A0A096NBT9_PAPAN Loading...

tRNA-dihydrouridine(20) synthase [NAD(P)+]-like

Catalyzes the NADPH-dependent synthesis of dihydrouridine, a modified base found in the D-loop of most tRNAs. Specifically modifies U20 in cytoplasmic tRNAs. Activity depends on the presence of guanosine at position 19 in the tRNA substrate. Negatively regulates the activation of EIF2AK2/PKR.

AlphaFold DB (F7EII2), UniProt , Accession A0A096NBT9, Species PAPAN (Papio anubis, Olive baboon), Gene DUS2, Length 493 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	33	Very low	64.1	Low	235 Å²	235	111.2 Å²	111.2	100%	1.158	61%	0.605	S	S	*	*				0	114	0	-74.3	179.2	-151.5	0	0	108.1	L3	M1-L3 PolarHBondContact O-N 3.22Å
2	I	31.9	Very low	66.9	Low	158 Å²	158	111.1 Å²	111.1	81%	0.81	60%	0.603	S	S	*	*			trans	-79.5	94.8	175.7	-61.3	170.2	0	0	0	106.3	N4	I2-N4 VanDerWaalsContact C-N 3.3Å; I2-N4 PolarHBondContact O-N 3.35Å; I2-N4 VanDerWaalsContact O-N 3.1Å
3	L	33.4	Very low	69.4	Low	157 Å²	157	106.8 Å²	106.8	82%	0.822	58%	0.575	S	S	*	*			trans	-76.3	90.7	165.4	-97.6	151	0	0	0	106.8	M1 S5	M1-L3 PolarHBondContact O-N 3.22Å; L3-S5 PolarHBondContact O-N 3.29Å
4	N	36.9	Very low	71.5	Confident	147 Å²	147	101.1 Å²	101.1	79%	0.786	54%	0.544	S	S	*	.			trans	-64.7	79.2	161.8	-107.4	-0.7	0	0	0	107.6	I2 L6	I2-N4 VanDerWaalsContact C-N 3.3Å; I2-N4 PolarHBondContact O-N 3.35Å; I2-N4 VanDerWaalsContact O-N 3.1Å; N4-L6 PolarHBondContact O-N 2.98Å; N4-L6 VanDerWaalsContact O-N 3.13Å
5	S	45	Very low	73.3	Confident	77 Å²	77	94.3 Å²	94.3	54%	0.538	51%	0.508	S	S	.	.			trans	-74.2	99.1	165.7	64.2	0	0	0	0	106.9	L3 S7	L3-S5 PolarHBondContact O-N 3.29Å; S5-S7 PolarHBondContact O-N 3.48Å; S5-S7 VanDerWaalsContact O-N 3.08Å
6	L	57.5	Low	74.9	Confident	170 Å²	170	88.4 Å²	88.4	89%	0.89	48%	0.476	S	S	*	.	P	Polyproline II helix	trans	-52.1	118.3	167.5	-84.3	144.7	0	0	0	107.9	N4	N4-L6 PolarHBondContact O-N 2.98Å; N4-L6 VanDerWaalsContact O-N 3.13Å
7	S	78.3	Confident	76.3	Confident	86 Å²	86	83.3 Å²	83.3	60%	0.601	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-55.9	141.9	173.7	-173.7	0	0	0	0	109.8	S5 C9	S5-S7 PolarHBondContact O-N 3.48Å; S5-S7 VanDerWaalsContact O-N 3.08Å; S7-C9 PolarHBondContact O-N 2.93Å
8	L	94.9	Very high	77.6	Confident	27 Å²	27	79.7 Å²	79.7	14%	0.141	43%	0.431	C	S	.	.	