-CD1 3.63Å; I136-F405 HydrophobicContact CD1-CD2 4.47Å; I136-F405 HydrophobicContact CD1-CE1 3.97Å; I136-F405 HydrophobicContact CD1-CG 3.92Å; I136-F405 HydrophobicContact CD1-CZ 4.49Å; I136-F405 HydrophobicContact CG1-CD1 4.12Å; I136-F405 HydrophobicContact CG1-CE1 3.91Å; I136-F405 HydrophobicContact CG1-CZ 4.22Å; I136-F405 HydrophobicContact CG2-CD1 3.89Å; I136-F405 HydrophobicContact CG2-CE1 3.43Å; I136-F405 VanDerWaalsContact CG2-CE1 3.43Å; I136-F405 HydrophobicContact CG2-CZ 4.3Å; I175-F405 HydrophobicContact CD1-CB 4.16Å; I175-F405 HydrophobicContact CD1-CD1 3.65Å; I175-F405 HydrophobicContact CD1-CE1 4.45Å; I175-F405 HydrophobicContact CD1-CG 4.23Å; I175-F405 HydrophobicContact CG1-CD1 4.06Å; I175-F405 HydrophobicContact CG1-CE1 4.39Å; I175-F405 HydrophobicContact CG2-CD1 4.26Å; I175-F405 HydrophobicContact CG2-CE1 4.25Å; F340-F405 HydrophobicContact CD2-CB 4.34Å; F340-F405 AromaticContact CD2-CD1 3.78Å; F340-F405 HydrophobicContact CD2-CD1 3.78Å; F340-F405 AromaticContact CD2-CD2 3.72Å; F340-F405 HydrophobicContact CD2-CD2 3.72Å; F340-F405 AromaticContact CD2-CE1 3.89Å; F340-F405 HydrophobicContact CD2-CE1 3.89Å; F340-F405 AromaticContact CD2-CE2 3.88Å; F340-F405 HydrophobicContact CD2-CE2 3.88Å; F340-F405 AromaticContact CD2-CG 3.69Å; F340-F405 HydrophobicContact CD2-CG 3.69Å; F340-F405 AromaticContact CD2-CZ 3.96Å; F340-F405 HydrophobicContact CD2-CZ 3.96Å; F340-F405 HydrophobicContact CE2-CB 3.97Å; F340-F405 HydrophobicContact CE2-CD1 4.27Å; F340-F405 AromaticContact CE2-CD2 3.74Å; F340-F405 HydrophobicContact CE2-CD2 3.74Å; F340-F405 HydrophobicContact CE2-CE2 4.29Å; F340-F405 AromaticContact CE2-CG 3.74Å; F340-F405 HydrophobicContact CE2-CG 3.74Å; M401-F405 VanDerWaalsContact O-CD2 3.23Å; M401-F405 WeakPolarHBondContact O-CD2 3.43Å; Y402-F405 PolarHBondContact O-N 3.39Å; Y402-F405 VanDerWaalsContact O-N 3.15Å; L403-F405 PolarHBondContact O-N 3.35Å
406	F	98.1	Very high	97.2	Very high	16 Å²	16	39.3 Å²	39.3	7%	0.07	20%	0.195	C	C	.	.	H	α-helix	trans	-104.7	-17.7	-165.3	-60	-60.9	0	0	0	116	V171 I175 I178 F340 Y402 L403 E408 V437 L438 L441	V171-F406 HydrophobicContact CB-CE2 4.06Å; V171-F406 HydrophobicContact CB-CZ 3.67Å; V171-F406 HydrophobicContact CG2-CE2 4Å; V171-F406 HydrophobicContact CG2-CZ 4.03Å; I175-F406 HydrophobicContact CD1-CE1 3.75Å; I175-F406 HydrophobicContact CD1-CZ 3.76Å; I178-F406 HydrophobicContact CD1-CE1 4.33Å; F340-F406 HydrophobicContact CE2-CD2 4.33Å; F340-F406 AromaticContact CE2-CE2 3.37Å; F340-F406 HydrophobicContact CE2-CE2 3.37Å; F340-F406 AromaticContact CE2-CZ 3.67Å; F340-F406 HydrophobicContact CE2-CZ 3.67Å; F340-F406 AromaticContact CZ-CE2 3.45Å; F340-F406 HydrophobicContact CZ-CE2 3.45Å; F340-F406 VanDerWaalsContact CZ-CE2 3.45Å; F340-F406 AromaticContact CZ-CZ 3.96Å; F340-F406 HydrophobicContact CZ-CZ 3.96Å; Y402-F406 HydrophobicContact CD1-CE2 4.43Å; Y402-F406 WeakPolarHBondContact O-CD2 3.08Å; Y402-F406 PolarHBondContact O-N 3.1Å; L403-F406 PolarHBondContact O-N 2.95Å; F406-E408 PolarHBondContact O-N 3.17Å; F406-V437 HydrophobicContact CB-CG1 3.74Å; F406-L438 HydrophobicContact CD2-CD2 3.61Å; F406-L438 HydrophobicContact CE2-CD2 4.03Å; F406-L438 HydrophobicContact CG-CD2 4.18Å; F406-L441 HydrophobicContact CB-CD1 4.05Å; F406-L441 HydrophobicContact CD1-CD1 3.58Å; F406-L441 HydrophobicContact CE1-CD1 4.36Å; F406-L441 HydrophobicContact CG-CD1 4.02Å
407	L	97.7	Very high	97.5	Very high	15 Å²	15	42.8 Å²	42.8	8%	0.079	21%	0.206	C	C	.	.			trans	-87.7	101.8	174.7	179.4	63.4	0	0	0	109.7	R134 L403 D409 K412 L413 I416 V437	R134-L407 PolarHBondContact NH1-O 3.12Å; R134-L407 PolarHBondContact NH2-O 2.8Å; L403-L407 HydrophobicContact CB-CB 4.4Å; L403-L407 HydrophobicContact CD2-CB 4.03Å; L403-L407 HydrophobicContact CD2-CD2 4.36Å; L403-L407 VanDerWaalsContact O-CB 3.3Å; L403-L407 WeakPolarHBondContact O-CB 3.4Å; L403-L407 PolarHBondContact O-N 3.01Å; L407-D409 VanDerWaalsContact C-N 3.32Å; L407-D409 PolarHBondContact O-N 3.12Å; L407-K412 HydrophobicContact CD1-CD 4.17Å; L407-K412 HydrophobicContact CD2-CB 4.28Å; L407-K412 HydrophobicContact CD2-CD 4.32Å; L407-K412 HydrophobicContact CD2-CG 4.06Å; L407-L413 HydrophobicContact CD2-CB 4.05Å; L407-L413 HydrophobicContact CD2-CD1 4.32Å; L407-I416 HydrophobicContact CD2-CD1 3.76Å; L407-V437 HydrophobicContact CB-CG2 4.44Å; L407-V437 HydrophobicContact CD1-CG2 4.03Å
408	E	93.6	Very high	97.6	Very high	136 Å²	136	47.7 Å²	47.7	64%	0.636	23%	0.227	S	C	*	.			trans	-66.6	-29.5	-175.3	-62.3	-170.5	171.9	0	0	114.4	R134 F406 D410	R134-E408 PolarHBondContact NH2-O 3.28Å; R134-E408 VanDerWaalsContact NH2-O 3.12Å; F406-E408 PolarHBondContact O-N 3.17Å; E408-D410 PolarHBondContact O-N 3.17Å
409	D	96.9	Very high	97.7	Very high	83 Å²	83	49.8 Å²	49.8	44%	0.444	24%	0.238	S	C	.	.			trans	-70.8	109.6	-178.8	-173.9	-27.8	0	0	0	111.2	L407 D411 K412 L413	L407-D409 VanDerWaalsContact C-N 3.32Å; L407-D409 PolarHBondContact O-N 3.12Å; D409-D411 PolarHBondContact OD1-N 3.28Å; D409-K412 HydrophobicContact CB-CB 3.9Å; D409-K412 PolarHBondContact OD1-N 3.28Å; D409-L413 WeakPolarHBondContact O-CB 3.14Å; D409-L413 PolarHBondContact O-N 2.92Å
410	D	95.7	Very high	97.7	Very high	42 Å²	42	49.8 Å²	49.8	23%	0.225	24%	0.238	C	C	.	.	H	α-helix	trans	-66.5	-38.3	-178.9	-69.9	-29.7	0	0	0	112.2	R127 R133 R134 E408 L413 E414	R127-D410 IonicContact CZ-OD2 3.31Å; R127-D410 IonicContact NH2-OD2 2.89Å; R127-D410 PolarHBondContact NH2-OD2 3.2Å; R133-D410 IonicContact CZ-OD2 2.67Å; R133-D410 VanDerWaalsContact CZ-OD2 3.27Å; R133-D410 IonicContact NE-OD2 2.65Å; R133-D410 PolarHBondContact NE-OD2 3.46Å; R133-D410 IonicContact NH2-OD1 2.64Å; R133-D410 PolarHBondContact NH2-OD1 3.04Å; R133-D410 IonicContact NH2-OD2 3.48Å; R133-D410 PolarHBondContact NH2-OD2 3.38Å; R134-D410 IonicContact CZ-OD1 2.81Å; R134-D410 VanDerWaalsContact CZ-OD1 3.27Å; R134-D410 IonicContact NE-OD1 3.63Å; R134-D410 PolarHBondContact NE-OD1 2.78Å; R134-D410 IonicContact NH2-OD1 2.66Å; R134-D410 PolarHBondContact NH2-OD1 3.36Å; E408-D410 PolarHBondContact O-N 3.17Å; D410-L413 PolarHBondContact O-N 2.85Å; D410-E414 WeakPolarHBondContact O-CB 3.2Å; D410-E414 PolarHBondContact O-N 3.08Å
411	D	97.5	Very high	97.7	Very high	138 Å²	138	51.9 Å²	51.9	74%	0.738	25%	0.253	S	S	*	.	H	α-helix	trans	-71.6	-41.7	-177.3	-67	-34.1	0	0	0	110.2	D409 E414 Q415	D409-D411 PolarHBondContact OD1-N 3.28Å; D411-E414 PolarHBondContact O-N 3.16Å; D411-Q415 WeakPolarHBondContact O-CB 3.37Å; D411-Q415 PolarHBondContact O-N 3.46Å
