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DNA polymerase

DNA polymerase that functions in several pathways of DNA repair. Involved in base excision repair (BER) responsible for repair of lesions that give rise to abasic (AP) sites in DNA. Also contributes to DNA double-strand break repair by non-homologous end joining and homologous recombination. Has both template-dependent and template-independent (terminal transferase) DNA polymerase activities. Has also a 5'-deoxyribose-5-phosphate lyase (dRP lyase) activity. Repair polymerase that plays a key role in base-excision repair. During this process, the damaged base is excised by specific DNA glycosylases, the DNA backbone is nicked at the abasic site by an apurinic/apyrimidic (AP) endonuclease, and POLB removes 5'-deoxyribose-phosphate from the preincised AP site acting as a 5'-deoxyribose-phosphate lyase (5'-dRP lyase); through its DNA polymerase activity, it adds one nucleotide to the 3' end of the arising single-nucleotide gap. Conducts 'gap-filling' DNA synthesis in a stepwise distributive fashion rather than in a processive fashion as for other DNA polymerases. It is also able to cleave sugar-phosphate bonds 3' to an intact AP site, acting as an AP lyase.

AlphaFold DB , UniProt , Accession A0A060W6P6, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110525813, Length 336 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	34.3	Very low	48.1	Very low	110 Å²	110	106.4 Å²	106.4	54%	0.542	53%	0.531	S	S	.	.				0	104.3	0	-176.7	-119.3	-42.8	0	0	107.3	T20 N24	M1-T20 HydrophobicContact SD-CG2 4.06Å; M1-N24 HydrophobicContact CE-CB 3.21Å; M1-N24 WeakPolarHBondContact CE-ND2 3.4Å; M1-N24 WeakPolarHBondContact CG-OD1 3.38Å; M1-N24 HydrophobicContact SD-CB 4.25Å; M1-N24 PolarHBondContact SD-ND2 3.11Å
2	S	27.5	Very low	51.9	Low	55 Å²	55	97.9 Å²	97.9	39%	0.385	49%	0.489	S	S	.	.			trans	-155.3	67	165.3	-167.3	0	0	0	0	108.6	R4	S2-R4 VanDerWaalsContact C-N 3.26Å
3	K	34.3	Very low	54.9	Low	131 Å²	131	99.1 Å²	99.1	57%	0.57	49%	0.492	S	S	*	.			trans	-94.1	62.9	159.3	-71.2	-175.9	175.2	180	0	106.9	K5 D277	K3-K5 PolarHBondContact O-N 2.95Å; K3-D277 IonicContact NZ-OD1 3.22Å; K3-D277 PolarHBondContact NZ-OD1 3.48Å; K3-D277 IonicContact NZ-OD2 3.31Å; K3-D277 PolarHBondContact NZ-OD2 2.84Å
4	R	40.6	Very low	57.6	Low	198 Å²	198	94.3 Å²	94.3	75%	0.747	48%	0.48	S	S	*	.	P	Polyproline II helix	trans	-75.8	117.8	163.8	-77	-172.1	178.7	171.1	0.4	106.9	S2 R149	S2-R4 VanDerWaalsContact C-N 3.26Å; R4-R149 PolarHBondContact O-NH1 2.77Å
5	K	40.1	Very low	60.1	Low	103 Å²	103	88.4 Å²	88.4	45%	0.448	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-61.1	146.3	-178.9	-141.7	172.9	-176.4	176.2	0	108.4	K3 S335	K3-K5 PolarHBondContact O-N 2.95Å; K5-S335 VanDerWaalsContact CE-O 3.28Å; K5-S335 WeakPolarHBondContact CE-O 3.47Å; K5-S335 PolarHBondContact NZ-O 3.28Å
6	A	36.6	Very low	62.3	Low	26 Å²	26	83.9 Å²	83.9	22%	0.215	43%	0.428	C	S	.	.	P	Polyproline II helix	trans	-57.3	149.2	161.5	0	0	0	0	0	109.1	Q8 E186	A6-Q8 PolarHBondContact O-N 2.81Å; A6-E186 HydrophobicContact CB-CB 4.45Å
7	P	39.6	Very low	64.1	Low	120 Å²	120	83.7 Å²	83.7	78%	0.779	43%	0.428	S	S	*	.			trans	-73.4	92.1	-165	30.2	-33.4	0	0	0	110.6
8	Q	48.9	Very low	65.8	Low	167 Å²	167	79.4 Å²	79.4	78%	0.78	41%	0.406	S	S	*	.			trans	-88.2	102.9	138	-122.4	173.7	-2.3	0	0	103.7	A6 S10	A6-Q8 PolarHBondContact O-N 2.81Å; Q8-S10 VanDerWaalsContact C-N 3.25Å; Q8-S10 PolarHBondContact O-N 2.86Å
9	E	60.4	Low	67.4	Low	179 Å²	179	75.3 Å²	75.3	84%	0.836	39%	0.385	S	S	*	.			trans	-57.2	95.4	174.8	-77	-175.9	169.1	0	0	107.9
10	S	77.9	Confident	68.7	Low	18 Å²	18	73.2 Å²	73.2	13%	0.126	38%	0.376	C	S	.	.			trans	-67.1	131	172.9	164.6	0	0	0	0	106.6	Q8 N12 E13	Q8-S10 VanDerWaalsContact C-N 3.25Å; Q8-S10 PolarHBondContact O-N 2.86Å; S10-N12 PolarHBondContact O-N 3.34Å; S10-N12 PolarHBondContact OG-N 3.24Å; S10-N12 VanDerWaalsContact OG-N 3.15Å; S10-E13 PolarHBondContact O-N 3.48Å; S10-E13 VanDerWaalsContact O-N 3.13Å
11	P	88.9	Confident	69.8	Low	63 Å²	63	72.4 Å²	72.4	41%	0.409	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-6.5	174.7	26	-32.8	0	0	0	112.7	K52	P11-K52 HydrophobicContact CB-CB 4.29Å
12	N	93.9	Very high	72.7	Confident	5 Å²	5	67.2 Å²	67.2	3%	0.027	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.5	23.8	-176.1	-55.5	-63.1	0	0	0	112.6	S10 G14 I15 T16 I46 Q51 K52 I53	S10-N12 PolarHBondContact O-N 3.34Å; S10-N12 PolarHBondContact OG-N 3.24Å; S10-N12 VanDerWaalsContact OG-N 3.15Å; N12-G14 VanDerWaalsContact C-N 3.34Å; N12-G14 PolarHBondContact O-N 3.46Å; N12-I15 HydrophobicContact CB-CB 4.43Å; N12-I15 HydrophobicContact CB-CD1 4.37Å; N12-I15 WeakPolarHBondContact O-CA 3.4Å; N12-I15 WeakPolarHBondContact O-CB 3.46Å; N12-I15 PolarHBondContact O-N 2.86Å; N12-T16 PolarHBondContact O-N 3.27Å; N12-T16 PolarHBondContact O-OG1 2.74Å; N12-I46 HydrophobicContact CB-CG2 3.52Å; N12-Q51 PolarHBondContact ND2-O 3.2Å; N12-K52 WeakPolarHBondContact OD1-CA 3.31Å; N12-I53 WeakPolarHBondContact OD1-CG1 3.41Å; N12-I53 PolarHBondContact OD1-N 2.9Å
13	E	91	Very high	75.9	Confident	113 Å²	113	64.6 Å²	64.6	53%	0.528	33%	0.327	S	S	.	.	H	α-helix	trans	-49.9	-49.5	-175.3	-173	173.7	-157.8	0	0	113	S10 I15 T16 D17	S10-E13 PolarHBondContact O-N 3.48Å; S10-E13 VanDerWaalsContact O-N 3.13Å; E13-I15 PolarHBondContact O-N 3.49Å; E13-T16 WeakPolarHBondContact CA-OG1 3.41Å; E13-T16 PolarHBondContact O-N 2.95Å; E13-T16 PolarHBondContact O-OG1 3.42Å; E13-D17 WeakPolarHBondContact O-CB 3.22Å; E13-D17 PolarHBondContact O-N 3.39Å
14	G	92.7	Very high	78.6	Confident	32 Å²	32	58.5 Å²	58.5	33%	0.33	30%	0.301	S	S	.	.	H	α-helix	trans	-58.1	-34.3	177.5	0	0	0	0	0	113.9	N12 F18	N12-G14 VanDerWaalsContact C-N 3.34Å; N12-G14 PolarHBondContact O-N 3.46Å; G14-F18 WeakPolarHBondContact O-CD1 3.49Å; G14-F18 PolarHBondContact O-N 3.01Å
15	I	95.3	Very high	81	Confident	6 Å²	6	50.8 Å²	50.8	3%	0.031	27%	0.272	C	S	.	.	H	α-helix	trans	-69.2	-47.2	174.3	-63.3	171.6	0	0	0	110.2	N12 E13 D17 F18 L19 I46 I53 I73 F76 L77	N12-I15 HydrophobicContact CB-CB 4.43Å; N12-I15 HydrophobicContact CB-CD1 4.37Å; N12-I15 WeakPolarHBondContact O-CA 3.4Å; N12-I15 WeakPolarHBondContact O-CB 3.46Å; N12-I15 PolarHBondContact O-N 2.86Å; E13-I15 PolarHBondContact O-N 3.49Å; I15-D17 VanDerWaalsContact C-N 3.27Å; I15-D17 PolarHBondContact O-N 2.81Å; I15-F18 HydrophobicContact CB-CD1 4.47Å; I15-F18 HydrophobicContact CB-CE1 4.02Å; I15-F18 HydrophobicContact CG1-CE1 4.2Å; I15-F18 HydrophobicContact CG2-CE1 3.75Å; I15-F18 HydrophobicContact CG2-CZ 4.18Å; I15-F18 WeakPolarHBondContact O-CD1 3.33Å; I15-L19 HydrophobicContact CG2-CD1 3.79Å; I15-L19 HydrophobicContact CG2-CG 4.39Å; I15-L19 WeakPolarHBondContact O-CB 3.21Å; I15-L19 WeakPolarHBondContact O-CG 3.48Å; I15-L19 PolarHBondContact O-N 3.15Å; I15-L19 VanDerWaalsContact O-N 3.12Å; I15-I46 HydrophobicContact CB-CG2 4.38Å; I15-I46 HydrophobicContact CG2-CD1 3.9Å; I15-I46 HydrophobicContact CG2-CG2 4.03Å; I15-I53 HydrophobicContact CD1-CB 4.01Å; I15-I53 HydrophobicContact CD1-CD1 4.36Å; I15-I53 HydrophobicContact CD1-CG2 4.26Å; I15-I73 HydrophobicContact CD1-CG2 3.96Å; I15-I73 HydrophobicContact CG2-CD1 4.09Å; I15-I73 HydrophobicContact CG2-CG1 3.92Å; I15-F76 HydrophobicContact CG1-CD1 3.97Å; I15-F76 HydrophobicContact CG1-CE1 4.1Å; I15-L77 HydrophobicContact CD1-CD2 4.37Å
16	T	94.6	Very high	83.6	Confident	16 Å²	16	46 Å²	46	10%	0.098	25%	0.251	C	S	.	.	H	α-helix	trans	-65.6	-32.1	-179	54.4	0	0	0	0	112.7	N12 E13 T20 A43 I46	N12-T16 PolarHBondContact O-N 3.27Å; N12-T16 PolarHBondContact O-OG1 2.74Å; E13-T16 WeakPolarHBondContact CA-OG1 3.41Å; E13-T16 PolarHBondContact O-N 2.95Å; E13-T16 PolarHBondContact O-OG1 3.42Å; T16-T20 VanDerWaalsContact O-CB 3.31Å; T16-T20 WeakPolarHBondContact O-CB 3.49Å; T16-T20 PolarHBondContact O-N 2.98Å; T16-T20 PolarHBondContact O-OG1 3.02Å; T16-A43 WeakPolarHBondContact CG2-O 3.21Å; T16-I46 HydrophobicContact CG2-CB 4.16Å; T16-I46 HydrophobicContact CG2-CG2 3.78Å
17	D	92.6	Very high	86.3	Confident	81 Å²	81	49.7 Å²	49.7	43%	0.433	26%	0.259	S	S	.	.	H	α-helix	trans	-67.6	-51.2	177.7	-78.6	-11.7	0	0	0	111.6	E13 I15 L19 T20 E21	E13-D17 WeakPolarHBondContact O-CB 3.22Å; E13-D17 PolarHBondContact O-N 3.39Å; I15-D17 VanDerWaalsContact C-N 3.27Å; I15-D17 PolarHBondContact O-N 2.81Å; D17-L19 VanDerWaalsContact C-N 3.29Å; D17-L19 PolarHBondContact O-N 3.46Å; D17-T20 CarbonylContact O-C 3.59Å; D17-T20 WeakPolarHBondContact O-CB 3.41Å; D17-T20 PolarHBondContact O-N 3.18Å; D17-T20 VanDerWaalsContact O-N 3.11Å; D17-E21 PolarHBondContact O-N 3.38Å
18	F	94.4	Very high	88.6	Confident	7 Å²	7	44.3 Å²	44.3	3%	0.031	22%	0.224	C	C	.	.	H	α-helix	trans	-65.5	-35.9	179.9	90.7	-115.3	0	0	0	111.2	G14 I15 T20 E21 L22 K72 I73 F76 L82 L85	G14-F18 WeakPolarHBondContact O-CD1 3.49Å; G14-F18 PolarHBondContact O-N 3.01Å; I15-F18 HydrophobicContact CB-CD1 4.47Å; I15-F18 HydrophobicContact CB-CE1 4.02Å; I15-F18 HydrophobicContact CG1-CE1 4.2Å; I15-F18 HydrophobicContact CG2-CE1 3.75Å; I15-F18 HydrophobicContact CG2-CZ 4.18Å; I15-F18 WeakPolarHBondContact O-CD1 3.33Å; F18-T20 VanDerWaalsContact C-N 3.32Å; F18-E21 PolarHBondContact O-N 3.45Å; F18-L22 HydrophobicContact CD2-CD1 3.84Å; F18-L22 HydrophobicContact CE2-CD1 4.04Å; F18-L22 WeakPolarHBondContact O-CB 3.44Å; F18-L22 WeakPolarHBondContact O-CG 3.41Å; F18-L22 PolarHBondContact O-N 2.98Å; F18-K72 HydrophobicContact CE2-CB 4.05Å; F18-K72 HydrophobicContact CZ-CB 4.27Å; F18-I73 HydrophobicContact CE1-CG1 4.38Å; F18-I73 HydrophobicContact CZ-CG1 3.86Å; F18-F76 HydrophobicContact CD1-CB 4.14Å; F18-F76 AromaticContact CD1-CD1 3.99Å; F18-F76 HydrophobicContact CD1-CD1 3.99Å; F18-F76 AromaticContact CD1-CD2 3.84Å; F18-F76 HydrophobicContact CD1-CD2 3.84Å; F18-F76 HydrophobicContact CD1-CE1 4.37Å; F18-F76 HydrophobicContact CD1-CE2 4.24Å; F18-F76 AromaticContact CD1-CG 3.7Å; F18-F76 HydrophobicContact CD1-CG 3.7Å; F18-F76 HydrophobicContact CD1-CZ 4.48Å; F18-F76 HydrophobicContact CE1-CB 3.81Å; F18-F76 AromaticContact CE1-CD1 3.94Å; F18-F76 HydrophobicContact CE1-CD1 3.94Å; F18-F76 HydrophobicContact CE1-CD2 4.36Å; F18-F76 AromaticContact CE1-CG 3.77Å; F18-F76 HydrophobicContact CE1-CG 3.77Å; F18-F76 HydrophobicContact CZ-CB 4.49Å; F18-L82 HydrophobicContact CD2-CD2 4.32Å; F18-L85 HydrophobicContact CB-CD1 3.62Å
19	L	96.4	Very high	90.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-65.5	-38.8	174.8	-69.4	172.2	0	0	0	111.2	I15 D17 A23 Y39 A42 A43 I46 I69	I15-L19 HydrophobicContact CG2-CD1 3.79Å; I15-L19 HydrophobicContact CG2-CG 4.39Å; I15-L19 WeakPolarHBondContact O-CB 3.21Å; I15-L19 WeakPolarHBondContact O-CG 3.48Å; I15-L19 PolarHBondContact O-N 3.15Å; I15-L19 VanDerWaalsContact O-N 3.12Å; D17-L19 VanDerWaalsContact C-N 3.29Å; D17-L19 PolarHBondContact O-N 3.46Å; L19-A23 WeakPolarHBondContact O-CB 3.42Å; L19-A23 PolarHBondContact O-N 3.11Å; L19-Y39 HydrophobicContact CD2-CD1 3.72Å; L19-Y39 HydrophobicContact CD2-CE1 4.16Å; L19-A42 HydrophobicContact CD1-CB 4.19Å; L19-A43 HydrophobicContact CB-CB 3.97Å; L19-A43 HydrophobicContact CD1-CB 4.41Å; L19-I46 HydrophobicContact CD1-CD1 3.63Å; L19-I69 HydrophobicContact CD2-CG2 3.69Å
20	T	93.7	Very high	91.8	Very high	34 Å²	34	32.7 Å²	32.7	21%	0.209	17%	0.174	C	C	.	.	H	α-helix	trans	-63.8	-48	173.9	-63	0	0	0	0	110	M1 T16 D17 F18 L22 A23 N24	M1-T20 HydrophobicContact SD-CG2 4.06Å; T16-T20 VanDerWaalsContact O-CB 3.31Å; T16-T20 WeakPolarHBondContact O-CB 3.49Å; T16-T20 PolarHBondContact O-N 2.98Å; T16-T20 PolarHBondContact O-OG1 3.02Å; D17-T20 CarbonylContact O-C 3.59Å; D17-T20 WeakPolarHBondContact O-CB 3.41Å; D17-T20 PolarHBondContact O-N 3.18Å; D17-T20 VanDerWaalsContact O-N 3.11Å; F18-T20 VanDerWaalsContact C-N 3.32Å; T20-L22 PolarHBondContact O-N 2.98Å; T20-A23 WeakPolarHBondContact O-CB 3.31Å; T20-A23 PolarHBondContact O-N 2.98Å; T20-A23 VanDerWaalsContact O-N 3.12Å; T20-N24 PolarHBondContact O-N 3.31Å; T20-N24 VanDerWaalsContact O-N 3.09Å; T20-N24 PolarHBondContact O-ND2 2.93Å
21	E	93.1	Very high	92.4	Very high	57 Å²	57	39.2 Å²	39.2	27%	0.266	20%	0.196	S	C	.	.	H	α-helix	trans	-57.6	-47	177.2	-166.7	177.4	160.2	0	0	112	D17 F18 A23 N24 Y25 L85 R89	D17-E21 PolarHBondContact O-N 3.38Å; F18-E21 PolarHBondContact O-N 3.45Å; E21-A23 VanDerWaalsContact C-N 3.35Å; E21-A23 PolarHBondContact O-N 2.82Å; E21-N24 PolarHBondContact O-N 2.94Å; E21-Y25 PolarHBondContact O-N 2.79Å; E21-L85 HydrophobicContact CB-CD1 4.36Å; E21-L85 HydrophobicContact CB-CD2 4.12Å; E21-L85 HydrophobicContact CG-CD2 3.78Å; E21-R89 IonicContact OE1-CZ 3.47Å; E21-R89 IonicContact OE1-NE 3.76Å; E21-R89 PolarHBondContact OE1-NE 3.22Å; E21-R89 IonicContact OE1-NH2 2.7Å; E21-R89 IonicContact OE2-CZ 3.24Å; E21-R89 IonicContact OE2-NE 2.66Å; E21-R89 IonicContact OE2-NH2 2.91Å; E21-R89 PolarHBondContact OE2-NH2 2.96Å
22	L	94.6	Very high	92.6	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-59.2	-43.1	174	-76.4	175.7	0	0	0	112.4	F18 T20 N24 Y25 E26 Y39 K72 L82 K84 L85 I88	F18-L22 HydrophobicContact CD2-CD1 3.84Å; F18-L22 HydrophobicContact CE2-CD1 4.04Å; F18-L22 WeakPolarHBondContact O-CB 3.44Å; F18-L22 WeakPolarHBondContact O-CG 3.41Å; F18-L22 PolarHBondContact O-N 2.98Å; T20-L22 PolarHBondContact O-N 2.98Å; L22-N24 VanDerWaalsContact C-N 3.26Å; L22-N24 PolarHBondContact O-N 3.3Å; L22-Y25 PolarHBondContact O-N 3.33Å; L22-E26 VanDerWaalsContact O-CG 3.3Å; L22-E26 WeakPolarHBondContact O-CG 3.38Å; L22-E26 PolarHBondContact O-N 2.84Å; L22-Y39 HydrophobicContact CB-CD1 4.2Å; L22-Y39 HydrophobicContact CB-CD2 4.13Å; L22-Y39 HydrophobicContact CB-CE1 4.16Å; L22-Y39 HydrophobicContact CB-CE2 4.09Å; L22-Y39 HydrophobicContact CB-CG 4.2Å; L22-Y39 HydrophobicContact CD1-CD1 4.33Å; L22-Y39 HydrophobicContact CD1-CE1 3.72Å; L22-K72 HydrophobicContact CD1-CD 3.84Å; L22-L82 HydrophobicContact CD1-CD2 3.83Å; L22-L82 HydrophobicContact CD2-CD2 4.36Å; L22-L82 HydrophobicContact CG-CD2 4.42Å; L22-K84 HydrophobicContact CD2-CD 4.13Å; L22-K84 HydrophobicContact CD2-CG 4.38Å; L22-L85 HydrophobicContact CD2-CD2 3.63Å; L22-L85 HydrophobicContact CD2-CG 3.99Å; L22-L85 HydrophobicContact CG-CD1 4.39Å; L22-L85 HydrophobicContact CG-CD2 3.89Å; L22-L85 HydrophobicContact CG-CG 4.15Å; L22-I88 HydrophobicContact CD2-CD1 4.28Å
23	A	94.6	Very high	92.4	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-55.2	-48.4	177.7	0	0	0	0	0	110.1	L19 T20 E21 E26 R27 Y36 R40	L19-A23 WeakPolarHBondContact O-CB 3.42Å; L19-A23 PolarHBondContact O-N 3.11Å; T20-A23 WeakPolarHBondContact O-CB 3.31Å; T20-A23 PolarHBondContact O-N 2.98Å; T20-A23 VanDerWaalsContact O-N 3.12Å; E21-A23 VanDerWaalsContact C-N 3.35Å; E21-A23 PolarHBondContact O-N 2.82Å; A23-E26 PolarHBondContact O-N 3.37Å; A23-R27 PolarHBondContact O-N 2.79Å; A23-Y36 HydrophobicContact CB-CD2 3.77Å; A23-Y36 HydrophobicContact CB-CE2 4.21Å; A23-Y36 VanDerWaalsContact O-CD2 3.31Å; A23-Y36 WeakPolarHBondContact O-CD2 3.17Å; A23-R40 HydrophobicContact CB-CG 3.98Å
24	N	90.6	Very high	92.5	Very high	4 Å²	4	43.4 Å²	43.4	2%	0.021	22%	0.216	C	C	.	.	H	α-helix	trans	-71.9	-36	-175.1	-66.4	-67.9	0	0	0	113.1	M1 T20 E21 L22 E26 R27 N28	M1-N24 HydrophobicContact CE-CB 3.21Å; M1-N24 WeakPolarHBondContact CE-ND2 3.4Å; M1-N24 WeakPolarHBondContact CG-OD1 3.38Å; M1-N24 HydrophobicContact SD-CB 4.25Å; M1-N24 PolarHBondContact SD-ND2 3.11Å; T20-N24 PolarHBondContact O-N 3.31Å; T20-N24 VanDerWaalsContact O-N 3.09Å; T20-N24 PolarHBondContact O-ND2 2.93Å; E21-N24 PolarHBondContact O-N 2.94Å; L22-N24 VanDerWaalsContact C-N 3.26Å; L22-N24 PolarHBondContact O-N 3.3Å; N24-E26 VanDerWaalsContact C-N 3.32Å; N24-E26 PolarHBondContact O-N 2.86Å; N24-R27 PolarHBondContact O-N 2.84Å; N24-N28 WeakPolarHBondContact O-CB 3.18Å; N24-N28 PolarHBondContact O-N 3.26Å; N24-N28 PolarHBondContact O-ND2 3.42Å
25	Y	92	Very high	92.5	Very high	36 Å²	36	47.4 Å²	47.4	14%	0.141	22%	0.224	C	C	.	.	H	α-helix	trans	-55.3	-48.8	167.1	174.4	-102.5	0	0	0	111.8	E21 L22 R27 N28 V29 N30 I88 S94	E21-Y25 PolarHBondContact O-N 2.79Å; L22-Y25 PolarHBondContact O-N 3.33Å; Y25-R27 VanDerWaalsContact C-N 3.3Å; Y25-R27 PolarHBondContact O-N 2.88Å; Y25-N28 PolarHBondContact O-N 2.68Å; Y25-V29 HydrophobicContact CD2-CB 3.8Å; Y25-V29 HydrophobicContact CD2-CG1 4.38Å; Y25-V29 HydrophobicContact CD2-CG2 3.61Å; Y25-V29 HydrophobicContact CE2-CB 3.63Å; Y25-V29 HydrophobicContact CE2-CG1 3.71Å; Y25-V29 HydrophobicContact CE2-CG2 3.77Å; Y25-V29 WeakPolarHBondContact O-CB 3.39Å; Y25-V29 PolarHBondContact O-N 3.09Å; Y25-N30 VanDerWaalsContact CE1-ND2 3.31Å; Y25-N30 WeakPolarHBondContact CE1-ND2 3.37Å; Y25-N30 PolarHBondContact O-N 3Å; Y25-I88 HydrophobicContact CD1-CD1 3.52Å; Y25-I88 HydrophobicContact CD1-CG1 4.29Å; Y25-I88 HydrophobicContact CD2-CB 4.28Å; Y25-I88 HydrophobicContact CD2-CD1 3.88Å; Y25-I88 HydrophobicContact CD2-CG1 3.9Å; Y25-I88 HydrophobicContact CD2-CG2 3.35Å; Y25-I88 HydrophobicContact CE1-CD1 3.65Å; Y25-I88 HydrophobicContact CE1-CG1 4.08Å; Y25-I88 HydrophobicContact CE2-CB 4.33Å; Y25-I88 HydrophobicContact CE2-CD1 4.01Å; Y25-I88 HydrophobicContact CE2-CG1 3.69Å; Y25-I88 HydrophobicContact CE2-CG2 3.74Å; Y25-I88 HydrophobicContact CG-CD1 3.62Å; Y25-I88 HydrophobicContact CG-CG1 4.18Å; Y25-I88 HydrophobicContact CG-CG2 4.01Å; Y25-S94 WeakPolarHBondContact CE2-OG 3.3Å
26	E	93.9	Very high	92.5	Very high	1 Å²	1	48 Å²	48	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-64	-35.2	179.6	-62.8	-69.6	170.9	0	0	112	L22 A23 N24 N30 R31 A32 K35 Y39 K84	L22-E26 VanDerWaalsContact O-CG 3.3Å; L22-E26 WeakPolarHBondContact O-CG 3.38Å; L22-E26 PolarHBondContact O-N 2.84Å; A23-E26 PolarHBondContact O-N 3.37Å; N24-E26 VanDerWaalsContact C-N 3.32Å; N24-E26 PolarHBondContact O-N 2.86Å; E26-N30 CarbonylContact O-C 3.56Å; E26-N30 PolarHBondContact OE2-ND2 3.3Å; E26-R31 PolarHBondContact O-N 3.03Å; E26-A32 PolarHBondContact O-N 3.09Å; E26-K35 HydrophobicContact CB-CB 3.95Å; E26-K35 HydrophobicContact CG-CB 3.9Å; E26-K35 HydrophobicContact CG-CD 4.37Å; E26-K35 WeakPolarHBondContact OE2-CD 3.28Å; E26-Y39 HydrophobicContact CG-CD2 4.03Å; E26-Y39 HydrophobicContact CG-CE2 3.75Å; E26-K84 IonicContact OE1-NZ 2.74Å; E26-K84 PolarHBondContact OE1-NZ 2.9Å
27	R	92.3	Very high	92.4	Very high	104 Å²	104	49.6 Å²	49.6	39%	0.392	23%	0.234	S	C	.	.	H	α-helix	trans	-71.6	-48.8	176.3	-179.1	-178.6	174.2	-173.4	-2.9	112.9	A23 N24 Y25 R31 Y36 P108	A23-R27 PolarHBondContact O-N 2.79Å; N24-R27 PolarHBondContact O-N 2.84Å; Y25-R27 VanDerWaalsContact C-N 3.3Å; Y25-R27 PolarHBondContact O-N 2.88Å; R27-R31 WeakPolarHBondContact O-CA 3.42Å; R27-Y36 HydrophobicContact CB-CD2 3.67Å; R27-Y36 HydrophobicContact CB-CE2 4.38Å; R27-Y36 HydrophobicContact CB-CG 3.9Å; R27-Y36 HydrophobicContact CG-CD2 4.35Å; R27-Y36 HydrophobicContact CG-CG 4.44Å; R27-P108 WeakPolarHBondContact O-CG 3.4Å
28	N	88.2	Confident	92.5	Very high	8 Å²	8	48 Å²	48	4%	0.043	23%	0.232	C	C	.	.	H	α-helix	trans	-86.6	-40.2	-166.1	-64.5	-18.3	0	0	0	111.9	N24 Y25 I97 N98 T101 P108	N24-N28 WeakPolarHBondContact O-CB 3.18Å; N24-N28 PolarHBondContact O-N 3.26Å; N24-N28 PolarHBondContact O-ND2 3.42Å; Y25-N28 PolarHBondContact O-N 2.68Å; N28-I97 HydrophobicContact CB-CG2 4.26Å; N28-I97 WeakPolarHBondContact O-CG2 3.2Å; N28-N98 VanDerWaalsContact CB-OD1 3.28Å; N28-N98 WeakPolarHBondContact CB-OD1 3.26Å; N28-N98 PolarHBondContact ND2-OD1 3.22Å; N28-T101 HydrophobicContact CB-CG2 4.23Å; N28-T101 PolarHBondContact ND2-OG1 2.74Å; N28-P108 WeakPolarHBondContact O-CB 3.48Å
29	V	88.2	Confident	92.6	Very high	27 Å²	27	48.6 Å²	48.6	16%	0.164	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-55.9	-175.7	-174	0	0	0	0	110.4	Y25 R31 I97	Y25-V29 HydrophobicContact CD2-CB 3.8Å; Y25-V29 HydrophobicContact CD2-CG1 4.38Å; Y25-V29 HydrophobicContact CD2-CG2 3.61Å; Y25-V29 HydrophobicContact CE2-CB 3.63Å; Y25-V29 HydrophobicContact CE2-CG1 3.71Å; Y25-V29 HydrophobicContact CE2-CG2 3.77Å; Y25-V29 WeakPolarHBondContact O-CB 3.39Å; Y25-V29 PolarHBondContact O-N 3.09Å; V29-R31 VanDerWaalsContact C-N 3.33Å; V29-R31 PolarHBondContact O-N 3.26Å; V29-I97 HydrophobicContact CG2-CB 4.42Å; V29-I97 HydrophobicContact CG2-CG2 4.22Å
30	N	89.9	Confident	92.5	Very high	75 Å²	75	50.2 Å²	50.2	40%	0.401	24%	0.241	S	C	.	.	S	Bend	trans	-81.1	-12.4	-177.7	-68.1	-19.3	0	0	0	113.9	Y25 E26 A32	Y25-N30 VanDerWaalsContact CE1-ND2 3.31Å; Y25-N30 WeakPolarHBondContact CE1-ND2 3.37Å; Y25-N30 PolarHBondContact O-N 3Å; E26-N30 CarbonylContact O-C 3.56Å; E26-N30 PolarHBondContact OE2-ND2 3.3Å; N30-A32 HydrophobicContact CB-CB 4.14Å; N30-A32 PolarHBondContact O-N 3.49Å; N30-A32 VanDerWaalsContact O-N 3.1Å
31	R	89.1	Confident	92.5	Very high	155 Å²	155	51.4 Å²	51.4	59%	0.585	24%	0.243	S	C	*	.			trans	54.7	29.8	-177.2	-51.8	172.4	91.6	-177.7	0.4	112.5	E26 R27 V29 I33 P108	E26-R31 PolarHBondContact O-N 3.03Å; R27-R31 WeakPolarHBondContact O-CA 3.42Å; V29-R31 VanDerWaalsContact C-N 3.33Å; V29-R31 PolarHBondContact O-N 3.26Å; R31-I33 PolarHBondContact O-N 3.09Å; R31-P108 HydrophobicContact CG-CB 4.12Å
32	A	92.9	Very high	92.7	Very high	28 Å²	28	48.7 Å²	48.7	23%	0.231	23%	0.23	C	C	.	.			trans	-97.8	81.7	-175.6	0	0	0	0	0	111.3	E26 N30 H34 K35 Y36	E26-A32 PolarHBondContact O-N 3.09Å; N30-A32 HydrophobicContact CB-CB 4.14Å; N30-A32 PolarHBondContact O-N 3.49Å; N30-A32 VanDerWaalsContact O-N 3.1Å; A32-H34 VanDerWaalsContact C-N 3.31Å; A32-H34 PolarHBondContact O-N 3.01Å; A32-K35 HydrophobicContact CB-CB 4.2Å; A32-K35 HydrophobicContact CB-CD 4.16Å; A32-K35 HydrophobicContact CB-CG 4.33Å; A32-K35 PolarHBondContact O-N 3.06Å; A32-K35 VanDerWaalsContact O-N 3.14Å; A32-Y36 PolarHBondContact O-N 3.48Å
33	I	90.5	Very high	92.8	Very high	81 Å²	81	49 Å²	49	42%	0.415	23%	0.233	S	C	.	.	H	α-helix	trans	-61	-35.1	-172.7	-163.8	63.7	0	0	0	113.9	R31 Y36 N37	R31-I33 PolarHBondContact O-N 3.09Å; I33-Y36 HydrophobicContact CD1-CD1 3.78Å; I33-Y36 HydrophobicContact CD1-CE1 4.45Å; I33-Y36 HydrophobicContact CD1-CG 4.46Å; I33-Y36 WeakPolarHBondContact O-CB 3.41Å; I33-Y36 PolarHBondContact O-N 2.97Å; I33-N37 PolarHBondContact O-N 3.2Å; I33-N37 PolarHBondContact O-ND2 2.9Å
34	H	92.3	Very high	92.7	Very high	159 Å²	159	49.2 Å²	49.2	74%	0.736	23%	0.234	S	C	*	.	H	α-helix	trans	-65.7	-39.6	177.8	-60.9	-67	0	0	0	111.8	A32 N37 A38	A32-H34 VanDerWaalsContact C-N 3.31Å; A32-H34 PolarHBondContact O-N 3.01Å; H34-N37 PolarHBondContact O-N 2.87Å; H34-A38 WeakPolarHBondContact O-CB 3.5Å; H34-A38 PolarHBondContact O-N 3.01Å
35	K	93.9	Very high	92.8	Very high	116 Å²	116	50.9 Å²	50.9	50%	0.504	24%	0.244	S	C	.	.	H	α-helix	trans	-69.1	-41.4	175.4	-69.7	-175.5	178	175.9	0	111.6	E26 A32 N37 A38 Y39	E26-K35 HydrophobicContact CB-CB 3.95Å; E26-K35 HydrophobicContact CG-CB 3.9Å; E26-K35 HydrophobicContact CG-CD 4.37Å; E26-K35 WeakPolarHBondContact OE2-CD 3.28Å; A32-K35 HydrophobicContact CB-CB 4.2Å; A32-K35 HydrophobicContact CB-CD 4.16Å; A32-K35 HydrophobicContact CB-CG 4.33Å; A32-K35 PolarHBondContact O-N 3.06Å; A32-K35 VanDerWaalsContact O-N 3.14Å; K35-N37 VanDerWaalsContact C-N 3.32Å; K35-N37 PolarHBondContact O-N 3.32Å; K35-A38 PolarHBondContact O-N 3.28Å; K35-Y39 VanDerWaalsContact O-CD2 3.24Å; K35-Y39 WeakPolarHBondContact O-CD2 3.5Å; K35-Y39 PolarHBondContact O-N 3.15Å
36	Y	94.6	Very high	93	Very high	18 Å²	18	49.1 Å²	49.1	7%	0.071	24%	0.238	C	C	.	.	H	α-helix	trans	-53.8	-49.3	171.6	164.4	-99.1	0	0	0	111.5	A23 R27 A32 I33 A38 Y39 R40	A23-Y36 HydrophobicContact CB-CD2 3.77Å; A23-Y36 HydrophobicContact CB-CE2 4.21Å; A23-Y36 VanDerWaalsContact O-CD2 3.31Å; A23-Y36 WeakPolarHBondContact O-CD2 3.17Å; R27-Y36 HydrophobicContact CB-CD2 3.67Å; R27-Y36 HydrophobicContact CB-CE2 4.38Å; R27-Y36 HydrophobicContact CB-CG 3.9Å; R27-Y36 HydrophobicContact CG-CD2 4.35Å; R27-Y36 HydrophobicContact CG-CG 4.44Å; A32-Y36 PolarHBondContact O-N 3.48Å; I33-Y36 HydrophobicContact CD1-CD1 3.78Å; I33-Y36 HydrophobicContact CD1-CE1 4.45Å; I33-Y36 HydrophobicContact CD1-CG 4.46Å; I33-Y36 WeakPolarHBondContact O-CB 3.41Å; I33-Y36 PolarHBondContact O-N 2.97Å; Y36-A38 PolarHBondContact O-N 2.95Å; Y36-Y39 PolarHBondContact O-N 3.19Å; Y36-R40 HydrophobicContact CD2-CG 4.22Å; Y36-R40 HydrophobicContact CE1-CG 4.27Å; Y36-R40 HydrophobicContact CE2-CG 3.78Å; Y36-R40 WeakPolarHBondContact O-CB 3.43Å; Y36-R40 WeakPolarHBondContact O-CG 3.48Å; Y36-R40 PolarHBondContact O-N 2.83Å
37	N	92.1	Very high	92.9	Very high	50 Å²	50	50.3 Å²	50.3	27%	0.267	25%	0.246	S	C	.	.	H	α-helix	trans	-64	-40.2	178.9	-72.6	-32.7	0	0	0	112	I33 H34 K35 R40 K41 K281	I33-N37 PolarHBondContact O-N 3.2Å; I33-N37 PolarHBondContact O-ND2 2.9Å; H34-N37 PolarHBondContact O-N 2.87Å; K35-N37 VanDerWaalsContact C-N 3.32Å; K35-N37 PolarHBondContact O-N 3.32Å; N37-R40 PolarHBondContact O-N 3.08Å; N37-K41 WeakPolarHBondContact O-CB 3.43Å; N37-K41 PolarHBondContact O-N 3.19Å; N37-K281 PolarHBondContact OD1-NZ 3.49Å
38	A	94.4	Very high	92.7	Very high	48 Å²	48	49.6 Å²	49.6	40%	0.397	25%	0.246	S	C	.	.	H	α-helix	trans	-61.7	-47.9	177.4	0	0	0	0	0	112.3	H34 K35 Y36 R40 K41 A42	H34-A38 WeakPolarHBondContact O-CB 3.5Å; H34-A38 PolarHBondContact O-N 3.01Å; K35-A38 PolarHBondContact O-N 3.28Å; Y36-A38 PolarHBondContact O-N 2.95Å; A38-R40 PolarHBondContact O-N 3.15Å; A38-K41 PolarHBondContact O-N 3.28Å; A38-A42 PolarHBondContact O-N 2.97Å
39	Y	97.1	Very high	92.9	Very high	19 Å²	19	51.6 Å²	51.6	8%	0.075	25%	0.253	C	S	.	.	H	α-helix	trans	-64.6	-39.2	176.5	-75.7	-60.7	0	0	0	112.5	L19 L22 E26 K35 Y36 A42 A43 I69 K72	L19-Y39 HydrophobicContact CD2-CD1 3.72Å; L19-Y39 HydrophobicContact CD2-CE1 4.16Å; L22-Y39 HydrophobicContact CB-CD1 4.2Å; L22-Y39 HydrophobicContact CB-CD2 4.13Å; L22-Y39 HydrophobicContact CB-CE1 4.16Å; L22-Y39 HydrophobicContact CB-CE2 4.09Å; L22-Y39 HydrophobicContact CB-CG 4.2Å; L22-Y39 HydrophobicContact CD1-CD1 4.33Å; L22-Y39 HydrophobicContact CD1-CE1 3.72Å; E26-Y39 HydrophobicContact CG-CD2 4.03Å; E26-Y39 HydrophobicContact CG-CE2 3.75Å; K35-Y39 VanDerWaalsContact O-CD2 3.24Å; K35-Y39 WeakPolarHBondContact O-CD2 3.5Å; K35-Y39 PolarHBondContact O-N 3.15Å; Y36-Y39 PolarHBondContact O-N 3.19Å; Y39-A42 PolarHBondContact O-N 2.87Å; Y39-A43 WeakPolarHBondContact O-CB 3.41Å; Y39-A43 PolarHBondContact O-N 3.28Å; Y39-I69 HydrophobicContact CD1-CD1 4.13Å; Y39-I69 HydrophobicContact CD1-CG1 4.28Å; Y39-I69 HydrophobicContact CE1-CD1 4.35Å; Y39-I69 HydrophobicContact CE1-CG1 4.02Å; Y39-K72 HydrophobicContact CE1-CD 4.45Å; Y39-K72 WeakPolarHBondContact OH-CE 3.42Å
40	R	95.6	Very high	93.1	Very high	35 Å²	35	55.4 Å²	55.4	13%	0.132	28%	0.278	C	S	.	.	H	α-helix	trans	-64	-40.4	174.4	-76.7	-78.2	-69.7	168.5	2.5	112.4	A23 Y36 N37 A38 A43 S44 D277 I278	A23-R40 HydrophobicContact CB-CG 3.98Å; Y36-R40 HydrophobicContact CD2-CG 4.22Å; Y36-R40 HydrophobicContact CE1-CG 4.27Å; Y36-R40 HydrophobicContact CE2-CG 3.78Å; Y36-R40 WeakPolarHBondContact O-CB 3.43Å; Y36-R40 WeakPolarHBondContact O-CG 3.48Å; Y36-R40 PolarHBondContact O-N 2.83Å; N37-R40 PolarHBondContact O-N 3.08Å; A38-R40 PolarHBondContact O-N 3.15Å; R40-A43 PolarHBondContact O-N 2.86Å; R40-S44 WeakPolarHBondContact O-CB 3.26Å; R40-S44 PolarHBondContact O-N 3.14Å; R40-D277 IonicContact NH2-OD1 2.67Å; R40-D277 IonicContact NH2-OD2 2.83Å; R40-D277 PolarHBondContact NH2-OD2 2.65Å; R40-I278 VanDerWaalsContact NH2-CD1 3.32Å
41	K	93.5	Very high	93.3	Very high	59 Å²	59	57.3 Å²	57.3	26%	0.257	29%	0.285	S	S	.	.	H	α-helix	trans	-61.8	-48.4	174.6	-173.2	-180	179.2	-173.3	0	110.4	N37 A38 A43 S44 V45 D63	N37-K41 WeakPolarHBondContact O-CB 3.43Å; N37-K41 PolarHBondContact O-N 3.19Å; A38-K41 PolarHBondContact O-N 3.28Å; K41-A43 PolarHBondContact O-N 3.41Å; K41-S44 WeakPolarHBondContact O-CB 3.36Å; K41-S44 PolarHBondContact O-N 3.49Å; K41-V45 WeakPolarHBondContact O-CG2 3.36Å; K41-V45 PolarHBondContact O-N 3.24Å; K41-D63 WeakPolarHBondContact CE-OD2 3.46Å; K41-D63 IonicContact NZ-OD1 3.47Å; K41-D63 PolarHBondContact NZ-OD1 3.31Å; K41-D63 VanDerWaalsContact NZ-OD1 3.09Å; K41-D63 IonicContact NZ-OD2 3.18Å; K41-D63 PolarHBondContact NZ-OD2 3.41Å
42	A	96.3	Very high	93.6	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-59.1	-48	176.9	0	0	0	0	0	112.3	L19 A38 Y39 S44 V45 I46 V65 I69	L19-A42 HydrophobicContact CD1-CB 4.19Å; A38-A42 PolarHBondContact O-N 2.97Å; Y39-A42 PolarHBondContact O-N 2.87Å; A42-S44 VanDerWaalsContact C-N 3.32Å; A42-S44 PolarHBondContact O-N 3.43Å; A42-V45 PolarHBondContact O-N 3.05Å; A42-I46 WeakPolarHBondContact O-CB 3.22Å; A42-I46 VanDerWaalsContact O-CG1 3.27Å; A42-I46 WeakPolarHBondContact O-CG1 3.32Å; A42-I46 PolarHBondContact O-N 2.99Å; A42-V65 HydrophobicContact CB-CG2 4.15Å; A42-I69 HydrophobicContact CB-CD1 3.64Å; A42-I69 HydrophobicContact CB-CG2 4.26Å
43	A	96	Very high	93.8	Very high	6 Å²	6	55.7 Å²	55.7	5%	0.05	28%	0.277	C	S	.	.	H	α-helix	trans	-60.2	-41.4	177.5	0	0	0	0	0	112	T16 L19 Y39 R40 K41 S47	T16-A43 WeakPolarHBondContact CG2-O 3.21Å; L19-A43 HydrophobicContact CB-CB 3.97Å; L19-A43 HydrophobicContact CD1-CB 4.41Å; Y39-A43 WeakPolarHBondContact O-CB 3.41Å; Y39-A43 PolarHBondContact O-N 3.28Å; R40-A43 PolarHBondContact O-N 2.86Å; K41-A43 PolarHBondContact O-N 3.41Å; A43-S47 VanDerWaalsContact O-CB 3.29Å; A43-S47 WeakPolarHBondContact O-CB 3.27Å; A43-S47 PolarHBondContact O-N 3.38Å
