A0A087Y3X7_POEFO Loading...

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 A0A087Y3X7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 338 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	26.8	Very low	42.3	Very low	248 Å²	248	155.5 Å²	155.5	100%	1.222	79%	0.785	S	S	*	*				0	87.2	0	-72.3	-164.1	-91.4	0	0	109.1
2	S	25.6	Very low	46.7	Very low	119 Å²	119	143.1 Å²	143.1	83%	0.832	72%	0.722	S	S	*	*			trans	-83.7	117.2	178.6	-172.6	0	0	0	0	108.5	R4	S2-R4 PolarHBondContact O-N 2.96Å
3	K	26.2	Very low	50.2	Low	200 Å²	200	138.9 Å²	138.9	87%	0.87	70%	0.699	S	S	*	*			trans	-65	99.4	176.9	-70.8	179.6	177.1	179.2	0	108	K5	K3-K5 PolarHBondContact O-N 3.1Å
4	R	33.1	Very low	53.3	Low	245 Å²	245	131.2 Å²	131.2	93%	0.925	67%	0.672	S	S	*	*			trans	-53.6	110.8	161.8	-73.5	179.9	179.4	171.1	-1	106.4	S2 A6	S2-R4 PolarHBondContact O-N 2.96Å; R4-A6 PolarHBondContact O-N 3.01Å; R4-A6 VanDerWaalsContact O-N 3.1Å
5	K	25.8	Very low	56.2	Low	205 Å²	205	122.9 Å²	122.9	89%	0.891	63%	0.629	S	S	*	*			trans	-59.8	113.4	166.8	-113.7	177.9	174.6	-179.4	0	105.5	K3	K3-K5 PolarHBondContact O-N 3.1Å
6	A	28.8	Very low	58.7	Low	80 Å²	80	116.1 Å²	116.1	66%	0.661	60%	0.595	S	S	*	*			trans	-52.2	144.9	168.9	0	0	0	0	0	108.7	R4 Q8	R4-A6 PolarHBondContact O-N 3.01Å; R4-A6 VanDerWaalsContact O-N 3.1Å; A6-Q8 PolarHBondContact O-N 3.12Å; A6-Q8 VanDerWaalsContact O-N 3.15Å
7	P	39.8	Very low	60.7	Low	123 Å²	123	114.3 Å²	114.3	80%	0.799	59%	0.587	S	S	*	*			trans	-54	127	170.3	19.1	-22.8	0	0	0	107.1	E9	P7-E9 PolarHBondContact O-N 3.4Å
8	Q	43.8	Very low	62.7	Low	192 Å²	192	108.4 Å²	108.4	90%	0.897	56%	0.557	S	S	*	*			trans	-64.3	100.8	-176.8	-169.5	171.8	0.2	0	0	107.2	A6 S10	A6-Q8 PolarHBondContact O-N 3.12Å; A6-Q8 VanDerWaalsContact O-N 3.15Å; Q8-S10 PolarHBondContact O-N 2.91Å
9	E	54.1	Low	64.5	Low	165 Å²	165	102.7 Å²	102.7	77%	0.771	53%	0.527	S	S	*	.			trans	-47.2	124.6	168.8	-86.6	-179.7	170.3	0	0	107.5	P7 L11	P7-E9 PolarHBondContact O-N 3.4Å; E9-L11 PolarHBondContact O-N 3.3Å
10	S	72	Confident	66	Low	39 Å²	39	99.8 Å²	99.8	27%	0.273	52%	0.515	S	S	.	.			trans	-63.8	127.8	179.3	165.1	0	0	0	0	107.9	Q8 N12 E13	Q8-S10 PolarHBondContact O-N 2.91Å; S10-N12 PolarHBondContact O-N 2.85Å; S10-E13 WeakPolarHBondContact O-CB 3.11Å; S10-E13 PolarHBondContact O-N 2.78Å
11	L	89.8	Confident	67.4	Low	94 Å²	94	97.7 Å²	97.7	49%	0.492	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-21.9	-177.1	-70.6	170.4	0	0	0	113.6	E9 P50	E9-L11 PolarHBondContact O-N 3.3Å; L11-P50 VanDerWaalsContact CD1-C 3.47Å; L11-P50 WeakPolarHBondContact CD1-O 3.44Å
12	N	94.6	Very high	70.7	Confident	7 Å²	7	85.9 Å²	85.9	4%	0.037	44%	0.444	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.2	25.3	-176.1	-57.9	-65.4	0	0	0	112.2	S10 G14 I15 T16 I46 N51 K52 I53	S10-N12 PolarHBondContact O-N 2.85Å; N12-G14 PolarHBondContact O-N 2.78Å; N12-I15 HydrophobicContact CB-CB 4.49Å; N12-I15 HydrophobicContact CB-CD1 4.47Å; N12-I15 WeakPolarHBondContact O-CA 3.45Å; N12-I15 WeakPolarHBondContact O-CB 3.1Å; N12-I15 PolarHBondContact O-N 3.41Å; N12-T16 PolarHBondContact O-N 3.01Å; N12-T16 PolarHBondContact O-OG1 3.37Å; N12-I46 HydrophobicContact CB-CG2 3.52Å; N12-N51 PolarHBondContact ND2-O 3.05Å; N12-K52 WeakPolarHBondContact OD1-CA 3.44Å; N12-I53 PolarHBondContact OD1-N 3.04Å
13	E	92.3	Very high	74	Confident	89 Å²	89	80.2 Å²	80.2	42%	0.416	40%	0.404	S	S	.	.	H	α-helix	trans	-49.8	-50.6	-173.9	-170.1	165.7	-175.8	0	0	113.2	S10 I15 T16 D17	S10-E13 WeakPolarHBondContact O-CB 3.11Å; S10-E13 PolarHBondContact O-N 2.78Å; E13-I15 PolarHBondContact O-N 2.89Å; E13-I15 VanDerWaalsContact O-N 3.15Å; E13-T16 WeakPolarHBondContact CA-OG1 3.46Å; E13-T16 PolarHBondContact O-N 2.98Å; E13-T16 PolarHBondContact O-OG1 3.42Å; E13-D17 WeakPolarHBondContact O-CB 3.5Å; E13-D17 PolarHBondContact O-N 3.41Å
14	G	93.9	Very high	77.2	Confident	31 Å²	31	73.7 Å²	73.7	32%	0.32	38%	0.379	S	S	.	.	H	α-helix	trans	-58.8	-32.6	178	0	0	0	0	0	114.1	N12 F18 F76	N12-G14 PolarHBondContact O-N 2.78Å; G14-F18 WeakPolarHBondContact O-CD1 3.26Å; G14-F18 PolarHBondContact O-N 2.74Å; G14-F76 WeakPolarHBondContact O-CZ 3.42Å
15	I	96.1	Very high	80.1	Confident	6 Å²	6	63.7 Å²	63.7	3%	0.031	34%	0.342	C	S	.	.	H	α-helix	trans	-71.4	-47	174.4	-64.2	170.1	0	0	0	110.2	N12 E13 D17 F18 L19 I46 I53 I73 F76 L77	N12-I15 HydrophobicContact CB-CB 4.49Å; N12-I15 HydrophobicContact CB-CD1 4.47Å; N12-I15 WeakPolarHBondContact O-CA 3.45Å; N12-I15 WeakPolarHBondContact O-CB 3.1Å; N12-I15 PolarHBondContact O-N 3.41Å; E13-I15 PolarHBondContact O-N 2.89Å; E13-I15 VanDerWaalsContact O-N 3.15Å; I15-D17 VanDerWaalsContact C-N 3.29Å; I15-D17 PolarHBondContact O-N 3.28Å; I15-F18 HydrophobicContact CB-CE1 4.04Å; I15-F18 HydrophobicContact CG1-CE1 4.2Å; I15-F18 HydrophobicContact CG2-CE1 3.79Å; I15-F18 HydrophobicContact CG2-CZ 4.18Å; I15-F18 WeakPolarHBondContact O-CD1 3.17Å; I15-L19 HydrophobicContact CG2-CD1 3.87Å; I15-L19 HydrophobicContact CG2-CG 4.48Å; I15-L19 VanDerWaalsContact O-CG 3.22Å; I15-L19 WeakPolarHBondContact O-CG 3.45Å; I15-L19 PolarHBondContact O-N 3.28Å; I15-I46 HydrophobicContact CB-CG2 4.42Å; I15-I46 HydrophobicContact CG2-CD1 3.88Å; I15-I46 HydrophobicContact CG2-CG2 4.05Å; I15-I53 HydrophobicContact CD1-CB 4Å; I15-I53 HydrophobicContact CD1-CD1 4.41Å; I15-I53 HydrophobicContact CD1-CG2 4.22Å; I15-I73 HydrophobicContact CD1-CG2 4Å; I15-I73 HydrophobicContact CG2-CD1 4.08Å; I15-I73 HydrophobicContact CG2-CG1 3.91Å; I15-F76 HydrophobicContact CG1-CD1 3.94Å; I15-F76 HydrophobicContact CG1-CE1 4.13Å; I15-L77 HydrophobicContact CD1-CD2 4.38Å
16	T	95.9	Very high	83.4	Confident	15 Å²	15	54 Å²	54	9%	0.092	30%	0.3	C	S	.	.	H	α-helix	trans	-63.7	-37.8	-179.5	52.6	0	0	0	0	111.8	N12 E13 L19 V20 A43 I46 A47	N12-T16 PolarHBondContact O-N 3.01Å; N12-T16 PolarHBondContact O-OG1 3.37Å; E13-T16 WeakPolarHBondContact CA-OG1 3.46Å; E13-T16 PolarHBondContact O-N 2.98Å; E13-T16 PolarHBondContact O-OG1 3.42Å; T16-L19 PolarHBondContact O-N 2.87Å; T16-V20 VanDerWaalsContact O-CG2 3.3Å; T16-V20 WeakPolarHBondContact O-CG2 3.4Å; T16-V20 PolarHBondContact O-N 3.25Å; T16-A43 WeakPolarHBondContact CG2-O 3.31Å; T16-I46 HydrophobicContact CG2-CB 4.18Å; T16-I46 HydrophobicContact CG2-CG2 3.81Å; T16-A47 HydrophobicContact CG2-CB 3.99Å
17	D	94.1	Very high	86.5	Confident	85 Å²	85	54 Å²	54	46%	0.455	29%	0.285	S	S	.	.	H	α-helix	trans	-64	-49.7	-179.3	-70.2	-9.5	0	0	0	111.7	E13 I15 L19 V20 E21	E13-D17 WeakPolarHBondContact O-CB 3.5Å; E13-D17 PolarHBondContact O-N 3.41Å; I15-D17 VanDerWaalsContact C-N 3.29Å; I15-D17 PolarHBondContact O-N 3.28Å; D17-L19 PolarHBondContact O-N 3.46Å; D17-V20 PolarHBondContact O-N 2.93Å; D17-V20 VanDerWaalsContact O-N 3.15Å; D17-E21 PolarHBondContact O-N 3.2Å
18	F	95.4	Very high	88.9	Confident	8 Å²	8	48.9 Å²	48.9	4%	0.035	25%	0.251	C	S	.	.	H	α-helix	trans	-65.6	-33	179.7	89.9	-116.4	0	0	0	111.2	G14 I15 E21 L22 K72 I73 F76 L82 L85	G14-F18 WeakPolarHBondContact O-CD1 3.26Å; G14-F18 PolarHBondContact O-N 2.74Å; I15-F18 HydrophobicContact CB-CE1 4.04Å; I15-F18 HydrophobicContact CG1-CE1 4.2Å; I15-F18 HydrophobicContact CG2-CE1 3.79Å; I15-F18 HydrophobicContact CG2-CZ 4.18Å; I15-F18 WeakPolarHBondContact O-CD1 3.17Å; F18-E21 PolarHBondContact O-N 3.27Å; F18-L22 HydrophobicContact CD2-CD1 3.86Å; F18-L22 HydrophobicContact CE2-CD1 4.09Å; F18-L22 WeakPolarHBondContact O-CB 3.41Å; F18-L22 WeakPolarHBondContact O-CG 3.22Å; F18-L22 PolarHBondContact O-N 3.35Å; F18-K72 HydrophobicContact CE2-CB 4.01Å; F18-K72 HydrophobicContact CZ-CB 4.2Å; F18-I73 HydrophobicContact CE1-CG1 4.42Å; F18-I73 HydrophobicContact CZ-CG1 3.88Å; F18-F76 HydrophobicContact CD1-CB 4.17Å; F18-F76 HydrophobicContact CD1-CD1 4.08Å; F18-F76 AromaticContact CD1-CD2 3.84Å; F18-F76 HydrophobicContact CD1-CD2 3.84Å; F18-F76 HydrophobicContact CD1-CE1 4.46Å; F18-F76 HydrophobicContact CD1-CE2 4.24Å; F18-F76 AromaticContact CD1-CG 3.74Å; F18-F76 HydrophobicContact CD1-CG 3.74Å; F18-F76 HydrophobicContact CE1-CB 3.79Å; F18-F76 HydrophobicContact CE1-CD1 4.01Å; F18-F76 HydrophobicContact CE1-CD2 4.32Å; F18-F76 AromaticContact CE1-CG 3.77Å; F18-F76 HydrophobicContact CE1-CG 3.77Å; F18-L82 HydrophobicContact CD2-CD2 4.18Å; F18-L82 HydrophobicContact CE2-CD2 4.42Å; F18-L85 HydrophobicContact CB-CD1 3.64Å
19	L	97	Very high	91.1	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-68	-40	175.2	-68.4	171.2	0	0	0	111.3	I15 T16 D17 L22 A23 Y39 A42 A43 I46 I69	I15-L19 HydrophobicContact CG2-CD1 3.87Å; I15-L19 HydrophobicContact CG2-CG 4.48Å; I15-L19 VanDerWaalsContact O-CG 3.22Å; I15-L19 WeakPolarHBondContact O-CG 3.45Å; I15-L19 PolarHBondContact O-N 3.28Å; T16-L19 PolarHBondContact O-N 2.87Å; D17-L19 PolarHBondContact O-N 3.46Å; L19-L22 PolarHBondContact O-N 3.12Å; L19-A23 WeakPolarHBondContact O-CB 3.49Å; L19-A23 PolarHBondContact O-N 3.26Å; L19-Y39 HydrophobicContact CD2-CD1 3.7Å; L19-Y39 HydrophobicContact CD2-CE1 4.12Å; L19-A42 HydrophobicContact CD1-CB 4.28Å; L19-A43 HydrophobicContact CB-CB 3.98Å; L19-A43 HydrophobicContact CD1-CB 4.41Å; L19-I46 HydrophobicContact CD1-CD1 3.67Å; L19-I69 HydrophobicContact CD2-CG2 3.74Å
20	V	95.1	Very high	92.9	Very high	45 Å²	45	36 Å²	36	27%	0.273	19%	0.194	S	C	.	.	H	α-helix	trans	-64.9	-42.3	174.3	169.3	0	0	0	0	110.7	T16 D17 A23 N24 A43	T16-V20 VanDerWaalsContact O-CG2 3.3Å; T16-V20 WeakPolarHBondContact O-CG2 3.4Å; T16-V20 PolarHBondContact O-N 3.25Å; D17-V20 PolarHBondContact O-N 2.93Å; D17-V20 VanDerWaalsContact O-N 3.15Å; V20-A23 WeakPolarHBondContact O-CB 3.37Å; V20-A23 PolarHBondContact O-N 2.87Å; V20-N24 PolarHBondContact O-N 3.35Å; V20-N24 PolarHBondContact O-ND2 3.06Å; V20-A43 HydrophobicContact CG2-CB 4.09Å
21	E	94.4	Very high	93.8	Very high	55 Å²	55	41.8 Å²	41.8	26%	0.257	21%	0.21	S	C	.	.	H	α-helix	trans	-62	-45.3	175.6	-168.3	180	162	0	0	111.6	D17 F18 A23 N24 Y25 L85 R89	D17-E21 PolarHBondContact O-N 3.2Å; F18-E21 PolarHBondContact O-N 3.27Å; E21-A23 VanDerWaalsContact C-N 3.32Å; E21-A23 PolarHBondContact O-N 2.94Å; E21-N24 PolarHBondContact O-N 3.1Å; E21-Y25 PolarHBondContact O-N 3.2Å; E21-L85 HydrophobicContact CB-CD1 4.36Å; E21-L85 HydrophobicContact CB-CD2 4.2Å; E21-L85 HydrophobicContact CG-CD2 3.79Å; E21-R89 IonicContact OE1-CZ 3.75Å; E21-R89 IonicContact OE1-NE 2.68Å; E21-R89 PolarHBondContact OE1-NE 3.47Å; E21-R89 IonicContact OE1-NH2 2.93Å; E21-R89 PolarHBondContact OE1-NH2 3.14Å; E21-R89 IonicContact OE2-CZ 3.47Å; E21-R89 IonicContact OE2-NE 3.3Å; E21-R89 IonicContact OE2-NH2 2.74Å; E21-R89 PolarHBondContact OE2-NH2 2.75Å
22	L	96	Very high	94	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-61.4	-39.9	172.9	-76.5	174.3	0	0	0	112.1	F18 L19 Y25 E26 Y39 K72 L82 K84 L85 I88	F18-L22 HydrophobicContact CD2-CD1 3.86Å; F18-L22 HydrophobicContact CE2-CD1 4.09Å; F18-L22 WeakPolarHBondContact O-CB 3.41Å; F18-L22 WeakPolarHBondContact O-CG 3.22Å; F18-L22 PolarHBondContact O-N 3.35Å; L19-L22 PolarHBondContact O-N 3.12Å; L22-Y25 PolarHBondContact O-N 2.82Å; L22-E26 VanDerWaalsContact O-CG 3.28Å; L22-E26 WeakPolarHBondContact O-CG 3.47Å; L22-E26 PolarHBondContact O-N 3.48Å; L22-Y39 HydrophobicContact CB-CD1 4.21Å; L22-Y39 HydrophobicContact CB-CD2 4.11Å; L22-Y39 HydrophobicContact CB-CE1 4.15Å; L22-Y39 HydrophobicContact CB-CE2 4.06Å; L22-Y39 HydrophobicContact CB-CG 4.2Å; L22-Y39 HydrophobicContact CD1-CD1 4.36Å; L22-Y39 HydrophobicContact CD1-CE1 3.74Å; L22-K72 HydrophobicContact CD1-CD 3.82Å; L22-L82 HydrophobicContact CD1-CD2 3.83Å; L22-L82 HydrophobicContact CD2-CD2 4.49Å; L22-L82 HydrophobicContact CG-CD2 4.48Å; L22-K84 HydrophobicContact CD2-CD 4.16Å; L22-K84 HydrophobicContact CD2-CG 4.4Å; L22-L85 HydrophobicContact CD2-CD2 3.64Å; L22-L85 HydrophobicContact CD2-CG 4.02Å; L22-L85 HydrophobicContact CG-CD1 4.39Å; L22-L85 HydrophobicContact CG-CD2 3.9Å; L22-L85 HydrophobicContact CG-CG 4.16Å; L22-I88 HydrophobicContact CD2-CD1 4.3Å
23	A	95.9	Very high	93.9	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-59	-51.8	176.1	0	0	0	0	0	110.1	L19 V20 E21 Y25 E26 K27 Y36 R40	L19-A23 WeakPolarHBondContact O-CB 3.49Å; L19-A23 PolarHBondContact O-N 3.26Å; V20-A23 WeakPolarHBondContact O-CB 3.37Å; V20-A23 PolarHBondContact O-N 2.87Å; E21-A23 VanDerWaalsContact C-N 3.32Å; E21-A23 PolarHBondContact O-N 2.94Å; A23-Y25 VanDerWaalsContact C-N 3.32Å; A23-Y25 PolarHBondContact O-N 3.47Å; A23-E26 PolarHBondContact O-N 3.27Å; A23-E26 VanDerWaalsContact O-N 3.12Å; A23-K27 PolarHBondContact O-N 2.83Å; A23-Y36 HydrophobicContact CB-CD2 3.74Å; A23-Y36 HydrophobicContact CB-CE2 4.19Å; A23-Y36 WeakPolarHBondContact O-CD2 3.43Å; A23-R40 HydrophobicContact CB-CG 3.97Å
24	N	92.9	Very high	93.9	Very high	64 Å²	64	45.5 Å²	45.5	34%	0.342	23%	0.23	S	C	.	.	H	α-helix	trans	-59.2	-43.7	-179.8	-70.1	-19.8	0	0	0	111.3	V20 E21 E26 K27 N28	V20-N24 PolarHBondContact O-N 3.35Å; V20-N24 PolarHBondContact O-ND2 3.06Å; E21-N24 PolarHBondContact O-N 3.1Å; N24-E26 PolarHBondContact O-N 3.06Å; N24-K27 PolarHBondContact O-N 2.97Å; N24-N28 VanDerWaalsContact O-CB 3.23Å; N24-N28 WeakPolarHBondContact O-CB 3.46Å; N24-N28 PolarHBondContact O-N 3.24Å; N24-N28 PolarHBondContact O-ND2 3.05Å
25	Y	93.5	Very high	93.9	Very high	35 Å²	35	49.3 Å²	49.3	14%	0.137	24%	0.238	C	C	.	.	H	α-helix	trans	-58	-47.6	173.1	174.7	-100.7	0	0	0	112.6	E21 L22 A23 K27 V29 N30 I88	E21-Y25 PolarHBondContact O-N 3.2Å; L22-Y25 PolarHBondContact O-N 2.82Å; A23-Y25 VanDerWaalsContact C-N 3.32Å; A23-Y25 PolarHBondContact O-N 3.47Å; Y25-K27 VanDerWaalsContact C-N 3.3Å; Y25-K27 PolarHBondContact O-N 3.17Å; Y25-V29 HydrophobicContact CD2-CB 3.68Å; Y25-V29 HydrophobicContact CD2-CG1 4.26Å; Y25-V29 HydrophobicContact CD2-CG2 3.59Å; Y25-V29 HydrophobicContact CE2-CB 3.56Å; Y25-V29 HydrophobicContact CE2-CG1 3.62Å; Y25-V29 HydrophobicContact CE2-CG2 3.78Å; Y25-V29 HydrophobicContact CG-CB 4.41Å; Y25-V29 WeakPolarHBondContact O-CA 3.43Å; Y25-V29 WeakPolarHBondContact O-CB 3.3Å; Y25-V29 PolarHBondContact O-N 3.15Å; Y25-N30 VanDerWaalsContact CE1-ND2 3.33Å; Y25-N30 WeakPolarHBondContact CE1-ND2 3.47Å; Y25-N30 PolarHBondContact O-N 3.01Å; Y25-N30 VanDerWaalsContact O-N 3.13Å; Y25-I88 HydrophobicContact CD1-CD1 3.59Å; Y25-I88 HydrophobicContact CD1-CG1 4.37Å; Y25-I88 HydrophobicContact CD2-CB 4.28Å; Y25-I88 HydrophobicContact CD2-CD1 3.88Å; Y25-I88 HydrophobicContact CD2-CG1 3.93Å; Y25-I88 HydrophobicContact CD2-CG2 3.34Å; Y25-I88 HydrophobicContact CE1-CD1 3.68Å; Y25-I88 HydrophobicContact CE1-CG1 4.13Å; Y25-I88 HydrophobicContact CE2-CB 4.28Å; Y25-I88 HydrophobicContact CE2-CD1 3.97Å; Y25-I88 HydrophobicContact CE2-CG1 3.68Å; Y25-I88 HydrophobicContact CE2-CG2 3.66Å; Y25-I88 HydrophobicContact CG-CD1 3.68Å; Y25-I88 HydrophobicContact CG-CG1 4.26Å; Y25-I88 HydrophobicContact CG-CG2 4.05Å
26	E	95.5	Very high	93.9	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-64.9	-34.8	179.9	-64.8	-71.3	172.4	0	0	111.8	L22 A23 N24 N30 R31 A32 K35 Y39 K84	L22-E26 VanDerWaalsContact O-CG 3.28Å; L22-E26 WeakPolarHBondContact O-CG 3.47Å; L22-E26 PolarHBondContact O-N 3.48Å; A23-E26 PolarHBondContact O-N 3.27Å; A23-E26 VanDerWaalsContact O-N 3.12Å; N24-E26 PolarHBondContact O-N 3.06Å; E26-N30 CarbonylContact O-C 3.53Å; E26-N30 PolarHBondContact O-N 3Å; E26-N30 WeakPolarHBondContact OE2-CB 3.32Å; E26-N30 PolarHBondContact OE2-ND2 3.29Å; E26-R31 PolarHBondContact O-N 2.93Å; E26-A32 HydrophobicContact CB-CB 4.49Å; E26-A32 PolarHBondContact O-N 2.92Å; E26-K35 HydrophobicContact CB-CB 3.95Å; E26-K35 HydrophobicContact CG-CB 3.91Å; E26-K35 HydrophobicContact CG-CD 4.33Å; E26-K35 VanDerWaalsContact OE2-CD 3.24Å; E26-K35 WeakPolarHBondContact OE2-CD 3.42Å; E26-K35 IonicContact OE2-NZ 3.79Å; E26-Y39 HydrophobicContact CG-CD2 4.06Å; E26-Y39 HydrophobicContact CG-CE2 3.77Å; E26-K84 IonicContact OE1-NZ 3.95Å; E26-K84 PolarHBondContact OE1-NZ 3.3Å
27	K	94.1	Very high	93.8	Very high	80 Å²	80	51.7 Å²	51.7	35%	0.348	25%	0.248	S	C	.	.	H	α-helix	trans	-70.6	-52.7	175.4	-177.9	-178	173.7	-174.3	0	112.1	A23 N24 Y25 R31 Y36	A23-K27 PolarHBondContact O-N 2.83Å; N24-K27 PolarHBondContact O-N 2.97Å; Y25-K27 VanDerWaalsContact C-N 3.3Å; Y25-K27 PolarHBondContact O-N 3.17Å; K27-R31 WeakPolarHBondContact O-CA 3.3Å; K27-R31 PolarHBondContact O-N 2.81Å; K27-Y36 HydrophobicContact CB-CD2 3.65Å; K27-Y36 HydrophobicContact CB-CE2 4.36Å; K27-Y36 HydrophobicContact CB-CG 3.88Å; K27-Y36 HydrophobicContact CD-CD2 3.91Å; K27-Y36 HydrophobicContact CD-CE1 4.43Å; K27-Y36 HydrophobicContact CD-CE2 3.81Å; K27-Y36 HydrophobicContact CD-CG 4.27Å; K27-Y36 HydrophobicContact CG-CD2 4.29Å; K27-Y36 HydrophobicContact CG-CG 4.39Å
28	N	90.4	Very high	93.8	Very high	16 Å²	16	49.9 Å²	49.9	9%	0.086	25%	0.245	C	C	.	.	H	α-helix	trans	-84.1	-41.1	-166.9	-61.2	-19.6	0	0	0	111.8	N24 I97 N98 T101 P108 R112	N24-N28 VanDerWaalsContact O-CB 3.23Å; N24-N28 WeakPolarHBondContact O-CB 3.46Å; N24-N28 PolarHBondContact O-N 3.24Å; N24-N28 PolarHBondContact O-ND2 3.05Å; N28-I97 HydrophobicContact CB-CG2 4.25Å; N28-I97 WeakPolarHBondContact O-CG2 3.29Å; N28-N98 VanDerWaalsContact CB-OD1 3.29Å; N28-N98 WeakPolarHBondContact CB-OD1 3.41Å; N28-N98 PolarHBondContact ND2-OD1 3.33Å; N28-T101 HydrophobicContact CB-CG2 4.2Å; N28-T101 PolarHBondContact ND2-OG1 3.03Å; N28-T101 VanDerWaalsContact ND2-OG1 3.09Å; N28-P108 WeakPolarHBondContact O-CB 3.41Å; N28-R112 PolarHBondContact O-NH2 2.82Å
29	V	90.1	Very high	93.9	Very high	13 Å²	13	50.5 Å²	50.5	8%	0.079	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97	-51	-177.6	-173.2	0	0	0	0	110.9	Y25 R31 I97 R112	Y25-V29 HydrophobicContact CD2-CB 3.68Å; Y25-V29 HydrophobicContact CD2-CG1 4.26Å; Y25-V29 HydrophobicContact CD2-CG2 3.59Å; Y25-V29 HydrophobicContact CE2-CB 3.56Å; Y25-V29 HydrophobicContact CE2-CG1 3.62Å; Y25-V29 HydrophobicContact CE2-CG2 3.78Å; Y25-V29 HydrophobicContact CG-CB 4.41Å; Y25-V29 WeakPolarHBondContact O-CA 3.43Å; Y25-V29 WeakPolarHBondContact O-CB 3.3Å; Y25-V29 PolarHBondContact O-N 3.15Å; V29-R31 PolarHBondContact O-N 3.37Å; V29-I97 HydrophobicContact CG2-CB 4.34Å; V29-I97 HydrophobicContact CG2-CG2 4.13Å; V29-R112 PolarHBondContact O-NH1 3.15Å; V29-R112 PolarHBondContact O-NH2 3.48Å
30	N	91.4	Very high	93.9	Very high	73 Å²	73	53.5 Å²	53.5	39%	0.39	26%	0.258	S	S	.	.	S	Bend	trans	-84.4	-11.5	-178.5	-69.1	-20.8	0	0	0	114.7	Y25 E26 A32	Y25-N30 VanDerWaalsContact CE1-ND2 3.33Å; Y25-N30 WeakPolarHBondContact CE1-ND2 3.47Å; Y25-N30 PolarHBondContact O-N 3.01Å; Y25-N30 VanDerWaalsContact O-N 3.13Å; E26-N30 CarbonylContact O-C 3.53Å; E26-N30 PolarHBondContact O-N 3Å; E26-N30 WeakPolarHBondContact OE2-CB 3.32Å; E26-N30 PolarHBondContact OE2-ND2 3.29Å; N30-A32 HydrophobicContact CB-CB 4.1Å; N30-A32 PolarHBondContact O-N 2.82Å; N30-A32 VanDerWaalsContact O-N 3.12Å
31	R	91.1	Very high	93.9	Very high	161 Å²	161	54.1 Å²	54.1	61%	0.608	26%	0.257	S	S	*	.			trans	52.6	28.6	-171.7	-71.6	166.6	73	-177.4	4	113.2	E26 K27 V29 I33 P108	E26-R31 PolarHBondContact O-N 2.93Å; K27-R31 WeakPolarHBondContact O-CA 3.3Å; K27-R31 PolarHBondContact O-N 2.81Å; V29-R31 PolarHBondContact O-N 3.37Å; R31-I33 PolarHBondContact O-N 3.03Å; R31-P108 HydrophobicContact CG-CB 3.88Å
32	A	94.3	Very high	94	Very high	26 Å²	26	51.5 Å²	51.5	22%	0.215	25%	0.245	C	C	.	.			trans	-95.7	78.9	-177.3	0	0	0	0	0	110.6	E26 N30 H34 K35 Y36	E26-A32 HydrophobicContact CB-CB 4.49Å; E26-A32 PolarHBondContact O-N 2.92Å; N30-A32 HydrophobicContact CB-CB 4.1Å; N30-A32 PolarHBondContact O-N 2.82Å; N30-A32 VanDerWaalsContact O-N 3.12Å; A32-H34 VanDerWaalsContact C-N 3.27Å; A32-H34 PolarHBondContact O-N 3.12Å; A32-K35 HydrophobicContact CB-CB 4.09Å; A32-K35 HydrophobicContact CB-CD 4Å; A32-K35 HydrophobicContact CB-CG 4.21Å; A32-K35 PolarHBondContact O-N 3.42Å; A32-Y36 PolarHBondContact O-N 3.49Å
33	I	91.8	Very high	94	Very high	84 Å²	84	51.8 Å²	51.8	43%	0.431	25%	0.248	S	C	.	.	H	α-helix	trans	-59.2	-34.7	-173.9	-164.4	62.7	0	0	0	113.4	R31 K35 Y36 N37	R31-I33 PolarHBondContact O-N 3.03Å; I33-K35 VanDerWaalsContact C-N 3.34Å; I33-K35 PolarHBondContact O-N 3Å; I33-Y36 HydrophobicContact CD1-CD1 3.77Å; I33-Y36 HydrophobicContact CD1-CE1 4.42Å; I33-Y36 HydrophobicContact CD1-CG 4.45Å; I33-N37 WeakPolarHBondContact O-CB 3.43Å; I33-N37 PolarHBondContact O-N 2.93Å; I33-N37 PolarHBondContact O-ND2 3.47Å
34	H	93.1	Very high	93.9	Very high	157 Å²	157	52 Å²	52	73%	0.727	25%	0.249	S	C	*	.	H	α-helix	trans	-66.1	-35.9	176.6	-61.1	-65.9	0	0	0	112.3	A32 N37 A38	A32-H34 VanDerWaalsContact C-N 3.27Å; A32-H34 PolarHBondContact O-N 3.12Å; H34-N37 WeakPolarHBondContact O-CB 3.33Å; H34-A38 PolarHBondContact O-N 3Å
35	K	94.8	Very high	93.9	Very high	112 Å²	112	50.7 Å²	50.7	49%	0.487	24%	0.243	S	C	.	.	H	α-helix	trans	-74	-43	176.3	-70.3	-177.3	178.9	173.4	0	112	E26 A32 I33 N37 A38 Y39	E26-K35 HydrophobicContact CB-CB 3.95Å; E26-K35 HydrophobicContact CG-CB 3.91Å; E26-K35 HydrophobicContact CG-CD 4.33Å; E26-K35 VanDerWaalsContact OE2-CD 3.24Å; E26-K35 WeakPolarHBondContact OE2-CD 3.42Å; E26-K35 IonicContact OE2-NZ 3.79Å; A32-K35 HydrophobicContact CB-CB 4.09Å; A32-K35 HydrophobicContact CB-CD 4Å; A32-K35 HydrophobicContact CB-CG 4.21Å; A32-K35 PolarHBondContact O-N 3.42Å; I33-K35 VanDerWaalsContact C-N 3.34Å; I33-K35 PolarHBondContact O-N 3Å; K35-N37 PolarHBondContact O-N 3.14Å; K35-A38 PolarHBondContact O-N 3.25Å; K35-A38 VanDerWaalsContact O-N 3.13Å; K35-Y39 VanDerWaalsContact O-CD2 3.28Å; K35-Y39 WeakPolarHBondContact O-CD2 3.44Å; K35-Y39 PolarHBondContact O-N 3.2Å
36	Y	95.5	Very high	94	Very high	31 Å²	31	49 Å²	49	12%	0.122	24%	0.237	C	C	.	.	H	α-helix	trans	-49.7	-50.4	170.7	162.4	-100.9	0	0	0	110.8	A23 K27 A32 I33 A38 Y39 R40	A23-Y36 HydrophobicContact CB-CD2 3.74Å; A23-Y36 HydrophobicContact CB-CE2 4.19Å; A23-Y36 WeakPolarHBondContact O-CD2 3.43Å; K27-Y36 HydrophobicContact CB-CD2 3.65Å; K27-Y36 HydrophobicContact CB-CE2 4.36Å; K27-Y36 HydrophobicContact CB-CG 3.88Å; K27-Y36 HydrophobicContact CD-CD2 3.91Å; K27-Y36 HydrophobicContact CD-CE1 4.43Å; K27-Y36 HydrophobicContact CD-CE2 3.81Å; K27-Y36 HydrophobicContact CD-CG 4.27Å; K27-Y36 HydrophobicContact CG-CD2 4.29Å; K27-Y36 HydrophobicContact CG-CG 4.39Å; A32-Y36 PolarHBondContact O-N 3.49Å; I33-Y36 HydrophobicContact CD1-CD1 3.77Å; I33-Y36 HydrophobicContact CD1-CE1 4.42Å; I33-Y36 HydrophobicContact CD1-CG 4.45Å; Y36-A38 PolarHBondContact O-N 2.93Å; Y36-Y39 PolarHBondContact O-N 2.94Å; Y36-R40 HydrophobicContact CD2-CG 4.21Å; Y36-R40 HydrophobicContact CE1-CG 4.27Å; Y36-R40 HydrophobicContact CE2-CG 3.76Å; Y36-R40 WeakPolarHBondContact O-CG 3.49Å; Y36-R40 PolarHBondContact O-N 3.26Å
37	N	93.3	Very high	93.9	Very high	40 Å²	40	51.2 Å²	51.2	21%	0.214	26%	0.255	C	S	.	.	H	α-helix	trans	-61.2	-41.1	178.5	-85.7	-42.2	0	0	0	113.7	I33 H34 K35 K41 K283	I33-N37 WeakPolarHBondContact O-CB 3.43Å; I33-N37 PolarHBondContact O-N 2.93Å; I33-N37 PolarHBondContact O-ND2 3.47Å; H34-N37 WeakPolarHBondContact O-CB 3.33Å; K35-N37 PolarHBondContact O-N 3.14Å; N37-K41 WeakPolarHBondContact O-CB 3.33Å; N37-K41 PolarHBondContact O-N 3.43Å; N37-K283 PolarHBondContact ND2-NZ 2.9Å; N37-K283 PolarHBondContact OD1-NZ 3.28Å
38	A	95.1	Very high	93.7	Very high	47 Å²	47	51.9 Å²	51.9	39%	0.388	26%	0.258	S	S	.	.	H	α-helix	trans	-65	-45.5	177.6	0	0	0	0	0	111.6	H34 K35 Y36 K41 A42	H34-A38 PolarHBondContact O-N 3Å; K35-A38 PolarHBondContact O-N 3.25Å; K35-A38 VanDerWaalsContact O-N 3.13Å; Y36-A38 PolarHBondContact O-N 2.93Å; A38-K41 PolarHBondContact O-N 2.85Å; A38-A42 PolarHBondContact O-N 3.33Å
39	Y	97.6	Very high	93.9	Very high	21 Å²	21	53.6 Å²	53.6	8%	0.082	26%	0.264	C	S	.	.	H	α-helix	trans	-65	-41.5	176.6	-75.6	-61.3	0	0	0	112.5	L19 L22 E26 K35 Y36 K41 A42 A43 I69 K72	L19-Y39 HydrophobicContact CD2-CD1 3.7Å; L19-Y39 HydrophobicContact CD2-CE1 4.12Å; L22-Y39 HydrophobicContact CB-CD1 4.21Å; L22-Y39 HydrophobicContact CB-CD2 4.11Å; L22-Y39 HydrophobicContact CB-CE1 4.15Å; L22-Y39 HydrophobicContact CB-CE2 4.06Å; L22-Y39 HydrophobicContact CB-CG 4.2Å; L22-Y39 HydrophobicContact CD1-CD1 4.36Å; L22-Y39 HydrophobicContact CD1-CE1 3.74Å; E26-Y39 HydrophobicContact CG-CD2 4.06Å; E26-Y39 HydrophobicContact CG-CE2 3.77Å; K35-Y39 VanDerWaalsContact O-CD2 3.28Å; K35-Y39 WeakPolarHBondContact O-CD2 3.44Å; K35-Y39 PolarHBondContact O-N 3.2Å; Y36-Y39 PolarHBondContact O-N 2.94Å; Y39-K41 PolarHBondContact O-N 3.38Å; Y39-A42 PolarHBondContact O-N 2.94Å; Y39-A43 WeakPolarHBondContact O-CB 3.4Å; Y39-A43 PolarHBondContact O-N 3.26Å; Y39-I69 HydrophobicContact CD1-CD1 4.09Å; Y39-I69 HydrophobicContact CD1-CG1 4.29Å; Y39-I69 HydrophobicContact CE1-CD1 4.28Å; Y39-I69 HydrophobicContact CE1-CG1 3.99Å; Y39-K72 HydrophobicContact CE1-CD 4.49Å; Y39-K72 WeakPolarHBondContact OH-CE 3.45Å
40	R	96.6	Very high	94	Very high	63 Å²	63	57.5 Å²	57.5	24%	0.238	29%	0.289	C	S	.	.	H	α-helix	trans	-61	-42.9	174.2	-76.3	-80.5	-72	166.1	3.4	112.1	A23 Y36 A43 S44 D279 I280	A23-R40 HydrophobicContact CB-CG 3.97Å; Y36-R40 HydrophobicContact CD2-CG 4.21Å; Y36-R40 HydrophobicContact CE1-CG 4.27Å; Y36-R40 HydrophobicContact CE2-CG 3.76Å; Y36-R40 WeakPolarHBondContact O-CG 3.49Å; Y36-R40 PolarHBondContact O-N 3.26Å; R40-A43 PolarHBondContact O-N 3.02Å; R40-S44 WeakPolarHBondContact O-CB 3.45Å; R40-S44 PolarHBondContact O-N 3.42Å; R40-D279 IonicContact CZ-OD2 3.08Å; R40-D279 IonicContact NH2-OD1 3.28Å; R40-D279 PolarHBondContact NH2-OD1 3.44Å; R40-D279 IonicContact NH2-OD2 3.9Å; R40-D279 PolarHBondContact NH2-OD2 3.08Å; R40-I280 HydrophobicContact CB-CD1 4.21Å
41	K	94.2	Very high	94.1	Very high	58 Å²	58	58.2 Å²	58.2	25%	0.252	29%	0.293	S	S	.	.	H	α-helix	trans	-61.4	-45.4	175.7	-174.9	179.1	-179.7	-173.2	0	111.4	N37 A38 Y39 S44 T45 D63	N37-K41 WeakPolarHBondContact O-CB 3.33Å; N37-K41 PolarHBondContact O-N 3.43Å; A38-K41 PolarHBondContact O-N 2.85Å; Y39-K41 PolarHBondContact O-N 3.38Å; K41-S44 PolarHBondContact O-N 2.9Å; K41-T45 WeakPolarHBondContact O-CB 3.29Å; K41-T45 PolarHBondContact O-N 3.31Å; K41-T45 PolarHBondContact O-OG1 3.32Å; K41-D63 WeakPolarHBondContact CE-OD2 3.43Å; K41-D63 IonicContact NZ-OD1 2.76Å; K41-D63 PolarHBondContact NZ-OD1 3.24Å; K41-D63 IonicContact NZ-OD2 3.1Å; K41-D63 PolarHBondContact NZ-OD2 2.76Å
42	A	96.6	Very high	94.4	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-61.6	-46.8	176.4	0	0	0	0	0	111.7	L19 A38 Y39 T45 I46 V65 I69	L19-A42 HydrophobicContact CD1-CB 4.28Å; A38-A42 PolarHBondContact O-N 3.33Å; Y39-A42 PolarHBondContact O-N 2.94Å; A42-T45 PolarHBondContact O-N 3.38Å; A42-I46 WeakPolarHBondContact O-CB 3.28Å; A42-I46 WeakPolarHBondContact O-CG1 3.29Å; A42-I46 PolarHBondContact O-N 2.92Å; A42-V65 HydrophobicContact CB-CG2 4.15Å; A42-I69 HydrophobicContact CB-CD1 3.67Å; A42-I69 HydrophobicContact CB-CG2 4.42Å
43	A	96.4	Very high	94.5	Very high	6 Å²	6	56.3 Å²	56.3	5%	0.05	29%	0.285	C	S	.	.	H	α-helix	trans	-60.2	-47.3	177.9	0	0	0	0	0	112.1	T16 L19 V20 Y39 R40 T45 I46 A47	T16-A43 WeakPolarHBondContact CG2-O 3.31Å; L19-A43 HydrophobicContact CB-CB 3.98Å; L19-A43 HydrophobicContact CD1-CB 4.41Å; V20-A43 HydrophobicContact CG2-CB 4.09Å; Y39-A43 WeakPolarHBondContact O-CB 3.4Å; Y39-A43 PolarHBondContact O-N 3.26Å; R40-A43 PolarHBondContact O-N 3.02Å; A43-T45 VanDerWaalsContact C-N 3.31Å; A43-T45 PolarHBondContact O-N 2.77Å; A43-I46 PolarHBondContact O-N 3.48Å; A43-A47 VanDerWaalsContact O-CB 3.31Å; A43-A47 WeakPolarHBondContact O-CB 3.18Å; A43-A47 PolarHBondContact O-N 2.9Å
44	S	93.8	Very high	94.8	Very high	5 Å²	5	60.7 Å²	60.7	4%	0.035	30%	0.301	C	S	.	.	H	α-helix	trans	-55.8	-45.1	174.8	149.4	0	0	0	0	112.2	R40 K41 K48 E338	R40-S44 WeakPolarHBondContact O-CB 3.45Å; R40-S44 PolarHBondContact O-N 3.42Å; K41-S44 PolarHBondContact O-N 2.9Å; S44-K48 PolarHBondContact O-N 3.12Å; S44-E338 WeakPolarHBondContact CB-OXT 3.04Å; S44-E338 PolarHBondContact OG-OXT 3.14Å; S44-E338 VanDerWaalsContact OG-OXT 3.1Å