412	K	98.3	Very high	97.9	Very high	109 Å²	109	54 Å²	54	47%	0.474	27%	0.27	S	S	.	.	H	α-helix	trans	-64.9	-41.7	174.9	-172.4	174	172.6	-176.7	0	111.8	L407 D409 Q415 I416	L407-K412 HydrophobicContact CD1-CD 4.17Å; L407-K412 HydrophobicContact CD2-CB 4.28Å; L407-K412 HydrophobicContact CD2-CD 4.32Å; L407-K412 HydrophobicContact CD2-CG 4.06Å; D409-K412 HydrophobicContact CB-CB 3.9Å; D409-K412 PolarHBondContact OD1-N 3.28Å; K412-Q415 PolarHBondContact O-N 3.07Å; K412-I416 HydrophobicContact CG-CD1 4.3Å; K412-I416 VanDerWaalsContact O-CG1 3.29Å; K412-I416 WeakPolarHBondContact O-CG1 3.33Å; K412-I416 PolarHBondContact O-N 2.97Å
413	L	98.5	Very high	97.9	Very high	15 Å²	15	54.1 Å²	54.1	8%	0.079	27%	0.271	C	S	.	.	H	α-helix	trans	-62.8	-43.7	176.3	-178.1	66.5	0	0	0	111.4	R134 F400 L403 T404 L407 D409 D410 Q415 I416 R417	R134-L413 VanDerWaalsContact CZ-CD2 3.47Å; F400-L413 HydrophobicContact CE2-CD1 3.86Å; F400-L413 HydrophobicContact CE2-CG 4.47Å; F400-L413 HydrophobicContact CZ-CD1 4.12Å; F400-L413 HydrophobicContact CZ-CG 4.41Å; L403-L413 HydrophobicContact CB-CD1 3.82Å; T404-L413 HydrophobicContact CG2-CD1 4.48Å; T404-L413 HydrophobicContact CG2-CD2 4.28Å; L407-L413 HydrophobicContact CD2-CB 4.05Å; L407-L413 HydrophobicContact CD2-CD1 4.32Å; D409-L413 WeakPolarHBondContact O-CB 3.14Å; D409-L413 PolarHBondContact O-N 2.92Å; D410-L413 PolarHBondContact O-N 2.85Å; L413-Q415 VanDerWaalsContact C-N 3.34Å; L413-Q415 PolarHBondContact O-N 3.42Å; L413-I416 PolarHBondContact O-N 3.19Å; L413-R417 PolarHBondContact O-N 2.92Å
414	E	98.4	Very high	97.9	Very high	67 Å²	67	56.8 Å²	56.8	31%	0.313	29%	0.293	S	S	.	.	H	α-helix	trans	-65.9	-36.9	178.1	177.1	57.3	-165.8	0	0	112	D410 D411 R417 K418	D410-E414 WeakPolarHBondContact O-CB 3.2Å; D410-E414 PolarHBondContact O-N 3.08Å; D411-E414 PolarHBondContact O-N 3.16Å; E414-R417 WeakPolarHBondContact O-CB 3.28Å; E414-R417 PolarHBondContact O-N 3.26Å; E414-R417 IonicContact OE1-CZ 3.56Å; E414-R417 IonicContact OE1-NE 2.77Å; E414-R417 PolarHBondContact OE1-NE 2.7Å; E414-R417 IonicContact OE1-NH2 3.5Å; E414-R417 PolarHBondContact OE1-NH2 2.87Å; E414-R417 IonicContact OE2-CZ 3.61Å; E414-R417 IonicContact OE2-NE 2.96Å; E414-R417 PolarHBondContact OE2-NE 2.9Å; E414-R417 IonicContact OE2-NH2 3.34Å; E414-K418 WeakPolarHBondContact O-CG 3.34Å; E414-K418 PolarHBondContact O-N 2.94Å; E414-K418 WeakPolarHBondContact OE1-CE 3.42Å; E414-K418 IonicContact OE1-NZ 3.94Å
415	Q	98.7	Very high	97.9	Very high	90 Å²	90	56.7 Å²	56.7	42%	0.421	29%	0.291	S	S	.	.	H	α-helix	trans	-64	-45.3	173.5	-171.5	57.1	46.6	0	0	111.4	D411 K412 L413 R417 K418 D419	D411-Q415 WeakPolarHBondContact O-CB 3.37Å; D411-Q415 PolarHBondContact O-N 3.46Å; K412-Q415 PolarHBondContact O-N 3.07Å; L413-Q415 VanDerWaalsContact C-N 3.34Å; L413-Q415 PolarHBondContact O-N 3.42Å; Q415-R417 VanDerWaalsContact C-N 3.28Å; Q415-R417 PolarHBondContact O-N 3.02Å; Q415-K418 PolarHBondContact O-N 3.32Å; Q415-D419 PolarHBondContact NE2-OD1 3Å; Q415-D419 PolarHBondContact NE2-OD2 2.75Å; Q415-D419 WeakPolarHBondContact O-CB 3.46Å; Q415-D419 VanDerWaalsContact O-CG 3.28Å; Q415-D419 PolarHBondContact O-N 3.16Å
416	I	98.8	Very high	98	Very high	9 Å²	9	58.2 Å²	58.2	5%	0.046	30%	0.299	C	S	.	.	H	α-helix	trans	-57.2	-43.2	174	-69.9	167.3	0	0	0	110.7	F400 L403 L407 K412 L413 D419 Y420 M425 L430 A433	F400-I416 HydrophobicContact CD2-CG2 4.04Å; F400-I416 HydrophobicContact CE2-CG2 4.22Å; L403-I416 HydrophobicContact CD1-CD1 4.23Å; L403-I416 HydrophobicContact CD1-CG2 4.27Å; L407-I416 HydrophobicContact CD2-CD1 3.76Å; K412-I416 HydrophobicContact CG-CD1 4.3Å; K412-I416 VanDerWaalsContact O-CG1 3.29Å; K412-I416 WeakPolarHBondContact O-CG1 3.33Å; K412-I416 PolarHBondContact O-N 2.97Å; L413-I416 PolarHBondContact O-N 3.19Å; I416-D419 PolarHBondContact O-N 3.1Å; I416-Y420 VanDerWaalsContact O-CB 3.31Å; I416-Y420 WeakPolarHBondContact O-CB 3.24Å; I416-Y420 PolarHBondContact O-N 2.98Å; I416-M425 HydrophobicContact CG1-CE 4.16Å; I416-M425 HydrophobicContact CG2-SD 4.05Å; I416-L430 HydrophobicContact CG2-CD1 3.45Å; I416-L430 VanDerWaalsContact CG2-CD1 3.45Å; I416-A433 HydrophobicContact CD1-CB 4.47Å
417	R	98.7	Very high	98	Very high	95 Å²	95	58.8 Å²	58.8	36%	0.358	30%	0.304	S	S	.	.	H	α-helix	trans	-59.4	-49.1	177.2	-165.3	-171.2	66.6	76.6	2.1	111.3	C394 F400 L413 E414 Q415 T421	C394-R417 HydrophobicContact CB-CG 4.41Å; F400-R417 HydrophobicContact CE1-CG 4.39Å; F400-R417 HydrophobicContact CE2-CB 3.64Å; F400-R417 HydrophobicContact CE2-CG 4.03Å; F400-R417 HydrophobicContact CZ-CB 3.65Å; F400-R417 HydrophobicContact CZ-CG 3.65Å; L413-R417 PolarHBondContact O-N 2.92Å; E414-R417 WeakPolarHBondContact O-CB 3.28Å; E414-R417 PolarHBondContact O-N 3.26Å; E414-R417 IonicContact OE1-CZ 3.56Å; E414-R417 IonicContact OE1-NE 2.77Å; E414-R417 PolarHBondContact OE1-NE 2.7Å; E414-R417 IonicContact OE1-NH2 3.5Å; E414-R417 PolarHBondContact OE1-NH2 2.87Å; E414-R417 IonicContact OE2-CZ 3.61Å; E414-R417 IonicContact OE2-NE 2.96Å; E414-R417 PolarHBondContact OE2-NE 2.9Å; E414-R417 IonicContact OE2-NH2 3.34Å; Q415-R417 VanDerWaalsContact C-N 3.28Å; Q415-R417 PolarHBondContact O-N 3.02Å; R417-T421 VanDerWaalsContact O-CB 3.26Å; R417-T421 WeakPolarHBondContact O-CB 3.23Å; R417-T421 PolarHBondContact O-N 3.2Å; R417-T421 PolarHBondContact O-OG1 3.11Å
418	K	98.7	Very high	98	Very high	102 Å²	102	60.5 Å²	60.5	44%	0.443	33%	0.325	S	S	.	.	H	α-helix	trans	-61.8	-45.4	178.3	-71.9	172.1	-176.1	165.6	0	111.8	E414 Q415 S422	E414-K418 WeakPolarHBondContact O-CG 3.34Å; E414-K418 PolarHBondContact O-N 2.94Å; E414-K418 WeakPolarHBondContact OE1-CE 3.42Å; E414-K418 IonicContact OE1-NZ 3.94Å; Q415-K418 PolarHBondContact O-N 3.32Å; K418-S422 VanDerWaalsContact O-CB 3.23Å; K418-S422 WeakPolarHBondContact O-CB 3.36Å; K418-S422 PolarHBondContact O-N 3.39Å; K418-S422 PolarHBondContact O-OG 3.05Å
419	D	98.8	Very high	98.2	Very high	45 Å²	45	58.3 Å²	58.3	24%	0.241	32%	0.315	C	S	.	.	H	α-helix	trans	-68.9	-39.3	-177.2	-66.1	-24.3	0	0	0	111.5	Q415 I416 S422 G423 A424 M425	Q415-D419 PolarHBondContact NE2-OD1 3Å; Q415-D419 PolarHBondContact NE2-OD2 2.75Å; Q415-D419 WeakPolarHBondContact O-CB 3.46Å; Q415-D419 VanDerWaalsContact O-CG 3.28Å; Q415-D419 PolarHBondContact O-N 3.16Å; I416-D419 PolarHBondContact O-N 3.1Å; D419-S422 PolarHBondContact O-OG 3.48Å; D419-S422 VanDerWaalsContact O-OG 3.12Å; D419-G423 CarbonylContact O-C 3.45Å; D419-G423 PolarHBondContact O-N 3.03Å; D419-A424 HydrophobicContact CB-CB 4.26Å; D419-A424 WeakPolarHBondContact O-CA 3.29Å; D419-A424 PolarHBondContact O-N 2.82Å; D419-M425 HydrophobicContact CB-CB 3.74Å; D419-M425 HydrophobicContact CB-CE 4.28Å; D419-M425 PolarHBondContact O-N 2.89Å