44	S	93.1	Very high	94.1	Very high	4 Å²	4	59.3 Å²	59.3	3%	0.028	29%	0.29	C	S	.	.	H	α-helix	trans	-60.3	-50.7	177.3	-177.6	0	0	0	0	112.4	R40 K41 A42 S47 K48 E336	R40-S44 WeakPolarHBondContact O-CB 3.26Å; R40-S44 PolarHBondContact O-N 3.14Å; K41-S44 WeakPolarHBondContact O-CB 3.36Å; K41-S44 PolarHBondContact O-N 3.49Å; A42-S44 VanDerWaalsContact C-N 3.32Å; A42-S44 PolarHBondContact O-N 3.43Å; S44-S47 PolarHBondContact O-N 3Å; S44-S47 PolarHBondContact O-OG 3.41Å; S44-K48 PolarHBondContact O-N 2.8Å; S44-E336 WeakPolarHBondContact CB-OXT 3.46Å; S44-E336 VanDerWaalsContact OG-C 3.3Å; S44-E336 PolarHBondContact OG-OXT 3.48Å
45	V	93.6	Very high	94.3	Very high	39 Å²	39	54.9 Å²	54.9	24%	0.236	27%	0.271	C	S	.	.	H	α-helix	trans	-68.9	-39.5	-177.2	-179.9	0	0	0	0	111	K41 A42 S47 K48 Y49 L62 D63	K41-V45 WeakPolarHBondContact O-CG2 3.36Å; K41-V45 PolarHBondContact O-N 3.24Å; A42-V45 PolarHBondContact O-N 3.05Å; V45-S47 VanDerWaalsContact C-N 3.35Å; V45-S47 PolarHBondContact O-N 3.26Å; V45-K48 PolarHBondContact O-N 3.48Å; V45-Y49 PolarHBondContact O-N 3.39Å; V45-L62 HydrophobicContact CG1-CB 3.77Å; V45-L62 HydrophobicContact CG1-CD1 4.35Å; V45-L62 HydrophobicContact CG1-CD2 4.4Å; V45-L62 HydrophobicContact CG1-CG 4.4Å; V45-D63 WeakPolarHBondContact CG2-O 3.31Å
46	I	95	Very high	94.4	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-65.5	-37	175.3	-69.5	167.9	0	0	0	111.6	N12 I15 T16 L19 A42 K48 Y49 I53 L62 V65 I73	N12-I46 HydrophobicContact CB-CG2 3.52Å; I15-I46 HydrophobicContact CB-CG2 4.38Å; I15-I46 HydrophobicContact CG2-CD1 3.9Å; I15-I46 HydrophobicContact CG2-CG2 4.03Å; T16-I46 HydrophobicContact CG2-CB 4.16Å; T16-I46 HydrophobicContact CG2-CG2 3.78Å; L19-I46 HydrophobicContact CD1-CD1 3.63Å; A42-I46 WeakPolarHBondContact O-CB 3.22Å; A42-I46 VanDerWaalsContact O-CG1 3.27Å; A42-I46 WeakPolarHBondContact O-CG1 3.32Å; A42-I46 PolarHBondContact O-N 2.99Å; I46-K48 PolarHBondContact O-N 3.32Å; I46-Y49 WeakPolarHBondContact O-CB 3.39Å; I46-Y49 PolarHBondContact O-N 3.5Å; I46-Y49 VanDerWaalsContact O-N 3.08Å; I46-I53 HydrophobicContact CB-CD1 4.34Å; I46-I53 HydrophobicContact CD1-CD1 4.36Å; I46-I53 HydrophobicContact CG1-CD1 3.91Å; I46-I53 HydrophobicContact CG2-CD1 3.69Å; I46-L62 HydrophobicContact CG1-CD1 3.91Å; I46-V65 HydrophobicContact CD1-CG2 3.97Å; I46-V65 HydrophobicContact CG1-CG2 4.18Å; I46-I73 HydrophobicContact CD1-CD1 3.79Å
47	S	92.5	Very high	94.6	Very high	26 Å²	26	53.7 Å²	53.7	18%	0.182	27%	0.268	C	S	.	.	H	α-helix	trans	-62.3	-25	178.9	76.8	0	0	0	0	113.7	A43 S44 V45	A43-S47 VanDerWaalsContact O-CB 3.29Å; A43-S47 WeakPolarHBondContact O-CB 3.27Å; A43-S47 PolarHBondContact O-N 3.38Å; S44-S47 PolarHBondContact O-N 3Å; S44-S47 PolarHBondContact O-OG 3.41Å; V45-S47 VanDerWaalsContact C-N 3.35Å; V45-S47 PolarHBondContact O-N 3.26Å
48	K	88.9	Confident	94.8	Very high	88 Å²	88	52.6 Å²	52.6	38%	0.383	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-8.6	178.6	-62.9	174.5	-172.4	164.3	0	112.9	S44 V45 I46 P50 E336	S44-K48 PolarHBondContact O-N 2.8Å; V45-K48 PolarHBondContact O-N 3.48Å; I46-K48 PolarHBondContact O-N 3.32Å; K48-P50 WeakPolarHBondContact O-CD 3.04Å; K48-E336 VanDerWaalsContact NZ-CB 3.35Å; K48-E336 IonicContact NZ-OE1 2.79Å; K48-E336 PolarHBondContact NZ-OE1 3.27Å; K48-E336 IonicContact NZ-OE2 2.68Å
49	Y	92.4	Very high	94.9	Very high	51 Å²	51	50.3 Å²	50.3	20%	0.2	24%	0.243	C	C	.	.			trans	-69.8	120	-179.2	-174.1	-114.7	0	0	0	108.5	V45 I46 Q51 I53 E58 L62	V45-Y49 PolarHBondContact O-N 3.39Å; I46-Y49 WeakPolarHBondContact O-CB 3.39Å; I46-Y49 PolarHBondContact O-N 3.5Å; I46-Y49 VanDerWaalsContact O-N 3.08Å; Y49-Q51 HydrophobicContact CD1-CB 4.43Å; Y49-Q51 WeakPolarHBondContact CD1-O 3.44Å; Y49-Q51 HydrophobicContact CE1-CB 3.85Å; Y49-Q51 WeakPolarHBondContact CE1-O 3.43Å; Y49-Q51 PolarHBondContact O-N 3Å; Y49-I53 HydrophobicContact CD1-CD1 4.2Å; Y49-I53 HydrophobicContact CD1-CG1 3.59Å; Y49-I53 HydrophobicContact CE1-CG1 3.81Å; Y49-E58 WeakPolarHBondContact CE1-OE1 3.3Å; Y49-E58 PolarHBondContact OH-OE1 3Å; Y49-L62 HydrophobicContact CD2-CD1 4.32Å; Y49-L62 HydrophobicContact CD2-CD2 3.77Å; Y49-L62 HydrophobicContact CE2-CD2 4.13Å; Y49-L62 HydrophobicContact CG-CD1 4.2Å; Y49-L62 HydrophobicContact CG-CD2 4.46Å
50	P	91.4	Very high	94.9	Very high	107 Å²	107	53.2 Å²	53.2	70%	0.695	26%	0.256	S	S	*	.	S	Bend	trans	-75.1	-10.4	-165.5	28.9	-36.2	0	0	0	113.7	K48	K48-P50 WeakPolarHBondContact O-CD 3.04Å
51	Q	93.8	Very high	94.9	Very high	114 Å²	114	60.1 Å²	60.1	53%	0.533	29%	0.286	S	S	.	.	S	Bend	trans	-114.5	156.4	-177.6	-60.5	-176.2	26.6	0	0	110.5	N12 Y49 I53	N12-Q51 PolarHBondContact ND2-O 3.2Å; Y49-Q51 HydrophobicContact CD1-CB 4.43Å; Y49-Q51 WeakPolarHBondContact CD1-O 3.44Å; Y49-Q51 HydrophobicContact CE1-CB 3.85Å; Y49-Q51 WeakPolarHBondContact CE1-O 3.43Å; Y49-Q51 PolarHBondContact O-N 3Å; Q51-I53 PolarHBondContact O-N 3.46Å
52	K	95.7	Very high	95	Very high	146 Å²	146	58.7 Å²	58.7	64%	0.635	28%	0.282	S	S	*	.			trans	-70.9	121	170.9	-172.6	172.5	-176.8	174.8	0	109.5	P11 N12	P11-K52 HydrophobicContact CB-CB 4.29Å; N12-K52 WeakPolarHBondContact OD1-CA 3.31Å
53	I	96.8	Very high	94.8	Very high	3 Å²	3	64.3 Å²	64.3	2%	0.015	31%	0.311	C	S	.	.			trans	-66.4	131.4	177.2	-67.2	175.1	0	0	0	109.4	N12 I15 I46 Y49 Q51 N55 A59 L62 I73 L77	N12-I53 WeakPolarHBondContact OD1-CG1 3.41Å; N12-I53 PolarHBondContact OD1-N 2.9Å; I15-I53 HydrophobicContact CD1-CB 4.01Å; I15-I53 HydrophobicContact CD1-CD1 4.36Å; I15-I53 HydrophobicContact CD1-CG2 4.26Å; I46-I53 HydrophobicContact CB-CD1 4.34Å; I46-I53 HydrophobicContact CD1-CD1 4.36Å; I46-I53 HydrophobicContact CG1-CD1 3.91Å; I46-I53 HydrophobicContact CG2-CD1 3.69Å; Y49-I53 HydrophobicContact CD1-CD1 4.2Å; Y49-I53 HydrophobicContact CD1-CG1 3.59Å; Y49-I53 HydrophobicContact CE1-CG1 3.81Å; Q51-I53 PolarHBondContact O-N 3.46Å; I53-N55 VanDerWaalsContact CG2-O 3.31Å; I53-N55 WeakPolarHBondContact CG2-O 3.49Å; I53-A59 HydrophobicContact CD1-CB 4.07Å; I53-A59 HydrophobicContact CG2-CB 3.95Å; I53-L62 HydrophobicContact CD1-CD1 4.34Å; I53-I73 HydrophobicContact CG2-CG2 4.11Å; I53-L77 HydrophobicContact CG2-CD1 4.44Å
54	K	96.7	Very high	94.5	Very high	158 Å²	158	65 Å²	65	69%	0.687	32%	0.32	S	S	*	.			trans	-100.3	-24	-175.5	-57.8	177.4	-173.5	174.1	0	113.5	E58	K54-E58 WeakPolarHBondContact CB-OE2 3.32Å; K54-E58 PolarHBondContact N-OE2 3.26Å
55	N	97.4	Very high	94.7	Very high	66 Å²	66	65.2 Å²	65.2	35%	0.353	32%	0.321	S	S	.	.	S	Bend	trans	-162.9	169.3	178.6	55.1	67.7	0	0	0	111.5	I53 E57 E58 A59	I53-N55 VanDerWaalsContact CG2-O 3.31Å; I53-N55 WeakPolarHBondContact CG2-O 3.49Å; N55-E57 VanDerWaalsContact C-N 3.35Å; N55-E57 PolarHBondContact O-N 3.34Å; N55-E57 PolarHBondContact OD1-N 3.45Å; N55-E58 WeakPolarHBondContact O-CB 3.4Å; N55-E58 PolarHBondContact O-N 3.17Å; N55-E58 PolarHBondContact OD1-N 3.48Å; N55-A59 PolarHBondContact O-N 3.42Å
56	G	96.6	Very high	94.8	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-63.8	-34.2	179.3	0	0	0	0	0	113.6	E58 A59 K60 A70 D74	G56-E58 VanDerWaalsContact C-N 3.35Å; G56-A59 PolarHBondContact O-N 2.88Å; G56-K60 WeakPolarHBondContact O-CB 3.24Å; G56-K60 PolarHBondContact O-N 3.38Å; G56-A70 WeakPolarHBondContact CA-O 3.46Å; G56-A70 WeakPolarHBondContact O-CB 3.47Å; G56-D74 PolarHBondContact N-OD1 3.12Å
57	E	97	Very high	94.8	Very high	108 Å²	108	71.8 Å²	71.8	51%	0.505	36%	0.357	S	S	.	.	H	α-helix	trans	-69.2	-32.1	177.6	-73.9	-60.9	134.4	0	0	112.4	N55 K60	N55-E57 VanDerWaalsContact C-N 3.35Å; N55-E57 PolarHBondContact O-N 3.34Å; N55-E57 PolarHBondContact OD1-N 3.45Å; E57-K60 VanDerWaalsContact CD-NZ 3.32Å; E57-K60 IonicContact OE1-NZ 2.81Å; E57-K60 PolarHBondContact OE1-NZ 3.31Å; E57-K60 IonicContact OE2-NZ 2.95Å; E57-K60 PolarHBondContact OE2-NZ 3.48Å
58	E	96.9	Very high	95	Very high	28 Å²	28	75.5 Å²	75.5	13%	0.131	37%	0.372	C	S	.	.	H	α-helix	trans	-63.8	-50.7	167.9	-176.7	-178.2	-179.9	0	0	110.7	Y49 K54 N55 G56 K60 K61	Y49-E58 WeakPolarHBondContact CE1-OE1 3.3Å; Y49-E58 PolarHBondContact OH-OE1 3Å; K54-E58 WeakPolarHBondContact CB-OE2 3.32Å; K54-E58 PolarHBondContact N-OE2 3.26Å; N55-E58 WeakPolarHBondContact O-CB 3.4Å; N55-E58 PolarHBondContact O-N 3.17Å; N55-E58 PolarHBondContact OD1-N 3.48Å; G56-E58 VanDerWaalsContact C-N 3.35Å; E58-K60 VanDerWaalsContact C-N 3.28Å; E58-K60 PolarHBondContact O-N 2.97Å; E58-K61 WeakPolarHBondContact O-CB 3.3Å; E58-K61 PolarHBondContact O-N 3.29Å
59	A	96.5	Very high	95.4	Very high	0 Å²	0	72.1 Å²	72.1	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-60.3	-37.9	-179.4	0	0	0	0	0	112.7	I53 N55 G56 K61 L62 V65 I73	I53-A59 HydrophobicContact CD1-CB 4.07Å; I53-A59 HydrophobicContact CG2-CB 3.95Å; N55-A59 PolarHBondContact O-N 3.42Å; G56-A59 PolarHBondContact O-N 2.88Å; A59-K61 PolarHBondContact O-N 3.38Å; A59-L62 WeakPolarHBondContact O-CB 3.49Å; A59-L62 VanDerWaalsContact O-CG 3.31Å; A59-L62 WeakPolarHBondContact O-CG 3.45Å; A59-L62 PolarHBondContact O-N 3.47Å; A59-V65 HydrophobicContact CB-CG1 4.02Å; A59-V65 VanDerWaalsContact O-CB 3.26Å; A59-V65 WeakPolarHBondContact O-CB 3.43Å; A59-I73 HydrophobicContact CB-CD1 3.47Å; A59-I73 VanDerWaalsContact CB-CD1 3.47Å
60	K	97.1	Very high	95.6	Very high	80 Å²	80	69.8 Å²	69.8	35%	0.348	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-15.2	-178.6	-173.7	174.5	156.4	-145.5	0	114.3	G56 E57 E58 L62 A70	G56-K60 WeakPolarHBondContact O-CB 3.24Å; G56-K60 PolarHBondContact O-N 3.38Å; E57-K60 VanDerWaalsContact CD-NZ 3.32Å; E57-K60 IonicContact OE1-NZ 2.81Å; E57-K60 PolarHBondContact OE1-NZ 3.31Å; E57-K60 IonicContact OE2-NZ 2.95Å; E57-K60 PolarHBondContact OE2-NZ 3.48Å; E58-K60 VanDerWaalsContact C-N 3.28Å; E58-K60 PolarHBondContact O-N 2.97Å; K60-L62 PolarHBondContact O-N 2.7Å; K60-A70 HydrophobicContact CB-CB 4.06Å; K60-A70 HydrophobicContact CD-CB 4.21Å
61	K	96.2	Very high	95.9	Very high	179 Å²	179	69.6 Å²	69.6	78%	0.778	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-17	171.1	-63.2	175	-176.1	178	0	112.3	E58 A59	E58-K61 WeakPolarHBondContact O-CB 3.3Å; E58-K61 PolarHBondContact O-N 3.29Å; A59-K61 PolarHBondContact O-N 3.38Å
62	L	95	Very high	96.1	Very high	30 Å²	30	65.5 Å²	65.5	16%	0.157	32%	0.318	C	S	.	.	S	Bend	trans	-82.4	130.5	178.7	-55.1	175.8	0	0	0	110.2	V45 I46 Y49 I53 A59 K60 G64 V65	V45-L62 HydrophobicContact CG1-CB 3.77Å; V45-L62 HydrophobicContact CG1-CD1 4.35Å; V45-L62 HydrophobicContact CG1-CD2 4.4Å; V45-L62 HydrophobicContact CG1-CG 4.4Å; I46-L62 HydrophobicContact CG1-CD1 3.91Å; Y49-L62 HydrophobicContact CD2-CD1 4.32Å; Y49-L62 HydrophobicContact CD2-CD2 3.77Å; Y49-L62 HydrophobicContact CE2-CD2 4.13Å; Y49-L62 HydrophobicContact CG-CD1 4.2Å; Y49-L62 HydrophobicContact CG-CD2 4.46Å; I53-L62 HydrophobicContact CD1-CD1 4.34Å; A59-L62 WeakPolarHBondContact O-CB 3.49Å; A59-L62 VanDerWaalsContact O-CG 3.31Å; A59-L62 WeakPolarHBondContact O-CG 3.45Å; A59-L62 PolarHBondContact O-N 3.47Å; K60-L62 PolarHBondContact O-N 2.7Å; L62-G64 PolarHBondContact O-N 2.88Å; L62-V65 HydrophobicContact CB-CG2 4.01Å; L62-V65 PolarHBondContact O-N 2.92Å
63	D	91.9	Very high	96.2	Very high	117 Å²	117	58.6 Å²	58.6	63%	0.626	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	125.8	175.9	175	32.6	0	0	0	110.8	K41 V45	K41-D63 WeakPolarHBondContact CE-OD2 3.46Å; K41-D63 IonicContact NZ-OD1 3.47Å; K41-D63 PolarHBondContact NZ-OD1 3.31Å; K41-D63 VanDerWaalsContact NZ-OD1 3.09Å; K41-D63 IonicContact NZ-OD2 3.18Å; K41-D63 PolarHBondContact NZ-OD2 3.41Å; V45-D63 WeakPolarHBondContact CG2-O 3.31Å
64	G	90.7	Very high	96.2	Very high	22 Å²	22	60.6 Å²	60.6	23%	0.227	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	99.8	-7.4	-173.9	0	0	0	0	0	114.9	L62	L62-G64 PolarHBondContact O-N 2.88Å
65	V	96.3	Very high	96.2	Very high	8 Å²	8	55.6 Å²	55.6	5%	0.048	28%	0.277	C	S	.	.			trans	-102.2	97.8	174.7	-175.4	0	0	0	0	110.7	A42 I46 A59 L62 I69 I73	A42-V65 HydrophobicContact CB-CG2 4.15Å; I46-V65 HydrophobicContact CD1-CG2 3.97Å; I46-V65 HydrophobicContact CG1-CG2 4.18Å; A59-V65 HydrophobicContact CB-CG1 4.02Å; A59-V65 VanDerWaalsContact O-CB 3.26Å; A59-V65 WeakPolarHBondContact O-CB 3.43Å; L62-V65 HydrophobicContact CB-CG2 4.01Å; L62-V65 PolarHBondContact O-N 2.92Å; V65-I69 HydrophobicContact CG1-CB 4.13Å; V65-I69 HydrophobicContact CG1-CG2 3.88Å; V65-I73 HydrophobicContact CG1-CD1 4.29Å
66	G	95.1	Very high	96.2	Very high	39 Å²	39	54.6 Å²	54.6	40%	0.402	27%	0.27	S	S	.	.			trans	-82.4	171.6	176.3	0	0	0	0	0	114.2	E68 I69 A70	G66-E68 VanDerWaalsContact C-N 3.25Å; G66-E68 PolarHBondContact O-N 3.36Å; G66-E68 VanDerWaalsContact O-N 3.15Å; G66-I69 PolarHBondContact O-N 3.11Å; G66-A70 PolarHBondContact O-N 3.12Å
67	K	96.6	Very high	96.1	Very high	138 Å²	138	57.8 Å²	57.8	60%	0.6	29%	0.287	S	S	*	.	H	α-helix	trans	-49.5	-41.7	178.8	-175.1	178.7	-177.7	177.8	0	113.6	K71	K67-K71 WeakPolarHBondContact O-CG 3.35Å; K67-K71 PolarHBondContact O-N 2.9Å; K67-K71 VanDerWaalsContact O-N 3.11Å
68	E	96.1	Very high	96.1	Very high	104 Å²	104	60 Å²	60	49%	0.486	30%	0.297	S	S	.	.	H	α-helix	trans	-74.4	-25.1	-178.4	-70.6	-56.6	123.1	0	0	113.9	G66 K71 K72	G66-E68 VanDerWaalsContact C-N 3.25Å; G66-E68 PolarHBondContact O-N 3.36Å; G66-E68 VanDerWaalsContact O-N 3.15Å; E68-K71 IonicContact OE1-NZ 2.77Å; E68-K71 PolarHBondContact OE1-NZ 3.36Å; E68-K72 WeakPolarHBondContact O-CG 3.4Å; E68-K72 PolarHBondContact O-NZ 2.77Å
69	I	96.9	Very high	95.9	Very high	16 Å²	16	62.3 Å²	62.3	8%	0.082	31%	0.313	C	S	.	.	H	α-helix	trans	-79	-44.7	173.1	-63.8	-178.9	0	0	0	109	L19 Y39 A42 V65 G66 K71 K72 I73	L19-I69 HydrophobicContact CD2-CG2 3.69Å; Y39-I69 HydrophobicContact CD1-CD1 4.13Å; Y39-I69 HydrophobicContact CD1-CG1 4.28Å; Y39-I69 HydrophobicContact CE1-CD1 4.35Å; Y39-I69 HydrophobicContact CE1-CG1 4.02Å; A42-I69 HydrophobicContact CB-CD1 3.64Å; A42-I69 HydrophobicContact CB-CG2 4.26Å; V65-I69 HydrophobicContact CG1-CB 4.13Å; V65-I69 HydrophobicContact CG1-CG2 3.88Å; G66-I69 PolarHBondContact O-N 3.11Å; I69-K71 VanDerWaalsContact C-N 3.32Å; I69-K71 PolarHBondContact O-N 3.4Å; I69-K72 WeakPolarHBondContact O-CB 3.37Å; I69-K72 PolarHBondContact O-N 2.83Å; I69-I73 HydrophobicContact CG2-CD1 4.02Å; I69-I73 HydrophobicContact CG2-CG1 4.44Å; I69-I73 WeakPolarHBondContact O-CG1 3.45Å; I69-I73 PolarHBondContact O-N 3.38Å
70	A	97.5	Very high	95.7	Very high	2 Å²	2	64.6 Å²	64.6	2%	0.017	34%	0.337	C	S	.	.	H	α-helix	trans	-52.4	-47.4	175.7	0	0	0	0	0	112.4	G56 K60 G66 K72 I73 D74	G56-A70 WeakPolarHBondContact CA-O 3.46Å; G56-A70 WeakPolarHBondContact O-CB 3.47Å; K60-A70 HydrophobicContact CB-CB 4.06Å; K60-A70 HydrophobicContact CD-CB 4.21Å; G66-A70 PolarHBondContact O-N 3.12Å; A70-K72 VanDerWaalsContact C-N 3.29Å; A70-K72 PolarHBondContact O-N 2.82Å; A70-I73 WeakPolarHBondContact O-CB 3.29Å; A70-I73 PolarHBondContact O-N 2.82Å; A70-I73 VanDerWaalsContact O-N 3.11Å; A70-D74 PolarHBondContact O-N 2.82Å
71	K	97.6	Very high	95.4	Very high	104 Å²	104	63.9 Å²	63.9	45%	0.452	34%	0.339	S	S	.	.	H	α-helix	trans	-57.9	-37.9	175	-73.1	174.7	-178.5	171.6	0	113.8	K67 E68 I69 D74 E75	K67-K71 WeakPolarHBondContact O-CG 3.35Å; K67-K71 PolarHBondContact O-N 2.9Å; K67-K71 VanDerWaalsContact O-N 3.11Å; E68-K71 IonicContact OE1-NZ 2.77Å; E68-K71 PolarHBondContact OE1-NZ 3.36Å; I69-K71 VanDerWaalsContact C-N 3.32Å; I69-K71 PolarHBondContact O-N 3.4Å; K71-D74 PolarHBondContact O-N 3.01Å; K71-E75 PolarHBondContact O-N 3.02Å
72	K	97.4	Very high	95.2	Very high	28 Å²	28	55.6 Å²	55.6	12%	0.122	30%	0.303	C	S	.	.	H	α-helix	trans	-71.5	-34.4	178.3	-68.8	174.9	-176.1	68.3	0	111.3	F18 L22 Y39 E68 I69 A70 E75 F76 L82	F18-K72 HydrophobicContact CE2-CB 4.05Å; F18-K72 HydrophobicContact CZ-CB 4.27Å; L22-K72 HydrophobicContact CD1-CD 3.84Å; Y39-K72 HydrophobicContact CE1-CD 4.45Å; Y39-K72 WeakPolarHBondContact OH-CE 3.42Å; E68-K72 WeakPolarHBondContact O-CG 3.4Å; E68-K72 PolarHBondContact O-NZ 2.77Å; I69-K72 WeakPolarHBondContact O-CB 3.37Å; I69-K72 PolarHBondContact O-N 2.83Å; A70-K72 VanDerWaalsContact C-N 3.29Å; A70-K72 PolarHBondContact O-N 2.82Å; K72-E75 PolarHBondContact O-N 3Å; K72-F76 VanDerWaalsContact O-CB 3.3Å; K72-F76 WeakPolarHBondContact O-CB 3.48Å; K72-F76 PolarHBondContact O-N 2.71Å; K72-L82 HydrophobicContact CB-CD1 3.77Å; K72-L82 HydrophobicContact CB-CD2 4.42Å; K72-L82 HydrophobicContact CD-CD2 4.18Å; K72-L82 HydrophobicContact CG-CD1 4.02Å; K72-L82 HydrophobicContact CG-CD2 4.29Å
73	I	97.1	Very high	95.1	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-64.2	-45.2	172.4	-66	171	0	0	0	109.8	I15 F18 I46 I53 A59 V65 I69 A70 E75 F76 L77	I15-I73 HydrophobicContact CD1-CG2 3.96Å; I15-I73 HydrophobicContact CG2-CD1 4.09Å; I15-I73 HydrophobicContact CG2-CG1 3.92Å; F18-I73 HydrophobicContact CE1-CG1 4.38Å; F18-I73 HydrophobicContact CZ-CG1 3.86Å; I46-I73 HydrophobicContact CD1-CD1 3.79Å; I53-I73 HydrophobicContact CG2-CG2 4.11Å; A59-I73 HydrophobicContact CB-CD1 3.47Å; A59-I73 VanDerWaalsContact CB-CD1 3.47Å; V65-I73 HydrophobicContact CG1-CD1 4.29Å; I69-I73 HydrophobicContact CG2-CD1 4.02Å; I69-I73 HydrophobicContact CG2-CG1 4.44Å; I69-I73 WeakPolarHBondContact O-CG1 3.45Å; I69-I73 PolarHBondContact O-N 3.38Å; A70-I73 WeakPolarHBondContact O-CB 3.29Å; A70-I73 PolarHBondContact O-N 2.82Å; A70-I73 VanDerWaalsContact O-N 3.11Å; I73-E75 PolarHBondContact O-N 3.13Å; I73-F76 PolarHBondContact O-N 3.01Å; I73-L77 HydrophobicContact CG2-CD1 3.72Å; I73-L77 HydrophobicContact CG2-CG 4.2Å; I73-L77 WeakPolarHBondContact O-CB 3.31Å; I73-L77 VanDerWaalsContact O-CG 3.28Å; I73-L77 WeakPolarHBondContact O-CG 3.33Å; I73-L77 PolarHBondContact O-N 2.78Å
74	D	97.8	Very high	95	Very high	45 Å²	45	59.8 Å²	59.8	24%	0.241	32%	0.315	C	S	.	.	H	α-helix	trans	-58.8	-47.1	174.9	-74.4	-44.5	0	0	0	112.1	G56 A70 K71 F76 L77 Q78	G56-D74 PolarHBondContact N-OD1 3.12Å; A70-D74 PolarHBondContact O-N 2.82Å; K71-D74 PolarHBondContact O-N 3.01Å; D74-F76 VanDerWaalsContact C-N 3.35Å; D74-F76 PolarHBondContact O-N 3.13Å; D74-L77 PolarHBondContact O-N 2.75Å; D74-Q78 WeakPolarHBondContact O-CB 3.45Å; D74-Q78 VanDerWaalsContact O-CG 3.22Å; D74-Q78 WeakPolarHBondContact O-CG 3.3Å; D74-Q78 PolarHBondContact O-N 3.44Å
75	E	97.3	Very high	94.9	Very high	54 Å²	54	58.9 Å²	58.9	25%	0.252	31%	0.305	S	S	.	.	H	α-helix	trans	-58.6	-45.6	176.3	-177.5	-176.2	162	0	0	112	K71 K72 I73 Q78 T79 L82 K83	K71-E75 PolarHBondContact O-N 3.02Å; K72-E75 PolarHBondContact O-N 3Å; I73-E75 PolarHBondContact O-N 3.13Å; E75-Q78 PolarHBondContact O-N 3.04Å; E75-T79 WeakPolarHBondContact O-CB 3.48Å; E75-T79 WeakPolarHBondContact O-CG2 3.3Å; E75-T79 PolarHBondContact O-N 3.45Å; E75-T79 PolarHBondContact O-OG1 3.31Å; E75-L82 HydrophobicContact CB-CD1 4.01Å; E75-L82 VanDerWaalsContact CD-CD1 3.45Å; E75-L82 HydrophobicContact CG-CD1 3.99Å; E75-L82 WeakPolarHBondContact OE2-CD1 3.43Å; E75-K83 WeakPolarHBondContact OE1-CB 3.43Å; E75-K83 WeakPolarHBondContact OE1-CG 3.26Å; E75-K83 PolarHBondContact OE1-N 3.14Å
76	F	96.5	Very high	94.6	Very high	44 Å²	44	61.7 Å²	61.7	19%	0.193	32%	0.317	C	S	.	.	H	α-helix	trans	-65.3	-43	179.3	178.8	-100.5	0	0	0	112.2	I15 F18 K72 I73 D74 Q78 G80 T81	I15-F76 HydrophobicContact CG1-CD1 3.97Å; I15-F76 HydrophobicContact CG1-CE1 4.1Å; F18-F76 HydrophobicContact CD1-CB 4.14Å; F18-F76 AromaticContact CD1-CD1 3.99Å; F18-F76 HydrophobicContact CD1-CD1 3.99Å; F18-F76 AromaticContact CD1-CD2 3.84Å; F18-F76 HydrophobicContact CD1-CD2 3.84Å; F18-F76 HydrophobicContact CD1-CE1 4.37Å; F18-F76 HydrophobicContact CD1-CE2 4.24Å; F18-F76 AromaticContact CD1-CG 3.7Å; F18-F76 HydrophobicContact CD1-CG 3.7Å; F18-F76 HydrophobicContact CD1-CZ 4.48Å; F18-F76 HydrophobicContact CE1-CB 3.81Å; F18-F76 AromaticContact CE1-CD1 3.94Å; F18-F76 HydrophobicContact CE1-CD1 3.94Å; F18-F76 HydrophobicContact CE1-CD2 4.36Å; F18-F76 AromaticContact CE1-CG 3.77Å; F18-F76 HydrophobicContact CE1-CG 3.77Å; F18-F76 HydrophobicContact CZ-CB 4.49Å; K72-F76 VanDerWaalsContact O-CB 3.3Å; K72-F76 WeakPolarHBondContact O-CB 3.48Å; K72-F76 PolarHBondContact O-N 2.71Å; I73-F76 PolarHBondContact O-N 3.01Å; D74-F76 VanDerWaalsContact C-N 3.35Å; D74-F76 PolarHBondContact O-N 3.13Å; F76-Q78 VanDerWaalsContact C-N 3.29Å; F76-Q78 PolarHBondContact O-N 3Å; F76-G80 VanDerWaalsContact CE2-O 3.3Å; F76-G80 WeakPolarHBondContact CE2-O 3.16Å; F76-G80 WeakPolarHBondContact O-CA 3.43Å; F76-G80 PolarHBondContact O-N 3.26Å; F76-T81 WeakPolarHBondContact CA-O 3.31Å
77	L	95.6	Very high	94.3	Very high	67 Å²	67	67.8 Å²	67.8	35%	0.351	33%	0.333	S	S	.	.	H	α-helix	trans	-67.7	-30.4	178.5	-71.3	173.9	0	0	0	112.5	I15 I53 I73 D74	I15-L77 HydrophobicContact CD1-CD2 4.37Å; I53-L77 HydrophobicContact CG2-CD1 4.44Å; I73-L77 HydrophobicContact CG2-CD1 3.72Å; I73-L77 HydrophobicContact CG2-CG 4.2Å; I73-L77 WeakPolarHBondContact O-CB 3.31Å; I73-L77 VanDerWaalsContact O-CG 3.28Å; I73-L77 WeakPolarHBondContact O-CG 3.33Å; I73-L77 PolarHBondContact O-N 2.78Å; D74-L77 PolarHBondContact O-N 2.75Å
78	Q	95.8	Very high	93.9	Very high	156 Å²	156	61.7 Å²	61.7	73%	0.729	31%	0.307	S	S	*	.	H	α-helix	trans	-79.8	-39.2	178.2	-72.4	171.4	17.6	0	0	113	D74 E75 F76	D74-Q78 WeakPolarHBondContact O-CB 3.45Å; D74-Q78 VanDerWaalsContact O-CG 3.22Å; D74-Q78 WeakPolarHBondContact O-CG 3.3Å; D74-Q78 PolarHBondContact O-N 3.44Å; E75-Q78 PolarHBondContact O-N 3.04Å; F76-Q78 VanDerWaalsContact C-N 3.29Å; F76-Q78 PolarHBondContact O-N 3Å
79	T	94	Very high	93.3	Very high	75 Å²	75	62.2 Å²	62.2	46%	0.46	30%	0.304	S	S	.	.	H	α-helix	trans	-112.2	-10.7	-169.2	70.3	0	0	0	0	113.7	E75 T81	E75-T79 WeakPolarHBondContact O-CB 3.48Å; E75-T79 WeakPolarHBondContact O-CG2 3.3Å; E75-T79 PolarHBondContact O-N 3.45Å; E75-T79 PolarHBondContact O-OG1 3.31Å; T79-T81 PolarHBondContact O-N 3.07Å; T79-T81 PolarHBondContact OG1-N 3.45Å; T79-T81 PolarHBondContact OG1-O 3.1Å
80	G	90.9	Very high	92.8	Very high	49 Å²	49	67.6 Å²	67.6	51%	0.505	33%	0.333	S	S	.	.	S	Bend	trans	72.1	-3.6	-171.1	0	0	0	0	0	114.3	F76	F76-G80 VanDerWaalsContact CE2-O 3.3Å; F76-G80 WeakPolarHBondContact CE2-O 3.16Å; F76-G80 WeakPolarHBondContact O-CA 3.43Å; F76-G80 PolarHBondContact O-N 3.26Å
81	T	90.6	Very high	92.3	Very high	65 Å²	65	70.6 Å²	70.6	40%	0.399	35%	0.349	S	S	.	.	S	Bend	trans	-139.9	174.2	-175.8	61.2	0	0	0	0	111.1	F76 T79	F76-T81 WeakPolarHBondContact CA-O 3.31Å; T79-T81 PolarHBondContact O-N 3.07Å; T79-T81 PolarHBondContact OG1-N 3.45Å; T79-T81 PolarHBondContact OG1-O 3.1Å
82	L	93.3	Very high	91.8	Very high	4 Å²	4	70.8 Å²	70.8	2%	0.021	36%	0.355	C	S	.	.			trans	-128.3	118	173.6	-163.8	79.9	0	0	0	109.3	F18 L22 K72 E75 K84 L85 E86	F18-L82 HydrophobicContact CD2-CD2 4.32Å; L22-L82 HydrophobicContact CD1-CD2 3.83Å; L22-L82 HydrophobicContact CD2-CD2 4.36Å; L22-L82 HydrophobicContact CG-CD2 4.42Å; K72-L82 HydrophobicContact CB-CD1 3.77Å; K72-L82 HydrophobicContact CB-CD2 4.42Å; K72-L82 HydrophobicContact CD-CD2 4.18Å; K72-L82 HydrophobicContact CG-CD1 4.02Å; K72-L82 HydrophobicContact CG-CD2 4.29Å; E75-L82 HydrophobicContact CB-CD1 4.01Å; E75-L82 VanDerWaalsContact CD-CD1 3.45Å; E75-L82 HydrophobicContact CG-CD1 3.99Å; E75-L82 WeakPolarHBondContact OE2-CD1 3.43Å; L82-K84 HydrophobicContact CD2-CB 4.19Å; L82-K84 HydrophobicContact CG-CB 4.45Å; L82-K84 PolarHBondContact O-N 2.84Å; L82-K84 VanDerWaalsContact O-N 3.09Å; L82-L85 HydrophobicContact CB-CB 4.26Å; L82-L85 HydrophobicContact CB-CD1 4.31Å; L82-L85 HydrophobicContact CB-CG 4.35Å; L82-L85 HydrophobicContact CD2-CD1 4.36Å; L82-L85 HydrophobicContact CD2-CG 4.11Å; L82-L85 PolarHBondContact O-N 3.41Å; L82-E86 PolarHBondContact O-N 3.28Å
83	K	91.7	Very high	91.2	Very high	160 Å²	160	71.2 Å²	71.2	70%	0.696	36%	0.36	S	S	*	.	H	α-helix	trans	-54.2	-36.3	-178.2	-69.7	177.3	-178.4	178.9	0	112.4	E75 K87	E75-K83 WeakPolarHBondContact OE1-CB 3.43Å; E75-K83 WeakPolarHBondContact OE1-CG 3.26Å; E75-K83 PolarHBondContact OE1-N 3.14Å; K83-K87 PolarHBondContact O-N 3.1Å
84	K	89.8	Confident	90.7	Very high	76 Å²	76	71.2 Å²	71.2	33%	0.33	36%	0.36	S	S	.	.	H	α-helix	trans	-62.6	-43	175.7	-179.4	173.2	174.3	-179.7	0	111.8	L22 E26 L82 K87 I88	L22-K84 HydrophobicContact CD2-CD 4.13Å; L22-K84 HydrophobicContact CD2-CG 4.38Å; E26-K84 IonicContact OE1-NZ 2.74Å; E26-K84 PolarHBondContact OE1-NZ 2.9Å; L82-K84 HydrophobicContact CD2-CB 4.19Å; L82-K84 HydrophobicContact CG-CB 4.45Å; L82-K84 PolarHBondContact O-N 2.84Å; L82-K84 VanDerWaalsContact O-N 3.09Å; K84-K87 PolarHBondContact O-N 3.42Å; K84-I88 HydrophobicContact CG-CD1 3.86Å; K84-I88 WeakPolarHBondContact O-CD1 3.42Å; K84-I88 WeakPolarHBondContact O-CG1 3.36Å; K84-I88 PolarHBondContact O-N 3.42Å; K84-I88 VanDerWaalsContact O-N 3.09Å
85	L	88.7	Confident	90.2	Very high	3 Å²	3	71.5 Å²	71.5	2%	0.016	37%	0.366	C	S	.	.	H	α-helix	trans	-70.9	-40.3	178.7	-77.5	177.7	0	0	0	111.7	F18 E21 L22 L82 K87 I88 R89	F18-L85 HydrophobicContact CB-CD1 3.62Å; E21-L85 HydrophobicContact CB-CD1 4.36Å; E21-L85 HydrophobicContact CB-CD2 4.12Å; E21-L85 HydrophobicContact CG-CD2 3.78Å; L22-L85 HydrophobicContact CD2-CD2 3.63Å; L22-L85 HydrophobicContact CD2-CG 3.99Å; L22-L85 HydrophobicContact CG-CD1 4.39Å; L22-L85 HydrophobicContact CG-CD2 3.89Å; L22-L85 HydrophobicContact CG-CG 4.15Å; L82-L85 HydrophobicContact CB-CB 4.26Å; L82-L85 HydrophobicContact CB-CD1 4.31Å; L82-L85 HydrophobicContact CB-CG 4.35Å; L82-L85 HydrophobicContact CD2-CD1 4.36Å; L82-L85 HydrophobicContact CD2-CG 4.11Å; L82-L85 PolarHBondContact O-N 3.41Å; L85-K87 VanDerWaalsContact C-N 3.26Å; L85-K87 PolarHBondContact O-N 2.94Å; L85-I88 HydrophobicContact CD2-CD1 4.19Å; L85-I88 CarbonylContact O-C 3.59Å; L85-I88 WeakPolarHBondContact O-CA 3.42Å; L85-I88 WeakPolarHBondContact O-CB 3.46Å; L85-I88 PolarHBondContact O-N 3.38Å; L85-R89 VanDerWaalsContact O-CG 3.31Å; L85-R89 WeakPolarHBondContact O-CG 3.37Å; L85-R89 PolarHBondContact O-N 2.71Å
86	E	89.8	Confident	89.9	Confident	66 Å²	66	69.7 Å²	69.7	31%	0.308	36%	0.359	S	S	.	.	H	α-helix	trans	-57.4	-42	174.3	-66.4	-54.3	122.7	0	0	111.5	L82 I88 R89 N90	L82-E86 PolarHBondContact O-N 3.28Å; E86-I88 PolarHBondContact O-N 2.87Å; E86-R89 PolarHBondContact O-N 2.98Å; E86-R89 IonicContact OE1-CZ 2.82Å; E86-R89 IonicContact OE1-NH1 3.58Å; E86-R89 PolarHBondContact OE1-NH1 2.79Å; E86-N90 WeakPolarHBondContact O-CB 3.37Å; E86-N90 VanDerWaalsContact O-CG 3.31Å; E86-N90 PolarHBondContact O-N 3.27Å; E86-N90 VanDerWaalsContact O-N 3.15Å; E86-N90 PolarHBondContact O-ND2 3.45Å
87	K	89.8	Confident	89.7	Confident	167 Å²	167	67.6 Å²	67.6	73%	0.726	35%	0.35	S	S	*	.	H	α-helix	trans	-64.2	-38.9	173.3	-173.1	175.9	180	178.3	0	112.9	K83 K84 L85 D91	K83-K87 PolarHBondContact O-N 3.1Å; K84-K87 PolarHBondContact O-N 3.42Å; L85-K87 VanDerWaalsContact C-N 3.26Å; L85-K87 PolarHBondContact O-N 2.94Å; K87-D91 PolarHBondContact O-N 3.46Å
88	I	87.7	Confident	89.4	Confident	10 Å²	10	66.2 Å²	66.2	5%	0.051	34%	0.343	C	S	.	.	H	α-helix	trans	-67.8	-42.4	179.1	-71.6	162.3	0	0	0	111.1	L22 Y25 K84 L85 E86 N90 D91	L22-I88 HydrophobicContact CD2-CD1 4.28Å; Y25-I88 HydrophobicContact CD1-CD1 3.52Å; Y25-I88 HydrophobicContact CD1-CG1 4.29Å; Y25-I88 HydrophobicContact CD2-CB 4.28Å; Y25-I88 HydrophobicContact CD2-CD1 3.88Å; Y25-I88 HydrophobicContact CD2-CG1 3.9Å; Y25-I88 HydrophobicContact CD2-CG2 3.35Å; Y25-I88 HydrophobicContact CE1-CD1 3.65Å; Y25-I88 HydrophobicContact CE1-CG1 4.08Å; Y25-I88 HydrophobicContact CE2-CB 4.33Å; Y25-I88 HydrophobicContact CE2-CD1 4.01Å; Y25-I88 HydrophobicContact CE2-CG1 3.69Å; Y25-I88 HydrophobicContact CE2-CG2 3.74Å; Y25-I88 HydrophobicContact CG-CD1 3.62Å; Y25-I88 HydrophobicContact CG-CG1 4.18Å; Y25-I88 HydrophobicContact CG-CG2 4.01Å; K84-I88 HydrophobicContact CG-CD1 3.86Å; K84-I88 WeakPolarHBondContact O-CD1 3.42Å; K84-I88 WeakPolarHBondContact O-CG1 3.36Å; K84-I88 PolarHBondContact O-N 3.42Å; K84-I88 VanDerWaalsContact O-N 3.09Å; L85-I88 HydrophobicContact CD2-CD1 4.19Å; L85-I88 CarbonylContact O-C 3.59Å; L85-I88 WeakPolarHBondContact O-CA 3.42Å; L85-I88 WeakPolarHBondContact O-CB 3.46Å; L85-I88 PolarHBondContact O-N 3.38Å; E86-I88 PolarHBondContact O-N 2.87Å; I88-N90 VanDerWaalsContact C-N 3.29Å; I88-N90 PolarHBondContact O-N 3.12Å; I88-D91 PolarHBondContact O-N 2.98Å; I88-D91 VanDerWaalsContact O-N 3.17Å
89	R	84	Confident	89.3	Confident	115 Å²	115	61.1 Å²	61.1	43%	0.434	32%	0.318	S	S	.	.	H	α-helix	trans	-64.3	-36	179.1	-70.3	167.4	-179.1	-178.5	-9.2	111.8	E21 L85 E86 D91 S95	E21-R89 IonicContact OE1-CZ 3.47Å; E21-R89 IonicContact OE1-NE 3.76Å; E21-R89 PolarHBondContact OE1-NE 3.22Å; E21-R89 IonicContact OE1-NH2 2.7Å; E21-R89 IonicContact OE2-CZ 3.24Å; E21-R89 IonicContact OE2-NE 2.66Å; E21-R89 IonicContact OE2-NH2 2.91Å; E21-R89 PolarHBondContact OE2-NH2 2.96Å; L85-R89 VanDerWaalsContact O-CG 3.31Å; L85-R89 WeakPolarHBondContact O-CG 3.37Å; L85-R89 PolarHBondContact O-N 2.71Å; E86-R89 PolarHBondContact O-N 2.98Å; E86-R89 IonicContact OE1-CZ 2.82Å; E86-R89 IonicContact OE1-NH1 3.58Å; E86-R89 PolarHBondContact OE1-NH1 2.79Å; R89-D91 VanDerWaalsContact C-N 3.3Å; R89-S95 PolarHBondContact O-OG 2.75Å