P	Polyproline II helix	trans	-60.3	125.5	-179.1	-169.2	66.6	0	0	0	110.2	Y10 I38 N82 V85 A108 P151	L8-Y10 HydrophobicContact CB-CE2 4.41Å; L8-Y10 HydrophobicContact CD2-CE1 4.2Å; L8-Y10 HydrophobicContact CD2-CE2 4.33Å; L8-Y10 HydrophobicContact CG-CE2 4.4Å; L8-I38 HydrophobicContact CD1-CD1 4.2Å; L8-I38 HydrophobicContact CD1-CG1 4.15Å; L8-I38 HydrophobicContact CD2-CD1 4.08Å; L8-I38 HydrophobicContact CD2-CG1 4.39Å; L8-I38 HydrophobicContact CD2-CG2 4.19Å; L8-I38 HydrophobicContact CG-CD1 4.03Å; L8-I38 HydrophobicContact CG-CG1 4.46Å; L8-N82 WeakPolarHBondContact CD1-O 3.42Å; L8-V85 HydrophobicContact CD2-CG2 3.68Å; L8-A108 HydrophobicContact CB-CB 4.43Å; L8-A108 HydrophobicContact CD1-CB 4.23Å; L8-A108 HydrophobicContact CD2-CB 3.92Å; L8-A108 HydrophobicContact CG-CB 4.44Å; L8-P151 HydrophobicContact CB-CG 3.92Å
9	C	97.1	Very high	78.7	Confident	65 Å²	65	76.7 Å²	76.7	44%	0.439	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-98.9	128.8	-179.3	177	0	0	0	0	111.2	S7 K13	S7-C9 PolarHBondContact O-N 2.93Å; C9-K13 WeakPolarHBondContact O-CE 3.34Å; C9-K13 WeakPolarHBondContact O-CG 3.42Å
10	Y	98.5	Very high	79.5	Confident	5 Å²	5	75.8 Å²	75.8	2%	0.02	41%	0.41	C	S	.	.			trans	-100.4	15.3	-177	-65.3	-88.9	0	0	0	114.2	L8 I15 I38 P151 T153 A178 A179 I212 S237 S238	L8-Y10 HydrophobicContact CB-CE2 4.41Å; L8-Y10 HydrophobicContact CD2-CE1 4.2Å; L8-Y10 HydrophobicContact CD2-CE2 4.33Å; L8-Y10 HydrophobicContact CG-CE2 4.4Å; Y10-I15 HydrophobicContact CD1-CD1 4.49Å; Y10-I38 HydrophobicContact CD1-CD1 3.88Å; Y10-I38 HydrophobicContact CE1-CD1 4.08Å; Y10-P151 HydrophobicContact CE2-CB 3.99Å; Y10-P151 HydrophobicContact CE2-CG 4.14Å; Y10-T153 HydrophobicContact CD1-CG2 4.43Å; Y10-T153 HydrophobicContact CD2-CG2 4.45Å; Y10-T153 HydrophobicContact CE1-CG2 3.77Å; Y10-T153 HydrophobicContact CE2-CG2 3.82Å; Y10-T153 VanDerWaalsContact CZ-CG2 3.4Å; Y10-T153 WeakPolarHBondContact OH-CG2 3.44Å; Y10-A178 HydrophobicContact CD2-CB 4.37Å; Y10-A178 HydrophobicContact CE2-CB 4.18Å; Y10-A179 HydrophobicContact CD1-CB 4.06Å; Y10-A179 HydrophobicContact CD2-CB 3.95Å; Y10-A179 HydrophobicContact CG-CB 3.63Å; Y10-I212 HydrophobicContact CD1-CD1 3.85Å; Y10-S237 PolarHBondContact O-OG 3.31Å; Y10-S238 PolarHBondContact O-OG 3.38Å
11	H	98.5	Very high	80.4	Confident	96 Å²	96	78.9 Å²	78.9	44%	0.444	42%	0.416	S	S	.	.	S	Bend	trans	-95.8	132.2	176.9	-68.7	-81.9	0	0	0	113.1	K13 S237	H11-K13 PolarHBondContact O-NZ 2.84Å; H11-S237 WeakPolarHBondContact CA-OG 3.48Å; H11-S237 PolarHBondContact ND1-OG 3.3Å
12	N	98.2	Very high	83.5	Confident	110 Å²	110	67.9 Å²	67.9	59%	0.588	36%	0.362	S	S	*	.	S	Bend	trans	50.2	62	179.1	-61	-56.4	0	0	0	111.5	S237 S238	N12-S237 VanDerWaalsContact CA-O 3.31Å; N12-S237 WeakPolarHBondContact CA-O 3.31Å; N12-S237 PolarHBondContact N-O 3.38Å; N12-S238 PolarHBondContact N-OG 2.87Å