420	Y	98.7	Very high	98.3	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-70.2	-46.1	177.6	-167.3	-121.6	0	0	0	112.1	G380 H387 G392 D397 I416 S422 G423 M425 T427 L430	G380-Y420 WeakPolarHBondContact CA-OH 3.38Å; G380-Y420 PolarHBondContact N-OH 3.31Å; H387-Y420 AromaticContact CE1-CD2 3.89Å; H387-Y420 AromaticContact CE1-CE2 3.36Å; H387-Y420 WeakPolarHBondContact CE1-CE2 3.22Å; H387-Y420 AromaticContact CE1-CZ 3.9Å; H387-Y420 AromaticContact NE2-CD2 3.87Å; H387-Y420 AromaticContact NE2-CE2 3.75Å; G392-Y420 PolarHBondContact N-O 3.41Å; D397-Y420 HydrophobicContact CB-CE1 3.95Å; D397-Y420 PolarHBondContact OD2-OH 3.14Å; I416-Y420 VanDerWaalsContact O-CB 3.31Å; I416-Y420 WeakPolarHBondContact O-CB 3.24Å; I416-Y420 PolarHBondContact O-N 2.98Å; Y420-S422 VanDerWaalsContact C-N 3.31Å; Y420-S422 PolarHBondContact O-N 3.43Å; Y420-G423 PolarHBondContact O-N 3.2Å; Y420-G423 VanDerWaalsContact O-N 3.15Å; Y420-M425 WeakPolarHBondContact CD2-O 3.15Å; Y420-T427 PolarHBondContact OH-OG1 2.78Å; Y420-T427 VanDerWaalsContact OH-OG1 3.05Å; Y420-L430 HydrophobicContact CD1-CD2 3.88Å; Y420-L430 HydrophobicContact CD2-CB 4.26Å; Y420-L430 HydrophobicContact CD2-CD2 3.94Å; Y420-L430 HydrophobicContact CE1-CD2 3.67Å; Y420-L430 HydrophobicContact CE2-CB 4.29Å; Y420-L430 HydrophobicContact CE2-CD2 3.79Å; Y420-L430 HydrophobicContact CG-CD2 3.99Å
421	T	98.4	Very high	98.4	Very high	63 Å²	63	53.3 Å²	53.3	39%	0.387	29%	0.287	S	S	.	.	H	α-helix	trans	-69.6	-26.2	-179.8	-59.3	0	0	0	0	113.1	G391 G392 R417	G391-T421 WeakPolarHBondContact CA-O 3.29Å; G392-T421 WeakPolarHBondContact O-CA 3.24Å; R417-T421 VanDerWaalsContact O-CB 3.26Å; R417-T421 WeakPolarHBondContact O-CB 3.23Å; R417-T421 PolarHBondContact O-N 3.2Å; R417-T421 PolarHBondContact O-OG1 3.11Å
422	S	98.2	Very high	98.5	Very high	70 Å²	70	52.7 Å²	52.7	49%	0.49	28%	0.278	S	S	.	.	H	α-helix	trans	-83.2	-12.4	173.2	61.1	0	0	0	0	113.7	K418 D419 Y420 A424	K418-S422 VanDerWaalsContact O-CB 3.23Å; K418-S422 WeakPolarHBondContact O-CB 3.36Å; K418-S422 PolarHBondContact O-N 3.39Å; K418-S422 PolarHBondContact O-OG 3.05Å; D419-S422 PolarHBondContact O-OG 3.48Å; D419-S422 VanDerWaalsContact O-OG 3.12Å; Y420-S422 VanDerWaalsContact C-N 3.31Å; Y420-S422 PolarHBondContact O-N 3.43Å; S422-A424 VanDerWaalsContact C-N 3.33Å; S422-A424 PolarHBondContact OG-N 3.39Å
423	G	98.1	Very high	98.5	Very high	2 Å²	2	48.4 Å²	48.4	2%	0.021	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.5	0.5	-172.9	0	0	0	0	0	114.4	H387 R388 D419 Y420 M425	H387-G423 WeakPolarHBondContact O-CA 3.33Å; R388-G423 WeakPolarHBondContact CD-O 3.47Å; R388-G423 PolarHBondContact NH1-O 3.21Å; D419-G423 CarbonylContact O-C 3.45Å; D419-G423 PolarHBondContact O-N 3.03Å; Y420-G423 PolarHBondContact O-N 3.2Å; Y420-G423 VanDerWaalsContact O-N 3.15Å; G423-M425 VanDerWaalsContact C-N 3.32Å; G423-M425 PolarHBondContact O-N 3.14Å
424	A	98.4	Very high	98.5	Very high	56 Å²	56	47.7 Å²	47.7	46%	0.463	26%	0.259	S	S	.	.	S	Bend	trans	-67.5	-28.7	175.5	0	0	0	0	0	113.3	R388 D419 S422	R388-A424 PolarHBondContact NH1-O 3.26Å; D419-A424 HydrophobicContact CB-CB 4.26Å; D419-A424 WeakPolarHBondContact O-CA 3.29Å; D419-A424 PolarHBondContact O-N 2.82Å; S422-A424 VanDerWaalsContact C-N 3.33Å; S422-A424 PolarHBondContact OG-N 3.39Å
425	M	98.6	Very high	98.6	Very high	29 Å²	29	45 Å²	45	14%	0.143	25%	0.247	C	C	.	.	S	Bend	trans	-107.9	129.7	172	-178.8	178.5	-67.4	0	0	110.3	H387 I416 D419 Y420 G423 E429 L430	H387-M425 PolarHBondContact NE2-O 2.68Å; I416-M425 HydrophobicContact CG1-CE 4.16Å; I416-M425 HydrophobicContact CG2-SD 4.05Å; D419-M425 HydrophobicContact CB-CB 3.74Å; D419-M425 HydrophobicContact CB-CE 4.28Å; D419-M425 PolarHBondContact O-N 2.89Å; Y420-M425 WeakPolarHBondContact CD2-O 3.15Å; G423-M425 VanDerWaalsContact C-N 3.32Å; G423-M425 PolarHBondContact O-N 3.14Å; M425-E429 HydrophobicContact CG-CB 3.72Å; M425-L430 HydrophobicContact SD-CB 4.08Å; M425-L430 HydrophobicContact SD-CD1 4.32Å
426	L	98.5	Very high	98.6	Very high	41 Å²	41	45.8 Å²	45.8	22%	0.215	25%	0.251	C	S	.	.			trans	-82.8	159.1	174.3	-60.4	178.6	0	0	0	111.7	I384 G428 E429 L430	I384-L426 HydrophobicContact CG2-CD2 4.23Å; L426-G428 PolarHBondContact O-N 2.88Å; L426-E429 HydrophobicContact CB-CG 4.39Å; L426-E429 WeakPolarHBondContact CB-OE2 3.1Å; L426-E429 PolarHBondContact N-OE2 3.44Å; L426-E429 WeakPolarHBondContact O-CA 3.47Å; L426-E429 WeakPolarHBondContact O-CB 3.19Å; L426-E429 PolarHBondContact O-N 3.42Å; L426-L430 PolarHBondContact O-N 2.73Å
427	T	98.2	Very high	98.5	Very high	27 Å²	27	46.6 Å²	46.6	17%	0.166	26%	0.256	C	S	.	.	H	α-helix	trans	-54.4	-39.2	176	-57.3	0	0	0	0	112.8	S378 Y420 E429 L430 K431	S378-T427 WeakPolarHBondContact OG-CG2 3.49Å; S378-T427 PolarHBondContact OG-OG1 2.71Å; Y420-T427 PolarHBondContact OH-OG1 2.78Å; Y420-T427 VanDerWaalsContact OH-OG1 3.05Å; T427-E429 PolarHBondContact O-N 3.31Å; T427-L430 PolarHBondContact O-N 3.01Å; T427-K431 HydrophobicContact CG2-CD 4.26Å; T427-K431 HydrophobicContact CG2-CG 4.37Å; T427-K431 WeakPolarHBondContact O-CB 3.17Å; T427-K431 WeakPolarHBondContact O-CG 3.09Å; T427-K431 PolarHBondContact O-N 3.36Å
428	G	97.9	Very high	98.5	Very high	51 Å²	51	42 Å²	42	53%	0.526	24%	0.238	S	C	.	.	H	α-helix	trans	-61.9	-33	177.1	0	0	0	0	0	113.1	L426 K432	L426-G428 PolarHBondContact O-N 2.88Å; G428-K432 WeakPolarHBondContact O-CB 3.48Å; G428-K432 PolarHBondContact O-N 3.02Å; G428-K432 VanDerWaalsContact O-N 3.08Å
429	E	98.5	Very high	98.5	Very high	91 Å²	91	39.9 Å²	39.9	43%	0.425	23%	0.23	S	C	.	.	H	α-helix	trans	-77.2	-41.1	177.5	-60.7	175.2	97.2	0	0	111.1	M425 L426 T427 K432 A433	M425-E429 HydrophobicContact CG-CB 3.72Å; L426-E429 HydrophobicContact CB-CG 4.39Å; L426-E429 WeakPolarHBondContact CB-OE2 3.1Å; L426-E429 PolarHBondContact N-OE2 3.44Å; L426-E429 WeakPolarHBondContact O-CA 3.47Å; L426-E429 WeakPolarHBondContact O-CB 3.19Å; L426-E429 PolarHBondContact O-N 3.42Å; T427-E429 PolarHBondContact O-N 3.31Å; E429-K432 WeakPolarHBondContact O-CB 3.1Å; E429-K432 PolarHBondContact O-N 3Å; E429-A433 PolarHBondContact O-N 3.31Å