90	N	85.6	Confident	89.3	Confident	129 Å²	129	57.6 Å²	57.6	69%	0.69	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-0.5	176.8	-66.7	-35.5	0	0	0	114	E86 I88	E86-N90 WeakPolarHBondContact O-CB 3.37Å; E86-N90 VanDerWaalsContact O-CG 3.31Å; E86-N90 PolarHBondContact O-N 3.27Å; E86-N90 VanDerWaalsContact O-N 3.15Å; E86-N90 PolarHBondContact O-ND2 3.45Å; I88-N90 VanDerWaalsContact C-N 3.29Å; I88-N90 PolarHBondContact O-N 3.12Å
91	D	88.3	Confident	89.5	Confident	65 Å²	65	56.1 Å²	56.1	35%	0.348	28%	0.278	S	S	.	.			trans	-94.6	108.1	174.8	177.1	63.6	0	0	0	110.2	K87 I88 R89 T93 S94 S95	K87-D91 PolarHBondContact O-N 3.46Å; I88-D91 PolarHBondContact O-N 2.98Å; I88-D91 VanDerWaalsContact O-N 3.17Å; R89-D91 VanDerWaalsContact C-N 3.3Å; D91-T93 PolarHBondContact O-N 3.42Å; D91-T93 VanDerWaalsContact O-N 3.14Å; D91-T93 WeakPolarHBondContact OD2-CB 3.36Å; D91-S94 WeakPolarHBondContact O-CB 3.44Å; D91-S94 PolarHBondContact O-N 2.82Å; D91-S94 VanDerWaalsContact OD2-CB 3.24Å; D91-S94 WeakPolarHBondContact OD2-CB 3.45Å; D91-S94 PolarHBondContact OD2-N 3.48Å; D91-S94 PolarHBondContact OD2-OG 2.93Å; D91-S95 PolarHBondContact O-N 2.8Å
92	D	85.7	Confident	89.8	Confident	109 Å²	109	57.9 Å²	57.9	58%	0.583	28%	0.277	S	S	*	.	H	α-helix	trans	-50.9	-40.3	-179.5	-77.7	-1.9	0	0	0	112.6	S95 S96	D92-S95 PolarHBondContact O-N 3.29Å; D92-S96 WeakPolarHBondContact O-CB 3.39Å; D92-S96 PolarHBondContact O-N 3.23Å; D92-S96 PolarHBondContact O-OG 3.36Å; D92-S96 VanDerWaalsContact O-OG 3.1Å
93	T	85.9	Confident	89.9	Confident	36 Å²	36	57.8 Å²	57.8	22%	0.221	28%	0.276	C	S	.	.	H	α-helix	trans	-61.1	-49	179.3	-54.2	0	0	0	0	111	D91 I97 F115	D91-T93 PolarHBondContact O-N 3.42Å; D91-T93 VanDerWaalsContact O-N 3.14Å; D91-T93 WeakPolarHBondContact OD2-CB 3.36Å; T93-I97 HydrophobicContact CG2-CD1 3.71Å; T93-I97 WeakPolarHBondContact O-CB 3.31Å; T93-I97 VanDerWaalsContact O-CG1 3.23Å; T93-I97 WeakPolarHBondContact O-CG1 3.35Å; T93-I97 PolarHBondContact O-N 3.05Å; T93-F115 VanDerWaalsContact CA-CZ 3.45Å; T93-F115 HydrophobicContact CG2-CD1 4.01Å; T93-F115 HydrophobicContact CG2-CE1 3.66Å; T93-F115 HydrophobicContact CG2-CZ 4.03Å; T93-F115 WeakPolarHBondContact OG1-CE1 3.47Å; T93-F115 WeakPolarHBondContact OG1-CZ 3.46Å
94	S	85.3	Confident	90.1	Very high	1 Å²	1	52 Å²	52	1%	0.007	26%	0.255	C	S	.	.	H	α-helix	trans	-64.9	-44.1	-179.8	-61.9	0	0	0	0	112.1	Y25 D91 N98	Y25-S94 WeakPolarHBondContact CE2-OG 3.3Å; D91-S94 WeakPolarHBondContact O-CB 3.44Å; D91-S94 PolarHBondContact O-N 2.82Å; D91-S94 VanDerWaalsContact OD2-CB 3.24Å; D91-S94 WeakPolarHBondContact OD2-CB 3.45Å; D91-S94 PolarHBondContact OD2-N 3.48Å; D91-S94 PolarHBondContact OD2-OG 2.93Å; S94-N98 VanDerWaalsContact O-CB 3.26Å; S94-N98 WeakPolarHBondContact O-CB 3.49Å; S94-N98 VanDerWaalsContact O-CG 3.31Å; S94-N98 PolarHBondContact O-N 3.22Å; S94-N98 PolarHBondContact O-ND2 2.98Å; S94-N98 VanDerWaalsContact O-ND2 3.15Å
95	S	88.4	Confident	90.3	Very high	51 Å²	51	49.7 Å²	49.7	36%	0.357	25%	0.253	S	S	.	.	H	α-helix	trans	-64.2	-46.5	179.5	-71.1	0	0	0	0	111.6	R89 D91 D92 N98 F99	R89-S95 PolarHBondContact O-OG 2.75Å; D91-S95 PolarHBondContact O-N 2.8Å; D92-S95 PolarHBondContact O-N 3.29Å; S95-N98 PolarHBondContact O-N 3.46Å; S95-F99 WeakPolarHBondContact O-CB 3.24Å; S95-F99 PolarHBondContact O-N 3.29Å
96	S	90.8	Very high	90.7	Very high	15 Å²	15	49.9 Å²	49.9	11%	0.105	25%	0.254	C	S	.	.	H	α-helix	trans	-65.6	-45.6	176.7	-63.8	0	0	0	0	112.6	D92 N98 F99 L100 K120	D92-S96 WeakPolarHBondContact O-CB 3.39Å; D92-S96 PolarHBondContact O-N 3.23Å; D92-S96 PolarHBondContact O-OG 3.36Å; D92-S96 VanDerWaalsContact O-OG 3.1Å; S96-N98 PolarHBondContact O-N 3.18Å; S96-F99 WeakPolarHBondContact O-CB 3.37Å; S96-F99 PolarHBondContact O-N 2.95Å; S96-L100 VanDerWaalsContact O-CG 3.29Å; S96-L100 WeakPolarHBondContact O-CG 3.46Å; S96-L100 PolarHBondContact O-N 3.38Å; S96-K120 WeakPolarHBondContact OG-CB 3.39Å; S96-K120 WeakPolarHBondContact OG-CG 3.49Å
97	I	91.4	Very high	91	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-61.6	-45.6	178.4	-70.9	172.2	0	0	0	110.5	N28 V29 T93 F99 L100 T101 A111 R112 F115	N28-I97 HydrophobicContact CB-CG2 4.26Å; N28-I97 WeakPolarHBondContact O-CG2 3.2Å; V29-I97 HydrophobicContact CG2-CB 4.42Å; V29-I97 HydrophobicContact CG2-CG2 4.22Å; T93-I97 HydrophobicContact CG2-CD1 3.71Å; T93-I97 WeakPolarHBondContact O-CB 3.31Å; T93-I97 VanDerWaalsContact O-CG1 3.23Å; T93-I97 WeakPolarHBondContact O-CG1 3.35Å; T93-I97 PolarHBondContact O-N 3.05Å; I97-F99 VanDerWaalsContact C-N 3.31Å; I97-F99 PolarHBondContact O-N 3.24Å; I97-L100 PolarHBondContact O-N 2.96Å; I97-T101 VanDerWaalsContact O-CG2 3.32Å; I97-T101 WeakPolarHBondContact O-CG2 3.41Å; I97-T101 PolarHBondContact O-N 3.35Å; I97-T101 VanDerWaalsContact O-N 3.1Å; I97-T101 PolarHBondContact O-OG1 3.44Å; I97-A111 HydrophobicContact CG2-CB 4.06Å; I97-R112 HydrophobicContact CD1-CB 4.31Å; I97-F115 HydrophobicContact CG1-CB 4.25Å; I97-F115 HydrophobicContact CG1-CG 4.49Å
98	N	89.5	Confident	91.1	Very high	38 Å²	38	41.7 Å²	41.7	20%	0.203	23%	0.229	C	C	.	.	H	α-helix	trans	-60.3	-42.6	176.8	-81.2	-35.4	0	0	0	111.8	N28 S94 S95 S96 T101	N28-N98 VanDerWaalsContact CB-OD1 3.28Å; N28-N98 WeakPolarHBondContact CB-OD1 3.26Å; N28-N98 PolarHBondContact ND2-OD1 3.22Å; S94-N98 VanDerWaalsContact O-CB 3.26Å; S94-N98 WeakPolarHBondContact O-CB 3.49Å; S94-N98 VanDerWaalsContact O-CG 3.31Å; S94-N98 PolarHBondContact O-N 3.22Å; S94-N98 PolarHBondContact O-ND2 2.98Å; S94-N98 VanDerWaalsContact O-ND2 3.15Å; S95-N98 PolarHBondContact O-N 3.46Å; S96-N98 PolarHBondContact O-N 3.18Å; N98-T101 PolarHBondContact O-OG1 2.82Å
99	F	93.3	Very high	91.4	Very high	49 Å²	49	43.8 Å²	43.8	22%	0.215	25%	0.248	C	C	.	.	H	α-helix	trans	-59.5	-54.1	176.2	175.5	-98.2	0	0	0	111.6	S95 S96 I97 T101 R102 L122 F143	S95-F99 WeakPolarHBondContact O-CB 3.24Å; S95-F99 PolarHBondContact O-N 3.29Å; S96-F99 WeakPolarHBondContact O-CB 3.37Å; S96-F99 PolarHBondContact O-N 2.95Å; I97-F99 VanDerWaalsContact C-N 3.31Å; I97-F99 PolarHBondContact O-N 3.24Å; F99-T101 VanDerWaalsContact C-N 3.27Å; F99-T101 PolarHBondContact O-N 3.45Å; F99-R102 WeakPolarHBondContact O-CB 3.32Å; F99-R102 WeakPolarHBondContact O-CG 3Å; F99-R102 PolarHBondContact O-N 3.45Å; F99-L122 HydrophobicContact CE1-CB 4.4Å; F99-L122 HydrophobicContact CZ-CB 4.08Å; F99-L122 HydrophobicContact CZ-CD1 4.43Å; F99-F143 HydrophobicContact CE2-CE1 4.4Å; F99-F143 HydrophobicContact CE2-CZ 4.1Å; F99-F143 HydrophobicContact CZ-CE1 4.49Å; F99-F143 HydrophobicContact CZ-CZ 4.31Å
100	L	95.6	Very high	91.9	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-61.1	-35.2	-176.7	-65.2	173.1	0	0	0	112.5	S96 I97 R102 V103 I106 A111 F114 V119 L125	S96-L100 VanDerWaalsContact O-CG 3.29Å; S96-L100 WeakPolarHBondContact O-CG 3.46Å; S96-L100 PolarHBondContact O-N 3.38Å; I97-L100 PolarHBondContact O-N 2.96Å; L100-R102 PolarHBondContact O-N 3.38Å; L100-R102 VanDerWaalsContact O-N 3.13Å; L100-V103 WeakPolarHBondContact O-CB 3.49Å; L100-V103 PolarHBondContact O-N 2.91Å; L100-V103 VanDerWaalsContact O-N 3.15Å; L100-I106 HydrophobicContact CB-CG2 4.32Å; L100-I106 WeakPolarHBondContact O-CB 3.36Å; L100-A111 HydrophobicContact CB-CB 3.88Å; L100-A111 HydrophobicContact CD1-CB 4.5Å; L100-F114 HydrophobicContact CD1-CB 4.03Å; L100-V119 HydrophobicContact CD2-CG1 4.2Å; L100-L125 HydrophobicContact CD2-CD1 3.59Å; L100-L125 HydrophobicContact CD2-CD2 4.21Å; L100-L125 HydrophobicContact CD2-CG 3.83Å
101	T	95.1	Very high	92.4	Very high	19 Å²	19	33.1 Å²	33.1	12%	0.117	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-4.3	176	62.5	0	0	0	0	114.9	N28 I97 N98 F99 I106 A111	N28-T101 HydrophobicContact CB-CG2 4.23Å; N28-T101 PolarHBondContact ND2-OG1 2.74Å; I97-T101 VanDerWaalsContact O-CG2 3.32Å; I97-T101 WeakPolarHBondContact O-CG2 3.41Å; I97-T101 PolarHBondContact O-N 3.35Å; I97-T101 VanDerWaalsContact O-N 3.1Å; I97-T101 PolarHBondContact O-OG1 3.44Å; N98-T101 PolarHBondContact O-OG1 2.82Å; F99-T101 VanDerWaalsContact C-N 3.27Å; F99-T101 PolarHBondContact O-N 3.45Å; T101-I106 WeakPolarHBondContact CA-O 3.5Å; T101-A111 HydrophobicContact CG2-CB 3.6Å
102	R	95.1	Very high	92.7	Very high	102 Å²	102	35.3 Å²	35.3	39%	0.385	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-28.9	171	-65.9	162.2	63.5	-173.3	-3.3	111.4	F99 L100 T104 F143 E147	F99-R102 WeakPolarHBondContact O-CB 3.32Å; F99-R102 WeakPolarHBondContact O-CG 3Å; F99-R102 PolarHBondContact O-N 3.45Å; L100-R102 PolarHBondContact O-N 3.38Å; L100-R102 VanDerWaalsContact O-N 3.13Å; R102-T104 PolarHBondContact O-N 3.48Å; R102-F143 HydrophobicContact CB-CE2 3.57Å; R102-F143 HydrophobicContact CB-CZ 4.01Å; R102-E147 IonicContact CZ-OE1 3.59Å; R102-E147 IonicContact CZ-OE2 3.07Å; R102-E147 IonicContact NE-OE1 3.52Å; R102-E147 PolarHBondContact NE-OE1 2.95Å; R102-E147 IonicContact NH2-OE1 2.69Å; R102-E147 PolarHBondContact NH2-OE1 3.24Å; R102-E147 IonicContact NH2-OE2 3.39Å; R102-E147 PolarHBondContact NH2-OE2 3.27Å
103	V	97.1	Very high	93.2	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.006	20%	0.204	C	C	.	.	S	Bend	trans	-69.1	120.7	174.2	-176.4	0	0	0	0	109.1	L100 G105 I106 L122 L125 G139 L140 F143	L100-V103 WeakPolarHBondContact O-CB 3.49Å; L100-V103 PolarHBondContact O-N 2.91Å; L100-V103 VanDerWaalsContact O-N 3.15Å; V103-G105 PolarHBondContact O-N 3.38Å; V103-I106 HydrophobicContact CB-CB 4.34Å; V103-I106 HydrophobicContact CB-CD1 3.79Å; V103-I106 HydrophobicContact CB-CG1 4.02Å; V103-I106 HydrophobicContact CG1-CD1 3.88Å; V103-I106 HydrophobicContact CG1-CG1 4.05Å; V103-I106 HydrophobicContact CG2-CD1 4.3Å; V103-I106 WeakPolarHBondContact O-CB 3.23Å; V103-I106 PolarHBondContact O-N 3.09Å; V103-L122 HydrophobicContact CG2-CD1 4.49Å; V103-L125 HydrophobicContact CG2-CD1 3.83Å; V103-G139 VanDerWaalsContact CG1-C 3.49Å; V103-L140 HydrophobicContact CG1-CB 4.42Å; V103-F143 HydrophobicContact CB-CD2 4.37Å; V103-F143 HydrophobicContact CG2-CD2 3.64Å; V103-F143 HydrophobicContact CG2-CE2 3.83Å
104	T	94.8	Very high	93.7	Very high	39 Å²	39	34.9 Å²	34.9	24%	0.239	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	139.1	178.4	-171.4	0	0	0	0	110.5	R102 I106 H135 F146 L228	R102-T104 PolarHBondContact O-N 3.48Å; T104-I106 VanDerWaalsContact C-N 3.31Å; T104-H135 PolarHBondContact OG1-NE2 2.97Å; T104-F146 HydrophobicContact CG2-CD2 3.77Å; T104-F146 HydrophobicContact CG2-CE2 3.71Å; T104-L228 HydrophobicContact CG2-CD1 4.39Å
105	G	95	Very high	94.1	Very high	28 Å²	28	36 Å²	36	29%	0.289	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.2	-14.8	-171.5	0	0	0	0	0	114.5	V103 H135 Q136	V103-G105 PolarHBondContact O-N 3.38Å; G105-H135 PolarHBondContact N-NE2 3.2Å; G105-H135 VanDerWaalsContact N-NE2 3.19Å; G105-Q136 VanDerWaalsContact C-CG 3.5Å; G105-Q136 WeakPolarHBondContact O-CG 3.28Å; G105-Q136 PolarHBondContact O-NE2 2.91Å
106	I	97.3	Very high	94.4	Very high	7 Å²	7	38.3 Å²	38.3	4%	0.036	21%	0.209	C	C	.	.			trans	-96.4	100.3	172.5	-55.8	-171.8	0	0	0	110	L100 T101 V103 T104 A110 A111 F114 L125 Q136	L100-I106 HydrophobicContact CB-CG2 4.32Å; L100-I106 WeakPolarHBondContact O-CB 3.36Å; T101-I106 WeakPolarHBondContact CA-O 3.5Å; V103-I106 HydrophobicContact CB-CB 4.34Å; V103-I106 HydrophobicContact CB-CD1 3.79Å; V103-I106 HydrophobicContact CB-CG1 4.02Å; V103-I106 HydrophobicContact CG1-CD1 3.88Å; V103-I106 HydrophobicContact CG1-CG1 4.05Å; V103-I106 HydrophobicContact CG2-CD1 4.3Å; V103-I106 WeakPolarHBondContact O-CB 3.23Å; V103-I106 PolarHBondContact O-N 3.09Å; T104-I106 VanDerWaalsContact C-N 3.31Å; I106-A110 HydrophobicContact CG2-CB 4.06Å; I106-A111 HydrophobicContact CG2-CB 3.89Å; I106-F114 HydrophobicContact CD1-CD2 4.19Å; I106-F114 HydrophobicContact CD1-CE2 3.89Å; I106-F114 HydrophobicContact CG1-CE2 4.22Å; I106-F114 HydrophobicContact CG2-CD2 4.25Å; I106-F114 HydrophobicContact CG2-CE2 4.32Å; I106-L125 HydrophobicContact CD1-CD1 3.99Å; I106-L125 HydrophobicContact CD1-CD2 3.86Å; I106-Q136 HydrophobicContact CG1-CB 4.33Å; I106-Q136 HydrophobicContact CG1-CG 3.75Å
107	G	94.5	Very high	94.7	Very high	33 Å²	33	41.6 Å²	41.6	34%	0.34	22%	0.222	S	C	.	.			trans	-84.1	173.9	170.9	0	0	0	0	0	113.3	A109 A110 A111	G107-A109 PolarHBondContact O-N 2.98Å; G107-A109 VanDerWaalsContact O-N 3.08Å; G107-A110 PolarHBondContact O-N 2.54Å; G107-A111 PolarHBondContact O-N 2.95Å
108	P	91.8	Very high	94.8	Very high	28 Å²	28	43.7 Å²	43.7	18%	0.182	25%	0.245	C	C	.	.	H	α-helix	trans	-52.2	-35.1	179.3	-29.6	36.9	0	0	0	114.3	R27 N28 R31 R112	R27-P108 WeakPolarHBondContact O-CG 3.4Å; N28-P108 WeakPolarHBondContact O-CB 3.48Å; R31-P108 HydrophobicContact CG-CB 4.12Å; P108-R112 WeakPolarHBondContact O-CB 3.4Å; P108-R112 PolarHBondContact O-N 3.15Å; P108-R112 VanDerWaalsContact O-N 3.09Å
109	A	94.2	Very high	95.2	Very high	53 Å²	53	42.2 Å²	42.2	44%	0.438	24%	0.237	S	C	.	.	H	α-helix	trans	-63	-52.2	176.9	0	0	0	0	0	112.3	G107 R112 K113	G107-A109 PolarHBondContact O-N 2.98Å; G107-A109 VanDerWaalsContact O-N 3.08Å; A109-R112 PolarHBondContact O-N 3.47Å; A109-K113 PolarHBondContact O-N 2.75Å; A109-K113 VanDerWaalsContact O-N 3.07Å
110	A	95.8	Very high	95.2	Very high	21 Å²	21	43.8 Å²	43.8	17%	0.174	24%	0.243	C	C	.	.	H	α-helix	trans	-69.4	-42.5	-177.8	0	0	0	0	0	110.6	I106 G107 R112 K113 F114	I106-A110 HydrophobicContact CG2-CB 4.06Å; G107-A110 PolarHBondContact O-N 2.54Å; A110-R112 VanDerWaalsContact C-N 3.31Å; A110-R112 PolarHBondContact O-N 3.03Å; A110-K113 WeakPolarHBondContact O-CB 3.37Å; A110-K113 PolarHBondContact O-N 3.02Å; A110-F114 HydrophobicContact CB-CD2 4.37Å; A110-F114 HydrophobicContact CB-CE2 4.01Å; A110-F114 WeakPolarHBondContact O-CB 3.2Å; A110-F114 WeakPolarHBondContact O-CD2 3.3Å; A110-F114 VanDerWaalsContact O-CG 3.31Å; A110-F114 WeakPolarHBondContact O-CG 3.48Å; A110-F114 PolarHBondContact O-N 2.64Å
111	A	95.6	Very high	95.1	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-57	-44.1	175.5	0	0	0	0	0	112.1	I97 L100 T101 I106 G107 F114 F115	I97-A111 HydrophobicContact CG2-CB 4.06Å; L100-A111 HydrophobicContact CB-CB 3.88Å; L100-A111 HydrophobicContact CD1-CB 4.5Å; T101-A111 HydrophobicContact CG2-CB 3.6Å; I106-A111 HydrophobicContact CG2-CB 3.89Å; G107-A111 PolarHBondContact O-N 2.95Å; A111-F114 PolarHBondContact O-N 2.89Å; A111-F115 WeakPolarHBondContact O-CB 3.46Å; A111-F115 PolarHBondContact O-N 2.88Å
112	R	94.1	Very high	95.1	Very high	110 Å²	110	46.1 Å²	46.1	42%	0.415	26%	0.257	S	S	.	.	H	α-helix	trans	-63.8	-46.5	175.7	180	61.2	-169.3	-125.1	8.1	111.9	I97 P108 A109 A110 F114 F115 D116	I97-R112 HydrophobicContact CD1-CB 4.31Å; P108-R112 WeakPolarHBondContact O-CB 3.4Å; P108-R112 PolarHBondContact O-N 3.15Å; P108-R112 VanDerWaalsContact O-N 3.09Å; A109-R112 PolarHBondContact O-N 3.47Å; A110-R112 VanDerWaalsContact C-N 3.31Å; A110-R112 PolarHBondContact O-N 3.03Å; R112-F114 PolarHBondContact O-N 2.92Å; R112-F115 WeakPolarHBondContact O-CB 3.32Å; R112-F115 PolarHBondContact O-N 3.14Å; R112-D116 IonicContact CZ-OD1 3.82Å; R112-D116 IonicContact NE-OD1 3.56Å; R112-D116 PolarHBondContact NE-OD1 2.93Å; R112-D116 IonicContact NE-OD2 2.83Å; R112-D116 PolarHBondContact NE-OD2 2.77Å; R112-D116 VanDerWaalsContact NE-OD2 3.15Å; R112-D116 IonicContact NH2-OD1 3.78Å; R112-D116 PolarHBondContact NH2-OD1 3.02Å; R112-D116 VanDerWaalsContact O-CG 3.24Å; R112-D116 PolarHBondContact O-N 3.1Å
113	K	96	Very high	95.1	Very high	127 Å²	127	46.4 Å²	46.4	55%	0.552	26%	0.263	S	S	*	.	H	α-helix	trans	-57	-47.9	176.8	-179	-174.1	171.7	-171.7	0	111.5	A109 A110 D116 E117	A109-K113 PolarHBondContact O-N 2.75Å; A109-K113 VanDerWaalsContact O-N 3.07Å; A110-K113 WeakPolarHBondContact O-CB 3.37Å; A110-K113 PolarHBondContact O-N 3.02Å; K113-D116 PolarHBondContact O-N 2.68Å; K113-E117 WeakPolarHBondContact CE-OE1 3.44Å; K113-E117 WeakPolarHBondContact O-CG 3.5Å; K113-E117 PolarHBondContact O-N 2.56Å
114	F	96.6	Very high	95.1	Very high	9 Å²	9	48 Å²	48	4%	0.039	27%	0.272	C	S	.	.	H	α-helix	trans	-62.7	-42.4	178	-69.4	-41.4	0	0	0	112	L100 I106 A110 A111 R112 D116 E117 G118 V119 L125 I128 L132	L100-F114 HydrophobicContact CD1-CB 4.03Å; I106-F114 HydrophobicContact CD1-CD2 4.19Å; I106-F114 HydrophobicContact CD1-CE2 3.89Å; I106-F114 HydrophobicContact CG1-CE2 4.22Å; I106-F114 HydrophobicContact CG2-CD2 4.25Å; I106-F114 HydrophobicContact CG2-CE2 4.32Å; A110-F114 HydrophobicContact CB-CD2 4.37Å; A110-F114 HydrophobicContact CB-CE2 4.01Å; A110-F114 WeakPolarHBondContact O-CB 3.2Å; A110-F114 WeakPolarHBondContact O-CD2 3.3Å; A110-F114 VanDerWaalsContact O-CG 3.31Å; A110-F114 WeakPolarHBondContact O-CG 3.48Å; A110-F114 PolarHBondContact O-N 2.64Å; A111-F114 PolarHBondContact O-N 2.89Å; R112-F114 PolarHBondContact O-N 2.92Å; F114-D116 PolarHBondContact O-N 2.87Å; F114-E117 CarbonylContact O-C 3.59Å; F114-E117 WeakPolarHBondContact O-CA 3.35Å; F114-E117 WeakPolarHBondContact O-CB 3.34Å; F114-E117 PolarHBondContact O-N 2.8Å; F114-E117 VanDerWaalsContact O-N 3.1Å; F114-G118 PolarHBondContact O-N 2.88Å; F114-V119 HydrophobicContact CB-CB 3.99Å; F114-V119 HydrophobicContact CB-CG1 4.25Å; F114-V119 WeakPolarHBondContact O-CB 3.28Å; F114-V119 PolarHBondContact O-N 3.45Å; F114-L125 HydrophobicContact CD2-CD2 4.31Å; F114-L125 HydrophobicContact CE2-CD2 4.49Å; F114-I128 HydrophobicContact CD1-CD1 3.7Å; F114-I128 HydrophobicContact CE1-CD1 3.75Å; F114-L132 HydrophobicContact CE1-CD2 3.93Å; F114-L132 HydrophobicContact CE2-CD2 3.9Å; F114-L132 HydrophobicContact CZ-CD2 3.37Å
115	F	95.1	Very high	95.2	Very high	25 Å²	25	46.2 Å²	46.2	11%	0.11	26%	0.26	C	S	.	.	H	α-helix	trans	-59.7	-45.3	174.5	179.1	-94.1	0	0	0	112.4	T93 I97 A111 R112 E117 G118 V119 K120	T93-F115 VanDerWaalsContact CA-CZ 3.45Å; T93-F115 HydrophobicContact CG2-CD1 4.01Å; T93-F115 HydrophobicContact CG2-CE1 3.66Å; T93-F115 HydrophobicContact CG2-CZ 4.03Å; T93-F115 WeakPolarHBondContact OG1-CE1 3.47Å; T93-F115 WeakPolarHBondContact OG1-CZ 3.46Å; I97-F115 HydrophobicContact CG1-CB 4.25Å; I97-F115 HydrophobicContact CG1-CG 4.49Å; A111-F115 WeakPolarHBondContact O-CB 3.46Å; A111-F115 PolarHBondContact O-N 2.88Å; R112-F115 WeakPolarHBondContact O-CB 3.32Å; R112-F115 PolarHBondContact O-N 3.14Å; F115-E117 PolarHBondContact O-N 2.76Å; F115-G118 WeakPolarHBondContact O-CA 3.23Å; F115-G118 PolarHBondContact O-N 3.48Å; F115-V119 WeakPolarHBondContact CA-O 3.47Å; F115-K120 HydrophobicContact CD2-CD 4.4Å; F115-K120 HydrophobicContact CD2-CG 3.96Å; F115-K120 HydrophobicContact CE2-CD 3.97Å; F115-K120 VanDerWaalsContact CE2-CE 3.48Å; F115-K120 HydrophobicContact CE2-CG 4.05Å
116	D	94.5	Very high	95.3	Very high	99 Å²	99	50.4 Å²	50.4	53%	0.529	27%	0.271	S	S	.	.	H	α-helix	trans	-64.6	-25	177.4	-63.2	-30.1	0	0	0	111.5	R112 K113 F114 G118	R112-D116 IonicContact CZ-OD1 3.82Å; R112-D116 IonicContact NE-OD1 3.56Å; R112-D116 PolarHBondContact NE-OD1 2.93Å; R112-D116 IonicContact NE-OD2 2.83Å; R112-D116 PolarHBondContact NE-OD2 2.77Å; R112-D116 VanDerWaalsContact NE-OD2 3.15Å; R112-D116 IonicContact NH2-OD1 3.78Å; R112-D116 PolarHBondContact NH2-OD1 3.02Å; R112-D116 VanDerWaalsContact O-CG 3.24Å; R112-D116 PolarHBondContact O-N 3.1Å; K113-D116 PolarHBondContact O-N 2.68Å; F114-D116 PolarHBondContact O-N 2.87Å; D116-G118 VanDerWaalsContact C-N 3.31Å
117	E	95.6	Very high	95.3	Very high	84 Å²	84	57 Å²	57	39%	0.393	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	4.4	170.3	-69.8	-178.4	-145.1	0	0	113.8	K113 F114 F115 K131	K113-E117 WeakPolarHBondContact CE-OE1 3.44Å; K113-E117 WeakPolarHBondContact O-CG 3.5Å; K113-E117 PolarHBondContact O-N 2.56Å; F114-E117 CarbonylContact O-C 3.59Å; F114-E117 WeakPolarHBondContact O-CA 3.35Å; F114-E117 WeakPolarHBondContact O-CB 3.34Å; F114-E117 PolarHBondContact O-N 2.8Å; F114-E117 VanDerWaalsContact O-N 3.1Å; F115-E117 PolarHBondContact O-N 2.76Å; E117-K131 IonicContact OE2-NZ 3.67Å; E117-K131 PolarHBondContact OE2-NZ 2.82Å
118	G	95.4	Very high	95.4	Very high	46 Å²	46	56.4 Å²	56.4	47%	0.474	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.7	5.6	176.8	0	0	0	0	0	115.6	F114 F115 D116	F114-G118 PolarHBondContact O-N 2.88Å; F115-G118 WeakPolarHBondContact O-CA 3.23Å; F115-G118 PolarHBondContact O-N 3.48Å; D116-G118 VanDerWaalsContact C-N 3.31Å
119	V	96.3	Very high	95.5	Very high	7 Å²	7	59.4 Å²	59.4	4%	0.042	30%	0.3	C	S	.	.			trans	-83.6	118.6	178.6	176.5	0	0	0	0	109.3	L100 F114 F115 D124 L125 I128	L100-V119 HydrophobicContact CD2-CG1 4.2Å; F114-V119 HydrophobicContact CB-CB 3.99Å; F114-V119 HydrophobicContact CB-CG1 4.25Å; F114-V119 WeakPolarHBondContact O-CB 3.28Å; F114-V119 PolarHBondContact O-N 3.45Å; F115-V119 WeakPolarHBondContact CA-O 3.47Å; V119-D124 HydrophobicContact CB-CB 4.18Å; V119-D124 HydrophobicContact CG1-CB 3.71Å; V119-D124 HydrophobicContact CG2-CB 4.42Å; V119-L125 HydrophobicContact CG1-CD2 3.82Å; V119-L125 HydrophobicContact CG1-CG 3.86Å; V119-I128 HydrophobicContact CG1-CD1 4.47Å; V119-I128 HydrophobicContact CG2-CD1 3.73Å; V119-I128 HydrophobicContact CG2-CG1 4.11Å; V119-I128 HydrophobicContact CG2-CG2 4.38Å
120	K	93.3	Very high	95.6	Very high	81 Å²	81	63.9 Å²	63.9	35%	0.352	31%	0.311	S	S	.	.			trans	-128.1	-22.6	-176.7	-62.7	-173.3	-174.8	-175.9	0	113.9	S96 F115 D124	S96-K120 WeakPolarHBondContact OG-CB 3.39Å; S96-K120 WeakPolarHBondContact OG-CG 3.49Å; F115-K120 HydrophobicContact CD2-CD 4.4Å; F115-K120 HydrophobicContact CD2-CG 3.96Å; F115-K120 HydrophobicContact CE2-CD 3.97Å; F115-K120 VanDerWaalsContact CE2-CE 3.48Å; F115-K120 HydrophobicContact CE2-CG 4.05Å; K120-D124 PolarHBondContact N-OD2 3.05Å
121	T	94.4	Very high	95.6	Very high	53 Å²	53	68.2 Å²	68.2	33%	0.325	33%	0.326	S	S	.	.	S	Bend	trans	-120.5	175.3	-175.5	82	0	0	0	0	112.7	E123 D124 L125	T121-E123 VanDerWaalsContact C-N 3.32Å; T121-E123 VanDerWaalsContact CB-OE2 3.23Å; T121-E123 WeakPolarHBondContact CB-OE2 3.39Å; T121-E123 PolarHBondContact OG1-N 2.8Å; T121-E123 PolarHBondContact OG1-OE2 3.15Å; T121-D124 PolarHBondContact N-OD2 2.92Å; T121-D124 PolarHBondContact O-N 3.35Å; T121-D124 PolarHBondContact OG1-N 2.92Å; T121-L125 PolarHBondContact O-N 3.23Å
122	L	94.2	Very high	95.7	Very high	16 Å²	16	68.6 Å²	68.6	8%	0.084	33%	0.328	C	S	.	.	H	α-helix	trans	-66.6	-37.5	174.9	-159.8	68.9	0	0	0	111.2	F99 V103 D124 L125 K126 L140 F143	F99-L122 HydrophobicContact CE1-CB 4.4Å; F99-L122 HydrophobicContact CZ-CB 4.08Å; F99-L122 HydrophobicContact CZ-CD1 4.43Å; V103-L122 HydrophobicContact CG2-CD1 4.49Å; L122-D124 VanDerWaalsContact C-N 3.3Å; L122-D124 PolarHBondContact O-N 3.15Å; L122-L125 WeakPolarHBondContact O-CB 3.18Å; L122-L125 PolarHBondContact O-N 3.18Å; L122-K126 WeakPolarHBondContact O-CG 3.24Å; L122-K126 PolarHBondContact O-N 3.31Å; L122-L140 HydrophobicContact CD1-CD1 3.33Å; L122-L140 HydrophobicContact CG-CD1 3.86Å; L122-F143 HydrophobicContact CD1-CB 4.25Å; L122-F143 HydrophobicContact CD1-CD1 3.97Å; L122-F143 HydrophobicContact CD1-CD2 4.43Å; L122-F143 HydrophobicContact CD1-CE1 4.46Å; L122-F143 HydrophobicContact CD1-CG 3.95Å; L122-F143 HydrophobicContact CD2-CD1 4.04Å
123	E	96.2	Very high	95.9	Very high	107 Å²	107	67.2 Å²	67.2	50%	0.5	33%	0.329	S	S	.	.	H	α-helix	trans	-64.1	-37.8	177.2	-61.4	68.2	-147.1	0	0	111	T121 K126 K127	T121-E123 VanDerWaalsContact C-N 3.32Å; T121-E123 VanDerWaalsContact CB-OE2 3.23Å; T121-E123 WeakPolarHBondContact CB-OE2 3.39Å; T121-E123 PolarHBondContact OG1-N 2.8Å; T121-E123 PolarHBondContact OG1-OE2 3.15Å; E123-K126 PolarHBondContact O-N 2.94Å; E123-K127 WeakPolarHBondContact O-CG 3.37Å; E123-K127 PolarHBondContact O-N 3.29Å; E123-K127 VanDerWaalsContact O-N 3.08Å
124	D	97	Very high	96	Very high	36 Å²	36	66.2 Å²	66.2	19%	0.193	33%	0.326	C	S	.	.	H	α-helix	trans	-65.9	-41.3	175	-62.8	-28.3	0	0	0	111.4	V119 K120 T121 L122 K126 K127 I128	V119-D124 HydrophobicContact CB-CB 4.18Å; V119-D124 HydrophobicContact CG1-CB 3.71Å; V119-D124 HydrophobicContact CG2-CB 4.42Å; K120-D124 PolarHBondContact N-OD2 3.05Å; T121-D124 PolarHBondContact N-OD2 2.92Å; T121-D124 PolarHBondContact O-N 3.35Å; T121-D124 PolarHBondContact OG1-N 2.92Å; L122-D124 VanDerWaalsContact C-N 3.3Å; L122-D124 PolarHBondContact O-N 3.15Å; D124-K126 VanDerWaalsContact C-N 3.33Å; D124-K126 PolarHBondContact O-N 2.9Å; D124-K127 PolarHBondContact O-N 3.39Å; D124-K127 IonicContact OD1-NZ 2.82Å; D124-K127 PolarHBondContact OD1-NZ 2.79Å; D124-I128 WeakPolarHBondContact O-CG1 3.41Å; D124-I128 PolarHBondContact O-N 2.95Å
125	L	96.8	Very high	96	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-60.2	-42.1	173.5	-77.4	173.2	0	0	0	111.9	L100 V103 I106 F114 V119 T121 L122 K127 I128 E129 L132 L140	L100-L125 HydrophobicContact CD2-CD1 3.59Å; L100-L125 HydrophobicContact CD2-CD2 4.21Å; L100-L125 HydrophobicContact CD2-CG 3.83Å; V103-L125 HydrophobicContact CG2-CD1 3.83Å; I106-L125 HydrophobicContact CD1-CD1 3.99Å; I106-L125 HydrophobicContact CD1-CD2 3.86Å; F114-L125 HydrophobicContact CD2-CD2 4.31Å; F114-L125 HydrophobicContact CE2-CD2 4.49Å; V119-L125 HydrophobicContact CG1-CD2 3.82Å; V119-L125 HydrophobicContact CG1-CG 3.86Å; T121-L125 PolarHBondContact O-N 3.23Å; L122-L125 WeakPolarHBondContact O-CB 3.18Å; L122-L125 PolarHBondContact O-N 3.18Å; L125-K127 VanDerWaalsContact C-N 3.31Å; L125-K127 PolarHBondContact O-N 3.38Å; L125-I128 HydrophobicContact CD2-CD1 4.43Å; L125-I128 CarbonylContact O-C 3.59Å; L125-I128 WeakPolarHBondContact O-CG1 3.28Å; L125-I128 PolarHBondContact O-N 2.65Å; L125-I128 VanDerWaalsContact O-N 3.14Å; L125-E129 PolarHBondContact O-N 3.24Å; L125-E129 VanDerWaalsContact O-N 3.11Å; L125-L132 HydrophobicContact CD2-CD1 4.45Å; L125-L132 HydrophobicContact CD2-CD2 3.98Å; L125-L140 HydrophobicContact CB-CD1 3.94Å; L125-L140 HydrophobicContact CB-CD2 4.03Å; L125-L140 HydrophobicContact CD1-CD1 4.3Å
126	K	96.1	Very high	96.2	Very high	116 Å²	116	67.3 Å²	67.3	50%	0.504	33%	0.331	S	S	.	.	H	α-helix	trans	-60.7	-38.6	175.6	-71.1	175.3	180	178.5	0	112	L122 E123 D124 I128 E129 L140	L122-K126 WeakPolarHBondContact O-CG 3.24Å; L122-K126 PolarHBondContact O-N 3.31Å; E123-K126 PolarHBondContact O-N 2.94Å; D124-K126 VanDerWaalsContact C-N 3.33Å; D124-K126 PolarHBondContact O-N 2.9Å; K126-I128 VanDerWaalsContact C-N 3.26Å; K126-I128 PolarHBondContact O-N 2.8Å; K126-E129 WeakPolarHBondContact O-CB 3.32Å; K126-E129 PolarHBondContact O-N 3.25Å; K126-L140 HydrophobicContact CG-CD1 4.3Å; K126-L140 HydrophobicContact CG-CD2 4.03Å; K126-L140 HydrophobicContact CG-CG 4.39Å
127	K	97.3	Very high	96.4	Very high	145 Å²	145	65.4 Å²	65.4	63%	0.63	32%	0.319	S	S	*	.	H	α-helix	trans	-66.5	-27.6	176.4	-66.3	166.3	-161.4	158.8	0	113.1	E123 D124 L125	E123-K127 WeakPolarHBondContact O-CG 3.37Å; E123-K127 PolarHBondContact O-N 3.29Å; E123-K127 VanDerWaalsContact O-N 3.08Å; D124-K127 PolarHBondContact O-N 3.39Å; D124-K127 IonicContact OD1-NZ 2.82Å; D124-K127 PolarHBondContact OD1-NZ 2.79Å; L125-K127 VanDerWaalsContact C-N 3.31Å; L125-K127 PolarHBondContact O-N 3.38Å
128	I	96.6	Very high	96.5	Very high	22 Å²	22	61.7 Å²	61.7	11%	0.113	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	23	-179.6	67.7	144.4	0	0	0	113	F114 V119 D124 L125 K126 H130 K131 L132	F114-I128 HydrophobicContact CD1-CD1 3.7Å; F114-I128 HydrophobicContact CE1-CD1 3.75Å; V119-I128 HydrophobicContact CG1-CD1 4.47Å; V119-I128 HydrophobicContact CG2-CD1 3.73Å; V119-I128 HydrophobicContact CG2-CG1 4.11Å; V119-I128 HydrophobicContact CG2-CG2 4.38Å; D124-I128 WeakPolarHBondContact O-CG1 3.41Å; D124-I128 PolarHBondContact O-N 2.95Å; L125-I128 HydrophobicContact CD2-CD1 4.43Å; L125-I128 CarbonylContact O-C 3.59Å; L125-I128 WeakPolarHBondContact O-CG1 3.28Å; L125-I128 PolarHBondContact O-N 2.65Å; L125-I128 VanDerWaalsContact O-N 3.14Å; K126-I128 VanDerWaalsContact C-N 3.26Å; K126-I128 PolarHBondContact O-N 2.8Å; I128-H130 PolarHBondContact O-N 2.92Å; I128-K131 HydrophobicContact CB-CB 4.43Å; I128-K131 HydrophobicContact CB-CD 4.19Å; I128-K131 HydrophobicContact CB-CG 4.38Å; I128-K131 HydrophobicContact CD1-CB 4.39Å; I128-K131 HydrophobicContact CD1-CD 4.43Å; I128-K131 HydrophobicContact CG2-CD 4.47Å; I128-K131 WeakPolarHBondContact O-CA 3.29Å; I128-K131 WeakPolarHBondContact O-CB 3.49Å; I128-K131 PolarHBondContact O-N 3.33Å; I128-L132 HydrophobicContact CD1-CD2 4.17Å
129	E	95.1	Very high	96.6	Very high	91 Å²	91	59.6 Å²	59.6	43%	0.425	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-54.7	-33.2	-175.1	-172.6	172.1	-170.1	0	0	113	L125 K126 K131 L132 Q137	L125-E129 PolarHBondContact O-N 3.24Å; L125-E129 VanDerWaalsContact O-N 3.11Å; K126-E129 WeakPolarHBondContact O-CB 3.32Å; K126-E129 PolarHBondContact O-N 3.25Å; E129-K131 PolarHBondContact O-N 3.35Å; E129-L132 WeakPolarHBondContact O-CB 3.49Å; E129-L132 PolarHBondContact O-N 3.18Å; E129-L132 VanDerWaalsContact O-N 3.07Å; E129-Q137 HydrophobicContact CG-CG 4.09Å; E129-Q137 PolarHBondContact O-NE2 3.07Å
130	H	95.3	Very high	96.7	Very high	147 Å²	147	59.7 Å²	59.7	68%	0.681	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-64.3	-19	174.2	66.4	-83.6	0	0	0	114.8	I128	I128-H130 PolarHBondContact O-N 2.92Å