13	K	98.7	Very high	86.7	Confident	55 Å²	55	60.3 Å²	60.3	24%	0.239	32%	0.324	C	S	.	.			trans	-124.6	145.3	-177.6	-61.7	-72.6	161	-76.2	0	112	C9 H11 I15 D37 I38 S238 V239	C9-K13 WeakPolarHBondContact O-CE 3.34Å; C9-K13 WeakPolarHBondContact O-CG 3.42Å; H11-K13 PolarHBondContact O-NZ 2.84Å; K13-I15 HydrophobicContact CB-CD1 4.13Å; K13-I15 HydrophobicContact CB-CG1 3.84Å; K13-D37 WeakPolarHBondContact CA-OD2 3.28Å; K13-D37 HydrophobicContact CB-CB 4.2Å; K13-D37 HydrophobicContact CD-CB 3.42Å; K13-D37 VanDerWaalsContact CD-CB 3.42Å; K13-D37 HydrophobicContact CG-CB 4.38Å; K13-I38 HydrophobicContact CB-CD1 4.27Å; K13-I38 HydrophobicContact CD-CD1 4.34Å; K13-I38 HydrophobicContact CD-CG1 4.49Å; K13-I38 HydrophobicContact CG-CD1 3.99Å; K13-S238 PolarHBondContact N-OG 3.04Å; K13-S238 WeakPolarHBondContact O-CB 3.07Å; K13-V239 PolarHBondContact O-N 3.39Å
14	L	98.9	Very high	89.8	Confident	27 Å²	27	53.6 Å²	53.6	14%	0.141	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	115.7	164.7	-58.3	179.1	0	0	0	108.6	D37 I38 Y224 I227 F252	L14-D37 PolarHBondContact N-OD2 3.5Å; L14-D37 PolarHBondContact O-N 2.91Å; L14-I38 PolarHBondContact O-N 2.8Å; L14-Y224 HydrophobicContact CD1-CE2 3.71Å; L14-I227 HydrophobicContact CD2-CB 4.48Å; L14-I227 HydrophobicContact CD2-CD1 4.26Å; L14-I227 HydrophobicContact CD2-CG2 3.68Å; L14-F252 HydrophobicContact CB-CD1 3.95Å; L14-F252 HydrophobicContact CB-CE1 4.38Å
15	I	98.9	Very high	92.7	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	127.1	-170.6	-48.1	-173.7	0	0	0	110.8	Y10 K13 I38 Y40 I212 V239 M240 V241	Y10-I15 HydrophobicContact CD1-CD1 4.49Å; K13-I15 HydrophobicContact CB-CD1 4.13Å; K13-I15 HydrophobicContact CB-CG1 3.84Å; I15-I38 WeakPolarHBondContact CA-O 3.34Å; I15-I38 HydrophobicContact CB-CB 4.48Å; I15-I38 HydrophobicContact CD1-CD1 4.2Å; I15-I38 HydrophobicContact CG1-CB 4.15Å; I15-I38 HydrophobicContact CG1-CD1 4.49Å; I15-I38 HydrophobicContact CG2-CB 4.04Å; I15-I38 HydrophobicContact CG2-CG2 4.07Å; I15-Y40 HydrophobicContact CG2-CD2 3.63Å; I15-Y40 HydrophobicContact CG2-CE2 3.63Å; I15-I212 HydrophobicContact CD1-CD1 3.86Å; I15-I212 HydrophobicContact CD1-CG1 4.16Å; I15-I212 HydrophobicContact CD1-CG2 3.8Å; I15-V239 PolarHBondContact N-O 3.27Å; I15-M240 HydrophobicContact CB-CB 4.17Å; I15-M240 HydrophobicContact CG2-CB 4.43Å; I15-M240 HydrophobicContact CG2-CE 3.87Å; I15-M240 HydrophobicContact CG2-CG 4.31Å; I15-M240 CarbonylContact O-C 3.57Å; I15-M240 VanDerWaalsContact O-CA 3.3Å; I15-M240 WeakPolarHBondContact O-CA 3.42Å; I15-V241 PolarHBondContact O-N 3.12Å