45	T	93.6	Very high	95	Very high	35 Å²	35	55.1 Å²	55.1	22%	0.215	28%	0.279	C	S	.	.	H	α-helix	trans	-68.8	-41.4	-177.3	-53.8	0	0	0	0	111.2	K41 A42 A43 K48 Y49 L62 D63	K41-T45 WeakPolarHBondContact O-CB 3.29Å; K41-T45 PolarHBondContact O-N 3.31Å; K41-T45 PolarHBondContact O-OG1 3.32Å; A42-T45 PolarHBondContact O-N 3.38Å; A43-T45 VanDerWaalsContact C-N 3.31Å; A43-T45 PolarHBondContact O-N 2.77Å; T45-K48 PolarHBondContact O-N 3.2Å; T45-Y49 PolarHBondContact O-N 2.69Å; T45-L62 HydrophobicContact CG2-CB 3.83Å; T45-D63 WeakPolarHBondContact CG2-O 3.27Å; T45-D63 PolarHBondContact OG1-O 3.24Å
46	I	95.4	Very high	95.2	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-69.4	-37.3	177.7	-70.2	168.8	0	0	0	111.7	N12 I15 T16 L19 A42 A43 K48 Y49 I53 L62 V65 I73	N12-I46 HydrophobicContact CB-CG2 3.52Å; I15-I46 HydrophobicContact CB-CG2 4.42Å; I15-I46 HydrophobicContact CG2-CD1 3.88Å; I15-I46 HydrophobicContact CG2-CG2 4.05Å; T16-I46 HydrophobicContact CG2-CB 4.18Å; T16-I46 HydrophobicContact CG2-CG2 3.81Å; L19-I46 HydrophobicContact CD1-CD1 3.67Å; A42-I46 WeakPolarHBondContact O-CB 3.28Å; A42-I46 WeakPolarHBondContact O-CG1 3.29Å; A42-I46 PolarHBondContact O-N 2.92Å; A43-I46 PolarHBondContact O-N 3.48Å; I46-K48 PolarHBondContact O-N 3.04Å; I46-Y49 VanDerWaalsContact O-CB 3.3Å; I46-Y49 WeakPolarHBondContact O-CB 3.48Å; I46-Y49 PolarHBondContact O-N 2.86Å; I46-I53 HydrophobicContact CB-CD1 4.3Å; I46-I53 HydrophobicContact CD1-CD1 4.31Å; I46-I53 HydrophobicContact CG1-CD1 3.88Å; I46-I53 HydrophobicContact CG2-CD1 3.64Å; I46-L62 HydrophobicContact CG1-CD1 3.97Å; I46-V65 HydrophobicContact CD1-CG2 4.04Å; I46-V65 HydrophobicContact CG1-CG2 4.25Å; I46-I73 HydrophobicContact CD1-CD1 3.82Å
47	A	93.1	Very high	95.3	Very high	48 Å²	48	53.6 Å²	53.6	40%	0.397	28%	0.275	S	S	.	.	H	α-helix	trans	-59.6	-32.9	178	0	0	0	0	0	112.7	T16 A43	T16-A47 HydrophobicContact CG2-CB 3.99Å; A43-A47 VanDerWaalsContact O-CB 3.31Å; A43-A47 WeakPolarHBondContact O-CB 3.18Å; A43-A47 PolarHBondContact O-N 2.9Å
48	K	90	Very high	95.5	Very high	93 Å²	93	53.6 Å²	53.6	40%	0.404	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-7.2	177.9	-63.4	174.5	-167.1	151.2	0	113.8	S44 T45 I46 E338	S44-K48 PolarHBondContact O-N 3.12Å; T45-K48 PolarHBondContact O-N 3.2Å; I46-K48 PolarHBondContact O-N 3.04Å; K48-E338 VanDerWaalsContact NZ-CA 3.26Å; K48-E338 IonicContact NZ-OE1 2.84Å; K48-E338 PolarHBondContact NZ-OE1 3.37Å; K48-E338 IonicContact NZ-OE2 3.63Å
49	Y	93.6	Very high	95.6	Very high	52 Å²	52	51.4 Å²	51.4	20%	0.204	26%	0.255	C	S	.	.			trans	-67.9	123.3	-177.7	-172.6	-116.9	0	0	0	109.2	T45 I46 N51 I53 E58 L62	T45-Y49 PolarHBondContact O-N 2.69Å; I46-Y49 VanDerWaalsContact O-CB 3.3Å; I46-Y49 WeakPolarHBondContact O-CB 3.48Å; I46-Y49 PolarHBondContact O-N 2.86Å; Y49-N51 HydrophobicContact CD1-CB 4.28Å; Y49-N51 WeakPolarHBondContact CD1-O 3.24Å; Y49-N51 HydrophobicContact CE1-CB 3.69Å; Y49-N51 PolarHBondContact O-N 3.1Å; Y49-N51 VanDerWaalsContact O-N 3.12Å; Y49-I53 HydrophobicContact CD1-CD1 4.23Å; Y49-I53 HydrophobicContact CD1-CG1 3.63Å; Y49-I53 HydrophobicContact CE1-CG1 3.94Å; Y49-E58 WeakPolarHBondContact CE1-OE1 3.43Å; Y49-E58 PolarHBondContact OH-OE1 2.9Å; Y49-L62 HydrophobicContact CD2-CD1 4.1Å; Y49-L62 HydrophobicContact CD2-CD2 3.58Å; Y49-L62 HydrophobicContact CD2-CG 4.48Å; Y49-L62 HydrophobicContact CE2-CD2 3.81Å; Y49-L62 HydrophobicContact CG-CD1 4.06Å; Y49-L62 HydrophobicContact CG-CD2 4.37Å
50	P	92.9	Very high	95.6	Very high	95 Å²	95	54.5 Å²	54.5	62%	0.617	27%	0.269	S	S	*	.	S	Bend	trans	-76.1	-1.9	-167	30.7	-37.5	0	0	0	114.1	L11	L11-P50 VanDerWaalsContact CD1-C 3.47Å; L11-P50 WeakPolarHBondContact CD1-O 3.44Å
51	N	94.4	Very high	95.6	Very high	89 Å²	89	59.9 Å²	59.9	48%	0.476	29%	0.294	S	S	.	.	S	Bend	trans	-123.7	157.3	-178.9	-55.7	-54.3	0	0	0	110.6	N12 Y49 I53	N12-N51 PolarHBondContact ND2-O 3.05Å; Y49-N51 HydrophobicContact CD1-CB 4.28Å; Y49-N51 WeakPolarHBondContact CD1-O 3.24Å; Y49-N51 HydrophobicContact CE1-CB 3.69Å; Y49-N51 PolarHBondContact O-N 3.1Å; Y49-N51 VanDerWaalsContact O-N 3.12Å; N51-I53 PolarHBondContact O-N 3.47Å
52	K	96.3	Very high	95.6	Very high	144 Å²	144	58.5 Å²	58.5	63%	0.626	29%	0.29	S	S	*	.			trans	-72.3	120.3	168.2	-173	172.3	-172.8	172.9	0	109.4	N12	N12-K52 WeakPolarHBondContact OD1-CA 3.44Å
53	I	97.3	Very high	95.4	Very high	3 Å²	3	63.7 Å²	63.7	2%	0.015	32%	0.317	C	S	.	.			trans	-66.6	134	178.5	-66.3	176.4	0	0	0	109.6	N12 I15 I46 Y49 N51 S55 A59 L62 I73 L77	N12-I53 PolarHBondContact OD1-N 3.04Å; I15-I53 HydrophobicContact CD1-CB 4Å; I15-I53 HydrophobicContact CD1-CD1 4.41Å; I15-I53 HydrophobicContact CD1-CG2 4.22Å; I46-I53 HydrophobicContact CB-CD1 4.3Å; I46-I53 HydrophobicContact CD1-CD1 4.31Å; I46-I53 HydrophobicContact CG1-CD1 3.88Å; I46-I53 HydrophobicContact CG2-CD1 3.64Å; Y49-I53 HydrophobicContact CD1-CD1 4.23Å; Y49-I53 HydrophobicContact CD1-CG1 3.63Å; Y49-I53 HydrophobicContact CE1-CG1 3.94Å; N51-I53 PolarHBondContact O-N 3.47Å; I53-S55 VanDerWaalsContact CG2-O 3.32Å; I53-S55 WeakPolarHBondContact CG2-O 3.37Å; I53-A59 HydrophobicContact CD1-CB 4.08Å; I53-A59 HydrophobicContact CG2-CB 3.99Å; I53-L62 HydrophobicContact CD1-CD1 4.24Å; I53-I73 HydrophobicContact CG2-CG2 4.1Å; I53-L77 HydrophobicContact CG2-CD1 4.49Å
54	K	97.4	Very high	95.2	Very high	176 Å²	176	64.7 Å²	64.7	77%	0.765	33%	0.328	S	S	*	.			trans	-111.6	-14.8	-176.9	-57.6	-179.3	-175.6	175.3	0	113.7	E58	K54-E58 WeakPolarHBondContact CB-OE2 3.46Å; K54-E58 PolarHBondContact N-OE2 2.99Å
55	S	98.1	Very high	95.4	Very high	39 Å²	39	64.8 Å²	64.8	27%	0.273	33%	0.328	S	S	.	.			trans	-156.7	161.6	175.2	67.1	0	0	0	0	112.7	I53 E57 E58 A59	I53-S55 VanDerWaalsContact CG2-O 3.32Å; I53-S55 WeakPolarHBondContact CG2-O 3.37Å; S55-E57 VanDerWaalsContact C-N 3.29Å; S55-E57 PolarHBondContact O-N 3.44Å; S55-E58 WeakPolarHBondContact O-CB 3.38Å; S55-E58 PolarHBondContact O-N 3.32Å; S55-E58 PolarHBondContact OG-N 3.48Å; S55-E58 VanDerWaalsContact OG-N 3.12Å; S55-A59 PolarHBondContact O-N 2.67Å; S55-A59 VanDerWaalsContact O-N 3.1Å
56	G	97.4	Very high	95.5	Very high	0 Å²	0	65 Å²	65	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-60.1	-38.2	170.1	0	0	0	0	0	112.1	E58 A59 K60 A70 D74	G56-E58 VanDerWaalsContact C-N 3.34Å; G56-E58 PolarHBondContact O-N 3.14Å; G56-A59 PolarHBondContact O-N 2.69Å; G56-K60 VanDerWaalsContact O-CB 3.28Å; G56-K60 WeakPolarHBondContact O-CB 3.3Å; G56-K60 PolarHBondContact O-N 2.83Å; G56-A70 WeakPolarHBondContact CA-O 3.31Å; G56-A70 VanDerWaalsContact O-CB 3.3Å; G56-A70 WeakPolarHBondContact O-CB 3.44Å; G56-D74 WeakPolarHBondContact CA-OD2 3.32Å; G56-D74 VanDerWaalsContact N-CG 3.33Å; G56-D74 PolarHBondContact N-OD1 3.5Å; G56-D74 PolarHBondContact N-OD2 2.81Å
57	E	97.7	Very high	95.6	Very high	112 Å²	112	67.3 Å²	67.3	52%	0.523	36%	0.356	S	S	.	.	H	α-helix	trans	-66.4	-31.9	176.4	-78.4	-63.9	130	0	0	113.2	S55 K60	S55-E57 VanDerWaalsContact C-N 3.29Å; S55-E57 PolarHBondContact O-N 3.44Å; E57-K60 WeakPolarHBondContact OE1-CD 3.48Å; E57-K60 IonicContact OE1-NZ 3.3Å; E57-K60 PolarHBondContact OE1-NZ 3.02Å
58	E	97.5	Very high	95.8	Very high	40 Å²	40	72.4 Å²	72.4	19%	0.187	37%	0.37	C	S	.	.	H	α-helix	trans	-65.4	-49.9	168.4	-179.9	-177.7	178.9	0	0	110.7	Y49 K54 S55 G56 K60 K61	Y49-E58 WeakPolarHBondContact CE1-OE1 3.43Å; Y49-E58 PolarHBondContact OH-OE1 2.9Å; K54-E58 WeakPolarHBondContact CB-OE2 3.46Å; K54-E58 PolarHBondContact N-OE2 2.99Å; S55-E58 WeakPolarHBondContact O-CB 3.38Å; S55-E58 PolarHBondContact O-N 3.32Å; S55-E58 PolarHBondContact OG-N 3.48Å; S55-E58 VanDerWaalsContact OG-N 3.12Å; G56-E58 VanDerWaalsContact C-N 3.34Å; G56-E58 PolarHBondContact O-N 3.14Å; E58-K60 VanDerWaalsContact C-N 3.3Å; E58-K60 PolarHBondContact O-N 3.22Å; E58-K61 WeakPolarHBondContact O-CB 3.22Å; E58-K61 PolarHBondContact O-N 3.45Å
59	A	97.1	Very high	96.1	Very high	0 Å²	0	68.7 Å²	68.7	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-62	-36.3	-178.9	0	0	0	0	0	112.9	I53 S55 G56 K61 L62 V65 I73	I53-A59 HydrophobicContact CD1-CB 4.08Å; I53-A59 HydrophobicContact CG2-CB 3.99Å; S55-A59 PolarHBondContact O-N 2.67Å; S55-A59 VanDerWaalsContact O-N 3.1Å; G56-A59 PolarHBondContact O-N 2.69Å; A59-K61 PolarHBondContact O-N 3.03Å; A59-K61 VanDerWaalsContact O-N 3.14Å; A59-L62 WeakPolarHBondContact O-CB 3.33Å; A59-L62 VanDerWaalsContact O-CG 3.29Å; A59-L62 WeakPolarHBondContact O-CG 3.33Å; A59-L62 PolarHBondContact O-N 3.1Å; A59-V65 HydrophobicContact CB-CG1 4.05Å; A59-V65 VanDerWaalsContact O-CB 3.24Å; A59-V65 WeakPolarHBondContact O-CB 3.3Å; A59-V65 WeakPolarHBondContact O-CG1 3.29Å; A59-I73 HydrophobicContact CB-CD1 3.44Å; A59-I73 VanDerWaalsContact CB-CD1 3.44Å
60	K	97.4	Very high	96.3	Very high	86 Å²	86	66.4 Å²	66.4	37%	0.374	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-17.8	-179	-167.5	-180	176.4	-172.3	0	114.1	G56 E57 E58 L62 A70	G56-K60 VanDerWaalsContact O-CB 3.28Å; G56-K60 WeakPolarHBondContact O-CB 3.3Å; G56-K60 PolarHBondContact O-N 2.83Å; E57-K60 WeakPolarHBondContact OE1-CD 3.48Å; E57-K60 IonicContact OE1-NZ 3.3Å; E57-K60 PolarHBondContact OE1-NZ 3.02Å; E58-K60 VanDerWaalsContact C-N 3.3Å; E58-K60 PolarHBondContact O-N 3.22Å; K60-L62 PolarHBondContact O-N 2.86Å; K60-A70 HydrophobicContact CB-CB 4.04Å; K60-A70 HydrophobicContact CD-CB 4.31Å; K60-A70 HydrophobicContact CG-CB 4.39Å
61	K	96.8	Very high	96.6	Very high	177 Å²	177	67.7 Å²	67.7	77%	0.77	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-15.5	173.1	-62.4	173.9	-175.9	176.5	0	112.4	E58 A59	E58-K61 WeakPolarHBondContact O-CB 3.22Å; E58-K61 PolarHBondContact O-N 3.45Å; A59-K61 PolarHBondContact O-N 3.03Å; A59-K61 VanDerWaalsContact O-N 3.14Å
62	L	95.6	Very high	96.7	Very high	29 Å²	29	64.9 Å²	64.9	15%	0.152	33%	0.327	C	S	.	.	S	Bend	trans	-83.1	139.1	179	-53.4	177.3	0	0	0	110.3	T45 I46 Y49 I53 A59 K60 G64 V65	T45-L62 HydrophobicContact CG2-CB 3.83Å; I46-L62 HydrophobicContact CG1-CD1 3.97Å; Y49-L62 HydrophobicContact CD2-CD1 4.1Å; Y49-L62 HydrophobicContact CD2-CD2 3.58Å; Y49-L62 HydrophobicContact CD2-CG 4.48Å; Y49-L62 HydrophobicContact CE2-CD2 3.81Å; Y49-L62 HydrophobicContact CG-CD1 4.06Å; Y49-L62 HydrophobicContact CG-CD2 4.37Å; I53-L62 HydrophobicContact CD1-CD1 4.24Å; A59-L62 WeakPolarHBondContact O-CB 3.33Å; A59-L62 VanDerWaalsContact O-CG 3.29Å; A59-L62 WeakPolarHBondContact O-CG 3.33Å; A59-L62 PolarHBondContact O-N 3.1Å; K60-L62 PolarHBondContact O-N 2.86Å; L62-G64 PolarHBondContact O-N 3.47Å; L62-V65 HydrophobicContact CB-CG2 4.01Å; L62-V65 PolarHBondContact O-N 3.04Å; L62-V65 VanDerWaalsContact O-N 3.12Å
63	D	92.6	Very high	96.8	Very high	109 Å²	109	58 Å²	58	58%	0.583	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	135.9	176.2	178.2	33.5	0	0	0	111.1	K41 T45 V65	K41-D63 WeakPolarHBondContact CE-OD2 3.43Å; K41-D63 IonicContact NZ-OD1 2.76Å; K41-D63 PolarHBondContact NZ-OD1 3.24Å; K41-D63 IonicContact NZ-OD2 3.1Å; K41-D63 PolarHBondContact NZ-OD2 2.76Å; T45-D63 WeakPolarHBondContact CG2-O 3.27Å; T45-D63 PolarHBondContact OG1-O 3.24Å; D63-V65 VanDerWaalsContact C-N 3.32Å; D63-V65 PolarHBondContact O-N 2.64Å
64	G	92.2	Very high	96.8	Very high	26 Å²	26	60.3 Å²	60.3	27%	0.268	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.1	-5.4	-176	0	0	0	0	0	115.7	L62	L62-G64 PolarHBondContact O-N 3.47Å
65	V	96.8	Very high	96.9	Very high	7 Å²	7	53.7 Å²	53.7	4%	0.042	28%	0.281	C	S	.	.			trans	-99.6	98.3	176.1	-174.2	0	0	0	0	110.9	A42 I46 A59 L62 D63 I69 I73	A42-V65 HydrophobicContact CB-CG2 4.15Å; I46-V65 HydrophobicContact CD1-CG2 4.04Å; I46-V65 HydrophobicContact CG1-CG2 4.25Å; A59-V65 HydrophobicContact CB-CG1 4.05Å; A59-V65 VanDerWaalsContact O-CB 3.24Å; A59-V65 WeakPolarHBondContact O-CB 3.3Å; A59-V65 WeakPolarHBondContact O-CG1 3.29Å; L62-V65 HydrophobicContact CB-CG2 4.01Å; L62-V65 PolarHBondContact O-N 3.04Å; L62-V65 VanDerWaalsContact O-N 3.12Å; D63-V65 VanDerWaalsContact C-N 3.32Å; D63-V65 PolarHBondContact O-N 2.64Å; V65-I69 HydrophobicContact CG1-CB 4.09Å; V65-I69 HydrophobicContact CG1-CG2 3.84Å; V65-I73 HydrophobicContact CG1-CD1 4.35Å
66	G	95.7	Very high	96.8	Very high	39 Å²	39	53.9 Å²	53.9	40%	0.402	28%	0.278	S	S	.	.			trans	-86.2	173.4	175.5	0	0	0	0	0	114.1	K68 I69 A70	G66-K68 VanDerWaalsContact C-N 3.31Å; G66-K68 PolarHBondContact O-N 2.69Å; G66-I69 PolarHBondContact O-N 3.3Å; G66-A70 PolarHBondContact O-N 2.83Å
67	A	97.3	Very high	96.8	Very high	49 Å²	49	57.1 Å²	57.1	41%	0.405	29%	0.294	S	S	.	.	H	α-helix	trans	-51.1	-44.8	-178.8	0	0	0	0	0	113.8	I69 A70 E71	A67-I69 VanDerWaalsContact C-N 3.26Å; A67-I69 PolarHBondContact O-N 3.25Å; A67-A70 WeakPolarHBondContact O-CB 3.48Å; A67-A70 PolarHBondContact O-N 3.49Å; A67-E71 WeakPolarHBondContact O-CG 3.4Å; A67-E71 PolarHBondContact O-N 2.94Å
68	K	96.8	Very high	96.7	Very high	156 Å²	156	59.4 Å²	59.4	68%	0.678	31%	0.305	S	S	*	.	H	α-helix	trans	-66.3	-23.7	178.9	-68.8	-175.9	179.5	177.9	0	114.3	G66 K72	G66-K68 VanDerWaalsContact C-N 3.31Å; G66-K68 PolarHBondContact O-N 2.69Å; K68-K72 WeakPolarHBondContact O-CD 3.49Å; K68-K72 WeakPolarHBondContact O-CG 3.45Å; K68-K72 PolarHBondContact O-NZ 3.48Å
69	I	97.5	Very high	96.6	Very high	15 Å²	15	61.5 Å²	61.5	8%	0.077	32%	0.321	C	S	.	.	H	α-helix	trans	-83.5	-44.3	175.4	-64.8	-178.9	0	0	0	108.5	L19 Y39 A42 V65 G66 A67 E71 K72 I73	L19-I69 HydrophobicContact CD2-CG2 3.74Å; Y39-I69 HydrophobicContact CD1-CD1 4.09Å; Y39-I69 HydrophobicContact CD1-CG1 4.29Å; Y39-I69 HydrophobicContact CE1-CD1 4.28Å; Y39-I69 HydrophobicContact CE1-CG1 3.99Å; A42-I69 HydrophobicContact CB-CD1 3.67Å; A42-I69 HydrophobicContact CB-CG2 4.42Å; V65-I69 HydrophobicContact CG1-CB 4.09Å; V65-I69 HydrophobicContact CG1-CG2 3.84Å; G66-I69 PolarHBondContact O-N 3.3Å; A67-I69 VanDerWaalsContact C-N 3.26Å; A67-I69 PolarHBondContact O-N 3.25Å; I69-E71 VanDerWaalsContact C-N 3.33Å; I69-E71 PolarHBondContact O-N 3.16Å; I69-K72 WeakPolarHBondContact O-CB 3.04Å; I69-K72 PolarHBondContact O-N 3.1Å; I69-I73 HydrophobicContact CG2-CD1 3.99Å; I69-I73 HydrophobicContact CG2-CG1 4.42Å; I69-I73 WeakPolarHBondContact O-CG1 3.49Å; I69-I73 PolarHBondContact O-N 2.73Å
70	A	97.9	Very high	96.4	Very high	4 Å²	4	63.9 Å²	63.9	3%	0.033	35%	0.345	C	S	.	.	H	α-helix	trans	-52.7	-48.1	173.9	0	0	0	0	0	112.4	G56 K60 G66 A67 K72 I73 D74	G56-A70 WeakPolarHBondContact CA-O 3.31Å; G56-A70 VanDerWaalsContact O-CB 3.3Å; G56-A70 WeakPolarHBondContact O-CB 3.44Å; K60-A70 HydrophobicContact CB-CB 4.04Å; K60-A70 HydrophobicContact CD-CB 4.31Å; K60-A70 HydrophobicContact CG-CB 4.39Å; G66-A70 PolarHBondContact O-N 2.83Å; A67-A70 WeakPolarHBondContact O-CB 3.48Å; A67-A70 PolarHBondContact O-N 3.49Å; A70-K72 VanDerWaalsContact C-N 3.26Å; A70-K72 PolarHBondContact O-N 3.06Å; A70-I73 WeakPolarHBondContact O-CB 3.47Å; A70-I73 PolarHBondContact O-N 3.04Å; A70-D74 PolarHBondContact O-N 3.38Å
71	E	98	Very high	96.2	Very high	122 Å²	122	65.6 Å²	65.6	57%	0.57	35%	0.353	S	S	*	.	H	α-helix	trans	-56.6	-37.2	175.5	-72.8	164.7	-168.3	0	0	113.1	A67 I69 E75	A67-E71 WeakPolarHBondContact O-CG 3.4Å; A67-E71 PolarHBondContact O-N 2.94Å; I69-E71 VanDerWaalsContact C-N 3.33Å; I69-E71 PolarHBondContact O-N 3.16Å; E71-E75 PolarHBondContact O-N 3.09Å
72	K	97.9	Very high	96.1	Very high	30 Å²	30	57.4 Å²	57.4	13%	0.13	32%	0.317	C	S	.	.	H	α-helix	trans	-73.5	-34.9	177.9	-68.7	171.3	-178.3	54	0	111.9	F18 L22 Y39 K68 I69 A70 E75 F76 L82	F18-K72 HydrophobicContact CE2-CB 4.01Å; F18-K72 HydrophobicContact CZ-CB 4.2Å; L22-K72 HydrophobicContact CD1-CD 3.82Å; Y39-K72 HydrophobicContact CE1-CD 4.49Å; Y39-K72 WeakPolarHBondContact OH-CE 3.45Å; K68-K72 WeakPolarHBondContact O-CD 3.49Å; K68-K72 WeakPolarHBondContact O-CG 3.45Å; K68-K72 PolarHBondContact O-NZ 3.48Å; I69-K72 WeakPolarHBondContact O-CB 3.04Å; I69-K72 PolarHBondContact O-N 3.1Å; A70-K72 VanDerWaalsContact C-N 3.26Å; A70-K72 PolarHBondContact O-N 3.06Å; K72-E75 PolarHBondContact O-N 2.92Å; K72-F76 VanDerWaalsContact O-CB 3.31Å; K72-F76 WeakPolarHBondContact O-CB 3.09Å; K72-F76 PolarHBondContact O-N 3.32Å; K72-L82 HydrophobicContact CB-CD1 3.74Å; K72-L82 HydrophobicContact CB-CD2 4.31Å; K72-L82 HydrophobicContact CD-CD2 4.11Å; K72-L82 HydrophobicContact CG-CD1 3.92Å; K72-L82 HydrophobicContact CG-CD2 4.16Å
73	I	97.8	Very high	96	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-64.2	-44.5	174.1	-67.7	171.4	0	0	0	109.3	I15 F18 I46 I53 A59 V65 I69 A70 F76 L77	I15-I73 HydrophobicContact CD1-CG2 4Å; I15-I73 HydrophobicContact CG2-CD1 4.08Å; I15-I73 HydrophobicContact CG2-CG1 3.91Å; F18-I73 HydrophobicContact CE1-CG1 4.42Å; F18-I73 HydrophobicContact CZ-CG1 3.88Å; I46-I73 HydrophobicContact CD1-CD1 3.82Å; I53-I73 HydrophobicContact CG2-CG2 4.1Å; A59-I73 HydrophobicContact CB-CD1 3.44Å; A59-I73 VanDerWaalsContact CB-CD1 3.44Å; V65-I73 HydrophobicContact CG1-CD1 4.35Å; I69-I73 HydrophobicContact CG2-CD1 3.99Å; I69-I73 HydrophobicContact CG2-CG1 4.42Å; I69-I73 WeakPolarHBondContact O-CG1 3.49Å; I69-I73 PolarHBondContact O-N 2.73Å; A70-I73 WeakPolarHBondContact O-CB 3.47Å; A70-I73 PolarHBondContact O-N 3.04Å; I73-F76 PolarHBondContact O-N 3.5Å; I73-L77 HydrophobicContact CG2-CD1 3.74Å; I73-L77 HydrophobicContact CG2-CG 4.17Å; I73-L77 WeakPolarHBondContact O-CB 3.22Å; I73-L77 VanDerWaalsContact O-CG 3.26Å; I73-L77 WeakPolarHBondContact O-CG 3.14Å; I73-L77 PolarHBondContact O-N 2.93Å
74	D	98.2	Very high	95.9	Very high	50 Å²	50	63.6 Å²	63.6	27%	0.267	33%	0.332	S	S	.	.	H	α-helix	trans	-60.8	-46.1	175.2	-75.2	-42.6	0	0	0	112.1	G56 A70 F76 L77 Q78	G56-D74 WeakPolarHBondContact CA-OD2 3.32Å; G56-D74 VanDerWaalsContact N-CG 3.33Å; G56-D74 PolarHBondContact N-OD1 3.5Å; G56-D74 PolarHBondContact N-OD2 2.81Å; A70-D74 PolarHBondContact O-N 3.38Å; D74-F76 VanDerWaalsContact C-N 3.32Å; D74-F76 PolarHBondContact O-N 2.88Å; D74-L77 PolarHBondContact O-N 3Å; D74-Q78 WeakPolarHBondContact O-CB 3.49Å; D74-Q78 WeakPolarHBondContact O-CG 3.26Å; D74-Q78 PolarHBondContact O-N 3.32Å
75	E	97.9	Very high	95.8	Very high	37 Å²	37	62.6 Å²	62.6	17%	0.173	32%	0.321	C	S	.	.	H	α-helix	trans	-57.7	-45.3	174.8	-179.3	176	165.9	0	0	111.7	E71 K72 Q78 T79 L82 R83	E71-E75 PolarHBondContact O-N 3.09Å; K72-E75 PolarHBondContact O-N 2.92Å; E75-Q78 PolarHBondContact O-N 3.27Å; E75-T79 WeakPolarHBondContact O-CB 3.4Å; E75-T79 WeakPolarHBondContact O-CG2 3.46Å; E75-T79 PolarHBondContact O-N 3.44Å; E75-T79 PolarHBondContact O-OG1 3.15Å; E75-L82 HydrophobicContact CB-CD1 4Å; E75-L82 HydrophobicContact CG-CD1 3.97Å; E75-R83 VanDerWaalsContact OE1-CB 3.29Å; E75-R83 WeakPolarHBondContact OE1-CB 3.41Å; E75-R83 VanDerWaalsContact OE1-CG 3.27Å; E75-R83 WeakPolarHBondContact OE1-CG 3.27Å; E75-R83 IonicContact OE1-CZ 3.3Å; E75-R83 PolarHBondContact OE1-N 3.42Å; E75-R83 IonicContact OE1-NE 3.74Å; E75-R83 PolarHBondContact OE1-NE 3.01Å; E75-R83 IonicContact OE1-NH2 2.96Å; E75-R83 IonicContact OE2-NE 3.26Å; E75-R83 IonicContact OE2-NH2 3.9Å
76	F	97.3	Very high	95.6	Very high	44 Å²	44	65.2 Å²	65.2	19%	0.193	33%	0.333	C	S	.	.	H	α-helix	trans	-66.1	-43.1	179.7	-178.8	-100.2	0	0	0	112.3	G14 I15 F18 K72 I73 D74 Q78 G80 K81	G14-F76 WeakPolarHBondContact O-CZ 3.42Å; I15-F76 HydrophobicContact CG1-CD1 3.94Å; I15-F76 HydrophobicContact CG1-CE1 4.13Å; F18-F76 HydrophobicContact CD1-CB 4.17Å; F18-F76 HydrophobicContact CD1-CD1 4.08Å; F18-F76 AromaticContact CD1-CD2 3.84Å; F18-F76 HydrophobicContact CD1-CD2 3.84Å; F18-F76 HydrophobicContact CD1-CE1 4.46Å; F18-F76 HydrophobicContact CD1-CE2 4.24Å; F18-F76 AromaticContact CD1-CG 3.74Å; F18-F76 HydrophobicContact CD1-CG 3.74Å; F18-F76 HydrophobicContact CE1-CB 3.79Å; F18-F76 HydrophobicContact CE1-CD1 4.01Å; F18-F76 HydrophobicContact CE1-CD2 4.32Å; F18-F76 AromaticContact CE1-CG 3.77Å; F18-F76 HydrophobicContact CE1-CG 3.77Å; K72-F76 VanDerWaalsContact O-CB 3.31Å; K72-F76 WeakPolarHBondContact O-CB 3.09Å; K72-F76 PolarHBondContact O-N 3.32Å; I73-F76 PolarHBondContact O-N 3.5Å; D74-F76 VanDerWaalsContact C-N 3.32Å; D74-F76 PolarHBondContact O-N 2.88Å; F76-Q78 VanDerWaalsContact C-N 3.3Å; F76-Q78 PolarHBondContact O-N 2.85Å; F76-G80 WeakPolarHBondContact CE2-O 3.39Å; F76-G80 WeakPolarHBondContact O-CA 3.44Å; F76-G80 PolarHBondContact O-N 3.1Å; F76-K81 WeakPolarHBondContact CA-O 3.42Å
77	L	96.6	Very high	95.4	Very high	68 Å²	68	71.5 Å²	71.5	36%	0.356	35%	0.349	S	S	.	.	H	α-helix	trans	-66	-32.9	178.1	-71.9	174.2	0	0	0	112.3	I15 I53 I73 D74	I15-L77 HydrophobicContact CD1-CD2 4.38Å; I53-L77 HydrophobicContact CG2-CD1 4.49Å; I73-L77 HydrophobicContact CG2-CD1 3.74Å; I73-L77 HydrophobicContact CG2-CG 4.17Å; I73-L77 WeakPolarHBondContact O-CB 3.22Å; I73-L77 VanDerWaalsContact O-CG 3.26Å; I73-L77 WeakPolarHBondContact O-CG 3.14Å; I73-L77 PolarHBondContact O-N 2.93Å; D74-L77 PolarHBondContact O-N 3Å
78	Q	96.8	Very high	95	Very high	159 Å²	159	69.7 Å²	69.7	74%	0.743	33%	0.332	S	S	*	.	H	α-helix	trans	-77.9	-38	178.6	-71.8	171.4	15.1	0	0	113.1	D74 E75 F76	D74-Q78 WeakPolarHBondContact O-CB 3.49Å; D74-Q78 WeakPolarHBondContact O-CG 3.26Å; D74-Q78 PolarHBondContact O-N 3.32Å; E75-Q78 PolarHBondContact O-N 3.27Å; F76-Q78 VanDerWaalsContact C-N 3.3Å; F76-Q78 PolarHBondContact O-N 2.85Å
79	T	95.3	Very high	94.5	Very high	85 Å²	85	68 Å²	68	52%	0.521	32%	0.322	S	S	.	.	H	α-helix	trans	-114.8	-11.8	-167.6	69.1	0	0	0	0	114.2	E75 K81	E75-T79 WeakPolarHBondContact O-CB 3.4Å; E75-T79 WeakPolarHBondContact O-CG2 3.46Å; E75-T79 PolarHBondContact O-N 3.44Å; E75-T79 PolarHBondContact O-OG1 3.15Å; T79-K81 PolarHBondContact O-N 3.19Å; T79-K81 PolarHBondContact OG1-N 3.45Å; T79-K81 PolarHBondContact OG1-O 3.26Å
80	G	92.9	Very high	94	Very high	49 Å²	49	73.6 Å²	73.6	51%	0.505	35%	0.352	S	S	.	.	S	Bend	trans	70.6	2.5	-170.6	0	0	0	0	0	114.2	F76	F76-G80 WeakPolarHBondContact CE2-O 3.39Å; F76-G80 WeakPolarHBondContact O-CA 3.44Å; F76-G80 PolarHBondContact O-N 3.1Å
81	K	92.3	Very high	93.6	Very high	123 Å²	123	76.7 Å²	76.7	54%	0.535	37%	0.368	S	S	.	.	S	Bend	trans	-143.4	171.8	-174.4	-59.6	-172.7	-178.2	-173.4	0	111.1	F76 T79	F76-K81 WeakPolarHBondContact CA-O 3.42Å; T79-K81 PolarHBondContact O-N 3.19Å; T79-K81 PolarHBondContact OG1-N 3.45Å; T79-K81 PolarHBondContact OG1-O 3.26Å
82	L	94.8	Very high	93	Very high	4 Å²	4	76.2 Å²	76.2	2%	0.021	37%	0.369	C	S	.	.			trans	-128.5	117	172.9	-165.1	75.2	0	0	0	109.8	F18 L22 K72 E75 K84 L85 E86	F18-L82 HydrophobicContact CD2-CD2 4.18Å; F18-L82 HydrophobicContact CE2-CD2 4.42Å; L22-L82 HydrophobicContact CD1-CD2 3.83Å; L22-L82 HydrophobicContact CD2-CD2 4.49Å; L22-L82 HydrophobicContact CG-CD2 4.48Å; K72-L82 HydrophobicContact CB-CD1 3.74Å; K72-L82 HydrophobicContact CB-CD2 4.31Å; K72-L82 HydrophobicContact CD-CD2 4.11Å; K72-L82 HydrophobicContact CG-CD1 3.92Å; K72-L82 HydrophobicContact CG-CD2 4.16Å; E75-L82 HydrophobicContact CB-CD1 4Å; E75-L82 HydrophobicContact CG-CD1 3.97Å; L82-K84 HydrophobicContact CD2-CB 4.28Å; L82-K84 HydrophobicContact CG-CB 4.41Å; L82-K84 PolarHBondContact O-N 2.67Å; L82-K84 VanDerWaalsContact O-N 3.1Å; L82-L85 HydrophobicContact CB-CB 4.33Å; L82-L85 HydrophobicContact CB-CD1 4.35Å; L82-L85 HydrophobicContact CB-CG 4.42Å; L82-L85 HydrophobicContact CD2-CD1 4.33Å; L82-L85 HydrophobicContact CD2-CG 4.15Å; L82-L85 PolarHBondContact O-N 2.92Å; L82-E86 PolarHBondContact O-N 3.3Å
83	R	92.9	Very high	92.5	Very high	191 Å²	191	78.1 Å²	78.1	72%	0.721	38%	0.383	S	S	*	.	H	α-helix	trans	-55.6	-34.5	-177.7	-71.9	175.3	-67.3	175.5	-0.9	112.8	E75 E86 K87	E75-R83 VanDerWaalsContact OE1-CB 3.29Å; E75-R83 WeakPolarHBondContact OE1-CB 3.41Å; E75-R83 VanDerWaalsContact OE1-CG 3.27Å; E75-R83 WeakPolarHBondContact OE1-CG 3.27Å; E75-R83 IonicContact OE1-CZ 3.3Å; E75-R83 PolarHBondContact OE1-N 3.42Å; E75-R83 IonicContact OE1-NE 3.74Å; E75-R83 PolarHBondContact OE1-NE 3.01Å; E75-R83 IonicContact OE1-NH2 2.96Å; E75-R83 IonicContact OE2-NE 3.26Å; E75-R83 IonicContact OE2-NH2 3.9Å; R83-E86 PolarHBondContact O-N 3.41Å; R83-K87 PolarHBondContact O-N 2.79Å
84	K	91.4	Very high	92	Very high	78 Å²	78	78.3 Å²	78.3	34%	0.339	39%	0.385	S	S	.	.	H	α-helix	trans	-61.7	-43.7	175.1	-179.5	171.5	175.9	176.8	0	111.8	L22 E26 L82 K87 I88	L22-K84 HydrophobicContact CD2-CD 4.16Å; L22-K84 HydrophobicContact CD2-CG 4.4Å; E26-K84 IonicContact OE1-NZ 3.95Å; E26-K84 PolarHBondContact OE1-NZ 3.3Å; L82-K84 HydrophobicContact CD2-CB 4.28Å; L82-K84 HydrophobicContact CG-CB 4.41Å; L82-K84 PolarHBondContact O-N 2.67Å; L82-K84 VanDerWaalsContact O-N 3.1Å; K84-K87 PolarHBondContact O-N 3.1Å; K84-I88 HydrophobicContact CG-CD1 3.91Å; K84-I88 WeakPolarHBondContact O-CD1 3.4Å; K84-I88 VanDerWaalsContact O-CG1 3.25Å; K84-I88 WeakPolarHBondContact O-CG1 3.05Å; K84-I88 PolarHBondContact O-N 2.93Å; K84-I88 VanDerWaalsContact O-N 3.1Å
85	L	90.4	Very high	91.5	Very high	4 Å²	4	78.2 Å²	78.2	2%	0.021	39%	0.388	C	S	.	.	H	α-helix	trans	-71.2	-39.3	178.7	-77.2	176.7	0	0	0	111.7	F18 E21 L22 L82 K87 I88 R89	F18-L85 HydrophobicContact CB-CD1 3.64Å; E21-L85 HydrophobicContact CB-CD1 4.36Å; E21-L85 HydrophobicContact CB-CD2 4.2Å; E21-L85 HydrophobicContact CG-CD2 3.79Å; L22-L85 HydrophobicContact CD2-CD2 3.64Å; L22-L85 HydrophobicContact CD2-CG 4.02Å; L22-L85 HydrophobicContact CG-CD1 4.39Å; L22-L85 HydrophobicContact CG-CD2 3.9Å; L22-L85 HydrophobicContact CG-CG 4.16Å; L82-L85 HydrophobicContact CB-CB 4.33Å; L82-L85 HydrophobicContact CB-CD1 4.35Å; L82-L85 HydrophobicContact CB-CG 4.42Å; L82-L85 HydrophobicContact CD2-CD1 4.33Å; L82-L85 HydrophobicContact CD2-CG 4.15Å; L82-L85 PolarHBondContact O-N 2.92Å; L85-K87 VanDerWaalsContact C-N 3.26Å; L85-K87 PolarHBondContact O-N 3.47Å; L85-I88 HydrophobicContact CD2-CD1 4.16Å; L85-I88 WeakPolarHBondContact O-CB 3.39Å; L85-I88 PolarHBondContact O-N 3.1Å; L85-R89 VanDerWaalsContact O-CG 3.29Å; L85-R89 WeakPolarHBondContact O-CG 3.25Å; L85-R89 PolarHBondContact O-N 3.47Å
86	E	91.8	Very high	91.1	Very high	63 Å²	63	77 Å²	77	29%	0.294	38%	0.383	S	S	.	.	H	α-helix	trans	-57.2	-42.6	174.2	-63.2	-68	108.8	0	0	111.1	L82 R83 I88 R89 N90	L82-E86 PolarHBondContact O-N 3.3Å; R83-E86 PolarHBondContact O-N 3.41Å; E86-I88 PolarHBondContact O-N 3.17Å; E86-R89 PolarHBondContact O-N 3.13Å; E86-R89 IonicContact OE1-NH1 3.64Å; E86-R89 PolarHBondContact OE1-NH1 3.13Å; E86-N90 WeakPolarHBondContact O-CB 3.4Å; E86-N90 VanDerWaalsContact O-CG 3.27Å; E86-N90 PolarHBondContact O-N 3.39Å; E86-N90 VanDerWaalsContact O-N 3.14Å; E86-N90 PolarHBondContact O-ND2 3.02Å
87	K	91.2	Very high	90.8	Very high	170 Å²	170	75 Å²	75	74%	0.739	38%	0.375	S	S	*	.	H	α-helix	trans	-64.2	-38.7	174.2	-173.3	175.3	180	178	0	112.8	R83 K84 L85 D91	R83-K87 PolarHBondContact O-N 2.79Å; K84-K87 PolarHBondContact O-N 3.1Å; L85-K87 VanDerWaalsContact C-N 3.26Å; L85-K87 PolarHBondContact O-N 3.47Å; K87-D91 PolarHBondContact O-N 3.42Å
88	I	89.1	Confident	90.4	Very high	12 Å²	12	73.6 Å²	73.6	6%	0.062	37%	0.368	C	S	.	.	H	α-helix	trans	-67.4	-42.7	178.6	-71.6	162.7	0	0	0	111	L22 Y25 K84 L85 E86 N90 D91	L22-I88 HydrophobicContact CD2-CD1 4.3Å; Y25-I88 HydrophobicContact CD1-CD1 3.59Å; Y25-I88 HydrophobicContact CD1-CG1 4.37Å; Y25-I88 HydrophobicContact CD2-CB 4.28Å; Y25-I88 HydrophobicContact CD2-CD1 3.88Å; Y25-I88 HydrophobicContact CD2-CG1 3.93Å; Y25-I88 HydrophobicContact CD2-CG2 3.34Å; Y25-I88 HydrophobicContact CE1-CD1 3.68Å; Y25-I88 HydrophobicContact CE1-CG1 4.13Å; Y25-I88 HydrophobicContact CE2-CB 4.28Å; Y25-I88 HydrophobicContact CE2-CD1 3.97Å; Y25-I88 HydrophobicContact CE2-CG1 3.68Å; Y25-I88 HydrophobicContact CE2-CG2 3.66Å; Y25-I88 HydrophobicContact CG-CD1 3.68Å; Y25-I88 HydrophobicContact CG-CG1 4.26Å; Y25-I88 HydrophobicContact CG-CG2 4.05Å; K84-I88 HydrophobicContact CG-CD1 3.91Å; K84-I88 WeakPolarHBondContact O-CD1 3.4Å; K84-I88 VanDerWaalsContact O-CG1 3.25Å; K84-I88 WeakPolarHBondContact O-CG1 3.05Å; K84-I88 PolarHBondContact O-N 2.93Å; K84-I88 VanDerWaalsContact O-N 3.1Å; L85-I88 HydrophobicContact CD2-CD1 4.16Å; L85-I88 WeakPolarHBondContact O-CB 3.39Å; L85-I88 PolarHBondContact O-N 3.1Å; E86-I88 PolarHBondContact O-N 3.17Å; I88-N90 VanDerWaalsContact C-N 3.27Å; I88-N90 PolarHBondContact O-N 3.22Å; I88-D91 PolarHBondContact O-N 2.91Å; I88-D91 VanDerWaalsContact O-N 3.14Å