131	K	95.9	Very high	96.9	Very high	111 Å²	111	61.4 Å²	61.4	48%	0.483	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-90.2	-13.4	174.1	-63.2	-172.8	174.6	178.2	0	112.8	E117 I128 E129	E117-K131 IonicContact OE2-NZ 3.67Å; E117-K131 PolarHBondContact OE2-NZ 2.82Å; I128-K131 HydrophobicContact CB-CB 4.43Å; I128-K131 HydrophobicContact CB-CD 4.19Å; I128-K131 HydrophobicContact CB-CG 4.38Å; I128-K131 HydrophobicContact CD1-CB 4.39Å; I128-K131 HydrophobicContact CD1-CD 4.43Å; I128-K131 HydrophobicContact CG2-CD 4.47Å; I128-K131 WeakPolarHBondContact O-CA 3.29Å; I128-K131 WeakPolarHBondContact O-CB 3.49Å; I128-K131 PolarHBondContact O-N 3.33Å; E129-K131 PolarHBondContact O-N 3.35Å
132	L	97.6	Very high	97.1	Very high	9 Å²	9	59.6 Å²	59.6	5%	0.047	28%	0.275	C	S	.	.	S	Bend	trans	-78.9	143.9	179.5	-57	-173.5	0	0	0	109.3	F114 L125 I128 E129 Q136 Q137 L140	F114-L132 HydrophobicContact CE1-CD2 3.93Å; F114-L132 HydrophobicContact CE2-CD2 3.9Å; F114-L132 HydrophobicContact CZ-CD2 3.37Å; L125-L132 HydrophobicContact CD2-CD1 4.45Å; L125-L132 HydrophobicContact CD2-CD2 3.98Å; I128-L132 HydrophobicContact CD1-CD2 4.17Å; E129-L132 WeakPolarHBondContact O-CB 3.49Å; E129-L132 PolarHBondContact O-N 3.18Å; E129-L132 VanDerWaalsContact O-N 3.07Å; L132-Q136 HydrophobicContact CB-CB 3.85Å; L132-Q136 HydrophobicContact CD1-CB 4.47Å; L132-Q136 HydrophobicContact CD2-CB 4.44Å; L132-Q136 HydrophobicContact CG-CB 4.47Å; L132-Q137 HydrophobicContact CB-CG 3.71Å; L132-Q137 PolarHBondContact O-NE2 3.47Å; L132-L140 HydrophobicContact CD1-CB 4.42Å; L132-L140 HydrophobicContact CD1-CD2 3.72Å
133	N	97.9	Very high	97.2	Very high	80 Å²	80	59.5 Å²	59.5	43%	0.428	27%	0.274	S	S	.	.			trans	-75.4	166.6	168.5	68.9	41.9	0	0	0	110.7	H135 Q136 Q137	N133-H135 VanDerWaalsContact C-N 3.32Å; N133-H135 PolarHBondContact O-N 2.82Å; N133-H135 PolarHBondContact OD1-N 2.87Å; N133-Q136 VanDerWaalsContact N-OE1 3.16Å; N133-Q136 PolarHBondContact ND2-NE2 3.22Å; N133-Q136 WeakPolarHBondContact O-CA 3.46Å; N133-Q136 WeakPolarHBondContact O-CB 3.27Å; N133-Q136 PolarHBondContact O-N 3.04Å; N133-Q136 VanDerWaalsContact OD1-CG 3.29Å; N133-Q136 WeakPolarHBondContact OD1-CG 3.48Å; N133-Q136 PolarHBondContact OD1-N 3.36Å; N133-Q137 WeakPolarHBondContact O-CG 3.46Å; N133-Q137 PolarHBondContact O-N 3Å
134	H	98	Very high	97.3	Very high	107 Å²	107	60.8 Å²	60.8	50%	0.495	28%	0.28	S	S	.	.	H	α-helix	trans	-49.6	-46.8	-177.9	-176.8	68.1	0	0	0	114.2	Q136 Q137 I138 T227	H134-Q136 PolarHBondContact O-N 3.42Å; H134-Q137 PolarHBondContact O-N 2.8Å; H134-I138 WeakPolarHBondContact NE2-CD1 3.31Å; H134-I138 PolarHBondContact O-N 2.81Å; H134-I138 VanDerWaalsContact O-N 3.11Å; H134-T227 PolarHBondContact CD2-O 3.5Å; H134-T227 VanDerWaalsContact CD2-O 3.29Å; H134-T227 PolarHBondContact NE2-O 3.04Å
135	H	98.3	Very high	97.3	Very high	43 Å²	43	61.1 Å²	61.1	20%	0.199	28%	0.281	C	S	.	.	H	α-helix	trans	-61.2	-45.7	177.3	-177.5	173.1	0	0	0	110.9	T104 G105 N133 Q137 I138 G139 L228	T104-H135 PolarHBondContact OG1-NE2 2.97Å; G105-H135 PolarHBondContact N-NE2 3.2Å; G105-H135 VanDerWaalsContact N-NE2 3.19Å; N133-H135 VanDerWaalsContact C-N 3.32Å; N133-H135 PolarHBondContact O-N 2.82Å; N133-H135 PolarHBondContact OD1-N 2.87Å; H135-Q137 VanDerWaalsContact C-N 3.33Å; H135-Q137 PolarHBondContact O-N 2.84Å; H135-I138 PolarHBondContact O-N 3.44Å; H135-G139 PolarHBondContact O-N 3.1Å; H135-L228 WeakPolarHBondContact NE2-CD1 3.35Å
136	Q	98.2	Very high	97.3	Very high	13 Å²	13	63.1 Å²	63.1	6%	0.061	29%	0.29	C	S	.	.	H	α-helix	trans	-64.8	-35.8	178.9	-68.5	167.8	-9.6	0	0	112.7	G105 I106 L132 N133 H134 G139 L140	G105-Q136 VanDerWaalsContact C-CG 3.5Å; G105-Q136 WeakPolarHBondContact O-CG 3.28Å; G105-Q136 PolarHBondContact O-NE2 2.91Å; I106-Q136 HydrophobicContact CG1-CB 4.33Å; I106-Q136 HydrophobicContact CG1-CG 3.75Å; L132-Q136 HydrophobicContact CB-CB 3.85Å; L132-Q136 HydrophobicContact CD1-CB 4.47Å; L132-Q136 HydrophobicContact CD2-CB 4.44Å; L132-Q136 HydrophobicContact CG-CB 4.47Å; N133-Q136 VanDerWaalsContact N-OE1 3.16Å; N133-Q136 PolarHBondContact ND2-NE2 3.22Å; N133-Q136 WeakPolarHBondContact O-CA 3.46Å; N133-Q136 WeakPolarHBondContact O-CB 3.27Å; N133-Q136 PolarHBondContact O-N 3.04Å; N133-Q136 VanDerWaalsContact OD1-CG 3.29Å; N133-Q136 WeakPolarHBondContact OD1-CG 3.48Å; N133-Q136 PolarHBondContact OD1-N 3.36Å; H134-Q136 PolarHBondContact O-N 3.42Å; Q136-G139 PolarHBondContact O-N 3.4Å; Q136-L140 WeakPolarHBondContact O-CB 3.36Å; Q136-L140 PolarHBondContact O-N 2.97Å
137	Q	98.4	Very high	97.2	Very high	60 Å²	60	60.7 Å²	60.7	28%	0.28	28%	0.28	S	S	.	.	H	α-helix	trans	-63.7	-49.2	175.7	-69.6	174.3	-26.8	0	0	111.1	E129 L132 N133 H134 H135 G139 L140 K141	E129-Q137 HydrophobicContact CG-CG 4.09Å; E129-Q137 PolarHBondContact O-NE2 3.07Å; L132-Q137 HydrophobicContact CB-CG 3.71Å; L132-Q137 PolarHBondContact O-NE2 3.47Å; N133-Q137 WeakPolarHBondContact O-CG 3.46Å; N133-Q137 PolarHBondContact O-N 3Å; H134-Q137 PolarHBondContact O-N 2.8Å; H135-Q137 VanDerWaalsContact C-N 3.33Å; H135-Q137 PolarHBondContact O-N 2.84Å; Q137-G139 VanDerWaalsContact C-N 3.3Å; Q137-G139 PolarHBondContact O-N 2.87Å; Q137-L140 WeakPolarHBondContact O-CB 3.23Å; Q137-L140 PolarHBondContact O-N 2.9Å; Q137-L140 VanDerWaalsContact O-N 3.17Å; Q137-K141 WeakPolarHBondContact O-CB 3.43Å; Q137-K141 PolarHBondContact O-N 3.37Å
138	I	98.3	Very high	97.1	Very high	6 Å²	6	59 Å²	59	3%	0.031	27%	0.272	C	S	.	.	H	α-helix	trans	-64	-39.2	175.3	-64.5	166.9	0	0	0	110.9	H134 H135 L140 K141 Y142 D226 T227 L228 V238	H134-I138 WeakPolarHBondContact NE2-CD1 3.31Å; H134-I138 PolarHBondContact O-N 2.81Å; H134-I138 VanDerWaalsContact O-N 3.11Å; H135-I138 PolarHBondContact O-N 3.44Å; I138-L140 PolarHBondContact O-N 3.04Å; I138-K141 WeakPolarHBondContact O-CB 3.36Å; I138-K141 PolarHBondContact O-N 2.94Å; I138-Y142 HydrophobicContact CG2-CD2 3.65Å; I138-Y142 HydrophobicContact CG2-CE2 3.91Å; I138-Y142 PolarHBondContact O-N 3.22Å; I138-D226 HydrophobicContact CD1-CB 3.89Å; I138-D226 HydrophobicContact CG1-CB 4.36Å; I138-D226 HydrophobicContact CG2-CB 4.13Å; I138-T227 WeakPolarHBondContact CD1-O 3.17Å; I138-L228 HydrophobicContact CB-CD2 3.53Å; I138-L228 HydrophobicContact CD1-CD2 3.77Å; I138-L228 HydrophobicContact CG1-CD2 4.26Å; I138-L228 HydrophobicContact CG2-CD2 3.41Å; I138-L228 VanDerWaalsContact CG2-CD2 3.41Å; I138-V238 HydrophobicContact CG2-CG2 3.78Å
139	G	97.6	Very high	97.2	Very high	1 Å²	1	61.4 Å²	61.4	1%	0.01	28%	0.28	C	S	.	.	H	α-helix	trans	-63	-31.9	176.1	0	0	0	0	0	113.6	V103 H135 Q136 Q137 F143	V103-G139 VanDerWaalsContact CG1-C 3.49Å; H135-G139 PolarHBondContact O-N 3.1Å; Q136-G139 PolarHBondContact O-N 3.4Å; Q137-G139 VanDerWaalsContact C-N 3.3Å; Q137-G139 PolarHBondContact O-N 2.87Å; G139-F143 WeakPolarHBondContact O-CA 3.41Å; G139-F143 PolarHBondContact O-N 3.03Å
140	L	97.9	Very high	97.3	Very high	9 Å²	9	57.1 Å²	57.1	5%	0.047	26%	0.26	C	S	.	.	H	α-helix	trans	-74.4	-44.6	173.1	177.8	61.8	0	0	0	111.2	V103 L122 L125 K126 L132 Q136 Q137 I138 Y142 F143	V103-L140 HydrophobicContact CG1-CB 4.42Å; L122-L140 HydrophobicContact CD1-CD1 3.33Å; L122-L140 HydrophobicContact CG-CD1 3.86Å; L125-L140 HydrophobicContact CB-CD1 3.94Å; L125-L140 HydrophobicContact CB-CD2 4.03Å; L125-L140 HydrophobicContact CD1-CD1 4.3Å; K126-L140 HydrophobicContact CG-CD1 4.3Å; K126-L140 HydrophobicContact CG-CD2 4.03Å; K126-L140 HydrophobicContact CG-CG 4.39Å; L132-L140 HydrophobicContact CD1-CB 4.42Å; L132-L140 HydrophobicContact CD1-CD2 3.72Å; Q136-L140 WeakPolarHBondContact O-CB 3.36Å; Q136-L140 PolarHBondContact O-N 2.97Å; Q137-L140 WeakPolarHBondContact O-CB 3.23Å; Q137-L140 PolarHBondContact O-N 2.9Å; Q137-L140 VanDerWaalsContact O-N 3.17Å; I138-L140 PolarHBondContact O-N 3.04Å; L140-Y142 VanDerWaalsContact C-N 3.3Å; L140-Y142 PolarHBondContact O-N 3.45Å; L140-F143 PolarHBondContact O-N 2.76Å
141	K	98.1	Very high	97.4	Very high	118 Å²	118	52.8 Å²	52.8	51%	0.513	25%	0.245	S	C	.	.	H	α-helix	trans	-52.4	-46.9	177.6	-177.6	-174.7	178.2	-159.2	0	111.6	Q137 I138 D226	Q137-K141 WeakPolarHBondContact O-CB 3.43Å; Q137-K141 PolarHBondContact O-N 3.37Å; I138-K141 WeakPolarHBondContact O-CB 3.36Å; I138-K141 PolarHBondContact O-N 2.94Å; K141-D226 IonicContact NZ-OD1 2.7Å; K141-D226 PolarHBondContact NZ-OD1 3.26Å; K141-D226 IonicContact NZ-OD2 3.78Å; K141-D226 PolarHBondContact NZ-OD2 2.86Å; K141-D226 VanDerWaalsContact NZ-OD2 3.13Å
142	Y	97.9	Very high	97.5	Very high	14 Å²	14	51 Å²	51	6%	0.055	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107	22.7	-175.1	-60.8	-61	0	0	0	114.4	I138 L140 E144 E145 F146 D226 V238 H253	I138-Y142 HydrophobicContact CG2-CD2 3.65Å; I138-Y142 HydrophobicContact CG2-CE2 3.91Å; I138-Y142 PolarHBondContact O-N 3.22Å; L140-Y142 VanDerWaalsContact C-N 3.3Å; L140-Y142 PolarHBondContact O-N 3.45Å; Y142-E144 VanDerWaalsContact C-N 3.34Å; Y142-E144 PolarHBondContact O-N 3.34Å; Y142-E145 PolarHBondContact O-N 3.44Å; Y142-F146 VanDerWaalsContact CB-CZ 3.41Å; Y142-F146 HydrophobicContact CD2-CE1 4.28Å; Y142-F146 HydrophobicContact CD2-CE2 4.44Å; Y142-F146 AromaticContact CD2-CZ 3.77Å; Y142-F146 HydrophobicContact CD2-CZ 3.77Å; Y142-F146 HydrophobicContact CG-CE1 4.06Å; Y142-F146 AromaticContact CG-CZ 3.92Å; Y142-F146 HydrophobicContact CG-CZ 3.92Å; Y142-F146 WeakPolarHBondContact O-CB 3.36Å; Y142-F146 WeakPolarHBondContact O-CG 3.06Å; Y142-F146 PolarHBondContact O-N 2.72Å; Y142-D226 HydrophobicContact CE2-CB 4.47Å; Y142-D226 VanDerWaalsContact CE2-OD2 3.27Å; Y142-D226 WeakPolarHBondContact CE2-OD2 3.33Å; Y142-D226 PolarHBondContact OH-OD2 3.03Å; Y142-V238 HydrophobicContact CD2-CG1 4.26Å; Y142-V238 HydrophobicContact CD2-CG2 4.25Å; Y142-V238 HydrophobicContact CE2-CG1 4.11Å; Y142-V238 HydrophobicContact CE2-CG2 4.3Å; Y142-H253 HydrophobicContact CD1-CB 3.67Å; Y142-H253 AromaticContact CD1-CG 3.7Å; Y142-H253 HydrophobicContact CE1-CB 3.75Å; Y142-H253 AromaticContact CE1-CD2 3.33Å; Y142-H253 WeakPolarHBondContact CE1-CD2 3.48Å; Y142-H253 AromaticContact CE1-CE1 3.69Å; Y142-H253 AromaticContact CE1-CG 3.23Å; Y142-H253 AromaticContact CE1-ND1 3.45Å; Y142-H253 WeakPolarHBondContact CE1-ND1 3.35Å; Y142-H253 AromaticContact CE1-NE2 3.59Å; Y142-H253 HydrophobicContact CG-CB 4.18Å; Y142-H253 AromaticContact CZ-CD2 3.28Å; Y142-H253 AromaticContact CZ-CG 3.7Å; Y142-H253 AromaticContact CZ-NE2 3.58Å; Y142-H253 PolarHBondContact OH-CD2 2.69Å; Y142-H253 PolarHBondContact OH-NE2 3.38Å
143	F	97.5	Very high	97.5	Very high	15 Å²	15	54.6 Å²	54.6	7%	0.066	26%	0.261	C	S	.	.	H	α-helix	trans	-51.4	-50.4	-173.3	176.6	-104.5	0	0	0	113	F99 R102 V103 L122 G139 L140	F99-F143 HydrophobicContact CE2-CE1 4.4Å; F99-F143 HydrophobicContact CE2-CZ 4.1Å; F99-F143 HydrophobicContact CZ-CE1 4.49Å; F99-F143 HydrophobicContact CZ-CZ 4.31Å; R102-F143 HydrophobicContact CB-CE2 3.57Å; R102-F143 HydrophobicContact CB-CZ 4.01Å; V103-F143 HydrophobicContact CB-CD2 4.37Å; V103-F143 HydrophobicContact CG2-CD2 3.64Å; V103-F143 HydrophobicContact CG2-CE2 3.83Å; L122-F143 HydrophobicContact CD1-CB 4.25Å; L122-F143 HydrophobicContact CD1-CD1 3.97Å; L122-F143 HydrophobicContact CD1-CD2 4.43Å; L122-F143 HydrophobicContact CD1-CE1 4.46Å; L122-F143 HydrophobicContact CD1-CG 3.95Å; L122-F143 HydrophobicContact CD2-CD1 4.04Å; G139-F143 WeakPolarHBondContact O-CA 3.41Å; G139-F143 PolarHBondContact O-N 3.03Å; L140-F143 PolarHBondContact O-N 2.76Å
144	E	96.6	Very high	97.4	Very high	133 Å²	133	51.5 Å²	51.5	62%	0.621	24%	0.244	S	C	*	.	H	α-helix	trans	-70.5	-36.3	-177.4	-62.1	-177	-176.8	0	0	112.6	Y142 E147	Y142-E144 VanDerWaalsContact C-N 3.34Å; Y142-E144 PolarHBondContact O-N 3.34Å; E144-E147 PolarHBondContact O-N 3.12Å
145	E	97.5	Very high	97.4	Very high	44 Å²	44	46.4 Å²	46.4	21%	0.206	22%	0.221	C	C	.	.	H	α-helix	trans	-70.5	-40.4	-179.4	-61.5	-169.8	-118.3	0	0	111.8	Y142 E147 K148 L252 H253	Y142-E145 PolarHBondContact O-N 3.44Å; E145-E147 PolarHBondContact O-N 3.1Å; E145-K148 WeakPolarHBondContact O-CB 3.21Å; E145-K148 PolarHBondContact O-N 2.96Å; E145-K148 VanDerWaalsContact O-N 3.08Å; E145-L252 HydrophobicContact CB-CB 4.47Å; E145-L252 HydrophobicContact CG-CD2 4.2Å; E145-L252 VanDerWaalsContact OE2-CA 3.22Å; E145-L252 WeakPolarHBondContact OE2-CA 3.33Å; E145-L252 WeakPolarHBondContact OE2-CB 3.41Å; E145-H253 IonicContact OE1-ND1 3.02Å; E145-H253 IonicContact OE2-CG 3.54Å; E145-H253 PolarHBondContact OE2-N 2.9Å; E145-H253 IonicContact OE2-ND1 2.75Å; E145-H253 PolarHBondContact OE2-ND1 3.44Å
146	F	97.4	Very high	97.4	Very high	42 Å²	42	47.1 Å²	47.1	18%	0.184	23%	0.228	C	C	.	.	H	α-helix	trans	-68.4	-14.1	177.5	-68.7	-7.8	0	0	0	113.9	T104 Y142 V238 R255	T104-F146 HydrophobicContact CG2-CD2 3.77Å; T104-F146 HydrophobicContact CG2-CE2 3.71Å; Y142-F146 VanDerWaalsContact CB-CZ 3.41Å; Y142-F146 HydrophobicContact CD2-CE1 4.28Å; Y142-F146 HydrophobicContact CD2-CE2 4.44Å; Y142-F146 AromaticContact CD2-CZ 3.77Å; Y142-F146 HydrophobicContact CD2-CZ 3.77Å; Y142-F146 HydrophobicContact CG-CE1 4.06Å; Y142-F146 AromaticContact CG-CZ 3.92Å; Y142-F146 HydrophobicContact CG-CZ 3.92Å; Y142-F146 WeakPolarHBondContact O-CB 3.36Å; Y142-F146 WeakPolarHBondContact O-CG 3.06Å; Y142-F146 PolarHBondContact O-N 2.72Å; F146-V238 HydrophobicContact CE1-CG1 4.02Å; F146-V238 HydrophobicContact CE1-CG2 4.31Å; F146-V238 HydrophobicContact CZ-CG1 4.15Å; F146-V238 HydrophobicContact CZ-CG2 3.65Å; F146-R255 HydrophobicContact CD1-CG 3.82Å; F146-R255 HydrophobicContact CD2-CG 4.01Å; F146-R255 HydrophobicContact CE1-CG 3.83Å; F146-R255 HydrophobicContact CE2-CG 4.03Å; F146-R255 HydrophobicContact CG-CG 3.92Å; F146-R255 HydrophobicContact CZ-CG 3.94Å
147	E	93.4	Very high	97.4	Very high	64 Å²	64	51.6 Å²	51.6	30%	0.299	25%	0.247	S	C	.	.	H	α-helix	trans	-86.3	-17	172.9	-69.5	-161.3	143.3	0	0	113.6	R102 E144 E145	R102-E147 IonicContact CZ-OE1 3.59Å; R102-E147 IonicContact CZ-OE2 3.07Å; R102-E147 IonicContact NE-OE1 3.52Å; R102-E147 PolarHBondContact NE-OE1 2.95Å; R102-E147 IonicContact NH2-OE1 2.69Å; R102-E147 PolarHBondContact NH2-OE1 3.24Å; R102-E147 IonicContact NH2-OE2 3.39Å; R102-E147 PolarHBondContact NH2-OE2 3.27Å; E144-E147 PolarHBondContact O-N 3.12Å; E145-E147 PolarHBondContact O-N 3.1Å
148	K	96.6	Very high	97.4	Very high	110 Å²	110	48.7 Å²	48.7	48%	0.478	23%	0.234	S	C	.	.	S	Bend	trans	-82	132.9	178.3	-66.6	174.1	179.8	176.2	0	109.9	E145 L252 R254	E145-K148 WeakPolarHBondContact O-CB 3.21Å; E145-K148 PolarHBondContact O-N 2.96Å; E145-K148 VanDerWaalsContact O-N 3.08Å; K148-L252 HydrophobicContact CB-CD1 4.02Å; K148-L252 HydrophobicContact CD-CD1 3.29Å; K148-L252 HydrophobicContact CG-CD1 4.3Å; K148-R254 PolarHBondContact O-NH1 3.05Å
149	R	97	Very high	97.4	Very high	73 Å²	73	50.7 Å²	50.7	28%	0.275	24%	0.243	S	C	.	.			trans	-71.3	155.8	175.6	-58.9	-155.7	66.4	74.9	0.2	111	R4 S187 S188 G189	R4-R149 PolarHBondContact O-NH1 2.77Å; R149-S187 WeakPolarHBondContact CD-OG 3.35Å; R149-S187 PolarHBondContact NE-OG 2.86Å; R149-S187 PolarHBondContact NH2-O 3.08Å; R149-S188 WeakPolarHBondContact CA-O 3.45Å; R149-S188 PolarHBondContact NH2-O 3.07Å; R149-G189 VanDerWaalsContact NH2-N 3.12Å
150	I	97.6	Very high	97.4	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	114	177.6	-47	178.6	0	0	0	108	E154 M155 M158 S187 S188 R254	I150-E154 HydrophobicContact CG2-CB 3.93Å; I150-E154 HydrophobicContact CG2-CG 4Å; I150-M155 HydrophobicContact CB-CG 4.25Å; I150-M155 HydrophobicContact CB-SD 4.11Å; I150-M155 HydrophobicContact CD1-SD 4.05Å; I150-M155 HydrophobicContact CG2-CG 3.75Å; I150-M155 HydrophobicContact CG2-SD 3.72Å; I150-M158 HydrophobicContact CD1-CE 4.28Å; I150-M158 HydrophobicContact CG2-CE 3.66Å; I150-S187 CarbonylContact O-C 3.39Å; I150-S187 WeakPolarHBondContact O-CA 3.29Å; I150-S187 VanDerWaalsContact O-CB 3.28Å; I150-S187 WeakPolarHBondContact O-CB 3.3Å; I150-S188 PolarHBondContact N-O 2.94Å; I150-S188 PolarHBondContact O-N 2.82Å; I150-R254 HydrophobicContact CD1-CB 3.81Å; I150-R254 HydrophobicContact CD1-CG 3.82Å; I150-R254 HydrophobicContact CG1-CG 4.18Å
151	P	97.7	Very high	97.4	Very high	57 Å²	57	55.5 Å²	55.5	37%	0.37	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	146.7	174.2	-23.6	34.7	0	0	0	111.6	S153 E154 M155	P151-S153 PolarHBondContact O-N 3.18Å; P151-E154 WeakPolarHBondContact CD-OE2 3.35Å; P151-E154 WeakPolarHBondContact O-CB 3.39Å; P151-E154 PolarHBondContact O-N 3.47Å; P151-M155 PolarHBondContact O-N 3.05Å
152	R	97.9	Very high	97.4	Very high	73 Å²	73	49.9 Å²	49.9	28%	0.275	25%	0.246	S	C	.	.	H	α-helix	trans	-57.7	-34.2	178.8	-171.5	174.3	-173.1	75.8	10.4	112.7	E154 M155 T156 Y181 A185 E186	R152-E154 VanDerWaalsContact C-N 3.35Å; R152-E154 PolarHBondContact O-N 3.3Å; R152-M155 WeakPolarHBondContact O-CB 3.48Å; R152-M155 PolarHBondContact O-N 2.92Å; R152-T156 PolarHBondContact O-N 3.49Å; R152-T156 PolarHBondContact O-OG1 3.26Å; R152-T156 VanDerWaalsContact O-OG1 3.11Å; R152-Y181 HydrophobicContact CG-CD2 4.35Å; R152-Y181 HydrophobicContact CG-CE2 3.99Å; R152-Y181 PolarHBondContact NH1-O 3.35Å; R152-Y181 PolarHBondContact NH2-O 2.94Å; R152-A185 WeakPolarHBondContact CD-O 3.28Å; R152-A185 PolarHBondContact NH1-O 2.96Å; R152-E186 VanDerWaalsContact CB-O 3.29Å; R152-E186 WeakPolarHBondContact CB-O 3.14Å; R152-E186 PolarHBondContact N-O 3.04Å
153	S	96.9	Very high	97.4	Very high	84 Å²	84	52.6 Å²	52.6	59%	0.587	26%	0.262	S	S	*	.	H	α-helix	trans	-61	-40.5	174.8	51.7	0	0	0	0	112.8	P151 T156 K157	P151-S153 PolarHBondContact O-N 3.18Å; S153-T156 PolarHBondContact O-N 2.84Å; S153-K157 WeakPolarHBondContact O-CG 3.41Å; S153-K157 PolarHBondContact O-N 2.77Å
154	E	96.9	Very high	97.5	Very high	15 Å²	15	57.2 Å²	57.2	7%	0.07	28%	0.283	C	S	.	.	H	α-helix	trans	-68.4	-41.6	174.4	-170.2	-173.7	145.7	0	0	110.9	I150 P151 R152 T156 K157 M158 L241 Y251 R254	I150-E154 HydrophobicContact CG2-CB 3.93Å; I150-E154 HydrophobicContact CG2-CG 4Å; P151-E154 WeakPolarHBondContact CD-OE2 3.35Å; P151-E154 WeakPolarHBondContact O-CB 3.39Å; P151-E154 PolarHBondContact O-N 3.47Å; R152-E154 VanDerWaalsContact C-N 3.35Å; R152-E154 PolarHBondContact O-N 3.3Å; E154-T156 VanDerWaalsContact C-N 3.31Å; E154-T156 PolarHBondContact O-N 2.92Å; E154-K157 WeakPolarHBondContact O-CB 3.5Å; E154-K157 PolarHBondContact O-N 3.09Å; E154-M158 HydrophobicContact CG-CE 4.44Å; E154-M158 PolarHBondContact O-N 2.78Å; E154-L241 HydrophobicContact CG-CD1 3.89Å; E154-Y251 HydrophobicContact CG-CD1 4.04Å; E154-Y251 HydrophobicContact CG-CE1 4.19Å; E154-R254 IonicContact OE1-CZ 3.13Å; E154-R254 IonicContact OE1-NE 3.97Å; E154-R254 PolarHBondContact OE1-NE 3.29Å; E154-R254 IonicContact OE1-NH2 2.94Å; E154-R254 PolarHBondContact OE1-NH2 3.22Å; E154-R254 IonicContact OE2-CZ 3.82Å; E154-R254 IonicContact OE2-NE 2.77Å; E154-R254 IonicContact OE2-NH2 3.24Å; E154-R254 PolarHBondContact OE2-NH2 3.11Å
155	M	98.3	Very high	97.6	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-58	-41.2	173.3	-70.2	-66.2	-65.4	0	0	112.7	I150 P151 R152 M158 E159 I177 Y181 I191	I150-M155 HydrophobicContact CB-CG 4.25Å; I150-M155 HydrophobicContact CB-SD 4.11Å; I150-M155 HydrophobicContact CD1-SD 4.05Å; I150-M155 HydrophobicContact CG2-CG 3.75Å; I150-M155 HydrophobicContact CG2-SD 3.72Å; P151-M155 PolarHBondContact O-N 3.05Å; R152-M155 WeakPolarHBondContact O-CB 3.48Å; R152-M155 PolarHBondContact O-N 2.92Å; M155-M158 HydrophobicContact CG-CE 4.33Å; M155-M158 PolarHBondContact O-N 3.09Å; M155-M158 HydrophobicContact SD-CE 3.43Å; M155-M158 WeakPolarHBondContact SD-CE 3.44Å; M155-E159 WeakPolarHBondContact O-CB 3.46Å; M155-E159 PolarHBondContact O-N 3.45Å; M155-I177 HydrophobicContact CE-CG2 4.09Å; M155-Y181 HydrophobicContact CB-CD2 3.48Å; M155-Y181 VanDerWaalsContact CB-CD2 3.48Å; M155-Y181 HydrophobicContact CB-CE2 3.57Å; M155-Y181 HydrophobicContact CB-CG 4.38Å; M155-Y181 HydrophobicContact CE-CD2 4.23Å; M155-Y181 HydrophobicContact CE-CG 4.04Å; M155-Y181 HydrophobicContact CG-CD2 4.06Å; M155-I191 HydrophobicContact CE-CB 3.88Å; M155-I191 HydrophobicContact CE-CD1 4.07Å; M155-I191 HydrophobicContact CE-CG1 3.9Å; M155-I191 HydrophobicContact SD-CB 4.28Å
156	T	98.1	Very high	97.6	Very high	58 Å²	58	50.6 Å²	50.6	36%	0.356	25%	0.253	S	S	.	.	H	α-helix	trans	-66.8	-36.1	177.4	-60.3	0	0	0	0	112.3	R152 S153 E154 T160 Y181	R152-T156 PolarHBondContact O-N 3.49Å; R152-T156 PolarHBondContact O-OG1 3.26Å; R152-T156 VanDerWaalsContact O-OG1 3.11Å; S153-T156 PolarHBondContact O-N 2.84Å; E154-T156 VanDerWaalsContact C-N 3.31Å; E154-T156 PolarHBondContact O-N 2.92Å; T156-T160 PolarHBondContact O-N 3.48Å; T156-T160 PolarHBondContact O-OG1 3.2Å; T156-Y181 PolarHBondContact OG1-OH 3.37Å; T156-Y181 VanDerWaalsContact OG1-OH 3.07Å
157	K	97.4	Very high	97.6	Very high	106 Å²	106	54.7 Å²	54.7	46%	0.461	27%	0.272	S	S	.	.	H	α-helix	trans	-63.5	-46	171.9	-68.6	-179.7	-173.5	-173.1	0	111.2	S153 E154 T160 L161 L241 Y251	S153-K157 WeakPolarHBondContact O-CG 3.41Å; S153-K157 PolarHBondContact O-N 2.77Å; E154-K157 WeakPolarHBondContact O-CB 3.5Å; E154-K157 PolarHBondContact O-N 3.09Å; K157-T160 PolarHBondContact O-N 2.9Å; K157-L161 PolarHBondContact O-N 3.37Å; K157-L161 VanDerWaalsContact O-N 3.09Å; K157-L241 HydrophobicContact CB-CD1 3.76Å; K157-L241 HydrophobicContact CD-CD1 4.37Å; K157-Y251 PolarHBondContact NZ-OH 3.39Å
158	M	98.3	Very high	97.8	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-62.2	-44.9	176	-71.1	-172.1	-69.8	0	0	112.1	I150 E154 M155 T160 L161 I162 I191 F223 L241	I150-M158 HydrophobicContact CD1-CE 4.28Å; I150-M158 HydrophobicContact CG2-CE 3.66Å; E154-M158 HydrophobicContact CG-CE 4.44Å; E154-M158 PolarHBondContact O-N 2.78Å; M155-M158 HydrophobicContact CG-CE 4.33Å; M155-M158 PolarHBondContact O-N 3.09Å; M155-M158 HydrophobicContact SD-CE 3.43Å; M155-M158 WeakPolarHBondContact SD-CE 3.44Å; M158-T160 VanDerWaalsContact C-N 3.31Å; M158-T160 PolarHBondContact O-N 2.92Å; M158-L161 PolarHBondContact O-N 2.95Å; M158-I162 HydrophobicContact CB-CD1 4.27Å; M158-I162 VanDerWaalsContact O-CB 3.31Å; M158-I162 WeakPolarHBondContact O-CB 3.47Å; M158-I162 VanDerWaalsContact O-CD1 3.29Å; M158-I162 WeakPolarHBondContact O-CD1 3.49Å; M158-I162 WeakPolarHBondContact O-CG1 3.45Å; M158-I162 PolarHBondContact O-N 3.08Å; M158-I191 HydrophobicContact CB-CD1 3.84Å; M158-I191 HydrophobicContact CE-CD1 4.32Å; M158-I191 HydrophobicContact SD-CD1 4.38Å; M158-F223 HydrophobicContact CB-CZ 4.44Å; M158-F223 HydrophobicContact CG-CE2 4.17Å; M158-F223 HydrophobicContact CG-CZ 4.26Å; M158-F223 HydrophobicContact SD-CE2 4.43Å; M158-F223 HydrophobicContact SD-CZ 4.34Å; M158-L241 HydrophobicContact CG-CD1 3.75Å; M158-L241 HydrophobicContact CG-CD2 3.72Å; M158-L241 HydrophobicContact CG-CG 3.57Å
159	E	98.4	Very high	97.8	Very high	48 Å²	48	54.7 Å²	54.7	22%	0.224	28%	0.28	C	S	.	.	H	α-helix	trans	-56.1	-45.9	175.6	176.2	171.8	-123.7	0	0	111.5	M155 I162 L163 I177 Y181	M155-E159 WeakPolarHBondContact O-CB 3.46Å; M155-E159 PolarHBondContact O-N 3.45Å; E159-I162 PolarHBondContact O-N 3.3Å; E159-L163 HydrophobicContact CG-CD1 3.85Å; E159-L163 HydrophobicContact CG-CG 4.32Å; E159-L163 WeakPolarHBondContact O-CB 3.34Å; E159-L163 VanDerWaalsContact O-CG 3.28Å; E159-L163 WeakPolarHBondContact O-CG 3.45Å; E159-L163 PolarHBondContact O-N 3.1Å; E159-I177 HydrophobicContact CB-CG1 3.91Å; E159-I177 HydrophobicContact CG-CG1 3.7Å; E159-Y181 WeakPolarHBondContact OE1-CE1 3.13Å; E159-Y181 WeakPolarHBondContact OE2-CE1 3.4Å; E159-Y181 PolarHBondContact OE2-OH 3.34Å
160	T	98.3	Very high	97.8	Very high	68 Å²	68	53.9 Å²	53.9	42%	0.417	28%	0.281	S	S	.	.	H	α-helix	trans	-60	-50.1	179.3	-56.5	0	0	0	0	111.1	T156 K157 M158 Q164	T156-T160 PolarHBondContact O-N 3.48Å; T156-T160 PolarHBondContact O-OG1 3.2Å; K157-T160 PolarHBondContact O-N 2.9Å; M158-T160 VanDerWaalsContact C-N 3.31Å; M158-T160 PolarHBondContact O-N 2.92Å; T160-Q164 WeakPolarHBondContact O-CB 3.24Å; T160-Q164 VanDerWaalsContact O-CG 3.26Å; T160-Q164 WeakPolarHBondContact O-CG 3.43Å; T160-Q164 PolarHBondContact O-N 3.18Å; T160-Q164 VanDerWaalsContact O-N 3.11Å
161	L	98	Very high	97.8	Very high	43 Å²	43	59 Å²	59	23%	0.225	31%	0.313	C	S	.	.	H	α-helix	trans	-58.9	-52	177	176.2	67.3	0	0	0	111	K157 M158 L163 Q164 E165 F223 L241	K157-L161 PolarHBondContact O-N 3.37Å; K157-L161 VanDerWaalsContact O-N 3.09Å; M158-L161 PolarHBondContact O-N 2.95Å; L161-L163 VanDerWaalsContact C-N 3.33Å; L161-L163 PolarHBondContact O-N 3.43Å; L161-Q164 PolarHBondContact O-N 3.28Å; L161-E165 HydrophobicContact CD1-CG 3.71Å; L161-E165 HydrophobicContact CG-CG 4.19Å; L161-E165 WeakPolarHBondContact O-CB 3.31Å; L161-E165 WeakPolarHBondContact O-CG 3.44Å; L161-E165 PolarHBondContact O-N 2.75Å; L161-F223 HydrophobicContact CD2-CB 4.36Å; L161-F223 HydrophobicContact CD2-CD2 3.5Å; L161-F223 HydrophobicContact CD2-CE2 3.92Å; L161-F223 HydrophobicContact CD2-CG 3.93Å; L161-L241 HydrophobicContact CD2-CD2 3.95Å
162	I	98.4	Very high	97.8	Very high	0 Å²	0	61 Å²	61	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-56	-48.1	-177.6	-74.8	159.6	0	0	0	111.1	M158 E159 E165 L166 I177 I191 I193 F218 F223	M158-I162 HydrophobicContact CB-CD1 4.27Å; M158-I162 VanDerWaalsContact O-CB 3.31Å; M158-I162 WeakPolarHBondContact O-CB 3.47Å; M158-I162 VanDerWaalsContact O-CD1 3.29Å; M158-I162 WeakPolarHBondContact O-CD1 3.49Å; M158-I162 WeakPolarHBondContact O-CG1 3.45Å; M158-I162 PolarHBondContact O-N 3.08Å; E159-I162 PolarHBondContact O-N 3.3Å; I162-E165 PolarHBondContact O-N 3.36Å; I162-L166 HydrophobicContact CG2-CD1 3.96Å; I162-L166 HydrophobicContact CG2-CG 4.43Å; I162-L166 WeakPolarHBondContact O-CB 3.47Å; I162-L166 WeakPolarHBondContact O-CG 3.48Å; I162-L166 PolarHBondContact O-N 3.37Å; I162-I177 HydrophobicContact CD1-CD1 4.15Å; I162-I177 HydrophobicContact CG2-CD1 4.21Å; I162-I191 HydrophobicContact CD1-CD1 3.33Å; I162-I191 HydrophobicContact CD1-CG1 4.33Å; I162-I193 HydrophobicContact CD1-CD1 3.55Å; I162-I193 HydrophobicContact CD1-CG1 4.42Å; I162-I193 HydrophobicContact CG1-CD1 4.13Å; I162-I193 HydrophobicContact CG2-CD1 3.93Å; I162-F218 HydrophobicContact CB-CZ 4.41Å; I162-F218 HydrophobicContact CG1-CZ 4.32Å; I162-F218 HydrophobicContact CG2-CZ 4.07Å; I162-F223 HydrophobicContact CD1-CE1 3.96Å; I162-F223 HydrophobicContact CD1-CZ 3.98Å; I162-F223 HydrophobicContact CG1-CE1 3.71Å; I162-F223 HydrophobicContact CG1-CZ 4.04Å
163	L	98.2	Very high	97.8	Very high	71 Å²	71	58.6 Å²	58.6	37%	0.372	31%	0.308	S	S	.	.	H	α-helix	trans	-68.5	-38.9	-177	-65.8	179.5	0	0	0	112	E159 L161 L166 E167 G175	E159-L163 HydrophobicContact CG-CD1 3.85Å; E159-L163 HydrophobicContact CG-CG 4.32Å; E159-L163 WeakPolarHBondContact O-CB 3.34Å; E159-L163 VanDerWaalsContact O-CG 3.28Å; E159-L163 WeakPolarHBondContact O-CG 3.45Å; E159-L163 PolarHBondContact O-N 3.1Å; L161-L163 VanDerWaalsContact C-N 3.33Å; L161-L163 PolarHBondContact O-N 3.43Å; L163-L166 HydrophobicContact CD2-CD1 4.44Å; L163-E167 PolarHBondContact O-N 3.36Å; L163-G175 WeakPolarHBondContact CD2-O 3.46Å
164	Q	98.2	Very high	97.9	Very high	111 Å²	111	58.2 Å²	58.2	52%	0.519	30%	0.299	S	S	.	.	H	α-helix	trans	-62.7	-46.8	174.8	-74.2	174.3	-25.7	0	0	111.6	T160 L161 E167 L168	T160-Q164 WeakPolarHBondContact O-CB 3.24Å; T160-Q164 VanDerWaalsContact O-CG 3.26Å; T160-Q164 WeakPolarHBondContact O-CG 3.43Å; T160-Q164 PolarHBondContact O-N 3.18Å; T160-Q164 VanDerWaalsContact O-N 3.11Å; L161-Q164 PolarHBondContact O-N 3.28Å; Q164-E167 WeakPolarHBondContact O-CB 3.43Å; Q164-E167 PolarHBondContact O-N 3.5Å; Q164-L168 PolarHBondContact O-N 2.96Å
165	E	98.4	Very high	97.9	Very high	34 Å²	34	58.2 Å²	58.2	16%	0.159	30%	0.303	C	S	.	.	H	α-helix	trans	-71.3	-31.6	-177.7	-66.2	-62.1	153.2	0	0	112.1	L161 I162 E167 L168 V169 H217 F218 I221	L161-E165 HydrophobicContact CD1-CG 3.71Å; L161-E165 HydrophobicContact CG-CG 4.19Å; L161-E165 WeakPolarHBondContact O-CB 3.31Å; L161-E165 WeakPolarHBondContact O-CG 3.44Å; L161-E165 PolarHBondContact O-N 2.75Å; I162-E165 PolarHBondContact O-N 3.36Å; E165-E167 VanDerWaalsContact C-N 3.33Å; E165-E167 PolarHBondContact O-N 3.13Å; E165-L168 PolarHBondContact O-N 3.25Å; E165-V169 WeakPolarHBondContact O-CG2 3.39Å; E165-V169 PolarHBondContact O-N 3.15Å; E165-H217 IonicContact OE2-CD2 3.31Å; E165-H217 IonicContact OE2-CE1 2.8Å; E165-H217 PolarHBondContact OE2-CE1 3.08Å; E165-H217 IonicContact OE2-NE2 2.65Å; E165-H217 PolarHBondContact OE2-NE2 3.35Å; E165-F218 HydrophobicContact CB-CD1 4.23Å; E165-F218 HydrophobicContact CB-CE1 3.63Å; E165-I221 HydrophobicContact CB-CD1 4.31Å; E165-I221 HydrophobicContact CG-CD1 3.61Å
166	L	98.2	Very high	98	Very high	5 Å²	5	59.2 Å²	59.2	3%	0.026	31%	0.309	C	S	.	.	H	α-helix	trans	-61.6	-41	171.1	-77.4	173.8	0	0	0	112.1	I162 L163 L168 V169 D170 Y173 L195 V214 F218	I162-L166 HydrophobicContact CG2-CD1 3.96Å; I162-L166 HydrophobicContact CG2-CG 4.43Å; I162-L166 WeakPolarHBondContact O-CB 3.47Å; I162-L166 WeakPolarHBondContact O-CG 3.48Å; I162-L166 PolarHBondContact O-N 3.37Å; L163-L166 HydrophobicContact CD2-CD1 4.44Å; L166-L168 VanDerWaalsContact C-N 3.25Å; L166-L168 PolarHBondContact O-N 3.31Å; L166-V169 PolarHBondContact O-N 3.06Å; L166-D170 PolarHBondContact O-N 3.16Å; L166-D170 VanDerWaalsContact O-O 3.09Å; L166-Y173 HydrophobicContact CD2-CG 4.47Å; L166-L195 HydrophobicContact CD1-CD1 4.02Å; L166-L195 HydrophobicContact CD2-CD1 3.82Å; L166-V214 HydrophobicContact CD2-CB 4.34Å; L166-V214 HydrophobicContact CD2-CG1 3.6Å; L166-V214 HydrophobicContact CD2-CG2 3.73Å; L166-F218 HydrophobicContact CD2-CZ 4.18Å; L166-F218 HydrophobicContact CG-CZ 4.13Å