430	L	98.8	Very high	98.5	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-60.2	-46.9	173.3	178.4	65.2	0	0	0	111.7	D397 F400 L403 I416 Y420 M425 L426 T427 K432 A433 L434	D397-L430 HydrophobicContact CB-CD2 4.4Å; D397-L430 VanDerWaalsContact OD1-CD2 3.32Å; D397-L430 WeakPolarHBondContact OD1-CD2 3.34Å; F400-L430 HydrophobicContact CB-CD1 4.4Å; F400-L430 HydrophobicContact CB-CD2 4.15Å; F400-L430 HydrophobicContact CD2-CD1 4.4Å; L403-L430 HydrophobicContact CD1-CD1 3.67Å; I416-L430 HydrophobicContact CG2-CD1 3.45Å; I416-L430 VanDerWaalsContact CG2-CD1 3.45Å; Y420-L430 HydrophobicContact CD1-CD2 3.88Å; Y420-L430 HydrophobicContact CD2-CB 4.26Å; Y420-L430 HydrophobicContact CD2-CD2 3.94Å; Y420-L430 HydrophobicContact CE1-CD2 3.67Å; Y420-L430 HydrophobicContact CE2-CB 4.29Å; Y420-L430 HydrophobicContact CE2-CD2 3.79Å; Y420-L430 HydrophobicContact CG-CD2 3.99Å; M425-L430 HydrophobicContact SD-CB 4.08Å; M425-L430 HydrophobicContact SD-CD1 4.32Å; L426-L430 PolarHBondContact O-N 2.73Å; T427-L430 PolarHBondContact O-N 3.01Å; L430-K432 VanDerWaalsContact C-N 3.3Å; L430-K432 PolarHBondContact O-N 3.24Å; L430-A433 WeakPolarHBondContact O-CB 3.45Å; L430-A433 PolarHBondContact O-N 3.33Å; L430-L434 PolarHBondContact O-N 3.01Å
431	K	98.7	Very high	98.5	Very high	20 Å²	20	43.1 Å²	43.1	9%	0.087	25%	0.251	C	S	.	.	H	α-helix	trans	-60.3	-40.9	174.8	-75.7	-172.2	178.1	-152.6	0	111.7	V372 N373 A376 S399 T427 L434 I435	V372-K431 HydrophobicContact CG1-CB 3.96Å; V372-K431 HydrophobicContact CG1-CD 4.44Å; V372-K431 HydrophobicContact CG1-CG 4.06Å; V372-K431 PolarHBondContact O-NZ 2.98Å; N373-K431 PolarHBondContact O-NZ 3.31Å; A376-K431 WeakPolarHBondContact O-CE 3Å; A376-K431 PolarHBondContact O-NZ 3.46Å; S399-K431 WeakPolarHBondContact OG-CG 3.31Å; T427-K431 HydrophobicContact CG2-CD 4.26Å; T427-K431 HydrophobicContact CG2-CG 4.37Å; T427-K431 WeakPolarHBondContact O-CB 3.17Å; T427-K431 WeakPolarHBondContact O-CG 3.09Å; T427-K431 PolarHBondContact O-N 3.36Å; K431-L434 PolarHBondContact O-N 2.94Å; K431-I435 WeakPolarHBondContact O-CD1 3.48Å; K431-I435 WeakPolarHBondContact O-CG1 3.44Å; K431-I435 PolarHBondContact O-N 3.13Å
432	K	98.8	Very high	98.5	Very high	125 Å²	125	40.1 Å²	40.1	54%	0.543	23%	0.233	S	C	.	.	H	α-helix	trans	-61.2	-44.6	174.6	-178.7	-178.1	169	-171.8	0	111.3	G428 E429 L430 L434 I435 E436	G428-K432 WeakPolarHBondContact O-CB 3.48Å; G428-K432 PolarHBondContact O-N 3.02Å; G428-K432 VanDerWaalsContact O-N 3.08Å; E429-K432 WeakPolarHBondContact O-CB 3.1Å; E429-K432 PolarHBondContact O-N 3Å; L430-K432 VanDerWaalsContact C-N 3.3Å; L430-K432 PolarHBondContact O-N 3.24Å; K432-L434 VanDerWaalsContact C-N 3.32Å; K432-L434 PolarHBondContact O-N 3.16Å; K432-I435 PolarHBondContact O-N 2.79Å; K432-I435 VanDerWaalsContact O-N 3.15Å; K432-E436 WeakPolarHBondContact CE-OE1 3.2Å; K432-E436 IonicContact NZ-OE1 3.92Å; K432-E436 WeakPolarHBondContact O-CG 3.49Å; K432-E436 PolarHBondContact O-N 3.3Å
433	A	98.7	Very high	98.5	Very high	19 Å²	19	39.2 Å²	39.2	16%	0.157	23%	0.23	C	C	.	.	H	α-helix	trans	-59.7	-41.7	176.2	0	0	0	0	0	112	L403 I416 E429 L430 E436 V437	L403-A433 HydrophobicContact CD1-CB 4.49Å; I416-A433 HydrophobicContact CD1-CB 4.47Å; E429-A433 PolarHBondContact O-N 3.31Å; L430-A433 WeakPolarHBondContact O-CB 3.45Å; L430-A433 PolarHBondContact O-N 3.33Å; A433-E436 PolarHBondContact O-N 3.23Å; A433-V437 WeakPolarHBondContact O-CG2 3.28Å; A433-V437 PolarHBondContact O-N 3.04Å
434	L	98.8	Very high	98.5	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-62.2	-45.2	173.2	175.5	62	0	0	0	112.2	V372 Y402 L403 L430 K431 K432 E436 V437 L438	V372-L434 HydrophobicContact CG1-CD2 3.96Å; V372-L434 HydrophobicContact CG2-CD2 4.02Å; V372-L434 HydrophobicContact CG2-CG 4.47Å; Y402-L434 VanDerWaalsContact CB-CD1 3.48Å; Y402-L434 HydrophobicContact CD1-CD1 4.37Å; Y402-L434 HydrophobicContact CD1-CD2 4.13Å; Y402-L434 HydrophobicContact CG-CD1 4.4Å; Y402-L434 HydrophobicContact CG-CD2 4.13Å; L403-L434 HydrophobicContact CD2-CB 4.36Å; L403-L434 HydrophobicContact CD2-CD1 4.2Å; L403-L434 HydrophobicContact CG-CB 4.24Å; L403-L434 HydrophobicContact CG-CD1 4.17Å; L430-L434 PolarHBondContact O-N 3.01Å; K431-L434 PolarHBondContact O-N 2.94Å; K432-L434 VanDerWaalsContact C-N 3.32Å; K432-L434 PolarHBondContact O-N 3.16Å; L434-E436 VanDerWaalsContact C-N 3.27Å; L434-E436 PolarHBondContact O-N 3.39Å; L434-V437 PolarHBondContact O-N 2.83Å; L434-V437 VanDerWaalsContact O-N 3.09Å; L434-L438 HydrophobicContact CD1-CD1 3.73Å; L434-L438 HydrophobicContact CD1-CD2 4.16Å; L434-L438 HydrophobicContact CD1-CG 3.61Å; L434-L438 HydrophobicContact CD2-CD1 4.15Å; L434-L438 HydrophobicContact CG-CD1 3.77Å; L434-L438 HydrophobicContact CG-CG 4.04Å; L434-L438 WeakPolarHBondContact O-CG 3.32Å; L434-L438 PolarHBondContact O-N 3.31Å
435	I	98.8	Very high	98.5	Very high	11 Å²	11	41.9 Å²	41.9	6%	0.056	23%	0.232	C	C	.	.	H	α-helix	trans	-59.6	-41.5	179.1	-68.7	159.4	0	0	0	110.8	K369 V372 K431 K432 V437 L438 Q439	K369-I435 HydrophobicContact CB-CD1 4.24Å; K369-I435 HydrophobicContact CB-CG2 4.2Å; K369-I435 HydrophobicContact CG-CD1 4Å; V372-I435 HydrophobicContact CB-CD1 4.18Å; V372-I435 HydrophobicContact CB-CG1 3.88Å; V372-I435 HydrophobicContact CG1-CD1 4.11Å; V372-I435 HydrophobicContact CG1-CG1 3.9Å; V372-I435 HydrophobicContact CG2-CG1 4.17Å; K431-I435 WeakPolarHBondContact O-CD1 3.48Å; K431-I435 WeakPolarHBondContact O-CG1 3.44Å; K431-I435 PolarHBondContact O-N 3.13Å; K432-I435 PolarHBondContact O-N 2.79Å; K432-I435 VanDerWaalsContact O-N 3.15Å; I435-V437 PolarHBondContact O-N 3.05Å; I435-L438 PolarHBondContact O-N 3.2Å; I435-Q439 VanDerWaalsContact CG2-CD 3.48Å; I435-Q439 HydrophobicContact CG2-CG 3.95Å; I435-Q439 WeakPolarHBondContact O-CB 3.46Å; I435-Q439 WeakPolarHBondContact O-CG 3.46Å; I435-Q439 PolarHBondContact O-N 2.83Å
436	E	98.6	Very high	98.5	Very high	106 Å²	106	43 Å²	43	50%	0.495	24%	0.237	S	C	.	.	H	α-helix	trans	-67.1	-20.9	177.8	-72.6	174	176.5	0	0	113.4	K432 A433 L434 P440	K432-E436 WeakPolarHBondContact CE-OE1 3.2Å; K432-E436 IonicContact NZ-OE1 3.92Å; K432-E436 WeakPolarHBondContact O-CG 3.49Å; K432-E436 PolarHBondContact O-N 3.3Å; A433-E436 PolarHBondContact O-N 3.23Å; L434-E436 VanDerWaalsContact C-N 3.27Å; L434-E436 PolarHBondContact O-N 3.39Å; E436-P440 WeakPolarHBondContact O-CD 3.44Å; E436-P440 VanDerWaalsContact O-CG 3.28Å; E436-P440 WeakPolarHBondContact O-CG 3.44Å
437	V	98.6	Very high	98.5	Very high	25 Å²	25	43.3 Å²	43.3	15%	0.152	25%	0.245	C	C	.	.	H	α-helix	trans	-87	-46	171.8	171.8	0	0	0	0	111.5	L403 F406 L407 A433 L434 I435 P440 L441	L403-V437 HydrophobicContact CD2-CB 4.25Å; L403-V437 HydrophobicContact CD2-CG2 3.82Å; F406-V437 HydrophobicContact CB-CG1 3.74Å; L407-V437 HydrophobicContact CB-CG2 4.44Å; L407-V437 HydrophobicContact CD1-CG2 4.03Å; A433-V437 WeakPolarHBondContact O-CG2 3.28Å; A433-V437 PolarHBondContact O-N 3.04Å; L434-V437 PolarHBondContact O-N 2.83Å; L434-V437 VanDerWaalsContact O-N 3.09Å; I435-V437 PolarHBondContact O-N 3.05Å; V437-P440 WeakPolarHBondContact O-CD 3.38Å; V437-L441 WeakPolarHBondContact O-CB 3.41Å; V437-L441 PolarHBondContact O-N 3.5Å