89	R	85.9	Confident	90	Very high	120 Å²	120	68.7 Å²	68.7	45%	0.453	34%	0.344	S	S	.	.	H	α-helix	trans	-64.4	-34	179.1	-69.7	167	-178	-178.5	-10.1	112	E21 L85 E86 D91 S95	E21-R89 IonicContact OE1-CZ 3.75Å; E21-R89 IonicContact OE1-NE 2.68Å; E21-R89 PolarHBondContact OE1-NE 3.47Å; E21-R89 IonicContact OE1-NH2 2.93Å; E21-R89 PolarHBondContact OE1-NH2 3.14Å; E21-R89 IonicContact OE2-CZ 3.47Å; E21-R89 IonicContact OE2-NE 3.3Å; E21-R89 IonicContact OE2-NH2 2.74Å; E21-R89 PolarHBondContact OE2-NH2 2.75Å; L85-R89 VanDerWaalsContact O-CG 3.29Å; L85-R89 WeakPolarHBondContact O-CG 3.25Å; L85-R89 PolarHBondContact O-N 3.47Å; E86-R89 PolarHBondContact O-N 3.13Å; E86-R89 IonicContact OE1-NH1 3.64Å; E86-R89 PolarHBondContact OE1-NH1 3.13Å; R89-D91 VanDerWaalsContact C-N 3.29Å; R89-D91 PolarHBondContact O-N 2.82Å; R89-S95 PolarHBondContact O-OG 2.76Å; R89-S95 VanDerWaalsContact O-OG 3.08Å
90	N	87.9	Confident	89.8	Confident	133 Å²	133	64.7 Å²	64.7	71%	0.711	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-0.1	176.4	-66.4	-22.1	0	0	0	114	E86 I88	E86-N90 WeakPolarHBondContact O-CB 3.4Å; E86-N90 VanDerWaalsContact O-CG 3.27Å; E86-N90 PolarHBondContact O-N 3.39Å; E86-N90 VanDerWaalsContact O-N 3.14Å; E86-N90 PolarHBondContact O-ND2 3.02Å; I88-N90 VanDerWaalsContact C-N 3.27Å; I88-N90 PolarHBondContact O-N 3.22Å
91	D	89.4	Confident	89.8	Confident	68 Å²	68	63.6 Å²	63.6	36%	0.364	30%	0.303	S	S	.	.			trans	-95.5	103.7	175.8	-178.7	75.2	0	0	0	110	K87 I88 R89 T93 S94 S95	K87-D91 PolarHBondContact O-N 3.42Å; I88-D91 PolarHBondContact O-N 2.91Å; I88-D91 VanDerWaalsContact O-N 3.14Å; R89-D91 VanDerWaalsContact C-N 3.29Å; R89-D91 PolarHBondContact O-N 2.82Å; D91-T93 PolarHBondContact O-N 2.96Å; D91-T93 VanDerWaalsContact O-N 3.14Å; D91-S94 PolarHBondContact O-N 3.3Å; D91-S94 WeakPolarHBondContact OD2-CB 3.29Å; D91-S94 PolarHBondContact OD2-N 3.42Å; D91-S94 PolarHBondContact OD2-OG 3.06Å; D91-S95 PolarHBondContact O-N 2.68Å; D91-S95 PolarHBondContact O-OG 3.08Å
92	D	86.2	Confident	89.8	Confident	112 Å²	112	63.6 Å²	63.6	60%	0.599	30%	0.299	S	S	*	.	H	α-helix	trans	-52.2	-39.2	-176.2	-71.8	-10	0	0	0	113	S96	D92-S96 VanDerWaalsContact O-CB 3.3Å; D92-S96 WeakPolarHBondContact O-CB 3.38Å; D92-S96 PolarHBondContact O-N 3.41Å; D92-S96 PolarHBondContact O-OG 3.37Å
93	T	86.8	Confident	89.8	Confident	70 Å²	70	63.4 Å²	63.4	43%	0.429	30%	0.299	S	S	.	.	H	α-helix	trans	-65.6	-48	178.6	-63.4	0	0	0	0	111.2	D91 S96 I97 V115	D91-T93 PolarHBondContact O-N 2.96Å; D91-T93 VanDerWaalsContact O-N 3.14Å; T93-S96 PolarHBondContact O-N 3.49Å; T93-I97 HydrophobicContact CG2-CD1 3.79Å; T93-I97 WeakPolarHBondContact O-CB 3.37Å; T93-I97 VanDerWaalsContact O-CG1 3.26Å; T93-I97 WeakPolarHBondContact O-CG1 3.16Å; T93-I97 PolarHBondContact O-N 2.74Å; T93-V115 HydrophobicContact CG2-CG1 4.21Å
94	S	87.1	Confident	89.8	Confident	4 Å²	4	56.2 Å²	56.2	3%	0.028	28%	0.276	C	S	.	.	H	α-helix	trans	-61.8	-44.3	177.1	-64.6	0	0	0	0	111.9	D91 I97 N98	D91-S94 PolarHBondContact O-N 3.3Å; D91-S94 WeakPolarHBondContact OD2-CB 3.29Å; D91-S94 PolarHBondContact OD2-N 3.42Å; D91-S94 PolarHBondContact OD2-OG 3.06Å; S94-I97 PolarHBondContact O-N 3.36Å; S94-N98 WeakPolarHBondContact O-CB 3.47Å; S94-N98 PolarHBondContact O-N 3.29Å; S94-N98 PolarHBondContact O-ND2 2.87Å
95	S	87.1	Confident	89.9	Confident	48 Å²	48	53.9 Å²	53.9	34%	0.336	27%	0.274	S	S	.	.	H	α-helix	trans	-61.6	-45.9	177.1	-69.1	0	0	0	0	111.4	R89 D91 N98 F99	R89-S95 PolarHBondContact O-OG 2.76Å; R89-S95 VanDerWaalsContact O-OG 3.08Å; D91-S95 PolarHBondContact O-N 2.68Å; D91-S95 PolarHBondContact O-OG 3.08Å; S95-N98 PolarHBondContact O-N 3.32Å; S95-F99 VanDerWaalsContact O-CB 3.24Å; S95-F99 WeakPolarHBondContact O-CB 3.49Å; S95-F99 PolarHBondContact O-N 3.34Å
96	S	89.7	Confident	90.1	Very high	11 Å²	11	54 Å²	54	8%	0.077	28%	0.275	C	S	.	.	H	α-helix	trans	-63.5	-44.7	177.2	-55.9	0	0	0	0	112	D92 T93 F99 L100	D92-S96 VanDerWaalsContact O-CB 3.3Å; D92-S96 WeakPolarHBondContact O-CB 3.38Å; D92-S96 PolarHBondContact O-N 3.41Å; D92-S96 PolarHBondContact O-OG 3.37Å; T93-S96 PolarHBondContact O-N 3.49Å; S96-F99 PolarHBondContact O-N 2.88Å; S96-L100 WeakPolarHBondContact O-CB 3.48Å; S96-L100 VanDerWaalsContact O-CG 3.25Å; S96-L100 WeakPolarHBondContact O-CG 3.44Å; S96-L100 PolarHBondContact O-N 2.96Å
97	I	90.5	Very high	90.2	Very high	3 Å²	3	52.6 Å²	52.6	2%	0.015	28%	0.277	C	S	.	.	H	α-helix	trans	-61.2	-50.6	177.6	-71.1	164.9	0	0	0	110.6	N28 V29 T93 S94 F99 L100 T101 A111 R112 V115	N28-I97 HydrophobicContact CB-CG2 4.25Å; N28-I97 WeakPolarHBondContact O-CG2 3.29Å; V29-I97 HydrophobicContact CG2-CB 4.34Å; V29-I97 HydrophobicContact CG2-CG2 4.13Å; T93-I97 HydrophobicContact CG2-CD1 3.79Å; T93-I97 WeakPolarHBondContact O-CB 3.37Å; T93-I97 VanDerWaalsContact O-CG1 3.26Å; T93-I97 WeakPolarHBondContact O-CG1 3.16Å; T93-I97 PolarHBondContact O-N 2.74Å; S94-I97 PolarHBondContact O-N 3.36Å; I97-F99 VanDerWaalsContact C-N 3.26Å; I97-F99 PolarHBondContact O-N 3.32Å; I97-L100 PolarHBondContact O-N 2.81Å; I97-T101 WeakPolarHBondContact O-CG2 3.43Å; I97-T101 PolarHBondContact O-N 2.81Å; I97-T101 PolarHBondContact O-OG1 3.44Å; I97-A111 HydrophobicContact CG2-CB 4.11Å; I97-R112 HydrophobicContact CD1-CG 3.61Å; I97-R112 HydrophobicContact CG1-CG 4.2Å; I97-V115 HydrophobicContact CG1-CG2 4.04Å
98	N	88.6	Confident	90.2	Very high	39 Å²	39	46 Å²	46	21%	0.209	25%	0.251	C	S	.	.	H	α-helix	trans	-58.8	-42.6	-180	-83.7	-30.1	0	0	0	111.3	N28 S94 S95 T101	N28-N98 VanDerWaalsContact CB-OD1 3.29Å; N28-N98 WeakPolarHBondContact CB-OD1 3.41Å; N28-N98 PolarHBondContact ND2-OD1 3.33Å; S94-N98 WeakPolarHBondContact O-CB 3.47Å; S94-N98 PolarHBondContact O-N 3.29Å; S94-N98 PolarHBondContact O-ND2 2.87Å; S95-N98 PolarHBondContact O-N 3.32Å; N98-T101 PolarHBondContact O-N 3.02Å; N98-T101 PolarHBondContact O-OG1 2.91Å
99	F	88.4	Confident	90.5	Very high	56 Å²	56	48 Å²	48	25%	0.246	27%	0.27	C	S	.	.	H	α-helix	trans	-61.6	-52.8	178	-178.2	-98.5	0	0	0	112	S95 S96 I97 T101 R102 L122 F144	S95-F99 VanDerWaalsContact O-CB 3.24Å; S95-F99 WeakPolarHBondContact O-CB 3.49Å; S95-F99 PolarHBondContact O-N 3.34Å; S96-F99 PolarHBondContact O-N 2.88Å; I97-F99 VanDerWaalsContact C-N 3.26Å; I97-F99 PolarHBondContact O-N 3.32Å; F99-T101 PolarHBondContact O-N 2.84Å; F99-R102 VanDerWaalsContact O-CB 3.27Å; F99-R102 WeakPolarHBondContact O-CB 3.31Å; F99-R102 PolarHBondContact O-N 2.67Å; F99-L122 HydrophobicContact CD1-CD1 4.39Å; F99-L122 HydrophobicContact CE1-CB 3.55Å; F99-L122 HydrophobicContact CE1-CD1 3.38Å; F99-L122 HydrophobicContact CE1-CG 4.07Å; F99-L122 HydrophobicContact CZ-CB 3.67Å; F99-L122 HydrophobicContact CZ-CD1 3.53Å; F99-L122 HydrophobicContact CZ-CG 4.19Å; F99-F144 HydrophobicContact CE2-CZ 4.48Å
100	L	91.4	Very high	90.8	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-61	-33.1	-179.9	-67.9	171.4	0	0	0	112.6	S96 I97 R102 V103 I106 A111 F114 V115 V119 L126	S96-L100 WeakPolarHBondContact O-CB 3.48Å; S96-L100 VanDerWaalsContact O-CG 3.25Å; S96-L100 WeakPolarHBondContact O-CG 3.44Å; S96-L100 PolarHBondContact O-N 2.96Å; I97-L100 PolarHBondContact O-N 2.81Å; L100-R102 PolarHBondContact O-N 3.24Å; L100-V103 WeakPolarHBondContact O-CB 3.25Å; L100-V103 PolarHBondContact O-N 3.37Å; L100-V103 VanDerWaalsContact O-N 3.16Å; L100-I106 HydrophobicContact CB-CG2 4.28Å; L100-I106 WeakPolarHBondContact O-CB 3.49Å; L100-A111 HydrophobicContact CB-CB 3.9Å; L100-A111 HydrophobicContact CD1-CB 4.46Å; L100-F114 HydrophobicContact CD1-CB 4.01Å; L100-V115 HydrophobicContact CD1-CG2 3.69Å; L100-V119 HydrophobicContact CD2-CG1 4.16Å; L100-L126 HydrophobicContact CD2-CD1 3.36Å; L100-L126 HydrophobicContact CD2-CD2 4.1Å; L100-L126 HydrophobicContact CD2-CG 3.67Å
101	T	93.1	Very high	91	Very high	27 Å²	27	37.2 Å²	37.2	17%	0.166	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-8.1	176.8	55.3	0	0	0	0	115	N28 I97 N98 F99 V103 I106 A111	N28-T101 HydrophobicContact CB-CG2 4.2Å; N28-T101 PolarHBondContact ND2-OG1 3.03Å; N28-T101 VanDerWaalsContact ND2-OG1 3.09Å; I97-T101 WeakPolarHBondContact O-CG2 3.43Å; I97-T101 PolarHBondContact O-N 2.81Å; I97-T101 PolarHBondContact O-OG1 3.44Å; N98-T101 PolarHBondContact O-N 3.02Å; N98-T101 PolarHBondContact O-OG1 2.91Å; F99-T101 PolarHBondContact O-N 2.84Å; T101-V103 VanDerWaalsContact C-N 3.31Å; T101-I106 WeakPolarHBondContact CA-O 3.47Å; T101-A111 HydrophobicContact CG2-CB 3.71Å
102	R	92.7	Very high	91.2	Very high	122 Å²	122	36.7 Å²	36.7	46%	0.46	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-25.7	171.1	-64.8	161.9	63.2	-173.8	-1.4	111.6	F99 L100 T104 F144 E148	F99-R102 VanDerWaalsContact O-CB 3.27Å; F99-R102 WeakPolarHBondContact O-CB 3.31Å; F99-R102 PolarHBondContact O-N 2.67Å; L100-R102 PolarHBondContact O-N 3.24Å; R102-T104 PolarHBondContact O-N 3Å; R102-F144 HydrophobicContact CB-CE2 3.58Å; R102-F144 HydrophobicContact CB-CZ 4.03Å; R102-E148 IonicContact CZ-OE1 3Å; R102-E148 IonicContact CZ-OE2 3.84Å; R102-E148 IonicContact NE-OE1 3.57Å; R102-E148 PolarHBondContact NE-OE1 3.42Å; R102-E148 IonicContact NH2-OE1 2.69Å; R102-E148 PolarHBondContact NH2-OE1 3.46Å; R102-E148 IonicContact NH2-OE2 2.79Å; R102-E148 PolarHBondContact NH2-OE2 3.28Å
103	V	93.3	Very high	91.5	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.006	21%	0.214	C	C	.	.	S	Bend	trans	-71.5	118.5	174.3	-177	0	0	0	0	109.2	L100 T101 G105 I106 L122 L126 L141 F144	L100-V103 WeakPolarHBondContact O-CB 3.25Å; L100-V103 PolarHBondContact O-N 3.37Å; L100-V103 VanDerWaalsContact O-N 3.16Å; T101-V103 VanDerWaalsContact C-N 3.31Å; V103-G105 PolarHBondContact O-N 2.71Å; V103-I106 HydrophobicContact CB-CB 4.33Å; V103-I106 HydrophobicContact CB-CD1 3.82Å; V103-I106 HydrophobicContact CB-CG1 4.03Å; V103-I106 HydrophobicContact CG1-CD1 3.9Å; V103-I106 HydrophobicContact CG1-CG1 4.05Å; V103-I106 HydrophobicContact CG2-CD1 4.34Å; V103-I106 WeakPolarHBondContact O-CB 3.4Å; V103-I106 PolarHBondContact O-N 3.4Å; V103-L122 HydrophobicContact CG2-CD1 3.62Å; V103-L126 HydrophobicContact CG2-CD1 4.12Å; V103-L141 HydrophobicContact CG1-CB 4.43Å; V103-F144 HydrophobicContact CG2-CD2 3.78Å; V103-F144 HydrophobicContact CG2-CE2 4.01Å
104	T	93.8	Very high	91.7	Very high	40 Å²	40	34.2 Å²	34.2	25%	0.245	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	135.3	178.1	-172.8	0	0	0	0	110.9	R102 H136 F147 L229	R102-T104 PolarHBondContact O-N 3Å; T104-H136 PolarHBondContact OG1-NE2 3.4Å; T104-F147 HydrophobicContact CG2-CD2 3.77Å; T104-F147 HydrophobicContact CG2-CE2 3.69Å; T104-L229 HydrophobicContact CG2-CD1 4.45Å
105	G	93.8	Very high	91.9	Very high	29 Å²	29	34.8 Å²	34.8	30%	0.299	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.4	-12.3	-172.6	0	0	0	0	0	114.8	V103 H136 Q137	V103-G105 PolarHBondContact O-N 2.71Å; G105-H136 PolarHBondContact N-NE2 2.56Å; G105-Q137 WeakPolarHBondContact O-CG 3.38Å; G105-Q137 PolarHBondContact O-NE2 3.24Å
106	I	94.4	Very high	92	Very high	7 Å²	7	40 Å²	40	4%	0.036	22%	0.218	C	C	.	.			trans	-97.6	101.9	171.8	-56.9	-172	0	0	0	109.9	L100 T101 V103 A110 A111 F114 L126 Q137	L100-I106 HydrophobicContact CB-CG2 4.28Å; L100-I106 WeakPolarHBondContact O-CB 3.49Å; T101-I106 WeakPolarHBondContact CA-O 3.47Å; V103-I106 HydrophobicContact CB-CB 4.33Å; V103-I106 HydrophobicContact CB-CD1 3.82Å; V103-I106 HydrophobicContact CB-CG1 4.03Å; V103-I106 HydrophobicContact CG1-CD1 3.9Å; V103-I106 HydrophobicContact CG1-CG1 4.05Å; V103-I106 HydrophobicContact CG2-CD1 4.34Å; V103-I106 WeakPolarHBondContact O-CB 3.4Å; V103-I106 PolarHBondContact O-N 3.4Å; I106-A110 HydrophobicContact CG2-CB 4.1Å; I106-A111 HydrophobicContact CG2-CB 3.94Å; I106-F114 HydrophobicContact CD1-CD2 4.35Å; I106-F114 HydrophobicContact CD1-CE2 4.05Å; I106-F114 HydrophobicContact CG1-CE2 4.42Å; I106-F114 HydrophobicContact CG2-CD2 4.36Å; I106-F114 HydrophobicContact CG2-CE2 4.45Å; I106-L126 HydrophobicContact CD1-CD1 4.39Å; I106-L126 HydrophobicContact CD1-CD2 4.1Å; I106-Q137 HydrophobicContact CG1-CB 4.31Å; I106-Q137 HydrophobicContact CG1-CG 3.73Å
107	G	93.9	Very high	92	Very high	32 Å²	32	43.2 Å²	43.2	33%	0.33	23%	0.232	S	C	.	.			trans	-86.7	174.6	173.3	0	0	0	0	0	114	A109 A110 A111	G107-A109 PolarHBondContact O-N 3.36Å; G107-A110 PolarHBondContact O-N 3.27Å; G107-A111 PolarHBondContact O-N 3.43Å
108	P	92.1	Very high	91.8	Very high	31 Å²	31	45.2 Å²	45.2	20%	0.201	25%	0.253	C	S	.	.	H	α-helix	trans	-54.8	-27.5	-178.4	-30.2	37.5	0	0	0	116	N28 R31 R112	N28-P108 WeakPolarHBondContact O-CB 3.41Å; R31-P108 HydrophobicContact CG-CB 3.88Å; P108-R112 PolarHBondContact O-N 2.99Å; P108-R112 PolarHBondContact O-NE 3.12Å
109	A	93.6	Very high	91.6	Very high	56 Å²	56	43.5 Å²	43.5	46%	0.463	24%	0.244	S	C	.	.	H	α-helix	trans	-78.9	-46.1	177.3	0	0	0	0	0	111.7	G107 R112 K113	G107-A109 PolarHBondContact O-N 3.36Å; A109-R112 PolarHBondContact O-N 3.46Å; A109-K113 PolarHBondContact O-N 3.42Å; A109-K113 VanDerWaalsContact O-N 3.14Å
110	A	93.1	Very high	91.1	Very high	26 Å²	26	45.5 Å²	45.5	22%	0.215	25%	0.252	C	S	.	.	H	α-helix	trans	-65.6	-44	177.5	0	0	0	0	0	111.3	I106 G107 R112 K113 F114	I106-A110 HydrophobicContact CG2-CB 4.1Å; G107-A110 PolarHBondContact O-N 3.27Å; A110-R112 VanDerWaalsContact C-N 3.33Å; A110-R112 PolarHBondContact O-N 2.96Å; A110-K113 PolarHBondContact O-N 3Å; A110-F114 HydrophobicContact CB-CE2 4.17Å; A110-F114 WeakPolarHBondContact O-CD2 3.28Å; A110-F114 WeakPolarHBondContact O-CG 3.44Å; A110-F114 PolarHBondContact O-N 3.37Å
111	A	92.6	Very high	90.3	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-55.6	-46.5	176.5	0	0	0	0	0	112	I97 L100 T101 I106 G107 F114 V115	I97-A111 HydrophobicContact CG2-CB 4.11Å; L100-A111 HydrophobicContact CB-CB 3.9Å; L100-A111 HydrophobicContact CD1-CB 4.46Å; T101-A111 HydrophobicContact CG2-CB 3.71Å; I106-A111 HydrophobicContact CG2-CB 3.94Å; G107-A111 PolarHBondContact O-N 3.43Å; A111-F114 PolarHBondContact O-N 3.13Å; A111-V115 WeakPolarHBondContact O-CG2 3.45Å; A111-V115 PolarHBondContact O-N 3.02Å
112	R	92.2	Very high	89.1	Confident	57 Å²	57	47.9 Å²	47.9	22%	0.215	27%	0.266	C	S	.	.	H	α-helix	trans	-58.3	-49.8	175	-108.4	177.6	-92	-105.5	-16.2	113.2	N28 V29 I97 P108 A109 A110 F114 V115 E116	N28-R112 PolarHBondContact O-NH2 2.82Å; V29-R112 PolarHBondContact O-NH1 3.15Å; V29-R112 PolarHBondContact O-NH2 3.48Å; I97-R112 HydrophobicContact CD1-CG 3.61Å; I97-R112 HydrophobicContact CG1-CG 4.2Å; P108-R112 PolarHBondContact O-N 2.99Å; P108-R112 PolarHBondContact O-NE 3.12Å; A109-R112 PolarHBondContact O-N 3.46Å; A110-R112 VanDerWaalsContact C-N 3.33Å; A110-R112 PolarHBondContact O-N 2.96Å; R112-F114 VanDerWaalsContact C-N 3.26Å; R112-F114 PolarHBondContact O-N 3.33Å; R112-V115 PolarHBondContact O-N 3.01Å; R112-V115 VanDerWaalsContact O-N 3.11Å; R112-E116 WeakPolarHBondContact O-CG 3.39Å; R112-E116 PolarHBondContact O-N 3.43Å
113	K	92.4	Very high	87.8	Confident	120 Å²	120	47.2 Å²	47.2	52%	0.522	27%	0.272	S	S	.	.	H	α-helix	trans	-57	-43.8	179	-179	-178	168	-177.3	0	110.8	A109 A110 E116 E117	A109-K113 PolarHBondContact O-N 3.42Å; A109-K113 VanDerWaalsContact O-N 3.14Å; A110-K113 PolarHBondContact O-N 3Å; K113-E116 PolarHBondContact O-N 3.41Å; K113-E117 WeakPolarHBondContact CE-OE1 3.37Å; K113-E117 WeakPolarHBondContact O-CG 3.2Å; K113-E117 PolarHBondContact O-N 3.31Å
114	F	91.7	Very high	86.4	Confident	10 Å²	10	50.9 Å²	50.9	4%	0.044	29%	0.294	C	S	.	.	H	α-helix	trans	-63.6	-42.1	176.3	-69.8	-45.7	0	0	0	112.4	L100 I106 A110 A111 R112 E116 E117 G118 V119 K132 L133	L100-F114 HydrophobicContact CD1-CB 4.01Å; I106-F114 HydrophobicContact CD1-CD2 4.35Å; I106-F114 HydrophobicContact CD1-CE2 4.05Å; I106-F114 HydrophobicContact CG1-CE2 4.42Å; I106-F114 HydrophobicContact CG2-CD2 4.36Å; I106-F114 HydrophobicContact CG2-CE2 4.45Å; A110-F114 HydrophobicContact CB-CE2 4.17Å; A110-F114 WeakPolarHBondContact O-CD2 3.28Å; A110-F114 WeakPolarHBondContact O-CG 3.44Å; A110-F114 PolarHBondContact O-N 3.37Å; A111-F114 PolarHBondContact O-N 3.13Å; R112-F114 VanDerWaalsContact C-N 3.26Å; R112-F114 PolarHBondContact O-N 3.33Å; F114-E116 PolarHBondContact O-N 3.31Å; F114-E117 CarbonylContact O-C 3.39Å; F114-E117 WeakPolarHBondContact O-CA 3.34Å; F114-E117 PolarHBondContact O-N 3Å; F114-E117 VanDerWaalsContact O-N 3.12Å; F114-G118 PolarHBondContact O-N 3.29Å; F114-V119 HydrophobicContact CB-CB 3.93Å; F114-V119 HydrophobicContact CB-CG1 4.28Å; F114-V119 HydrophobicContact CB-CG2 4.28Å; F114-V119 VanDerWaalsContact O-CB 3.28Å; F114-V119 WeakPolarHBondContact O-CB 3.48Å; F114-V119 PolarHBondContact O-N 3.03Å; F114-K132 HydrophobicContact CE1-CB 4.34Å; F114-L133 HydrophobicContact CE1-CD2 4.14Å; F114-L133 HydrophobicContact CE2-CD2 3.91Å; F114-L133 HydrophobicContact CZ-CD2 3.47Å; F114-L133 VanDerWaalsContact CZ-CD2 3.47Å
115	V	90.9	Very high	85.4	Confident	15 Å²	15	50.6 Å²	50.6	9%	0.091	29%	0.291	C	S	.	.	H	α-helix	trans	-63.6	-40.4	175.9	174.6	0	0	0	0	112.3	T93 I97 L100 A111 R112 E117 G118 V119	T93-V115 HydrophobicContact CG2-CG1 4.21Å; I97-V115 HydrophobicContact CG1-CG2 4.04Å; L100-V115 HydrophobicContact CD1-CG2 3.69Å; A111-V115 WeakPolarHBondContact O-CG2 3.45Å; A111-V115 PolarHBondContact O-N 3.02Å; R112-V115 PolarHBondContact O-N 3.01Å; R112-V115 VanDerWaalsContact O-N 3.11Å; V115-E117 PolarHBondContact O-N 2.8Å; V115-G118 PolarHBondContact O-N 2.95Å; V115-V119 WeakPolarHBondContact CA-O 3.28Å
116	E	90.3	Very high	84.3	Confident	158 Å²	158	49.2 Å²	49.2	74%	0.738	28%	0.277	S	S	*	.	H	α-helix	trans	-62.5	-31.7	173.7	-72	166.5	-169.1	0	0	112	R112 K113 F114 G118	R112-E116 WeakPolarHBondContact O-CG 3.39Å; R112-E116 PolarHBondContact O-N 3.43Å; K113-E116 PolarHBondContact O-N 3.41Å; F114-E116 PolarHBondContact O-N 3.31Å; E116-G118 PolarHBondContact O-N 3.43Å
117	E	88.3	Confident	83.4	Confident	79 Å²	79	54.9 Å²	54.9	37%	0.369	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	5.4	173.3	-67.4	178	-159.1	0	0	113.6	K113 F114 V115 K132	K113-E117 WeakPolarHBondContact CE-OE1 3.37Å; K113-E117 WeakPolarHBondContact O-CG 3.2Å; K113-E117 PolarHBondContact O-N 3.31Å; F114-E117 CarbonylContact O-C 3.39Å; F114-E117 WeakPolarHBondContact O-CA 3.34Å; F114-E117 PolarHBondContact O-N 3Å; F114-E117 VanDerWaalsContact O-N 3.12Å; V115-E117 PolarHBondContact O-N 2.8Å; E117-K132 WeakPolarHBondContact OE2-CD 3.24Å; E117-K132 IonicContact OE2-NZ 2.59Å; E117-K132 PolarHBondContact OE2-NZ 2.57Å
118	G	86.9	Confident	82.6	Confident	44 Å²	44	59.9 Å²	59.9	45%	0.454	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.7	5.5	175.6	0	0	0	0	0	115.5	F114 V115 E116 K120	F114-G118 PolarHBondContact O-N 3.29Å; V115-G118 PolarHBondContact O-N 2.95Å; E116-G118 PolarHBondContact O-N 3.43Å; G118-K120 PolarHBondContact O-N 3.23Å
119	V	84.3	Confident	82.1	Confident	3 Å²	3	59.2 Å²	59.2	2%	0.018	31%	0.31	C	S	.	.			trans	-81.8	112.2	178.1	-179.2	0	0	0	0	109.5	L100 F114 V115 D125 L126 V129	L100-V119 HydrophobicContact CD2-CG1 4.16Å; F114-V119 HydrophobicContact CB-CB 3.93Å; F114-V119 HydrophobicContact CB-CG1 4.28Å; F114-V119 HydrophobicContact CB-CG2 4.28Å; F114-V119 VanDerWaalsContact O-CB 3.28Å; F114-V119 WeakPolarHBondContact O-CB 3.48Å; F114-V119 PolarHBondContact O-N 3.03Å; V115-V119 WeakPolarHBondContact CA-O 3.28Å; V119-D125 HydrophobicContact CB-CB 4.1Å; V119-D125 HydrophobicContact CG1-CB 3.67Å; V119-D125 HydrophobicContact CG2-CB 4.41Å; V119-L126 HydrophobicContact CG1-CD2 4.03Å; V119-L126 HydrophobicContact CG1-CG 3.86Å; V119-V129 HydrophobicContact CG1-CG2 4.36Å; V119-V129 HydrophobicContact CG2-CB 4.34Å; V119-V129 HydrophobicContact CG2-CG1 3.73Å; V119-V129 HydrophobicContact CG2-CG2 3.72Å
120	K	78.1	Confident	81.7	Confident	98 Å²	98	61.1 Å²	61.1	43%	0.426	31%	0.309	S	S	.	.			trans	-122.4	-18.2	-177.3	-62.8	-175.9	-178.6	-177	0	113.6	G118 D125	G118-K120 PolarHBondContact O-N 3.23Å; K120-D125 PolarHBondContact N-OD2 3.41Å
121	T	74.7	Confident	81.5	Confident	65 Å²	65	66.5 Å²	66.5	40%	0.399	33%	0.329	S	S	.	.			trans	-130.8	154.4	-175.7	64.8	0	0	0	0	113	D125 L126	T121-D125 PolarHBondContact N-OD2 2.8Å; T121-D125 WeakPolarHBondContact O-CB 3.42Å; T121-D125 PolarHBondContact O-N 3.46Å; T121-D125 PolarHBondContact OG1-OD2 3.26Å; T121-L126 PolarHBondContact O-N 3.12Å
122	L	68	Low	81.4	Confident	12 Å²	12	71.3 Å²	71.3	6%	0.063	35%	0.35	C	S	.	.	I	π-helix	trans	-70.7	-52.5	-178.9	-138.1	103.4	0	0	0	111.5	F99 V103 L126 L141 F144	F99-L122 HydrophobicContact CD1-CD1 4.39Å; F99-L122 HydrophobicContact CE1-CB 3.55Å; F99-L122 HydrophobicContact CE1-CD1 3.38Å; F99-L122 HydrophobicContact CE1-CG 4.07Å; F99-L122 HydrophobicContact CZ-CB 3.67Å; F99-L122 HydrophobicContact CZ-CD1 3.53Å; F99-L122 HydrophobicContact CZ-CG 4.19Å; V103-L122 HydrophobicContact CG2-CD1 3.62Å; L122-L126 HydrophobicContact CD1-CD1 4.01Å; L122-L126 HydrophobicContact CG-CD1 4.06Å; L122-L126 WeakPolarHBondContact O-CB 3.41Å; L122-L126 PolarHBondContact O-N 3.31Å; L122-L141 HydrophobicContact CD1-CD1 4.48Å; L122-L141 HydrophobicContact CD2-CD1 3.64Å; L122-L141 HydrophobicContact CG-CD1 3.74Å; L122-F144 HydrophobicContact CD1-CD1 4.02Å; L122-F144 HydrophobicContact CD1-CD2 4.1Å; L122-F144 HydrophobicContact CD1-CE1 3.95Å; L122-F144 HydrophobicContact CD1-CE2 4.03Å; L122-F144 HydrophobicContact CD1-CG 4.08Å; L122-F144 HydrophobicContact CD1-CZ 3.95Å; L122-F144 HydrophobicContact CD2-CB 4.08Å; L122-F144 HydrophobicContact CD2-CD1 3.52Å; L122-F144 HydrophobicContact CD2-CE1 4.11Å; L122-F144 HydrophobicContact CD2-CG 3.8Å; L122-F144 HydrophobicContact CG-CD1 4.45Å
123	D	64.8	Low	81.4	Confident	108 Å²	108	69 Å²	69	58%	0.578	34%	0.342	S	S	*	.	I	π-helix	trans	-73.3	-39.2	-164	-63.3	-46.3	0	0	0	112.5
124	V	64.8	Low	81.6	Confident	78 Å²	78	67.1 Å²	67.1	47%	0.473	34%	0.338	S	S	.	.	I	π-helix	trans	-97.5	-39.9	-173.6	179.5	0	0	0	0	110.9	K128	V124-K128 WeakPolarHBondContact O-CD 3.23Å; V124-K128 WeakPolarHBondContact O-CE 3.34Å; V124-K128 WeakPolarHBondContact O-CG 3.42Å
125	D	72	Confident	81.8	Confident	34 Å²	34	72.2 Å²	72.2	18%	0.182	36%	0.361	C	S	.	.	I	π-helix	trans	-98.6	-43.7	-168.9	-51.8	-38.9	0	0	0	113.1	V119 K120 T121 K127 K128 V129	V119-D125 HydrophobicContact CB-CB 4.1Å; V119-D125 HydrophobicContact CG1-CB 3.67Å; V119-D125 HydrophobicContact CG2-CB 4.41Å; K120-D125 PolarHBondContact N-OD2 3.41Å; T121-D125 PolarHBondContact N-OD2 2.8Å; T121-D125 WeakPolarHBondContact O-CB 3.42Å; T121-D125 PolarHBondContact O-N 3.46Å; T121-D125 PolarHBondContact OG1-OD2 3.26Å; D125-K127 PolarHBondContact O-N 3.37Å; D125-K128 WeakPolarHBondContact O-CB 3.42Å; D125-K128 PolarHBondContact O-N 2.94Å; D125-V129 WeakPolarHBondContact O-CG2 3.39Å; D125-V129 PolarHBondContact O-N 3.1Å; D125-V129 VanDerWaalsContact O-N 3.14Å
126	L	72	Confident	82.1	Confident	1 Å²	1	73.5 Å²	73.5	1%	0.005	37%	0.366	C	S	.	.	I	π-helix	trans	-66	-39.4	-179.6	-90.3	174.8	0	0	0	112.4	L100 V103 I106 V119 T121 L122 K128 V129 E130 L133 L141	L100-L126 HydrophobicContact CD2-CD1 3.36Å; L100-L126 HydrophobicContact CD2-CD2 4.1Å; L100-L126 HydrophobicContact CD2-CG 3.67Å; V103-L126 HydrophobicContact CG2-CD1 4.12Å; I106-L126 HydrophobicContact CD1-CD1 4.39Å; I106-L126 HydrophobicContact CD1-CD2 4.1Å; V119-L126 HydrophobicContact CG1-CD2 4.03Å; V119-L126 HydrophobicContact CG1-CG 3.86Å; T121-L126 PolarHBondContact O-N 3.12Å; L122-L126 HydrophobicContact CD1-CD1 4.01Å; L122-L126 HydrophobicContact CG-CD1 4.06Å; L122-L126 WeakPolarHBondContact O-CB 3.41Å; L122-L126 PolarHBondContact O-N 3.31Å; L126-K128 VanDerWaalsContact C-N 3.29Å; L126-K128 PolarHBondContact O-N 3.13Å; L126-V129 HydrophobicContact CD2-CG2 4.15Å; L126-V129 CarbonylContact O-C 3.43Å; L126-V129 PolarHBondContact O-N 2.85Å; L126-E130 PolarHBondContact O-N 3.16Å; L126-E130 VanDerWaalsContact O-N 3.08Å; L126-L133 HydrophobicContact CD2-CD2 4.01Å; L126-L141 HydrophobicContact CB-CD1 4.24Å; L126-L141 HydrophobicContact CB-CD2 4.16Å; L126-L141 HydrophobicContact CD1-CD1 4.26Å
127	K	74	Confident	82.4	Confident	125 Å²	125	66.6 Å²	66.6	54%	0.543	33%	0.334	S	S	.	.	H	α-helix	trans	-62	-35.4	173.4	-70.1	-175.8	-179.8	170.4	0	112.2	D125 V129 E130 L141	D125-K127 PolarHBondContact O-N 3.37Å; K127-V129 VanDerWaalsContact C-N 3.33Å; K127-V129 PolarHBondContact O-N 3.47Å; K127-E130 WeakPolarHBondContact O-CB 3.33Å; K127-E130 PolarHBondContact O-N 3.38Å; K127-L141 HydrophobicContact CG-CD2 4.48Å
128	K	77.9	Confident	82.7	Confident	138 Å²	138	66.9 Å²	66.9	60%	0.6	33%	0.334	S	S	*	.	H	α-helix	trans	-69.1	-31	175.9	-72.1	172.9	-167.6	170.1	0	112.9	V124 D125 L126 H131	V124-K128 WeakPolarHBondContact O-CD 3.23Å; V124-K128 WeakPolarHBondContact O-CE 3.34Å; V124-K128 WeakPolarHBondContact O-CG 3.42Å; D125-K128 WeakPolarHBondContact O-CB 3.42Å; D125-K128 PolarHBondContact O-N 2.94Å; L126-K128 VanDerWaalsContact C-N 3.29Å; L126-K128 PolarHBondContact O-N 3.13Å; K128-H131 PolarHBondContact O-ND1 3.42Å
129	V	82.6	Confident	83.2	Confident	17 Å²	17	65.2 Å²	65.2	10%	0.103	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	18	177.7	-58.4	0	0	0	0	113.3	V119 D125 L126 K127 H131 K132	V119-V129 HydrophobicContact CG1-CG2 4.36Å; V119-V129 HydrophobicContact CG2-CB 4.34Å; V119-V129 HydrophobicContact CG2-CG1 3.73Å; V119-V129 HydrophobicContact CG2-CG2 3.72Å; D125-V129 WeakPolarHBondContact O-CG2 3.39Å; D125-V129 PolarHBondContact O-N 3.1Å; D125-V129 VanDerWaalsContact O-N 3.14Å; L126-V129 HydrophobicContact CD2-CG2 4.15Å; L126-V129 CarbonylContact O-C 3.43Å; L126-V129 PolarHBondContact O-N 2.85Å; K127-V129 VanDerWaalsContact C-N 3.33Å; K127-V129 PolarHBondContact O-N 3.47Å; V129-H131 PolarHBondContact O-N 2.85Å; V129-H131 VanDerWaalsContact O-N 3.1Å; V129-K132 HydrophobicContact CB-CB 4.49Å; V129-K132 HydrophobicContact CB-CD 4.19Å; V129-K132 HydrophobicContact CB-CG 4.4Å; V129-K132 HydrophobicContact CG1-CD 4.39Å; V129-K132 WeakPolarHBondContact O-CA 3.41Å; V129-K132 WeakPolarHBondContact O-CB 3.48Å; V129-K132 PolarHBondContact O-N 3.37Å
130	E	84.8	Confident	83.7	Confident	95 Å²	95	65 Å²	65	44%	0.444	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-55.5	-34.3	-177.7	-171.6	-179.1	174.3	0	0	112.5	L126 K127 K132 L133 K138	L126-E130 PolarHBondContact O-N 3.16Å; L126-E130 VanDerWaalsContact O-N 3.08Å; K127-E130 WeakPolarHBondContact O-CB 3.33Å; K127-E130 PolarHBondContact O-N 3.38Å; E130-K132 PolarHBondContact O-N 3.01Å; E130-K132 VanDerWaalsContact O-N 3.17Å; E130-L133 HydrophobicContact CG-CD1 4.47Å; E130-L133 WeakPolarHBondContact O-CB 3.5Å; E130-L133 PolarHBondContact O-N 3.25Å; E130-K138 HydrophobicContact CG-CG 4.31Å; E130-K138 WeakPolarHBondContact O-CE 3.14Å
131	H	88	Confident	84.4	Confident	140 Å²	140	61.3 Å²	61.3	65%	0.648	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-61.4	-20.5	174.7	67	-83.2	0	0	0	114.2	K128 V129	K128-H131 PolarHBondContact O-ND1 3.42Å; V129-H131 PolarHBondContact O-N 2.85Å; V129-H131 VanDerWaalsContact O-N 3.1Å
132	K	90.4	Very high	85.3	Confident	100 Å²	100	64.3 Å²	64.3	44%	0.435	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-91.2	-12.1	175.6	-57.3	-174.4	177.1	173.3	0	113	F114 E117 V129 E130	F114-K132 HydrophobicContact CE1-CB 4.34Å; E117-K132 WeakPolarHBondContact OE2-CD 3.24Å; E117-K132 IonicContact OE2-NZ 2.59Å; E117-K132 PolarHBondContact OE2-NZ 2.57Å; V129-K132 HydrophobicContact CB-CB 4.49Å; V129-K132 HydrophobicContact CB-CD 4.19Å; V129-K132 HydrophobicContact CB-CG 4.4Å; V129-K132 HydrophobicContact CG1-CD 4.39Å; V129-K132 WeakPolarHBondContact O-CA 3.41Å; V129-K132 WeakPolarHBondContact O-CB 3.48Å; V129-K132 PolarHBondContact O-N 3.37Å; E130-K132 PolarHBondContact O-N 3.01Å; E130-K132 VanDerWaalsContact O-N 3.17Å
133	L	93.3	Very high	86.6	Confident	8 Å²	8	64.2 Å²	64.2	4%	0.042	31%	0.305	C	S	.	.	S	Bend	trans	-76.6	139.5	179.3	-58	-175.1	0	0	0	110	F114 L126 E130 Q137 K138 L141	F114-L133 HydrophobicContact CE1-CD2 4.14Å; F114-L133 HydrophobicContact CE2-CD2 3.91Å; F114-L133 HydrophobicContact CZ-CD2 3.47Å; F114-L133 VanDerWaalsContact CZ-CD2 3.47Å; L126-L133 HydrophobicContact CD2-CD2 4.01Å; E130-L133 HydrophobicContact CG-CD1 4.47Å; E130-L133 WeakPolarHBondContact O-CB 3.5Å; E130-L133 PolarHBondContact O-N 3.25Å; L133-Q137 HydrophobicContact CB-CB 3.88Å; L133-Q137 HydrophobicContact CD2-CB 4.23Å; L133-Q137 HydrophobicContact CG-CB 4.43Å; L133-K138 HydrophobicContact CB-CG 3.72Å; L133-K138 VanDerWaalsContact O-CE 3.25Å; L133-K138 WeakPolarHBondContact O-CE 3.36Å; L133-L141 HydrophobicContact CD1-CB 4.45Å; L133-L141 HydrophobicContact CD1-CD2 3.75Å