167	E	97.2	Very high	98	Very high	128 Å²	128	56.8 Å²	56.8	60%	0.598	29%	0.294	S	S	*	.	H	α-helix	trans	-63.8	-31.4	177.9	-169.7	175.2	-178.7	0	0	112.1	L163 Q164 E165 T171	L163-E167 PolarHBondContact O-N 3.36Å; Q164-E167 WeakPolarHBondContact O-CB 3.43Å; Q164-E167 PolarHBondContact O-N 3.5Å; E165-E167 VanDerWaalsContact C-N 3.33Å; E165-E167 PolarHBondContact O-N 3.13Å; E167-T171 HydrophobicContact CG-CG2 4.07Å
168	L	97.4	Very high	98	Very high	128 Å²	128	51.8 Å²	51.8	67%	0.67	27%	0.272	S	S	*	.	H	α-helix	trans	-72.6	-31.9	174.4	-62.9	180	0	0	0	113.2	Q164 E165 L166	Q164-L168 PolarHBondContact O-N 2.96Å; E165-L168 PolarHBondContact O-N 3.25Å; L166-L168 VanDerWaalsContact C-N 3.25Å; L166-L168 PolarHBondContact O-N 3.31Å
169	V	97.3	Very high	98	Very high	45 Å²	45	51.9 Å²	51.9	27%	0.273	27%	0.273	S	S	.	.	H	α-helix	trans	-72.1	-52.3	176	-180	0	0	0	0	110.3	E165 L166 Y173 A213 V214 H217	E165-V169 WeakPolarHBondContact O-CG2 3.39Å; E165-V169 PolarHBondContact O-N 3.15Å; L166-V169 PolarHBondContact O-N 3.06Å; V169-Y173 HydrophobicContact CB-CD2 4.43Å; V169-Y173 HydrophobicContact CB-CE2 4.34Å; V169-Y173 HydrophobicContact CG1-CD2 4.32Å; V169-Y173 HydrophobicContact CG1-CE2 3.75Å; V169-A213 HydrophobicContact CG1-CB 4.41Å; V169-V214 HydrophobicContact CG1-CG2 4.44Å; V169-H217 HydrophobicContact CG2-CB 3.52Å; V169-H217 WeakPolarHBondContact CG2-CD2 3.47Å
170	D	97.1	Very high	98	Very high	56 Å²	56	50.4 Å²	50.4	30%	0.299	27%	0.268	S	S	.	.			trans	-162.6	126.4	173.3	-164.5	-35.6	0	0	0	109.6	L166 E172 Y173 H197	L166-D170 PolarHBondContact O-N 3.16Å; L166-D170 VanDerWaalsContact O-O 3.09Å; D170-E172 PolarHBondContact O-N 2.66Å; D170-E172 VanDerWaalsContact O-N 3.07Å; D170-E172 WeakPolarHBondContact OD1-CB 3.47Å; D170-E172 PolarHBondContact OD1-N 2.91Å; D170-Y173 HydrophobicContact CB-CD2 3.5Å; D170-Y173 HydrophobicContact CB-CE2 3.59Å; D170-Y173 WeakPolarHBondContact O-CD2 3.26Å; D170-Y173 PolarHBondContact O-N 3.47Å; D170-Y173 VanDerWaalsContact O-N 3.08Å; D170-H197 IonicContact OD2-NE2 2.92Å; D170-H197 PolarHBondContact OD2-NE2 3.1Å
171	T	97.4	Very high	98	Very high	109 Å²	109	48 Å²	48	67%	0.669	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-16.8	177.4	57.7	0	0	0	0	113.9	E167	E167-T171 HydrophobicContact CG-CG2 4.07Å
172	E	97.4	Very high	98.1	Very high	97 Å²	97	49.2 Å²	49.2	45%	0.453	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-9.7	177.8	-62.3	-159.6	105.9	0	0	114	D170 H197 P198	D170-E172 PolarHBondContact O-N 2.66Å; D170-E172 VanDerWaalsContact O-N 3.07Å; D170-E172 WeakPolarHBondContact OD1-CB 3.47Å; D170-E172 PolarHBondContact OD1-N 2.91Å; E172-H197 IonicContact OE2-CE1 3.15Å; E172-P198 HydrophobicContact CB-CG 3.73Å; E172-P198 HydrophobicContact CG-CG 4.2Å; E172-P198 WeakPolarHBondContact O-CD 3.35Å; E172-P198 WeakPolarHBondContact OE1-CG 3.5Å
173	Y	98.1	Very high	98.1	Very high	24 Å²	24	51.2 Å²	51.2	9%	0.094	26%	0.261	C	S	.	.			trans	-66.2	138.7	172.1	-80.7	-65.8	0	0	0	111.5	L166 V169 D170 L195 H197 L210 V214	L166-Y173 HydrophobicContact CD2-CG 4.47Å; V169-Y173 HydrophobicContact CB-CD2 4.43Å; V169-Y173 HydrophobicContact CB-CE2 4.34Å; V169-Y173 HydrophobicContact CG1-CD2 4.32Å; V169-Y173 HydrophobicContact CG1-CE2 3.75Å; D170-Y173 HydrophobicContact CB-CD2 3.5Å; D170-Y173 HydrophobicContact CB-CE2 3.59Å; D170-Y173 WeakPolarHBondContact O-CD2 3.26Å; D170-Y173 PolarHBondContact O-N 3.47Å; D170-Y173 VanDerWaalsContact O-N 3.08Å; Y173-L195 HydrophobicContact CD1-CD1 3.69Å; Y173-L195 HydrophobicContact CD1-CD2 4.04Å; Y173-L195 HydrophobicContact CD1-CG 3.91Å; Y173-L195 HydrophobicContact CE1-CD1 4.43Å; Y173-L195 HydrophobicContact CE1-CD2 3.93Å; Y173-L195 HydrophobicContact CE1-CG 4.25Å; Y173-L195 HydrophobicContact CG-CD1 4.28Å; Y173-H197 HydrophobicContact CD1-CB 4.01Å; Y173-H197 AromaticContact CD1-CD2 3.63Å; Y173-H197 HydrophobicContact CE1-CB 3.88Å; Y173-H197 AromaticContact CE1-CD2 3.54Å; Y173-H197 AromaticContact CE1-CG 3.99Å; Y173-H197 AromaticContact CE2-CD2 3.97Å; Y173-H197 AromaticContact CG-CD2 3.89Å; Y173-H197 AromaticContact CZ-CD2 3.7Å; Y173-L210 HydrophobicContact CE1-CB 4.25Å; Y173-L210 HydrophobicContact CE1-CD2 4.47Å; Y173-L210 WeakPolarHBondContact OH-CA 3.27Å; Y173-L210 WeakPolarHBondContact OH-CB 3.49Å; Y173-L210 VanDerWaalsContact OH-CD2 3.3Å; Y173-L210 WeakPolarHBondContact OH-CD2 3.45Å; Y173-L210 PolarHBondContact OH-O 3.19Å; Y173-L210 VanDerWaalsContact OH-O 3.09Å; Y173-V214 HydrophobicContact CD1-CG2 4.41Å; Y173-V214 HydrophobicContact CD2-CG2 4.31Å; Y173-V214 HydrophobicContact CE1-CG2 3.97Å; Y173-V214 HydrophobicContact CE2-CG2 3.9Å
174	I	98.2	Very high	98.1	Very high	76 Å²	76	49.6 Å²	49.6	39%	0.39	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	110.4	166.6	-55	177.8	0	0	0	108.1	T196 K263	I174-T196 PolarHBondContact N-O 3.1Å; I174-T196 PolarHBondContact O-N 2.68Å; I174-K263 VanDerWaalsContact CD1-NZ 3.31Å
175	G	98.3	Very high	98	Very high	14 Å²	14	45.3 Å²	45.3	14%	0.144	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	136.6	169	0	0	0	0	0	111.3	L163 L194	L163-G175 WeakPolarHBondContact CD2-O 3.46Å; G175-L194 CarbonylContact C-O 3.56Å; G175-L194 WeakPolarHBondContact CA-O 3.22Å
176	T	98.8	Very high	97.9	Very high	23 Å²	23	50 Å²	50	14%	0.141	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	115.1	172	-57.6	0	0	0	0	109.4	C178 L194 Y266 V270	T176-C178 PolarHBondContact O-N 3.45Å; T176-C178 PolarHBondContact O-SG 3.21Å; T176-L194 PolarHBondContact N-O 2.83Å; T176-L194 PolarHBondContact O-N 3.31Å; T176-Y266 PolarHBondContact OG1-OH 2.77Å; T176-V270 HydrophobicContact CG2-CG2 4.24Å
177	I	98.7	Very high	97.8	Very high	6 Å²	6	50.8 Å²	50.8	3%	0.031	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	119.1	173.7	-48	-54.9	0	0	0	108.7	M155 E159 I162 Y181 I191 D192 I193	M155-I177 HydrophobicContact CE-CG2 4.09Å; E159-I177 HydrophobicContact CB-CG1 3.91Å; E159-I177 HydrophobicContact CG-CG1 3.7Å; I162-I177 HydrophobicContact CD1-CD1 4.15Å; I162-I177 HydrophobicContact CG2-CD1 4.21Å; I177-Y181 HydrophobicContact CB-CD1 3.85Å; I177-Y181 HydrophobicContact CB-CE1 4.21Å; I177-Y181 HydrophobicContact CG2-CD1 3.5Å; I177-Y181 HydrophobicContact CG2-CE1 4.19Å; I177-Y181 HydrophobicContact CG2-CG 4.04Å; I177-I191 HydrophobicContact CD1-CD1 4.21Å; I177-I191 HydrophobicContact CD1-CG1 4.44Å; I177-I191 HydrophobicContact CG2-CD1 4.39Å; I177-I191 HydrophobicContact CG2-CG1 4.17Å; I177-D192 CarbonylContact C-O 3.58Å; I177-D192 WeakPolarHBondContact CA-O 3.08Å; I177-I193 HydrophobicContact CD1-CB 4.46Å; I177-I193 HydrophobicContact CD1-CD1 4.36Å; I177-I193 HydrophobicContact CD1-CG1 3.83Å; I177-I193 HydrophobicContact CD1-CG2 4.28Å
178	C	98.8	Very high	97.9	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.007	24%	0.244	C	C	.	.			trans	-107	-141.2	-171.4	-70.6	0	0	0	0	111.3	T176 Y181 R182 D192 F273	T176-C178 PolarHBondContact O-N 3.45Å; T176-C178 PolarHBondContact O-SG 3.21Å; C178-Y181 PolarHBondContact O-N 2.75Å; C178-R182 PolarHBondContact O-N 3.27Å; C178-R182 VanDerWaalsContact O-N 3.12Å; C178-D192 HydrophobicContact CB-CB 4.19Å; C178-D192 PolarHBondContact N-O 3.32Å; C178-F273 HydrophobicContact CB-CB 3.89Å; C178-F273 HydrophobicContact CB-CD2 4Å; C178-F273 HydrophobicContact CB-CG 4.03Å; C178-F273 WeakPolarHBondContact CB-O 3.21Å
179	G	98.3	Very high	97.8	Very high	3 Å²	3	39.9 Å²	39.9	3%	0.031	23%	0.225	C	C	.	.	H	α-helix	trans	62	-151.2	172.6	0	0	0	0	0	114.3	Y181 R183 D192 F273	G179-Y181 PolarHBondContact O-N 3.1Å; G179-R183 WeakPolarHBondContact O-CG 3.48Å; G179-R183 PolarHBondContact O-N 2.7Å; G179-R183 PolarHBondContact O-NH1 3.22Å; G179-D192 WeakPolarHBondContact CA-OD2 3.25Å; G179-F273 WeakPolarHBondContact CA-O 3.42Å; G179-F273 PolarHBondContact N-O 2.69Å
180	S	98.1	Very high	97.8	Very high	16 Å²	16	40.1 Å²	40.1	11%	0.112	23%	0.225	C	C	.	.	H	α-helix	trans	-62.6	-27.2	175.6	43.8	0	0	0	0	113.4	R183 G184 A185 S188	S180-R183 CarbonylContact O-C 3.59Å; S180-R183 PolarHBondContact O-N 3.03Å; S180-G184 PolarHBondContact O-N 2.68Å; S180-A185 VanDerWaalsContact O-CB 3.26Å; S180-A185 WeakPolarHBondContact O-CB 3.23Å; S180-A185 PolarHBondContact O-N 3.27Å; S180-S188 WeakPolarHBondContact OG-CA 3.32Å; S180-S188 VanDerWaalsContact OG-CB 3.32Å; S180-S188 WeakPolarHBondContact OG-CB 3.32Å; S180-S188 PolarHBondContact OG-OG 3.26Å
181	Y	98.6	Very high	97.8	Very high	17 Å²	17	37.5 Å²	37.5	7%	0.067	21%	0.211	C	C	.	.	H	α-helix	trans	-64	-48.2	-179.8	-178.4	-103.7	0	0	0	111.9	R152 M155 T156 E159 I177 C178 G179 R183 G184 S188	R152-Y181 HydrophobicContact CG-CD2 4.35Å; R152-Y181 HydrophobicContact CG-CE2 3.99Å; R152-Y181 PolarHBondContact NH1-O 3.35Å; R152-Y181 PolarHBondContact NH2-O 2.94Å; M155-Y181 HydrophobicContact CB-CD2 3.48Å; M155-Y181 VanDerWaalsContact CB-CD2 3.48Å; M155-Y181 HydrophobicContact CB-CE2 3.57Å; M155-Y181 HydrophobicContact CB-CG 4.38Å; M155-Y181 HydrophobicContact CE-CD2 4.23Å; M155-Y181 HydrophobicContact CE-CG 4.04Å; M155-Y181 HydrophobicContact CG-CD2 4.06Å; T156-Y181 PolarHBondContact OG1-OH 3.37Å; T156-Y181 VanDerWaalsContact OG1-OH 3.07Å; E159-Y181 WeakPolarHBondContact OE1-CE1 3.13Å; E159-Y181 WeakPolarHBondContact OE2-CE1 3.4Å; E159-Y181 PolarHBondContact OE2-OH 3.34Å; I177-Y181 HydrophobicContact CB-CD1 3.85Å; I177-Y181 HydrophobicContact CB-CE1 4.21Å; I177-Y181 HydrophobicContact CG2-CD1 3.5Å; I177-Y181 HydrophobicContact CG2-CE1 4.19Å; I177-Y181 HydrophobicContact CG2-CG 4.04Å; C178-Y181 PolarHBondContact O-N 2.75Å; G179-Y181 PolarHBondContact O-N 3.1Å; Y181-R183 PolarHBondContact O-N 3.42Å; Y181-G184 PolarHBondContact O-N 2.79Å; Y181-S188 PolarHBondContact N-OG 2.77Å
182	R	98.7	Very high	97.9	Very high	69 Å²	69	33.2 Å²	33.2	26%	0.26	18%	0.184	S	C	.	.	H	α-helix	trans	-65	-26.3	175.4	-169.1	166.5	-174.1	-90.3	-3	113.4	C178 G184 T274 E317 P331	C178-R182 PolarHBondContact O-N 3.27Å; C178-R182 VanDerWaalsContact O-N 3.12Å; R182-G184 PolarHBondContact O-N 3.37Å; R182-T274 WeakPolarHBondContact CD-OG1 3.26Å; R182-T274 HydrophobicContact CG-CG2 4.36Å; R182-T274 PolarHBondContact NH1-OG1 2.89Å; R182-E317 IonicContact CZ-OE1 2.77Å; R182-E317 IonicContact NH1-OE1 3.44Å; R182-E317 PolarHBondContact NH1-OE1 3.2Å; R182-E317 IonicContact NH1-OE2 2.92Å; R182-E317 PolarHBondContact NH1-OE2 3.03Å; R182-E317 IonicContact NH2-OE1 3.77Å; R182-E317 PolarHBondContact NH2-OE1 3.46Å; R182-P331 HydrophobicContact CG-CB 4.34Å; R182-P331 WeakPolarHBondContact O-CB 3.31Å
183	R	98.4	Very high	98	Very high	42 Å²	42	28.7 Å²	28.7	16%	0.158	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	6.6	171.4	-56.2	-167.2	-53.4	-83.5	-3.4	113.5	G179 S180 Y181 T274 P331 K332 S335	G179-R183 WeakPolarHBondContact O-CG 3.48Å; G179-R183 PolarHBondContact O-N 2.7Å; G179-R183 PolarHBondContact O-NH1 3.22Å; S180-R183 CarbonylContact O-C 3.59Å; S180-R183 PolarHBondContact O-N 3.03Å; Y181-R183 PolarHBondContact O-N 3.42Å; R183-T274 WeakPolarHBondContact CD-O 3.42Å; R183-T274 HydrophobicContact CG-CG2 3.8Å; R183-T274 PolarHBondContact NH1-O 3.2Å; R183-P331 WeakPolarHBondContact CB-O 3.36Å; R183-P331 VanDerWaalsContact CG-O 3.26Å; R183-P331 WeakPolarHBondContact CG-O 3.46Å; R183-K332 VanDerWaalsContact O-CA 3.31Å; R183-K332 WeakPolarHBondContact O-CA 3.45Å; R183-S335 PolarHBondContact NE-OG 3.05Å; R183-S335 VanDerWaalsContact NE-OG 3.1Å
184	G	97.8	Very high	98	Very high	38 Å²	38	27.5 Å²	27.5	39%	0.392	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.2	24.4	176.1	0	0	0	0	0	114.4	S180 Y181 R182	S180-G184 PolarHBondContact O-N 2.68Å; Y181-G184 PolarHBondContact O-N 2.79Å; R182-G184 PolarHBondContact O-N 3.37Å
185	A	96.2	Very high	98	Very high	20 Å²	20	24 Å²	24	17%	0.165	14%	0.14	C	C	.	.			trans	-67.7	141.2	176.4	0	0	0	0	0	111.7	R152 S180 S187	R152-A185 WeakPolarHBondContact CD-O 3.28Å; R152-A185 PolarHBondContact NH1-O 2.96Å; S180-A185 VanDerWaalsContact O-CB 3.26Å; S180-A185 WeakPolarHBondContact O-CB 3.23Å; S180-A185 PolarHBondContact O-N 3.27Å; A185-S187 PolarHBondContact O-N 2.93Å
186	E	96.9	Very high	98	Very high	134 Å²	134	23.4 Å²	23.4	63%	0.626	13%	0.134	S	C	*	.	S	Bend	trans	-67.6	-19.7	172.9	-63.1	-53.8	138.1	0	0	113.1	A6 R152	A6-E186 HydrophobicContact CB-CB 4.45Å; R152-E186 VanDerWaalsContact CB-O 3.29Å; R152-E186 WeakPolarHBondContact CB-O 3.14Å; R152-E186 PolarHBondContact N-O 3.04Å
187	S	97.1	Very high	97.9	Very high	21 Å²	21	22.3 Å²	22.3	15%	0.147	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	145.8	169.8	63.5	0	0	0	0	112.8	R149 I150 A185	R149-S187 WeakPolarHBondContact CD-OG 3.35Å; R149-S187 PolarHBondContact NE-OG 2.86Å; R149-S187 PolarHBondContact NH2-O 3.08Å; I150-S187 CarbonylContact O-C 3.39Å; I150-S187 WeakPolarHBondContact O-CA 3.29Å; I150-S187 VanDerWaalsContact O-CB 3.28Å; I150-S187 WeakPolarHBondContact O-CB 3.3Å; A185-S187 PolarHBondContact O-N 2.93Å
188	S	97.9	Very high	97.8	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	162.5	178.8	-68.7	0	0	0	0	111.9	R149 I150 S180 Y181 D190	R149-S188 WeakPolarHBondContact CA-O 3.45Å; R149-S188 PolarHBondContact NH2-O 3.07Å; I150-S188 PolarHBondContact N-O 2.94Å; I150-S188 PolarHBondContact O-N 2.82Å; S180-S188 WeakPolarHBondContact OG-CA 3.32Å; S180-S188 VanDerWaalsContact OG-CB 3.32Å; S180-S188 WeakPolarHBondContact OG-CB 3.32Å; S180-S188 PolarHBondContact OG-OG 3.26Å; Y181-S188 PolarHBondContact N-OG 2.77Å; S188-D190 WeakPolarHBondContact CB-O 3.47Å
189	G	95.4	Very high	97.5	Very high	26 Å²	26	28.1 Å²	28.1	27%	0.268	16%	0.16	S	C	.	.	S	Bend	trans	-88.9	-33	173.4	0	0	0	0	0	111.9	R149	R149-G189 VanDerWaalsContact NH2-N 3.12Å
190	D	97.8	Very high	97.3	Very high	51 Å²	51	28.6 Å²	28.6	27%	0.273	16%	0.161	S	C	.	.	S	Bend	trans	-155.6	176.2	-173.7	40.5	13.8	0	0	0	108.9	S188 R255	S188-D190 WeakPolarHBondContact CB-O 3.47Å; D190-R255 WeakPolarHBondContact CA-O 3.41Å; D190-R255 HydrophobicContact CB-CB 3.74Å; D190-R255 VanDerWaalsContact CB-O 3.27Å; D190-R255 WeakPolarHBondContact CB-O 3.4Å
191	I	98.1	Very high	97.2	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	123.6	172.5	-176.9	156.3	0	0	0	110.7	M155 M158 I162 I177 I193 R255 I256 D257	M155-I191 HydrophobicContact CE-CB 3.88Å; M155-I191 HydrophobicContact CE-CD1 4.07Å; M155-I191 HydrophobicContact CE-CG1 3.9Å; M155-I191 HydrophobicContact SD-CB 4.28Å; M158-I191 HydrophobicContact CB-CD1 3.84Å; M158-I191 HydrophobicContact CE-CD1 4.32Å; M158-I191 HydrophobicContact SD-CD1 4.38Å; I162-I191 HydrophobicContact CD1-CD1 3.33Å; I162-I191 HydrophobicContact CD1-CG1 4.33Å; I177-I191 HydrophobicContact CD1-CD1 4.21Å; I177-I191 HydrophobicContact CD1-CG1 4.44Å; I177-I191 HydrophobicContact CG2-CD1 4.39Å; I177-I191 HydrophobicContact CG2-CG1 4.17Å; I191-I193 HydrophobicContact CG1-CG1 4.07Å; I191-R255 WeakPolarHBondContact CG2-O 3.47Å; I191-R255 PolarHBondContact N-O 3.42Å; I191-I256 HydrophobicContact CG2-CB 3.51Å; I191-I256 HydrophobicContact CG2-CD1 3.94Å; I191-I256 HydrophobicContact CG2-CG1 3.7Å; I191-I256 WeakPolarHBondContact O-CA 3.37Å; I191-D257 PolarHBondContact O-N 3.42Å
192	D	98.8	Very high	96.9	Very high	19 Å²	19	31.4 Å²	31.4	10%	0.102	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	116.7	-180	-67.3	-60	0	0	0	109.1	I177 C178 G179 D257 F273	I177-D192 CarbonylContact C-O 3.58Å; I177-D192 WeakPolarHBondContact CA-O 3.08Å; C178-D192 HydrophobicContact CB-CB 4.19Å; C178-D192 PolarHBondContact N-O 3.32Å; G179-D192 WeakPolarHBondContact CA-OD2 3.25Å; D192-D257 CarbonylContact C-O 3.01Å; D192-F273 HydrophobicContact CB-CD1 4.29Å; D192-F273 HydrophobicContact CB-CD2 4.28Å; D192-F273 HydrophobicContact CB-CE1 3.84Å; D192-F273 HydrophobicContact CB-CE2 3.85Å; D192-F273 HydrophobicContact CB-CG 4.5Å; D192-F273 HydrophobicContact CB-CZ 3.6Å; D192-F273 VanDerWaalsContact OD1-CE1 3.27Å; D192-F273 WeakPolarHBondContact OD1-CE1 3.49Å; D192-F273 WeakPolarHBondContact OD1-CZ 3.37Å
193	I	98.8	Very high	96.4	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.01	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	110	-178.1	-47.4	180	0	0	0	109.6	I162 I177 I191 I256 D257 I258 R259 F273	I162-I193 HydrophobicContact CD1-CD1 3.55Å; I162-I193 HydrophobicContact CD1-CG1 4.42Å; I162-I193 HydrophobicContact CG1-CD1 4.13Å; I162-I193 HydrophobicContact CG2-CD1 3.93Å; I177-I193 HydrophobicContact CD1-CB 4.46Å; I177-I193 HydrophobicContact CD1-CD1 4.36Å; I177-I193 HydrophobicContact CD1-CG1 3.83Å; I177-I193 HydrophobicContact CD1-CG2 4.28Å; I191-I193 HydrophobicContact CG1-CG1 4.07Å; I193-I256 HydrophobicContact CD1-CD1 3.64Å; I193-I256 HydrophobicContact CD1-CG1 4.23Å; I193-D257 PolarHBondContact N-O 3.16Å; I193-I258 HydrophobicContact CB-CB 4.49Å; I193-I258 HydrophobicContact CB-CG1 4.26Å; I193-I258 HydrophobicContact CB-CG2 4.24Å; I193-I258 HydrophobicContact CD1-CD1 4.36Å; I193-I258 HydrophobicContact CD1-CG1 4.07Å; I193-I258 HydrophobicContact CG1-CG1 4.43Å; I193-I258 HydrophobicContact CG2-CG2 4.45Å; I193-I258 CarbonylContact O-C 3.49Å; I193-I258 WeakPolarHBondContact O-CA 3.45Å; I193-R259 PolarHBondContact O-N 2.81Å; I193-F273 WeakPolarHBondContact O-CE2 3.37Å
194	L	98.8	Very high	95.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	126.2	165.9	-165.5	77.2	0	0	0	108.5	G175 T176 R259 I261 Y266 V270 F273	G175-L194 CarbonylContact C-O 3.56Å; G175-L194 WeakPolarHBondContact CA-O 3.22Å; T176-L194 PolarHBondContact N-O 2.83Å; T176-L194 PolarHBondContact O-N 3.31Å; L194-R259 HydrophobicContact CD1-CB 4.43Å; L194-R259 HydrophobicContact CD1-CG 4.4Å; L194-I261 HydrophobicContact CD1-CB 4.16Å; L194-I261 HydrophobicContact CD1-CG1 3.71Å; L194-Y266 HydrophobicContact CD2-CD2 3.89Å; L194-Y266 HydrophobicContact CD2-CE2 3.83Å; L194-V270 HydrophobicContact CD2-CB 3.74Å; L194-V270 HydrophobicContact CD2-CG2 4.31Å; L194-F273 HydrophobicContact CB-CD2 4.04Å; L194-F273 HydrophobicContact CD1-CB 4.31Å; L194-F273 HydrophobicContact CD1-CD2 4.01Å
195	L	98.4	Very high	93.7	Very high	1 Å²	1	43 Å²	43	1%	0.005	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	139.4	-179.2	-170.2	69.5	0	0	0	109.7	L166 Y173 L211 V214 I258 R259 L260 I261	L166-L195 HydrophobicContact CD1-CD1 4.02Å; L166-L195 HydrophobicContact CD2-CD1 3.82Å; Y173-L195 HydrophobicContact CD1-CD1 3.69Å; Y173-L195 HydrophobicContact CD1-CD2 4.04Å; Y173-L195 HydrophobicContact CD1-CG 3.91Å; Y173-L195 HydrophobicContact CE1-CD1 4.43Å; Y173-L195 HydrophobicContact CE1-CD2 3.93Å; Y173-L195 HydrophobicContact CE1-CG 4.25Å; Y173-L195 HydrophobicContact CG-CD1 4.28Å; L195-L211 HydrophobicContact CD2-CD1 4.42Å; L195-V214 HydrophobicContact CD2-CB 4.37Å; L195-V214 HydrophobicContact CD2-CG1 4.48Å; L195-V214 HydrophobicContact CD2-CG2 3.89Å; L195-I258 HydrophobicContact CB-CG2 4.24Å; L195-I258 HydrophobicContact CD2-CG2 4.45Å; L195-R259 PolarHBondContact N-O 2.88Å; L195-L260 HydrophobicContact CB-CD1 4.34Å; L195-L260 HydrophobicContact CD2-CD1 4.25Å; L195-L260 HydrophobicContact CG-CD1 4.2Å; L195-L260 WeakPolarHBondContact O-CA 3.45Å; L195-I261 PolarHBondContact O-N 2.97Å
196	T	98	Very high	92.2	Very high	2 Å²	2	50.6 Å²	50.6	1%	0.012	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	156.2	169.7	66.4	0	0	0	0	110.4	I174 Y266	I174-T196 PolarHBondContact N-O 3.1Å; I174-T196 PolarHBondContact O-N 2.68Å; T196-Y266 HydrophobicContact CG2-CD2 3.91Å
197	H	97.2	Very high	90.7	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.258	C	S	.	.			trans	-148.6	141.7	177.1	-169	-80.7	0	0	0	108.5	D170 E172 Y173 N199 Y200 L210	D170-H197 IonicContact OD2-NE2 2.92Å; D170-H197 PolarHBondContact OD2-NE2 3.1Å; E172-H197 IonicContact OE2-CE1 3.15Å; Y173-H197 HydrophobicContact CD1-CB 4.01Å; Y173-H197 AromaticContact CD1-CD2 3.63Å; Y173-H197 HydrophobicContact CE1-CB 3.88Å; Y173-H197 AromaticContact CE1-CD2 3.54Å; Y173-H197 AromaticContact CE1-CG 3.99Å; Y173-H197 AromaticContact CE2-CD2 3.97Å; Y173-H197 AromaticContact CG-CD2 3.89Å; Y173-H197 AromaticContact CZ-CD2 3.7Å; H197-N199 VanDerWaalsContact C-N 3.26Å; H197-N199 PolarHBondContact CE1-ND2 3.4Å; H197-N199 VanDerWaalsContact CE1-ND2 3.31Å; H197-N199 WeakPolarHBondContact ND1-CB 3.49Å; H197-N199 PolarHBondContact ND1-N 3.17Å; H197-N199 VanDerWaalsContact ND1-N 3.1Å; H197-N199 PolarHBondContact O-N 3.03Å; H197-Y200 PolarHBondContact O-N 3.17Å; H197-L210 HydrophobicContact CB-CD1 3.81Å; H197-L210 HydrophobicContact CB-CD2 4.39Å
198	P	95.3	Very high	89.4	Confident	38 Å²	38	49.5 Å²	49.5	25%	0.247	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-33.3	-179.3	20.8	-31.8	0	0	0	114.1	E172 Y200 T201 K263	E172-P198 HydrophobicContact CB-CG 3.73Å; E172-P198 HydrophobicContact CG-CG 4.2Å; E172-P198 WeakPolarHBondContact O-CD 3.35Å; E172-P198 WeakPolarHBondContact OE1-CG 3.5Å; P198-Y200 PolarHBondContact O-N 3.01Å; P198-Y200 VanDerWaalsContact O-N 3.12Å; P198-T201 WeakPolarHBondContact O-CG2 3.43Å; P198-K263 HydrophobicContact CB-CD 4.14Å
199	N	93.6	Very high	89	Confident	92 Å²	92	57.1 Å²	57.1	49%	0.492	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	9.1	174.1	-60.9	-24.6	0	0	0	115.3	H197 P208	H197-N199 VanDerWaalsContact C-N 3.26Å; H197-N199 PolarHBondContact CE1-ND2 3.4Å; H197-N199 VanDerWaalsContact CE1-ND2 3.31Å; H197-N199 WeakPolarHBondContact ND1-CB 3.49Å; H197-N199 PolarHBondContact ND1-N 3.17Å; H197-N199 VanDerWaalsContact ND1-N 3.1Å; H197-N199 PolarHBondContact O-N 3.03Å; N199-P208 HydrophobicContact CB-CG 4.41Å
200	Y	94.6	Very high	89	Confident	13 Å²	13	56.6 Å²	56.6	5%	0.051	29%	0.292	C	S	.	.			trans	-134.2	102.2	172.2	178.7	-128.2	0	0	0	110.1	H197 P198 Q207 T233 L260 I261 P262 K263	H197-Y200 PolarHBondContact O-N 3.17Å; P198-Y200 PolarHBondContact O-N 3.01Å; P198-Y200 VanDerWaalsContact O-N 3.12Å; Y200-Q207 HydrophobicContact CD2-CG 4.28Å; Y200-Q207 HydrophobicContact CE2-CG 3.76Å; Y200-Q207 PolarHBondContact OH-NE2 3.42Å; Y200-T233 WeakPolarHBondContact OH-CG2 3.04Å; Y200-L260 HydrophobicContact CD1-CD1 3.9Å; Y200-L260 HydrophobicContact CD1-CD2 3.9Å; Y200-L260 HydrophobicContact CD1-CG 3.57Å; Y200-L260 HydrophobicContact CE1-CD1 4.49Å; Y200-L260 HydrophobicContact CE1-CD2 4.16Å; Y200-L260 HydrophobicContact CE1-CG 3.74Å; Y200-L260 HydrophobicContact CG-CD2 4.47Å; Y200-I261 VanDerWaalsContact CE1-C 3.42Å; Y200-P262 HydrophobicContact CD1-CG 4.42Å; Y200-P262 HydrophobicContact CE1-CB 4.4Å; Y200-P262 VanDerWaalsContact CE1-CD 3.47Å; Y200-P262 HydrophobicContact CE1-CG 3.76Å; Y200-P262 VanDerWaalsContact CE1-N 3.26Å; Y200-P262 HydrophobicContact CE2-CG 4.26Å; Y200-P262 CarbonylContact O-C 3.54Å; Y200-P262 WeakPolarHBondContact O-CA 3.43Å; Y200-K263 PolarHBondContact O-N 3.07Å
201	T	94.8	Very high	89	Confident	29 Å²	29	54.2 Å²	54.2	18%	0.178	28%	0.279	C	S	.	.			trans	-125	171.7	177.8	72.4	0	0	0	0	110.8	P198 V203 D204 D264	P198-T201 WeakPolarHBondContact O-CG2 3.43Å; T201-V203 PolarHBondContact O-N 3.3Å; T201-V203 WeakPolarHBondContact OG1-CG2 3.49Å; T201-V203 PolarHBondContact OG1-N 3.15Å; T201-D204 PolarHBondContact N-OD2 3Å; T201-D204 PolarHBondContact O-N 2.77Å; T201-D204 PolarHBondContact OG1-OD2 3.44Å; T201-D264 WeakPolarHBondContact CA-OD1 3.33Å; T201-D264 WeakPolarHBondContact CB-OD1 3.44Å
202	S	93.1	Very high	89	Confident	62 Å²	62	56 Å²	56	43%	0.434	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-12.3	-180	71.8	0	0	0	0	114.3	D264	S202-D264 WeakPolarHBondContact CB-OD2 3.49Å; S202-D264 PolarHBondContact N-OD1 3.36Å; S202-D264 PolarHBondContact N-OD2 3.36Å; S202-D264 PolarHBondContact OG-OD2 3.17Å
203	V	88.6	Confident	88.9	Confident	119 Å²	119	56.9 Å²	56.9	72%	0.721	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-17.1	178.1	-62.9	0	0	0	0	113.3	T201	T201-V203 PolarHBondContact O-N 3.3Å; T201-V203 WeakPolarHBondContact OG1-CG2 3.49Å; T201-V203 PolarHBondContact OG1-N 3.15Å
204	D	77	Confident	88.9	Confident	76 Å²	76	56.8 Å²	56.8	41%	0.406	30%	0.297	S	S	.	.			trans	-86.8	118.9	-177.2	-62.5	-53.2	0	0	0	111.2	T201 K206	T201-D204 PolarHBondContact N-OD2 3Å; T201-D204 PolarHBondContact O-N 2.77Å; T201-D204 PolarHBondContact OG1-OD2 3.44Å; D204-K206 VanDerWaalsContact C-N 3.32Å; D204-K206 PolarHBondContact O-N 2.84Å
205	E	61.3	Low	88.8	Confident	197 Å²	197	56.8 Å²	56.8	92%	0.921	30%	0.297	S	S	*	.	S	Bend	trans	-74.3	-21.5	178.5	-67.8	-173.9	165.5	0	0	113.4
206	K	64.6	Low	88.8	Confident	180 Å²	180	61.7 Å²	61.7	78%	0.783	32%	0.319	S	S	*	.			trans	-97.4	118	-178.6	-70.3	-176.9	-178.2	176.7	0	109.9	D204 P208	D204-K206 VanDerWaalsContact C-N 3.32Å; D204-K206 PolarHBondContact O-N 2.84Å; K206-P208 VanDerWaalsContact O-CD 3.28Å; K206-P208 WeakPolarHBondContact O-CD 3.16Å
207	Q	66	Low	88.9	Confident	80 Å²	80	63.6 Å²	63.6	37%	0.374	33%	0.328	S	S	.	.			trans	-82.8	109.8	167	-63.5	-175.1	-0.1	0	0	107.7	Y200 T233	Y200-Q207 HydrophobicContact CD2-CG 4.28Å; Y200-Q207 HydrophobicContact CE2-CG 3.76Å; Y200-Q207 PolarHBondContact OH-NE2 3.42Å; Q207-T233 VanDerWaalsContact OE1-CG2 3.3Å
208	P	68.8	Low	88.9	Confident	52 Å²	52	63.7 Å²	63.7	34%	0.338	33%	0.328	S	S	.	.			trans	-64.2	161.5	170	3.3	12.2	0	0	0	108	N199 K206 L210	N199-P208 HydrophobicContact CB-CG 4.41Å; K206-P208 VanDerWaalsContact O-CD 3.28Å; K206-P208 WeakPolarHBondContact O-CD 3.16Å; P208-L210 HydrophobicContact CB-CD1 4.4Å; P208-L210 HydrophobicContact CB-CD2 4.2Å; P208-L210 HydrophobicContact CB-CG 3.82Å; P208-L210 HydrophobicContact CG-CD1 3.76Å; P208-L210 HydrophobicContact CG-CD2 4.22Å; P208-L210 HydrophobicContact CG-CG 3.73Å; P208-L210 PolarHBondContact O-N 2.88Å
209	K	90.6	Very high	89.1	Confident	161 Å²	161	65.5 Å²	65.5	70%	0.7	33%	0.334	S	S	*	.	S	Bend	trans	-67.3	35.3	176	-73.3	-171.9	178.4	-174.6	0	113.1	H212 A213	K209-H212 HydrophobicContact CB-CB 4.06Å; K209-H212 WeakPolarHBondContact O-CB 3.49Å; K209-H212 PolarHBondContact O-N 3.05Å; K209-H212 VanDerWaalsContact O-N 3.14Å; K209-A213 PolarHBondContact O-N 2.6Å
210	L	95.6	Very high	89.3	Confident	15 Å²	15	65.4 Å²	65.4	8%	0.079	34%	0.341	C	S	.	.	H	α-helix	trans	-57.6	-54.4	-174.7	-65.2	171.9	0	0	0	111.5	Y173 H197 P208 H212 A213 V214 L260	Y173-L210 HydrophobicContact CE1-CB 4.25Å; Y173-L210 HydrophobicContact CE1-CD2 4.47Å; Y173-L210 WeakPolarHBondContact OH-CA 3.27Å; Y173-L210 WeakPolarHBondContact OH-CB 3.49Å; Y173-L210 VanDerWaalsContact OH-CD2 3.3Å; Y173-L210 WeakPolarHBondContact OH-CD2 3.45Å; Y173-L210 PolarHBondContact OH-O 3.19Å; Y173-L210 VanDerWaalsContact OH-O 3.09Å; H197-L210 HydrophobicContact CB-CD1 3.81Å; H197-L210 HydrophobicContact CB-CD2 4.39Å; P208-L210 HydrophobicContact CB-CD1 4.4Å; P208-L210 HydrophobicContact CB-CD2 4.2Å; P208-L210 HydrophobicContact CB-CG 3.82Å; P208-L210 HydrophobicContact CG-CD1 3.76Å; P208-L210 HydrophobicContact CG-CD2 4.22Å; P208-L210 HydrophobicContact CG-CG 3.73Å; P208-L210 PolarHBondContact O-N 2.88Å; L210-H212 VanDerWaalsContact C-N 3.25Å; L210-H212 PolarHBondContact O-N 3.24Å; L210-A213 PolarHBondContact O-N 3.47Å; L210-V214 PolarHBondContact O-N 2.93Å; L210-L260 HydrophobicContact CB-CD2 3.96Å; L210-L260 HydrophobicContact CD1-CD2 4.28Å
211	L	97	Very high	89.4	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-64.4	-34.1	177.7	-179.4	58.6	0	0	0	111.9	L195 V214 V215 G231 D232 I258 L260	L195-L211 HydrophobicContact CD2-CD1 4.42Å; L211-V214 PolarHBondContact O-N 3.38Å; L211-V215 HydrophobicContact CD1-CG2 4.09Å; L211-V215 HydrophobicContact CG-CG2 4.36Å; L211-V215 VanDerWaalsContact O-CG2 3.27Å; L211-V215 WeakPolarHBondContact O-CG2 3.42Å; L211-V215 PolarHBondContact O-N 2.92Å; L211-G231 WeakPolarHBondContact CD2-O 3.41Å; L211-D232 WeakPolarHBondContact CB-O 3.38Å; L211-I258 HydrophobicContact CD1-CB 4.01Å; L211-I258 HydrophobicContact CD1-CG2 3.57Å; L211-L260 HydrophobicContact CB-CB 4.38Å; L211-L260 HydrophobicContact CB-CD2 4.2Å
212	H	97.4	Very high	89.5	Confident	37 Å²	37	67.4 Å²	67.4	17%	0.171	36%	0.356	C	S	.	.	H	α-helix	trans	-64.4	-44.9	177.7	-68.5	80.9	0	0	0	111.2	K209 L210 V214 V215 E216 K230 D232	K209-H212 HydrophobicContact CB-CB 4.06Å; K209-H212 WeakPolarHBondContact O-CB 3.49Å; K209-H212 PolarHBondContact O-N 3.05Å; K209-H212 VanDerWaalsContact O-N 3.14Å; L210-H212 VanDerWaalsContact C-N 3.25Å; L210-H212 PolarHBondContact O-N 3.24Å; H212-V214 PolarHBondContact O-N 3.21Å; H212-V215 PolarHBondContact O-N 2.89Å; H212-E216 VanDerWaalsContact O-CB 3.31Å; H212-E216 WeakPolarHBondContact O-CB 3.33Å; H212-E216 VanDerWaalsContact O-CG 3.23Å; H212-E216 WeakPolarHBondContact O-CG 3.42Å; H212-E216 PolarHBondContact O-N 3.29Å; H212-K230 VanDerWaalsContact CD2-CE 3.43Å; H212-K230 WeakPolarHBondContact CD2-CE 3.46Å; H212-D232 IonicContact CE1-OD1 3.36Å; H212-D232 PolarHBondContact CE1-OD1 3.46Å; H212-D232 VanDerWaalsContact CE1-OD1 3.23Å; H212-D232 IonicContact ND1-OD1 3.9Å
213	A	97.4	Very high	89.8	Confident	38 Å²	38	64.6 Å²	64.6	31%	0.314	34%	0.336	S	S	.	.	H	α-helix	trans	-59.8	-44.3	178	0	0	0	0	0	112.1	V169 K209 L210 E216 H217	V169-A213 HydrophobicContact CG1-CB 4.41Å; K209-A213 PolarHBondContact O-N 2.6Å; L210-A213 PolarHBondContact O-N 3.47Å; A213-E216 PolarHBondContact O-N 3.23Å; A213-H217 WeakPolarHBondContact O-CB 3.46Å; A213-H217 PolarHBondContact O-N 3.23Å