16	L	98.9	Very high	95.3	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	124.3	166.5	177.4	70.7	0	0	0	109.3	M19 M27 R28 A31 I38 V39 Y40 A245 F252	L16-M19 HydrophobicContact CD1-CE 3.64Å; L16-M19 HydrophobicContact CG-CE 4.41Å; L16-M27 HydrophobicContact CD2-CG 4.2Å; L16-R28 HydrophobicContact CD2-CG 4.19Å; L16-A31 HydrophobicContact CB-CB 4.29Å; L16-A31 HydrophobicContact CD1-CB 4.44Å; L16-A31 HydrophobicContact CD2-CB 3.86Å; L16-A31 HydrophobicContact CG-CB 4.42Å; L16-I38 PolarHBondContact N-O 3.07Å; L16-V39 HydrophobicContact CB-CB 4.29Å; L16-V39 HydrophobicContact CB-CG1 3.91Å; L16-V39 HydrophobicContact CD2-CB 4.27Å; L16-V39 HydrophobicContact CD2-CG1 4.14Å; L16-Y40 WeakPolarHBondContact O-CB 3.32Å; L16-Y40 PolarHBondContact O-N 3.33Å; L16-Y40 VanDerWaalsContact O-N 3.11Å; L16-A245 HydrophobicContact CD1-CB 3.64Å; L16-F252 HydrophobicContact CB-CE2 4.3Å; L16-F252 HydrophobicContact CB-CZ 4.24Å; L16-F252 HydrophobicContact CD1-CE2 4.11Å; L16-F252 HydrophobicContact CD1-CZ 4.38Å
17	A	98.9	Very high	97.3	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.008	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-70.6	151	179.4	0	0	0	0	0	112.9	M19 M240 V241 A242	A17-M19 PolarHBondContact O-N 3.15Å; A17-M240 VanDerWaalsContact CA-CG 3.45Å; A17-M240 HydrophobicContact CB-CG 3.42Å; A17-M240 VanDerWaalsContact CB-CG 3.42Å; A17-M240 HydrophobicContact CB-SD 3.85Å; A17-V241 VanDerWaalsContact CB-O 3.31Å; A17-V241 WeakPolarHBondContact CB-O 3.5Å; A17-V241 PolarHBondContact N-O 3.29Å; A17-A242 HydrophobicContact CB-CB 3.54Å
18	P	98.6	Very high	98.3	Very high	19 Å²	19	31.2 Å²	31.2	12%	0.123	16%	0.157	C	C	.	.	P	Polyproline II helix	trans	-66.7	127.2	170.7	25.9	-30.1	0	0	0	110	Y40 C41 Q87 K155	P18-Y40 HydrophobicContact CB-CD1 4.39Å; P18-Y40 HydrophobicContact CG-CD1 4.06Å; P18-Y40 HydrophobicContact CG-CG 4.44Å; P18-C41 WeakPolarHBondContact CA-O 3.45Å; P18-C41 WeakPolarHBondContact CB-O 3.43Å; P18-Q87 HydrophobicContact CB-CB 4.22Å; P18-Q87 HydrophobicContact CB-CG 4.49Å; P18-Q87 VanDerWaalsContact CG-NE2 3.28Å; P18-K155 HydrophobicContact CG-CD 3.81Å
19	M	98.2	Very high	98.4	Very high	23 Å²	23	30 Å²	30	11%	0.113	15%	0.151	C	C	.	.			trans	-141.6	115.1	-177.1	-68.8	-179.5	-73.9	0	0	110.1	L16 A17 R21 V22 G23 E42 A242 M246	L16-M19 HydrophobicContact CD1-CE 3.64Å; L16-M19 HydrophobicContact CG-CE 4.41Å; A17-M19 PolarHBondContact O-N 3.15Å; M19-R21 PolarHBondContact O-N 3Å; M19-V22 HydrophobicContact CB-CB 3.75Å; M19-V22 HydrophobicContact CB-CG1 4.43Å; M19-V22 HydrophobicContact CB-CG2 4.34Å; M19-V22 HydrophobicContact CE-CB 4.41Å; M19-V22 HydrophobicContact CE-CG1 3.83Å; M19-V22 PolarHBondContact O-N 3.11Å; M19-V22 VanDerWaalsContact O-N 3.11Å; M19-V22 HydrophobicContact SD-CG1 4.3Å; M19-G23 PolarHBondContact O-N 2.74Å; M19-E42 WeakPolarHBondContact O-CB 3.1Å; M19-A242 HydrophobicContact CG-CB 4.16Å; M19-A242 VanDerWaalsContact SD-C 3.52Å; M19-A242 HydrophobicContact SD-CB 3.81Å; M19-A242 VanDerWaalsContact SD-O 3.4Å; M19-M246 HydrophobicContact CE-CB 4.37Å; M19-M246 HydrophobicContact SD-CB 3.96Å