134	N	95.7	Very high	88	Confident	82 Å²	82	60 Å²	60	44%	0.439	28%	0.281	S	S	.	.			trans	-75.2	171.2	167.8	70.8	39.1	0	0	0	110.9	H136 Q137 K138	N134-H136 PolarHBondContact O-N 3.09Å; N134-H136 PolarHBondContact OD1-N 3.4Å; N134-Q137 PolarHBondContact ND2-NE2 3.28Å; N134-Q137 PolarHBondContact O-N 2.81Å; N134-Q137 VanDerWaalsContact O-N 3.14Å; N134-Q137 VanDerWaalsContact OD1-CG 3.29Å; N134-Q137 WeakPolarHBondContact OD1-CG 3.14Å; N134-Q137 PolarHBondContact OD1-N 3.24Å; N134-K138 WeakPolarHBondContact O-CG 3.29Å; N134-K138 PolarHBondContact O-N 3.49Å
135	H	96.9	Very high	89.4	Confident	116 Å²	116	63 Å²	63	54%	0.537	29%	0.29	S	S	.	.	H	α-helix	trans	-52.1	-49.6	-177.6	-177.1	66.4	0	0	0	113.9	Q137 K138 I139 T228	H135-Q137 PolarHBondContact O-N 2.79Å; H135-K138 PolarHBondContact O-N 2.93Å; H135-I139 VanDerWaalsContact NE2-CD1 3.27Å; H135-I139 WeakPolarHBondContact NE2-CD1 3.27Å; H135-I139 PolarHBondContact O-N 3.02Å; H135-T228 PolarHBondContact CD2-O 2.81Å; H135-T228 VanDerWaalsContact CD2-O 3.31Å; H135-T228 PolarHBondContact NE2-O 3.08Å
136	H	97.4	Very high	90.6	Very high	43 Å²	43	63.4 Å²	63.4	20%	0.199	29%	0.291	C	S	.	.	H	α-helix	trans	-58.9	-48	177.7	-176.3	167.5	0	0	0	110.8	T104 G105 N134 K138 I139 G140	T104-H136 PolarHBondContact OG1-NE2 3.4Å; G105-H136 PolarHBondContact N-NE2 2.56Å; N134-H136 PolarHBondContact O-N 3.09Å; N134-H136 PolarHBondContact OD1-N 3.4Å; H136-K138 VanDerWaalsContact C-N 3.31Å; H136-K138 PolarHBondContact O-N 2.69Å; H136-I139 PolarHBondContact O-N 3.24Å; H136-G140 PolarHBondContact O-N 3.38Å
137	Q	95.5	Very high	91.7	Very high	13 Å²	13	65.3 Å²	65.3	6%	0.061	30%	0.299	C	S	.	.	H	α-helix	trans	-62.5	-35.8	-179.3	-68.8	168.1	-12.3	0	0	112.9	G105 I106 L133 N134 H135 G140 L141	G105-Q137 WeakPolarHBondContact O-CG 3.38Å; G105-Q137 PolarHBondContact O-NE2 3.24Å; I106-Q137 HydrophobicContact CG1-CB 4.31Å; I106-Q137 HydrophobicContact CG1-CG 3.73Å; L133-Q137 HydrophobicContact CB-CB 3.88Å; L133-Q137 HydrophobicContact CD2-CB 4.23Å; L133-Q137 HydrophobicContact CG-CB 4.43Å; N134-Q137 PolarHBondContact ND2-NE2 3.28Å; N134-Q137 PolarHBondContact O-N 2.81Å; N134-Q137 VanDerWaalsContact O-N 3.14Å; N134-Q137 VanDerWaalsContact OD1-CG 3.29Å; N134-Q137 WeakPolarHBondContact OD1-CG 3.14Å; N134-Q137 PolarHBondContact OD1-N 3.24Å; H135-Q137 PolarHBondContact O-N 2.79Å; Q137-G140 PolarHBondContact O-N 3.37Å; Q137-L141 WeakPolarHBondContact O-CB 3.24Å; Q137-L141 PolarHBondContact O-N 3.44Å
138	K	95.4	Very high	92.7	Very high	84 Å²	84	63.8 Å²	63.8	37%	0.365	29%	0.294	S	S	.	.	H	α-helix	trans	-63.9	-47.2	175.7	-70.5	-179.9	-179.3	-177.7	0	111.7	E130 L133 N134 H135 H136 G140 L141 K142	E130-K138 HydrophobicContact CG-CG 4.31Å; E130-K138 WeakPolarHBondContact O-CE 3.14Å; L133-K138 HydrophobicContact CB-CG 3.72Å; L133-K138 VanDerWaalsContact O-CE 3.25Å; L133-K138 WeakPolarHBondContact O-CE 3.36Å; N134-K138 WeakPolarHBondContact O-CG 3.29Å; N134-K138 PolarHBondContact O-N 3.49Å; H135-K138 PolarHBondContact O-N 2.93Å; H136-K138 VanDerWaalsContact C-N 3.31Å; H136-K138 PolarHBondContact O-N 2.69Å; K138-G140 VanDerWaalsContact C-N 3.32Å; K138-G140 PolarHBondContact O-N 2.94Å; K138-L141 PolarHBondContact O-N 3.44Å; K138-K142 WeakPolarHBondContact O-CB 3.41Å; K138-K142 PolarHBondContact O-N 2.95Å
139	I	96.4	Very high	93.6	Very high	9 Å²	9	62.2 Å²	62.2	5%	0.046	29%	0.287	C	S	.	.	H	α-helix	trans	-64.9	-40.7	175.9	-64.4	167.7	0	0	0	110.5	H135 H136 L141 K142 Y143 D227 T228 L229 V239	H135-I139 VanDerWaalsContact NE2-CD1 3.27Å; H135-I139 WeakPolarHBondContact NE2-CD1 3.27Å; H135-I139 PolarHBondContact O-N 3.02Å; H136-I139 PolarHBondContact O-N 3.24Å; I139-L141 VanDerWaalsContact C-N 3.25Å; I139-L141 PolarHBondContact O-N 2.93Å; I139-K142 WeakPolarHBondContact O-CB 3.45Å; I139-K142 PolarHBondContact O-N 3.39Å; I139-K142 VanDerWaalsContact O-N 3.16Å; I139-Y143 HydrophobicContact CG2-CD2 3.62Å; I139-Y143 HydrophobicContact CG2-CE2 3.75Å; I139-Y143 PolarHBondContact O-N 2.91Å; I139-Y143 VanDerWaalsContact O-N 3.09Å; I139-D227 HydrophobicContact CD1-CB 3.93Å; I139-D227 HydrophobicContact CG1-CB 4.45Å; I139-D227 HydrophobicContact CG2-CB 4.2Å; I139-T228 WeakPolarHBondContact CD1-O 3.28Å; I139-L229 HydrophobicContact CB-CD2 3.53Å; I139-L229 HydrophobicContact CD1-CD2 3.8Å; I139-L229 HydrophobicContact CG1-CD2 4.27Å; I139-L229 HydrophobicContact CG2-CD2 3.41Å; I139-L229 VanDerWaalsContact CG2-CD2 3.41Å; I139-V239 HydrophobicContact CG2-CG2 3.78Å
140	G	95.1	Very high	94.3	Very high	0 Å²	0	67.3 Å²	67.3	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-61.6	-33.2	176.1	0	0	0	0	0	113.5	H136 Q137 K138 F144	H136-G140 PolarHBondContact O-N 3.38Å; Q137-G140 PolarHBondContact O-N 3.37Å; K138-G140 VanDerWaalsContact C-N 3.32Å; K138-G140 PolarHBondContact O-N 2.94Å; G140-F144 WeakPolarHBondContact O-CA 3.25Å; G140-F144 PolarHBondContact O-N 2.92Å
141	L	93.4	Very high	94.9	Very high	20 Å²	20	62.8 Å²	62.8	11%	0.105	28%	0.284	C	S	.	.	H	α-helix	trans	-74.2	-41.8	172.6	179.9	60.5	0	0	0	111.5	V103 L122 L126 K127 L133 Q137 K138 I139 Y143 F144	V103-L141 HydrophobicContact CG1-CB 4.43Å; L122-L141 HydrophobicContact CD1-CD1 4.48Å; L122-L141 HydrophobicContact CD2-CD1 3.64Å; L122-L141 HydrophobicContact CG-CD1 3.74Å; L126-L141 HydrophobicContact CB-CD1 4.24Å; L126-L141 HydrophobicContact CB-CD2 4.16Å; L126-L141 HydrophobicContact CD1-CD1 4.26Å; K127-L141 HydrophobicContact CG-CD2 4.48Å; L133-L141 HydrophobicContact CD1-CB 4.45Å; L133-L141 HydrophobicContact CD1-CD2 3.75Å; Q137-L141 WeakPolarHBondContact O-CB 3.24Å; Q137-L141 PolarHBondContact O-N 3.44Å; K138-L141 PolarHBondContact O-N 3.44Å; I139-L141 VanDerWaalsContact C-N 3.25Å; I139-L141 PolarHBondContact O-N 2.93Å; L141-Y143 VanDerWaalsContact C-N 3.33Å; L141-Y143 PolarHBondContact O-N 2.94Å; L141-F144 PolarHBondContact O-N 2.7Å
142	K	93.8	Very high	95.3	Very high	128 Å²	128	59.3 Å²	59.3	56%	0.557	27%	0.273	S	S	*	.	H	α-helix	trans	-55	-45.7	179	-177.6	-176.8	175.9	-167.7	0	112	K138 I139 D227	K138-K142 WeakPolarHBondContact O-CB 3.41Å; K138-K142 PolarHBondContact O-N 2.95Å; I139-K142 WeakPolarHBondContact O-CB 3.45Å; I139-K142 PolarHBondContact O-N 3.39Å; I139-K142 VanDerWaalsContact O-N 3.16Å; K142-D227 IonicContact NZ-OD1 2.77Å; K142-D227 PolarHBondContact NZ-OD1 3.44Å
143	Y	95.6	Very high	95.7	Very high	10 Å²	10	57.9 Å²	57.9	4%	0.039	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	23.9	-175.4	-55.7	-60.6	0	0	0	113.7	I139 L141 E145 E146 F147 D227 V239 H255	I139-Y143 HydrophobicContact CG2-CD2 3.62Å; I139-Y143 HydrophobicContact CG2-CE2 3.75Å; I139-Y143 PolarHBondContact O-N 2.91Å; I139-Y143 VanDerWaalsContact O-N 3.09Å; L141-Y143 VanDerWaalsContact C-N 3.33Å; L141-Y143 PolarHBondContact O-N 2.94Å; Y143-E145 PolarHBondContact O-N 3.42Å; Y143-E146 PolarHBondContact O-N 3.05Å; Y143-E146 VanDerWaalsContact O-N 3.15Å; Y143-F147 HydrophobicContact CD2-CE1 4.17Å; Y143-F147 HydrophobicContact CD2-CE2 4.4Å; Y143-F147 AromaticContact CD2-CZ 3.69Å; Y143-F147 HydrophobicContact CD2-CZ 3.69Å; Y143-F147 HydrophobicContact CG-CE1 4.1Å; Y143-F147 AromaticContact CG-CZ 3.99Å; Y143-F147 HydrophobicContact CG-CZ 3.99Å; Y143-F147 WeakPolarHBondContact O-CG 3.47Å; Y143-F147 PolarHBondContact O-N 3.08Å; Y143-D227 HydrophobicContact CE2-CB 4.42Å; Y143-D227 VanDerWaalsContact CE2-OD2 3.23Å; Y143-D227 WeakPolarHBondContact CE2-OD2 3.49Å; Y143-D227 VanDerWaalsContact CZ-OD2 3.28Å; Y143-D227 PolarHBondContact OH-OD2 3.09Å; Y143-V239 HydrophobicContact CD2-CG1 4.12Å; Y143-V239 HydrophobicContact CD2-CG2 4.13Å; Y143-V239 HydrophobicContact CE2-CB 4.37Å; Y143-V239 HydrophobicContact CE2-CG1 3.94Å; Y143-V239 HydrophobicContact CE2-CG2 4.1Å; Y143-H255 HydrophobicContact CD1-CB 3.79Å; Y143-H255 AromaticContact CD1-CG 3.69Å; Y143-H255 AromaticContact CD1-ND1 3.92Å; Y143-H255 HydrophobicContact CE1-CB 3.98Å; Y143-H255 AromaticContact CE1-CD2 3.46Å; Y143-H255 VanDerWaalsContact CE1-CD2 3.46Å; Y143-H255 WeakPolarHBondContact CE1-CD2 3.46Å; Y143-H255 AromaticContact CE1-CE1 3.74Å; Y143-H255 AromaticContact CE1-CG 3.39Å; Y143-H255 AromaticContact CE1-ND1 3.56Å; Y143-H255 AromaticContact CE1-NE2 3.65Å; Y143-H255 HydrophobicContact CG-CB 4.16Å; Y143-H255 AromaticContact CZ-CD2 3.51Å; Y143-H255 AromaticContact CZ-CG 3.89Å; Y143-H255 AromaticContact CZ-NE2 3.82Å; Y143-H255 PolarHBondContact OH-NE2 2.87Å
144	F	93.6	Very high	95.8	Very high	19 Å²	19	60.5 Å²	60.5	8%	0.083	29%	0.288	C	S	.	.	H	α-helix	trans	-52.3	-50.7	-172.8	175.2	-105.8	0	0	0	112.9	F99 R102 V103 L122 G140 L141	F99-F144 HydrophobicContact CE2-CZ 4.48Å; R102-F144 HydrophobicContact CB-CE2 3.58Å; R102-F144 HydrophobicContact CB-CZ 4.03Å; V103-F144 HydrophobicContact CG2-CD2 3.78Å; V103-F144 HydrophobicContact CG2-CE2 4.01Å; L122-F144 HydrophobicContact CD1-CD1 4.02Å; L122-F144 HydrophobicContact CD1-CD2 4.1Å; L122-F144 HydrophobicContact CD1-CE1 3.95Å; L122-F144 HydrophobicContact CD1-CE2 4.03Å; L122-F144 HydrophobicContact CD1-CG 4.08Å; L122-F144 HydrophobicContact CD1-CZ 3.95Å; L122-F144 HydrophobicContact CD2-CB 4.08Å; L122-F144 HydrophobicContact CD2-CD1 3.52Å; L122-F144 HydrophobicContact CD2-CE1 4.11Å; L122-F144 HydrophobicContact CD2-CG 3.8Å; L122-F144 HydrophobicContact CG-CD1 4.45Å; G140-F144 WeakPolarHBondContact O-CA 3.25Å; G140-F144 PolarHBondContact O-N 2.92Å; L141-F144 PolarHBondContact O-N 2.7Å
145	E	93.6	Very high	95.8	Very high	140 Å²	140	57.7 Å²	57.7	65%	0.654	27%	0.272	S	S	*	.	H	α-helix	trans	-68.1	-35.8	-178.5	-61.7	-174.6	176.6	0	0	112.5	Y143 E148	Y143-E145 PolarHBondContact O-N 3.42Å; E145-E148 PolarHBondContact O-N 3.5Å
146	E	96.3	Very high	95.9	Very high	43 Å²	43	52.2 Å²	52.2	20%	0.201	25%	0.247	C	C	.	.	H	α-helix	trans	-71.9	-38.8	-179.2	-60.6	-172.7	-114.5	0	0	111.8	Y143 E148 K149 L254 H255	Y143-E146 PolarHBondContact O-N 3.05Å; Y143-E146 VanDerWaalsContact O-N 3.15Å; E146-E148 PolarHBondContact O-N 2.72Å; E146-K149 WeakPolarHBondContact O-CB 3.3Å; E146-K149 PolarHBondContact O-N 2.71Å; E146-L254 HydrophobicContact CG-CD2 4.2Å; E146-L254 WeakPolarHBondContact OE2-CA 3.46Å; E146-H255 IonicContact OE1-ND1 2.7Å; E146-H255 PolarHBondContact OE1-ND1 3.14Å; E146-H255 WeakPolarHBondContact OE2-CB 3.26Å; E146-H255 IonicContact OE2-CG 2.95Å; E146-H255 PolarHBondContact OE2-N 2.7Å; E146-H255 IonicContact OE2-ND1 3.26Å; E146-H255 PolarHBondContact OE2-ND1 3.48Å
147	F	96.6	Very high	95.9	Very high	41 Å²	41	54.2 Å²	54.2	18%	0.18	26%	0.256	C	S	.	.	H	α-helix	trans	-68.7	-17.3	177.8	-69.6	-6.8	0	0	0	113.9	T104 Y143 V239 R257	T104-F147 HydrophobicContact CG2-CD2 3.77Å; T104-F147 HydrophobicContact CG2-CE2 3.69Å; Y143-F147 HydrophobicContact CD2-CE1 4.17Å; Y143-F147 HydrophobicContact CD2-CE2 4.4Å; Y143-F147 AromaticContact CD2-CZ 3.69Å; Y143-F147 HydrophobicContact CD2-CZ 3.69Å; Y143-F147 HydrophobicContact CG-CE1 4.1Å; Y143-F147 AromaticContact CG-CZ 3.99Å; Y143-F147 HydrophobicContact CG-CZ 3.99Å; Y143-F147 WeakPolarHBondContact O-CG 3.47Å; Y143-F147 PolarHBondContact O-N 3.08Å; F147-V239 HydrophobicContact CE1-CG1 4.03Å; F147-V239 HydrophobicContact CE1-CG2 4.28Å; F147-V239 HydrophobicContact CZ-CG1 4.18Å; F147-V239 HydrophobicContact CZ-CG2 3.63Å; F147-R257 HydrophobicContact CD1-CG 3.83Å; F147-R257 HydrophobicContact CD2-CG 4.03Å; F147-R257 HydrophobicContact CE1-CG 3.84Å; F147-R257 HydrophobicContact CE2-CG 4.04Å; F147-R257 HydrophobicContact CG-CG 3.93Å; F147-R257 HydrophobicContact CZ-CG 3.94Å
148	E	94.1	Very high	95.9	Very high	94 Å²	94	58.6 Å²	58.6	44%	0.439	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-15.5	172.5	-67.5	-163.3	146.6	0	0	113.2	R102 E145 E146	R102-E148 IonicContact CZ-OE1 3Å; R102-E148 IonicContact CZ-OE2 3.84Å; R102-E148 IonicContact NE-OE1 3.57Å; R102-E148 PolarHBondContact NE-OE1 3.42Å; R102-E148 IonicContact NH2-OE1 2.69Å; R102-E148 PolarHBondContact NH2-OE1 3.46Å; R102-E148 IonicContact NH2-OE2 2.79Å; R102-E148 PolarHBondContact NH2-OE2 3.28Å; E145-E148 PolarHBondContact O-N 3.5Å; E146-E148 PolarHBondContact O-N 2.72Å
149	K	96.7	Very high	96	Very high	105 Å²	105	54.6 Å²	54.6	46%	0.457	26%	0.258	S	S	.	.	S	Bend	trans	-80.1	130.8	177.5	-66.8	174	-177.9	176.5	0	110.1	E146 L254 R256	E146-K149 WeakPolarHBondContact O-CB 3.3Å; E146-K149 PolarHBondContact O-N 2.71Å; K149-L254 HydrophobicContact CB-CD1 4.13Å; K149-L254 HydrophobicContact CD-CD1 3.34Å; K149-L254 HydrophobicContact CG-CD1 4.38Å; K149-R256 PolarHBondContact O-NH1 3.04Å
150	R	97.1	Very high	96.1	Very high	124 Å²	124	56.5 Å²	56.5	47%	0.468	27%	0.266	S	S	.	.			trans	-65.8	146.9	174.2	-62.5	-70.9	-61.8	157.4	1.2	110.6	P152 S188 S189	R150-P152 WeakPolarHBondContact O-CD 3.36Å; R150-S188 PolarHBondContact NE-OG 2.64Å; R150-S188 VanDerWaalsContact NE-OG 3.12Å; R150-S188 PolarHBondContact NH2-O 2.76Å; R150-S188 PolarHBondContact NH2-OG 3.21Å; R150-S189 PolarHBondContact NH1-O 3.28Å; R150-S189 VanDerWaalsContact NH1-O 3.1Å; R150-S189 VanDerWaalsContact NH2-N 3.2Å
151	I	97.3	Very high	96.3	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	113.8	174.5	-48.1	178.6	0	0	0	108.5	E155 M156 M159 S188 S189 R256	I151-E155 HydrophobicContact CG2-CB 3.95Å; I151-E155 HydrophobicContact CG2-CG 4.2Å; I151-M156 HydrophobicContact CB-CG 4.29Å; I151-M156 HydrophobicContact CB-SD 4.19Å; I151-M156 HydrophobicContact CD1-SD 4.04Å; I151-M156 HydrophobicContact CG2-CG 3.72Å; I151-M156 HydrophobicContact CG2-SD 3.73Å; I151-M159 HydrophobicContact CG2-CE 3.54Å; I151-S188 CarbonylContact O-C 3.33Å; I151-S188 WeakPolarHBondContact O-CA 3.45Å; I151-S188 WeakPolarHBondContact O-CB 3.43Å; I151-S189 PolarHBondContact N-O 3.45Å; I151-S189 PolarHBondContact O-N 3.01Å; I151-R256 HydrophobicContact CD1-CB 3.82Å; I151-R256 HydrophobicContact CD1-CG 3.85Å; I151-R256 HydrophobicContact CG1-CG 4.16Å
152	P	97.4	Very high	96.4	Very high	66 Å²	66	61.7 Å²	61.7	43%	0.429	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	146.8	174	-23.1	35.3	0	0	0	111.7	R150 A154 E155 M156	R150-P152 WeakPolarHBondContact O-CD 3.36Å; P152-A154 PolarHBondContact O-N 3.3Å; P152-E155 VanDerWaalsContact CD-OE2 3.29Å; P152-E155 WeakPolarHBondContact CD-OE2 3.43Å; P152-E155 WeakPolarHBondContact O-CB 3.37Å; P152-E155 PolarHBondContact O-N 2.96Å; P152-M156 PolarHBondContact O-N 2.85Å; P152-M156 VanDerWaalsContact O-N 3.13Å
153	R	97.5	Very high	96.6	Very high	70 Å²	70	55.7 Å²	55.7	26%	0.264	27%	0.271	S	S	.	.	H	α-helix	trans	-57.9	-36.1	-179.2	-173.1	177.3	-175.9	82	10.9	113.5	E155 M156 E157 Y182 A186 A187	R153-E155 VanDerWaalsContact C-N 3.27Å; R153-E155 PolarHBondContact O-N 3.21Å; R153-M156 WeakPolarHBondContact O-CB 3.34Å; R153-M156 PolarHBondContact O-N 3.34Å; R153-E157 HydrophobicContact CG-CG 4.48Å; R153-E157 IonicContact NE-OE1 2.67Å; R153-E157 PolarHBondContact NE-OE1 2.94Å; R153-E157 WeakPolarHBondContact O-CG 3.35Å; R153-E157 PolarHBondContact O-N 3.48Å; R153-Y182 HydrophobicContact CG-CD2 4.4Å; R153-Y182 HydrophobicContact CG-CE2 4.07Å; R153-Y182 PolarHBondContact NH1-O 3.21Å; R153-A186 PolarHBondContact NH1-O 3.15Å; R153-A186 VanDerWaalsContact NH1-O 3.1Å; R153-A187 VanDerWaalsContact CB-O 3.3Å; R153-A187 WeakPolarHBondContact CB-O 3.36Å; R153-A187 PolarHBondContact N-O 3.43Å
154	A	96.3	Very high	96.8	Very high	63 Å²	63	57.8 Å²	57.8	52%	0.521	28%	0.283	S	S	.	.	H	α-helix	trans	-62.2	-35.6	176.7	0	0	0	0	0	112.4	P152 E157 K158	P152-A154 PolarHBondContact O-N 3.3Å; A154-E157 PolarHBondContact O-N 3.4Å; A154-K158 PolarHBondContact O-N 2.85Å; A154-K158 VanDerWaalsContact O-N 3.13Å
155	E	95.8	Very high	97	Very high	23 Å²	23	61.8 Å²	61.8	11%	0.107	30%	0.301	C	S	.	.	H	α-helix	trans	-69.2	-41.4	174.6	-161.6	-167.5	131	0	0	110.6	I151 P152 R153 E157 K158 M159 L242 R256	I151-E155 HydrophobicContact CG2-CB 3.95Å; I151-E155 HydrophobicContact CG2-CG 4.2Å; P152-E155 VanDerWaalsContact CD-OE2 3.29Å; P152-E155 WeakPolarHBondContact CD-OE2 3.43Å; P152-E155 WeakPolarHBondContact O-CB 3.37Å; P152-E155 PolarHBondContact O-N 2.96Å; R153-E155 VanDerWaalsContact C-N 3.27Å; R153-E155 PolarHBondContact O-N 3.21Å; E155-E157 VanDerWaalsContact C-N 3.3Å; E155-E157 PolarHBondContact O-N 3.24Å; E155-K158 WeakPolarHBondContact O-CB 3.49Å; E155-K158 PolarHBondContact O-N 3.16Å; E155-M159 HydrophobicContact CB-CE 4.2Å; E155-M159 HydrophobicContact CG-CE 3.54Å; E155-M159 WeakPolarHBondContact O-CG 3.38Å; E155-M159 PolarHBondContact O-N 2.77Å; E155-M159 WeakPolarHBondContact OE1-CE 3.45Å; E155-L242 HydrophobicContact CG-CD1 3.75Å; E155-R256 IonicContact OE1-CZ 3.98Å; E155-R256 IonicContact OE1-NE 3.48Å; E155-R256 PolarHBondContact OE1-NE 2.95Å; E155-R256 IonicContact OE1-NH2 3.03Å; E155-R256 PolarHBondContact OE1-NH2 2.92Å; E155-R256 IonicContact OE2-CZ 3Å; E155-R256 IonicContact OE2-NE 4Å; E155-R256 IonicContact OE2-NH2 3.29Å; E155-R256 PolarHBondContact OE2-NH2 2.94Å
156	M	98.1	Very high	97.2	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.01	27%	0.274	C	S	.	.	H	α-helix	trans	-59.8	-38.4	172.8	-69.6	-67.6	-67.7	0	0	112.6	I151 P152 R153 M159 E160 I178 Y182 I192	I151-M156 HydrophobicContact CB-CG 4.29Å; I151-M156 HydrophobicContact CB-SD 4.19Å; I151-M156 HydrophobicContact CD1-SD 4.04Å; I151-M156 HydrophobicContact CG2-CG 3.72Å; I151-M156 HydrophobicContact CG2-SD 3.73Å; P152-M156 PolarHBondContact O-N 2.85Å; P152-M156 VanDerWaalsContact O-N 3.13Å; R153-M156 WeakPolarHBondContact O-CB 3.34Å; R153-M156 PolarHBondContact O-N 3.34Å; M156-M159 PolarHBondContact O-N 3.39Å; M156-M159 HydrophobicContact SD-CE 4.48Å; M156-E160 WeakPolarHBondContact O-CB 3.39Å; M156-E160 PolarHBondContact O-N 3Å; M156-I178 HydrophobicContact CE-CG2 4.07Å; M156-Y182 HydrophobicContact CB-CD2 3.6Å; M156-Y182 HydrophobicContact CB-CE2 3.74Å; M156-Y182 HydrophobicContact CB-CG 4.48Å; M156-Y182 HydrophobicContact CE-CD2 4.25Å; M156-Y182 HydrophobicContact CE-CG 4.06Å; M156-Y182 HydrophobicContact CG-CD2 4.17Å; M156-I192 HydrophobicContact CE-CB 3.84Å; M156-I192 HydrophobicContact CE-CD1 4.14Å; M156-I192 HydrophobicContact CE-CG1 3.89Å; M156-I192 HydrophobicContact SD-CB 4.19Å
157	E	97.7	Very high	97.3	Very high	85 Å²	85	54.2 Å²	54.2	40%	0.397	27%	0.266	S	S	.	.	H	α-helix	trans	-65.5	-41.5	176.9	-74.4	164.8	-178	0	0	111.1	R153 A154 E155 E160 V161 Y182	R153-E157 HydrophobicContact CG-CG 4.48Å; R153-E157 IonicContact NE-OE1 2.67Å; R153-E157 PolarHBondContact NE-OE1 2.94Å; R153-E157 WeakPolarHBondContact O-CG 3.35Å; R153-E157 PolarHBondContact O-N 3.48Å; A154-E157 PolarHBondContact O-N 3.4Å; E155-E157 VanDerWaalsContact C-N 3.3Å; E155-E157 PolarHBondContact O-N 3.24Å; E157-E160 PolarHBondContact O-N 3.44Å; E157-V161 WeakPolarHBondContact O-CG2 3.4Å; E157-V161 PolarHBondContact O-N 3.27Å; E157-V161 VanDerWaalsContact O-N 3.1Å; E157-Y182 HydrophobicContact CG-CE2 4.1Å; E157-Y182 WeakPolarHBondContact CG-OH 3.49Å
158	K	96.6	Very high	97.3	Very high	104 Å²	104	58.9 Å²	58.9	45%	0.452	29%	0.286	S	S	.	.	H	α-helix	trans	-59.4	-47.3	171.7	-71.2	-175.1	176.1	-169.9	0	111.4	A154 E155 V161 L162 L242 D248	A154-K158 PolarHBondContact O-N 2.85Å; A154-K158 VanDerWaalsContact O-N 3.13Å; E155-K158 WeakPolarHBondContact O-CB 3.49Å; E155-K158 PolarHBondContact O-N 3.16Å; K158-V161 PolarHBondContact O-N 3.45Å; K158-L162 PolarHBondContact O-N 3.21Å; K158-L162 VanDerWaalsContact O-N 3.16Å; K158-L242 HydrophobicContact CB-CD1 3.83Å; K158-L242 HydrophobicContact CB-CD2 4.48Å; K158-L242 HydrophobicContact CD-CD1 4.2Å; K158-D248 IonicContact NZ-OD1 3.96Å; K158-D248 PolarHBondContact NZ-OD1 3.47Å
159	M	97.8	Very high	97.5	Very high	1 Å²	1	61 Å²	61	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-62.3	-43.1	177.3	-68.1	179.2	-128.9	0	0	112.3	I151 E155 M156 V161 L162 I163 I192 F224 L242 R256	I151-M159 HydrophobicContact CG2-CE 3.54Å; E155-M159 HydrophobicContact CB-CE 4.2Å; E155-M159 HydrophobicContact CG-CE 3.54Å; E155-M159 WeakPolarHBondContact O-CG 3.38Å; E155-M159 PolarHBondContact O-N 2.77Å; E155-M159 WeakPolarHBondContact OE1-CE 3.45Å; M156-M159 PolarHBondContact O-N 3.39Å; M156-M159 HydrophobicContact SD-CE 4.48Å; M159-V161 PolarHBondContact O-N 3.12Å; M159-L162 PolarHBondContact O-N 3.07Å; M159-I163 HydrophobicContact CB-CD1 4.3Å; M159-I163 WeakPolarHBondContact O-CB 3.34Å; M159-I163 VanDerWaalsContact O-CD1 3.29Å; M159-I163 WeakPolarHBondContact O-CD1 3.39Å; M159-I163 VanDerWaalsContact O-CG1 3.22Å; M159-I163 WeakPolarHBondContact O-CG1 3.49Å; M159-I163 PolarHBondContact O-N 3.26Å; M159-I192 HydrophobicContact CB-CD1 3.84Å; M159-I192 HydrophobicContact SD-CD1 4.18Å; M159-F224 HydrophobicContact CB-CZ 4.31Å; M159-F224 HydrophobicContact CG-CE2 4.15Å; M159-F224 HydrophobicContact CG-CZ 4.13Å; M159-F224 HydrophobicContact SD-CZ 4.47Å; M159-L242 HydrophobicContact CE-CD1 4.45Å; M159-L242 HydrophobicContact CG-CD1 4Å; M159-L242 HydrophobicContact CG-CD2 3.77Å; M159-L242 HydrophobicContact CG-CG 3.79Å; M159-R256 HydrophobicContact CE-CG 4.05Å
160	E	98.1	Very high	97.5	Very high	48 Å²	48	58.4 Å²	58.4	22%	0.224	29%	0.285	C	S	.	.	H	α-helix	trans	-58.1	-47.2	177.9	176.7	170	-126.5	0	0	111.4	M156 E157 I163 L164 I178 Y182	M156-E160 WeakPolarHBondContact O-CB 3.39Å; M156-E160 PolarHBondContact O-N 3Å; E157-E160 PolarHBondContact O-N 3.44Å; E160-I163 PolarHBondContact O-N 3.38Å; E160-L164 HydrophobicContact CG-CD1 3.75Å; E160-L164 HydrophobicContact CG-CG 4.23Å; E160-L164 WeakPolarHBondContact O-CB 3.24Å; E160-L164 VanDerWaalsContact O-CG 3.23Å; E160-L164 WeakPolarHBondContact O-CG 3.43Å; E160-L164 PolarHBondContact O-N 3.43Å; E160-I178 HydrophobicContact CB-CG1 3.94Å; E160-I178 HydrophobicContact CG-CG1 3.69Å; E160-Y182 WeakPolarHBondContact OE2-CE1 3.47Å; E160-Y182 PolarHBondContact OE2-OH 3.01Å
161	V	97.9	Very high	97.6	Very high	83 Å²	83	54.8 Å²	54.8	50%	0.503	28%	0.275	S	S	.	.	H	α-helix	trans	-58.3	-52.9	177.8	171.4	0	0	0	0	110.6	E157 K158 M159 I163 L164 E165	E157-V161 WeakPolarHBondContact O-CG2 3.4Å; E157-V161 PolarHBondContact O-N 3.27Å; E157-V161 VanDerWaalsContact O-N 3.1Å; K158-V161 PolarHBondContact O-N 3.45Å; M159-V161 PolarHBondContact O-N 3.12Å; V161-I163 PolarHBondContact O-N 2.87Å; V161-L164 PolarHBondContact O-N 3.41Å; V161-E165 WeakPolarHBondContact O-CB 3.44Å; V161-E165 WeakPolarHBondContact O-CG 3.43Å; V161-E165 PolarHBondContact O-N 2.91Å
162	L	97.5	Very high	97.6	Very high	46 Å²	46	59.9 Å²	59.9	24%	0.241	31%	0.308	C	S	.	.	H	α-helix	trans	-54.8	-54.7	178.4	176.9	68.1	0	0	0	111	K158 M159 L164 E165 E166 F224 L242	K158-L162 PolarHBondContact O-N 3.21Å; K158-L162 VanDerWaalsContact O-N 3.16Å; M159-L162 PolarHBondContact O-N 3.07Å; L162-L164 PolarHBondContact O-N 3.35Å; L162-E165 PolarHBondContact O-N 3.16Å; L162-E166 HydrophobicContact CD1-CG 4.03Å; L162-E166 HydrophobicContact CG-CG 4.38Å; L162-E166 VanDerWaalsContact O-CG 3.29Å; L162-E166 WeakPolarHBondContact O-CG 3.49Å; L162-E166 PolarHBondContact O-N 3.4Å; L162-F224 HydrophobicContact CD2-CB 4.28Å; L162-F224 HydrophobicContact CD2-CD2 3.38Å; L162-F224 HydrophobicContact CD2-CE2 3.8Å; L162-F224 HydrophobicContact CD2-CG 3.83Å; L162-L242 HydrophobicContact CD2-CD2 4.21Å
163	I	98	Very high	97.6	Very high	3 Å²	3	61.6 Å²	61.6	2%	0.015	31%	0.31	C	S	.	.	H	α-helix	trans	-57	-48.3	-177.4	-72.5	158.8	0	0	0	111.1	M159 E160 V161 E165 E166 L167 I178 I192 I194 F224	M159-I163 HydrophobicContact CB-CD1 4.3Å; M159-I163 WeakPolarHBondContact O-CB 3.34Å; M159-I163 VanDerWaalsContact O-CD1 3.29Å; M159-I163 WeakPolarHBondContact O-CD1 3.39Å; M159-I163 VanDerWaalsContact O-CG1 3.22Å; M159-I163 WeakPolarHBondContact O-CG1 3.49Å; M159-I163 PolarHBondContact O-N 3.26Å; E160-I163 PolarHBondContact O-N 3.38Å; V161-I163 PolarHBondContact O-N 2.87Å; I163-E165 VanDerWaalsContact C-N 3.32Å; I163-E165 PolarHBondContact O-N 3.32Å; I163-E166 PolarHBondContact O-N 3.5Å; I163-L167 HydrophobicContact CG2-CD1 4.06Å; I163-L167 HydrophobicContact CG2-CG 4.38Å; I163-L167 WeakPolarHBondContact O-CB 3.22Å; I163-L167 VanDerWaalsContact O-CG 3.27Å; I163-L167 WeakPolarHBondContact O-CG 3.35Å; I163-L167 PolarHBondContact O-N 2.7Å; I163-I178 HydrophobicContact CD1-CD1 4.31Å; I163-I178 HydrophobicContact CG2-CD1 4.45Å; I163-I192 HydrophobicContact CD1-CD1 3.39Å; I163-I192 HydrophobicContact CD1-CG1 4.42Å; I163-I194 HydrophobicContact CD1-CD1 3.53Å; I163-I194 HydrophobicContact CD1-CG1 4.48Å; I163-I194 HydrophobicContact CG1-CD1 4.21Å; I163-I194 HydrophobicContact CG2-CD1 3.97Å; I163-F224 HydrophobicContact CD1-CE1 3.9Å; I163-F224 HydrophobicContact CD1-CZ 4.02Å; I163-F224 HydrophobicContact CG1-CE1 3.79Å; I163-F224 HydrophobicContact CG1-CZ 4.18Å
164	L	97.9	Very high	97.7	Very high	54 Å²	54	59.2 Å²	59.2	28%	0.283	30%	0.301	S	S	.	.	H	α-helix	trans	-68.9	-30.8	-176.8	-66.2	-178.9	0	0	0	112.4	E160 V161 L162 L167 K168	E160-L164 HydrophobicContact CG-CD1 3.75Å; E160-L164 HydrophobicContact CG-CG 4.23Å; E160-L164 WeakPolarHBondContact O-CB 3.24Å; E160-L164 VanDerWaalsContact O-CG 3.23Å; E160-L164 WeakPolarHBondContact O-CG 3.43Å; E160-L164 PolarHBondContact O-N 3.43Å; V161-L164 PolarHBondContact O-N 3.41Å; L162-L164 PolarHBondContact O-N 3.35Å; L164-L167 HydrophobicContact CD2-CD1 4.33Å; L164-K168 WeakPolarHBondContact O-CG 3.18Å; L164-K168 PolarHBondContact O-N 3.31Å
165	E	98	Very high	97.8	Very high	102 Å²	102	59.8 Å²	59.8	48%	0.477	30%	0.295	S	S	.	.	H	α-helix	trans	-70	-44.8	172.5	-73.6	-179.3	173.4	0	0	111.9	V161 L162 I163 K168 K169	V161-E165 WeakPolarHBondContact O-CB 3.44Å; V161-E165 WeakPolarHBondContact O-CG 3.43Å; V161-E165 PolarHBondContact O-N 2.91Å; L162-E165 PolarHBondContact O-N 3.16Å; I163-E165 VanDerWaalsContact C-N 3.32Å; I163-E165 PolarHBondContact O-N 3.32Å; E165-K168 PolarHBondContact O-N 3.36Å; E165-K169 PolarHBondContact O-N 2.92Å
166	E	98.2	Very high	97.9	Very high	17 Å²	17	59.3 Å²	59.3	8%	0.079	30%	0.296	C	S	.	.	H	α-helix	trans	-66.5	-38.1	178.8	-64.4	-53.2	137.3	0	0	112.3	L162 I163 K168 K169 I170 H218 L219 I222	L162-E166 HydrophobicContact CD1-CG 4.03Å; L162-E166 HydrophobicContact CG-CG 4.38Å; L162-E166 VanDerWaalsContact O-CG 3.29Å; L162-E166 WeakPolarHBondContact O-CG 3.49Å; L162-E166 PolarHBondContact O-N 3.4Å; I163-E166 PolarHBondContact O-N 3.5Å; E166-K168 VanDerWaalsContact C-N 3.29Å; E166-K168 PolarHBondContact O-N 3.5Å; E166-K169 WeakPolarHBondContact O-CB 3.31Å; E166-K169 PolarHBondContact O-N 3.12Å; E166-K169 VanDerWaalsContact O-N 3.1Å; E166-K169 IonicContact OE1-NZ 3.2Å; E166-K169 PolarHBondContact OE1-NZ 3.09Å; E166-K169 WeakPolarHBondContact OE2-CD 3.42Å; E166-K169 IonicContact OE2-NZ 3.03Å; E166-I170 WeakPolarHBondContact O-CG1 3.19Å; E166-I170 PolarHBondContact O-N 2.61Å; E166-I170 VanDerWaalsContact O-N 3.17Å; E166-H218 IonicContact OE2-CD2 3.68Å; E166-H218 IonicContact OE2-CE1 3.48Å; E166-H218 IonicContact OE2-NE2 3.76Å; E166-H218 PolarHBondContact OE2-NE2 2.95Å; E166-L219 HydrophobicContact CB-CD2 4.15Å; E166-L219 HydrophobicContact CG-CD2 4.49Å; E166-I222 HydrophobicContact CG-CD1 3.6Å
167	L	98.3	Very high	98	Very high	7 Å²	7	60.3 Å²	60.3	4%	0.037	30%	0.302	C	S	.	.	H	α-helix	trans	-56.8	-42.6	173.9	-75.3	177.1	0	0	0	112.1	I163 L164 K169 I170 D171 Y174 L196 V215	I163-L167 HydrophobicContact CG2-CD1 4.06Å; I163-L167 HydrophobicContact CG2-CG 4.38Å; I163-L167 WeakPolarHBondContact O-CB 3.22Å; I163-L167 VanDerWaalsContact O-CG 3.27Å; I163-L167 WeakPolarHBondContact O-CG 3.35Å; I163-L167 PolarHBondContact O-N 2.7Å; L164-L167 HydrophobicContact CD2-CD1 4.33Å; L167-K169 VanDerWaalsContact C-N 3.29Å; L167-K169 PolarHBondContact O-N 2.92Å; L167-I170 HydrophobicContact CD2-CD1 4.5Å; L167-I170 PolarHBondContact O-N 2.84Å; L167-D171 PolarHBondContact O-N 3.22Å; L167-Y174 HydrophobicContact CD2-CG 4.45Å; L167-L196 HydrophobicContact CD1-CD1 3.96Å; L167-L196 HydrophobicContact CD2-CD1 3.79Å; L167-V215 HydrophobicContact CD2-CB 4.36Å; L167-V215 HydrophobicContact CD2-CG1 3.65Å; L167-V215 HydrophobicContact CD2-CG2 3.7Å