438	L	98.6	Very high	98.5	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-71.7	-38.2	-174.7	-69.1	-177.9	0	0	0	113.4	I359 I368 V372 Y402 F406 L434 I435 L441 I442	I359-L438 HydrophobicContact CG1-CD1 4.19Å; I368-L438 HydrophobicContact CG2-CB 3.91Å; I368-L438 HydrophobicContact CG2-CD1 4.2Å; V372-L438 HydrophobicContact CG2-CD1 4.18Å; Y402-L438 HydrophobicContact CD1-CD1 4.17Å; F406-L438 HydrophobicContact CD2-CD2 3.61Å; F406-L438 HydrophobicContact CE2-CD2 4.03Å; F406-L438 HydrophobicContact CG-CD2 4.18Å; L434-L438 HydrophobicContact CD1-CD1 3.73Å; L434-L438 HydrophobicContact CD1-CD2 4.16Å; L434-L438 HydrophobicContact CD1-CG 3.61Å; L434-L438 HydrophobicContact CD2-CD1 4.15Å; L434-L438 HydrophobicContact CG-CD1 3.77Å; L434-L438 HydrophobicContact CG-CG 4.04Å; L434-L438 WeakPolarHBondContact O-CG 3.32Å; L434-L438 PolarHBondContact O-N 3.31Å; I435-L438 PolarHBondContact O-N 3.2Å; L438-L441 PolarHBondContact O-N 3.27Å; L438-I442 HydrophobicContact CB-CD1 4.43Å; L438-I442 WeakPolarHBondContact O-CB 3.49Å; L438-I442 WeakPolarHBondContact O-CG1 3.42Å; L438-I442 PolarHBondContact O-N 3.27Å
439	Q	98.7	Very high	98.5	Very high	56 Å²	56	46.4 Å²	46.4	26%	0.262	24%	0.238	S	C	.	.	H	α-helix	trans	-62.2	-49.7	-176.9	-75.3	-179.6	-14.8	0	0	112.4	A365 I368 I435 A443	A365-Q439 HydrophobicContact CB-CG 4.11Å; A365-Q439 PolarHBondContact O-NE2 3.21Å; I368-Q439 HydrophobicContact CB-CG 4.38Å; I368-Q439 HydrophobicContact CD1-CG 4.22Å; I368-Q439 HydrophobicContact CG2-CG 4.25Å; I435-Q439 VanDerWaalsContact CG2-CD 3.48Å; I435-Q439 HydrophobicContact CG2-CG 3.95Å; I435-Q439 WeakPolarHBondContact O-CB 3.46Å; I435-Q439 WeakPolarHBondContact O-CG 3.46Å; I435-Q439 PolarHBondContact O-N 2.83Å; Q439-A443 VanDerWaalsContact O-CB 3.23Å; Q439-A443 WeakPolarHBondContact O-CB 3.11Å; Q439-A443 PolarHBondContact O-N 3.21Å
440	P	98.4	Very high	98.5	Very high	74 Å²	74	50.5 Å²	50.5	48%	0.481	25%	0.254	S	S	.	.	H	α-helix	trans	-63	-44.1	174.7	-23.3	35.2	0	0	0	112.7	E436 V437 I442 A443 E444	E436-P440 WeakPolarHBondContact O-CD 3.44Å; E436-P440 VanDerWaalsContact O-CG 3.28Å; E436-P440 WeakPolarHBondContact O-CG 3.44Å; V437-P440 WeakPolarHBondContact O-CD 3.38Å; P440-I442 VanDerWaalsContact C-N 3.34Å; P440-I442 PolarHBondContact O-N 3.2Å; P440-A443 PolarHBondContact O-N 3.43Å; P440-E444 WeakPolarHBondContact O-CB 3.3Å; P440-E444 PolarHBondContact O-N 3.35Å
441	L	97.9	Very high	98.5	Very high	39 Å²	39	57.2 Å²	57.2	20%	0.204	29%	0.286	C	S	.	.	H	α-helix	trans	-56.7	-48	-179.7	-177.7	156.6	0	0	0	111.6	F406 V437 L438 H445	F406-L441 HydrophobicContact CB-CD1 4.05Å; F406-L441 HydrophobicContact CD1-CD1 3.58Å; F406-L441 HydrophobicContact CE1-CD1 4.36Å; F406-L441 HydrophobicContact CG-CD1 4.02Å; V437-L441 WeakPolarHBondContact O-CB 3.41Å; V437-L441 PolarHBondContact O-N 3.5Å; L438-L441 PolarHBondContact O-N 3.27Å; L441-H445 WeakPolarHBondContact O-CB 3.48Å; L441-H445 PolarHBondContact O-N 2.98Å
442	I	98.6	Very high	98.5	Very high	1 Å²	1	57 Å²	57	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-71.7	-38.6	-179.9	-68.8	166.6	0	0	0	110.9	V171 I359 L361 I368 L438 P440 E444 H445 Q446	V171-I442 HydrophobicContact CG1-CD1 3.92Å; V171-I442 HydrophobicContact CG1-CG1 4.17Å; I359-I442 HydrophobicContact CG2-CD1 3.37Å; L361-I442 WeakPolarHBondContact O-CG2 3.34Å; I368-I442 HydrophobicContact CD1-CB 4.07Å; I368-I442 HydrophobicContact CD1-CD1 3.52Å; I368-I442 HydrophobicContact CD1-CG1 4.38Å; I368-I442 HydrophobicContact CD1-CG2 4.13Å; I368-I442 HydrophobicContact CG1-CD1 3.99Å; L438-I442 HydrophobicContact CB-CD1 4.43Å; L438-I442 WeakPolarHBondContact O-CB 3.49Å; L438-I442 WeakPolarHBondContact O-CG1 3.42Å; L438-I442 PolarHBondContact O-N 3.27Å; P440-I442 VanDerWaalsContact C-N 3.34Å; P440-I442 PolarHBondContact O-N 3.2Å; I442-E444 VanDerWaalsContact C-N 3.32Å; I442-E444 PolarHBondContact O-N 3.16Å; I442-H445 PolarHBondContact O-N 3.2Å; I442-Q446 HydrophobicContact CG2-CG 4.26Å; I442-Q446 WeakPolarHBondContact O-CB 3.46Å; I442-Q446 WeakPolarHBondContact O-CG 3.31Å; I442-Q446 PolarHBondContact O-N 3.24Å
443	A	98.7	Very high	98.5	Very high	51 Å²	51	54 Å²	54	42%	0.421	28%	0.278	S	S	.	.	H	α-helix	trans	-62.5	-40.3	176.5	0	0	0	0	0	112.1	Q439 P440 Q446 A447	Q439-A443 VanDerWaalsContact O-CB 3.23Å; Q439-A443 WeakPolarHBondContact O-CB 3.11Å; Q439-A443 PolarHBondContact O-N 3.21Å; P440-A443 PolarHBondContact O-N 3.43Å; A443-Q446 PolarHBondContact O-N 3.18Å; A443-A447 WeakPolarHBondContact O-CB 3.34Å; A443-A447 PolarHBondContact O-N 2.89Å
444	E	98.3	Very high	98.4	Very high	110 Å²	110	57.9 Å²	57.9	51%	0.514	30%	0.297	S	S	.	.	H	α-helix	trans	-67.7	-42.2	176.3	-163.9	-171.4	159.2	0	0	111.5	P440 I442 Q446 A447 R448	P440-E444 WeakPolarHBondContact O-CB 3.3Å; P440-E444 PolarHBondContact O-N 3.35Å; I442-E444 VanDerWaalsContact C-N 3.32Å; I442-E444 PolarHBondContact O-N 3.16Å; E444-Q446 PolarHBondContact O-N 3.48Å; E444-A447 WeakPolarHBondContact O-CB 3.48Å; E444-A447 PolarHBondContact O-N 3.14Å; E444-R448 PolarHBondContact O-N 3.02Å; E444-R448 IonicContact OE1-CZ 3.43Å; E444-R448 IonicContact OE1-NH1 3.48Å; E444-R448 PolarHBondContact OE1-NH1 3.12Å
445	H	98.4	Very high	98.4	Very high	3 Å²	3	64.5 Å²	64.5	1%	0.014	33%	0.327	C	S	.	.	H	α-helix	trans	-59.3	-46.1	171.9	-174.9	91.8	0	0	0	111.8	D221 L441 I442 A447 R448 R449	D221-H445 PolarHBondContact O-CE1 3.25Å; D221-H445 IonicContact OD1-CD2 3.8Å; D221-H445 IonicContact OD1-CE1 3.62Å; D221-H445 IonicContact OD1-NE2 3.27Å; D221-H445 PolarHBondContact OD1-NE2 3.05Å; L441-H445 WeakPolarHBondContact O-CB 3.48Å; L441-H445 PolarHBondContact O-N 2.98Å; I442-H445 PolarHBondContact O-N 3.2Å; H445-A447 VanDerWaalsContact C-N 3.29Å; H445-A447 PolarHBondContact O-N 3.44Å; H445-R448 PolarHBondContact O-N 3.23Å; H445-R449 VanDerWaalsContact O-CB 3.32Å; H445-R449 WeakPolarHBondContact O-CB 3.45Å; H445-R449 PolarHBondContact O-N 3.2Å
446	Q	98.5	Very high	98.4	Very high	54 Å²	54	66.6 Å²	66.6	25%	0.252	34%	0.338	S	S	.	.	H	α-helix	trans	-62	-35.9	176.1	-73.7	170.8	0.1	0	0	112.1	L361 D363 I442 A443 E444 K450	L361-Q446 VanDerWaalsContact O-CG 3.27Å; L361-Q446 WeakPolarHBondContact O-CG 3.44Å; L361-Q446 PolarHBondContact O-NE2 3.38Å; D363-Q446 PolarHBondContact O-NE2 3.3Å; D363-Q446 VanDerWaalsContact O-NE2 3.09Å; I442-Q446 HydrophobicContact CG2-CG 4.26Å; I442-Q446 WeakPolarHBondContact O-CB 3.46Å; I442-Q446 WeakPolarHBondContact O-CG 3.31Å; I442-Q446 PolarHBondContact O-N 3.24Å; A443-Q446 PolarHBondContact O-N 3.18Å; E444-Q446 PolarHBondContact O-N 3.48Å; Q446-K450 VanDerWaalsContact O-CG 3.26Å; Q446-K450 WeakPolarHBondContact O-CG 3.24Å; Q446-K450 PolarHBondContact O-N 2.95Å; Q446-K450 VanDerWaalsContact O-N 3.16Å