20	V	96.2	Very high	98.5	Very high	57 Å²	57	26.9 Å²	26.9	35%	0.345	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	134.3	178.1	176.8	0	0	0	0	111.2	V22 E43	V20-V22 PolarHBondContact O-N 3.33Å; V20-E43 HydrophobicContact CG2-CB 4.06Å
21	R	96.9	Very high	98.6	Very high	142 Å²	142	26.6 Å²	26.6	54%	0.536	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.1	-36.7	-168.7	-59	174.8	176.6	178.6	-1.4	115.4	M19 E42 N280 Y283	M19-R21 PolarHBondContact O-N 3Å; R21-E42 WeakPolarHBondContact CA-OE2 3.43Å; R21-E42 PolarHBondContact N-OE2 2.81Å; R21-N280 PolarHBondContact O-ND2 2.96Å; R21-Y283 HydrophobicContact CB-CD1 3.6Å; R21-Y283 HydrophobicContact CB-CE1 3.59Å; R21-Y283 HydrophobicContact CB-CG 4.45Å; R21-Y283 HydrophobicContact CG-CD1 4.46Å; R21-Y283 HydrophobicContact CG-CE1 4.43Å
22	V	98.8	Very high	98.6	Very high	3 Å²	3	22.7 Å²	22.7	2%	0.018	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-40.2	-174.2	-177.7	0	0	0	0	111.9	M19 V20 T24 M27 M246 Y283	M19-V22 HydrophobicContact CB-CB 3.75Å; M19-V22 HydrophobicContact CB-CG1 4.43Å; M19-V22 HydrophobicContact CB-CG2 4.34Å; M19-V22 HydrophobicContact CE-CB 4.41Å; M19-V22 HydrophobicContact CE-CG1 3.83Å; M19-V22 PolarHBondContact O-N 3.11Å; M19-V22 VanDerWaalsContact O-N 3.11Å; M19-V22 HydrophobicContact SD-CG1 4.3Å; V20-V22 PolarHBondContact O-N 3.33Å; V22-T24 PolarHBondContact O-N 3.29Å; V22-M27 HydrophobicContact CG1-CE 3.93Å; V22-M27 HydrophobicContact CG1-CG 4.1Å; V22-M27 WeakPolarHBondContact O-CB 3.2Å; V22-M27 WeakPolarHBondContact O-CG 3.41Å; V22-M246 HydrophobicContact CG1-CB 4.15Å; V22-M246 HydrophobicContact CG1-CG 3.92Å; V22-M246 HydrophobicContact CG2-CG 3.92Å; V22-M246 HydrophobicContact CG2-SD 3.74Å; V22-Y283 HydrophobicContact CG2-CD1 4.49Å; V22-Y283 HydrophobicContact CG2-CE1 3.79Å
23	G	98.4	Very high	98.6	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.095	C	C	.	.	S	Bend	trans	-77.1	30.9	-174.9	0	0	0	0	0	115.1	M19 R28 E42	M19-G23 PolarHBondContact O-N 2.74Å; G23-R28 PolarHBondContact O-NH1 2.95Å; G23-E42 PolarHBondContact O-N 2.99Å
24	T	98.9	Very high	98.6	Very high	15 Å²	15	17.6 Å²	17.6	9%	0.092	9%	0.085	C	C	.	.	S	Bend	trans	-75.9	167.7	171.7	54.8	0	0	0	0	110.9	V22 P26 M27 R28 E42 N280	V22-T24 PolarHBondContact O-N 3.29Å; T24-P26 VanDerWaalsContact C-CD 3.45Å; T24-M27 PolarHBondContact O-N 3.11Å; T24-M27 VanDerWaalsContact O-N 3.15Å; T24-R28 PolarHBondContact O-N 3.26Å; T24-E42 VanDerWaalsContact CG2-OE1 3.23Å; T24-E42 WeakPolarHBondContact CG2-OE1 3.48Å; T24-N280 PolarHBondContact OG1-OD1 3.46Å