168	K	97.4	Very high	98	Very high	140 Å²	140	56.5 Å²	56.5	61%	0.609	29%	0.285	S	S	*	.	H	α-helix	trans	-65.9	-30.2	178.1	-69.6	171.2	-173.7	172.9	0	113	L164 E165 E166	L164-K168 WeakPolarHBondContact O-CG 3.18Å; L164-K168 PolarHBondContact O-N 3.31Å; E165-K168 PolarHBondContact O-N 3.36Å; E166-K168 VanDerWaalsContact C-N 3.29Å; E166-K168 PolarHBondContact O-N 3.5Å
169	K	97.7	Very high	98.1	Very high	139 Å²	139	51.6 Å²	51.6	60%	0.604	26%	0.263	S	S	*	.	H	α-helix	trans	-72.5	-33.3	177	-66.3	172.8	-170.4	170.5	0	111.8	E165 E166 L167	E165-K169 PolarHBondContact O-N 2.92Å; E166-K169 WeakPolarHBondContact O-CB 3.31Å; E166-K169 PolarHBondContact O-N 3.12Å; E166-K169 VanDerWaalsContact O-N 3.1Å; E166-K169 IonicContact OE1-NZ 3.2Å; E166-K169 PolarHBondContact OE1-NZ 3.09Å; E166-K169 WeakPolarHBondContact OE2-CD 3.42Å; E166-K169 IonicContact OE2-NZ 3.03Å; L167-K169 VanDerWaalsContact C-N 3.29Å; L167-K169 PolarHBondContact O-N 2.92Å
170	I	97.9	Very high	98.1	Very high	50 Å²	50	51.7 Å²	51.7	26%	0.256	27%	0.265	S	S	.	.	H	α-helix	trans	-71.9	-56	176.4	-58.7	159.9	0	0	0	109.9	E166 L167 Y174 A214 V215 H218	E166-I170 WeakPolarHBondContact O-CG1 3.19Å; E166-I170 PolarHBondContact O-N 2.61Å; E166-I170 VanDerWaalsContact O-N 3.17Å; L167-I170 HydrophobicContact CD2-CD1 4.5Å; L167-I170 PolarHBondContact O-N 2.84Å; I170-Y174 HydrophobicContact CB-CD2 4.48Å; I170-Y174 HydrophobicContact CB-CE2 4.37Å; I170-Y174 HydrophobicContact CG2-CD2 4.36Å; I170-Y174 HydrophobicContact CG2-CE2 3.77Å; I170-A214 HydrophobicContact CG2-CB 4.49Å; I170-V215 HydrophobicContact CD1-CB 4.36Å; I170-V215 HydrophobicContact CD1-CG2 4.04Å; I170-H218 HydrophobicContact CD1-CB 3.66Å; I170-H218 HydrophobicContact CG1-CB 3.86Å
171	D	98.1	Very high	98.2	Very high	48 Å²	48	50.2 Å²	50.2	26%	0.257	26%	0.259	S	S	.	.			trans	-158.6	122.7	175.2	-167	-37.5	0	0	0	109.4	L167 E173 Y174 H198	L167-D171 PolarHBondContact O-N 3.22Å; D171-E173 PolarHBondContact O-N 2.87Å; D171-E173 VanDerWaalsContact O-N 3.08Å; D171-E173 WeakPolarHBondContact OD1-CB 3.4Å; D171-E173 PolarHBondContact OD1-N 3.42Å; D171-Y174 HydrophobicContact CB-CD2 3.54Å; D171-Y174 HydrophobicContact CB-CE2 3.61Å; D171-Y174 WeakPolarHBondContact O-CD2 3.46Å; D171-Y174 PolarHBondContact O-N 2.85Å; D171-Y174 VanDerWaalsContact O-N 3.11Å; D171-H198 IonicContact OD2-NE2 2.76Å; D171-H198 PolarHBondContact OD2-NE2 3.37Å
172	P	97.7	Very high	98.2	Very high	107 Å²	107	47 Å²	47	70%	0.695	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-13.6	178.6	27.8	-36.7	0	0	0	114.1	Y174	P172-Y174 VanDerWaalsContact C-N 3.34Å
173	E	98.3	Very high	98.3	Very high	101 Å²	101	48.1 Å²	48.1	47%	0.472	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-11.1	175.9	-61.3	-159.9	100.5	0	0	114	D171 P199	D171-E173 PolarHBondContact O-N 2.87Å; D171-E173 VanDerWaalsContact O-N 3.08Å; D171-E173 WeakPolarHBondContact OD1-CB 3.4Å; D171-E173 PolarHBondContact OD1-N 3.42Å; E173-P199 HydrophobicContact CB-CG 3.78Å; E173-P199 HydrophobicContact CG-CG 4.28Å; E173-P199 WeakPolarHBondContact O-CD 3.45Å; E173-P199 WeakPolarHBondContact OE1-CG 3.21Å
174	Y	98.6	Very high	98.3	Very high	21 Å²	21	49.9 Å²	49.9	8%	0.082	25%	0.246	C	C	.	.			trans	-64.6	137.3	171	-80.4	-65.6	0	0	0	111.4	L167 I170 D171 P172 L196 H198 L211 V215	L167-Y174 HydrophobicContact CD2-CG 4.45Å; I170-Y174 HydrophobicContact CB-CD2 4.48Å; I170-Y174 HydrophobicContact CB-CE2 4.37Å; I170-Y174 HydrophobicContact CG2-CD2 4.36Å; I170-Y174 HydrophobicContact CG2-CE2 3.77Å; D171-Y174 HydrophobicContact CB-CD2 3.54Å; D171-Y174 HydrophobicContact CB-CE2 3.61Å; D171-Y174 WeakPolarHBondContact O-CD2 3.46Å; D171-Y174 PolarHBondContact O-N 2.85Å; D171-Y174 VanDerWaalsContact O-N 3.11Å; P172-Y174 VanDerWaalsContact C-N 3.34Å; Y174-L196 HydrophobicContact CD1-CD1 3.71Å; Y174-L196 HydrophobicContact CD1-CD2 4.1Å; Y174-L196 HydrophobicContact CD1-CG 3.97Å; Y174-L196 HydrophobicContact CE1-CD1 4.45Å; Y174-L196 HydrophobicContact CE1-CD2 4Å; Y174-L196 HydrophobicContact CE1-CG 4.32Å; Y174-L196 HydrophobicContact CG-CD1 4.31Å; Y174-H198 HydrophobicContact CD1-CB 3.98Å; Y174-H198 AromaticContact CD1-CD2 3.64Å; Y174-H198 HydrophobicContact CE1-CB 3.87Å; Y174-H198 AromaticContact CE1-CD2 3.55Å; Y174-H198 AromaticContact CE1-CG 3.98Å; Y174-H198 AromaticContact CG-CD2 3.92Å; Y174-H198 AromaticContact CZ-CD2 3.73Å; Y174-L211 HydrophobicContact CE1-CB 4.3Å; Y174-L211 VanDerWaalsContact OH-CA 3.25Å; Y174-L211 WeakPolarHBondContact OH-CA 3.49Å; Y174-L211 WeakPolarHBondContact OH-CB 3.23Å; Y174-L211 VanDerWaalsContact OH-CD2 3.31Å; Y174-L211 WeakPolarHBondContact OH-CD2 3.39Å; Y174-L211 PolarHBondContact OH-O 3.39Å; Y174-V215 HydrophobicContact CD1-CG2 4.47Å; Y174-V215 HydrophobicContact CD2-CG2 4.46Å; Y174-V215 HydrophobicContact CE1-CG2 4.05Å; Y174-V215 HydrophobicContact CE2-CG2 4.08Å
175	I	98.5	Very high	98.3	Very high	75 Å²	75	49.7 Å²	49.7	39%	0.385	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	111.2	166.9	-54.8	178.5	0	0	0	108	T197 K265	I175-T197 PolarHBondContact N-O 3.42Å; I175-T197 PolarHBondContact O-N 3.5Å; I175-K265 VanDerWaalsContact CD1-NZ 3.28Å
176	G	98.4	Very high	98.2	Very high	13 Å²	13	46 Å²	46	13%	0.134	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	139.9	167.8	0	0	0	0	0	111.1	L195	G176-L195 CarbonylContact C-O 3.59Å; G176-L195 WeakPolarHBondContact CA-O 2.99Å
177	T	98.8	Very high	98.2	Very high	23 Å²	23	49.4 Å²	49.4	14%	0.141	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	118.5	171	-57.7	0	0	0	0	108.7	C179 L195 Y268 V272	T177-C179 PolarHBondContact O-N 2.74Å; T177-L195 PolarHBondContact N-O 3.45Å; T177-L195 PolarHBondContact O-N 3.49Å; T177-Y268 PolarHBondContact OG1-OH 2.99Å; T177-V272 HydrophobicContact CG2-CG2 4.27Å
178	I	98.6	Very high	98.1	Very high	5 Å²	5	50.8 Å²	50.8	3%	0.026	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	121.3	173	-47.8	-55.4	0	0	0	108.4	M156 E160 I163 Y182 I192 D193 I194	M156-I178 HydrophobicContact CE-CG2 4.07Å; E160-I178 HydrophobicContact CB-CG1 3.94Å; E160-I178 HydrophobicContact CG-CG1 3.69Å; I163-I178 HydrophobicContact CD1-CD1 4.31Å; I163-I178 HydrophobicContact CG2-CD1 4.45Å; I178-Y182 HydrophobicContact CB-CD1 3.74Å; I178-Y182 HydrophobicContact CB-CE1 4.05Å; I178-Y182 HydrophobicContact CG2-CD1 3.43Å; I178-Y182 VanDerWaalsContact CG2-CD1 3.43Å; I178-Y182 HydrophobicContact CG2-CE1 4.09Å; I178-Y182 HydrophobicContact CG2-CG 3.98Å; I178-I192 HydrophobicContact CD1-CD1 4.16Å; I178-I192 HydrophobicContact CD1-CG1 4.4Å; I178-I192 HydrophobicContact CG2-CD1 4.42Å; I178-I192 HydrophobicContact CG2-CG1 4.15Å; I178-D193 CarbonylContact C-O 3.58Å; I178-D193 WeakPolarHBondContact CA-O 3.39Å; I178-I194 HydrophobicContact CD1-CB 4.45Å; I178-I194 HydrophobicContact CD1-CD1 4.36Å; I178-I194 HydrophobicContact CD1-CG1 3.83Å; I178-I194 HydrophobicContact CD1-CG2 4.25Å
179	C	98.8	Very high	98.2	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.007	26%	0.256	C	S	.	.			trans	-109.5	-143.2	-169.8	-79.1	0	0	0	0	110.9	T177 Y182 R183 D193 F275	T177-C179 PolarHBondContact O-N 2.74Å; C179-Y182 PolarHBondContact O-N 3.38Å; C179-R183 PolarHBondContact O-N 2.88Å; C179-R183 VanDerWaalsContact O-N 3.12Å; C179-D193 HydrophobicContact CB-CB 4.14Å; C179-D193 PolarHBondContact N-O 2.91Å; C179-F275 HydrophobicContact CB-CB 3.9Å; C179-F275 HydrophobicContact CB-CD2 3.99Å; C179-F275 HydrophobicContact CB-CG 4Å; C179-F275 WeakPolarHBondContact CB-O 3.42Å
180	G	98.5	Very high	98.1	Very high	3 Å²	3	39 Å²	39	3%	0.031	24%	0.242	C	C	.	.	H	α-helix	trans	59.9	-150.4	173.3	0	0	0	0	0	114	Y182 R183 R184 D193 F275	G180-Y182 PolarHBondContact O-N 2.97Å; G180-R183 PolarHBondContact O-N 3.38Å; G180-R184 VanDerWaalsContact C-NH1 3.26Å; G180-R184 WeakPolarHBondContact O-CG 3.29Å; G180-R184 PolarHBondContact O-N 2.89Å; G180-R184 PolarHBondContact O-NH1 3.12Å; G180-D193 WeakPolarHBondContact CA-OD2 3.35Å; G180-F275 WeakPolarHBondContact CA-O 3.34Å; G180-F275 PolarHBondContact N-O 3.14Å
181	S	98.3	Very high	98.1	Very high	16 Å²	16	39 Å²	39	11%	0.112	24%	0.243	C	C	.	.	H	α-helix	trans	-63.1	-27.1	178	59.7	0	0	0	0	113.6	R184 G185 A186 S189	S181-R184 CarbonylContact O-C 3.04Å; S181-R184 PolarHBondContact O-N 2.92Å; S181-G185 PolarHBondContact O-N 2.8Å; S181-A186 WeakPolarHBondContact O-CB 3.29Å; S181-A186 PolarHBondContact O-N 3.49Å; S181-A186 VanDerWaalsContact O-N 3.09Å; S181-S189 WeakPolarHBondContact OG-CA 3.26Å; S181-S189 WeakPolarHBondContact OG-CB 3.37Å; S181-S189 PolarHBondContact OG-OG 3.35Å
182	Y	98.7	Very high	98.1	Very high	17 Å²	17	36.7 Å²	36.7	7%	0.067	23%	0.23	C	C	.	.	H	α-helix	trans	-62.9	-49	177.4	179.1	-103.8	0	0	0	112.2	R153 M156 E157 E160 I178 C179 G180 R184 G185	R153-Y182 HydrophobicContact CG-CD2 4.4Å; R153-Y182 HydrophobicContact CG-CE2 4.07Å; R153-Y182 PolarHBondContact NH1-O 3.21Å; M156-Y182 HydrophobicContact CB-CD2 3.6Å; M156-Y182 HydrophobicContact CB-CE2 3.74Å; M156-Y182 HydrophobicContact CB-CG 4.48Å; M156-Y182 HydrophobicContact CE-CD2 4.25Å; M156-Y182 HydrophobicContact CE-CG 4.06Å; M156-Y182 HydrophobicContact CG-CD2 4.17Å; E157-Y182 HydrophobicContact CG-CE2 4.1Å; E157-Y182 WeakPolarHBondContact CG-OH 3.49Å; E160-Y182 WeakPolarHBondContact OE2-CE1 3.47Å; E160-Y182 PolarHBondContact OE2-OH 3.01Å; I178-Y182 HydrophobicContact CB-CD1 3.74Å; I178-Y182 HydrophobicContact CB-CE1 4.05Å; I178-Y182 HydrophobicContact CG2-CD1 3.43Å; I178-Y182 VanDerWaalsContact CG2-CD1 3.43Å; I178-Y182 HydrophobicContact CG2-CE1 4.09Å; I178-Y182 HydrophobicContact CG2-CG 3.98Å; C179-Y182 PolarHBondContact O-N 3.38Å; G180-Y182 PolarHBondContact O-N 2.97Å; Y182-R184 PolarHBondContact O-N 3.49Å; Y182-G185 PolarHBondContact O-N 3.43Å
183	R	98.8	Very high	98.2	Very high	68 Å²	68	32.5 Å²	32.5	26%	0.257	20%	0.202	S	C	.	.	H	α-helix	trans	-65.6	-24.8	176.6	-169.1	167.2	-174.5	-90.3	-2.1	113.3	C179 G180 G185 T276 E319 P333	C179-R183 PolarHBondContact O-N 2.88Å; C179-R183 VanDerWaalsContact O-N 3.12Å; G180-R183 PolarHBondContact O-N 3.38Å; R183-G185 PolarHBondContact O-N 2.78Å; R183-T276 HydrophobicContact CB-CG2 4.46Å; R183-T276 WeakPolarHBondContact CD-OG1 3.33Å; R183-T276 HydrophobicContact CG-CG2 4.33Å; R183-T276 PolarHBondContact NH1-OG1 3.12Å; R183-E319 IonicContact CZ-OE1 3.54Å; R183-E319 VanDerWaalsContact CZ-OE1 3.26Å; R183-E319 IonicContact NH1-OE1 2.7Å; R183-E319 PolarHBondContact NH1-OE1 2.81Å; R183-E319 IonicContact NH1-OE2 3.32Å; R183-E319 IonicContact NH2-OE1 3.54Å; R183-E319 PolarHBondContact NH2-OE1 3.1Å; R183-P333 HydrophobicContact CG-CB 4.36Å; R183-P333 VanDerWaalsContact O-CB 3.31Å; R183-P333 WeakPolarHBondContact O-CB 3.49Å
184	R	98.6	Very high	98.2	Very high	41 Å²	41	27.8 Å²	27.8	16%	0.155	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	5.5	170.6	-55.4	-166.6	-54.8	-86.5	1.9	113.3	G180 S181 Y182 A186 T276 P333 K334 S337	G180-R184 VanDerWaalsContact C-NH1 3.26Å; G180-R184 WeakPolarHBondContact O-CG 3.29Å; G180-R184 PolarHBondContact O-N 2.89Å; G180-R184 PolarHBondContact O-NH1 3.12Å; S181-R184 CarbonylContact O-C 3.04Å; S181-R184 PolarHBondContact O-N 2.92Å; Y182-R184 PolarHBondContact O-N 3.49Å; R184-A186 PolarHBondContact O-N 3.34Å; R184-T276 WeakPolarHBondContact CD-O 3.47Å; R184-T276 HydrophobicContact CG-CG2 3.84Å; R184-T276 PolarHBondContact NH1-O 3.19Å; R184-P333 WeakPolarHBondContact CB-O 3.27Å; R184-P333 VanDerWaalsContact CG-O 3.27Å; R184-P333 WeakPolarHBondContact CG-O 3.29Å; R184-K334 VanDerWaalsContact O-CA 3.26Å; R184-K334 WeakPolarHBondContact O-CA 3.49Å; R184-S337 PolarHBondContact NE-OG 3.15Å
185	G	97.9	Very high	98.2	Very high	49 Å²	49	26.9 Å²	26.9	51%	0.505	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.7	22.2	176.1	0	0	0	0	0	114.2	S181 Y182 R183	S181-G185 PolarHBondContact O-N 2.8Å; Y182-G185 PolarHBondContact O-N 3.43Å; R183-G185 PolarHBondContact O-N 2.78Å
186	A	96.9	Very high	98.2	Very high	26 Å²	26	23.3 Å²	23.3	22%	0.215	16%	0.158	C	C	.	.			trans	-63.8	143.8	176.9	0	0	0	0	0	111.3	R153 S181 R184 S188	R153-A186 PolarHBondContact NH1-O 3.15Å; R153-A186 VanDerWaalsContact NH1-O 3.1Å; S181-A186 WeakPolarHBondContact O-CB 3.29Å; S181-A186 PolarHBondContact O-N 3.49Å; S181-A186 VanDerWaalsContact O-N 3.09Å; R184-A186 PolarHBondContact O-N 3.34Å; A186-S188 WeakPolarHBondContact CB-O 3.22Å; A186-S188 PolarHBondContact O-N 2.93Å
187	A	97.3	Very high	98.2	Very high	87 Å²	87	22.8 Å²	22.8	72%	0.719	15%	0.153	S	C	*	.	S	Bend	trans	-72.9	-15.6	177.5	0	0	0	0	0	113.2	R153	R153-A187 VanDerWaalsContact CB-O 3.3Å; R153-A187 WeakPolarHBondContact CB-O 3.36Å; R153-A187 PolarHBondContact N-O 3.43Å
188	S	97.4	Very high	98.2	Very high	36 Å²	36	21.7 Å²	21.7	25%	0.252	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	164.9	167.8	55.9	0	0	0	0	109.4	R150 I151 A186	R150-S188 PolarHBondContact NE-OG 2.64Å; R150-S188 VanDerWaalsContact NE-OG 3.12Å; R150-S188 PolarHBondContact NH2-O 2.76Å; R150-S188 PolarHBondContact NH2-OG 3.21Å; I151-S188 CarbonylContact O-C 3.33Å; I151-S188 WeakPolarHBondContact O-CA 3.45Å; I151-S188 WeakPolarHBondContact O-CB 3.43Å; A186-S188 WeakPolarHBondContact CB-O 3.22Å; A186-S188 PolarHBondContact O-N 2.93Å
189	S	98.2	Very high	98.2	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.007	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	164.2	174.6	-61.3	0	0	0	0	111.4	R150 I151 S181 D191	R150-S189 PolarHBondContact NH1-O 3.28Å; R150-S189 VanDerWaalsContact NH1-O 3.1Å; R150-S189 VanDerWaalsContact NH2-N 3.2Å; I151-S189 PolarHBondContact N-O 3.45Å; I151-S189 PolarHBondContact O-N 3.01Å; S181-S189 WeakPolarHBondContact OG-CA 3.26Å; S181-S189 WeakPolarHBondContact OG-CB 3.37Å; S181-S189 PolarHBondContact OG-OG 3.35Å; S189-D191 WeakPolarHBondContact CB-O 3.43Å
190	G	96.3	Very high	98.2	Very high	30 Å²	30	27.9 Å²	27.9	31%	0.309	18%	0.181	S	C	.	.	S	Bend	trans	-91.2	-35	176.1	0	0	0	0	0	111.1
191	D	97.9	Very high	98.2	Very high	50 Å²	50	28.4 Å²	28.4	27%	0.267	18%	0.182	S	C	.	.	S	Bend	trans	-153.4	177.9	-176.4	43.9	13.2	0	0	0	108.7	S189 R257	S189-D191 WeakPolarHBondContact CB-O 3.43Å; D191-R257 WeakPolarHBondContact CA-O 3.34Å; D191-R257 HydrophobicContact CB-CB 3.69Å; D191-R257 VanDerWaalsContact CB-O 3.26Å; D191-R257 WeakPolarHBondContact CB-O 3.44Å
192	I	98.2	Very high	98.2	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	122	172.8	-178	159.3	0	0	0	110.9	M156 M159 I163 I178 I194 R257 I258 D259	M156-I192 HydrophobicContact CE-CB 3.84Å; M156-I192 HydrophobicContact CE-CD1 4.14Å; M156-I192 HydrophobicContact CE-CG1 3.89Å; M156-I192 HydrophobicContact SD-CB 4.19Å; M159-I192 HydrophobicContact CB-CD1 3.84Å; M159-I192 HydrophobicContact SD-CD1 4.18Å; I163-I192 HydrophobicContact CD1-CD1 3.39Å; I163-I192 HydrophobicContact CD1-CG1 4.42Å; I178-I192 HydrophobicContact CD1-CD1 4.16Å; I178-I192 HydrophobicContact CD1-CG1 4.4Å; I178-I192 HydrophobicContact CG2-CD1 4.42Å; I178-I192 HydrophobicContact CG2-CG1 4.15Å; I192-I194 HydrophobicContact CG1-CD1 4.41Å; I192-I194 HydrophobicContact CG1-CG1 4.02Å; I192-R257 WeakPolarHBondContact CG2-O 3.26Å; I192-R257 PolarHBondContact N-O 3.07Å; I192-I258 HydrophobicContact CG2-CB 3.54Å; I192-I258 HydrophobicContact CG2-CD1 4.02Å; I192-I258 HydrophobicContact CG2-CG1 3.73Å; I192-I258 WeakPolarHBondContact O-CA 3.46Å; I192-D259 PolarHBondContact O-N 3.36Å
193	D	98.8	Very high	98.1	Very high	19 Å²	19	31 Å²	31	10%	0.102	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	117.5	179.8	-68.1	-59.7	0	0	0	109.7	I178 C179 G180 F275	I178-D193 CarbonylContact C-O 3.58Å; I178-D193 WeakPolarHBondContact CA-O 3.39Å; C179-D193 HydrophobicContact CB-CB 4.14Å; C179-D193 PolarHBondContact N-O 2.91Å; G180-D193 WeakPolarHBondContact CA-OD2 3.35Å; D193-F275 HydrophobicContact CB-CD1 4.26Å; D193-F275 HydrophobicContact CB-CD2 4.34Å; D193-F275 HydrophobicContact CB-CE1 3.8Å; D193-F275 HydrophobicContact CB-CE2 3.89Å; D193-F275 HydrophobicContact CB-CZ 3.6Å; D193-F275 WeakPolarHBondContact OD1-CE1 3.47Å; D193-F275 WeakPolarHBondContact OD1-CZ 3.14Å
194	I	98.8	Very high	98	Very high	3 Å²	3	36 Å²	36	2%	0.015	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	109	-176.7	-46.9	178.9	0	0	0	109.8	I163 I178 I192 I258 D259 I260 R261	I163-I194 HydrophobicContact CD1-CD1 3.53Å; I163-I194 HydrophobicContact CD1-CG1 4.48Å; I163-I194 HydrophobicContact CG1-CD1 4.21Å; I163-I194 HydrophobicContact CG2-CD1 3.97Å; I178-I194 HydrophobicContact CD1-CB 4.45Å; I178-I194 HydrophobicContact CD1-CD1 4.36Å; I178-I194 HydrophobicContact CD1-CG1 3.83Å; I178-I194 HydrophobicContact CD1-CG2 4.25Å; I192-I194 HydrophobicContact CG1-CD1 4.41Å; I192-I194 HydrophobicContact CG1-CG1 4.02Å; I194-I258 HydrophobicContact CD1-CD1 3.64Å; I194-I258 HydrophobicContact CD1-CG1 4.17Å; I194-D259 PolarHBondContact N-O 2.71Å; I194-I260 HydrophobicContact CB-CG1 4.25Å; I194-I260 HydrophobicContact CB-CG2 4.31Å; I194-I260 HydrophobicContact CD1-CD1 4.36Å; I194-I260 HydrophobicContact CD1-CG1 4.05Å; I194-I260 HydrophobicContact CG1-CG1 4.44Å; I194-I260 WeakPolarHBondContact O-CA 3.48Å; I194-R261 PolarHBondContact O-N 2.96Å
195	L	98.9	Very high	97.8	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	125.9	166.4	-166.9	76.3	0	0	0	108.7	G176 T177 R261 I263 Y268 V272 F275	G176-L195 CarbonylContact C-O 3.59Å; G176-L195 WeakPolarHBondContact CA-O 2.99Å; T177-L195 PolarHBondContact N-O 3.45Å; T177-L195 PolarHBondContact O-N 3.49Å; L195-R261 HydrophobicContact CD1-CB 4.49Å; L195-R261 HydrophobicContact CD1-CG 4.47Å; L195-I263 HydrophobicContact CD1-CB 4.12Å; L195-I263 HydrophobicContact CD1-CG1 3.72Å; L195-Y268 HydrophobicContact CD2-CD2 3.88Å; L195-Y268 HydrophobicContact CD2-CE2 3.8Å; L195-V272 HydrophobicContact CD2-CB 3.74Å; L195-V272 HydrophobicContact CD2-CG2 4.29Å; L195-F275 HydrophobicContact CB-CD2 4.02Å; L195-F275 HydrophobicContact CD1-CB 4.38Å; L195-F275 HydrophobicContact CD1-CD2 4.04Å
196	L	98.8	Very high	97.6	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	137.6	-179.3	-171	69.9	0	0	0	110	L167 Y174 V215 I260 R261 L262 I263	L167-L196 HydrophobicContact CD1-CD1 3.96Å; L167-L196 HydrophobicContact CD2-CD1 3.79Å; Y174-L196 HydrophobicContact CD1-CD1 3.71Å; Y174-L196 HydrophobicContact CD1-CD2 4.1Å; Y174-L196 HydrophobicContact CD1-CG 3.97Å; Y174-L196 HydrophobicContact CE1-CD1 4.45Å; Y174-L196 HydrophobicContact CE1-CD2 4Å; Y174-L196 HydrophobicContact CE1-CG 4.32Å; Y174-L196 HydrophobicContact CG-CD1 4.31Å; L196-V215 HydrophobicContact CD2-CB 4.34Å; L196-V215 HydrophobicContact CD2-CG2 3.83Å; L196-I260 HydrophobicContact CB-CG2 4.25Å; L196-I260 HydrophobicContact CD2-CG2 4.44Å; L196-R261 PolarHBondContact N-O 2.92Å; L196-L262 HydrophobicContact CB-CD1 4.42Å; L196-L262 HydrophobicContact CD2-CD1 4.27Å; L196-L262 HydrophobicContact CG-CD1 4.25Å; L196-L262 WeakPolarHBondContact O-CA 3.28Å; L196-I263 PolarHBondContact O-N 3.44Å
197	T	98.8	Very high	97.3	Very high	3 Å²	3	47 Å²	47	2%	0.018	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	156	170.1	67.4	0	0	0	0	110.9	I175 Y268	I175-T197 PolarHBondContact N-O 3.42Å; I175-T197 PolarHBondContact O-N 3.5Å; T197-Y268 HydrophobicContact CG2-CD2 3.93Å
198	H	98.7	Very high	97.2	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.246	C	C	.	.			trans	-150.3	140.8	177.9	-171.3	-78.7	0	0	0	108.9	D171 Y174 N200 Y201 L211	D171-H198 IonicContact OD2-NE2 2.76Å; D171-H198 PolarHBondContact OD2-NE2 3.37Å; Y174-H198 HydrophobicContact CD1-CB 3.98Å; Y174-H198 AromaticContact CD1-CD2 3.64Å; Y174-H198 HydrophobicContact CE1-CB 3.87Å; Y174-H198 AromaticContact CE1-CD2 3.55Å; Y174-H198 AromaticContact CE1-CG 3.98Å; Y174-H198 AromaticContact CG-CD2 3.92Å; Y174-H198 AromaticContact CZ-CD2 3.73Å; H198-N200 VanDerWaalsContact C-N 3.26Å; H198-N200 PolarHBondContact CE1-ND2 2.92Å; H198-N200 VanDerWaalsContact CE1-ND2 3.32Å; H198-N200 WeakPolarHBondContact ND1-CB 3.37Å; H198-N200 PolarHBondContact ND1-N 2.89Å; H198-N200 VanDerWaalsContact ND1-N 3.13Å; H198-N200 PolarHBondContact O-N 2.98Å; H198-Y201 PolarHBondContact O-N 2.89Å; H198-L211 HydrophobicContact CB-CD1 3.92Å
199	P	98.2	Very high	97	Very high	39 Å²	39	46.2 Å²	46.2	25%	0.253	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-32.6	-176.8	20.4	-31.8	0	0	0	114.5	E173 Y201 K265	E173-P199 HydrophobicContact CB-CG 3.78Å; E173-P199 HydrophobicContact CG-CG 4.28Å; E173-P199 WeakPolarHBondContact O-CD 3.45Å; E173-P199 WeakPolarHBondContact OE1-CG 3.21Å; P199-Y201 PolarHBondContact O-N 3.12Å; P199-Y201 VanDerWaalsContact O-N 3.15Å; P199-K265 HydrophobicContact CB-CD 4.11Å
200	N	97.6	Very high	97	Very high	96 Å²	96	54 Å²	54	51%	0.513	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-6.4	175	-64.3	-19.9	0	0	0	115	H198 L211	H198-N200 VanDerWaalsContact C-N 3.26Å; H198-N200 PolarHBondContact CE1-ND2 2.92Å; H198-N200 VanDerWaalsContact CE1-ND2 3.32Å; H198-N200 WeakPolarHBondContact ND1-CB 3.37Å; H198-N200 PolarHBondContact ND1-N 2.89Å; H198-N200 VanDerWaalsContact ND1-N 3.13Å; H198-N200 PolarHBondContact O-N 2.98Å; N200-L211 HydrophobicContact CB-CD1 4.44Å
201	Y	98.4	Very high	97.1	Very high	14 Å²	14	53.6 Å²	53.6	6%	0.055	27%	0.271	C	S	.	.			trans	-122.4	107.6	175.1	-179.5	-133.4	0	0	0	110.9	H198 P199 Q208 T234 L262 I263 P264 K265	H198-Y201 PolarHBondContact O-N 2.89Å; P199-Y201 PolarHBondContact O-N 3.12Å; P199-Y201 VanDerWaalsContact O-N 3.15Å; Y201-Q208 HydrophobicContact CD2-CG 4.3Å; Y201-T234 HydrophobicContact CE1-CG2 4.27Å; Y201-L262 HydrophobicContact CD1-CD1 3.92Å; Y201-L262 HydrophobicContact CD1-CD2 3.92Å; Y201-L262 HydrophobicContact CD1-CG 3.59Å; Y201-L262 HydrophobicContact CE1-CD2 4.26Å; Y201-L262 HydrophobicContact CE1-CG 3.84Å; Y201-I263 VanDerWaalsContact CE1-C 3.5Å; Y201-P264 HydrophobicContact CD1-CG 4.45Å; Y201-P264 HydrophobicContact CE1-CB 4.47Å; Y201-P264 VanDerWaalsContact CE1-CD 3.46Å; Y201-P264 HydrophobicContact CE1-CG 3.78Å; Y201-P264 VanDerWaalsContact CE1-N 3.32Å; Y201-P264 HydrophobicContact CE2-CG 4.11Å; Y201-P264 WeakPolarHBondContact O-CA 3.49Å; Y201-K265 PolarHBondContact O-N 2.89Å
202	T	98.3	Very high	97.1	Very high	36 Å²	36	51.2 Å²	51.2	22%	0.221	26%	0.258	C	S	.	.			trans	-129	173.7	177.3	69.2	0	0	0	0	110.9	Q204 T205 D266	T202-Q204 PolarHBondContact O-N 3.23Å; T202-Q204 VanDerWaalsContact O-N 3.15Å; T202-Q204 PolarHBondContact OG1-N 2.77Å; T202-T205 PolarHBondContact N-OG1 2.75Å; T202-T205 PolarHBondContact O-N 2.75Å; T202-T205 PolarHBondContact O-OG1 2.84Å; T202-D266 WeakPolarHBondContact CA-OD1 3.23Å; T202-D266 VanDerWaalsContact CB-OD1 3.3Å; T202-D266 WeakPolarHBondContact CB-OD1 3.28Å
203	S	96.9	Very high	97.1	Very high	53 Å²	53	53.9 Å²	53.9	37%	0.371	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-15.4	176.4	69.4	0	0	0	0	113.7	D266	S203-D266 WeakPolarHBondContact CB-OD2 3.44Å; S203-D266 PolarHBondContact N-OD1 3.19Å; S203-D266 PolarHBondContact N-OD2 3.36Å; S203-D266 PolarHBondContact OG-OD2 3.14Å
204	Q	96.7	Very high	97.1	Very high	171 Å²	171	54.9 Å²	54.9	80%	0.799	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	-11	-180	-58.5	-59.6	-35.7	0	0	113.5	T202	T202-Q204 PolarHBondContact O-N 3.23Å; T202-Q204 VanDerWaalsContact O-N 3.15Å; T202-Q204 PolarHBondContact OG1-N 2.77Å
205	T	95.6	Very high	97.1	Very high	57 Å²	57	54.9 Å²	54.9	35%	0.35	28%	0.281	S	S	.	.	S	Bend	trans	-101	153	179.3	55.8	0	0	0	0	110.9	T202	T202-T205 PolarHBondContact N-OG1 2.75Å; T202-T205 PolarHBondContact O-N 2.75Å; T202-T205 PolarHBondContact O-OG1 2.84Å
206	E	93.9	Very high	97.1	Very high	169 Å²	169	54.9 Å²	54.9	79%	0.79	28%	0.281	S	S	*	.	P	Polyproline II helix	trans	-59.8	157.9	167.6	-65.8	-171.5	172.9	0	0	111.4	Q208	E206-Q208 PolarHBondContact O-N 3.34Å; E206-Q208 PolarHBondContact O-NE2 3.4Å
207	K	90.7	Very high	97.1	Very high	123 Å²	123	58.8 Å²	58.8	54%	0.535	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-56.3	135.7	175.9	-68.8	-178.9	-178.6	175	0	110	P209 D233	K207-P209 WeakPolarHBondContact O-CD 3.47Å; K207-D233 HydrophobicContact CD-CB 4.24Å
208	Q	93.6	Very high	97.1	Very high	67 Å²	67	60.8 Å²	60.8	31%	0.313	31%	0.311	S	S	.	.			trans	-111	71.6	-178.5	-63.9	-62.6	-32.9	0	0	110.3	Y201 E206 K210 L211	Y201-Q208 HydrophobicContact CD2-CG 4.3Å; E206-Q208 PolarHBondContact O-N 3.34Å; E206-Q208 PolarHBondContact O-NE2 3.4Å; Q208-K210 PolarHBondContact O-N 2.99Å; Q208-K210 VanDerWaalsContact O-N 3.14Å; Q208-L211 HydrophobicContact CB-CB 4.47Å; Q208-L211 HydrophobicContact CB-CD1 3.45Å; Q208-L211 VanDerWaalsContact CB-CD1 3.45Å; Q208-L211 HydrophobicContact CB-CG 3.8Å; Q208-L211 HydrophobicContact CG-CD1 4.03Å; Q208-L211 WeakPolarHBondContact O-CB 3.44Å; Q208-L211 PolarHBondContact O-N 3.38Å; Q208-L211 VanDerWaalsContact O-N 3.07Å
209	P	94.4	Very high	97.1	Very high	38 Å²	38	61 Å²	61	25%	0.247	31%	0.312	C	S	.	.	H	α-helix	trans	-56.4	-33.5	-176.5	22.9	-34.1	0	0	0	112.8	K207 L211 L212 H213 D233	K207-P209 WeakPolarHBondContact O-CD 3.47Å; P209-L211 PolarHBondContact O-N 3.16Å; P209-L212 PolarHBondContact O-N 3.05Å; P209-H213 PolarHBondContact O-CD2 3.47Å; P209-H213 VanDerWaalsContact O-CD2 3.24Å; P209-H213 PolarHBondContact O-N 3.36Å; P209-D233 WeakPolarHBondContact CA-O 3.27Å; P209-D233 HydrophobicContact CB-CB 3.9Å
210	K	97.5	Very high	97.1	Very high	165 Å²	165	62.5 Å²	62.5	72%	0.717	32%	0.316	S	S	*	.	H	α-helix	trans	-59	-30.1	179.4	-63.2	-174.1	-178.6	-179.9	0	113.4	Q208 H213 A214	Q208-K210 PolarHBondContact O-N 2.99Å; Q208-K210 VanDerWaalsContact O-N 3.14Å; K210-H213 PolarHBondContact O-N 2.86Å; K210-A214 VanDerWaalsContact O-CB 3.29Å; K210-A214 WeakPolarHBondContact O-CB 3.48Å; K210-A214 PolarHBondContact O-N 3.09Å
211	L	98.4	Very high	97.1	Very high	21 Å²	21	62.1 Å²	62.1	11%	0.11	32%	0.321	C	S	.	.	H	α-helix	trans	-66.4	-48.2	178.3	-65.5	174	0	0	0	110.8	Y174 H198 N200 Q208 P209 V215 L262	Y174-L211 HydrophobicContact CE1-CB 4.3Å; Y174-L211 VanDerWaalsContact OH-CA 3.25Å; Y174-L211 WeakPolarHBondContact OH-CA 3.49Å; Y174-L211 WeakPolarHBondContact OH-CB 3.23Å; Y174-L211 VanDerWaalsContact OH-CD2 3.31Å; Y174-L211 WeakPolarHBondContact OH-CD2 3.39Å; Y174-L211 PolarHBondContact OH-O 3.39Å; H198-L211 HydrophobicContact CB-CD1 3.92Å; N200-L211 HydrophobicContact CB-CD1 4.44Å; Q208-L211 HydrophobicContact CB-CB 4.47Å; Q208-L211 HydrophobicContact CB-CD1 3.45Å; Q208-L211 VanDerWaalsContact CB-CD1 3.45Å; Q208-L211 HydrophobicContact CB-CG 3.8Å; Q208-L211 HydrophobicContact CG-CD1 4.03Å; Q208-L211 WeakPolarHBondContact O-CB 3.44Å; Q208-L211 PolarHBondContact O-N 3.38Å; Q208-L211 VanDerWaalsContact O-N 3.07Å; P209-L211 PolarHBondContact O-N 3.16Å; L211-V215 PolarHBondContact O-N 3.22Å; L211-L262 HydrophobicContact CB-CD2 3.99Å
212	L	98.6	Very high	97	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-66	-41.3	175	177	62.6	0	0	0	111.3	P209 V215 V216 T234 K235 F236 I260 L262	P209-L212 PolarHBondContact O-N 3.05Å; L212-V215 PolarHBondContact O-N 3.42Å; L212-V216 HydrophobicContact CD1-CG2 4.15Å; L212-V216 HydrophobicContact CG-CG2 4.38Å; L212-V216 WeakPolarHBondContact O-CG2 3.43Å; L212-V216 PolarHBondContact O-N 3.25Å; L212-T234 VanDerWaalsContact CD2-C 3.48Å; L212-K235 VanDerWaalsContact CD2-N 3.33Å; L212-F236 HydrophobicContact CD1-CB 4.24Å; L212-F236 HydrophobicContact CD2-CB 4.28Å; L212-I260 HydrophobicContact CD1-CB 4.07Å; L212-I260 HydrophobicContact CD1-CG2 3.66Å; L212-L262 HydrophobicContact CB-CB 4.33Å; L212-L262 HydrophobicContact CB-CD2 4.12Å
213	H	98.5	Very high	96.9	Very high	57 Å²	57	64 Å²	64	26%	0.264	34%	0.336	S	S	.	.	H	α-helix	trans	-63.8	-43.8	-177.9	-64.2	178.1	0	0	0	111.5	P209 K210 V215 V216 D217 K231 G232	P209-H213 PolarHBondContact O-CD2 3.47Å; P209-H213 VanDerWaalsContact O-CD2 3.24Å; P209-H213 PolarHBondContact O-N 3.36Å; K210-H213 PolarHBondContact O-N 2.86Å; H213-V215 VanDerWaalsContact C-N 3.29Å; H213-V215 PolarHBondContact O-N 3.34Å; H213-V216 PolarHBondContact O-N 2.9Å; H213-V216 VanDerWaalsContact O-N 3.17Å; H213-D217 WeakPolarHBondContact O-CB 3.35Å; H213-D217 PolarHBondContact O-N 3.43Å; H213-K231 VanDerWaalsContact CD2-CE 3.49Å; H213-K231 WeakPolarHBondContact CD2-CE 3.46Å; H213-G232 PolarHBondContact NE2-O 3.09Å; H213-G232 VanDerWaalsContact NE2-O 3.09Å