214	V	98.3	Very high	90.2	Very high	1 Å²	1	59.3 Å²	59.3	1%	0.006	30%	0.304	C	S	.	.	H	α-helix	trans	-63.4	-45.3	176.3	171.7	0	0	0	0	111.7	L166 V169 Y173 L195 L210 L211 H212 H217 F218	L166-V214 HydrophobicContact CD2-CB 4.34Å; L166-V214 HydrophobicContact CD2-CG1 3.6Å; L166-V214 HydrophobicContact CD2-CG2 3.73Å; V169-V214 HydrophobicContact CG1-CG2 4.44Å; Y173-V214 HydrophobicContact CD1-CG2 4.41Å; Y173-V214 HydrophobicContact CD2-CG2 4.31Å; Y173-V214 HydrophobicContact CE1-CG2 3.97Å; Y173-V214 HydrophobicContact CE2-CG2 3.9Å; L195-V214 HydrophobicContact CD2-CB 4.37Å; L195-V214 HydrophobicContact CD2-CG1 4.48Å; L195-V214 HydrophobicContact CD2-CG2 3.89Å; L210-V214 PolarHBondContact O-N 2.93Å; L211-V214 PolarHBondContact O-N 3.38Å; H212-V214 PolarHBondContact O-N 3.21Å; V214-H217 PolarHBondContact O-N 3.47Å; V214-F218 HydrophobicContact CG1-CD2 4.04Å; V214-F218 HydrophobicContact CG1-CE2 3.67Å; V214-F218 HydrophobicContact CG1-CZ 4Å; V214-F218 WeakPolarHBondContact O-CG 3.49Å; V214-F218 PolarHBondContact O-N 2.67Å
215	V	98.4	Very high	91.3	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-65.2	-45	178.9	171.7	0	0	0	0	111.1	L211 H212 H217 F218 E219 I224 K230 Y235 I258	L211-V215 HydrophobicContact CD1-CG2 4.09Å; L211-V215 HydrophobicContact CG-CG2 4.36Å; L211-V215 VanDerWaalsContact O-CG2 3.27Å; L211-V215 WeakPolarHBondContact O-CG2 3.42Å; L211-V215 PolarHBondContact O-N 2.92Å; H212-V215 PolarHBondContact O-N 2.89Å; V215-H217 VanDerWaalsContact C-N 3.3Å; V215-H217 PolarHBondContact O-N 2.94Å; V215-F218 PolarHBondContact O-N 2.98Å; V215-E219 HydrophobicContact CG1-CG 4.33Å; V215-E219 WeakPolarHBondContact O-CB 3.17Å; V215-E219 VanDerWaalsContact O-CG 3.29Å; V215-E219 WeakPolarHBondContact O-CG 3.27Å; V215-E219 PolarHBondContact O-N 3.12Å; V215-I224 HydrophobicContact CB-CD1 4.48Å; V215-I224 HydrophobicContact CG1-CD1 4.08Å; V215-I224 HydrophobicContact CG2-CD1 4.46Å; V215-K230 HydrophobicContact CG1-CD 4.14Å; V215-Y235 HydrophobicContact CB-CD2 4.48Å; V215-Y235 HydrophobicContact CG1-CD2 3.9Å; V215-Y235 HydrophobicContact CG1-CE2 3.62Å; V215-Y235 HydrophobicContact CG2-CD1 4.11Å; V215-Y235 HydrophobicContact CG2-CD2 3.7Å; V215-Y235 HydrophobicContact CG2-CE2 4.2Å; V215-Y235 HydrophobicContact CG2-CG 3.64Å; V215-I258 HydrophobicContact CG2-CD1 4.33Å
216	E	98.3	Very high	93	Very high	103 Å²	103	50.2 Å²	50.2	48%	0.481	26%	0.263	S	S	.	.	H	α-helix	trans	-61.8	-38.6	178.3	-75.4	165.6	-159.8	0	0	111.5	H212 A213 E219 S220 K230	H212-E216 VanDerWaalsContact O-CB 3.31Å; H212-E216 WeakPolarHBondContact O-CB 3.33Å; H212-E216 VanDerWaalsContact O-CG 3.23Å; H212-E216 WeakPolarHBondContact O-CG 3.42Å; H212-E216 PolarHBondContact O-N 3.29Å; A213-E216 PolarHBondContact O-N 3.23Å; E216-E219 PolarHBondContact O-N 3.49Å; E216-S220 WeakPolarHBondContact O-CB 3.43Å; E216-S220 PolarHBondContact O-N 2.84Å; E216-K230 IonicContact OE1-NZ 3.49Å
217	H	98.4	Very high	94.6	Very high	42 Å²	42	43.3 Å²	43.3	19%	0.194	24%	0.236	C	C	.	.	H	α-helix	trans	-63.4	-50.3	173.8	-176.9	63.8	0	0	0	111.9	E165 V169 A213 V214 V215 E219 S220 I221	E165-H217 IonicContact OE2-CD2 3.31Å; E165-H217 IonicContact OE2-CE1 2.8Å; E165-H217 PolarHBondContact OE2-CE1 3.08Å; E165-H217 IonicContact OE2-NE2 2.65Å; E165-H217 PolarHBondContact OE2-NE2 3.35Å; V169-H217 HydrophobicContact CG2-CB 3.52Å; V169-H217 WeakPolarHBondContact CG2-CD2 3.47Å; A213-H217 WeakPolarHBondContact O-CB 3.46Å; A213-H217 PolarHBondContact O-N 3.23Å; V214-H217 PolarHBondContact O-N 3.47Å; V215-H217 VanDerWaalsContact C-N 3.3Å; V215-H217 PolarHBondContact O-N 2.94Å; H217-E219 VanDerWaalsContact C-N 3.28Å; H217-E219 PolarHBondContact O-N 2.99Å; H217-S220 WeakPolarHBondContact O-CB 3.49Å; H217-S220 PolarHBondContact O-N 3.22Å; H217-S220 PolarHBondContact O-OG 3.47Å; H217-I221 PolarHBondContact O-N 3.43Å; H217-I221 VanDerWaalsContact O-N 3.14Å
218	F	98.6	Very high	96.2	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.009	22%	0.222	C	C	.	.	H	α-helix	trans	-63	-31.5	177.2	-70.9	-14.2	0	0	0	113.4	I162 E165 L166 V214 V215 I221 G222 F223 I224 I258	I162-F218 HydrophobicContact CB-CZ 4.41Å; I162-F218 HydrophobicContact CG1-CZ 4.32Å; I162-F218 HydrophobicContact CG2-CZ 4.07Å; E165-F218 HydrophobicContact CB-CD1 4.23Å; E165-F218 HydrophobicContact CB-CE1 3.63Å; L166-F218 HydrophobicContact CD2-CZ 4.18Å; L166-F218 HydrophobicContact CG-CZ 4.13Å; V214-F218 HydrophobicContact CG1-CD2 4.04Å; V214-F218 HydrophobicContact CG1-CE2 3.67Å; V214-F218 HydrophobicContact CG1-CZ 4Å; V214-F218 WeakPolarHBondContact O-CG 3.49Å; V214-F218 PolarHBondContact O-N 2.67Å; V215-F218 PolarHBondContact O-N 2.98Å; F218-I221 HydrophobicContact CD1-CD1 4.21Å; F218-I221 WeakPolarHBondContact O-CG1 3.45Å; F218-G222 PolarHBondContact O-N 3.07Å; F218-F223 HydrophobicContact CB-CD1 4.28Å; F218-F223 HydrophobicContact CD1-CD1 4.48Å; F218-F223 HydrophobicContact CD2-CD1 4.25Å; F218-F223 HydrophobicContact CG-CD1 4.1Å; F218-F223 PolarHBondContact O-N 2.94Å; F218-I224 HydrophobicContact CB-CB 4.18Å; F218-I224 HydrophobicContact CB-CD1 3.62Å; F218-I224 HydrophobicContact CB-CG1 3.73Å; F218-I224 HydrophobicContact CD2-CD1 3.98Å; F218-I224 HydrophobicContact CD2-CG1 4.46Å; F218-I224 HydrophobicContact CG-CD1 4.34Å; F218-I224 PolarHBondContact O-N 3.18Å; F218-I258 HydrophobicContact CD2-CD1 4.19Å; F218-I258 HydrophobicContact CE2-CD1 4.18Å
219	E	98.4	Very high	97.5	Very high	76 Å²	76	40 Å²	40	36%	0.355	22%	0.222	S	C	.	.	H	α-helix	trans	-66.1	-43.2	169.8	-74.2	169.3	159.2	0	0	110.7	V215 E216 H217 I221 G222 I224 T227	V215-E219 HydrophobicContact CG1-CG 4.33Å; V215-E219 WeakPolarHBondContact O-CB 3.17Å; V215-E219 VanDerWaalsContact O-CG 3.29Å; V215-E219 WeakPolarHBondContact O-CG 3.27Å; V215-E219 PolarHBondContact O-N 3.12Å; E216-E219 PolarHBondContact O-N 3.49Å; H217-E219 VanDerWaalsContact C-N 3.28Å; H217-E219 PolarHBondContact O-N 2.99Å; E219-I221 VanDerWaalsContact C-N 3.32Å; E219-I221 PolarHBondContact O-N 3.48Å; E219-G222 PolarHBondContact O-N 3.38Å; E219-I224 HydrophobicContact CG-CB 3.93Å; E219-I224 HydrophobicContact CG-CG2 3.56Å; E219-T227 PolarHBondContact OE1-OG1 3.21Å
220	S	98.1	Very high	97.8	Very high	91 Å²	91	35.7 Å²	35.7	64%	0.636	20%	0.203	S	C	*	.	H	α-helix	trans	-65.3	-31.3	-177.2	80	0	0	0	0	114.1	E216 H217 G222	E216-S220 WeakPolarHBondContact O-CB 3.43Å; E216-S220 PolarHBondContact O-N 2.84Å; H217-S220 WeakPolarHBondContact O-CB 3.49Å; H217-S220 PolarHBondContact O-N 3.22Å; H217-S220 PolarHBondContact O-OG 3.47Å; S220-G222 VanDerWaalsContact C-N 3.3Å
221	I	97.2	Very high	97.8	Very high	58 Å²	58	36.5 Å²	36.5	30%	0.297	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	3.3	174.9	68.6	174.3	0	0	0	112.7	E165 H217 F218 E219 F223	E165-I221 HydrophobicContact CB-CD1 4.31Å; E165-I221 HydrophobicContact CG-CD1 3.61Å; H217-I221 PolarHBondContact O-N 3.43Å; H217-I221 VanDerWaalsContact O-N 3.14Å; F218-I221 HydrophobicContact CD1-CD1 4.21Å; F218-I221 WeakPolarHBondContact O-CG1 3.45Å; E219-I221 VanDerWaalsContact C-N 3.32Å; E219-I221 PolarHBondContact O-N 3.48Å; I221-F223 HydrophobicContact CD1-CB 3.97Å; I221-F223 HydrophobicContact CG1-CB 3.89Å; I221-F223 PolarHBondContact O-N 3.08Å
222	G	96.9	Very high	97.7	Very high	25 Å²	25	40.7 Å²	40.7	26%	0.258	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	70	12.6	-179.1	0	0	0	0	0	114.8	F218 E219 S220 Q242	F218-G222 PolarHBondContact O-N 3.07Å; E219-G222 PolarHBondContact O-N 3.38Å; S220-G222 VanDerWaalsContact C-N 3.3Å; G222-Q242 PolarHBondContact O-NE2 3.41Å
223	F	98.1	Very high	97.6	Very high	4 Å²	4	40.3 Å²	40.3	2%	0.018	24%	0.238	C	C	.	.	S	Bend	trans	-73.9	-44.5	176.2	178.4	-117.5	0	0	0	111.1	M158 L161 I162 F218 I221 C239 Q240 L241 I256	M158-F223 HydrophobicContact CB-CZ 4.44Å; M158-F223 HydrophobicContact CG-CE2 4.17Å; M158-F223 HydrophobicContact CG-CZ 4.26Å; M158-F223 HydrophobicContact SD-CE2 4.43Å; M158-F223 HydrophobicContact SD-CZ 4.34Å; L161-F223 HydrophobicContact CD2-CB 4.36Å; L161-F223 HydrophobicContact CD2-CD2 3.5Å; L161-F223 HydrophobicContact CD2-CE2 3.92Å; L161-F223 HydrophobicContact CD2-CG 3.93Å; I162-F223 HydrophobicContact CD1-CE1 3.96Å; I162-F223 HydrophobicContact CD1-CZ 3.98Å; I162-F223 HydrophobicContact CG1-CE1 3.71Å; I162-F223 HydrophobicContact CG1-CZ 4.04Å; F218-F223 HydrophobicContact CB-CD1 4.28Å; F218-F223 HydrophobicContact CD1-CD1 4.48Å; F218-F223 HydrophobicContact CD2-CD1 4.25Å; F218-F223 HydrophobicContact CG-CD1 4.1Å; F218-F223 PolarHBondContact O-N 2.94Å; I221-F223 HydrophobicContact CD1-CB 3.97Å; I221-F223 HydrophobicContact CG1-CB 3.89Å; I221-F223 PolarHBondContact O-N 3.08Å; F223-C239 HydrophobicContact CD1-CB 4.26Å; F223-C239 HydrophobicContact CD2-CB 4.3Å; F223-C239 HydrophobicContact CE1-CB 3.92Å; F223-C239 HydrophobicContact CE2-CB 3.96Å; F223-C239 HydrophobicContact CG-CB 4.45Å; F223-C239 HydrophobicContact CZ-CB 3.75Å; F223-C239 CarbonylContact O-C 3.45Å; F223-C239 WeakPolarHBondContact O-CA 3.47Å; F223-C239 WeakPolarHBondContact O-CB 3.4Å; F223-Q240 WeakPolarHBondContact CD2-O 3.41Å; F223-Q240 PolarHBondContact O-N 2.98Å; F223-L241 HydrophobicContact CE2-CD2 4.18Å; F223-I256 HydrophobicContact CE1-CD1 3.95Å
224	I	98.6	Very high	97.6	Very high	7 Å²	7	43.2 Å²	43.2	4%	0.036	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	127.4	167.6	-75.6	176.6	0	0	0	108.8	V215 F218 E219 Y235 V238 I258	V215-I224 HydrophobicContact CB-CD1 4.48Å; V215-I224 HydrophobicContact CG1-CD1 4.08Å; V215-I224 HydrophobicContact CG2-CD1 4.46Å; F218-I224 HydrophobicContact CB-CB 4.18Å; F218-I224 HydrophobicContact CB-CD1 3.62Å; F218-I224 HydrophobicContact CB-CG1 3.73Å; F218-I224 HydrophobicContact CD2-CD1 3.98Å; F218-I224 HydrophobicContact CD2-CG1 4.46Å; F218-I224 HydrophobicContact CG-CD1 4.34Å; F218-I224 PolarHBondContact O-N 3.18Å; E219-I224 HydrophobicContact CG-CB 3.93Å; E219-I224 HydrophobicContact CG-CG2 3.56Å; I224-Y235 HydrophobicContact CD1-CD1 4.37Å; I224-Y235 HydrophobicContact CD1-CE1 3.61Å; I224-Y235 HydrophobicContact CG1-CE1 4.37Å; I224-Y235 WeakPolarHBondContact CG2-OH 3.48Å; I224-V238 WeakPolarHBondContact CA-O 3.45Å; I224-I258 HydrophobicContact CD1-CD1 4.46Å
225	T	98.4	Very high	97.6	Very high	51 Å²	51	43.2 Å²	43.2	31%	0.313	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	-32.3	-174.4	51.8	0	0	0	0	113.5	V238 Q240 H253	T225-V238 PolarHBondContact N-O 3.22Å; T225-V238 PolarHBondContact OG1-O 2.91Å; T225-Q240 HydrophobicContact CG2-CB 4.12Å; T225-H253 PolarHBondContact OG1-CD2 2.66Å
226	D	98.6	Very high	97.6	Very high	32 Å²	32	44.6 Å²	44.6	17%	0.171	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	146.1	176.2	-62.4	-111	0	0	0	111.6	I138 K141 Y142 Y235 G237 V238	I138-D226 HydrophobicContact CD1-CB 3.89Å; I138-D226 HydrophobicContact CG1-CB 4.36Å; I138-D226 HydrophobicContact CG2-CB 4.13Å; K141-D226 IonicContact NZ-OD1 2.7Å; K141-D226 PolarHBondContact NZ-OD1 3.26Å; K141-D226 IonicContact NZ-OD2 3.78Å; K141-D226 PolarHBondContact NZ-OD2 2.86Å; K141-D226 VanDerWaalsContact NZ-OD2 3.13Å; Y142-D226 HydrophobicContact CE2-CB 4.47Å; Y142-D226 VanDerWaalsContact CE2-OD2 3.27Å; Y142-D226 WeakPolarHBondContact CE2-OD2 3.33Å; Y142-D226 PolarHBondContact OH-OD2 3.03Å; D226-Y235 PolarHBondContact O-OH 3.5Å; D226-G237 CarbonylContact O-C 3.43Å; D226-G237 WeakPolarHBondContact O-CA 3.36Å; D226-V238 HydrophobicContact CB-CB 3.99Å; D226-V238 HydrophobicContact CB-CG2 3.86Å; D226-V238 PolarHBondContact O-N 2.94Å
227	T	98.6	Very high	97.6	Very high	34 Å²	34	39.7 Å²	39.7	21%	0.209	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	128.3	175.2	-71.9	0	0	0	0	110.7	H134 I138 E219 K230 Y235	H134-T227 PolarHBondContact CD2-O 3.5Å; H134-T227 VanDerWaalsContact CD2-O 3.29Å; H134-T227 PolarHBondContact NE2-O 3.04Å; I138-T227 WeakPolarHBondContact CD1-O 3.17Å; E219-T227 PolarHBondContact OE1-OG1 3.21Å; T227-K230 HydrophobicContact CG2-CB 4.04Å; T227-Y235 HydrophobicContact CG2-CE2 3.83Å; T227-Y235 WeakPolarHBondContact OG1-CE2 3.41Å; T227-Y235 PolarHBondContact OG1-OH 3.23Å
228	L	97.6	Very high	97.6	Very high	13 Å²	13	37.7 Å²	37.7	7%	0.068	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	-44.1	169	-55.3	-174.3	0	0	0	111.7	T104 H135 I138 M236	T104-L228 HydrophobicContact CG2-CD1 4.39Å; H135-L228 WeakPolarHBondContact NE2-CD1 3.35Å; I138-L228 HydrophobicContact CB-CD2 3.53Å; I138-L228 HydrophobicContact CD1-CD2 3.77Å; I138-L228 HydrophobicContact CG1-CD2 4.26Å; I138-L228 HydrophobicContact CG2-CD2 3.41Å; I138-L228 VanDerWaalsContact CG2-CD2 3.41Å; L228-M236 WeakPolarHBondContact CA-O 3.44Å; L228-M236 HydrophobicContact CB-CB 4.28Å; L228-M236 WeakPolarHBondContact CB-O 3.35Å; L228-M236 PolarHBondContact N-O 3.23Å
229	S	97.6	Very high	97.6	Very high	49 Å²	49	37.6 Å²	37.6	34%	0.343	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	137.9	175.2	67.1	0	0	0	0	110.6	M236	S229-M236 PolarHBondContact N-O 3.38Å; S229-M236 PolarHBondContact O-N 2.54Å
230	K	97.1	Very high	97.6	Very high	71 Å²	71	35.3 Å²	35.3	31%	0.309	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	123.8	178.5	-174	174.7	-172.3	179.4	0	109.1	H212 V215 E216 T227 Y235	H212-K230 VanDerWaalsContact CD2-CE 3.43Å; H212-K230 WeakPolarHBondContact CD2-CE 3.46Å; V215-K230 HydrophobicContact CG1-CD 4.14Å; E216-K230 IonicContact OE1-NZ 3.49Å; T227-K230 HydrophobicContact CG2-CB 4.04Å; K230-Y235 HydrophobicContact CB-CD2 3.99Å; K230-Y235 HydrophobicContact CB-CE2 4.43Å; K230-Y235 HydrophobicContact CD-CD2 4.38Å; K230-Y235 HydrophobicContact CG-CD2 3.99Å
231	G	95.2	Very high	97.5	Very high	33 Å²	33	31.8 Å²	31.8	34%	0.34	18%	0.181	S	C	.	.			trans	-134.3	-177.5	169.2	0	0	0	0	0	110.1	L211 T233 K234	L211-G231 WeakPolarHBondContact CD2-O 3.41Å; G231-T233 VanDerWaalsContact C-N 3.34Å; G231-T233 PolarHBondContact O-N 2.83Å; G231-K234 PolarHBondContact N-O 3.25Å
232	D	94.3	Very high	97	Very high	88 Å²	88	34 Å²	34	47%	0.471	19%	0.19	S	C	.	.	S	Bend	trans	-66.3	-33.4	-171.4	-60.8	-48.3	0	0	0	114	L211 H212	L211-D232 WeakPolarHBondContact CB-O 3.38Å; H212-D232 IonicContact CE1-OD1 3.36Å; H212-D232 PolarHBondContact CE1-OD1 3.46Å; H212-D232 VanDerWaalsContact CE1-OD1 3.23Å; H212-D232 IonicContact ND1-OD1 3.9Å
233	T	95.3	Very high	96.3	Very high	29 Å²	29	36.4 Å²	36.4	18%	0.178	20%	0.195	C	C	.	.	S	Bend	trans	-112	-10.2	-178.3	65.7	0	0	0	0	114.3	Y200 Q207 G231 R259 L260	Y200-T233 WeakPolarHBondContact OH-CG2 3.04Å; Q207-T233 VanDerWaalsContact OE1-CG2 3.3Å; G231-T233 VanDerWaalsContact C-N 3.34Å; G231-T233 PolarHBondContact O-N 2.83Å; T233-R259 WeakPolarHBondContact O-CD 3.45Å; T233-L260 PolarHBondContact O-N 3.08Å
234	K	97.3	Very high	95.2	Very high	99 Å²	99	45 Å²	45	43%	0.43	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	130.1	-173.9	-176.7	-175.5	162.9	-170	0	111.1	G231 M236 I258	G231-K234 PolarHBondContact N-O 3.25Å; K234-M236 VanDerWaalsContact CE-CG 3.43Å; K234-M236 WeakPolarHBondContact CE-SD 3.29Å; K234-M236 PolarHBondContact NZ-SD 2.89Å; K234-I258 WeakPolarHBondContact CA-O 3.36Å
235	Y	98.6	Very high	93.9	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	139.3	171.8	175.6	-99.2	0	0	0	109.5	V215 I224 D226 T227 K230 I256 D257 I258	V215-Y235 HydrophobicContact CB-CD2 4.48Å; V215-Y235 HydrophobicContact CG1-CD2 3.9Å; V215-Y235 HydrophobicContact CG1-CE2 3.62Å; V215-Y235 HydrophobicContact CG2-CD1 4.11Å; V215-Y235 HydrophobicContact CG2-CD2 3.7Å; V215-Y235 HydrophobicContact CG2-CE2 4.2Å; V215-Y235 HydrophobicContact CG2-CG 3.64Å; I224-Y235 HydrophobicContact CD1-CD1 4.37Å; I224-Y235 HydrophobicContact CD1-CE1 3.61Å; I224-Y235 HydrophobicContact CG1-CE1 4.37Å; I224-Y235 WeakPolarHBondContact CG2-OH 3.48Å; D226-Y235 PolarHBondContact O-OH 3.5Å; T227-Y235 HydrophobicContact CG2-CE2 3.83Å; T227-Y235 WeakPolarHBondContact OG1-CE2 3.41Å; T227-Y235 PolarHBondContact OG1-OH 3.23Å; K230-Y235 HydrophobicContact CB-CD2 3.99Å; K230-Y235 HydrophobicContact CB-CE2 4.43Å; K230-Y235 HydrophobicContact CD-CD2 4.38Å; K230-Y235 HydrophobicContact CG-CD2 3.99Å; Y235-I256 HydrophobicContact CE1-CG2 4.19Å; Y235-D257 WeakPolarHBondContact O-CA 3.36Å; Y235-I258 HydrophobicContact CD1-CB 4.49Å; Y235-I258 HydrophobicContact CD1-CD1 4Å; Y235-I258 HydrophobicContact CD1-CG1 4.02Å; Y235-I258 PolarHBondContact N-O 3.27Å; Y235-I258 PolarHBondContact O-N 2.78Å
236	M	98.6	Very high	92.6	Very high	30 Å²	30	56.3 Å²	56.3	15%	0.148	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	123.6	169.3	-57.1	-180	56.7	0	0	107.5	L228 S229 K234 R255 D257	L228-M236 WeakPolarHBondContact CA-O 3.44Å; L228-M236 HydrophobicContact CB-CB 4.28Å; L228-M236 WeakPolarHBondContact CB-O 3.35Å; L228-M236 PolarHBondContact N-O 3.23Å; S229-M236 PolarHBondContact N-O 3.38Å; S229-M236 PolarHBondContact O-N 2.54Å; K234-M236 VanDerWaalsContact CE-CG 3.43Å; K234-M236 WeakPolarHBondContact CE-SD 3.29Å; K234-M236 PolarHBondContact NZ-SD 2.89Å; M236-R255 VanDerWaalsContact CE-NH2 3.26Å; M236-D257 WeakPolarHBondContact CA-OD1 3.43Å; M236-D257 WeakPolarHBondContact CB-OD1 3.44Å; M236-D257 VanDerWaalsContact CG-OD1 3.24Å; M236-D257 WeakPolarHBondContact CG-OD1 3.46Å
237	G	98.6	Very high	91.3	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	-157.7	-178.6	0	0	0	0	0	114.9	D226 R255 I256	D226-G237 CarbonylContact O-C 3.43Å; D226-G237 WeakPolarHBondContact O-CA 3.36Å; G237-R255 PolarHBondContact O-NH1 3.14Å; G237-I256 VanDerWaalsContact C-CG2 3.45Å; G237-I256 PolarHBondContact N-O 3.22Å; G237-I256 PolarHBondContact O-N 3.36Å; G237-I256 VanDerWaalsContact O-N 3.08Å
238	V	98.8	Very high	90.2	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	135.9	-178.6	-169.4	0	0	0	0	107.6	I138 Y142 F146 I224 T225 D226 H253 R254	I138-V238 HydrophobicContact CG2-CG2 3.78Å; Y142-V238 HydrophobicContact CD2-CG1 4.26Å; Y142-V238 HydrophobicContact CD2-CG2 4.25Å; Y142-V238 HydrophobicContact CE2-CG1 4.11Å; Y142-V238 HydrophobicContact CE2-CG2 4.3Å; F146-V238 HydrophobicContact CE1-CG1 4.02Å; F146-V238 HydrophobicContact CE1-CG2 4.31Å; F146-V238 HydrophobicContact CZ-CG1 4.15Å; F146-V238 HydrophobicContact CZ-CG2 3.65Å; I224-V238 WeakPolarHBondContact CA-O 3.45Å; T225-V238 PolarHBondContact N-O 3.22Å; T225-V238 PolarHBondContact OG1-O 2.91Å; D226-V238 HydrophobicContact CB-CB 3.99Å; D226-V238 HydrophobicContact CB-CG2 3.86Å; D226-V238 PolarHBondContact O-N 2.94Å; V238-H253 HydrophobicContact CG1-CB 3.69Å; V238-R254 CarbonylContact C-O 3.55Å; V238-R254 VanDerWaalsContact CA-O 3.29Å; V238-R254 WeakPolarHBondContact CA-O 3.48Å
239	C	98.6	Very high	89.2	Confident	0 Å²	0	73 Å²	73	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	158.9	173.8	66.8	0	0	0	0	111	F223 R254 I256	F223-C239 HydrophobicContact CD1-CB 4.26Å; F223-C239 HydrophobicContact CD2-CB 4.3Å; F223-C239 HydrophobicContact CE1-CB 3.92Å; F223-C239 HydrophobicContact CE2-CB 3.96Å; F223-C239 HydrophobicContact CG-CB 4.45Å; F223-C239 HydrophobicContact CZ-CB 3.75Å; F223-C239 CarbonylContact O-C 3.45Å; F223-C239 WeakPolarHBondContact O-CA 3.47Å; F223-C239 WeakPolarHBondContact O-CB 3.4Å; C239-R254 PolarHBondContact N-O 2.85Å; C239-R254 PolarHBondContact O-N 3.45Å; C239-I256 HydrophobicContact CB-CB 4.26Å; C239-I256 HydrophobicContact CB-CD1 4.3Å; C239-I256 HydrophobicContact CB-CG2 3.86Å
240	Q	97.8	Very high	88.6	Confident	28 Å²	28	77.3 Å²	77.3	13%	0.131	38%	0.379	C	S	.	.			trans	-144	134.4	176.3	-165.9	-176.4	22.7	0	0	108.3	F223 T225 Y251 H253	F223-Q240 WeakPolarHBondContact CD2-O 3.41Å; F223-Q240 PolarHBondContact O-N 2.98Å; T225-Q240 HydrophobicContact CG2-CB 4.12Å; Q240-Y251 WeakPolarHBondContact CG-O 3.24Å; Q240-Y251 PolarHBondContact NE2-O 2.83Å; Q240-H253 PolarHBondContact NE2-CE1 3.29Å; Q240-H253 PolarHBondContact OE1-CE1 2.88Å
241	L	95.1	Very high	88.4	Confident	16 Å²	16	76 Å²	76	8%	0.084	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-70.5	132.3	167.6	-78.9	176.3	0	0	0	108.8	E154 K157 M158 L161 F223 Y251	E154-L241 HydrophobicContact CG-CD1 3.89Å; K157-L241 HydrophobicContact CB-CD1 3.76Å; K157-L241 HydrophobicContact CD-CD1 4.37Å; M158-L241 HydrophobicContact CG-CD1 3.75Å; M158-L241 HydrophobicContact CG-CD2 3.72Å; M158-L241 HydrophobicContact CG-CG 3.57Å; L161-L241 HydrophobicContact CD2-CD2 3.95Å; F223-L241 HydrophobicContact CE2-CD2 4.18Å; L241-Y251 HydrophobicContact CB-CD1 4.16Å; L241-Y251 HydrophobicContact CB-CD2 3.62Å; L241-Y251 HydrophobicContact CB-CE2 4.13Å; L241-Y251 HydrophobicContact CB-CG 3.66Å; L241-Y251 HydrophobicContact CD1-CD1 4.15Å; L241-Y251 HydrophobicContact CD1-CE1 4.09Å; L241-Y251 HydrophobicContact CD1-CG 4.48Å; L241-Y251 WeakPolarHBondContact O-CD2 3.38Å
242	Q	88.6	Confident	88.5	Confident	106 Å²	106	76.4 Å²	76.4	50%	0.495	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-72.6	143.7	174.4	-62.4	-62.2	-32.7	0	0	110	G222	G222-Q242 PolarHBondContact O-NE2 3.41Å
243	Q	82	Confident	88.7	Confident	74 Å²	74	73.5 Å²	73.5	35%	0.346	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-65.3	149.3	171.2	-72.7	172.1	-28.2	0	0	110.3	E248 E250	Q243-E248 PolarHBondContact NE2-O 3.07Å; Q243-E250 VanDerWaalsContact NE2-CA 3.33Å
244	K	73.8	Confident	88.8	Confident	185 Å²	185	72.7 Å²	72.7	80%	0.804	34%	0.344	S	S	*	.	S	Bend	trans	-96	-33.4	171.1	-68.7	-170.9	176.7	-171.9	0	112.3
245	D	72.9	Confident	88.9	Confident	104 Å²	104	69 Å²	69	56%	0.556	33%	0.327	S	S	*	.	S	Bend	trans	-131.2	146.4	-177.1	-60.2	-52.7	0	0	0	110.2	D247 E248	D245-D247 PolarHBondContact O-N 2.8Å; D245-E248 HydrophobicContact CB-CG 4.38Å; D245-E248 PolarHBondContact O-N 3.25Å
246	E	70.6	Confident	88.9	Confident	192 Å²	192	69 Å²	69	90%	0.897	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-18.6	-177.1	-65.4	-179.5	173.8	0	0	113.6
247	D	70.1	Confident	88.9	Confident	168 Å²	168	68.8 Å²	68.8	90%	0.898	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-3.1	-178.8	-66.3	-43.6	0	0	0	113.8	D245	D245-D247 PolarHBondContact O-N 2.8Å
248	E	75.4	Confident	88.9	Confident	77 Å²	77	68.9 Å²	68.9	36%	0.36	33%	0.327	S	S	.	.	S	Bend	trans	-81.3	141.8	175.9	-72	-166.9	156.5	0	0	111.6	Q243 D245 E250	Q243-E248 PolarHBondContact NE2-O 3.07Å; D245-E248 HydrophobicContact CB-CG 4.38Å; D245-E248 PolarHBondContact O-N 3.25Å; E248-E250 PolarHBondContact O-N 3.07Å
249	E	77.8	Confident	88.9	Confident	183 Å²	183	69.9 Å²	69.9	86%	0.855	33%	0.331	S	S	*	.	P	Polyproline II helix	trans	-58.8	135.3	170	-71.7	-173.2	168.2	0	0	110.6	Y251	E249-Y251 PolarHBondContact O-N 2.83Å
250	E	84.4	Confident	88.9	Confident	141 Å²	141	70 Å²	70	66%	0.659	33%	0.331	S	S	*	.	P	Polyproline II helix	trans	-57.2	132.7	176.4	-80.5	-174.6	175.3	0	0	110.8	Q243 E248	Q243-E250 VanDerWaalsContact NE2-CA 3.33Å; E248-E250 PolarHBondContact O-N 3.07Å
251	Y	93.2	Very high	88.9	Confident	42 Å²	42	68.6 Å²	68.6	17%	0.165	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-64.5	144.9	169	-69.6	-83.8	0	0	0	109.7	E154 K157 Q240 L241 E249	E154-Y251 HydrophobicContact CG-CD1 4.04Å; E154-Y251 HydrophobicContact CG-CE1 4.19Å; K157-Y251 PolarHBondContact NZ-OH 3.39Å; Q240-Y251 WeakPolarHBondContact CG-O 3.24Å; Q240-Y251 PolarHBondContact NE2-O 2.83Å; L241-Y251 HydrophobicContact CB-CD1 4.16Å; L241-Y251 HydrophobicContact CB-CD2 3.62Å; L241-Y251 HydrophobicContact CB-CE2 4.13Å; L241-Y251 HydrophobicContact CB-CG 3.66Å; L241-Y251 HydrophobicContact CD1-CD1 4.15Å; L241-Y251 HydrophobicContact CD1-CE1 4.09Å; L241-Y251 HydrophobicContact CD1-CG 4.48Å; L241-Y251 WeakPolarHBondContact O-CD2 3.38Å; E249-Y251 PolarHBondContact O-N 2.83Å
252	L	96.8	Very high	88.9	Confident	43 Å²	43	68.1 Å²	68.1	23%	0.225	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-75.5	151.9	176.7	-55.8	171	0	0	0	110.8	E145 K148 R254	E145-L252 HydrophobicContact CB-CB 4.47Å; E145-L252 HydrophobicContact CG-CD2 4.2Å; E145-L252 VanDerWaalsContact OE2-CA 3.22Å; E145-L252 WeakPolarHBondContact OE2-CA 3.33Å; E145-L252 WeakPolarHBondContact OE2-CB 3.41Å; K148-L252 HydrophobicContact CB-CD1 4.02Å; K148-L252 HydrophobicContact CD-CD1 3.29Å; K148-L252 HydrophobicContact CG-CD1 4.3Å; L252-R254 WeakPolarHBondContact O-CD 3.4Å; L252-R254 WeakPolarHBondContact O-CG 3.48Å; L252-R254 PolarHBondContact O-N 3.41Å
253	H	98.4	Very high	89.3	Confident	26 Å²	26	66.7 Å²	66.7	12%	0.12	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-63.2	123.8	167.8	-71.8	78.4	0	0	0	110.4	Y142 E145 T225 V238 Q240	Y142-H253 HydrophobicContact CD1-CB 3.67Å; Y142-H253 AromaticContact CD1-CG 3.7Å; Y142-H253 HydrophobicContact CE1-CB 3.75Å; Y142-H253 AromaticContact CE1-CD2 3.33Å; Y142-H253 WeakPolarHBondContact CE1-CD2 3.48Å; Y142-H253 AromaticContact CE1-CE1 3.69Å; Y142-H253 AromaticContact CE1-CG 3.23Å; Y142-H253 AromaticContact CE1-ND1 3.45Å; Y142-H253 WeakPolarHBondContact CE1-ND1 3.35Å; Y142-H253 AromaticContact CE1-NE2 3.59Å; Y142-H253 HydrophobicContact CG-CB 4.18Å; Y142-H253 AromaticContact CZ-CD2 3.28Å; Y142-H253 AromaticContact CZ-CG 3.7Å; Y142-H253 AromaticContact CZ-NE2 3.58Å; Y142-H253 PolarHBondContact OH-CD2 2.69Å; Y142-H253 PolarHBondContact OH-NE2 3.38Å; E145-H253 IonicContact OE1-ND1 3.02Å; E145-H253 IonicContact OE2-CG 3.54Å; E145-H253 PolarHBondContact OE2-N 2.9Å; E145-H253 IonicContact OE2-ND1 2.75Å; E145-H253 PolarHBondContact OE2-ND1 3.44Å; T225-H253 PolarHBondContact OG1-CD2 2.66Å; V238-H253 HydrophobicContact CG1-CB 3.69Å; Q240-H253 PolarHBondContact NE2-CE1 3.29Å; Q240-H253 PolarHBondContact OE1-CE1 2.88Å
254	R	98.5	Very high	90	Very high	12 Å²	12	67 Å²	67	5%	0.045	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	146.8	-177.2	-53.7	-45.2	-166.6	170.5	0.8	110.6	K148 I150 E154 V238 C239 L252	K148-R254 PolarHBondContact O-NH1 3.05Å; I150-R254 HydrophobicContact CD1-CB 3.81Å; I150-R254 HydrophobicContact CD1-CG 3.82Å; I150-R254 HydrophobicContact CG1-CG 4.18Å; E154-R254 IonicContact OE1-CZ 3.13Å; E154-R254 IonicContact OE1-NE 3.97Å; E154-R254 PolarHBondContact OE1-NE 3.29Å; E154-R254 IonicContact OE1-NH2 2.94Å; E154-R254 PolarHBondContact OE1-NH2 3.22Å; E154-R254 IonicContact OE2-CZ 3.82Å; E154-R254 IonicContact OE2-NE 2.77Å; E154-R254 IonicContact OE2-NH2 3.24Å; E154-R254 PolarHBondContact OE2-NH2 3.11Å; V238-R254 CarbonylContact C-O 3.55Å; V238-R254 VanDerWaalsContact CA-O 3.29Å; V238-R254 WeakPolarHBondContact CA-O 3.48Å; C239-R254 PolarHBondContact N-O 2.85Å; C239-R254 PolarHBondContact O-N 3.45Å; L252-R254 WeakPolarHBondContact O-CD 3.4Å; L252-R254 WeakPolarHBondContact O-CG 3.48Å; L252-R254 PolarHBondContact O-N 3.41Å
255	R	98.6	Very high	91.2	Very high	23 Å²	23	59.4 Å²	59.4	9%	0.087	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	133.8	170.1	-80.5	-74.6	-61.6	127.8	12.6	109.7	F146 D190 I191 M236 G237 D257	F146-R255 HydrophobicContact CD1-CG 3.82Å; F146-R255 HydrophobicContact CD2-CG 4.01Å; F146-R255 HydrophobicContact CE1-CG 3.83Å; F146-R255 HydrophobicContact CE2-CG 4.03Å; F146-R255 HydrophobicContact CG-CG 3.92Å; F146-R255 HydrophobicContact CZ-CG 3.94Å; D190-R255 WeakPolarHBondContact CA-O 3.41Å; D190-R255 HydrophobicContact CB-CB 3.74Å; D190-R255 VanDerWaalsContact CB-O 3.27Å; D190-R255 WeakPolarHBondContact CB-O 3.4Å; I191-R255 WeakPolarHBondContact CG2-O 3.47Å; I191-R255 PolarHBondContact N-O 3.42Å; M236-R255 VanDerWaalsContact CE-NH2 3.26Å; G237-R255 PolarHBondContact O-NH1 3.14Å; R255-D257 IonicContact CZ-OD1 3.87Å; R255-D257 IonicContact NH1-OD1 3.23Å; R255-D257 IonicContact NH2-OD1 3.96Å; R255-D257 PolarHBondContact NH2-OD1 2.91Å; R255-D257 IonicContact NH2-OD2 3.67Å; R255-D257 PolarHBondContact NH2-OD2 3.29Å
256	I	98.8	Very high	92.4	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	133.8	176.2	176.4	158.8	0	0	0	110.2	I191 I193 F223 Y235 G237 C239 I258	I191-I256 HydrophobicContact CG2-CB 3.51Å; I191-I256 HydrophobicContact CG2-CD1 3.94Å; I191-I256 HydrophobicContact CG2-CG1 3.7Å; I191-I256 WeakPolarHBondContact O-CA 3.37Å; I193-I256 HydrophobicContact CD1-CD1 3.64Å; I193-I256 HydrophobicContact CD1-CG1 4.23Å; F223-I256 HydrophobicContact CE1-CD1 3.95Å; Y235-I256 HydrophobicContact CE1-CG2 4.19Å; G237-I256 VanDerWaalsContact C-CG2 3.45Å; G237-I256 PolarHBondContact N-O 3.22Å; G237-I256 PolarHBondContact O-N 3.36Å; G237-I256 VanDerWaalsContact O-N 3.08Å; C239-I256 HydrophobicContact CB-CB 4.26Å; C239-I256 HydrophobicContact CB-CD1 4.3Å; C239-I256 HydrophobicContact CB-CG2 3.86Å; I256-I258 HydrophobicContact CD1-CD1 4.28Å; I256-I258 HydrophobicContact CD1-CG1 4.27Å; I256-I258 HydrophobicContact CG1-CD1 4.48Å; I256-I258 HydrophobicContact CG1-CG1 4.01Å
257	D	98.7	Very high	93.8	Very high	25 Å²	25	51.7 Å²	51.7	13%	0.134	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	124.5	172.7	-72.8	-24.2	0	0	0	109.4	I191 D192 I193 Y235 M236 R255 F273	I191-D257 PolarHBondContact O-N 3.42Å; D192-D257 CarbonylContact C-O 3.01Å; I193-D257 PolarHBondContact N-O 3.16Å; Y235-D257 WeakPolarHBondContact O-CA 3.36Å; M236-D257 WeakPolarHBondContact CA-OD1 3.43Å; M236-D257 WeakPolarHBondContact CB-OD1 3.44Å; M236-D257 VanDerWaalsContact CG-OD1 3.24Å; M236-D257 WeakPolarHBondContact CG-OD1 3.46Å; R255-D257 IonicContact CZ-OD1 3.87Å; R255-D257 IonicContact NH1-OD1 3.23Å; R255-D257 IonicContact NH2-OD1 3.96Å; R255-D257 PolarHBondContact NH2-OD1 2.91Å; R255-D257 IonicContact NH2-OD2 3.67Å; R255-D257 PolarHBondContact NH2-OD2 3.29Å; D257-F273 HydrophobicContact CB-CZ 4.16Å