447	A	98.7	Very high	98.4	Very high	47 Å²	47	61.8 Å²	61.8	39%	0.388	32%	0.316	S	S	.	.	H	α-helix	trans	-65.5	-50.9	174.9	0	0	0	0	0	111	A443 E444 H445 R449 K450 E451	A443-A447 WeakPolarHBondContact O-CB 3.34Å; A443-A447 PolarHBondContact O-N 2.89Å; E444-A447 WeakPolarHBondContact O-CB 3.48Å; E444-A447 PolarHBondContact O-N 3.14Å; H445-A447 VanDerWaalsContact C-N 3.29Å; H445-A447 PolarHBondContact O-N 3.44Å; A447-R449 PolarHBondContact O-N 2.93Å; A447-K450 WeakPolarHBondContact O-CB 3.29Å; A447-K450 PolarHBondContact O-N 2.95Å; A447-E451 PolarHBondContact O-N 3.23Å
448	R	98.5	Very high	98.4	Very high	82 Å²	82	67.8 Å²	67.8	31%	0.309	34%	0.34	S	S	.	.	H	α-helix	trans	-59.3	-44.1	175.5	-71.9	-170.3	-67.4	-101.7	-3.4	112.2	A224 E444 H445 K450 E451 V452	A224-R448 HydrophobicContact CB-CB 4.03Å; A224-R448 WeakPolarHBondContact O-CD 3.37Å; A224-R448 PolarHBondContact O-NE 3.48Å; E444-R448 PolarHBondContact O-N 3.02Å; E444-R448 IonicContact OE1-CZ 3.43Å; E444-R448 IonicContact OE1-NH1 3.48Å; E444-R448 PolarHBondContact OE1-NH1 3.12Å; H445-R448 PolarHBondContact O-N 3.23Å; R448-K450 VanDerWaalsContact C-N 3.26Å; R448-K450 PolarHBondContact O-N 2.95Å; R448-E451 WeakPolarHBondContact O-CB 3.19Å; R448-E451 PolarHBondContact O-N 3.4Å; R448-V452 WeakPolarHBondContact O-CG2 3.12Å; R448-V452 PolarHBondContact O-N 3.12Å
449	R	98	Very high	98.4	Very high	60 Å²	60	72.3 Å²	72.3	23%	0.226	36%	0.361	C	S	.	.	H	α-helix	trans	-59.4	-35.5	178.1	-167.2	-167.5	-170.2	-83.4	-0.6	112.4	E217 K220 D221 A224 H445 A447 E451 V452	E217-R449 PolarHBondContact O-NH2 2.99Å; E217-R449 IonicContact OE2-CZ 2.73Å; E217-R449 IonicContact OE2-NH1 3.05Å; E217-R449 IonicContact OE2-NH2 3.34Å; E217-R449 PolarHBondContact OE2-NH2 2.79Å; K220-R449 HydrophobicContact CB-CG 4.28Å; D221-R449 WeakPolarHBondContact OD1-CD 3.42Å; D221-R449 IonicContact OD1-NE 3.95Å; D221-R449 PolarHBondContact OD1-NE 3.48Å; D221-R449 IonicContact OD2-NE 2.85Å; A224-R449 HydrophobicContact CB-CB 3.87Å; A224-R449 HydrophobicContact CB-CG 4.48Å; H445-R449 VanDerWaalsContact O-CB 3.32Å; H445-R449 WeakPolarHBondContact O-CB 3.45Å; H445-R449 PolarHBondContact O-N 3.2Å; A447-R449 PolarHBondContact O-N 2.93Å; R449-E451 PolarHBondContact O-N 3.2Å; R449-V452 WeakPolarHBondContact O-CB 3.49Å; R449-V452 PolarHBondContact O-N 2.8Å
450	K	98.1	Very high	98.4	Very high	177 Å²	177	69.9 Å²	69.9	77%	0.77	35%	0.35	S	S	*	.	H	α-helix	trans	-66.7	-24.8	176	-74.8	167.7	-175.8	175.9	0	113.1	Q446 A447 R448 V452	Q446-K450 VanDerWaalsContact O-CG 3.26Å; Q446-K450 WeakPolarHBondContact O-CG 3.24Å; Q446-K450 PolarHBondContact O-N 2.95Å; Q446-K450 VanDerWaalsContact O-N 3.16Å; A447-K450 WeakPolarHBondContact O-CB 3.29Å; A447-K450 PolarHBondContact O-N 2.95Å; R448-K450 VanDerWaalsContact C-N 3.26Å; R448-K450 PolarHBondContact O-N 2.95Å; K450-V452 VanDerWaalsContact C-N 3.31Å
451	E	98.2	Very high	98.4	Very high	141 Å²	141	67.7 Å²	67.7	66%	0.659	33%	0.333	S	S	*	.	H	α-helix	trans	-81.4	-14.3	176	-61.4	172.8	176.5	0	0	112	A447 R448 R449 T453 I456	A447-E451 PolarHBondContact O-N 3.23Å; R448-E451 WeakPolarHBondContact O-CB 3.19Å; R448-E451 PolarHBondContact O-N 3.4Å; R449-E451 PolarHBondContact O-N 3.2Å; E451-T453 PolarHBondContact O-N 3.22Å; E451-T453 VanDerWaalsContact O-N 3.15Å; E451-I456 WeakPolarHBondContact O-CD1 3.21Å
452	V	98.4	Very high	98.4	Very high	16 Å²	16	68.8 Å²	68.8	10%	0.097	34%	0.342	C	S	.	.			trans	-79.7	96.3	177.4	-172.3	0	0	0	0	110.2	K220 I223 R448 R449 K450 I456 V457	K220-V452 HydrophobicContact CB-CG1 4.32Å; K220-V452 HydrophobicContact CG-CG1 4.05Å; I223-V452 HydrophobicContact CB-CG1 4.14Å; I223-V452 HydrophobicContact CB-CG2 4.15Å; I223-V452 HydrophobicContact CD1-CG1 3.99Å; I223-V452 HydrophobicContact CG2-CB 4.48Å; I223-V452 HydrophobicContact CG2-CG1 3.92Å; I223-V452 HydrophobicContact CG2-CG2 3.66Å; R448-V452 WeakPolarHBondContact O-CG2 3.12Å; R448-V452 PolarHBondContact O-N 3.12Å; R449-V452 WeakPolarHBondContact O-CB 3.49Å; R449-V452 PolarHBondContact O-N 2.8Å; K450-V452 VanDerWaalsContact C-N 3.31Å; V452-I456 HydrophobicContact CG1-CB 4.4Å; V452-I456 HydrophobicContact CG1-CG2 4.07Å; V452-V457 HydrophobicContact CG1-CG2 3.64Å
453	T	98.2	Very high	98.4	Very high	62 Å²	62	70.5 Å²	70.5	38%	0.38	35%	0.353	S	S	.	.			trans	-76.2	162.8	174	58.3	0	0	0	0	111.9	E451 E455 I456 V457	E451-T453 PolarHBondContact O-N 3.22Å; E451-T453 VanDerWaalsContact O-N 3.15Å; T453-E455 WeakPolarHBondContact CB-OE2 3.43Å; T453-E455 PolarHBondContact O-N 2.87Å; T453-I456 PolarHBondContact O-N 3.05Å; T453-I456 VanDerWaalsContact O-N 3.11Å; T453-I456 WeakPolarHBondContact OG1-CD1 3.28Å; T453-I456 VanDerWaalsContact OG1-CG1 3.28Å; T453-I456 WeakPolarHBondContact OG1-CG1 3.3Å; T453-I456 PolarHBondContact OG1-N 3.15Å; T453-V457 WeakPolarHBondContact O-CG2 3.47Å; T453-V457 PolarHBondContact O-N 3.1Å
454	D	98.1	Very high	98.3	Very high	101 Å²	101	70.1 Å²	70.1	54%	0.54	34%	0.341	S	S	.	.	H	α-helix	trans	-63.2	-30	175.9	-66.2	-24.2	0	0	0	111.5	K220 V457 K458	K220-D454 VanDerWaalsContact CE-OD1 3.27Å; K220-D454 WeakPolarHBondContact CE-OD1 3.45Å; K220-D454 IonicContact NZ-OD1 2.71Å; K220-D454 PolarHBondContact NZ-OD1 3.3Å; D454-V457 PolarHBondContact O-N 3.31Å; D454-K458 VanDerWaalsContact O-CB 3.28Å; D454-K458 WeakPolarHBondContact O-CB 3.49Å; D454-K458 PolarHBondContact O-N 2.97Å
455	E	98.5	Very high	98.2	Very high	139 Å²	139	71.1 Å²	71.1	65%	0.65	34%	0.343	S	S	*	.	H	α-helix	trans	-63.9	-43	171.9	-67.6	71.6	-156.2	0	0	112.2	T453 K458 E459	T453-E455 WeakPolarHBondContact CB-OE2 3.43Å; T453-E455 PolarHBondContact O-N 2.87Å; E455-K458 PolarHBondContact O-N 3.1Å; E455-E459 WeakPolarHBondContact O-CB 3.26Å; E455-E459 PolarHBondContact O-N 3.26Å
456	I	98.7	Very high	98.1	Very high	55 Å²	55	71.1 Å²	71.1	28%	0.282	34%	0.344	S	S	.	.	H	α-helix	trans	-63.9	-46.6	175.9	-70.3	166.9	0	0	0	109.8	I223 E451 V452 T453 K458 E459 F460	I223-I456 HydrophobicContact CG2-CG2 4.1Å; E451-I456 WeakPolarHBondContact O-CD1 3.21Å; V452-I456 HydrophobicContact CG1-CB 4.4Å; V452-I456 HydrophobicContact CG1-CG2 4.07Å; T453-I456 PolarHBondContact O-N 3.05Å; T453-I456 VanDerWaalsContact O-N 3.11Å; T453-I456 WeakPolarHBondContact OG1-CD1 3.28Å; T453-I456 VanDerWaalsContact OG1-CG1 3.28Å; T453-I456 WeakPolarHBondContact OG1-CG1 3.3Å; T453-I456 PolarHBondContact OG1-N 3.15Å; I456-K458 VanDerWaalsContact C-N 3.31Å; I456-K458 PolarHBondContact O-N 3.11Å; I456-E459 PolarHBondContact O-N 2.77Å; I456-E459 VanDerWaalsContact O-N 3.17Å; I456-F460 HydrophobicContact CG2-CD2 3.8Å; I456-F460 HydrophobicContact CG2-CE2 3.82Å; I456-F460 WeakPolarHBondContact O-CD2 3.44Å; I456-F460 PolarHBondContact O-N 2.96Å