214	A	98.5	Very high	97	Very high	40 Å²	40	61.6 Å²	61.6	33%	0.331	32%	0.319	S	S	.	.	H	α-helix	trans	-57.4	-40.9	176.1	0	0	0	0	0	112.6	I170 K210 H218	I170-A214 HydrophobicContact CG2-CB 4.49Å; K210-A214 VanDerWaalsContact O-CB 3.29Å; K210-A214 WeakPolarHBondContact O-CB 3.48Å; K210-A214 PolarHBondContact O-N 3.09Å; A214-H218 VanDerWaalsContact O-CB 3.27Å; A214-H218 WeakPolarHBondContact O-CB 3.23Å; A214-H218 PolarHBondContact O-N 3.39Å
215	V	98.7	Very high	97.1	Very high	3 Å²	3	53.7 Å²	53.7	2%	0.018	28%	0.282	C	S	.	.	H	α-helix	trans	-65.4	-47.3	175.6	173.9	0	0	0	0	111.8	L167 I170 Y174 L196 L211 L212 H213 H218 L219	L167-V215 HydrophobicContact CD2-CB 4.36Å; L167-V215 HydrophobicContact CD2-CG1 3.65Å; L167-V215 HydrophobicContact CD2-CG2 3.7Å; I170-V215 HydrophobicContact CD1-CB 4.36Å; I170-V215 HydrophobicContact CD1-CG2 4.04Å; Y174-V215 HydrophobicContact CD1-CG2 4.47Å; Y174-V215 HydrophobicContact CD2-CG2 4.46Å; Y174-V215 HydrophobicContact CE1-CG2 4.05Å; Y174-V215 HydrophobicContact CE2-CG2 4.08Å; L196-V215 HydrophobicContact CD2-CB 4.34Å; L196-V215 HydrophobicContact CD2-CG2 3.83Å; L211-V215 PolarHBondContact O-N 3.22Å; L212-V215 PolarHBondContact O-N 3.42Å; H213-V215 VanDerWaalsContact C-N 3.29Å; H213-V215 PolarHBondContact O-N 3.34Å; V215-H218 PolarHBondContact O-N 2.89Å; V215-L219 HydrophobicContact CG1-CD1 4.04Å; V215-L219 HydrophobicContact CG1-CG 4.5Å; V215-L219 VanDerWaalsContact O-CG 3.3Å; V215-L219 WeakPolarHBondContact O-CG 3.41Å; V215-L219 PolarHBondContact O-N 3.16Å
216	V	98.7	Very high	97.2	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-63.8	-47.4	179.2	174.1	0	0	0	0	111	L212 H213 H218 L219 E220 K231 F236 I260	L212-V216 HydrophobicContact CD1-CG2 4.15Å; L212-V216 HydrophobicContact CG-CG2 4.38Å; L212-V216 WeakPolarHBondContact O-CG2 3.43Å; L212-V216 PolarHBondContact O-N 3.25Å; H213-V216 PolarHBondContact O-N 2.9Å; H213-V216 VanDerWaalsContact O-N 3.17Å; V216-H218 VanDerWaalsContact C-N 3.28Å; V216-H218 PolarHBondContact O-N 3.03Å; V216-L219 PolarHBondContact O-N 3.49Å; V216-E220 HydrophobicContact CG1-CG 4.33Å; V216-E220 WeakPolarHBondContact O-CB 3.4Å; V216-E220 WeakPolarHBondContact O-CG 3.28Å; V216-E220 PolarHBondContact O-N 3.38Å; V216-K231 HydrophobicContact CG1-CD 4.19Å; V216-F236 HydrophobicContact CB-CD2 4.41Å; V216-F236 HydrophobicContact CG1-CD2 3.78Å; V216-F236 HydrophobicContact CG1-CE2 3.49Å; V216-F236 VanDerWaalsContact CG1-CE2 3.49Å; V216-F236 HydrophobicContact CG1-CG 4.42Å; V216-F236 HydrophobicContact CG1-CZ 3.94Å; V216-F236 HydrophobicContact CG2-CB 3.86Å; V216-F236 HydrophobicContact CG2-CD1 4.06Å; V216-F236 HydrophobicContact CG2-CD2 3.68Å; V216-F236 HydrophobicContact CG2-CE2 4.19Å; V216-F236 HydrophobicContact CG2-CG 3.59Å; V216-I260 HydrophobicContact CG2-CD1 4.35Å
217	D	98.5	Very high	97.4	Very high	82 Å²	82	46.6 Å²	46.6	44%	0.439	25%	0.25	S	C	.	.	H	α-helix	trans	-61.1	-39.6	-178.6	-63.1	-9.9	0	0	0	110.8	H213 E220 S221 K231	H213-D217 WeakPolarHBondContact O-CB 3.35Å; H213-D217 PolarHBondContact O-N 3.43Å; D217-E220 PolarHBondContact O-N 2.68Å; D217-S221 WeakPolarHBondContact O-CB 3.42Å; D217-S221 PolarHBondContact O-N 3.34Å; D217-K231 IonicContact OD1-NZ 2.69Å; D217-K231 PolarHBondContact OD1-NZ 2.76Å
218	H	98.5	Very high	97.8	Very high	46 Å²	46	42.4 Å²	42.4	21%	0.213	23%	0.234	C	C	.	.	H	α-helix	trans	-65.3	-48	175	-177.8	72.7	0	0	0	112.1	E166 I170 A214 V215 V216 E220 S221 I222	E166-H218 IonicContact OE2-CD2 3.68Å; E166-H218 IonicContact OE2-CE1 3.48Å; E166-H218 IonicContact OE2-NE2 3.76Å; E166-H218 PolarHBondContact OE2-NE2 2.95Å; I170-H218 HydrophobicContact CD1-CB 3.66Å; I170-H218 HydrophobicContact CG1-CB 3.86Å; A214-H218 VanDerWaalsContact O-CB 3.27Å; A214-H218 WeakPolarHBondContact O-CB 3.23Å; A214-H218 PolarHBondContact O-N 3.39Å; V215-H218 PolarHBondContact O-N 2.89Å; V216-H218 VanDerWaalsContact C-N 3.28Å; V216-H218 PolarHBondContact O-N 3.03Å; H218-E220 VanDerWaalsContact C-N 3.27Å; H218-E220 PolarHBondContact O-N 3.38Å; H218-S221 WeakPolarHBondContact O-CB 3.08Å; H218-S221 PolarHBondContact O-N 3.43Å; H218-S221 PolarHBondContact O-OG 3.39Å; H218-I222 PolarHBondContact O-N 3Å
219	L	98.4	Very high	98	Very high	3 Å²	3	39.8 Å²	39.8	2%	0.016	22%	0.222	C	C	.	.	H	α-helix	trans	-64.6	-30.7	178.1	-66.9	176	0	0	0	112.6	E166 V215 V216 I222 F224 V225 I260	E166-L219 HydrophobicContact CB-CD2 4.15Å; E166-L219 HydrophobicContact CG-CD2 4.49Å; V215-L219 HydrophobicContact CG1-CD1 4.04Å; V215-L219 HydrophobicContact CG1-CG 4.5Å; V215-L219 VanDerWaalsContact O-CG 3.3Å; V215-L219 WeakPolarHBondContact O-CG 3.41Å; V215-L219 PolarHBondContact O-N 3.16Å; V216-L219 PolarHBondContact O-N 3.49Å; L219-I222 HydrophobicContact CD2-CD1 4.11Å; L219-I222 WeakPolarHBondContact O-CG1 3.03Å; L219-F224 HydrophobicContact CB-CD1 4.43Å; L219-F224 HydrophobicContact CD1-CD1 4.43Å; L219-F224 HydrophobicContact CD2-CD1 4.02Å; L219-F224 PolarHBondContact O-N 3.44Å; L219-V225 HydrophobicContact CB-CB 4.19Å; L219-V225 HydrophobicContact CB-CG2 3.62Å; L219-V225 HydrophobicContact CD1-CG2 4.27Å; L219-V225 PolarHBondContact O-N 3.19Å; L219-I260 HydrophobicContact CD1-CD1 4.06Å
220	E	98.3	Very high	98.2	Very high	71 Å²	71	40.2 Å²	40.2	33%	0.332	23%	0.226	S	C	.	.	H	α-helix	trans	-68.1	-43	169.7	-74.1	175.8	158.5	0	0	110.9	V216 D217 H218 I222 G223 V225 T228	V216-E220 HydrophobicContact CG1-CG 4.33Å; V216-E220 WeakPolarHBondContact O-CB 3.4Å; V216-E220 WeakPolarHBondContact O-CG 3.28Å; V216-E220 PolarHBondContact O-N 3.38Å; D217-E220 PolarHBondContact O-N 2.68Å; H218-E220 VanDerWaalsContact C-N 3.27Å; H218-E220 PolarHBondContact O-N 3.38Å; E220-I222 VanDerWaalsContact C-N 3.28Å; E220-I222 PolarHBondContact O-N 3.02Å; E220-G223 PolarHBondContact O-N 3.14Å; E220-V225 HydrophobicContact CG-CB 3.79Å; E220-V225 HydrophobicContact CG-CG1 3.54Å; E220-T228 PolarHBondContact OE1-OG1 2.94Å; E220-T228 VanDerWaalsContact OE1-OG1 3.09Å
221	S	98	Very high	98.2	Very high	89 Å²	89	35.9 Å²	35.9	62%	0.622	21%	0.207	S	C	*	.	H	α-helix	trans	-63.4	-29.8	-177.8	79	0	0	0	0	114.4	D217 H218 G223	D217-S221 WeakPolarHBondContact O-CB 3.42Å; D217-S221 PolarHBondContact O-N 3.34Å; H218-S221 WeakPolarHBondContact O-CB 3.08Å; H218-S221 PolarHBondContact O-N 3.43Å; H218-S221 PolarHBondContact O-OG 3.39Å; S221-G223 VanDerWaalsContact C-N 3.32Å
222	I	96.8	Very high	98.1	Very high	62 Å²	62	36.4 Å²	36.4	32%	0.318	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	3.5	175.9	68.4	173.9	0	0	0	112.7	E166 H218 L219 E220 F224	E166-I222 HydrophobicContact CG-CD1 3.6Å; H218-I222 PolarHBondContact O-N 3Å; L219-I222 HydrophobicContact CD2-CD1 4.11Å; L219-I222 WeakPolarHBondContact O-CG1 3.03Å; E220-I222 VanDerWaalsContact C-N 3.28Å; E220-I222 PolarHBondContact O-N 3.02Å; I222-F224 VanDerWaalsContact C-N 3.26Å; I222-F224 HydrophobicContact CD1-CB 4.03Å; I222-F224 HydrophobicContact CG1-CB 3.94Å; I222-F224 PolarHBondContact O-N 3.33Å
223	G	96.6	Very high	98.1	Very high	26 Å²	26	39.8 Å²	39.8	27%	0.268	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.7	7.4	-179.2	0	0	0	0	0	115.1	E220 S221 Q243	E220-G223 PolarHBondContact O-N 3.14Å; S221-G223 VanDerWaalsContact C-N 3.32Å; G223-Q243 PolarHBondContact O-NE2 3.02Å
224	F	97.8	Very high	98	Very high	3 Å²	3	38 Å²	38	1%	0.013	23%	0.229	C	C	.	.	S	Bend	trans	-72.8	-45.3	177.7	179.5	-111.6	0	0	0	111.3	M159 L162 I163 L219 I222 C240 Q241 L242 I258	M159-F224 HydrophobicContact CB-CZ 4.31Å; M159-F224 HydrophobicContact CG-CE2 4.15Å; M159-F224 HydrophobicContact CG-CZ 4.13Å; M159-F224 HydrophobicContact SD-CZ 4.47Å; L162-F224 HydrophobicContact CD2-CB 4.28Å; L162-F224 HydrophobicContact CD2-CD2 3.38Å; L162-F224 HydrophobicContact CD2-CE2 3.8Å; L162-F224 HydrophobicContact CD2-CG 3.83Å; I163-F224 HydrophobicContact CD1-CE1 3.9Å; I163-F224 HydrophobicContact CD1-CZ 4.02Å; I163-F224 HydrophobicContact CG1-CE1 3.79Å; I163-F224 HydrophobicContact CG1-CZ 4.18Å; L219-F224 HydrophobicContact CB-CD1 4.43Å; L219-F224 HydrophobicContact CD1-CD1 4.43Å; L219-F224 HydrophobicContact CD2-CD1 4.02Å; L219-F224 PolarHBondContact O-N 3.44Å; I222-F224 VanDerWaalsContact C-N 3.26Å; I222-F224 HydrophobicContact CD1-CB 4.03Å; I222-F224 HydrophobicContact CG1-CB 3.94Å; I222-F224 PolarHBondContact O-N 3.33Å; F224-C240 HydrophobicContact CD1-CB 4.08Å; F224-C240 HydrophobicContact CD2-CB 4.41Å; F224-C240 HydrophobicContact CE1-CB 3.74Å; F224-C240 HydrophobicContact CE2-CB 4.08Å; F224-C240 HydrophobicContact CG-CB 4.42Å; F224-C240 HydrophobicContact CZ-CB 3.74Å; F224-C240 CarbonylContact O-C 3.55Å; F224-C240 WeakPolarHBondContact O-CA 3.25Å; F224-C240 WeakPolarHBondContact O-CB 3.44Å; F224-Q241 VanDerWaalsContact CD2-O 3.26Å; F224-Q241 WeakPolarHBondContact CD2-O 3.1Å; F224-Q241 PolarHBondContact O-N 3.07Å; F224-L242 HydrophobicContact CE2-CD2 4.09Å; F224-I258 HydrophobicContact CE1-CD1 3.97Å
225	V	98.5	Very high	98	Very high	5 Å²	5	40.5 Å²	40.5	3%	0.03	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	120.7	170	170.4	0	0	0	0	108.5	L219 E220 F236 V239	L219-V225 HydrophobicContact CB-CB 4.19Å; L219-V225 HydrophobicContact CB-CG2 3.62Å; L219-V225 HydrophobicContact CD1-CG2 4.27Å; L219-V225 PolarHBondContact O-N 3.19Å; E220-V225 HydrophobicContact CG-CB 3.79Å; E220-V225 HydrophobicContact CG-CG1 3.54Å; V225-F236 HydrophobicContact CG1-CE1 4.22Å; V225-F236 HydrophobicContact CG1-CZ 3.67Å; V225-F236 HydrophobicContact CG2-CE1 4.45Å; V225-V239 CarbonylContact C-O 3.56Å; V225-V239 WeakPolarHBondContact CA-O 3.49Å
226	T	98.3	Very high	98	Very high	48 Å²	48	40.3 Å²	40.3	29%	0.294	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	-31.6	-172.5	64.2	0	0	0	0	112.8	V239 Q241	T226-V239 PolarHBondContact N-O 3.36Å; T226-V239 WeakPolarHBondContact OG1-CG1 2.96Å; T226-V239 PolarHBondContact OG1-O 3.16Å; T226-Q241 HydrophobicContact CG2-CB 3.91Å
227	D	98.6	Very high	98	Very high	30 Å²	30	41.8 Å²	41.8	16%	0.16	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	147.1	-178.7	-52.9	-114.5	0	0	0	111.9	I139 K142 Y143 G238 V239	I139-D227 HydrophobicContact CD1-CB 3.93Å; I139-D227 HydrophobicContact CG1-CB 4.45Å; I139-D227 HydrophobicContact CG2-CB 4.2Å; K142-D227 IonicContact NZ-OD1 2.77Å; K142-D227 PolarHBondContact NZ-OD1 3.44Å; Y143-D227 HydrophobicContact CE2-CB 4.42Å; Y143-D227 VanDerWaalsContact CE2-OD2 3.23Å; Y143-D227 WeakPolarHBondContact CE2-OD2 3.49Å; Y143-D227 VanDerWaalsContact CZ-OD2 3.28Å; Y143-D227 PolarHBondContact OH-OD2 3.09Å; D227-G238 CarbonylContact O-C 3.6Å; D227-G238 WeakPolarHBondContact O-CA 3.45Å; D227-V239 HydrophobicContact CB-CB 3.98Å; D227-V239 HydrophobicContact CB-CG2 3.89Å; D227-V239 PolarHBondContact O-N 3.18Å
228	T	98.6	Very high	98	Very high	34 Å²	34	37.9 Å²	37.9	21%	0.209	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	125.7	175.5	-72.7	0	0	0	0	110.6	H135 I139 E220 K231 F236	H135-T228 PolarHBondContact CD2-O 2.81Å; H135-T228 VanDerWaalsContact CD2-O 3.31Å; H135-T228 PolarHBondContact NE2-O 3.08Å; I139-T228 WeakPolarHBondContact CD1-O 3.28Å; E220-T228 PolarHBondContact OE1-OG1 2.94Å; E220-T228 VanDerWaalsContact OE1-OG1 3.09Å; T228-K231 HydrophobicContact CG2-CB 4.06Å; T228-F236 HydrophobicContact CG2-CE2 3.92Å; T228-F236 WeakPolarHBondContact OG1-CE2 3.4Å
229	L	97.8	Very high	98	Very high	13 Å²	13	35.7 Å²	35.7	7%	0.068	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	-45.2	168.6	-54.9	-176.2	0	0	0	111.3	T104 I139 M237 R257	T104-L229 HydrophobicContact CG2-CD1 4.45Å; I139-L229 HydrophobicContact CB-CD2 3.53Å; I139-L229 HydrophobicContact CD1-CD2 3.8Å; I139-L229 HydrophobicContact CG1-CD2 4.27Å; I139-L229 HydrophobicContact CG2-CD2 3.41Å; I139-L229 VanDerWaalsContact CG2-CD2 3.41Å; L229-M237 WeakPolarHBondContact CA-O 3.12Å; L229-M237 HydrophobicContact CB-CB 4.33Å; L229-M237 VanDerWaalsContact CB-O 3.31Å; L229-M237 WeakPolarHBondContact CB-O 3.23Å; L229-M237 PolarHBondContact N-O 3.43Å; L229-R257 VanDerWaalsContact CD1-CZ 3.42Å
230	S	98	Very high	98	Very high	46 Å²	46	35.6 Å²	35.6	32%	0.322	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	142.4	174.2	68.8	0	0	0	0	111.1	M237	S230-M237 PolarHBondContact N-O 3.11Å; S230-M237 PolarHBondContact O-N 3.21Å
231	K	98	Very high	98	Very high	74 Å²	74	33.6 Å²	33.6	32%	0.322	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	115.7	179	-173.8	175	-176.4	173.8	0	109	H213 V216 D217 T228 F236	H213-K231 VanDerWaalsContact CD2-CE 3.49Å; H213-K231 WeakPolarHBondContact CD2-CE 3.46Å; V216-K231 HydrophobicContact CG1-CD 4.19Å; D217-K231 IonicContact OD1-NZ 2.69Å; D217-K231 PolarHBondContact OD1-NZ 2.76Å; T228-K231 HydrophobicContact CG2-CB 4.06Å; K231-F236 HydrophobicContact CB-CD2 4.07Å; K231-F236 HydrophobicContact CD-CD2 4.42Å; K231-F236 HydrophobicContact CG-CD2 4.08Å
232	G	97	Very high	97.8	Very high	32 Å²	32	30.1 Å²	30.1	33%	0.33	17%	0.172	S	C	.	.			trans	-117.1	-163.7	175.6	0	0	0	0	0	111.8	H213 K235	H213-G232 PolarHBondContact NE2-O 3.09Å; H213-G232 VanDerWaalsContact NE2-O 3.09Å; G232-K235 PolarHBondContact N-O 3.07Å
233	D	97.3	Very high	97.3	Very high	71 Å²	71	32.1 Å²	32.1	38%	0.38	18%	0.18	S	C	.	.	S	Bend	trans	-70.6	-37.5	-179.4	-54.7	-21.8	0	0	0	112.9	K207 P209	K207-D233 HydrophobicContact CD-CB 4.24Å; P209-D233 WeakPolarHBondContact CA-O 3.27Å; P209-D233 HydrophobicContact CB-CB 3.9Å
234	T	97.7	Very high	96.3	Very high	19 Å²	19	34.8 Å²	34.8	12%	0.117	19%	0.188	C	C	.	.	S	Bend	trans	-126.1	-4.2	-172	56.9	0	0	0	0	113.6	Y201 L212 R261 L262	Y201-T234 HydrophobicContact CE1-CG2 4.27Å; L212-T234 VanDerWaalsContact CD2-C 3.48Å; T234-R261 WeakPolarHBondContact O-CD 3.32Å; T234-L262 PolarHBondContact O-N 3.23Å
235	K	98.3	Very high	95	Very high	93 Å²	93	38.4 Å²	38.4	40%	0.404	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	132.1	179.8	-165.4	-175.4	70.8	161.6	0	111.1	L212 G232 M237 I260	L212-K235 VanDerWaalsContact CD2-N 3.33Å; G232-K235 PolarHBondContact N-O 3.07Å; K235-M237 HydrophobicContact CD-CG 4.41Å; K235-M237 PolarHBondContact NZ-SD 3.09Å; K235-I260 WeakPolarHBondContact CA-O 3.43Å
236	F	98.8	Very high	93.2	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	140.3	168.9	171.7	-99.1	0	0	0	109	L212 V216 V225 T228 K231 I258 D259 I260	L212-F236 HydrophobicContact CD1-CB 4.24Å; L212-F236 HydrophobicContact CD2-CB 4.28Å; V216-F236 HydrophobicContact CB-CD2 4.41Å; V216-F236 HydrophobicContact CG1-CD2 3.78Å; V216-F236 HydrophobicContact CG1-CE2 3.49Å; V216-F236 VanDerWaalsContact CG1-CE2 3.49Å; V216-F236 HydrophobicContact CG1-CG 4.42Å; V216-F236 HydrophobicContact CG1-CZ 3.94Å; V216-F236 HydrophobicContact CG2-CB 3.86Å; V216-F236 HydrophobicContact CG2-CD1 4.06Å; V216-F236 HydrophobicContact CG2-CD2 3.68Å; V216-F236 HydrophobicContact CG2-CE2 4.19Å; V216-F236 HydrophobicContact CG2-CG 3.59Å; V225-F236 HydrophobicContact CG1-CE1 4.22Å; V225-F236 HydrophobicContact CG1-CZ 3.67Å; V225-F236 HydrophobicContact CG2-CE1 4.45Å; T228-F236 HydrophobicContact CG2-CE2 3.92Å; T228-F236 WeakPolarHBondContact OG1-CE2 3.4Å; K231-F236 HydrophobicContact CB-CD2 4.07Å; K231-F236 HydrophobicContact CD-CD2 4.42Å; K231-F236 HydrophobicContact CG-CD2 4.08Å; F236-I258 HydrophobicContact CE1-CG2 4.13Å; F236-D259 WeakPolarHBondContact O-CA 3.41Å; F236-I260 HydrophobicContact CB-CB 4.16Å; F236-I260 HydrophobicContact CD1-CB 4.4Å; F236-I260 HydrophobicContact CD1-CD1 3.98Å; F236-I260 HydrophobicContact CD1-CG1 3.97Å; F236-I260 PolarHBondContact N-O 3.48Å; F236-I260 PolarHBondContact O-N 2.86Å
237	M	98.7	Very high	91.4	Very high	31 Å²	31	51.9 Å²	51.9	15%	0.153	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	121.4	170.2	-56.9	178.3	58	0	0	107.2	L229 S230 K235 R257 D259	L229-M237 WeakPolarHBondContact CA-O 3.12Å; L229-M237 HydrophobicContact CB-CB 4.33Å; L229-M237 VanDerWaalsContact CB-O 3.31Å; L229-M237 WeakPolarHBondContact CB-O 3.23Å; L229-M237 PolarHBondContact N-O 3.43Å; S230-M237 PolarHBondContact N-O 3.11Å; S230-M237 PolarHBondContact O-N 3.21Å; K235-M237 HydrophobicContact CD-CG 4.41Å; K235-M237 PolarHBondContact NZ-SD 3.09Å; M237-R257 VanDerWaalsContact CE-NH2 3.32Å; M237-D259 WeakPolarHBondContact CA-OD1 3.21Å; M237-D259 VanDerWaalsContact CB-OD1 3.28Å; M237-D259 WeakPolarHBondContact CB-OD1 3.38Å; M237-D259 VanDerWaalsContact CG-OD1 3.23Å; M237-D259 WeakPolarHBondContact CG-OD1 3.27Å
238	G	98.6	Very high	89.8	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	-159.3	-176.7	0	0	0	0	0	114.4	D227 R257 I258	D227-G238 CarbonylContact O-C 3.6Å; D227-G238 WeakPolarHBondContact O-CA 3.45Å; G238-R257 PolarHBondContact O-NH1 3.2Å; G238-I258 VanDerWaalsContact C-CG2 3.44Å; G238-I258 PolarHBondContact N-O 2.65Å; G238-I258 PolarHBondContact O-N 3.5Å; G238-I258 VanDerWaalsContact O-N 3.12Å
239	V	98.8	Very high	87.8	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	136.7	-179.7	-171.5	0	0	0	0	107.5	I139 Y143 F147 V225 T226 D227 H255 R256	I139-V239 HydrophobicContact CG2-CG2 3.78Å; Y143-V239 HydrophobicContact CD2-CG1 4.12Å; Y143-V239 HydrophobicContact CD2-CG2 4.13Å; Y143-V239 HydrophobicContact CE2-CB 4.37Å; Y143-V239 HydrophobicContact CE2-CG1 3.94Å; Y143-V239 HydrophobicContact CE2-CG2 4.1Å; F147-V239 HydrophobicContact CE1-CG1 4.03Å; F147-V239 HydrophobicContact CE1-CG2 4.28Å; F147-V239 HydrophobicContact CZ-CG1 4.18Å; F147-V239 HydrophobicContact CZ-CG2 3.63Å; V225-V239 CarbonylContact C-O 3.56Å; V225-V239 WeakPolarHBondContact CA-O 3.49Å; T226-V239 PolarHBondContact N-O 3.36Å; T226-V239 WeakPolarHBondContact OG1-CG1 2.96Å; T226-V239 PolarHBondContact OG1-O 3.16Å; D227-V239 HydrophobicContact CB-CB 3.98Å; D227-V239 HydrophobicContact CB-CG2 3.89Å; D227-V239 PolarHBondContact O-N 3.18Å; V239-H255 HydrophobicContact CG1-CB 3.71Å; V239-R256 CarbonylContact C-O 3.38Å; V239-R256 VanDerWaalsContact CA-O 3.28Å; V239-R256 WeakPolarHBondContact CA-O 3.42Å
240	C	98.4	Very high	85.8	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	159.2	174.1	65.4	0	0	0	0	111.4	F224 R256 I258	F224-C240 HydrophobicContact CD1-CB 4.08Å; F224-C240 HydrophobicContact CD2-CB 4.41Å; F224-C240 HydrophobicContact CE1-CB 3.74Å; F224-C240 HydrophobicContact CE2-CB 4.08Å; F224-C240 HydrophobicContact CG-CB 4.42Å; F224-C240 HydrophobicContact CZ-CB 3.74Å; F224-C240 CarbonylContact O-C 3.55Å; F224-C240 WeakPolarHBondContact O-CA 3.25Å; F224-C240 WeakPolarHBondContact O-CB 3.44Å; C240-R256 PolarHBondContact N-O 2.76Å; C240-R256 PolarHBondContact O-N 3.11Å; C240-I258 HydrophobicContact CB-CB 4.27Å; C240-I258 HydrophobicContact CB-CD1 4.33Å; C240-I258 HydrophobicContact CB-CG2 3.87Å
241	Q	97.1	Very high	84.3	Confident	29 Å²	29	74 Å²	74	14%	0.136	38%	0.382	C	S	.	.			trans	-144.4	134.5	177.7	-163.9	-175.3	20.8	0	0	107.8	F224 T226 H253 H255	F224-Q241 VanDerWaalsContact CD2-O 3.26Å; F224-Q241 WeakPolarHBondContact CD2-O 3.1Å; F224-Q241 PolarHBondContact O-N 3.07Å; T226-Q241 HydrophobicContact CG2-CB 3.91Å; Q241-H253 HydrophobicContact CG-CB 4.35Å; Q241-H253 WeakPolarHBondContact CG-O 3.19Å; Q241-H253 PolarHBondContact NE2-O 3.31Å; Q241-H255 PolarHBondContact NE2-CE1 3.04Å; Q241-H255 PolarHBondContact OE1-NE2 2.88Å
242	L	93.5	Very high	83.2	Confident	16 Å²	16	77.6 Å²	77.6	8%	0.084	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-67.8	136.8	166.3	-75.5	174	0	0	0	107.9	E155 K158 M159 L162 F224 H253	E155-L242 HydrophobicContact CG-CD1 3.75Å; K158-L242 HydrophobicContact CB-CD1 3.83Å; K158-L242 HydrophobicContact CB-CD2 4.48Å; K158-L242 HydrophobicContact CD-CD1 4.2Å; M159-L242 HydrophobicContact CE-CD1 4.45Å; M159-L242 HydrophobicContact CG-CD1 4Å; M159-L242 HydrophobicContact CG-CD2 3.77Å; M159-L242 HydrophobicContact CG-CG 3.79Å; L162-L242 HydrophobicContact CD2-CD2 4.21Å; F224-L242 HydrophobicContact CE2-CD2 4.09Å; L242-H253 HydrophobicContact CB-CB 3.99Å; L242-H253 WeakPolarHBondContact O-CB 3.42Å; L242-H253 PolarHBondContact O-CD2 2.92Å
243	Q	86.4	Confident	82.8	Confident	105 Å²	105	77.5 Å²	77.5	49%	0.491	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-79.2	138	174.7	-63.7	-66	-39.8	0	0	108.8	G223 T245	G223-Q243 PolarHBondContact O-NE2 3.02Å; Q243-T245 PolarHBondContact O-N 3.35Å
244	D	76.3	Confident	82.7	Confident	81 Å²	81	76.2 Å²	76.2	43%	0.433	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-64.3	135.4	176.5	-60.1	-36.5	0	0	0	109.7	H253	D244-H253 IonicContact OD1-CD2 2.81Å; D244-H253 PolarHBondContact OD1-CD2 3.36Å; D244-H253 IonicContact OD1-CG 2.69Å; D244-H253 PolarHBondContact OD1-N 2.95Å; D244-H253 IonicContact OD1-NE2 3.56Å
245	T	70	Confident	82.7	Confident	80 Å²	80	76.6 Å²	76.6	49%	0.491	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-102.6	157.4	170.2	59.5	0	0	0	0	109.8	Q243 D247 D248	Q243-T245 PolarHBondContact O-N 3.35Å; T245-D247 PolarHBondContact O-N 2.82Å; T245-D248 PolarHBondContact N-OD2 3.29Å; T245-D248 PolarHBondContact O-N 2.94Å; T245-D248 PolarHBondContact OG1-OD2 3.33Å
246	D	61.9	Low	82.7	Confident	179 Å²	179	72.8 Å²	72.8	96%	0.957	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-12.6	179.4	-64.6	-43.8	0	0	0	113.7
247	D	60.6	Low	82.7	Confident	156 Å²	156	73.9 Å²	73.9	83%	0.834	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	-2.8	-179.1	-70.7	-37.2	0	0	0	114.5	T245	T245-D247 PolarHBondContact O-N 2.82Å
248	D	63.7	Low	82.7	Confident	49 Å²	49	72.4 Å²	72.4	26%	0.262	36%	0.364	S	S	.	.	S	Bend	trans	-87.4	128.6	177.6	-70.5	-55.6	0	0	0	110.6	K158 T245 E250 H253	K158-D248 IonicContact NZ-OD1 3.96Å; K158-D248 PolarHBondContact NZ-OD1 3.47Å; T245-D248 PolarHBondContact N-OD2 3.29Å; T245-D248 PolarHBondContact O-N 2.94Å; T245-D248 PolarHBondContact OG1-OD2 3.33Å; D248-E250 PolarHBondContact O-N 2.83Å; D248-H253 IonicContact OD2-NE2 2.69Å; D248-H253 PolarHBondContact OD2-NE2 3.5Å
249	D	57.9	Low	82.7	Confident	162 Å²	162	73.7 Å²	73.7	87%	0.866	37%	0.371	S	S	*	.			trans	-62.7	99.4	177.2	-74.2	-45.2	0	0	0	111	E251	D249-E251 PolarHBondContact O-N 2.8Å
250	E	55	Low	82.7	Confident	203 Å²	203	73.8 Å²	73.8	95%	0.949	37%	0.372	S	S	*	.	S	Bend	trans	38.1	-7.9	160.3	-70.8	-173.9	179.9	0	0	122.4	D248	D248-E250 PolarHBondContact O-N 2.83Å
251	E	65.9	Low	82.7	Confident	173 Å²	173	74.7 Å²	74.7	81%	0.808	38%	0.375	S	S	*	.			trans	-102.6	114.4	177.2	-74.8	-171.9	178.1	0	0	111.3	D249 H253	D249-E251 PolarHBondContact O-N 2.8Å; E251-H253 PolarHBondContact O-N 3.32Å
252	E	75.1	Confident	82.8	Confident	150 Å²	150	73.3 Å²	73.3	70%	0.701	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-50.6	132.5	173.4	-70.6	-178.6	179	0	0	111.2
253	H	88.3	Confident	83	Confident	30 Å²	30	72.6 Å²	72.6	14%	0.139	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-59.7	142.4	173.9	-68.9	-71.6	0	0	0	111.1	Q241 L242 D244 D248 E251	Q241-H253 HydrophobicContact CG-CB 4.35Å; Q241-H253 WeakPolarHBondContact CG-O 3.19Å; Q241-H253 PolarHBondContact NE2-O 3.31Å; L242-H253 HydrophobicContact CB-CB 3.99Å; L242-H253 WeakPolarHBondContact O-CB 3.42Å; L242-H253 PolarHBondContact O-CD2 2.92Å; D244-H253 IonicContact OD1-CD2 2.81Å; D244-H253 PolarHBondContact OD1-CD2 3.36Å; D244-H253 IonicContact OD1-CG 2.69Å; D244-H253 PolarHBondContact OD1-N 2.95Å; D244-H253 IonicContact OD1-NE2 3.56Å; D248-H253 IonicContact OD2-NE2 2.69Å; D248-H253 PolarHBondContact OD2-NE2 3.5Å; E251-H253 PolarHBondContact O-N 3.32Å
254	L	95.3	Very high	83.6	Confident	44 Å²	44	67.8 Å²	67.8	23%	0.23	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-78	150.6	-179.3	-58.5	171.9	0	0	0	112.1	E146 K149 R256	E146-L254 HydrophobicContact CG-CD2 4.2Å; E146-L254 WeakPolarHBondContact OE2-CA 3.46Å; K149-L254 HydrophobicContact CB-CD1 4.13Å; K149-L254 HydrophobicContact CD-CD1 3.34Å; K149-L254 HydrophobicContact CG-CD1 4.38Å; L254-R256 WeakPolarHBondContact O-CD 3.24Å; L254-R256 WeakPolarHBondContact O-CG 3.49Å; L254-R256 PolarHBondContact O-N 2.66Å
255	H	98.1	Very high	84.7	Confident	28 Å²	28	67.5 Å²	67.5	13%	0.13	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-66	123.9	168.8	-68	82.2	0	0	0	110.6	Y143 E146 V239 Q241	Y143-H255 HydrophobicContact CD1-CB 3.79Å; Y143-H255 AromaticContact CD1-CG 3.69Å; Y143-H255 AromaticContact CD1-ND1 3.92Å; Y143-H255 HydrophobicContact CE1-CB 3.98Å; Y143-H255 AromaticContact CE1-CD2 3.46Å; Y143-H255 VanDerWaalsContact CE1-CD2 3.46Å; Y143-H255 WeakPolarHBondContact CE1-CD2 3.46Å; Y143-H255 AromaticContact CE1-CE1 3.74Å; Y143-H255 AromaticContact CE1-CG 3.39Å; Y143-H255 AromaticContact CE1-ND1 3.56Å; Y143-H255 AromaticContact CE1-NE2 3.65Å; Y143-H255 HydrophobicContact CG-CB 4.16Å; Y143-H255 AromaticContact CZ-CD2 3.51Å; Y143-H255 AromaticContact CZ-CG 3.89Å; Y143-H255 AromaticContact CZ-NE2 3.82Å; Y143-H255 PolarHBondContact OH-NE2 2.87Å; E146-H255 IonicContact OE1-ND1 2.7Å; E146-H255 PolarHBondContact OE1-ND1 3.14Å; E146-H255 WeakPolarHBondContact OE2-CB 3.26Å; E146-H255 IonicContact OE2-CG 2.95Å; E146-H255 PolarHBondContact OE2-N 2.7Å; E146-H255 IonicContact OE2-ND1 3.26Å; E146-H255 PolarHBondContact OE2-ND1 3.48Å; V239-H255 HydrophobicContact CG1-CB 3.71Å; Q241-H255 PolarHBondContact NE2-CE1 3.04Å; Q241-H255 PolarHBondContact OE1-NE2 2.88Å
256	R	98.3	Very high	86	Confident	12 Å²	12	67.4 Å²	67.4	5%	0.045	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	148.8	-177.6	-53.2	-45.6	-164.9	172.8	-0.3	111	K149 I151 E155 M159 V239 C240 L254	K149-R256 PolarHBondContact O-NH1 3.04Å; I151-R256 HydrophobicContact CD1-CB 3.82Å; I151-R256 HydrophobicContact CD1-CG 3.85Å; I151-R256 HydrophobicContact CG1-CG 4.16Å; E155-R256 IonicContact OE1-CZ 3.98Å; E155-R256 IonicContact OE1-NE 3.48Å; E155-R256 PolarHBondContact OE1-NE 2.95Å; E155-R256 IonicContact OE1-NH2 3.03Å; E155-R256 PolarHBondContact OE1-NH2 2.92Å; E155-R256 IonicContact OE2-CZ 3Å; E155-R256 IonicContact OE2-NE 4Å; E155-R256 IonicContact OE2-NH2 3.29Å; E155-R256 PolarHBondContact OE2-NH2 2.94Å; M159-R256 HydrophobicContact CE-CG 4.05Å; V239-R256 CarbonylContact C-O 3.38Å; V239-R256 VanDerWaalsContact CA-O 3.28Å; V239-R256 WeakPolarHBondContact CA-O 3.42Å; C240-R256 PolarHBondContact N-O 2.76Å; C240-R256 PolarHBondContact O-N 3.11Å; L254-R256 WeakPolarHBondContact O-CD 3.24Å; L254-R256 WeakPolarHBondContact O-CG 3.49Å; L254-R256 PolarHBondContact O-N 2.66Å
257	R	98.6	Very high	87.8	Confident	23 Å²	23	60.3 Å²	60.3	9%	0.087	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	135.3	170.5	-80.9	-75	-62.5	125.5	12.6	109.8	F147 D191 I192 L229 M237 G238 D259	F147-R257 HydrophobicContact CD1-CG 3.83Å; F147-R257 HydrophobicContact CD2-CG 4.03Å; F147-R257 HydrophobicContact CE1-CG 3.84Å; F147-R257 HydrophobicContact CE2-CG 4.04Å; F147-R257 HydrophobicContact CG-CG 3.93Å; F147-R257 HydrophobicContact CZ-CG 3.94Å; D191-R257 WeakPolarHBondContact CA-O 3.34Å; D191-R257 HydrophobicContact CB-CB 3.69Å; D191-R257 VanDerWaalsContact CB-O 3.26Å; D191-R257 WeakPolarHBondContact CB-O 3.44Å; I192-R257 WeakPolarHBondContact CG2-O 3.26Å; I192-R257 PolarHBondContact N-O 3.07Å; L229-R257 VanDerWaalsContact CD1-CZ 3.42Å; M237-R257 VanDerWaalsContact CE-NH2 3.32Å; G238-R257 PolarHBondContact O-NH1 3.2Å; R257-D259 IonicContact CZ-OD1 2.65Å; R257-D259 IonicContact NH1-OD1 3.57Å; R257-D259 IonicContact NH2-OD1 2.71Å; R257-D259 PolarHBondContact NH2-OD1 2.99Å; R257-D259 IonicContact NH2-OD2 3.59Å; R257-D259 PolarHBondContact NH2-OD2 2.95Å
258	I	98.8	Very high	89.6	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	134	176.3	175.8	160.7	0	0	0	110.3	I192 I194 F224 F236 G238 C240 I260	I192-I258 HydrophobicContact CG2-CB 3.54Å; I192-I258 HydrophobicContact CG2-CD1 4.02Å; I192-I258 HydrophobicContact CG2-CG1 3.73Å; I192-I258 WeakPolarHBondContact O-CA 3.46Å; I194-I258 HydrophobicContact CD1-CD1 3.64Å; I194-I258 HydrophobicContact CD1-CG1 4.17Å; F224-I258 HydrophobicContact CE1-CD1 3.97Å; F236-I258 HydrophobicContact CE1-CG2 4.13Å; G238-I258 VanDerWaalsContact C-CG2 3.44Å; G238-I258 PolarHBondContact N-O 2.65Å; G238-I258 PolarHBondContact O-N 3.5Å; G238-I258 VanDerWaalsContact O-N 3.12Å; C240-I258 HydrophobicContact CB-CB 4.27Å; C240-I258 HydrophobicContact CB-CD1 4.33Å; C240-I258 HydrophobicContact CB-CG2 3.87Å; I258-I260 HydrophobicContact CD1-CD1 4.26Å; I258-I260 HydrophobicContact CD1-CG1 4.27Å; I258-I260 HydrophobicContact CG1-CD1 4.5Å; I258-I260 HydrophobicContact CG1-CG1 4.04Å