258	I	98.8	Very high	95.1	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.01	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	128.4	177.6	-47.1	177.4	0	0	0	108.2	I193 L195 L211 V215 F218 I224 K234 Y235 I256	I193-I258 HydrophobicContact CB-CB 4.49Å; I193-I258 HydrophobicContact CB-CG1 4.26Å; I193-I258 HydrophobicContact CB-CG2 4.24Å; I193-I258 HydrophobicContact CD1-CD1 4.36Å; I193-I258 HydrophobicContact CD1-CG1 4.07Å; I193-I258 HydrophobicContact CG1-CG1 4.43Å; I193-I258 HydrophobicContact CG2-CG2 4.45Å; I193-I258 CarbonylContact O-C 3.49Å; I193-I258 WeakPolarHBondContact O-CA 3.45Å; L195-I258 HydrophobicContact CB-CG2 4.24Å; L195-I258 HydrophobicContact CD2-CG2 4.45Å; L211-I258 HydrophobicContact CD1-CB 4.01Å; L211-I258 HydrophobicContact CD1-CG2 3.57Å; V215-I258 HydrophobicContact CG2-CD1 4.33Å; F218-I258 HydrophobicContact CD2-CD1 4.19Å; F218-I258 HydrophobicContact CE2-CD1 4.18Å; I224-I258 HydrophobicContact CD1-CD1 4.46Å; K234-I258 WeakPolarHBondContact CA-O 3.36Å; Y235-I258 HydrophobicContact CD1-CB 4.49Å; Y235-I258 HydrophobicContact CD1-CD1 4Å; Y235-I258 HydrophobicContact CD1-CG1 4.02Å; Y235-I258 PolarHBondContact N-O 3.27Å; Y235-I258 PolarHBondContact O-N 2.78Å; I256-I258 HydrophobicContact CD1-CD1 4.28Å; I256-I258 HydrophobicContact CD1-CG1 4.27Å; I256-I258 HydrophobicContact CG1-CD1 4.48Å; I256-I258 HydrophobicContact CG1-CG1 4.01Å
259	R	98.4	Very high	96.3	Very high	21 Å²	21	40.2 Å²	40.2	8%	0.079	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	109.6	-179.8	-176.9	67	-178.4	-87.9	7.6	110	I193 L194 L195 T233 I261 F273 E296 Y297	I193-R259 PolarHBondContact O-N 2.81Å; L194-R259 HydrophobicContact CD1-CB 4.43Å; L194-R259 HydrophobicContact CD1-CG 4.4Å; L195-R259 PolarHBondContact N-O 2.88Å; T233-R259 WeakPolarHBondContact O-CD 3.45Å; R259-I261 HydrophobicContact CG-CD1 4.44Å; R259-I261 HydrophobicContact CG-CG1 4.05Å; R259-F273 HydrophobicContact CB-CD2 4.18Å; R259-F273 HydrophobicContact CB-CE2 3.74Å; R259-F273 HydrophobicContact CB-CZ 4.22Å; R259-E296 IonicContact CZ-OE1 3.26Å; R259-E296 IonicContact NH1-OE1 2.77Å; R259-E296 PolarHBondContact NH1-OE1 3.38Å; R259-E296 IonicContact NH2-OE1 3.45Å; R259-E296 PolarHBondContact NH2-OE1 3.41Å; R259-Y297 PolarHBondContact NH2-OH 3.38Å
260	L	97.9	Very high	97.3	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	122.6	169	179.4	65.6	0	0	0	109.2	L195 Y200 L210 L211 T233	L195-L260 HydrophobicContact CB-CD1 4.34Å; L195-L260 HydrophobicContact CD2-CD1 4.25Å; L195-L260 HydrophobicContact CG-CD1 4.2Å; L195-L260 WeakPolarHBondContact O-CA 3.45Å; Y200-L260 HydrophobicContact CD1-CD1 3.9Å; Y200-L260 HydrophobicContact CD1-CD2 3.9Å; Y200-L260 HydrophobicContact CD1-CG 3.57Å; Y200-L260 HydrophobicContact CE1-CD1 4.49Å; Y200-L260 HydrophobicContact CE1-CD2 4.16Å; Y200-L260 HydrophobicContact CE1-CG 3.74Å; Y200-L260 HydrophobicContact CG-CD2 4.47Å; L210-L260 HydrophobicContact CB-CD2 3.96Å; L210-L260 HydrophobicContact CD1-CD2 4.28Å; L211-L260 HydrophobicContact CB-CB 4.38Å; L211-L260 HydrophobicContact CB-CD2 4.2Å; T233-L260 PolarHBondContact O-N 3.08Å
261	I	97.3	Very high	97.9	Very high	0 Å²	0	25 Å²	25	0%	0	11%	0.112	C	C	.	.			trans	-119.1	145.1	177.6	-81.8	-63.7	0	0	0	109.2	L194 L195 Y200 R259 K263 Q265 E296 Y297	L194-I261 HydrophobicContact CD1-CB 4.16Å; L194-I261 HydrophobicContact CD1-CG1 3.71Å; L195-I261 PolarHBondContact O-N 2.97Å; Y200-I261 VanDerWaalsContact CE1-C 3.42Å; R259-I261 HydrophobicContact CG-CD1 4.44Å; R259-I261 HydrophobicContact CG-CG1 4.05Å; I261-K263 PolarHBondContact O-N 3.26Å; I261-Q265 HydrophobicContact CG2-CB 4.28Å; I261-E296 HydrophobicContact CD1-CG 4.16Å; I261-Y297 HydrophobicContact CD1-CD1 3.75Å; I261-Y297 HydrophobicContact CD1-CE1 3.39Å
262	P	96.6	Very high	98.2	Very high	5 Å²	5	26.6 Å²	26.6	3%	0.032	12%	0.119	C	C	.	.			trans	-52.2	131	171.1	-28.4	36.8	0	0	0	111.2	Y200 D264 Q265 Y266	Y200-P262 HydrophobicContact CD1-CG 4.42Å; Y200-P262 HydrophobicContact CE1-CB 4.4Å; Y200-P262 VanDerWaalsContact CE1-CD 3.47Å; Y200-P262 HydrophobicContact CE1-CG 3.76Å; Y200-P262 VanDerWaalsContact CE1-N 3.26Å; Y200-P262 HydrophobicContact CE2-CG 4.26Å; Y200-P262 CarbonylContact O-C 3.54Å; Y200-P262 WeakPolarHBondContact O-CA 3.43Å; P262-D264 VanDerWaalsContact C-N 3.26Å; P262-D264 WeakPolarHBondContact CB-OD1 3.43Å; P262-D264 PolarHBondContact O-N 3.36Å; P262-Q265 HydrophobicContact CB-CB 4.2Å; P262-Q265 HydrophobicContact CB-CG 4.24Å; P262-Q265 WeakPolarHBondContact O-CA 3.38Å; P262-Q265 PolarHBondContact O-N 3.32Å; P262-Y266 PolarHBondContact O-N 2.85Å
263	K	96.9	Very high	98.3	Very high	76 Å²	76	25.8 Å²	25.8	33%	0.33	11%	0.113	S	C	.	.	G	3₁₀ helix	trans	-57.3	-40.2	-171.7	-175.4	-179.1	178.4	75.3	0	112.6	I174 P198 Y200 I261 Q265 Y266	I174-K263 VanDerWaalsContact CD1-NZ 3.31Å; P198-K263 HydrophobicContact CB-CD 4.14Å; Y200-K263 PolarHBondContact O-N 3.07Å; I261-K263 PolarHBondContact O-N 3.26Å; K263-Q265 PolarHBondContact O-N 3.42Å; K263-Y266 WeakPolarHBondContact O-CB 3.38Å; K263-Y266 PolarHBondContact O-N 2.87Å
264	D	97.1	Very high	98.3	Very high	80 Å²	80	24.5 Å²	24.5	43%	0.428	11%	0.108	S	C	.	.	G	3₁₀ helix	trans	-69.8	-8.9	177.5	61.5	-55	0	0	0	113.9	T201 S202 P262	T201-D264 WeakPolarHBondContact CA-OD1 3.33Å; T201-D264 WeakPolarHBondContact CB-OD1 3.44Å; S202-D264 WeakPolarHBondContact CB-OD2 3.49Å; S202-D264 PolarHBondContact N-OD1 3.36Å; S202-D264 PolarHBondContact N-OD2 3.36Å; S202-D264 PolarHBondContact OG-OD2 3.17Å; P262-D264 VanDerWaalsContact C-N 3.26Å; P262-D264 WeakPolarHBondContact CB-OD1 3.43Å; P262-D264 PolarHBondContact O-N 3.36Å
265	Q	98.1	Very high	98.2	Very high	27 Å²	27	24.1 Å²	24.1	13%	0.126	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-110.9	13.5	177.4	-65.3	179.3	-16.2	0	0	112.6	I261 P262 K263 Y267 C268 G269 Y297	I261-Q265 HydrophobicContact CG2-CB 4.28Å; P262-Q265 HydrophobicContact CB-CB 4.2Å; P262-Q265 HydrophobicContact CB-CG 4.24Å; P262-Q265 WeakPolarHBondContact O-CA 3.38Å; P262-Q265 PolarHBondContact O-N 3.32Å; K263-Q265 PolarHBondContact O-N 3.42Å; Q265-Y267 VanDerWaalsContact C-N 3.29Å; Q265-Y267 PolarHBondContact O-N 3.38Å; Q265-C268 PolarHBondContact O-N 2.58Å; Q265-G269 PolarHBondContact O-N 3.46Å; Q265-G269 VanDerWaalsContact O-N 3.1Å; Q265-Y297 WeakPolarHBondContact CB-O 3.43Å; Q265-Y297 VanDerWaalsContact CG-O 3.3Å; Q265-Y297 WeakPolarHBondContact CG-O 3.36Å; Q265-Y297 VanDerWaalsContact OE1-CD1 3.25Å
266	Y	98.8	Very high	98.2	Very high	55 Å²	55	23.3 Å²	23.3	22%	0.216	11%	0.105	C	C	.	.	H	α-helix	trans	-48.3	-46.6	-176.3	173.4	-98.8	0	0	0	113.2	T176 L194 T196 P262 K263 C268 G269 V270	T176-Y266 PolarHBondContact OG1-OH 2.77Å; L194-Y266 HydrophobicContact CD2-CD2 3.89Å; L194-Y266 HydrophobicContact CD2-CE2 3.83Å; T196-Y266 HydrophobicContact CG2-CD2 3.91Å; P262-Y266 PolarHBondContact O-N 2.85Å; K263-Y266 WeakPolarHBondContact O-CB 3.38Å; K263-Y266 PolarHBondContact O-N 2.87Å; Y266-C268 PolarHBondContact O-N 3.07Å; Y266-G269 CarbonylContact O-C 3.58Å; Y266-G269 WeakPolarHBondContact O-CA 3.22Å; Y266-G269 PolarHBondContact O-N 2.93Å; Y266-G269 VanDerWaalsContact O-N 3.1Å; Y266-V270 HydrophobicContact CD1-CG1 4.28Å; Y266-V270 HydrophobicContact CE1-CB 4.2Å; Y266-V270 HydrophobicContact CE1-CG1 3.91Å; Y266-V270 HydrophobicContact CE2-CB 4.3Å; Y266-V270 WeakPolarHBondContact O-CG1 3.12Å; Y266-V270 PolarHBondContact O-N 3.32Å
267	Y	98.9	Very high	97.9	Very high	79 Å²	79	25.4 Å²	25.4	31%	0.31	12%	0.116	S	C	.	.	H	α-helix	trans	-66.1	-36	-174.6	-64.1	-63.5	0	0	0	113.6	Q265 L271 V314 D315 E317	Q265-Y267 VanDerWaalsContact C-N 3.29Å; Q265-Y267 PolarHBondContact O-N 3.38Å; Y267-L271 VanDerWaalsContact O-CB 3.24Å; Y267-L271 WeakPolarHBondContact O-CB 3.38Å; Y267-L271 PolarHBondContact O-N 2.98Å; Y267-L271 VanDerWaalsContact O-N 3.15Å; Y267-V314 HydrophobicContact CD2-CG1 4.4Å; Y267-V314 HydrophobicContact CG-CG1 4.38Å; Y267-D315 VanDerWaalsContact CD2-C 3.44Å; Y267-D315 WeakPolarHBondContact CE2-O 3.21Å; Y267-D315 PolarHBondContact OH-O 3.09Å; Y267-E317 HydrophobicContact CD1-CG 4.31Å
268	C	98.8	Very high	97.7	Very high	4 Å²	4	24.6 Å²	24.6	3%	0.027	11%	0.112	C	C	.	.	H	α-helix	trans	-69.9	-39.1	172	-69.7	0	0	0	0	111.1	Q265 Y266 Y272 E296 Y297	Q265-C268 PolarHBondContact O-N 2.58Å; Y266-C268 PolarHBondContact O-N 3.07Å; C268-Y272 WeakPolarHBondContact O-CB 3.39Å; C268-Y272 PolarHBondContact O-N 3.38Å; C268-E296 CarbonylContact C-O 3.55Å; C268-E296 VanDerWaalsContact C-O 3.29Å; C268-Y297 VanDerWaalsContact CB-C 3.48Å; C268-Y297 WeakPolarHBondContact CB-O 3.33Å
269	G	98.7	Very high	97.6	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-65	-48.6	179	0	0	0	0	0	112.9	Q265 Y266 Y272 F273 E296	Q265-G269 PolarHBondContact O-N 3.46Å; Q265-G269 VanDerWaalsContact O-N 3.1Å; Y266-G269 CarbonylContact O-C 3.58Å; Y266-G269 WeakPolarHBondContact O-CA 3.22Å; Y266-G269 PolarHBondContact O-N 2.93Å; Y266-G269 VanDerWaalsContact O-N 3.1Å; G269-Y272 WeakPolarHBondContact O-CB 3.44Å; G269-Y272 PolarHBondContact O-N 3.26Å; G269-F273 WeakPolarHBondContact O-CB 3.19Å; G269-F273 PolarHBondContact O-N 2.77Å; G269-E296 WeakPolarHBondContact CA-O 3.42Å; G269-E296 PolarHBondContact N-O 2.83Å
270	V	98.9	Very high	97.5	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-68.3	-36.5	179.5	76.1	0	0	0	0	111.2	T176 L194 Y266 F273 T274 E317	T176-V270 HydrophobicContact CG2-CG2 4.24Å; L194-V270 HydrophobicContact CD2-CB 3.74Å; L194-V270 HydrophobicContact CD2-CG2 4.31Å; Y266-V270 HydrophobicContact CD1-CG1 4.28Å; Y266-V270 HydrophobicContact CE1-CB 4.2Å; Y266-V270 HydrophobicContact CE1-CG1 3.91Å; Y266-V270 HydrophobicContact CE2-CB 4.3Å; Y266-V270 WeakPolarHBondContact O-CG1 3.12Å; Y266-V270 PolarHBondContact O-N 3.32Å; V270-F273 PolarHBondContact O-N 2.77Å; V270-T274 WeakPolarHBondContact O-CB 3.49Å; V270-T274 PolarHBondContact O-N 3.11Å; V270-T274 PolarHBondContact O-OG1 3.25Å; V270-E317 HydrophobicContact CG1-CG 3.76Å
271	L	98.8	Very high	97.4	Very high	4 Å²	4	28.4 Å²	28.4	2%	0.021	13%	0.13	C	C	.	.	H	α-helix	trans	-60.2	-49.7	172.4	177.2	64.2	0	0	0	110.9	Y267 F273 G275 F279 M283 L294 I320 F321	Y267-L271 VanDerWaalsContact O-CB 3.24Å; Y267-L271 WeakPolarHBondContact O-CB 3.38Å; Y267-L271 PolarHBondContact O-N 2.98Å; Y267-L271 VanDerWaalsContact O-N 3.15Å; L271-F273 PolarHBondContact O-N 3.18Å; L271-G275 PolarHBondContact O-N 3.48Å; L271-F279 HydrophobicContact CD1-CE1 4.1Å; L271-M283 HydrophobicContact CD1-CE 4.41Å; L271-M283 HydrophobicContact CD1-SD 4.04Å; L271-M283 HydrophobicContact CD2-CE 3.64Å; L271-M283 HydrophobicContact CD2-SD 3.83Å; L271-M283 HydrophobicContact CG-SD 4.31Å; L271-L294 HydrophobicContact CD2-CD2 4.18Å; L271-I320 HydrophobicContact CB-CD1 4.31Å; L271-I320 HydrophobicContact CD2-CB 4.1Å; L271-I320 HydrophobicContact CD2-CD1 3.58Å; L271-I320 HydrophobicContact CD2-CG1 4.44Å; L271-I320 HydrophobicContact CD2-CG2 3.72Å; L271-F321 HydrophobicContact CD1-CE2 3.88Å; L271-F321 HydrophobicContact CD1-CZ 4.21Å
272	Y	98.7	Very high	97.3	Very high	75 Å²	75	30.3 Å²	30.3	29%	0.294	14%	0.14	S	C	.	.	H	α-helix	trans	-57.5	-50.4	176.4	161	-102.1	0	0	0	111.6	C268 G269 G275 N280 R284 E296	C268-Y272 WeakPolarHBondContact O-CB 3.39Å; C268-Y272 PolarHBondContact O-N 3.38Å; G269-Y272 WeakPolarHBondContact O-CB 3.44Å; G269-Y272 PolarHBondContact O-N 3.26Å; Y272-G275 PolarHBondContact O-N 3.26Å; Y272-N280 PolarHBondContact O-ND2 2.86Å; Y272-R284 VanDerWaalsContact CD2-NH2 3.26Å; Y272-E296 HydrophobicContact CD1-CB 3.66Å; Y272-E296 HydrophobicContact CD2-CB 4.22Å; Y272-E296 HydrophobicContact CE1-CB 4.38Å; Y272-E296 HydrophobicContact CG-CB 3.56Å
273	F	98.3	Very high	97.4	Very high	26 Å²	26	30.1 Å²	30.1	11%	0.114	14%	0.139	C	C	.	.	H	α-helix	trans	-81.5	-19.4	-170.7	-144.2	20.1	0	0	0	112.8	C178 G179 D192 I193 L194 D257 R259 G269 V270 L271	C178-F273 HydrophobicContact CB-CB 3.89Å; C178-F273 HydrophobicContact CB-CD2 4Å; C178-F273 HydrophobicContact CB-CG 4.03Å; C178-F273 WeakPolarHBondContact CB-O 3.21Å; G179-F273 WeakPolarHBondContact CA-O 3.42Å; G179-F273 PolarHBondContact N-O 2.69Å; D192-F273 HydrophobicContact CB-CD1 4.29Å; D192-F273 HydrophobicContact CB-CD2 4.28Å; D192-F273 HydrophobicContact CB-CE1 3.84Å; D192-F273 HydrophobicContact CB-CE2 3.85Å; D192-F273 HydrophobicContact CB-CG 4.5Å; D192-F273 HydrophobicContact CB-CZ 3.6Å; D192-F273 VanDerWaalsContact OD1-CE1 3.27Å; D192-F273 WeakPolarHBondContact OD1-CE1 3.49Å; D192-F273 WeakPolarHBondContact OD1-CZ 3.37Å; I193-F273 WeakPolarHBondContact O-CE2 3.37Å; L194-F273 HydrophobicContact CB-CD2 4.04Å; L194-F273 HydrophobicContact CD1-CB 4.31Å; L194-F273 HydrophobicContact CD1-CD2 4.01Å; D257-F273 HydrophobicContact CB-CZ 4.16Å; R259-F273 HydrophobicContact CB-CD2 4.18Å; R259-F273 HydrophobicContact CB-CE2 3.74Å; R259-F273 HydrophobicContact CB-CZ 4.22Å; G269-F273 WeakPolarHBondContact O-CB 3.19Å; G269-F273 PolarHBondContact O-N 2.77Å; V270-F273 PolarHBondContact O-N 2.77Å; L271-F273 PolarHBondContact O-N 3.18Å
274	T	98.8	Very high	97.4	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-66.1	-40	168.6	-60.9	0	0	0	0	111.4	R182 R183 V270 P331	R182-T274 WeakPolarHBondContact CD-OG1 3.26Å; R182-T274 HydrophobicContact CG-CG2 4.36Å; R182-T274 PolarHBondContact NH1-OG1 2.89Å; R183-T274 WeakPolarHBondContact CD-O 3.42Å; R183-T274 HydrophobicContact CG-CG2 3.8Å; R183-T274 PolarHBondContact NH1-O 3.2Å; V270-T274 WeakPolarHBondContact O-CB 3.49Å; V270-T274 PolarHBondContact O-N 3.11Å; V270-T274 PolarHBondContact O-OG1 3.25Å; T274-P331 HydrophobicContact CG2-CB 3.89Å; T274-P331 HydrophobicContact CG2-CG 4.44Å
275	G	97.4	Very high	97.3	Very high	4 Å²	4	29.6 Å²	29.6	4%	0.041	14%	0.137	C	C	.	.			trans	62.3	-153.4	179.8	0	0	0	0	0	114.3	L271 Y272 R334	L271-G275 PolarHBondContact O-N 3.48Å; Y272-G275 PolarHBondContact O-N 3.26Å; G275-R334 VanDerWaalsContact O-CB 3.23Å; G275-R334 WeakPolarHBondContact O-CB 3.46Å
276	S	97.1	Very high	97.3	Very high	6 Å²	6	29.9 Å²	29.9	4%	0.042	14%	0.138	C	C	.	.			cis	-67.3	173.7	4.7	82.7	0	0	0	0	114.1	I278 F279 N280 R334 E336	S276-I278 PolarHBondContact O-N 3.4Å; S276-I278 PolarHBondContact OG-N 3.38Å; S276-F279 WeakPolarHBondContact O-CB 3.22Å; S276-F279 PolarHBondContact O-N 3.33Å; S276-F279 PolarHBondContact OG-N 2.86Å; S276-N280 PolarHBondContact O-N 2.95Å; S276-R334 PolarHBondContact N-O 2.69Å; S276-E336 PolarHBondContact OG-N 3.32Å; S276-E336 PolarHBondContact OG-O 3.5Å
277	D	93.6	Very high	97.2	Very high	43 Å²	43	27.3 Å²	27.3	23%	0.23	13%	0.128	C	C	.	.	H	α-helix	trans	-62.1	-31.9	175.7	58.5	-50.4	0	0	0	112.9	K3 R40 K281	K3-D277 IonicContact NZ-OD1 3.22Å; K3-D277 PolarHBondContact NZ-OD1 3.48Å; K3-D277 IonicContact NZ-OD2 3.31Å; K3-D277 PolarHBondContact NZ-OD2 2.84Å; R40-D277 IonicContact NH2-OD1 2.67Å; R40-D277 IonicContact NH2-OD2 2.83Å; R40-D277 PolarHBondContact NH2-OD2 2.65Å; D277-K281 VanDerWaalsContact O-CG 3.28Å; D277-K281 WeakPolarHBondContact O-CG 3.35Å; D277-K281 PolarHBondContact O-N 2.86Å
278	I	93.2	Very high	97.1	Very high	8 Å²	8	28.6 Å²	28.6	4%	0.041	14%	0.14	C	C	.	.	H	α-helix	trans	-74.6	-43.8	174.8	-66.2	158.6	0	0	0	110	R40 S276 N280 K281 N282 E336	R40-I278 VanDerWaalsContact NH2-CD1 3.32Å; S276-I278 PolarHBondContact O-N 3.4Å; S276-I278 PolarHBondContact OG-N 3.38Å; I278-N280 VanDerWaalsContact C-N 3.33Å; I278-N280 PolarHBondContact O-N 3.34Å; I278-K281 PolarHBondContact O-N 2.93Å; I278-N282 VanDerWaalsContact O-CG 3.31Å; I278-N282 PolarHBondContact O-N 3.01Å; I278-N282 PolarHBondContact O-ND2 2.97Å; I278-E336 HydrophobicContact CB-CB 4.03Å; I278-E336 WeakPolarHBondContact CD1-O 3.42Å; I278-E336 HydrophobicContact CG2-CB 3.91Å
279	F	96.4	Very high	97	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-52.9	-51.3	174	-178.1	-100.7	0	0	0	111.3	L271 S276 K281 N282 M283 F321 W326 R334 E336	L271-F279 HydrophobicContact CD1-CE1 4.1Å; S276-F279 WeakPolarHBondContact O-CB 3.22Å; S276-F279 PolarHBondContact O-N 3.33Å; S276-F279 PolarHBondContact OG-N 2.86Å; F279-K281 VanDerWaalsContact C-N 3.33Å; F279-K281 PolarHBondContact O-N 2.84Å; F279-N282 PolarHBondContact O-N 3.29Å; F279-M283 HydrophobicContact CE1-CB 4.41Å; F279-M283 HydrophobicContact CE1-SD 3.58Å; F279-M283 VanDerWaalsContact CE1-SD 3.58Å; F279-M283 HydrophobicContact CZ-SD 3.82Å; F279-M283 WeakPolarHBondContact O-CB 3.41Å; F279-M283 PolarHBondContact O-N 2.95Å; F279-F321 HydrophobicContact CE1-CZ 4.26Å; F279-F321 AromaticContact CZ-CE1 3.8Å; F279-F321 HydrophobicContact CZ-CE1 3.8Å; F279-F321 AromaticContact CZ-CZ 3.68Å; F279-F321 HydrophobicContact CZ-CZ 3.68Å; F279-W326 HydrophobicContact CE2-CZ3 4.1Å; F279-W326 HydrophobicContact CZ-CZ3 4.2Å; F279-R334 HydrophobicContact CB-CB 4.38Å; F279-R334 HydrophobicContact CD1-CB 4.09Å; F279-R334 HydrophobicContact CD1-CG 4.23Å; F279-R334 HydrophobicContact CD2-CB 3.88Å; F279-R334 HydrophobicContact CD2-CG 4.04Å; F279-R334 HydrophobicContact CE1-CB 4.41Å; F279-R334 HydrophobicContact CE1-CG 4.04Å; F279-R334 HydrophobicContact CE2-CB 4.21Å; F279-R334 HydrophobicContact CE2-CG 3.83Å; F279-R334 HydrophobicContact CG-CB 3.83Å; F279-R334 HydrophobicContact CG-CG 4.24Å; F279-R334 HydrophobicContact CZ-CB 4.48Å; F279-R334 HydrophobicContact CZ-CG 3.85Å; F279-E336 WeakPolarHBondContact CA-OE2 3.46Å; F279-E336 HydrophobicContact CB-CB 4.36Å; F279-E336 HydrophobicContact CB-CG 3.81Å; F279-E336 HydrophobicContact CD2-CG 4Å; F279-E336 HydrophobicContact CG-CG 4.4Å
280	N	98.1	Very high	96.9	Very high	19 Å²	19	39.2 Å²	39.2	10%	0.102	19%	0.188	C	C	.	.	H	α-helix	trans	-60.7	-42	-179.7	-72.5	-5.4	0	0	0	112	Y272 S276 I278 R284	Y272-N280 PolarHBondContact O-ND2 2.86Å; S276-N280 PolarHBondContact O-N 2.95Å; I278-N280 VanDerWaalsContact C-N 3.33Å; I278-N280 PolarHBondContact O-N 3.34Å; N280-R284 VanDerWaalsContact O-CB 3.3Å; N280-R284 WeakPolarHBondContact O-CB 3.17Å; N280-R284 WeakPolarHBondContact O-CG 3.21Å; N280-R284 PolarHBondContact O-N 2.87Å
281	K	95.2	Very high	96.8	Very high	85 Å²	85	40.7 Å²	40.7	37%	0.37	20%	0.202	S	C	.	.	H	α-helix	trans	-62.8	-45.9	176.9	-77.3	172.3	-178.1	176.3	0	111.5	N37 D277 I278 F279 T285	N37-K281 PolarHBondContact OD1-NZ 3.49Å; D277-K281 VanDerWaalsContact O-CG 3.28Å; D277-K281 WeakPolarHBondContact O-CG 3.35Å; D277-K281 PolarHBondContact O-N 2.86Å; I278-K281 PolarHBondContact O-N 2.93Å; F279-K281 VanDerWaalsContact C-N 3.33Å; F279-K281 PolarHBondContact O-N 2.84Å; K281-T285 WeakPolarHBondContact O-CB 3.49Å; K281-T285 PolarHBondContact O-N 2.83Å; K281-T285 PolarHBondContact O-OG1 3.11Å
282	N	94.8	Very high	96.8	Very high	40 Å²	40	42.3 Å²	42.3	21%	0.214	21%	0.209	C	C	.	.	H	α-helix	trans	-63.8	-47.6	178.8	-68.9	-19	0	0	0	110.8	I278 F279 R284 T285 H286 E336	I278-N282 VanDerWaalsContact O-CG 3.31Å; I278-N282 PolarHBondContact O-N 3.01Å; I278-N282 PolarHBondContact O-ND2 2.97Å; F279-N282 PolarHBondContact O-N 3.29Å; N282-R284 PolarHBondContact O-N 3.41Å; N282-T285 PolarHBondContact O-N 2.76Å; N282-H286 WeakPolarHBondContact O-CB 3.5Å; N282-H286 PolarHBondContact O-N 2.93Å; N282-E336 PolarHBondContact ND2-OE2 3.49Å
283	M	98.1	Very high	96.7	Very high	1 Å²	1	41 Å²	41	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-61.8	-44.4	179.4	-169.6	174.2	-177.2	0	0	112.2	L271 F279 H286 A287 L294 I320 F321 I324 W326	L271-M283 HydrophobicContact CD1-CE 4.41Å; L271-M283 HydrophobicContact CD1-SD 4.04Å; L271-M283 HydrophobicContact CD2-CE 3.64Å; L271-M283 HydrophobicContact CD2-SD 3.83Å; L271-M283 HydrophobicContact CG-SD 4.31Å; F279-M283 HydrophobicContact CE1-CB 4.41Å; F279-M283 HydrophobicContact CE1-SD 3.58Å; F279-M283 VanDerWaalsContact CE1-SD 3.58Å; F279-M283 HydrophobicContact CZ-SD 3.82Å; F279-M283 WeakPolarHBondContact O-CB 3.41Å; F279-M283 PolarHBondContact O-N 2.95Å; M283-H286 PolarHBondContact O-N 2.8Å; M283-A287 WeakPolarHBondContact O-CB 3.45Å; M283-A287 PolarHBondContact O-N 2.75Å; M283-L294 HydrophobicContact CE-CD2 4.22Å; M283-L294 HydrophobicContact CG-CD2 4.21Å; M283-L294 HydrophobicContact SD-CD2 4.28Å; M283-I320 HydrophobicContact CE-CB 4.37Å; M283-I320 HydrophobicContact CE-CG2 3.79Å; M283-F321 HydrophobicContact CE-CD1 4.26Å; M283-F321 HydrophobicContact CE-CD2 3.84Å; M283-F321 HydrophobicContact CE-CE1 4.27Å; M283-F321 HydrophobicContact CE-CE2 3.86Å; M283-F321 HydrophobicContact CE-CG 4.06Å; M283-F321 HydrophobicContact CE-CZ 4.09Å; M283-F321 HydrophobicContact SD-CZ 4.33Å; M283-I324 HydrophobicContact CE-CD1 3.57Å; M283-I324 HydrophobicContact CG-CD1 3.59Å; M283-I324 HydrophobicContact SD-CD1 4.43Å; M283-W326 HydrophobicContact CB-CH2 4.02Å; M283-W326 HydrophobicContact CB-CZ3 3.61Å; M283-W326 HydrophobicContact CG-CE3 4.06Å; M283-W326 HydrophobicContact CG-CH2 4.38Å; M283-W326 HydrophobicContact CG-CZ3 3.63Å; M283-W326 HydrophobicContact SD-CZ3 4.4Å
284	R	97.9	Very high	96.7	Very high	73 Å²	73	40.4 Å²	40.4	28%	0.275	21%	0.208	S	C	.	.	H	α-helix	trans	-67.6	-36	177.3	-70.3	176.7	-179.3	-168.6	-5.1	112.4	Y272 N280 N282 A287 L288 L294 E296	Y272-R284 VanDerWaalsContact CD2-NH2 3.26Å; N280-R284 VanDerWaalsContact O-CB 3.3Å; N280-R284 WeakPolarHBondContact O-CB 3.17Å; N280-R284 WeakPolarHBondContact O-CG 3.21Å; N280-R284 PolarHBondContact O-N 2.87Å; N282-R284 PolarHBondContact O-N 3.41Å; R284-A287 WeakPolarHBondContact O-CB 3.41Å; R284-A287 PolarHBondContact O-N 2.96Å; R284-L288 WeakPolarHBondContact O-CG 3.28Å; R284-L288 PolarHBondContact O-N 2.93Å; R284-L288 VanDerWaalsContact O-N 3.1Å; R284-L294 WeakPolarHBondContact CD-O 3.33Å; R284-L294 HydrophobicContact CG-CB 4.25Å; R284-L294 HydrophobicContact CG-CD2 4.35Å; R284-L294 HydrophobicContact CG-CG 4.34Å; R284-L294 WeakPolarHBondContact CG-O 3.45Å; R284-L294 PolarHBondContact NE-O 2.74Å; R284-E296 IonicContact NH2-OE2 3.68Å
285	T	95.9	Very high	96.7	Very high	73 Å²	73	42.9 Å²	42.9	45%	0.448	22%	0.221	S	C	.	.	H	α-helix	trans	-65.4	-46.7	174.8	-55.5	0	0	0	0	110.5	K281 N282 A287 L288 E289	K281-T285 WeakPolarHBondContact O-CB 3.49Å; K281-T285 PolarHBondContact O-N 2.83Å; K281-T285 PolarHBondContact O-OG1 3.11Å; N282-T285 PolarHBondContact O-N 2.76Å; T285-A287 VanDerWaalsContact C-N 3.31Å; T285-A287 PolarHBondContact O-N 3.39Å; T285-L288 WeakPolarHBondContact O-CB 3.27Å; T285-L288 PolarHBondContact O-N 3.01Å; T285-L288 VanDerWaalsContact O-N 3.14Å; T285-E289 PolarHBondContact O-N 3.44Å; T285-E289 VanDerWaalsContact O-N 3.07Å
286	H	96.8	Very high	96.7	Very high	33 Å²	33	44.3 Å²	44.3	15%	0.153	23%	0.226	C	C	.	.	H	α-helix	trans	-62.5	-37.7	175.4	-179	86.4	0	0	0	112.1	N282 M283 L288 E289 K290 I324 W326	N282-H286 WeakPolarHBondContact O-CB 3.5Å; N282-H286 PolarHBondContact O-N 2.93Å; M283-H286 PolarHBondContact O-N 2.8Å; H286-L288 VanDerWaalsContact C-N 3.33Å; H286-L288 PolarHBondContact O-N 3.43Å; H286-E289 PolarHBondContact O-N 3.14Å; H286-K290 WeakPolarHBondContact O-CG 3.31Å; H286-K290 PolarHBondContact O-N 2.86Å; H286-I324 PolarHBondContact CD2-O 2.9Å; H286-I324 PolarHBondContact NE2-O 3.36Å; H286-W326 HydrophobicContact CB-CH2 4.42Å; H286-W326 HydrophobicContact CB-CZ2 3.79Å; H286-W326 AromaticContact CD2-CD1 3.73Å; H286-W326 AromaticContact CD2-CE2 3.67Å; H286-W326 AromaticContact CD2-NE1 3.36Å; H286-W326 PolarHBondContact CD2-NE1 2.81Å; H286-W326 AromaticContact CE1-CD1 3.73Å; H286-W326 AromaticContact CE1-NE1 3.28Å; H286-W326 PolarHBondContact CE1-NE1 3.46Å; H286-W326 VanDerWaalsContact CE1-NE1 3.28Å; H286-W326 AromaticContact CG-CE2 3.68Å; H286-W326 AromaticContact CG-CZ2 3.79Å; H286-W326 AromaticContact CG-NE1 3.48Å; H286-W326 AromaticContact ND1-NE1 3.41Å; H286-W326 PolarHBondContact ND1-NE1 2.91Å; H286-W326 AromaticContact NE2-CD1 3.33Å; H286-W326 VanDerWaalsContact NE2-CD1 3.33Å; H286-W326 AromaticContact NE2-NE1 3.23Å; H286-W326 PolarHBondContact NE2-NE1 3.07Å
287	A	97.7	Very high	96.7	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-57.6	-46	172.8	0	0	0	0	0	111.3	M283 R284 T285 E289 K290 G291 F292 L294 I324	M283-A287 WeakPolarHBondContact O-CB 3.45Å; M283-A287 PolarHBondContact O-N 2.75Å; R284-A287 WeakPolarHBondContact O-CB 3.41Å; R284-A287 PolarHBondContact O-N 2.96Å; T285-A287 VanDerWaalsContact C-N 3.31Å; T285-A287 PolarHBondContact O-N 3.39Å; A287-E289 VanDerWaalsContact C-N 3.35Å; A287-E289 PolarHBondContact O-N 3.36Å; A287-K290 CarbonylContact O-C 3.42Å; A287-K290 WeakPolarHBondContact O-CA 3.47Å; A287-K290 PolarHBondContact O-N 3.39Å; A287-G291 PolarHBondContact O-N 3.34Å; A287-G291 VanDerWaalsContact O-N 3.13Å; A287-F292 CarbonylContact C-O 3.44Å; A287-F292 HydrophobicContact CB-CB 4.25Å; A287-F292 WeakPolarHBondContact O-CA 3.15Å; A287-F292 PolarHBondContact O-N 3.32Å; A287-F292 VanDerWaalsContact O-O 3.04Å; A287-L294 HydrophobicContact CB-CB 4.26Å; A287-I324 HydrophobicContact CB-CG2 3.76Å
288	L	96.4	Very high	96.9	Very high	106 Å²	106	45.5 Å²	45.5	56%	0.555	23%	0.228	S	C	*	.	H	α-helix	trans	-61.4	-42	177.2	-70.2	168.4	0	0	0	111.9	R284 T285 H286 K290 G291 F292	R284-L288 WeakPolarHBondContact O-CG 3.28Å; R284-L288 PolarHBondContact O-N 2.93Å; R284-L288 VanDerWaalsContact O-N 3.1Å; T285-L288 WeakPolarHBondContact O-CB 3.27Å; T285-L288 PolarHBondContact O-N 3.01Å; T285-L288 VanDerWaalsContact O-N 3.14Å; H286-L288 VanDerWaalsContact C-N 3.33Å; H286-L288 PolarHBondContact O-N 3.43Å; L288-K290 PolarHBondContact O-N 3.45Å; L288-G291 PolarHBondContact O-N 3.03Å; L288-F292 WeakPolarHBondContact CA-O 3.29Å; L288-F292 WeakPolarHBondContact CD2-O 3Å; L288-F292 PolarHBondContact N-O 3.09Å
289	E	95.5	Very high	97.2	Very high	146 Å²	146	45.1 Å²	45.1	68%	0.682	23%	0.226	S	C	*	.	H	α-helix	trans	-62.6	-28.3	174.7	-67.7	170.7	-174.5	0	0	112.6	T285 H286 A287 G291	T285-E289 PolarHBondContact O-N 3.44Å; T285-E289 VanDerWaalsContact O-N 3.07Å; H286-E289 PolarHBondContact O-N 3.14Å; A287-E289 VanDerWaalsContact C-N 3.35Å; A287-E289 PolarHBondContact O-N 3.36Å; E289-G291 VanDerWaalsContact C-N 3.33Å
290	K	96.9	Very high	97.3	Very high	82 Å²	82	49.1 Å²	49.1	36%	0.357	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	4	174.3	-66.5	-68.4	-179.6	-179.3	0	113.8	H286 A287 L288 F292	H286-K290 WeakPolarHBondContact O-CG 3.31Å; H286-K290 PolarHBondContact O-N 2.86Å; A287-K290 CarbonylContact O-C 3.42Å; A287-K290 WeakPolarHBondContact O-CA 3.47Å; A287-K290 PolarHBondContact O-N 3.39Å; L288-K290 PolarHBondContact O-N 3.45Å; K290-F292 HydrophobicContact CB-CD2 3.88Å; K290-F292 HydrophobicContact CB-CE2 4.21Å; K290-F292 VanDerWaalsContact O-CD2 3.3Å; K290-F292 WeakPolarHBondContact O-CD2 3.29Å; K290-F292 VanDerWaalsContact O-CE2 3.3Å; K290-F292 WeakPolarHBondContact O-CE2 3.19Å
291	G	96.9	Very high	97.3	Very high	30 Å²	30	50.4 Å²	50.4	31%	0.309	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.7	29.6	179.5	0	0	0	0	0	113.8	A287 L288 E289 P301 V302	A287-G291 PolarHBondContact O-N 3.34Å; A287-G291 VanDerWaalsContact O-N 3.13Å; L288-G291 PolarHBondContact O-N 3.03Å; E289-G291 VanDerWaalsContact C-N 3.33Å; G291-P301 CarbonylContact O-C 3.29Å; G291-V302 PolarHBondContact O-N 3.34Å
292	F	98.3	Very high	97.3	Very high	38 Å²	38	48.4 Å²	48.4	17%	0.167	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	151.1	175.6	-58.8	-83	0	0	0	111.5	A287 L288 K290 I299 R300 P301 L312 Y323 I324	A287-F292 CarbonylContact C-O 3.44Å; A287-F292 HydrophobicContact CB-CB 4.25Å; A287-F292 WeakPolarHBondContact O-CA 3.15Å; A287-F292 PolarHBondContact O-N 3.32Å; A287-F292 VanDerWaalsContact O-O 3.04Å; L288-F292 WeakPolarHBondContact CA-O 3.29Å; L288-F292 WeakPolarHBondContact CD2-O 3Å; L288-F292 PolarHBondContact N-O 3.09Å; K290-F292 HydrophobicContact CB-CD2 3.88Å; K290-F292 HydrophobicContact CB-CE2 4.21Å; K290-F292 VanDerWaalsContact O-CD2 3.3Å; K290-F292 WeakPolarHBondContact O-CD2 3.29Å; K290-F292 VanDerWaalsContact O-CE2 3.3Å; K290-F292 WeakPolarHBondContact O-CE2 3.19Å; F292-I299 HydrophobicContact CB-CD1 4.12Å; F292-I299 HydrophobicContact CB-CG1 4.01Å; F292-I299 HydrophobicContact CD1-CD1 4.31Å; F292-I299 HydrophobicContact CD1-CG1 4.23Å; F292-I299 HydrophobicContact CG-CD1 4.2Å; F292-I299 HydrophobicContact CG-CG1 4.35Å; F292-R300 CarbonylContact C-O 3.4Å; F292-R300 VanDerWaalsContact CA-O 3.23Å; F292-R300 WeakPolarHBondContact CA-O 3.4Å; F292-P301 HydrophobicContact CD1-CB 4.33Å; F292-P301 HydrophobicContact CE1-CB 4.3Å; F292-L312 HydrophobicContact CD1-CD1 3.87Å; F292-L312 HydrophobicContact CE1-CD1 3.59Å; F292-Y323 VanDerWaalsContact CE2-O 3.26Å; F292-Y323 WeakPolarHBondContact CE2-O 3.26Å; F292-I324 HydrophobicContact CD2-CG2 4.32Å
293	T	97.9	Very high	96.8	Very high	49 Å²	49	48.6 Å²	48.6	30%	0.301	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	135.2	164.6	-175.5	0	0	0	0	109.1	I299 R300 V302 A308	T293-I299 WeakPolarHBondContact O-CA 3.43Å; T293-R300 HydrophobicContact CG2-CB 3.88Å; T293-R300 PolarHBondContact N-O 3.1Å; T293-R300 PolarHBondContact O-N 3.03Å; T293-V302 HydrophobicContact CG2-CG2 4.13Å; T293-A308 HydrophobicContact CG2-CB 3.73Å