457	V	98.8	Very high	97.7	Very high	5 Å²	5	72.4 Å²	72.4	3%	0.03	36%	0.358	C	S	.	.	H	α-helix	trans	-57.3	-48.2	176.9	-178.9	0	0	0	0	110.5	V216 A219 K220 I223 V452 T453 D454 E459 F460 M461	V216-V457 HydrophobicContact CG1-CG1 4.17Å; A219-V457 HydrophobicContact CB-CG1 4.21Å; K220-V457 HydrophobicContact CD-CG2 4.32Å; K220-V457 HydrophobicContact CG-CG2 3.46Å; K220-V457 VanDerWaalsContact CG-CG2 3.46Å; I223-V457 HydrophobicContact CD1-CB 4.38Å; I223-V457 HydrophobicContact CD1-CG2 4.07Å; V452-V457 HydrophobicContact CG1-CG2 3.64Å; T453-V457 WeakPolarHBondContact O-CG2 3.47Å; T453-V457 PolarHBondContact O-N 3.1Å; D454-V457 PolarHBondContact O-N 3.31Å; V457-E459 VanDerWaalsContact C-N 3.3Å; V457-E459 PolarHBondContact O-N 3.24Å; V457-F460 PolarHBondContact O-N 3.19Å; V457-M461 HydrophobicContact CG1-CG 4.3Å; V457-M461 HydrophobicContact CG1-SD 3.67Å; V457-M461 WeakPolarHBondContact O-CB 3.29Å; V457-M461 WeakPolarHBondContact O-CG 3.5Å; V457-M461 PolarHBondContact O-N 3.43Å
458	K	98.5	Very high	97	Very high	151 Å²	151	72.6 Å²	72.6	66%	0.657	35%	0.35	S	S	*	.	H	α-helix	trans	-59	-41.1	177.9	-176.8	178.8	-179.7	178.9	0	111.9	D454 E455 I456 M461 T462	D454-K458 VanDerWaalsContact O-CB 3.28Å; D454-K458 WeakPolarHBondContact O-CB 3.49Å; D454-K458 PolarHBondContact O-N 2.97Å; E455-K458 PolarHBondContact O-N 3.1Å; I456-K458 VanDerWaalsContact C-N 3.31Å; I456-K458 PolarHBondContact O-N 3.11Å; K458-M461 CarbonylContact O-C 3.57Å; K458-M461 PolarHBondContact O-N 3.42Å; K458-T462 WeakPolarHBondContact O-CB 3.25Å; K458-T462 PolarHBondContact O-N 3.41Å; K458-T462 PolarHBondContact O-OG1 3.49Å
459	E	98.5	Very high	95.7	Very high	94 Å²	94	74.5 Å²	74.5	44%	0.439	37%	0.367	S	S	.	.	H	α-helix	trans	-64.3	-48	177.7	-172.8	178	175	0	0	111.3	I229 E455 I456 V457 M461 T462 R464	I229-E459 HydrophobicContact CD1-CB 3.97Å; I229-E459 HydrophobicContact CD1-CG 3.64Å; I229-E459 WeakPolarHBondContact CD1-OE2 3.42Å; I229-E459 HydrophobicContact CG1-CG 4.3Å; E455-E459 WeakPolarHBondContact O-CB 3.26Å; E455-E459 PolarHBondContact O-N 3.26Å; I456-E459 PolarHBondContact O-N 2.77Å; I456-E459 VanDerWaalsContact O-N 3.17Å; V457-E459 VanDerWaalsContact C-N 3.3Å; V457-E459 PolarHBondContact O-N 3.24Å; E459-M461 PolarHBondContact O-N 3.05Å; E459-T462 PolarHBondContact O-N 3.22Å; E459-R464 PolarHBondContact O-NH1 3.14Å
460	F	98.7	Very high	94.3	Very high	6 Å²	6	73.3 Å²	73.3	3%	0.026	36%	0.363	C	S	.	.	H	α-helix	trans	-55.7	-38.2	173.1	-90.3	-89.4	0	0	0	112.1	I223 F227 I229 T232 I234 I456 V457 R464	I223-F460 HydrophobicContact CB-CE2 4.39Å; I223-F460 HydrophobicContact CD1-CB 3.92Å; I223-F460 HydrophobicContact CD1-CD2 3.61Å; I223-F460 HydrophobicContact CD1-CE2 4.23Å; I223-F460 HydrophobicContact CD1-CG 3.78Å; I223-F460 HydrophobicContact CG1-CB 4.35Å; I223-F460 HydrophobicContact CG1-CD1 4.08Å; I223-F460 HydrophobicContact CG1-CD2 3.73Å; I223-F460 HydrophobicContact CG1-CE1 4.26Å; I223-F460 HydrophobicContact CG1-CE2 3.94Å; I223-F460 HydrophobicContact CG1-CG 3.8Å; I223-F460 HydrophobicContact CG1-CZ 4.2Å; I223-F460 HydrophobicContact CG2-CD2 4.09Å; I223-F460 HydrophobicContact CG2-CE2 3.57Å; I223-F460 HydrophobicContact CG2-CZ 3.96Å; F227-F460 HydrophobicContact CB-CE1 4.34Å; I229-F460 HydrophobicContact CB-CD2 4.37Å; I229-F460 HydrophobicContact CB-CE1 4.13Å; I229-F460 HydrophobicContact CB-CE2 3.7Å; I229-F460 HydrophobicContact CB-CZ 3.57Å; I229-F460 HydrophobicContact CD1-CD2 3.69Å; I229-F460 HydrophobicContact CD1-CE2 3.62Å; I229-F460 HydrophobicContact CD1-CG 4.47Å; I229-F460 HydrophobicContact CD1-CZ 4.36Å; I229-F460 HydrophobicContact CG1-CD1 4.37Å; I229-F460 HydrophobicContact CG1-CD2 3.76Å; I229-F460 HydrophobicContact CG1-CE1 4.24Å; I229-F460 HydrophobicContact CG1-CE2 3.59Å; I229-F460 HydrophobicContact CG1-CG 4.16Å; I229-F460 HydrophobicContact CG1-CZ 3.86Å; T232-F460 HydrophobicContact CG2-CD1 4.13Å; T232-F460 HydrophobicContact CG2-CE1 4.08Å; I234-F460 HydrophobicContact CD1-CB 4.21Å; I234-F460 HydrophobicContact CD1-CD1 4.05Å; I234-F460 HydrophobicContact CD1-CG 4.38Å; I234-F460 HydrophobicContact CG1-CB 4.3Å; I234-F460 HydrophobicContact CG1-CD1 4.18Å; I234-F460 PolarHBondContact N-O 3.34Å; I234-F460 VanDerWaalsContact N-O 3.08Å; I456-F460 HydrophobicContact CG2-CD2 3.8Å; I456-F460 HydrophobicContact CG2-CE2 3.82Å; I456-F460 WeakPolarHBondContact O-CD2 3.44Å; I456-F460 PolarHBondContact O-N 2.96Å; V457-F460 PolarHBondContact O-N 3.19Å; F460-R464 PolarHBondContact O-NH1 3.21Å; F460-R464 VanDerWaalsContact O-NH1 3.11Å
461	M	98.6	Very high	92.2	Very high	28 Å²	28	76.4 Å²	76.4	14%	0.138	38%	0.38	C	S	.	.	H	α-helix	trans	-87.2	-5	-176.8	-65.4	-176.3	74.7	0	0	115.7	A219 I234 V457 K458 E459	A219-M461 HydrophobicContact CB-SD 4.24Å; I234-M461 HydrophobicContact CB-CG 4.1Å; I234-M461 HydrophobicContact CG2-CG 4.29Å; I234-M461 VanDerWaalsContact O-CA 3.23Å; I234-M461 WeakPolarHBondContact O-CA 3.42Å; V457-M461 HydrophobicContact CG1-CG 4.3Å; V457-M461 HydrophobicContact CG1-SD 3.67Å; V457-M461 WeakPolarHBondContact O-CB 3.29Å; V457-M461 WeakPolarHBondContact O-CG 3.5Å; V457-M461 PolarHBondContact O-N 3.43Å; K458-M461 CarbonylContact O-C 3.57Å; K458-M461 PolarHBondContact O-N 3.42Å; E459-M461 PolarHBondContact O-N 3.05Å
462	T	98.1	Very high	91.9	Very high	62 Å²	62	73.2 Å²	73.2	38%	0.38	37%	0.366	S	S	.	.	S	Bend	trans	-86.1	125.7	178.2	-64.7	0	0	0	0	110.3	K458 E459 R464	K458-T462 WeakPolarHBondContact O-CB 3.25Å; K458-T462 PolarHBondContact O-N 3.41Å; K458-T462 PolarHBondContact O-OG1 3.49Å; E459-T462 PolarHBondContact O-N 3.22Å; T462-R464 PolarHBondContact O-N 3.03Å; T462-R464 VanDerWaalsContact O-N 3.11Å; T462-R464 PolarHBondContact O-NH1 3.38Å
463	P	97.9	Very high	91.5	Very high	37 Å²	37	76.2 Å²	76.2	24%	0.24	38%	0.381	C	S	.	.			trans	-58.1	116.3	171.8	-23.9	34.1	0	0	0	110.8	F233 Y240 M243 Q295	F233-P463 HydrophobicContact CE2-CB 4.29Å; F233-P463 HydrophobicContact CE2-CG 4.02Å; F233-P463 HydrophobicContact CZ-CB 4.19Å; F233-P463 HydrophobicContact CZ-CG 3.83Å; Y240-P463 HydrophobicContact CD2-CG 4.07Å; Y240-P463 HydrophobicContact CE2-CB 4.32Å; Y240-P463 HydrophobicContact CE2-CG 3.93Å; M243-P463 HydrophobicContact CE-CG 3.68Å; M243-P463 HydrophobicContact SD-CG 4.31Å; Q295-P463 HydrophobicContact CG-CB 3.98Å