259	D	98.8	Very high	91.3	Very high	28 Å²	28	56.8 Å²	56.8	15%	0.15	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	123.9	173.5	-73.5	-22.1	0	0	0	109.8	I192 I194 F236 M237 R257 F275	I192-D259 PolarHBondContact O-N 3.36Å; I194-D259 PolarHBondContact N-O 2.71Å; F236-D259 WeakPolarHBondContact O-CA 3.41Å; M237-D259 WeakPolarHBondContact CA-OD1 3.21Å; M237-D259 VanDerWaalsContact CB-OD1 3.28Å; M237-D259 WeakPolarHBondContact CB-OD1 3.38Å; M237-D259 VanDerWaalsContact CG-OD1 3.23Å; M237-D259 WeakPolarHBondContact CG-OD1 3.27Å; R257-D259 IonicContact CZ-OD1 2.65Å; R257-D259 IonicContact NH1-OD1 3.57Å; R257-D259 IonicContact NH2-OD1 2.71Å; R257-D259 PolarHBondContact NH2-OD1 2.99Å; R257-D259 IonicContact NH2-OD2 3.59Å; R257-D259 PolarHBondContact NH2-OD2 2.95Å; D259-F275 HydrophobicContact CB-CZ 4.2Å
260	I	98.9	Very high	93.2	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.01	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	128.2	177.9	-48.7	178.2	0	0	0	108.6	I194 L196 L212 V216 L219 K235 F236 I258	I194-I260 HydrophobicContact CB-CG1 4.25Å; I194-I260 HydrophobicContact CB-CG2 4.31Å; I194-I260 HydrophobicContact CD1-CD1 4.36Å; I194-I260 HydrophobicContact CD1-CG1 4.05Å; I194-I260 HydrophobicContact CG1-CG1 4.44Å; I194-I260 WeakPolarHBondContact O-CA 3.48Å; L196-I260 HydrophobicContact CB-CG2 4.25Å; L196-I260 HydrophobicContact CD2-CG2 4.44Å; L212-I260 HydrophobicContact CD1-CB 4.07Å; L212-I260 HydrophobicContact CD1-CG2 3.66Å; V216-I260 HydrophobicContact CG2-CD1 4.35Å; L219-I260 HydrophobicContact CD1-CD1 4.06Å; K235-I260 WeakPolarHBondContact CA-O 3.43Å; F236-I260 HydrophobicContact CB-CB 4.16Å; F236-I260 HydrophobicContact CD1-CB 4.4Å; F236-I260 HydrophobicContact CD1-CD1 3.98Å; F236-I260 HydrophobicContact CD1-CG1 3.97Å; F236-I260 PolarHBondContact N-O 3.48Å; F236-I260 PolarHBondContact O-N 2.86Å; I258-I260 HydrophobicContact CD1-CD1 4.26Å; I258-I260 HydrophobicContact CD1-CG1 4.27Å; I258-I260 HydrophobicContact CG1-CD1 4.5Å; I258-I260 HydrophobicContact CG1-CG1 4.04Å
261	R	98.7	Very high	95.3	Very high	19 Å²	19	39.6 Å²	39.6	7%	0.072	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	108.1	-178.4	-174.9	65.6	-177.3	-88.2	1.4	110.5	I194 L195 L196 T234 I263 F275 E298 Y299	I194-R261 PolarHBondContact O-N 2.96Å; L195-R261 HydrophobicContact CD1-CB 4.49Å; L195-R261 HydrophobicContact CD1-CG 4.47Å; L196-R261 PolarHBondContact N-O 2.92Å; T234-R261 WeakPolarHBondContact O-CD 3.32Å; R261-I263 HydrophobicContact CG-CG1 4.07Å; R261-F275 HydrophobicContact CB-CD2 4.14Å; R261-F275 HydrophobicContact CB-CE2 3.68Å; R261-F275 HydrophobicContact CB-CZ 4.2Å; R261-E298 IonicContact CZ-OE1 3.68Å; R261-E298 IonicContact NH1-OE1 3.36Å; R261-E298 IonicContact NH2-OE1 2.68Å; R261-E298 PolarHBondContact NH2-OE1 2.84Å; R261-Y299 PolarHBondContact NH2-OH 2.77Å
262	L	98.8	Very high	96.9	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	121.5	170.2	178.7	64.6	0	0	0	109.4	L196 Y201 L211 L212 T234	L196-L262 HydrophobicContact CB-CD1 4.42Å; L196-L262 HydrophobicContact CD2-CD1 4.27Å; L196-L262 HydrophobicContact CG-CD1 4.25Å; L196-L262 WeakPolarHBondContact O-CA 3.28Å; Y201-L262 HydrophobicContact CD1-CD1 3.92Å; Y201-L262 HydrophobicContact CD1-CD2 3.92Å; Y201-L262 HydrophobicContact CD1-CG 3.59Å; Y201-L262 HydrophobicContact CE1-CD2 4.26Å; Y201-L262 HydrophobicContact CE1-CG 3.84Å; L211-L262 HydrophobicContact CB-CD2 3.99Å; L212-L262 HydrophobicContact CB-CB 4.33Å; L212-L262 HydrophobicContact CB-CD2 4.12Å; T234-L262 PolarHBondContact O-N 3.23Å
263	I	98.6	Very high	98	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	11%	0.111	C	C	.	.			trans	-119.8	146	178.4	-81.5	-66.6	0	0	0	109.7	L195 L196 Y201 R261 K265 Q267 E298 Y299	L195-I263 HydrophobicContact CD1-CB 4.12Å; L195-I263 HydrophobicContact CD1-CG1 3.72Å; L196-I263 PolarHBondContact O-N 3.44Å; Y201-I263 VanDerWaalsContact CE1-C 3.5Å; R261-I263 HydrophobicContact CG-CG1 4.07Å; I263-K265 PolarHBondContact O-N 2.98Å; I263-Q267 HydrophobicContact CG2-CB 4.35Å; I263-E298 HydrophobicContact CD1-CG 4.15Å; I263-Y299 HydrophobicContact CD1-CD1 3.76Å; I263-Y299 HydrophobicContact CD1-CE1 3.38Å
264	P	98.6	Very high	98.5	Very high	4 Å²	4	26.5 Å²	26.5	3%	0.026	12%	0.118	C	C	.	.			trans	-51.2	129.5	169.7	-29.8	37.6	0	0	0	111.8	Y201 D266 Q267	Y201-P264 HydrophobicContact CD1-CG 4.45Å; Y201-P264 HydrophobicContact CE1-CB 4.47Å; Y201-P264 VanDerWaalsContact CE1-CD 3.46Å; Y201-P264 HydrophobicContact CE1-CG 3.78Å; Y201-P264 VanDerWaalsContact CE1-N 3.32Å; Y201-P264 HydrophobicContact CE2-CG 4.11Å; Y201-P264 WeakPolarHBondContact O-CA 3.49Å; P264-D266 VanDerWaalsContact C-N 3.27Å; P264-D266 WeakPolarHBondContact CB-OD1 3.42Å; P264-D266 PolarHBondContact O-N 2.94Å; P264-Q267 HydrophobicContact CB-CB 4.16Å; P264-Q267 HydrophobicContact CB-CG 4.19Å; P264-Q267 WeakPolarHBondContact O-CA 3.41Å; P264-Q267 PolarHBondContact O-N 3.11Å
265	K	98.6	Very high	98.7	Very high	75 Å²	75	25.7 Å²	25.7	33%	0.326	11%	0.113	S	C	.	.	G	3₁₀ helix	trans	-57.4	-39.5	-172.8	-176.6	179.4	177.5	71.1	0	113	I175 P199 Y201 I263 Q267 Y268	I175-K265 VanDerWaalsContact CD1-NZ 3.28Å; P199-K265 HydrophobicContact CB-CD 4.11Å; Y201-K265 PolarHBondContact O-N 2.89Å; I263-K265 PolarHBondContact O-N 2.98Å; K265-Q267 PolarHBondContact O-N 3.36Å; K265-Y268 WeakPolarHBondContact O-CB 3.37Å; K265-Y268 PolarHBondContact O-N 3.46Å
266	D	98.4	Very high	98.7	Very high	79 Å²	79	24.3 Å²	24.3	42%	0.422	11%	0.107	S	C	.	.	G	3₁₀ helix	trans	-71.3	-7.5	177.5	60.9	-48.7	0	0	0	114	T202 S203 P264	T202-D266 WeakPolarHBondContact CA-OD1 3.23Å; T202-D266 VanDerWaalsContact CB-OD1 3.3Å; T202-D266 WeakPolarHBondContact CB-OD1 3.28Å; S203-D266 WeakPolarHBondContact CB-OD2 3.44Å; S203-D266 PolarHBondContact N-OD1 3.19Å; S203-D266 PolarHBondContact N-OD2 3.36Å; S203-D266 PolarHBondContact OG-OD2 3.14Å; P264-D266 VanDerWaalsContact C-N 3.27Å; P264-D266 WeakPolarHBondContact CB-OD1 3.42Å; P264-D266 PolarHBondContact O-N 2.94Å
267	Q	98.7	Very high	98.7	Very high	29 Å²	29	24 Å²	24	14%	0.136	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-111.9	14.8	177.1	-64.6	179	-20.8	0	0	112.4	I263 P264 K265 Y269 C270 G271 Y299	I263-Q267 HydrophobicContact CG2-CB 4.35Å; P264-Q267 HydrophobicContact CB-CB 4.16Å; P264-Q267 HydrophobicContact CB-CG 4.19Å; P264-Q267 WeakPolarHBondContact O-CA 3.41Å; P264-Q267 PolarHBondContact O-N 3.11Å; K265-Q267 PolarHBondContact O-N 3.36Å; Q267-Y269 VanDerWaalsContact C-N 3.29Å; Q267-Y269 PolarHBondContact O-N 3.33Å; Q267-C270 PolarHBondContact O-N 2.98Å; Q267-G271 PolarHBondContact O-N 2.89Å; Q267-G271 VanDerWaalsContact O-N 3.09Å; Q267-Y299 WeakPolarHBondContact CB-O 3.4Å; Q267-Y299 VanDerWaalsContact CG-O 3.32Å; Q267-Y299 WeakPolarHBondContact CG-O 3.49Å; Q267-Y299 VanDerWaalsContact OE1-CD1 3.31Å
268	Y	98.8	Very high	98.6	Very high	55 Å²	55	23.2 Å²	23.2	22%	0.216	11%	0.105	C	C	.	.	H	α-helix	trans	-49.2	-45.9	-176.1	173.5	-98.5	0	0	0	113	T177 L195 T197 K265 C270 G271 V272	T177-Y268 PolarHBondContact OG1-OH 2.99Å; L195-Y268 HydrophobicContact CD2-CD2 3.88Å; L195-Y268 HydrophobicContact CD2-CE2 3.8Å; T197-Y268 HydrophobicContact CG2-CD2 3.93Å; K265-Y268 WeakPolarHBondContact O-CB 3.37Å; K265-Y268 PolarHBondContact O-N 3.46Å; Y268-C270 PolarHBondContact O-N 2.56Å; Y268-G271 CarbonylContact O-C 3.5Å; Y268-G271 PolarHBondContact O-N 3.48Å; Y268-G271 VanDerWaalsContact O-N 3.11Å; Y268-V272 HydrophobicContact CD1-CG1 4.27Å; Y268-V272 HydrophobicContact CE1-CB 4.2Å; Y268-V272 HydrophobicContact CE1-CG1 3.91Å; Y268-V272 HydrophobicContact CE2-CB 4.32Å; Y268-V272 WeakPolarHBondContact O-CB 3.29Å; Y268-V272 WeakPolarHBondContact O-CG1 3.43Å; Y268-V272 PolarHBondContact O-N 3.4Å
269	Y	98.9	Very high	98.4	Very high	77 Å²	77	27.4 Å²	27.4	30%	0.302	13%	0.127	S	C	.	.	H	α-helix	trans	-67	-36.6	-174.4	-63.4	-62.5	0	0	0	113.7	Q267 L273 V316 D317 E319	Q267-Y269 VanDerWaalsContact C-N 3.29Å; Q267-Y269 PolarHBondContact O-N 3.33Å; Y269-L273 VanDerWaalsContact O-CB 3.22Å; Y269-L273 WeakPolarHBondContact O-CB 3.41Å; Y269-L273 PolarHBondContact O-N 3.33Å; Y269-L273 VanDerWaalsContact O-N 3.11Å; Y269-V316 HydrophobicContact CD2-CG1 4.36Å; Y269-V316 HydrophobicContact CG-CG1 4.38Å; Y269-D317 VanDerWaalsContact CD2-C 3.43Å; Y269-D317 WeakPolarHBondContact CE2-O 3.25Å; Y269-D317 PolarHBondContact OH-O 3.34Å; Y269-D317 VanDerWaalsContact OH-O 3.09Å; Y269-E319 HydrophobicContact CD1-CG 4.32Å
270	C	98.8	Very high	98.2	Very high	4 Å²	4	26.6 Å²	26.6	3%	0.027	12%	0.123	C	C	.	.	H	α-helix	trans	-68.1	-40.2	171.2	-66.6	0	0	0	0	111.1	Q267 Y268 Y274 E298 Y299	Q267-C270 PolarHBondContact O-N 2.98Å; Y268-C270 PolarHBondContact O-N 2.56Å; C270-Y274 WeakPolarHBondContact O-CB 3.43Å; C270-Y274 PolarHBondContact O-N 3.36Å; C270-E298 CarbonylContact C-O 3.43Å; C270-Y299 VanDerWaalsContact CB-C 3.48Å; C270-Y299 WeakPolarHBondContact CB-O 3.37Å
271	G	98.8	Very high	98.1	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-65.1	-48.3	179.6	0	0	0	0	0	112.8	Q267 Y268 Y274 F275 E298	Q267-G271 PolarHBondContact O-N 2.89Å; Q267-G271 VanDerWaalsContact O-N 3.09Å; Y268-G271 CarbonylContact O-C 3.5Å; Y268-G271 PolarHBondContact O-N 3.48Å; Y268-G271 VanDerWaalsContact O-N 3.11Å; G271-Y274 PolarHBondContact O-N 3.28Å; G271-F275 WeakPolarHBondContact O-CB 3.35Å; G271-F275 PolarHBondContact O-N 3.44Å; G271-E298 VanDerWaalsContact CA-O 3.24Å; G271-E298 WeakPolarHBondContact CA-O 3.16Å; G271-E298 PolarHBondContact N-O 3.5Å
272	V	98.9	Very high	98	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-68.5	-36.6	179.2	76.4	0	0	0	0	111.2	T177 L195 Y268 F275 T276 E319	T177-V272 HydrophobicContact CG2-CG2 4.27Å; L195-V272 HydrophobicContact CD2-CB 3.74Å; L195-V272 HydrophobicContact CD2-CG2 4.29Å; Y268-V272 HydrophobicContact CD1-CG1 4.27Å; Y268-V272 HydrophobicContact CE1-CB 4.2Å; Y268-V272 HydrophobicContact CE1-CG1 3.91Å; Y268-V272 HydrophobicContact CE2-CB 4.32Å; Y268-V272 WeakPolarHBondContact O-CB 3.29Å; Y268-V272 WeakPolarHBondContact O-CG1 3.43Å; Y268-V272 PolarHBondContact O-N 3.4Å; V272-F275 PolarHBondContact O-N 2.85Å; V272-T276 WeakPolarHBondContact O-CB 3.14Å; V272-T276 PolarHBondContact O-N 3.27Å; V272-T276 PolarHBondContact O-OG1 3.49Å; V272-E319 HydrophobicContact CG1-CG 3.77Å
273	L	98.8	Very high	97.9	Very high	4 Å²	4	30.4 Å²	30.4	2%	0.021	14%	0.141	C	C	.	.	H	α-helix	trans	-59.9	-50.5	172.5	177.2	63.4	0	0	0	110.9	Y269 F275 G277 F281 M285 L296 I322 F323	Y269-L273 VanDerWaalsContact O-CB 3.22Å; Y269-L273 WeakPolarHBondContact O-CB 3.41Å; Y269-L273 PolarHBondContact O-N 3.33Å; Y269-L273 VanDerWaalsContact O-N 3.11Å; L273-F275 PolarHBondContact O-N 3.21Å; L273-G277 PolarHBondContact O-N 3.04Å; L273-F281 HydrophobicContact CD1-CE1 4.12Å; L273-M285 HydrophobicContact CD1-CE 4.46Å; L273-M285 HydrophobicContact CD1-SD 4.08Å; L273-M285 HydrophobicContact CD2-CE 3.7Å; L273-M285 HydrophobicContact CD2-SD 3.87Å; L273-M285 HydrophobicContact CG-SD 4.37Å; L273-L296 HydrophobicContact CD2-CD2 4.17Å; L273-I322 HydrophobicContact CB-CD1 4.31Å; L273-I322 HydrophobicContact CD2-CB 4.11Å; L273-I322 HydrophobicContact CD2-CD1 3.59Å; L273-I322 HydrophobicContact CD2-CG1 4.45Å; L273-I322 HydrophobicContact CD2-CG2 3.7Å; L273-F323 HydrophobicContact CD1-CE2 3.87Å; L273-F323 HydrophobicContact CD1-CZ 4.21Å
274	Y	98.8	Very high	97.7	Very high	73 Å²	73	32.1 Å²	32.1	29%	0.286	15%	0.15	S	C	.	.	H	α-helix	trans	-57.4	-49.8	176.3	160.9	-105.9	0	0	0	111.6	C270 G271 T276 G277 N282 E298	C270-Y274 WeakPolarHBondContact O-CB 3.43Å; C270-Y274 PolarHBondContact O-N 3.36Å; G271-Y274 PolarHBondContact O-N 3.28Å; Y274-T276 PolarHBondContact O-N 2.88Å; Y274-G277 PolarHBondContact O-N 3.37Å; Y274-N282 PolarHBondContact O-ND2 2.98Å; Y274-E298 HydrophobicContact CD1-CB 3.57Å; Y274-E298 HydrophobicContact CD1-CG 4.49Å; Y274-E298 HydrophobicContact CD2-CB 4.3Å; Y274-E298 HydrophobicContact CE1-CB 4.26Å; Y274-E298 HydrophobicContact CG-CB 3.57Å
275	F	98.5	Very high	97.7	Very high	27 Å²	27	32 Å²	32	12%	0.118	15%	0.149	C	C	.	.	H	α-helix	trans	-81.4	-18.6	-170.8	-144.7	18.1	0	0	0	112.9	C179 G180 D193 L195 D259 R261 G271 V272 L273	C179-F275 HydrophobicContact CB-CB 3.9Å; C179-F275 HydrophobicContact CB-CD2 3.99Å; C179-F275 HydrophobicContact CB-CG 4Å; C179-F275 WeakPolarHBondContact CB-O 3.42Å; G180-F275 WeakPolarHBondContact CA-O 3.34Å; G180-F275 PolarHBondContact N-O 3.14Å; D193-F275 HydrophobicContact CB-CD1 4.26Å; D193-F275 HydrophobicContact CB-CD2 4.34Å; D193-F275 HydrophobicContact CB-CE1 3.8Å; D193-F275 HydrophobicContact CB-CE2 3.89Å; D193-F275 HydrophobicContact CB-CZ 3.6Å; D193-F275 WeakPolarHBondContact OD1-CE1 3.47Å; D193-F275 WeakPolarHBondContact OD1-CZ 3.14Å; L195-F275 HydrophobicContact CB-CD2 4.02Å; L195-F275 HydrophobicContact CD1-CB 4.38Å; L195-F275 HydrophobicContact CD1-CD2 4.04Å; D259-F275 HydrophobicContact CB-CZ 4.2Å; R261-F275 HydrophobicContact CB-CD2 4.14Å; R261-F275 HydrophobicContact CB-CE2 3.68Å; R261-F275 HydrophobicContact CB-CZ 4.2Å; G271-F275 WeakPolarHBondContact O-CB 3.35Å; G271-F275 PolarHBondContact O-N 3.44Å; V272-F275 PolarHBondContact O-N 2.85Å; L273-F275 PolarHBondContact O-N 3.21Å
276	T	98.8	Very high	97.6	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-67.1	-38.9	169.6	-60.8	0	0	0	0	111.6	R183 R184 V272 Y274 P333	R183-T276 HydrophobicContact CB-CG2 4.46Å; R183-T276 WeakPolarHBondContact CD-OG1 3.33Å; R183-T276 HydrophobicContact CG-CG2 4.33Å; R183-T276 PolarHBondContact NH1-OG1 3.12Å; R184-T276 WeakPolarHBondContact CD-O 3.47Å; R184-T276 HydrophobicContact CG-CG2 3.84Å; R184-T276 PolarHBondContact NH1-O 3.19Å; V272-T276 WeakPolarHBondContact O-CB 3.14Å; V272-T276 PolarHBondContact O-N 3.27Å; V272-T276 PolarHBondContact O-OG1 3.49Å; Y274-T276 PolarHBondContact O-N 2.88Å; T276-P333 HydrophobicContact CG2-CB 3.87Å; T276-P333 HydrophobicContact CG2-CG 4.44Å
277	G	97.7	Very high	97.5	Very high	5 Å²	5	31.1 Å²	31.1	5%	0.052	15%	0.145	C	C	.	.			trans	63	-154.5	179.6	0	0	0	0	0	114.5	L273 Y274 R336	L273-G277 PolarHBondContact O-N 3.04Å; Y274-G277 PolarHBondContact O-N 3.37Å; G277-R336 VanDerWaalsContact O-CB 3.25Å; G277-R336 WeakPolarHBondContact O-CB 3.44Å
278	S	97.4	Very high	97.5	Very high	6 Å²	6	31.4 Å²	31.4	4%	0.042	15%	0.146	C	C	.	.			cis	-67	174	3.8	73.7	0	0	0	0	114.5	I280 F281 N282 R336 E338	S278-I280 VanDerWaalsContact C-N 3.29Å; S278-I280 PolarHBondContact O-N 3.39Å; S278-F281 WeakPolarHBondContact O-CB 3.46Å; S278-F281 PolarHBondContact O-N 3.47Å; S278-F281 PolarHBondContact OG-N 3.19Å; S278-N282 WeakPolarHBondContact O-CB 3.49Å; S278-N282 PolarHBondContact O-N 2.76Å; S278-R336 PolarHBondContact N-O 3.46Å; S278-R336 PolarHBondContact OG-O 2.88Å; S278-E338 PolarHBondContact OG-N 2.86Å; S278-E338 VanDerWaalsContact OG-N 3.16Å; S278-E338 PolarHBondContact OG-O 3.21Å
279	D	94.6	Very high	97.4	Very high	88 Å²	88	28.8 Å²	28.8	47%	0.471	14%	0.136	S	C	.	.	H	α-helix	trans	-56.6	-43.1	174	62.6	-37	0	0	0	111.8	R40 K283	R40-D279 IonicContact CZ-OD2 3.08Å; R40-D279 IonicContact NH2-OD1 3.28Å; R40-D279 PolarHBondContact NH2-OD1 3.44Å; R40-D279 IonicContact NH2-OD2 3.9Å; R40-D279 PolarHBondContact NH2-OD2 3.08Å; D279-K283 WeakPolarHBondContact O-CB 3.39Å; D279-K283 PolarHBondContact O-N 3.31Å; D279-K283 VanDerWaalsContact O-N 3.09Å
280	I	93.9	Very high	97.4	Very high	11 Å²	11	29.6 Å²	29.6	6%	0.056	15%	0.145	C	C	.	.	H	α-helix	trans	-67.4	-44.6	176.5	-62.6	178.5	0	0	0	110.4	R40 S278 N282 K283 N284 E338	R40-I280 HydrophobicContact CB-CD1 4.21Å; S278-I280 VanDerWaalsContact C-N 3.29Å; S278-I280 PolarHBondContact O-N 3.39Å; I280-N282 PolarHBondContact O-N 3.41Å; I280-K283 PolarHBondContact O-N 3.19Å; I280-N284 WeakPolarHBondContact O-CB 3.36Å; I280-N284 VanDerWaalsContact O-CG 3.31Å; I280-N284 PolarHBondContact O-N 3.14Å; I280-N284 PolarHBondContact O-ND2 3.11Å; I280-E338 HydrophobicContact CB-CB 3.98Å; I280-E338 HydrophobicContact CG2-CB 3.85Å
281	F	96.4	Very high	97.2	Very high	1 Å²	1	36.3 Å²	36.3	0%	0.004	18%	0.176	C	C	.	.	H	α-helix	trans	-55.1	-52.9	175.8	179.8	-100.8	0	0	0	111.5	L273 S278 K283 N284 M285 F323 R336 E338	L273-F281 HydrophobicContact CD1-CE1 4.12Å; S278-F281 WeakPolarHBondContact O-CB 3.46Å; S278-F281 PolarHBondContact O-N 3.47Å; S278-F281 PolarHBondContact OG-N 3.19Å; F281-K283 VanDerWaalsContact C-N 3.26Å; F281-K283 PolarHBondContact O-N 3.4Å; F281-N284 PolarHBondContact O-N 2.97Å; F281-M285 HydrophobicContact CE1-CB 4.39Å; F281-M285 HydrophobicContact CE1-SD 3.61Å; F281-M285 HydrophobicContact CZ-CB 4.49Å; F281-M285 HydrophobicContact CZ-SD 3.78Å; F281-M285 WeakPolarHBondContact O-CB 3.47Å; F281-M285 PolarHBondContact O-N 2.83Å; F281-F323 HydrophobicContact CE1-CZ 4.27Å; F281-F323 AromaticContact CZ-CE1 3.81Å; F281-F323 HydrophobicContact CZ-CE1 3.81Å; F281-F323 AromaticContact CZ-CZ 3.67Å; F281-F323 HydrophobicContact CZ-CZ 3.67Å; F281-R336 HydrophobicContact CB-CB 4.4Å; F281-R336 HydrophobicContact CD1-CB 4.08Å; F281-R336 HydrophobicContact CD1-CG 4.23Å; F281-R336 HydrophobicContact CD2-CB 3.91Å; F281-R336 HydrophobicContact CD2-CG 4.07Å; F281-R336 HydrophobicContact CE1-CB 4.4Å; F281-R336 HydrophobicContact CE1-CG 4.04Å; F281-R336 HydrophobicContact CE2-CB 4.24Å; F281-R336 HydrophobicContact CE2-CG 3.86Å; F281-R336 HydrophobicContact CG-CB 3.83Å; F281-R336 HydrophobicContact CG-CG 4.25Å; F281-R336 HydrophobicContact CZ-CB 4.49Å; F281-R336 HydrophobicContact CZ-CG 3.87Å; F281-E338 WeakPolarHBondContact CA-OE2 3.38Å; F281-E338 HydrophobicContact CB-CB 4.29Å; F281-E338 HydrophobicContact CB-CG 3.8Å; F281-E338 HydrophobicContact CD2-CG 4.01Å; F281-E338 HydrophobicContact CG-CG 4.4Å
282	N	98.1	Very high	97.2	Very high	18 Å²	18	40.2 Å²	40.2	10%	0.096	19%	0.193	C	C	.	.	H	α-helix	trans	-57.8	-42.8	-179.5	-77.4	-12.9	0	0	0	111.3	Y274 S278 I280 R286	Y274-N282 PolarHBondContact O-ND2 2.98Å; S278-N282 WeakPolarHBondContact O-CB 3.49Å; S278-N282 PolarHBondContact O-N 2.76Å; I280-N282 PolarHBondContact O-N 3.41Å; N282-R286 VanDerWaalsContact O-CB 3.31Å; N282-R286 WeakPolarHBondContact O-CB 3.24Å; N282-R286 WeakPolarHBondContact O-CG 3.49Å; N282-R286 PolarHBondContact O-N 2.91Å
283	K	95.8	Very high	97.1	Very high	83 Å²	83	41.6 Å²	41.6	36%	0.361	21%	0.207	S	C	.	.	H	α-helix	trans	-64.4	-48.6	178.9	-172.3	-176.7	175.3	-164.6	0	111.6	N37 D279 I280 F281 M285 R286 T287	N37-K283 PolarHBondContact ND2-NZ 2.9Å; N37-K283 PolarHBondContact OD1-NZ 3.28Å; D279-K283 WeakPolarHBondContact O-CB 3.39Å; D279-K283 PolarHBondContact O-N 3.31Å; D279-K283 VanDerWaalsContact O-N 3.09Å; I280-K283 PolarHBondContact O-N 3.19Å; F281-K283 VanDerWaalsContact C-N 3.26Å; F281-K283 PolarHBondContact O-N 3.4Å; K283-M285 PolarHBondContact O-N 2.83Å; K283-R286 PolarHBondContact O-N 2.77Å; K283-T287 PolarHBondContact O-N 2.88Å; K283-T287 PolarHBondContact O-OG1 3.09Å; K283-T287 VanDerWaalsContact O-OG1 3.12Å
284	N	94.5	Very high	97.1	Very high	36 Å²	36	43.1 Å²	43.1	19%	0.193	21%	0.214	C	C	.	.	H	α-helix	trans	-61.2	-45.2	178.4	-70	-20.2	0	0	0	111.1	I280 F281 R286 T287 H288 E338	I280-N284 WeakPolarHBondContact O-CB 3.36Å; I280-N284 VanDerWaalsContact O-CG 3.31Å; I280-N284 PolarHBondContact O-N 3.14Å; I280-N284 PolarHBondContact O-ND2 3.11Å; F281-N284 PolarHBondContact O-N 2.97Å; N284-R286 PolarHBondContact O-N 3.15Å; N284-T287 PolarHBondContact O-N 3.08Å; N284-H288 WeakPolarHBondContact O-CB 3.46Å; N284-H288 PolarHBondContact O-N 3.11Å; N284-E338 PolarHBondContact ND2-OE2 3.07Å
285	M	97.8	Very high	97.1	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-63.1	-41.8	178.2	-171.8	176.8	-176.4	0	0	112.2	L273 F281 K283 H288 A289 L296 I322 F323 I326 Y328	L273-M285 HydrophobicContact CD1-CE 4.46Å; L273-M285 HydrophobicContact CD1-SD 4.08Å; L273-M285 HydrophobicContact CD2-CE 3.7Å; L273-M285 HydrophobicContact CD2-SD 3.87Å; L273-M285 HydrophobicContact CG-SD 4.37Å; F281-M285 HydrophobicContact CE1-CB 4.39Å; F281-M285 HydrophobicContact CE1-SD 3.61Å; F281-M285 HydrophobicContact CZ-CB 4.49Å; F281-M285 HydrophobicContact CZ-SD 3.78Å; F281-M285 WeakPolarHBondContact O-CB 3.47Å; F281-M285 PolarHBondContact O-N 2.83Å; K283-M285 PolarHBondContact O-N 2.83Å; M285-H288 PolarHBondContact O-N 3.2Å; M285-A289 WeakPolarHBondContact O-CB 3.44Å; M285-A289 PolarHBondContact O-N 2.92Å; M285-L296 HydrophobicContact CE-CD2 4.29Å; M285-L296 HydrophobicContact CG-CD2 4.29Å; M285-L296 HydrophobicContact SD-CD2 4.33Å; M285-I322 HydrophobicContact CE-CB 4.44Å; M285-I322 HydrophobicContact CE-CG2 3.83Å; M285-F323 HydrophobicContact CE-CD1 4.11Å; M285-F323 HydrophobicContact CE-CD2 3.73Å; M285-F323 HydrophobicContact CE-CE1 4.16Å; M285-F323 HydrophobicContact CE-CE2 3.79Å; M285-F323 HydrophobicContact CE-CG 3.92Å; M285-F323 HydrophobicContact CE-CZ 4.01Å; M285-F323 HydrophobicContact SD-CE1 4.46Å; M285-F323 HydrophobicContact SD-CE2 4.45Å; M285-F323 HydrophobicContact SD-CZ 4.23Å; M285-I326 HydrophobicContact CE-CD1 3.61Å; M285-I326 HydrophobicContact CG-CD1 3.66Å; M285-Y328 HydrophobicContact CG-CD1 4.49Å
286	R	98.1	Very high	97.1	Very high	73 Å²	73	41.2 Å²	41.2	28%	0.275	21%	0.211	S	C	.	.	H	α-helix	trans	-67.7	-38.3	175.9	-72.2	174.2	-177.8	-169.4	-3.9	112.2	N282 K283 N284 A289 L290 L296	N282-R286 VanDerWaalsContact O-CB 3.31Å; N282-R286 WeakPolarHBondContact O-CB 3.24Å; N282-R286 WeakPolarHBondContact O-CG 3.49Å; N282-R286 PolarHBondContact O-N 2.91Å; K283-R286 PolarHBondContact O-N 2.77Å; N284-R286 PolarHBondContact O-N 3.15Å; R286-A289 WeakPolarHBondContact O-CB 3.41Å; R286-A289 PolarHBondContact O-N 3.06Å; R286-L290 WeakPolarHBondContact O-CG 3.38Å; R286-L290 PolarHBondContact O-N 2.84Å; R286-L290 VanDerWaalsContact O-N 3.07Å; R286-L296 WeakPolarHBondContact CD-O 3.4Å; R286-L296 HydrophobicContact CG-CB 4.25Å; R286-L296 HydrophobicContact CG-CD2 4.36Å; R286-L296 HydrophobicContact CG-CG 4.37Å; R286-L296 WeakPolarHBondContact CG-O 3.3Å; R286-L296 PolarHBondContact NE-O 3.47Å
287	T	96.3	Very high	97	Very high	62 Å²	62	43.6 Å²	43.6	38%	0.38	22%	0.224	S	C	.	.	H	α-helix	trans	-63.2	-46	173.6	-64.1	0	0	0	0	111.1	K283 N284 A289 L290 E291	K283-T287 PolarHBondContact O-N 2.88Å; K283-T287 PolarHBondContact O-OG1 3.09Å; K283-T287 VanDerWaalsContact O-OG1 3.12Å; N284-T287 PolarHBondContact O-N 3.08Å; T287-A289 VanDerWaalsContact C-N 3.31Å; T287-A289 PolarHBondContact O-N 3.27Å; T287-L290 WeakPolarHBondContact O-CB 3.32Å; T287-L290 PolarHBondContact O-N 3Å; T287-L290 VanDerWaalsContact O-N 3.16Å; T287-E291 WeakPolarHBondContact O-CG 3.38Å; T287-E291 PolarHBondContact O-N 3.27Å; T287-E291 VanDerWaalsContact O-N 3.09Å
288	H	96.8	Very high	97.1	Very high	35 Å²	35	45 Å²	45	16%	0.162	23%	0.23	C	C	.	.	H	α-helix	trans	-61.4	-38.5	174.6	-177.8	88.2	0	0	0	112.2	N284 M285 L290 E291 K292 I326	N284-H288 WeakPolarHBondContact O-CB 3.46Å; N284-H288 PolarHBondContact O-N 3.11Å; M285-H288 PolarHBondContact O-N 3.2Å; H288-L290 VanDerWaalsContact C-N 3.34Å; H288-L290 PolarHBondContact O-N 2.94Å; H288-E291 PolarHBondContact O-N 2.83Å; H288-K292 WeakPolarHBondContact O-CG 3.41Å; H288-K292 PolarHBondContact O-N 2.82Å; H288-I326 PolarHBondContact CD2-O 3.13Å; H288-I326 PolarHBondContact NE2-O 3.24Å
289	A	98	Very high	97.1	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-58.2	-45.5	173.6	0	0	0	0	0	111.5	M285 R286 T287 E291 K292 G293 F294 L296 I326	M285-A289 WeakPolarHBondContact O-CB 3.44Å; M285-A289 PolarHBondContact O-N 2.92Å; R286-A289 WeakPolarHBondContact O-CB 3.41Å; R286-A289 PolarHBondContact O-N 3.06Å; T287-A289 VanDerWaalsContact C-N 3.31Å; T287-A289 PolarHBondContact O-N 3.27Å; A289-E291 VanDerWaalsContact C-N 3.34Å; A289-E291 PolarHBondContact O-N 3.17Å; A289-K292 CarbonylContact O-C 3.41Å; A289-K292 WeakPolarHBondContact O-CA 3.46Å; A289-K292 PolarHBondContact O-N 3.1Å; A289-K292 VanDerWaalsContact O-N 3.07Å; A289-G293 PolarHBondContact O-N 3.02Å; A289-G293 VanDerWaalsContact O-N 3.14Å; A289-F294 CarbonylContact C-O 3.42Å; A289-F294 HydrophobicContact CB-CB 4.28Å; A289-F294 WeakPolarHBondContact O-CA 3.37Å; A289-F294 PolarHBondContact O-N 3.4Å; A289-L296 HydrophobicContact CB-CB 4.26Å; A289-I326 HydrophobicContact CB-CG2 3.75Å
290	L	97.6	Very high	97.3	Very high	95 Å²	95	44 Å²	44	50%	0.497	22%	0.219	S	C	.	.	H	α-helix	trans	-60.5	-43	176.9	-68.3	170.5	0	0	0	111.8	R286 T287 H288 K292 G293 F294 L304	R286-L290 WeakPolarHBondContact O-CG 3.38Å; R286-L290 PolarHBondContact O-N 2.84Å; R286-L290 VanDerWaalsContact O-N 3.07Å; T287-L290 WeakPolarHBondContact O-CB 3.32Å; T287-L290 PolarHBondContact O-N 3Å; T287-L290 VanDerWaalsContact O-N 3.16Å; H288-L290 VanDerWaalsContact C-N 3.34Å; H288-L290 PolarHBondContact O-N 2.94Å; L290-K292 PolarHBondContact O-N 3.17Å; L290-G293 PolarHBondContact O-N 3.03Å; L290-F294 WeakPolarHBondContact CA-O 3.49Å; L290-F294 PolarHBondContact N-O 2.86Å; L290-F294 VanDerWaalsContact N-O 3.09Å; L290-L304 HydrophobicContact CD2-CD1 3.86Å
291	E	96.3	Very high	97.5	Very high	144 Å²	144	43.4 Å²	43.4	67%	0.673	22%	0.217	S	C	*	.	H	α-helix	trans	-62.9	-29.3	175.8	-67.9	169.8	-172.8	0	0	112.5	T287 H288 A289 G293	T287-E291 WeakPolarHBondContact O-CG 3.38Å; T287-E291 PolarHBondContact O-N 3.27Å; T287-E291 VanDerWaalsContact O-N 3.09Å; H288-E291 PolarHBondContact O-N 2.83Å; A289-E291 VanDerWaalsContact C-N 3.34Å; A289-E291 PolarHBondContact O-N 3.17Å; E291-G293 VanDerWaalsContact C-N 3.31Å
292	K	97.4	Very high	97.6	Very high	82 Å²	82	47.4 Å²	47.4	36%	0.357	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	3.7	174.8	-66.4	-69.8	-177.4	179.4	0	113.8	H288 A289 L290 F294 I326	H288-K292 WeakPolarHBondContact O-CG 3.41Å; H288-K292 PolarHBondContact O-N 2.82Å; A289-K292 CarbonylContact O-C 3.41Å; A289-K292 WeakPolarHBondContact O-CA 3.46Å; A289-K292 PolarHBondContact O-N 3.1Å; A289-K292 VanDerWaalsContact O-N 3.07Å; L290-K292 PolarHBondContact O-N 3.17Å; K292-F294 HydrophobicContact CB-CD2 3.91Å; K292-F294 HydrophobicContact CB-CE2 4.25Å; K292-F294 VanDerWaalsContact O-CD2 3.27Å; K292-F294 WeakPolarHBondContact O-CD2 3.39Å; K292-F294 VanDerWaalsContact O-CE2 3.28Å; K292-F294 WeakPolarHBondContact O-CE2 3.47Å; K292-I326 WeakPolarHBondContact CG-O 3.43Å
293	G	97.4	Very high	97.6	Very high	29 Å²	29	48.7 Å²	48.7	30%	0.299	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.8	29.3	179.1	0	0	0	0	0	113.8	A289 L290 E291 P303 L304	A289-G293 PolarHBondContact O-N 3.02Å; A289-G293 VanDerWaalsContact O-N 3.14Å; L290-G293 PolarHBondContact O-N 3.03Å; E291-G293 VanDerWaalsContact C-N 3.31Å; G293-P303 CarbonylContact O-C 3.42Å; G293-L304 WeakPolarHBondContact O-CB 3.33Å; G293-L304 PolarHBondContact O-N 2.92Å
294	F	98.4	Very high	97.6	Very high	36 Å²	36	47.1 Å²	47.1	16%	0.158	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	153.5	175.4	-59.3	-85.5	0	0	0	111.4	A289 L290 K292 I301 R302 P303 L314 Y325 I326	A289-F294 CarbonylContact C-O 3.42Å; A289-F294 HydrophobicContact CB-CB 4.28Å; A289-F294 WeakPolarHBondContact O-CA 3.37Å; A289-F294 PolarHBondContact O-N 3.4Å; L290-F294 WeakPolarHBondContact CA-O 3.49Å; L290-F294 PolarHBondContact N-O 2.86Å; L290-F294 VanDerWaalsContact N-O 3.09Å; K292-F294 HydrophobicContact CB-CD2 3.91Å; K292-F294 HydrophobicContact CB-CE2 4.25Å; K292-F294 VanDerWaalsContact O-CD2 3.27Å; K292-F294 WeakPolarHBondContact O-CD2 3.39Å; K292-F294 VanDerWaalsContact O-CE2 3.28Å; K292-F294 WeakPolarHBondContact O-CE2 3.47Å; F294-I301 HydrophobicContact CB-CD1 4.11Å; F294-I301 HydrophobicContact CB-CG1 4.03Å; F294-I301 HydrophobicContact CD1-CD1 4.23Å; F294-I301 HydrophobicContact CD1-CG1 4.24Å; F294-I301 HydrophobicContact CG-CD1 4.18Å; F294-I301 HydrophobicContact CG-CG1 4.39Å; F294-R302 CarbonylContact C-O 3.53Å; F294-R302 VanDerWaalsContact CA-O 3.24Å; F294-R302 WeakPolarHBondContact CA-O 3.39Å; F294-P303 HydrophobicContact CD1-CB 4.29Å; F294-P303 HydrophobicContact CE1-CB 4.24Å; F294-L314 HydrophobicContact CD1-CD1 3.93Å; F294-L314 HydrophobicContact CE1-CD1 3.64Å; F294-Y325 VanDerWaalsContact CE2-O 3.23Å; F294-Y325 WeakPolarHBondContact CE2-O 3.15Å; F294-I326 HydrophobicContact CB-CG2 4.42Å; F294-I326 HydrophobicContact CD2-CG2 4.06Å; F294-I326 HydrophobicContact CG-CG2 4.43Å