294	L	98.3	Very high	96.1	Very high	13 Å²	13	56.2 Å²	56.2	7%	0.068	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	124.8	-175.3	173	65.8	0	0	0	109.6	L271 M283 R284 A287 I299 I320	L271-L294 HydrophobicContact CD2-CD2 4.18Å; M283-L294 HydrophobicContact CE-CD2 4.22Å; M283-L294 HydrophobicContact CG-CD2 4.21Å; M283-L294 HydrophobicContact SD-CD2 4.28Å; R284-L294 WeakPolarHBondContact CD-O 3.33Å; R284-L294 HydrophobicContact CG-CB 4.25Å; R284-L294 HydrophobicContact CG-CD2 4.35Å; R284-L294 HydrophobicContact CG-CG 4.34Å; R284-L294 WeakPolarHBondContact CG-O 3.45Å; R284-L294 PolarHBondContact NE-O 2.74Å; A287-L294 HydrophobicContact CB-CB 4.26Å; L294-I299 HydrophobicContact CD1-CB 3.95Å; L294-I320 HydrophobicContact CD1-CG2 3.77Å; L294-I320 HydrophobicContact CD2-CG2 3.86Å; L294-I320 HydrophobicContact CG-CG2 4.47Å
295	N	97.8	Very high	95.5	Very high	51 Å²	51	57.5 Å²	57.5	27%	0.273	32%	0.319	S	S	.	.			trans	-127.1	-172	170.8	65.9	18.1	0	0	0	110.5	Y297 T298	N295-Y297 PolarHBondContact O-N 2.81Å; N295-Y297 WeakPolarHBondContact OD1-CA 3.28Å; N295-Y297 WeakPolarHBondContact OD1-CB 3.43Å; N295-Y297 PolarHBondContact OD1-N 3.48Å; N295-T298 PolarHBondContact N-O 3.23Å; N295-T298 VanDerWaalsContact N-O 3.1Å; N295-T298 PolarHBondContact OD1-N 2.7Å; N295-T298 PolarHBondContact OD1-O 3.12Å; N295-T298 VanDerWaalsContact OD1-O 3.12Å
296	E	97.6	Very high	95	Very high	34 Å²	34	56.6 Å²	56.6	16%	0.159	32%	0.324	C	S	.	.	S	Bend	trans	-70.9	-3.8	178.9	64.5	-98.1	-129	0	0	114.6	R259 I261 C268 G269 Y272 R284	R259-E296 IonicContact CZ-OE1 3.26Å; R259-E296 IonicContact NH1-OE1 2.77Å; R259-E296 PolarHBondContact NH1-OE1 3.38Å; R259-E296 IonicContact NH2-OE1 3.45Å; R259-E296 PolarHBondContact NH2-OE1 3.41Å; I261-E296 HydrophobicContact CD1-CG 4.16Å; C268-E296 CarbonylContact C-O 3.55Å; C268-E296 VanDerWaalsContact C-O 3.29Å; G269-E296 WeakPolarHBondContact CA-O 3.42Å; G269-E296 PolarHBondContact N-O 2.83Å; Y272-E296 HydrophobicContact CD1-CB 3.66Å; Y272-E296 HydrophobicContact CD2-CB 4.22Å; Y272-E296 HydrophobicContact CE1-CB 4.38Å; Y272-E296 HydrophobicContact CG-CB 3.56Å; R284-E296 IonicContact NH2-OE2 3.68Å
297	Y	97.8	Very high	94.6	Very high	67 Å²	67	61.4 Å²	61.4	26%	0.263	35%	0.348	S	S	.	.	S	Bend	trans	-111.3	-45.3	-175.6	-59.1	-67.1	0	0	0	111.4	R259 I261 Q265 C268 N295	R259-Y297 PolarHBondContact NH2-OH 3.38Å; I261-Y297 HydrophobicContact CD1-CD1 3.75Å; I261-Y297 HydrophobicContact CD1-CE1 3.39Å; Q265-Y297 WeakPolarHBondContact CB-O 3.43Å; Q265-Y297 VanDerWaalsContact CG-O 3.3Å; Q265-Y297 WeakPolarHBondContact CG-O 3.36Å; Q265-Y297 VanDerWaalsContact OE1-CD1 3.25Å; C268-Y297 VanDerWaalsContact CB-C 3.48Å; C268-Y297 WeakPolarHBondContact CB-O 3.33Å; N295-Y297 PolarHBondContact O-N 2.81Å; N295-Y297 WeakPolarHBondContact OD1-CA 3.28Å; N295-Y297 WeakPolarHBondContact OD1-CB 3.43Å; N295-Y297 PolarHBondContact OD1-N 3.48Å
298	T	98.5	Very high	94.4	Very high	8 Å²	8	63.9 Å²	63.9	5%	0.049	37%	0.368	C	S	.	.			trans	-152	155	-168.5	59.6	0	0	0	0	111.7	N295 R300 P311	N295-T298 PolarHBondContact N-O 3.23Å; N295-T298 VanDerWaalsContact N-O 3.1Å; N295-T298 PolarHBondContact OD1-N 2.7Å; N295-T298 PolarHBondContact OD1-O 3.12Å; N295-T298 VanDerWaalsContact OD1-O 3.12Å; T298-R300 PolarHBondContact OG1-NE 3.28Å; T298-P311 HydrophobicContact CG2-CB 3.72Å; T298-P311 HydrophobicContact CG2-CG 3.84Å
299	I	98.6	Very high	94.4	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	132.3	156.6	-173.7	171.2	0	0	0	108.7	F292 T293 L294 L312 V314 I320 Y323 I324	F292-I299 HydrophobicContact CB-CD1 4.12Å; F292-I299 HydrophobicContact CB-CG1 4.01Å; F292-I299 HydrophobicContact CD1-CD1 4.31Å; F292-I299 HydrophobicContact CD1-CG1 4.23Å; F292-I299 HydrophobicContact CG-CD1 4.2Å; F292-I299 HydrophobicContact CG-CG1 4.35Å; T293-I299 WeakPolarHBondContact O-CA 3.43Å; L294-I299 HydrophobicContact CD1-CB 3.95Å; I299-L312 HydrophobicContact CG2-CB 4.06Å; I299-L312 HydrophobicContact CG2-CD1 4.24Å; I299-L312 PolarHBondContact O-N 3.21Å; I299-V314 HydrophobicContact CG2-CG2 3.72Å; I299-I320 HydrophobicContact CD1-CG2 4.2Å; I299-Y323 HydrophobicContact CD1-CD2 4.21Å; I299-Y323 HydrophobicContact CD1-CG 4.27Å; I299-Y323 HydrophobicContact CG2-CD2 3.97Å; I299-Y323 HydrophobicContact CG2-CE2 4.22Å; I299-I324 HydrophobicContact CD1-CG2 3.91Å
300	R	98.5	Very high	94.4	Very high	84 Å²	84	60.8 Å²	60.8	32%	0.317	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	139.8	-177.1	-62.8	173.1	-169.7	-161.6	-1.2	110.1	F292 T293 T298 A308 G309	F292-R300 CarbonylContact C-O 3.4Å; F292-R300 VanDerWaalsContact CA-O 3.23Å; F292-R300 WeakPolarHBondContact CA-O 3.4Å; T293-R300 HydrophobicContact CG2-CB 3.88Å; T293-R300 PolarHBondContact N-O 3.1Å; T293-R300 PolarHBondContact O-N 3.03Å; T298-R300 PolarHBondContact OG1-NE 3.28Å; R300-A308 HydrophobicContact CB-CB 4.21Å; R300-G309 WeakPolarHBondContact CD-O 3.27Å
301	P	97.4	Very high	94.5	Very high	45 Å²	45	59.7 Å²	59.7	29%	0.292	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	147.6	171	30.7	-32.1	0	0	0	109.7	G291 F292 G309 E310 L312	G291-P301 CarbonylContact O-C 3.29Å; F292-P301 HydrophobicContact CD1-CB 4.33Å; F292-P301 HydrophobicContact CE1-CB 4.3Å; P301-G309 PolarHBondContact O-N 3.14Å; P301-E310 WeakPolarHBondContact CD-O 3.36Å; P301-L312 HydrophobicContact CG-CD2 4.33Å
302	V	95.1	Very high	94.5	Very high	44 Å²	44	60.6 Å²	60.6	27%	0.267	36%	0.358	S	S	.	.	B	Isolated β-bridge	trans	-106.4	113.9	175.1	179.5	0	0	0	0	107.4	G291 T293	G291-V302 PolarHBondContact O-N 3.34Å; T293-V302 HydrophobicContact CG2-CG2 4.13Å
303	G	85.3	Confident	94.4	Very high	43 Å²	43	66.5 Å²	66.5	44%	0.443	39%	0.388	S	S	.	.			trans	-70.5	175	-179.6	0	0	0	0	0	112.7	T305 G306 M307	G303-T305 PolarHBondContact O-N 3.08Å; G303-G306 PolarHBondContact O-N 3.03Å; G303-M307 PolarHBondContact N-O 3Å
304	V	83.5	Confident	94.5	Very high	161 Å²	161	65.5 Å²	65.5	98%	0.976	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-22.2	178.4	-63	0	0	0	0	114	G306	V304-G306 VanDerWaalsContact C-N 3.32Å
305	T	84.9	Confident	94.5	Very high	101 Å²	101	71 Å²	71	62%	0.62	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-7.2	176.9	57.3	0	0	0	0	113.5	G303 M307	G303-T305 PolarHBondContact O-N 3.08Å; T305-M307 VanDerWaalsContact C-N 3.25Å; T305-M307 PolarHBondContact O-N 3.27Å; T305-M307 PolarHBondContact OG1-N 3.5Å
306	G	85	Confident	94.5	Very high	54 Å²	54	70.1 Å²	70.1	56%	0.557	41%	0.409	S	S	*	.	S	Bend	trans	80	0.7	-171.8	0	0	0	0	0	114.4	G303 V304	G303-G306 PolarHBondContact O-N 3.03Å; V304-G306 VanDerWaalsContact C-N 3.32Å
307	M	88.9	Confident	94.5	Very high	133 Å²	133	69.2 Å²	69.2	66%	0.655	41%	0.405	S	S	*	.			trans	-81.5	140.7	176.6	-63.3	-167.8	-65.2	0	0	111.3	G303 T305	G303-M307 PolarHBondContact N-O 3Å; T305-M307 VanDerWaalsContact C-N 3.25Å; T305-M307 PolarHBondContact O-N 3.27Å; T305-M307 PolarHBondContact OG1-N 3.5Å
308	A	93.8	Very high	94.6	Very high	52 Å²	52	70.5 Å²	70.5	43%	0.43	41%	0.412	S	S	.	.	B	Isolated β-bridge	trans	-70.9	127.5	173.1	0	0	0	0	0	109.9	T293 R300	T293-A308 HydrophobicContact CG2-CB 3.73Å; R300-A308 HydrophobicContact CB-CB 4.21Å
309	G	95.4	Very high	94.6	Very high	29 Å²	29	72.3 Å²	72.3	30%	0.299	42%	0.421	S	S	.	.			trans	-79.4	-162.5	171.1	0	0	0	0	0	112.5	R300 P301	R300-G309 WeakPolarHBondContact CD-O 3.27Å; P301-G309 PolarHBondContact O-N 3.14Å
310	E	96.4	Very high	94.6	Very high	158 Å²	158	72.3 Å²	72.3	74%	0.738	42%	0.421	S	S	*	.	S	Bend	trans	-67.3	151.7	179.9	-65.3	-53.2	131.4	0	0	112.9	P301 L312	P301-E310 WeakPolarHBondContact CD-O 3.36Å; E310-L312 PolarHBondContact O-N 3.29Å
311	P	97.4	Very high	94.6	Very high	60 Å²	60	68.3 Å²	68.3	39%	0.39	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-54.7	133.2	171.9	-25.3	36.1	0	0	0	112.5	T298	T298-P311 HydrophobicContact CG2-CB 3.72Å; T298-P311 HydrophobicContact CG2-CG 3.84Å
312	L	97.6	Very high	94.7	Very high	48 Å²	48	69.8 Å²	69.8	25%	0.251	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-79.5	152.3	169.7	-54.2	174.1	0	0	0	110.1	F292 I299 P301 E310 Y323	F292-L312 HydrophobicContact CD1-CD1 3.87Å; F292-L312 HydrophobicContact CE1-CD1 3.59Å; I299-L312 HydrophobicContact CG2-CB 4.06Å; I299-L312 HydrophobicContact CG2-CD1 4.24Å; I299-L312 PolarHBondContact O-N 3.21Å; P301-L312 HydrophobicContact CG-CD2 4.33Å; E310-L312 PolarHBondContact O-N 3.29Å; L312-Y323 HydrophobicContact CB-CE1 4.29Å; L312-Y323 HydrophobicContact CB-CE2 4Å; L312-Y323 HydrophobicContact CD1-CD1 3.73Å; L312-Y323 HydrophobicContact CD1-CD2 4.24Å; L312-Y323 HydrophobicContact CD1-CE1 3.71Å; L312-Y323 HydrophobicContact CD1-CE2 4.23Å; L312-Y323 HydrophobicContact CD1-CG 4.01Å; L312-Y323 HydrophobicContact CG-CE1 4.48Å
313	M	97.4	Very high	94.8	Very high	163 Å²	163	71.3 Å²	71.3	80%	0.803	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-66.3	132.2	173.6	-67.2	-61.1	-64.2	0	0	110.4	Y323	M313-Y323 WeakPolarHBondContact O-CE2 3.37Å; M313-Y323 PolarHBondContact O-OH 3.17Å
314	V	98.4	Very high	95.5	Very high	27 Å²	27	69.2 Å²	69.2	16%	0.164	39%	0.392	C	S	.	.			trans	-137	114.8	178.6	179.1	0	0	0	0	108.2	Y267 I299 S316 D319 I320 Y323	Y267-V314 HydrophobicContact CD2-CG1 4.4Å; Y267-V314 HydrophobicContact CG-CG1 4.38Å; I299-V314 HydrophobicContact CG2-CG2 3.72Å; V314-S316 VanDerWaalsContact CG1-O 3.25Å; V314-S316 WeakPolarHBondContact CG1-O 3.05Å; V314-D319 HydrophobicContact CG1-CB 4.4Å; V314-I320 HydrophobicContact CG1-CD1 3.96Å; V314-I320 HydrophobicContact CG1-CG1 3.63Å; V314-I320 HydrophobicContact CG2-CG1 4.18Å; V314-Y323 HydrophobicContact CG2-CE2 4.29Å
315	D	98	Very high	96.2	Very high	128 Å²	128	68.1 Å²	68.1	68%	0.684	38%	0.376	S	S	*	.	S	Bend	trans	-117	3.2	178.3	-159.8	32.3	0	0	0	112	Y267 D319	Y267-D315 VanDerWaalsContact CD2-C 3.44Å; Y267-D315 WeakPolarHBondContact CE2-O 3.21Å; Y267-D315 PolarHBondContact OH-O 3.09Å; D315-D319 PolarHBondContact N-OD2 3.47Å
316	S	98.7	Very high	96.8	Very high	33 Å²	33	66.1 Å²	66.1	23%	0.231	36%	0.357	C	S	.	.	S	Bend	trans	-154.6	160.9	170.8	78.8	0	0	0	0	111.8	V314 K318 D319	V314-S316 VanDerWaalsContact CG1-O 3.25Å; V314-S316 WeakPolarHBondContact CG1-O 3.05Å; S316-K318 PolarHBondContact O-N 3.43Å; S316-K318 WeakPolarHBondContact OG-CB 3.41Å; S316-K318 PolarHBondContact OG-N 3.2Å; S316-D319 PolarHBondContact N-OD2 2.91Å; S316-D319 VanDerWaalsContact N-OD2 3.09Å; S316-D319 PolarHBondContact O-N 2.82Å; S316-D319 VanDerWaalsContact OG-CG 3.23Å; S316-D319 PolarHBondContact OG-N 3.13Å; S316-D319 VanDerWaalsContact OG-N 3.08Å; S316-D319 PolarHBondContact OG-OD1 2.93Å
317	E	98.8	Very high	97.4	Very high	15 Å²	15	72.6 Å²	72.6	7%	0.07	37%	0.37	C	S	.	.	H	α-helix	trans	-57.2	-35.7	167.4	-71.1	-176.1	-120.7	0	0	110.9	R182 Y267 V270 D319 I320 F321 Y328 R334	R182-E317 IonicContact CZ-OE1 2.77Å; R182-E317 IonicContact NH1-OE1 3.44Å; R182-E317 PolarHBondContact NH1-OE1 3.2Å; R182-E317 IonicContact NH1-OE2 2.92Å; R182-E317 PolarHBondContact NH1-OE2 3.03Å; R182-E317 IonicContact NH2-OE1 3.77Å; R182-E317 PolarHBondContact NH2-OE1 3.46Å; Y267-E317 HydrophobicContact CD1-CG 4.31Å; V270-E317 HydrophobicContact CG1-CG 3.76Å; E317-D319 VanDerWaalsContact C-N 3.34Å; E317-D319 PolarHBondContact O-N 2.94Å; E317-I320 WeakPolarHBondContact O-CB 3.45Å; E317-I320 PolarHBondContact O-N 3.11Å; E317-F321 VanDerWaalsContact O-CD2 3.24Å; E317-F321 WeakPolarHBondContact O-CD2 3.35Å; E317-Y328 HydrophobicContact CB-CE2 4Å; E317-R334 IonicContact OE2-CZ 2.71Å; E317-R334 VanDerWaalsContact OE2-CZ 3.24Å; E317-R334 IonicContact OE2-NH1 3.6Å; E317-R334 PolarHBondContact OE2-NH1 3.02Å; E317-R334 IonicContact OE2-NH2 3.58Å; E317-R334 PolarHBondContact OE2-NH2 3.36Å
318	K	98.7	Very high	97.8	Very high	95 Å²	95	69.4 Å²	69.4	41%	0.413	35%	0.351	S	S	.	.	H	α-helix	trans	-64	-35.2	-177	177.7	179.5	-177.2	-51.4	0	112.6	S316 I320 F321 D322 Y328	S316-K318 PolarHBondContact O-N 3.43Å; S316-K318 WeakPolarHBondContact OG-CB 3.41Å; S316-K318 PolarHBondContact OG-N 3.2Å; K318-I320 PolarHBondContact O-N 3.26Å; K318-F321 WeakPolarHBondContact O-CA 3.21Å; K318-F321 WeakPolarHBondContact O-CB 3.38Å; K318-F321 PolarHBondContact O-N 3.28Å; K318-D322 IonicContact NZ-OD1 3.52Å; K318-D322 PolarHBondContact NZ-OD1 2.92Å; K318-D322 IonicContact NZ-OD2 2.77Å; K318-D322 PolarHBondContact NZ-OD2 2.83Å; K318-D322 PolarHBondContact O-N 2.85Å; K318-Y328 HydrophobicContact CB-CD2 3.87Å; K318-Y328 HydrophobicContact CB-CE2 4.33Å; K318-Y328 HydrophobicContact CB-CG 4.27Å; K318-Y328 HydrophobicContact CG-CD2 4.31Å; K318-Y328 HydrophobicContact CG-CG 4.33Å
319	D	98.8	Very high	98	Very high	46 Å²	46	69.8 Å²	69.8	25%	0.246	34%	0.341	C	S	.	.	H	α-helix	trans	-57.5	-39	178.9	-58.8	-8.5	0	0	0	111	V314 D315 S316 E317 F321 D322 Y323	V314-D319 HydrophobicContact CG1-CB 4.4Å; D315-D319 PolarHBondContact N-OD2 3.47Å; S316-D319 PolarHBondContact N-OD2 2.91Å; S316-D319 VanDerWaalsContact N-OD2 3.09Å; S316-D319 PolarHBondContact O-N 2.82Å; S316-D319 VanDerWaalsContact OG-CG 3.23Å; S316-D319 PolarHBondContact OG-N 3.13Å; S316-D319 VanDerWaalsContact OG-N 3.08Å; S316-D319 PolarHBondContact OG-OD1 2.93Å; E317-D319 VanDerWaalsContact C-N 3.34Å; E317-D319 PolarHBondContact O-N 2.94Å; D319-F321 VanDerWaalsContact C-N 3.3Å; D319-F321 PolarHBondContact O-N 3.34Å; D319-D322 PolarHBondContact O-N 2.97Å; D319-D322 VanDerWaalsContact O-N 3.15Å; D319-Y323 HydrophobicContact CB-CE2 4.32Å; D319-Y323 WeakPolarHBondContact O-CD2 3.46Å; D319-Y323 PolarHBondContact O-N 2.76Å
320	I	98.8	Very high	98.2	Very high	0 Å²	0	72.7 Å²	72.7	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-62.6	-38.9	177.5	-48.9	172.3	0	0	0	110.7	L271 M283 L294 I299 V314 E317 K318 I324	L271-I320 HydrophobicContact CB-CD1 4.31Å; L271-I320 HydrophobicContact CD2-CB 4.1Å; L271-I320 HydrophobicContact CD2-CD1 3.58Å; L271-I320 HydrophobicContact CD2-CG1 4.44Å; L271-I320 HydrophobicContact CD2-CG2 3.72Å; M283-I320 HydrophobicContact CE-CB 4.37Å; M283-I320 HydrophobicContact CE-CG2 3.79Å; L294-I320 HydrophobicContact CD1-CG2 3.77Å; L294-I320 HydrophobicContact CD2-CG2 3.86Å; L294-I320 HydrophobicContact CG-CG2 4.47Å; I299-I320 HydrophobicContact CD1-CG2 4.2Å; V314-I320 HydrophobicContact CG1-CD1 3.96Å; V314-I320 HydrophobicContact CG1-CG1 3.63Å; V314-I320 HydrophobicContact CG2-CG1 4.18Å; E317-I320 WeakPolarHBondContact O-CB 3.45Å; E317-I320 PolarHBondContact O-N 3.11Å; K318-I320 PolarHBondContact O-N 3.26Å; I320-I324 WeakPolarHBondContact O-CG1 3.3Å
321	F	98.8	Very high	98.3	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-68.9	-40.3	174.7	-72.4	-107.6	0	0	0	111.4	L271 F279 M283 E317 K318 D319 I324 Q325 W326 K327 Y328 R329	L271-F321 HydrophobicContact CD1-CE2 3.88Å; L271-F321 HydrophobicContact CD1-CZ 4.21Å; F279-F321 HydrophobicContact CE1-CZ 4.26Å; F279-F321 AromaticContact CZ-CE1 3.8Å; F279-F321 HydrophobicContact CZ-CE1 3.8Å; F279-F321 AromaticContact CZ-CZ 3.68Å; F279-F321 HydrophobicContact CZ-CZ 3.68Å; M283-F321 HydrophobicContact CE-CD1 4.26Å; M283-F321 HydrophobicContact CE-CD2 3.84Å; M283-F321 HydrophobicContact CE-CE1 4.27Å; M283-F321 HydrophobicContact CE-CE2 3.86Å; M283-F321 HydrophobicContact CE-CG 4.06Å; M283-F321 HydrophobicContact CE-CZ 4.09Å; M283-F321 HydrophobicContact SD-CZ 4.33Å; E317-F321 VanDerWaalsContact O-CD2 3.24Å; E317-F321 WeakPolarHBondContact O-CD2 3.35Å; K318-F321 WeakPolarHBondContact O-CA 3.21Å; K318-F321 WeakPolarHBondContact O-CB 3.38Å; K318-F321 PolarHBondContact O-N 3.28Å; D319-F321 VanDerWaalsContact C-N 3.3Å; D319-F321 PolarHBondContact O-N 3.34Å; F321-I324 CarbonylContact O-C 3.47Å; F321-I324 WeakPolarHBondContact O-CG1 3.2Å; F321-I324 PolarHBondContact O-N 3.31Å; F321-Q325 PolarHBondContact O-N 2.91Å; F321-Q325 VanDerWaalsContact O-N 3.12Å; F321-W326 CarbonylContact C-O 3.58Å; F321-W326 HydrophobicContact CB-CB 4.36Å; F321-W326 HydrophobicContact CD1-CB 4.01Å; F321-W326 HydrophobicContact CD1-CE3 4.24Å; F321-W326 HydrophobicContact CE1-CE3 4.29Å; F321-W326 PolarHBondContact O-N 2.94Å; F321-K327 WeakPolarHBondContact CD1-O 3.4Å; F321-Y328 AromaticContact CD2-CD2 3.69Å; F321-Y328 HydrophobicContact CD2-CD2 3.69Å; F321-Y328 HydrophobicContact CD2-CE2 4.15Å; F321-Y328 AromaticContact CE2-CD2 3.83Å; F321-Y328 HydrophobicContact CE2-CD2 3.83Å; F321-Y328 AromaticContact CE2-CE2 3.91Å; F321-Y328 HydrophobicContact CE2-CE2 3.91Å; F321-Y328 HydrophobicContact CG-CD2 4.06Å; F321-Y328 HydrophobicContact CZ-CD2 4.31Å; F321-Y328 HydrophobicContact CZ-CE2 4.47Å; F321-R329 HydrophobicContact CE1-CB 4.03Å; F321-R329 HydrophobicContact CE1-CG 4.48Å
322	D	98.7	Very high	98.3	Very high	76 Å²	76	70.3 Å²	70.3	41%	0.406	33%	0.33	S	S	.	.	H	α-helix	trans	-63.6	-44.9	180	-68.6	-19.1	0	0	0	111.2	K318 D319 I324 Q325	K318-D322 IonicContact NZ-OD1 3.52Å; K318-D322 PolarHBondContact NZ-OD1 2.92Å; K318-D322 IonicContact NZ-OD2 2.77Å; K318-D322 PolarHBondContact NZ-OD2 2.83Å; K318-D322 PolarHBondContact O-N 2.85Å; D319-D322 PolarHBondContact O-N 2.97Å; D319-D322 VanDerWaalsContact O-N 3.15Å; D322-I324 VanDerWaalsContact C-N 3.28Å; D322-I324 PolarHBondContact O-N 3.28Å; D322-Q325 PolarHBondContact O-N 3.47Å
323	Y	98.5	Very high	98.1	Very high	75 Å²	75	72.7 Å²	72.7	29%	0.294	34%	0.339	S	S	.	.	H	α-helix	trans	-55.3	-42.5	176.5	-75.9	-57.6	0	0	0	112.6	F292 I299 L312 M313 V314 D319 Q325	F292-Y323 VanDerWaalsContact CE2-O 3.26Å; F292-Y323 WeakPolarHBondContact CE2-O 3.26Å; I299-Y323 HydrophobicContact CD1-CD2 4.21Å; I299-Y323 HydrophobicContact CD1-CG 4.27Å; I299-Y323 HydrophobicContact CG2-CD2 3.97Å; I299-Y323 HydrophobicContact CG2-CE2 4.22Å; L312-Y323 HydrophobicContact CB-CE1 4.29Å; L312-Y323 HydrophobicContact CB-CE2 4Å; L312-Y323 HydrophobicContact CD1-CD1 3.73Å; L312-Y323 HydrophobicContact CD1-CD2 4.24Å; L312-Y323 HydrophobicContact CD1-CE1 3.71Å; L312-Y323 HydrophobicContact CD1-CE2 4.23Å; L312-Y323 HydrophobicContact CD1-CG 4.01Å; L312-Y323 HydrophobicContact CG-CE1 4.48Å; M313-Y323 WeakPolarHBondContact O-CE2 3.37Å; M313-Y323 PolarHBondContact O-OH 3.17Å; V314-Y323 HydrophobicContact CG2-CE2 4.29Å; D319-Y323 HydrophobicContact CB-CE2 4.32Å; D319-Y323 WeakPolarHBondContact O-CD2 3.46Å; D319-Y323 PolarHBondContact O-N 2.76Å; Y323-Q325 VanDerWaalsContact C-N 3.26Å; Y323-Q325 PolarHBondContact O-N 3.23Å
324	I	98.1	Very high	98.1	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	7.9	-179.4	72.8	179.1	0	0	0	112.7	M283 H286 A287 F292 I299 I320 F321 D322 W326	M283-I324 HydrophobicContact CE-CD1 3.57Å; M283-I324 HydrophobicContact CG-CD1 3.59Å; M283-I324 HydrophobicContact SD-CD1 4.43Å; H286-I324 PolarHBondContact CD2-O 2.9Å; H286-I324 PolarHBondContact NE2-O 3.36Å; A287-I324 HydrophobicContact CB-CG2 3.76Å; F292-I324 HydrophobicContact CD2-CG2 4.32Å; I299-I324 HydrophobicContact CD1-CG2 3.91Å; I320-I324 WeakPolarHBondContact O-CG1 3.3Å; F321-I324 CarbonylContact O-C 3.47Å; F321-I324 WeakPolarHBondContact O-CG1 3.2Å; F321-I324 PolarHBondContact O-N 3.31Å; D322-I324 VanDerWaalsContact C-N 3.28Å; D322-I324 PolarHBondContact O-N 3.28Å; I324-W326 VanDerWaalsContact C-N 3.3Å; I324-W326 HydrophobicContact CD1-CB 4.38Å; I324-W326 HydrophobicContact CD1-CD2 4.05Å; I324-W326 HydrophobicContact CD1-CE3 3.91Å; I324-W326 HydrophobicContact CD1-CG 4.26Å; I324-W326 HydrophobicContact CG1-CB 4.07Å; I324-W326 HydrophobicContact CG1-CG 4.23Å; I324-W326 PolarHBondContact O-N 3.49Å
325	Q	98.3	Very high	97.8	Very high	137 Å²	137	65.2 Å²	65.2	64%	0.64	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	39.8	179.1	-53.3	170.9	2.3	0	0	113	F321 D322 Y323	F321-Q325 PolarHBondContact O-N 2.91Å; F321-Q325 VanDerWaalsContact O-N 3.12Å; D322-Q325 PolarHBondContact O-N 3.47Å; Y323-Q325 VanDerWaalsContact C-N 3.26Å; Y323-Q325 PolarHBondContact O-N 3.23Å
326	W	97.7	Very high	97.3	Very high	60 Å²	60	60.3 Å²	60.3	23%	0.227	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-104	144.8	169.1	-90.1	7.5	0	0	0	110.8	F279 M283 H286 F321 I324	F279-W326 HydrophobicContact CE2-CZ3 4.1Å; F279-W326 HydrophobicContact CZ-CZ3 4.2Å; M283-W326 HydrophobicContact CB-CH2 4.02Å; M283-W326 HydrophobicContact CB-CZ3 3.61Å; M283-W326 HydrophobicContact CG-CE3 4.06Å; M283-W326 HydrophobicContact CG-CH2 4.38Å; M283-W326 HydrophobicContact CG-CZ3 3.63Å; M283-W326 HydrophobicContact SD-CZ3 4.4Å; H286-W326 HydrophobicContact CB-CH2 4.42Å; H286-W326 HydrophobicContact CB-CZ2 3.79Å; H286-W326 AromaticContact CD2-CD1 3.73Å; H286-W326 AromaticContact CD2-CE2 3.67Å; H286-W326 AromaticContact CD2-NE1 3.36Å; H286-W326 PolarHBondContact CD2-NE1 2.81Å; H286-W326 AromaticContact CE1-CD1 3.73Å; H286-W326 AromaticContact CE1-NE1 3.28Å; H286-W326 PolarHBondContact CE1-NE1 3.46Å; H286-W326 VanDerWaalsContact CE1-NE1 3.28Å; H286-W326 AromaticContact CG-CE2 3.68Å; H286-W326 AromaticContact CG-CZ2 3.79Å; H286-W326 AromaticContact CG-NE1 3.48Å; H286-W326 AromaticContact ND1-NE1 3.41Å; H286-W326 PolarHBondContact ND1-NE1 2.91Å; H286-W326 AromaticContact NE2-CD1 3.33Å; H286-W326 VanDerWaalsContact NE2-CD1 3.33Å; H286-W326 AromaticContact NE2-NE1 3.23Å; H286-W326 PolarHBondContact NE2-NE1 3.07Å; F321-W326 CarbonylContact C-O 3.58Å; F321-W326 HydrophobicContact CB-CB 4.36Å; F321-W326 HydrophobicContact CD1-CB 4.01Å; F321-W326 HydrophobicContact CD1-CE3 4.24Å; F321-W326 HydrophobicContact CE1-CE3 4.29Å; F321-W326 PolarHBondContact O-N 2.94Å; I324-W326 VanDerWaalsContact C-N 3.3Å; I324-W326 HydrophobicContact CD1-CB 4.38Å; I324-W326 HydrophobicContact CD1-CD2 4.05Å; I324-W326 HydrophobicContact CD1-CE3 3.91Å; I324-W326 HydrophobicContact CD1-CG 4.26Å; I324-W326 HydrophobicContact CG1-CB 4.07Å; I324-W326 HydrophobicContact CG1-CG 4.23Å; I324-W326 PolarHBondContact O-N 3.49Å
327	K	98.1	Very high	97.2	Very high	189 Å²	189	61.7 Å²	61.7	82%	0.822	28%	0.28	S	S	*	.	P	Polyproline II helix	trans	-65.9	138.4	163.6	-68.2	-173.6	178.3	-176.4	0	108.5	F321 R329	F321-K327 WeakPolarHBondContact CD1-O 3.4Å; K327-R329 PolarHBondContact O-N 3.05Å
328	Y	98.5	Very high	97.2	Very high	66 Å²	66	64.2 Å²	64.2	26%	0.259	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-56	137.8	174.6	-175.8	-113.4	0	0	0	110.5	E317 K318 F321 E330 R334	E317-Y328 HydrophobicContact CB-CE2 4Å; K318-Y328 HydrophobicContact CB-CD2 3.87Å; K318-Y328 HydrophobicContact CB-CE2 4.33Å; K318-Y328 HydrophobicContact CB-CG 4.27Å; K318-Y328 HydrophobicContact CG-CD2 4.31Å; K318-Y328 HydrophobicContact CG-CG 4.33Å; F321-Y328 AromaticContact CD2-CD2 3.69Å; F321-Y328 HydrophobicContact CD2-CD2 3.69Å; F321-Y328 HydrophobicContact CD2-CE2 4.15Å; F321-Y328 AromaticContact CE2-CD2 3.83Å; F321-Y328 HydrophobicContact CE2-CD2 3.83Å; F321-Y328 AromaticContact CE2-CE2 3.91Å; F321-Y328 HydrophobicContact CE2-CE2 3.91Å; F321-Y328 HydrophobicContact CG-CD2 4.06Å; F321-Y328 HydrophobicContact CZ-CD2 4.31Å; F321-Y328 HydrophobicContact CZ-CE2 4.47Å; Y328-E330 HydrophobicContact CE1-CG 4.39Å; Y328-E330 WeakPolarHBondContact CE1-OE1 3.48Å; Y328-R334 VanDerWaalsContact CE2-NH2 3.32Å; Y328-R334 PolarHBondContact OH-NH2 3.17Å; Y328-R334 VanDerWaalsContact OH-NH2 3.16Å
329	R	98.1	Very high	97.1	Very high	61 Å²	61	62.4 Å²	62.4	23%	0.23	28%	0.284	C	S	.	.			trans	-121.4	127	175.1	-70.8	171.9	63.8	-170.5	-0.3	108.1	F321 K327 E333 R334 E336	F321-R329 HydrophobicContact CE1-CB 4.03Å; F321-R329 HydrophobicContact CE1-CG 4.48Å; K327-R329 PolarHBondContact O-N 3.05Å; R329-E333 VanDerWaalsContact CA-OE2 3.27Å; R329-E333 WeakPolarHBondContact CA-OE2 3.48Å; R329-E333 HydrophobicContact CB-CB 4.26Å; R329-E333 PolarHBondContact NH2-O 2.87Å; R329-R334 HydrophobicContact CB-CG 4.44Å; R329-R334 VanDerWaalsContact O-CZ 3.23Å; R329-R334 PolarHBondContact O-NE 3.42Å; R329-R334 PolarHBondContact O-NH2 3.21Å; R329-E336 IonicContact CZ-OE1 3.09Å; R329-E336 VanDerWaalsContact CZ-OE1 3.24Å; R329-E336 IonicContact NH1-OE1 3Å; R329-E336 PolarHBondContact NH1-OE1 3.38Å; R329-E336 IonicContact NH2-OE1 3.13Å; R329-E336 PolarHBondContact NH2-OE1 2.7Å
330	E	98.4	Very high	97	Very high	89 Å²	89	63.4 Å²	63.4	42%	0.416	29%	0.286	S	S	.	.			trans	-63.3	152.9	176.7	-68.1	-62.1	167.4	0	0	110.6	Y328 K332 E333 R334	Y328-E330 HydrophobicContact CE1-CG 4.39Å; Y328-E330 WeakPolarHBondContact CE1-OE1 3.48Å; E330-K332 HydrophobicContact CB-CG 4.17Å; E330-K332 PolarHBondContact O-N 2.92Å; E330-E333 HydrophobicContact CB-CG 4.28Å; E330-E333 PolarHBondContact N-OE2 3.01Å; E330-E333 WeakPolarHBondContact O-CA 3.36Å; E330-E333 WeakPolarHBondContact O-CB 3.23Å; E330-E333 PolarHBondContact O-N 3.33Å; E330-R334 WeakPolarHBondContact O-CG 3.29Å
331	P	98.4	Very high	96.9	Very high	15 Å²	15	67.4 Å²	67.4	10%	0.097	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-47.1	-41.6	178.6	-32.9	38.2	0	0	0	114.4	R182 R183 T274 E333 R334	R182-P331 HydrophobicContact CG-CB 4.34Å; R182-P331 WeakPolarHBondContact O-CB 3.31Å; R183-P331 WeakPolarHBondContact CB-O 3.36Å; R183-P331 VanDerWaalsContact CG-O 3.26Å; R183-P331 WeakPolarHBondContact CG-O 3.46Å; T274-P331 HydrophobicContact CG2-CB 3.89Å; T274-P331 HydrophobicContact CG2-CG 4.44Å; P331-E333 PolarHBondContact O-N 3.44Å; P331-R334 WeakPolarHBondContact O-CB 3.41Å; P331-R334 PolarHBondContact O-N 3.27Å
332	K	97.1	Very high	96.7	Very high	153 Å²	153	71.9 Å²	71.9	67%	0.665	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-61.5	-25.7	178	67.8	-174.9	179.3	-176.8	0	114.3	R183 E330 R334	R183-K332 VanDerWaalsContact O-CA 3.31Å; R183-K332 WeakPolarHBondContact O-CA 3.45Å; E330-K332 HydrophobicContact CB-CG 4.17Å; E330-K332 PolarHBondContact O-N 2.92Å; K332-R334 VanDerWaalsContact C-N 3.31Å
333	E	94.9	Very high	96.6	Very high	98 Å²	98	71.6 Å²	71.6	46%	0.458	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-85.3	-6.4	179.4	-56.3	177.5	133.3	0	0	112	R329 E330 P331	R329-E333 VanDerWaalsContact CA-OE2 3.27Å; R329-E333 WeakPolarHBondContact CA-OE2 3.48Å; R329-E333 HydrophobicContact CB-CB 4.26Å; R329-E333 PolarHBondContact NH2-O 2.87Å; E330-E333 HydrophobicContact CB-CG 4.28Å; E330-E333 PolarHBondContact N-OE2 3.01Å; E330-E333 WeakPolarHBondContact O-CA 3.36Å; E330-E333 WeakPolarHBondContact O-CB 3.23Å; E330-E333 PolarHBondContact O-N 3.33Å; P331-E333 PolarHBondContact O-N 3.44Å
334	R	96.3	Very high	96.5	Very high	0 Å²	0	71.3 Å²	71.3	0%	0	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-95.9	10.1	-175.3	-52.7	175.4	-164.2	169.6	3.2	113.7	G275 S276 F279 E317 Y328 R329 E330 P331 K332 E336	G275-R334 VanDerWaalsContact O-CB 3.23Å; G275-R334 WeakPolarHBondContact O-CB 3.46Å; S276-R334 PolarHBondContact N-O 2.69Å; F279-R334 HydrophobicContact CB-CB 4.38Å; F279-R334 HydrophobicContact CD1-CB 4.09Å; F279-R334 HydrophobicContact CD1-CG 4.23Å; F279-R334 HydrophobicContact CD2-CB 3.88Å; F279-R334 HydrophobicContact CD2-CG 4.04Å; F279-R334 HydrophobicContact CE1-CB 4.41Å; F279-R334 HydrophobicContact CE1-CG 4.04Å; F279-R334 HydrophobicContact CE2-CB 4.21Å; F279-R334 HydrophobicContact CE2-CG 3.83Å; F279-R334 HydrophobicContact CG-CB 3.83Å; F279-R334 HydrophobicContact CG-CG 4.24Å; F279-R334 HydrophobicContact CZ-CB 4.48Å; F279-R334 HydrophobicContact CZ-CG 3.85Å; E317-R334 IonicContact OE2-CZ 2.71Å; E317-R334 VanDerWaalsContact OE2-CZ 3.24Å; E317-R334 IonicContact OE2-NH1 3.6Å; E317-R334 PolarHBondContact OE2-NH1 3.02Å; E317-R334 IonicContact OE2-NH2 3.58Å; E317-R334 PolarHBondContact OE2-NH2 3.36Å; Y328-R334 VanDerWaalsContact CE2-NH2 3.32Å; Y328-R334 PolarHBondContact OH-NH2 3.17Å; Y328-R334 VanDerWaalsContact OH-NH2 3.16Å; R329-R334 HydrophobicContact CB-CG 4.44Å; R329-R334 VanDerWaalsContact O-CZ 3.23Å; R329-R334 PolarHBondContact O-NE 3.42Å; R329-R334 PolarHBondContact O-NH2 3.21Å; E330-R334 WeakPolarHBondContact O-CG 3.29Å; P331-R334 WeakPolarHBondContact O-CB 3.41Å; P331-R334 PolarHBondContact O-N 3.27Å; K332-R334 VanDerWaalsContact C-N 3.31Å; R334-E336 PolarHBondContact O-N 3.14Å
335	S	91.9	Very high	96.3	Very high	34 Å²	34	77.3 Å²	77.3	24%	0.238	35%	0.347	C	S	.	.			trans	-77.6	68.8	176.2	-72.4	0	0	0	0	111.6	K5 R183	K5-S335 VanDerWaalsContact CE-O 3.28Å; K5-S335 WeakPolarHBondContact CE-O 3.47Å; K5-S335 PolarHBondContact NZ-O 3.28Å; R183-S335 PolarHBondContact NE-OG 3.05Å; R183-S335 VanDerWaalsContact NE-OG 3.1Å
336	E	88.3	Confident	96.1	Very high	25 Å²	25	71.8 Å²	71.8	12%	0.117	32%	0.321	C	S	.	.			trans	-84.7	0	178.9	-46.5	-152	144.8	0	0	113.5	S44 K48 S276 I278 F279 N282 R329 R334	S44-E336 WeakPolarHBondContact CB-OXT 3.46Å; S44-E336 VanDerWaalsContact OG-C 3.3Å; S44-E336 PolarHBondContact OG-OXT 3.48Å; K48-E336 VanDerWaalsContact NZ-CB 3.35Å; K48-E336 IonicContact NZ-OE1 2.79Å; K48-E336 PolarHBondContact NZ-OE1 3.27Å; K48-E336 IonicContact NZ-OE2 2.68Å; S276-E336 PolarHBondContact OG-N 3.32Å; S276-E336 PolarHBondContact OG-O 3.5Å; I278-E336 HydrophobicContact CB-CB 4.03Å; I278-E336 WeakPolarHBondContact CD1-O 3.42Å; I278-E336 HydrophobicContact CG2-CB 3.91Å; F279-E336 WeakPolarHBondContact CA-OE2 3.46Å; F279-E336 HydrophobicContact CB-CB 4.36Å; F279-E336 HydrophobicContact CB-CG 3.81Å; F279-E336 HydrophobicContact CD2-CG 4Å; F279-E336 HydrophobicContact CG-CG 4.4Å; N282-E336 PolarHBondContact ND2-OE2 3.49Å; R329-E336 IonicContact CZ-OE1 3.09Å; R329-E336 VanDerWaalsContact CZ-OE1 3.24Å; R329-E336 IonicContact NH1-OE1 3Å; R329-E336 PolarHBondContact NH1-OE1 3.38Å; R329-E336 IonicContact NH2-OE1 3.13Å; R329-E336 PolarHBondContact NH2-OE1 2.7Å; R334-E336 PolarHBondContact O-N 3.14Å

Retrieved 336 of 336 residues in 1213.9 ms (Link to these results)

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