464	R	96.6	Very high	91.2	Very high	42 Å²	42	76.9 Å²	76.9	16%	0.158	38%	0.381	C	S	.	.			trans	-146.7	165.2	-178	67.1	-166	-179.8	-68.1	-0.2	111.5	I229 T232 Q295 E459 F460 T462 L466	I229-R464 PolarHBondContact O-NH2 3.02Å; T232-R464 PolarHBondContact O-NH2 2.87Å; Q295-R464 WeakPolarHBondContact CG-O 3.3Å; E459-R464 PolarHBondContact O-NH1 3.14Å; F460-R464 PolarHBondContact O-NH1 3.21Å; F460-R464 VanDerWaalsContact O-NH1 3.11Å; T462-R464 PolarHBondContact O-N 3.03Å; T462-R464 VanDerWaalsContact O-N 3.11Å; T462-R464 PolarHBondContact O-NH1 3.38Å; R464-L466 HydrophobicContact CG-CD2 4.39Å
465	K	96.3	Very high	90.8	Very high	131 Å²	131	75.5 Å²	75.5	57%	0.57	37%	0.371	S	S	*	.			trans	-65.8	133.2	165.7	-173.4	-173.5	175.1	-167.7	0	108.6	Q295 D469	Q295-K465 WeakPolarHBondContact O-CA 3.41Å; K465-D469 IonicContact NZ-OD1 3.45Å; K465-D469 PolarHBondContact NZ-OD1 2.89Å
466	L	96.6	Very high	90.3	Very high	4 Å²	4	71.6 Å²	71.6	2%	0.021	35%	0.354	C	S	.	.			trans	-90.1	159.2	170.4	-61.4	-178.5	0	0	0	110.3	P190 N230 F233 I296 R464 F468	P190-L466 HydrophobicContact CB-CD1 4.02Å; N230-L466 CarbonylContact O-C 3.59Å; N230-L466 WeakPolarHBondContact O-CA 3.47Å; N230-L466 WeakPolarHBondContact O-CB 3.46Å; F233-L466 HydrophobicContact CB-CD1 4.45Å; I296-L466 HydrophobicContact CD1-CD1 3.65Å; I296-L466 HydrophobicContact CD1-CG 4.15Å; I296-L466 HydrophobicContact CG1-CD1 4.12Å; I296-L466 HydrophobicContact CG1-CG 4.13Å; I296-L466 HydrophobicContact CG2-CB 4.46Å; I296-L466 HydrophobicContact CG2-CD1 4.09Å; I296-L466 HydrophobicContact CG2-CG 4.37Å; R464-L466 HydrophobicContact CG-CD2 4.39Å; L466-F468 PolarHBondContact O-N 3.37Å
467	S	90.8	Very high	89.7	Confident	80 Å²	80	72.7 Å²	72.7	56%	0.559	36%	0.359	S	S	*	.	S	Bend	trans	-73.6	61.2	178.6	-69.2	0	0	0	0	111.7	N230	N230-S467 PolarHBondContact O-N 2.8Å
468	F	83	Confident	89.1	Confident	51 Å²	51	77.5 Å²	77.5	22%	0.224	38%	0.382	C	S	.	.			trans	-144.7	121.2	175.5	-159.8	-85.2	0	0	0	108.6	P155 N188 P190 L466 F470	P155-F468 HydrophobicContact CB-CE1 4.3Å; N188-F468 WeakPolarHBondContact O-CE2 3.47Å; P190-F468 HydrophobicContact CG-CB 4.09Å; P190-F468 HydrophobicContact CG-CD1 4.34Å; P190-F468 HydrophobicContact CG-CD2 4.23Å; P190-F468 HydrophobicContact CG-CG 3.96Å; L466-F468 PolarHBondContact O-N 3.37Å; F468-F470 HydrophobicContact CB-CE2 4.18Å; F468-F470 HydrophobicContact CB-CZ 4.13Å; F468-F470 AromaticContact CD1-CD1 3.5Å; F468-F470 HydrophobicContact CD1-CD1 3.5Å; F468-F470 VanDerWaalsContact CD1-CD1 3.5Å; F468-F470 AromaticContact CD1-CD2 3.96Å; F468-F470 HydrophobicContact CD1-CD2 3.96Å; F468-F470 AromaticContact CD1-CE1 3.17Å; F468-F470 HydrophobicContact CD1-CE1 3.17Å; F468-F470 AromaticContact CD1-CE2 3.66Å; F468-F470 HydrophobicContact CD1-CE2 3.66Å; F468-F470 AromaticContact CD1-CG 3.86Å; F468-F470 HydrophobicContact CD1-CG 3.86Å; F468-F470 AromaticContact CD1-CZ 3.24Å; F468-F470 HydrophobicContact CD1-CZ 3.24Å; F468-F470 AromaticContact CE1-CD1 3.44Å; F468-F470 HydrophobicContact CE1-CD1 3.44Å; F468-F470 VanDerWaalsContact CE1-CD1 3.44Å; F468-F470 AromaticContact CE1-CE1 3.28Å; F468-F470 HydrophobicContact CE1-CE1 3.28Å; F468-F470 HydrophobicContact CE1-CG 4.15Å; F468-F470 AromaticContact CE1-CZ 3.88Å; F468-F470 HydrophobicContact CE1-CZ 3.88Å; F468-F470 HydrophobicContact CG-CE1 4.2Å; F468-F470 HydrophobicContact CG-CE2 4.34Å; F468-F470 AromaticContact CG-CZ 3.93Å; F468-F470 HydrophobicContact CG-CZ 3.93Å; F468-F470 HydrophobicContact CZ-CE1 4.38Å
469	D	72.4	Confident	88.4	Confident	122 Å²	122	71.8 Å²	71.8	65%	0.652	36%	0.361	S	S	*	.			trans	-97.5	103.3	175.5	-73.8	-38.1	0	0	0	108.9	K465 Q471	K465-D469 IonicContact NZ-OD1 3.45Å; K465-D469 PolarHBondContact NZ-OD1 2.89Å; D469-Q471 PolarHBondContact O-N 3.42Å
470	F	67.4	Low	87.5	Confident	36 Å²	36	70 Å²	70	16%	0.158	35%	0.354	C	S	.	.			trans	-74.6	105.1	168.9	-51.5	-86.8	0	0	0	107.7	P155 P190 I296 F297 I303 F468	P155-F470 HydrophobicContact CB-CD1 3.75Å; P155-F470 HydrophobicContact CB-CE1 4.07Å; P155-F470 HydrophobicContact CG-CD1 4.23Å; P190-F470 HydrophobicContact CG-CE1 4.17Å; P190-F470 HydrophobicContact CG-CZ 3.57Å; I296-F470 HydrophobicContact CG2-CE2 4.01Å; I296-F470 HydrophobicContact CG2-CZ 4.22Å; I296-F470 VanDerWaalsContact O-CE2 3.3Å; I296-F470 WeakPolarHBondContact O-CE2 3.3Å; F297-F470 HydrophobicContact CD1-CD1 4.25Å; F297-F470 HydrophobicContact CD1-CD2 4.22Å; F297-F470 AromaticContact CD1-CE1 3.61Å; F297-F470 HydrophobicContact CD1-CE1 3.61Å; F297-F470 AromaticContact CD1-CE2 3.59Å; F297-F470 HydrophobicContact CD1-CE2 3.59Å; F297-F470 AromaticContact CD1-CZ 3.25Å; F297-F470 HydrophobicContact CD1-CZ 3.25Å; F297-F470 AromaticContact CE1-CE1 3.5Å; F297-F470 HydrophobicContact CE1-CE1 3.5Å; F297-F470 AromaticContact CE1-CE2 3.88Å; F297-F470 HydrophobicContact CE1-CE2 3.88Å; F297-F470 AromaticContact CE1-CZ 3.12Å; F297-F470 HydrophobicContact CE1-CZ 3.12Å; F297-F470 HydrophobicContact CZ-CZ 4.27Å; I303-F470 HydrophobicContact CD1-CD1 3.88Å; I303-F470 HydrophobicContact CD1-CE1 4.15Å; I303-F470 HydrophobicContact CD1-CG 4.38Å; F468-F470 HydrophobicContact CB-CE2 4.18Å; F468-F470 HydrophobicContact CB-CZ 4.13Å; F468-F470 AromaticContact CD1-CD1 3.5Å; F468-F470 HydrophobicContact CD1-CD1 3.5Å; F468-F470 VanDerWaalsContact CD1-CD1 3.5Å; F468-F470 AromaticContact CD1-CD2 3.96Å; F468-F470 HydrophobicContact CD1-CD2 3.96Å; F468-F470 AromaticContact CD1-CE1 3.17Å; F468-F470 HydrophobicContact CD1-CE1 3.17Å; F468-F470 AromaticContact CD1-CE2 3.66Å; F468-F470 HydrophobicContact CD1-CE2 3.66Å; F468-F470 AromaticContact CD1-CG 3.86Å; F468-F470 HydrophobicContact CD1-CG 3.86Å; F468-F470 AromaticContact CD1-CZ 3.24Å; F468-F470 HydrophobicContact CD1-CZ 3.24Å; F468-F470 AromaticContact CE1-CD1 3.44Å; F468-F470 HydrophobicContact CE1-CD1 3.44Å; F468-F470 VanDerWaalsContact CE1-CD1 3.44Å; F468-F470 AromaticContact CE1-CE1 3.28Å; F468-F470 HydrophobicContact CE1-CE1 3.28Å; F468-F470 HydrophobicContact CE1-CG 4.15Å; F468-F470 AromaticContact CE1-CZ 3.88Å; F468-F470 HydrophobicContact CE1-CZ 3.88Å; F468-F470 HydrophobicContact CG-CE1 4.2Å; F468-F470 HydrophobicContact CG-CE2 4.34Å; F468-F470 AromaticContact CG-CZ 3.93Å; F468-F470 HydrophobicContact CG-CZ 3.93Å; F468-F470 HydrophobicContact CZ-CE1 4.38Å
471	Q	53.8	Low	86.5	Confident	241 Å²	241	75.8 Å²	75.8	100%	1.126	38%	0.384	S	S	*	.			trans	-67.7	0	169.4	-73.5	-171.8	-12.4	0	0	111.6	R300 D469	R300-Q471 PolarHBondContact NH1-O 3.31Å; D469-Q471 PolarHBondContact O-N 3.42Å

Retrieved 471 of 471 residues in 120.5 ms (Link to these results)

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