295	T	98.3	Very high	97.4	Very high	46 Å²	46	47.3 Å²	47.3	28%	0.282	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	135.1	164.5	-176.4	0	0	0	0	109.5	I301 R302 L304 A310	T295-I301 WeakPolarHBondContact O-CA 3.31Å; T295-R302 HydrophobicContact CG2-CB 3.9Å; T295-R302 PolarHBondContact N-O 2.7Å; T295-R302 PolarHBondContact O-N 3.19Å; T295-L304 HydrophobicContact CG2-CD2 3.99Å; T295-A310 HydrophobicContact CG2-CB 3.77Å
296	L	98.5	Very high	97	Very high	14 Å²	14	54.8 Å²	54.8	7%	0.073	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	126	-175.2	174.2	65.4	0	0	0	109.8	L273 M285 R286 A289 I301 I322	L273-L296 HydrophobicContact CD2-CD2 4.17Å; M285-L296 HydrophobicContact CE-CD2 4.29Å; M285-L296 HydrophobicContact CG-CD2 4.29Å; M285-L296 HydrophobicContact SD-CD2 4.33Å; R286-L296 WeakPolarHBondContact CD-O 3.4Å; R286-L296 HydrophobicContact CG-CB 4.25Å; R286-L296 HydrophobicContact CG-CD2 4.36Å; R286-L296 HydrophobicContact CG-CG 4.37Å; R286-L296 WeakPolarHBondContact CG-O 3.3Å; R286-L296 PolarHBondContact NE-O 3.47Å; A289-L296 HydrophobicContact CB-CB 4.26Å; L296-I301 HydrophobicContact CD1-CB 3.94Å; L296-I301 HydrophobicContact CD1-CG1 4.47Å; L296-I322 HydrophobicContact CD1-CG2 3.76Å; L296-I322 HydrophobicContact CD2-CG2 3.88Å; L296-I322 HydrophobicContact CG-CG2 4.49Å
297	N	98.3	Very high	96.5	Very high	51 Å²	51	56 Å²	56	27%	0.273	31%	0.308	S	S	.	.			trans	-130	-172.9	171.1	66.1	22	0	0	0	110.5	Y299 T300	N297-Y299 PolarHBondContact O-N 3.36Å; N297-Y299 WeakPolarHBondContact OD1-CA 3.41Å; N297-Y299 WeakPolarHBondContact OD1-CB 3.49Å; N297-Y299 PolarHBondContact OD1-N 3.49Å; N297-T300 PolarHBondContact N-O 3.2Å; N297-T300 VanDerWaalsContact N-O 3.11Å; N297-T300 PolarHBondContact OD1-N 2.87Å; N297-T300 PolarHBondContact OD1-O 3.06Å
298	E	98.1	Very high	96.2	Very high	35 Å²	35	55.5 Å²	55.5	16%	0.164	32%	0.315	C	S	.	.	S	Bend	trans	-70.1	-4.3	-179.9	67.9	-95	-137.9	0	0	114.6	R261 I263 C270 G271 Y274	R261-E298 IonicContact CZ-OE1 3.68Å; R261-E298 IonicContact NH1-OE1 3.36Å; R261-E298 IonicContact NH2-OE1 2.68Å; R261-E298 PolarHBondContact NH2-OE1 2.84Å; I263-E298 HydrophobicContact CD1-CG 4.15Å; C270-E298 CarbonylContact C-O 3.43Å; G271-E298 VanDerWaalsContact CA-O 3.24Å; G271-E298 WeakPolarHBondContact CA-O 3.16Å; G271-E298 PolarHBondContact N-O 3.5Å; Y274-E298 HydrophobicContact CD1-CB 3.57Å; Y274-E298 HydrophobicContact CD1-CG 4.49Å; Y274-E298 HydrophobicContact CD2-CB 4.3Å; Y274-E298 HydrophobicContact CE1-CB 4.26Å; Y274-E298 HydrophobicContact CG-CB 3.57Å
299	Y	98.4	Very high	96	Very high	63 Å²	63	60.2 Å²	60.2	25%	0.247	34%	0.338	C	S	.	.	S	Bend	trans	-111.6	-45.3	-176.4	-56.6	-67.5	0	0	0	111.5	R261 I263 Q267 C270 N297	R261-Y299 PolarHBondContact NH2-OH 2.77Å; I263-Y299 HydrophobicContact CD1-CD1 3.76Å; I263-Y299 HydrophobicContact CD1-CE1 3.38Å; Q267-Y299 WeakPolarHBondContact CB-O 3.4Å; Q267-Y299 VanDerWaalsContact CG-O 3.32Å; Q267-Y299 WeakPolarHBondContact CG-O 3.49Å; Q267-Y299 VanDerWaalsContact OE1-CD1 3.31Å; C270-Y299 VanDerWaalsContact CB-C 3.48Å; C270-Y299 WeakPolarHBondContact CB-O 3.37Å; N297-Y299 PolarHBondContact O-N 3.36Å; N297-Y299 WeakPolarHBondContact OD1-CA 3.41Å; N297-Y299 WeakPolarHBondContact OD1-CB 3.49Å; N297-Y299 PolarHBondContact OD1-N 3.49Å
300	T	98.6	Very high	95.9	Very high	8 Å²	8	62.6 Å²	62.6	5%	0.049	36%	0.358	C	S	.	.			trans	-151	153.7	-168.4	60	0	0	0	0	111.8	N297 R302 P313	N297-T300 PolarHBondContact N-O 3.2Å; N297-T300 VanDerWaalsContact N-O 3.11Å; N297-T300 PolarHBondContact OD1-N 2.87Å; N297-T300 PolarHBondContact OD1-O 3.06Å; T300-R302 PolarHBondContact OG1-NE 3.36Å; T300-P313 HydrophobicContact CG2-CB 3.72Å; T300-P313 HydrophobicContact CG2-CG 3.84Å
301	I	98.6	Very high	95.8	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	134.1	155.6	-171.8	176.1	0	0	0	108.8	F294 T295 L296 L314 V316 I322 Y325 I326	F294-I301 HydrophobicContact CB-CD1 4.11Å; F294-I301 HydrophobicContact CB-CG1 4.03Å; F294-I301 HydrophobicContact CD1-CD1 4.23Å; F294-I301 HydrophobicContact CD1-CG1 4.24Å; F294-I301 HydrophobicContact CG-CD1 4.18Å; F294-I301 HydrophobicContact CG-CG1 4.39Å; T295-I301 WeakPolarHBondContact O-CA 3.31Å; L296-I301 HydrophobicContact CD1-CB 3.94Å; L296-I301 HydrophobicContact CD1-CG1 4.47Å; I301-L314 HydrophobicContact CG2-CB 4.04Å; I301-L314 HydrophobicContact CG2-CD1 4.2Å; I301-L314 HydrophobicContact CG2-CG 4.47Å; I301-L314 PolarHBondContact O-N 3.45Å; I301-V316 HydrophobicContact CG2-CG2 3.77Å; I301-I322 HydrophobicContact CD1-CG2 4.3Å; I301-Y325 HydrophobicContact CD1-CD2 4.28Å; I301-Y325 HydrophobicContact CD1-CG 4.34Å; I301-Y325 HydrophobicContact CG2-CD2 4.01Å; I301-Y325 HydrophobicContact CG2-CE2 4.33Å; I301-I326 HydrophobicContact CD1-CG2 3.82Å
302	R	98.6	Very high	95.9	Very high	84 Å²	84	60.2 Å²	60.2	32%	0.317	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	140	-177.8	-63.7	172.3	-170.5	-160.6	-1.8	110.2	F294 T295 T300 A310 G311	F294-R302 CarbonylContact C-O 3.53Å; F294-R302 VanDerWaalsContact CA-O 3.24Å; F294-R302 WeakPolarHBondContact CA-O 3.39Å; T295-R302 HydrophobicContact CG2-CB 3.9Å; T295-R302 PolarHBondContact N-O 2.7Å; T295-R302 PolarHBondContact O-N 3.19Å; T300-R302 PolarHBondContact OG1-NE 3.36Å; R302-A310 HydrophobicContact CB-CB 4.22Å; R302-G311 WeakPolarHBondContact CD-O 3.27Å
303	P	97.9	Very high	95.9	Very high	45 Å²	45	59.1 Å²	59.1	29%	0.292	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	149.2	171.5	31.3	-32.7	0	0	0	110	G293 F294 G311 E312 L314	G293-P303 CarbonylContact O-C 3.42Å; F294-P303 HydrophobicContact CD1-CB 4.29Å; F294-P303 HydrophobicContact CE1-CB 4.24Å; P303-G311 PolarHBondContact O-N 3.18Å; P303-E312 VanDerWaalsContact CD-O 3.22Å; P303-E312 WeakPolarHBondContact CD-O 3.45Å; P303-L314 HydrophobicContact CG-CD2 4.38Å
304	L	96.6	Very high	95.9	Very high	50 Å²	50	60 Å²	60	26%	0.262	35%	0.352	S	S	.	.	B	Isolated β-bridge	trans	-96.7	121.7	171	-65.6	174.2	0	0	0	108.6	L290 G293 T295 A310	L290-L304 HydrophobicContact CD2-CD1 3.86Å; G293-L304 WeakPolarHBondContact O-CB 3.33Å; G293-L304 PolarHBondContact O-N 2.92Å; T295-L304 HydrophobicContact CG2-CD2 3.99Å; L304-A310 HydrophobicContact CD2-CB 4.44Å
305	G	89.6	Confident	95.9	Very high	40 Å²	40	65.1 Å²	65.1	41%	0.412	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-68.5	173.7	173.5	0	0	0	0	0	112.1	T307 G308 M309	G305-T307 PolarHBondContact O-N 3.09Å; G305-G308 PolarHBondContact O-N 2.98Å; G305-M309 PolarHBondContact N-O 3.31Å
306	V	88.4	Confident	95.9	Very high	159 Å²	159	64 Å²	64	96%	0.964	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-22.9	178.8	-61.7	0	0	0	0	113.8
307	T	88.7	Confident	95.8	Very high	98 Å²	98	69 Å²	69	60%	0.601	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-4.6	177.2	56	0	0	0	0	113.7	G305 M309	G305-T307 PolarHBondContact O-N 3.09Å; T307-M309 VanDerWaalsContact C-N 3.27Å; T307-M309 PolarHBondContact O-N 2.83Å; T307-M309 WeakPolarHBondContact OG1-CE 3.22Å; T307-M309 PolarHBondContact OG1-N 2.76Å
308	G	89.2	Confident	95.8	Very high	51 Å²	51	68.2 Å²	68.2	53%	0.526	40%	0.398	S	S	.	.	S	Bend	trans	78.1	5.2	-171.5	0	0	0	0	0	114.4	G305	G305-G308 PolarHBondContact O-N 2.98Å
309	M	92.3	Very high	95.9	Very high	134 Å²	134	67.2 Å²	67.2	66%	0.66	39%	0.393	S	S	*	.			trans	-78.1	139	174.1	-66.4	-167	-68.1	0	0	111.1	G305 T307 G311	G305-M309 PolarHBondContact N-O 3.31Å; T307-M309 VanDerWaalsContact C-N 3.27Å; T307-M309 PolarHBondContact O-N 2.83Å; T307-M309 WeakPolarHBondContact OG1-CE 3.22Å; T307-M309 PolarHBondContact OG1-N 2.76Å; M309-G311 PolarHBondContact O-N 2.94Å
310	A	95.9	Very high	95.9	Very high	51 Å²	51	70.2 Å²	70.2	42%	0.421	40%	0.404	S	S	.	.	B	Isolated β-bridge	trans	-70	125.5	174.9	0	0	0	0	0	110.3	T295 R302 L304	T295-A310 HydrophobicContact CG2-CB 3.77Å; R302-A310 HydrophobicContact CB-CB 4.22Å; L304-A310 HydrophobicContact CD2-CB 4.44Å
311	G	96.6	Very high	95.9	Very high	29 Å²	29	71.6 Å²	71.6	30%	0.299	41%	0.411	S	S	.	.			trans	-78.5	-162.5	171.1	0	0	0	0	0	112.6	R302 P303 M309	R302-G311 WeakPolarHBondContact CD-O 3.27Å; P303-G311 PolarHBondContact O-N 3.18Å; M309-G311 PolarHBondContact O-N 2.94Å
312	E	97.2	Very high	95.9	Very high	159 Å²	159	71.6 Å²	71.6	74%	0.743	41%	0.411	S	S	*	.	S	Bend	trans	-67.7	151.3	179.9	-65.8	-53.5	130.2	0	0	112.8	P303 L314	P303-E312 VanDerWaalsContact CD-O 3.22Å; P303-E312 WeakPolarHBondContact CD-O 3.45Å; E312-L314 PolarHBondContact O-N 3.28Å
313	P	97.9	Very high	95.9	Very high	59 Å²	59	67.7 Å²	67.7	38%	0.383	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-55.3	133.7	172.4	-25	35.8	0	0	0	112.5	T300	T300-P313 HydrophobicContact CG2-CB 3.72Å; T300-P313 HydrophobicContact CG2-CG 3.84Å
314	L	97.8	Very high	95.9	Very high	49 Å²	49	71.2 Å²	71.2	26%	0.257	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-78.1	154.2	169.6	-55.1	174.5	0	0	0	110.2	F294 I301 P303 E312 Y325	F294-L314 HydrophobicContact CD1-CD1 3.93Å; F294-L314 HydrophobicContact CE1-CD1 3.64Å; I301-L314 HydrophobicContact CG2-CB 4.04Å; I301-L314 HydrophobicContact CG2-CD1 4.2Å; I301-L314 HydrophobicContact CG2-CG 4.47Å; I301-L314 PolarHBondContact O-N 3.45Å; P303-L314 HydrophobicContact CG-CD2 4.38Å; E312-L314 PolarHBondContact O-N 3.28Å; L314-Y325 HydrophobicContact CB-CE1 4.45Å; L314-Y325 HydrophobicContact CB-CE2 3.92Å; L314-Y325 HydrophobicContact CD1-CD1 3.79Å; L314-Y325 HydrophobicContact CD1-CD2 4.12Å; L314-Y325 HydrophobicContact CD1-CE1 3.84Å; L314-Y325 HydrophobicContact CD1-CE2 4.14Å; L314-Y325 HydrophobicContact CD1-CG 3.96Å
315	L	97.4	Very high	96	Very high	143 Å²	143	72.7 Å²	72.7	75%	0.749	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-68.1	131.1	174.1	-175.1	66.9	0	0	0	109.7	Y325	L315-Y325 WeakPolarHBondContact O-CE2 3.44Å; L315-Y325 PolarHBondContact O-OH 3.23Å
316	V	98.4	Very high	96.4	Very high	23 Å²	23	70.8 Å²	70.8	14%	0.139	39%	0.392	C	S	.	.			trans	-134.7	113.6	177.8	179.6	0	0	0	0	108	Y269 I301 S318 D321 I322 Y325	Y269-V316 HydrophobicContact CD2-CG1 4.36Å; Y269-V316 HydrophobicContact CG-CG1 4.38Å; I301-V316 HydrophobicContact CG2-CG2 3.77Å; V316-S318 VanDerWaalsContact CG1-O 3.25Å; V316-S318 WeakPolarHBondContact CG1-O 3.36Å; V316-D321 HydrophobicContact CG1-CB 4.41Å; V316-I322 HydrophobicContact CG1-CD1 3.95Å; V316-I322 HydrophobicContact CG1-CG1 3.61Å; V316-I322 HydrophobicContact CG2-CG1 4.2Å; V316-Y325 HydrophobicContact CG2-CE2 4.4Å
317	D	97.9	Very high	96.8	Very high	119 Å²	119	70 Å²	70	64%	0.636	38%	0.378	S	S	*	.	S	Bend	trans	-116.4	3.4	177.7	-161.1	29.2	0	0	0	112.4	Y269 D321	Y269-D317 VanDerWaalsContact CD2-C 3.43Å; Y269-D317 WeakPolarHBondContact CE2-O 3.25Å; Y269-D317 PolarHBondContact OH-O 3.34Å; Y269-D317 VanDerWaalsContact OH-O 3.09Å; D317-D321 PolarHBondContact N-OD2 3.5Å
318	S	98.6	Very high	97	Very high	33 Å²	33	69 Å²	69	23%	0.231	36%	0.364	C	S	.	.	S	Bend	trans	-153.8	161.8	168.6	82.6	0	0	0	0	112.1	V316 R320 D321	V316-S318 VanDerWaalsContact CG1-O 3.25Å; V316-S318 WeakPolarHBondContact CG1-O 3.36Å; S318-R320 PolarHBondContact O-N 2.84Å; S318-R320 WeakPolarHBondContact OG-CB 3.38Å; S318-R320 PolarHBondContact OG-N 3.02Å; S318-D321 PolarHBondContact N-OD2 2.9Å; S318-D321 VanDerWaalsContact N-OD2 3.08Å; S318-D321 PolarHBondContact O-N 2.82Å; S318-D321 VanDerWaalsContact OG-CG 3.31Å; S318-D321 PolarHBondContact OG-N 2.68Å; S318-D321 VanDerWaalsContact OG-N 3.12Å; S318-D321 PolarHBondContact OG-OD1 3.5Å
319	E	98.6	Very high	97.3	Very high	15 Å²	15	77.2 Å²	77.2	7%	0.07	38%	0.379	C	S	.	.	H	α-helix	trans	-57.5	-32.8	167	-71.7	-176.2	-119.6	0	0	111.2	R183 Y269 V272 I322 F323 Y330 R336	R183-E319 IonicContact CZ-OE1 3.54Å; R183-E319 VanDerWaalsContact CZ-OE1 3.26Å; R183-E319 IonicContact NH1-OE1 2.7Å; R183-E319 PolarHBondContact NH1-OE1 2.81Å; R183-E319 IonicContact NH1-OE2 3.32Å; R183-E319 IonicContact NH2-OE1 3.54Å; R183-E319 PolarHBondContact NH2-OE1 3.1Å; Y269-E319 HydrophobicContact CD1-CG 4.32Å; V272-E319 HydrophobicContact CG1-CG 3.77Å; E319-I322 PolarHBondContact O-N 3.17Å; E319-F323 VanDerWaalsContact O-CD2 3.24Å; E319-F323 WeakPolarHBondContact O-CD2 2.97Å; E319-Y330 HydrophobicContact CB-CE2 4.07Å; E319-R336 IonicContact OE2-CZ 3.63Å; E319-R336 IonicContact OE2-NH1 3.55Å; E319-R336 PolarHBondContact OE2-NH1 3.09Å; E319-R336 IonicContact OE2-NH2 3.44Å; E319-R336 PolarHBondContact OE2-NH2 2.59Å
320	R	98.6	Very high	97.6	Very high	125 Å²	125	73.5 Å²	73.5	47%	0.472	36%	0.358	S	S	.	.	H	α-helix	trans	-66.9	-36.3	-176	-178.5	-180	-69.3	-165.6	1	112.3	S318 I322 F323 E324 Y330	S318-R320 PolarHBondContact O-N 2.84Å; S318-R320 WeakPolarHBondContact OG-CB 3.38Å; S318-R320 PolarHBondContact OG-N 3.02Å; R320-I322 PolarHBondContact O-N 3Å; R320-F323 WeakPolarHBondContact O-CA 3.2Å; R320-F323 WeakPolarHBondContact O-CB 3.34Å; R320-F323 PolarHBondContact O-N 3.45Å; R320-E324 VanDerWaalsContact CD-OE1 3.29Å; R320-E324 WeakPolarHBondContact CD-OE1 3.47Å; R320-E324 HydrophobicContact CG-CG 4.15Å; R320-E324 WeakPolarHBondContact CG-OE1 3.3Å; R320-E324 WeakPolarHBondContact O-CG 3.16Å; R320-E324 PolarHBondContact O-N 2.99Å; R320-Y330 HydrophobicContact CB-CD2 3.86Å; R320-Y330 HydrophobicContact CB-CE2 4.14Å; R320-Y330 HydrophobicContact CB-CG 4.42Å; R320-Y330 HydrophobicContact CG-CD2 4.11Å; R320-Y330 HydrophobicContact CG-CG 4.29Å
321	D	98.6	Very high	97.7	Very high	38 Å²	38	73.8 Å²	73.8	20%	0.203	35%	0.348	C	S	.	.	H	α-helix	trans	-55.8	-40.4	178.8	-55.6	-2.5	0	0	0	110.8	V316 D317 S318 F323 E324 Y325	V316-D321 HydrophobicContact CG1-CB 4.41Å; D317-D321 PolarHBondContact N-OD2 3.5Å; S318-D321 PolarHBondContact N-OD2 2.9Å; S318-D321 VanDerWaalsContact N-OD2 3.08Å; S318-D321 PolarHBondContact O-N 2.82Å; S318-D321 VanDerWaalsContact OG-CG 3.31Å; S318-D321 PolarHBondContact OG-N 2.68Å; S318-D321 VanDerWaalsContact OG-N 3.12Å; S318-D321 PolarHBondContact OG-OD1 3.5Å; D321-F323 VanDerWaalsContact C-N 3.31Å; D321-F323 PolarHBondContact O-N 3.45Å; D321-E324 PolarHBondContact O-N 3.38Å; D321-E324 VanDerWaalsContact O-N 3.16Å; D321-Y325 HydrophobicContact CB-CE2 4.33Å; D321-Y325 WeakPolarHBondContact O-CD2 3.22Å; D321-Y325 PolarHBondContact O-N 2.91Å
322	I	98.7	Very high	97.8	Very high	0 Å²	0	76.5 Å²	76.5	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-61.5	-40.9	178.2	-50.5	173	0	0	0	110.7	L273 M285 L296 I301 V316 E319 R320 I326	L273-I322 HydrophobicContact CB-CD1 4.31Å; L273-I322 HydrophobicContact CD2-CB 4.11Å; L273-I322 HydrophobicContact CD2-CD1 3.59Å; L273-I322 HydrophobicContact CD2-CG1 4.45Å; L273-I322 HydrophobicContact CD2-CG2 3.7Å; M285-I322 HydrophobicContact CE-CB 4.44Å; M285-I322 HydrophobicContact CE-CG2 3.83Å; L296-I322 HydrophobicContact CD1-CG2 3.76Å; L296-I322 HydrophobicContact CD2-CG2 3.88Å; L296-I322 HydrophobicContact CG-CG2 4.49Å; I301-I322 HydrophobicContact CD1-CG2 4.3Å; V316-I322 HydrophobicContact CG1-CD1 3.95Å; V316-I322 HydrophobicContact CG1-CG1 3.61Å; V316-I322 HydrophobicContact CG2-CG1 4.2Å; E319-I322 PolarHBondContact O-N 3.17Å; R320-I322 PolarHBondContact O-N 3Å; I322-I326 WeakPolarHBondContact O-CG1 3.43Å
323	F	98.6	Very high	97.8	Very high	1 Å²	1	69.7 Å²	69.7	0%	0.004	32%	0.323	C	S	.	.	H	α-helix	trans	-68.4	-39.2	176	-75	-105.9	0	0	0	111.5	L273 F281 M285 E319 R320 D321 I326 Q327 Y328 R329 Y330 R331	L273-F323 HydrophobicContact CD1-CE2 3.87Å; L273-F323 HydrophobicContact CD1-CZ 4.21Å; F281-F323 HydrophobicContact CE1-CZ 4.27Å; F281-F323 AromaticContact CZ-CE1 3.81Å; F281-F323 HydrophobicContact CZ-CE1 3.81Å; F281-F323 AromaticContact CZ-CZ 3.67Å; F281-F323 HydrophobicContact CZ-CZ 3.67Å; M285-F323 HydrophobicContact CE-CD1 4.11Å; M285-F323 HydrophobicContact CE-CD2 3.73Å; M285-F323 HydrophobicContact CE-CE1 4.16Å; M285-F323 HydrophobicContact CE-CE2 3.79Å; M285-F323 HydrophobicContact CE-CG 3.92Å; M285-F323 HydrophobicContact CE-CZ 4.01Å; M285-F323 HydrophobicContact SD-CE1 4.46Å; M285-F323 HydrophobicContact SD-CE2 4.45Å; M285-F323 HydrophobicContact SD-CZ 4.23Å; E319-F323 VanDerWaalsContact O-CD2 3.24Å; E319-F323 WeakPolarHBondContact O-CD2 2.97Å; R320-F323 WeakPolarHBondContact O-CA 3.2Å; R320-F323 WeakPolarHBondContact O-CB 3.34Å; R320-F323 PolarHBondContact O-N 3.45Å; D321-F323 VanDerWaalsContact C-N 3.31Å; D321-F323 PolarHBondContact O-N 3.45Å; F323-I326 WeakPolarHBondContact O-CG1 3.34Å; F323-I326 PolarHBondContact O-N 2.86Å; F323-Q327 PolarHBondContact O-N 2.54Å; F323-Y328 CarbonylContact C-O 3.6Å; F323-Y328 WeakPolarHBondContact CB-O 3.37Å; F323-Y328 PolarHBondContact O-N 3.32Å; F323-R329 WeakPolarHBondContact CD1-O 3.44Å; F323-Y330 HydrophobicContact CB-CD2 4.46Å; F323-Y330 HydrophobicContact CD1-CD2 4.48Å; F323-Y330 AromaticContact CD2-CD2 3.68Å; F323-Y330 HydrophobicContact CD2-CD2 3.68Å; F323-Y330 HydrophobicContact CD2-CE2 4.06Å; F323-Y330 AromaticContact CE2-CD2 3.91Å; F323-Y330 HydrophobicContact CE2-CD2 3.91Å; F323-Y330 AromaticContact CE2-CE2 3.94Å; F323-Y330 HydrophobicContact CE2-CE2 3.94Å; F323-Y330 AromaticContact CG-CD2 3.98Å; F323-Y330 HydrophobicContact CG-CD2 3.98Å; F323-Y330 HydrophobicContact CZ-CD2 4.4Å; F323-R331 HydrophobicContact CE1-CB 4.16Å
324	E	98.4	Very high	97.8	Very high	119 Å²	119	73.6 Å²	73.6	56%	0.556	33%	0.334	S	S	*	.	H	α-helix	trans	-65.5	-44.5	179.9	-70.7	178.2	-176.8	0	0	112	R320 D321 I326 Q327	R320-E324 VanDerWaalsContact CD-OE1 3.29Å; R320-E324 WeakPolarHBondContact CD-OE1 3.47Å; R320-E324 HydrophobicContact CG-CG 4.15Å; R320-E324 WeakPolarHBondContact CG-OE1 3.3Å; R320-E324 WeakPolarHBondContact O-CG 3.16Å; R320-E324 PolarHBondContact O-N 2.99Å; D321-E324 PolarHBondContact O-N 3.38Å; D321-E324 VanDerWaalsContact O-N 3.16Å; E324-I326 PolarHBondContact O-N 3.33Å; E324-Q327 PolarHBondContact O-N 2.84Å
325	Y	98.3	Very high	97.7	Very high	81 Å²	81	75.3 Å²	75.3	32%	0.318	34%	0.343	S	S	.	.	H	α-helix	trans	-54.4	-41.8	176.7	-77.7	-53.6	0	0	0	112.8	F294 I301 L314 L315 V316 D321 Q327	F294-Y325 VanDerWaalsContact CE2-O 3.23Å; F294-Y325 WeakPolarHBondContact CE2-O 3.15Å; I301-Y325 HydrophobicContact CD1-CD2 4.28Å; I301-Y325 HydrophobicContact CD1-CG 4.34Å; I301-Y325 HydrophobicContact CG2-CD2 4.01Å; I301-Y325 HydrophobicContact CG2-CE2 4.33Å; L314-Y325 HydrophobicContact CB-CE1 4.45Å; L314-Y325 HydrophobicContact CB-CE2 3.92Å; L314-Y325 HydrophobicContact CD1-CD1 3.79Å; L314-Y325 HydrophobicContact CD1-CD2 4.12Å; L314-Y325 HydrophobicContact CD1-CE1 3.84Å; L314-Y325 HydrophobicContact CD1-CE2 4.14Å; L314-Y325 HydrophobicContact CD1-CG 3.96Å; L315-Y325 WeakPolarHBondContact O-CE2 3.44Å; L315-Y325 PolarHBondContact O-OH 3.23Å; V316-Y325 HydrophobicContact CG2-CE2 4.4Å; D321-Y325 HydrophobicContact CB-CE2 4.33Å; D321-Y325 WeakPolarHBondContact O-CD2 3.22Å; D321-Y325 PolarHBondContact O-N 2.91Å; Y325-Q327 VanDerWaalsContact C-N 3.28Å; Y325-Q327 PolarHBondContact O-N 3.36Å
326	I	97.9	Very high	97.7	Very high	0 Å²	0	68.5 Å²	68.5	0%	0	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	11.3	-179.3	68	175.5	0	0	0	112.5	M285 H288 A289 K292 F294 I301 I322 F323 E324 Y328	M285-I326 HydrophobicContact CE-CD1 3.61Å; M285-I326 HydrophobicContact CG-CD1 3.66Å; H288-I326 PolarHBondContact CD2-O 3.13Å; H288-I326 PolarHBondContact NE2-O 3.24Å; A289-I326 HydrophobicContact CB-CG2 3.75Å; K292-I326 WeakPolarHBondContact CG-O 3.43Å; F294-I326 HydrophobicContact CB-CG2 4.42Å; F294-I326 HydrophobicContact CD2-CG2 4.06Å; F294-I326 HydrophobicContact CG-CG2 4.43Å; I301-I326 HydrophobicContact CD1-CG2 3.82Å; I322-I326 WeakPolarHBondContact O-CG1 3.43Å; F323-I326 WeakPolarHBondContact O-CG1 3.34Å; F323-I326 PolarHBondContact O-N 2.86Å; E324-I326 PolarHBondContact O-N 3.33Å; I326-Y328 VanDerWaalsContact C-N 3.3Å; I326-Y328 HydrophobicContact CD1-CD1 3.98Å; I326-Y328 PolarHBondContact O-N 3Å
327	Q	97.8	Very high	97.4	Very high	143 Å²	143	70.1 Å²	70.1	67%	0.668	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	45.6	179.2	-56.7	172	-0.8	0	0	112.7	F323 E324 Y325	F323-Q327 PolarHBondContact O-N 2.54Å; E324-Q327 PolarHBondContact O-N 2.84Å; Y325-Q327 VanDerWaalsContact C-N 3.28Å; Y325-Q327 PolarHBondContact O-N 3.36Å
328	Y	92.9	Very high	96.9	Very high	78 Å²	78	66.3 Å²	66.3	31%	0.306	30%	0.298	S	S	.	.			trans	-118	137.6	-177.4	-146.2	-169.5	0	0	0	109.5	M285 F323 I326 Y330	M285-Y328 HydrophobicContact CG-CD1 4.49Å; F323-Y328 CarbonylContact C-O 3.6Å; F323-Y328 WeakPolarHBondContact CB-O 3.37Å; F323-Y328 PolarHBondContact O-N 3.32Å; I326-Y328 VanDerWaalsContact C-N 3.3Å; I326-Y328 HydrophobicContact CD1-CD1 3.98Å; I326-Y328 PolarHBondContact O-N 3Å; Y328-Y330 PolarHBondContact O-N 3.02Å
329	R	95.6	Very high	96.9	Very high	223 Å²	223	68 Å²	68	84%	0.842	30%	0.302	S	S	*	.			trans	-64.9	132	179.2	-176.9	179.7	175.9	-180	0.2	108.7	F323 R331	F323-R329 WeakPolarHBondContact CD1-O 3.44Å; R329-R331 PolarHBondContact O-N 3.21Å
330	Y	98	Very high	96.8	Very high	55 Å²	55	70.8 Å²	70.8	22%	0.216	31%	0.314	C	S	.	.			trans	-56.2	133.3	174.9	-173.4	-106.7	0	0	0	110.8	E319 R320 F323 Y328 E332 R336	E319-Y330 HydrophobicContact CB-CE2 4.07Å; R320-Y330 HydrophobicContact CB-CD2 3.86Å; R320-Y330 HydrophobicContact CB-CE2 4.14Å; R320-Y330 HydrophobicContact CB-CG 4.42Å; R320-Y330 HydrophobicContact CG-CD2 4.11Å; R320-Y330 HydrophobicContact CG-CG 4.29Å; F323-Y330 HydrophobicContact CB-CD2 4.46Å; F323-Y330 HydrophobicContact CD1-CD2 4.48Å; F323-Y330 AromaticContact CD2-CD2 3.68Å; F323-Y330 HydrophobicContact CD2-CD2 3.68Å; F323-Y330 HydrophobicContact CD2-CE2 4.06Å; F323-Y330 AromaticContact CE2-CD2 3.91Å; F323-Y330 HydrophobicContact CE2-CD2 3.91Å; F323-Y330 AromaticContact CE2-CE2 3.94Å; F323-Y330 HydrophobicContact CE2-CE2 3.94Å; F323-Y330 AromaticContact CG-CD2 3.98Å; F323-Y330 HydrophobicContact CG-CD2 3.98Å; F323-Y330 HydrophobicContact CZ-CD2 4.4Å; Y328-Y330 PolarHBondContact O-N 3.02Å; Y330-E332 HydrophobicContact CE1-CG 4.5Å; Y330-E332 WeakPolarHBondContact CE1-OE1 3.49Å; Y330-R336 PolarHBondContact OH-NH2 3.15Å
331	R	97.5	Very high	96.7	Very high	57 Å²	57	67.8 Å²	67.8	22%	0.215	31%	0.305	C	S	.	.			trans	-121	127.2	176	-72.4	170.6	68.2	-174.5	2.1	108.1	F323 R329 D335 R336 E338	F323-R331 HydrophobicContact CE1-CB 4.16Å; R329-R331 PolarHBondContact O-N 3.21Å; R331-D335 HydrophobicContact CB-CB 4.28Å; R331-D335 VanDerWaalsContact CZ-O 3.27Å; R331-D335 PolarHBondContact NE-O 2.89Å; R331-D335 PolarHBondContact NH2-O 2.79Å; R331-R336 HydrophobicContact CB-CG 4.31Å; R331-R336 VanDerWaalsContact O-CZ 3.25Å; R331-R336 PolarHBondContact O-NE 3.42Å; R331-R336 PolarHBondContact O-NH2 3.34Å; R331-E338 IonicContact CZ-OE1 3.32Å; R331-E338 IonicContact NH1-OE1 3.21Å; R331-E338 PolarHBondContact NH1-OE1 3.37Å; R331-E338 IonicContact NH2-OE1 3.74Å; R331-E338 PolarHBondContact NH2-OE1 3.21Å
332	E	98.3	Very high	96.6	Very high	86 Å²	86	69.5 Å²	69.5	40%	0.402	31%	0.311	S	S	.	.			trans	-61.6	153.6	174	-64.4	-61.6	158	0	0	110.1	Y330 K334 D335 R336	Y330-E332 HydrophobicContact CE1-CG 4.5Å; Y330-E332 WeakPolarHBondContact CE1-OE1 3.49Å; E332-K334 HydrophobicContact CB-CG 4.09Å; E332-K334 PolarHBondContact O-N 3.32Å; E332-K334 VanDerWaalsContact O-N 3.1Å; E332-D335 WeakPolarHBondContact O-CA 3.31Å; E332-D335 WeakPolarHBondContact O-CB 3.45Å; E332-D335 PolarHBondContact O-N 3.3Å; E332-R336 WeakPolarHBondContact O-CG 3.25Å
333	P	98.4	Very high	96.4	Very high	17 Å²	17	73.9 Å²	73.9	11%	0.11	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-47.1	-42.2	178.5	-33.1	38.4	0	0	0	114.5	R183 R184 T276 D335 R336	R183-P333 HydrophobicContact CG-CB 4.36Å; R183-P333 VanDerWaalsContact O-CB 3.31Å; R183-P333 WeakPolarHBondContact O-CB 3.49Å; R184-P333 WeakPolarHBondContact CB-O 3.27Å; R184-P333 VanDerWaalsContact CG-O 3.27Å; R184-P333 WeakPolarHBondContact CG-O 3.29Å; T276-P333 HydrophobicContact CG2-CB 3.87Å; T276-P333 HydrophobicContact CG2-CG 4.44Å; P333-D335 PolarHBondContact O-N 3.04Å; P333-R336 WeakPolarHBondContact O-CB 3.33Å; P333-R336 PolarHBondContact O-N 3.24Å
334	K	97.4	Very high	96.3	Very high	141 Å²	141	78.7 Å²	78.7	61%	0.613	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-60.7	-27.8	177.8	64.5	-179.1	178.7	-176.6	0	114.5	R184 E332 R336	R184-K334 VanDerWaalsContact O-CA 3.26Å; R184-K334 WeakPolarHBondContact O-CA 3.49Å; E332-K334 HydrophobicContact CB-CG 4.09Å; E332-K334 PolarHBondContact O-N 3.32Å; E332-K334 VanDerWaalsContact O-N 3.1Å; K334-R336 VanDerWaalsContact C-N 3.27Å; K334-R336 PolarHBondContact O-N 2.94Å
335	D	95.5	Very high	96.1	Very high	85 Å²	85	75.9 Å²	75.9	46%	0.455	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-87.4	3	179.9	-57.1	-43.1	0	0	0	111.7	R331 E332 P333	R331-D335 HydrophobicContact CB-CB 4.28Å; R331-D335 VanDerWaalsContact CZ-O 3.27Å; R331-D335 PolarHBondContact NE-O 2.89Å; R331-D335 PolarHBondContact NH2-O 2.79Å; E332-D335 WeakPolarHBondContact O-CA 3.31Å; E332-D335 WeakPolarHBondContact O-CB 3.45Å; E332-D335 PolarHBondContact O-N 3.3Å; P333-D335 PolarHBondContact O-N 3.04Å
336	R	96.5	Very high	96	Very high	0 Å²	0	75.5 Å²	75.5	0%	0	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-103.4	9.2	-177.8	-54.1	174.9	-164.1	170.7	2.6	113.9	G277 S278 F281 E319 Y330 R331 E332 P333 K334 E338	G277-R336 VanDerWaalsContact O-CB 3.25Å; G277-R336 WeakPolarHBondContact O-CB 3.44Å; S278-R336 PolarHBondContact N-O 3.46Å; S278-R336 PolarHBondContact OG-O 2.88Å; F281-R336 HydrophobicContact CB-CB 4.4Å; F281-R336 HydrophobicContact CD1-CB 4.08Å; F281-R336 HydrophobicContact CD1-CG 4.23Å; F281-R336 HydrophobicContact CD2-CB 3.91Å; F281-R336 HydrophobicContact CD2-CG 4.07Å; F281-R336 HydrophobicContact CE1-CB 4.4Å; F281-R336 HydrophobicContact CE1-CG 4.04Å; F281-R336 HydrophobicContact CE2-CB 4.24Å; F281-R336 HydrophobicContact CE2-CG 3.86Å; F281-R336 HydrophobicContact CG-CB 3.83Å; F281-R336 HydrophobicContact CG-CG 4.25Å; F281-R336 HydrophobicContact CZ-CB 4.49Å; F281-R336 HydrophobicContact CZ-CG 3.87Å; E319-R336 IonicContact OE2-CZ 3.63Å; E319-R336 IonicContact OE2-NH1 3.55Å; E319-R336 PolarHBondContact OE2-NH1 3.09Å; E319-R336 IonicContact OE2-NH2 3.44Å; E319-R336 PolarHBondContact OE2-NH2 2.59Å; Y330-R336 PolarHBondContact OH-NH2 3.15Å; R331-R336 HydrophobicContact CB-CG 4.31Å; R331-R336 VanDerWaalsContact O-CZ 3.25Å; R331-R336 PolarHBondContact O-NE 3.42Å; R331-R336 PolarHBondContact O-NH2 3.34Å; E332-R336 WeakPolarHBondContact O-CG 3.25Å; P333-R336 WeakPolarHBondContact O-CB 3.33Å; P333-R336 PolarHBondContact O-N 3.24Å; K334-R336 VanDerWaalsContact C-N 3.27Å; K334-R336 PolarHBondContact O-N 2.94Å; R336-E338 VanDerWaalsContact C-N 3.26Å; R336-E338 PolarHBondContact O-N 2.92Å
337	S	92.5	Very high	95.8	Very high	57 Å²	57	81.8 Å²	81.8	40%	0.399	37%	0.367	S	S	.	.			trans	-75.6	82.2	172.1	-67.4	0	0	0	0	109.5	R184	R184-S337 PolarHBondContact NE-OG 3.15Å
338	E	89.1	Confident	95.6	Very high	39 Å²	39	76.2 Å²	76.2	18%	0.182	34%	0.34	C	S	.	.			trans	-95.4	0	175.9	-50.5	-151	145.8	0	0	113.3	S44 K48 S278 I280 F281 N284 R331 R336	S44-E338 WeakPolarHBondContact CB-OXT 3.04Å; S44-E338 PolarHBondContact OG-OXT 3.14Å; S44-E338 VanDerWaalsContact OG-OXT 3.1Å; K48-E338 VanDerWaalsContact NZ-CA 3.26Å; K48-E338 IonicContact NZ-OE1 2.84Å; K48-E338 PolarHBondContact NZ-OE1 3.37Å; K48-E338 IonicContact NZ-OE2 3.63Å; S278-E338 PolarHBondContact OG-N 2.86Å; S278-E338 VanDerWaalsContact OG-N 3.16Å; S278-E338 PolarHBondContact OG-O 3.21Å; I280-E338 HydrophobicContact CB-CB 3.98Å; I280-E338 HydrophobicContact CG2-CB 3.85Å; F281-E338 WeakPolarHBondContact CA-OE2 3.38Å; F281-E338 HydrophobicContact CB-CB 4.29Å; F281-E338 HydrophobicContact CB-CG 3.8Å; F281-E338 HydrophobicContact CD2-CG 4.01Å; F281-E338 HydrophobicContact CG-CG 4.4Å; N284-E338 PolarHBondContact ND2-OE2 3.07Å; R331-E338 IonicContact CZ-OE1 3.32Å; R331-E338 IonicContact NH1-OE1 3.21Å; R331-E338 PolarHBondContact NH1-OE1 3.37Å; R331-E338 IonicContact NH2-OE1 3.74Å; R331-E338 PolarHBondContact NH2-OE1 3.21Å; R336-E338 VanDerWaalsContact C-N 3.26Å; R336-E338 PolarHBondContact O-N 2.92Å

Retrieved 338 of 338 residues in 359.3 ms (Link to these results)

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