25	L	98.9	Very high	98.6	Very high	5 Å²	5	18 Å²	18	3%	0.026	10%	0.096	C	C	.	.	H	α-helix	trans	-50.8	-44.7	-172.1	-179	63.1	0	0	0	113.9	M27 R28 L29 T62 R75 E80 Y274	L25-M27 VanDerWaalsContact C-N 3.33Å; L25-M27 PolarHBondContact O-N 3.49Å; L25-R28 PolarHBondContact O-N 2.86Å; L25-L29 HydrophobicContact CD1-CD1 3.88Å; L25-L29 HydrophobicContact CD1-CD2 3.96Å; L25-L29 HydrophobicContact CD1-CG 3.68Å; L25-L29 HydrophobicContact CD2-CD1 4.42Å; L25-L29 HydrophobicContact CG-CD1 3.89Å; L25-L29 HydrophobicContact CG-CG 4.09Å; L25-L29 WeakPolarHBondContact O-CG 3.49Å; L25-L29 PolarHBondContact O-N 3.46Å; L25-T62 HydrophobicContact CD2-CG2 4.31Å; L25-R75 HydrophobicContact CD2-CG 3.79Å; L25-E80 HydrophobicContact CD1-CG 4.31Å; L25-E80 WeakPolarHBondContact CD1-OE1 3.42Å; L25-Y274 HydrophobicContact CD2-CD1 3.56Å; L25-Y274 HydrophobicContact CD2-CD2 4.22Å; L25-Y274 HydrophobicContact CD2-CE1 3.94Å; L25-Y274 HydrophobicContact CD2-CG 3.69Å; L25-Y274 HydrophobicContact CG-CG 4.46Å
26	P	98.9	Very high	98.6	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.006	10%	0.098	C	C	.	.	H	α-helix	trans	-58.4	-41.4	-179.1	-26.8	36.9	0	0	0	113.9	T24 L30 Y267 A271 N276	T24-P26 VanDerWaalsContact C-CD 3.45Å; P26-L30 VanDerWaalsContact O-CB 3.28Å; P26-L30 WeakPolarHBondContact O-CB 3.43Å; P26-L30 PolarHBondContact O-N 3.2Å; P26-Y267 HydrophobicContact CB-CD2 4.05Å; P26-Y267 HydrophobicContact CB-CE2 3.65Å; P26-A271 HydrophobicContact CB-CB 4.45Å; P26-A271 HydrophobicContact CG-CB 4.23Å; P26-N276 HydrophobicContact CG-CB 3.86Å
27	M	98.9	Very high	98.6	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-69.3	-40.6	178.2	178.2	59.2	69.9	0	0	111.5	L16 V22 T24 L25 L30 A31 P249 Y267 M288	L16-M27 HydrophobicContact CD2-CG 4.2Å; V22-M27 HydrophobicContact CG1-CE 3.93Å; V22-M27 HydrophobicContact CG1-CG 4.1Å; V22-M27 WeakPolarHBondContact O-CB 3.2Å; V22-M27 WeakPolarHBondContact O-CG 3.41Å; T24-M27 PolarHBondContact O-N 3.11Å; T24-M27 VanDerWaalsContact O-N 3.15Å; L25-M27 VanDerWaalsContact C-N 3.33Å; L25-M27 PolarHBondContact O-N 3.49Å; M27-L30 PolarHBondContact O-N 3.41Å; M27-A31 WeakPolarHBondContact O-CB 3.49Å; M27-A31 PolarHBondContact O-N 3Å; M27-P249 HydrophobicContact SD-CB 3.88Å; M27-P249 HydrophobicContact SD-CG 4.05Å; M27-Y267 HydrophobicContact CB-CE2 4.13Å; M27-Y267 HydrophobicContact CE-CD2 4.48Å; M27-Y267 HydrophobicContact CE-CE2 4.31Å; M27-M288 HydrophobicContact CE-CE 3.41Å; M27-M288 VanDerWaalsContact CE-CE 3.41Å
28	R	98.9	Very high	98.6	Very high	4 Å²	4	21.2 Å²	21.2	2%	0.015	11%	0.114	C	C	.	.	H	α-helix	trans	-63.1	-47.3	179.4	-64.6	-164	-53.2	-92	3.3	111.2	L16 G23 T24 L25 L30 A31 L32 V39 R75 E80	L16-R28 HydrophobicContact CD2-CG 4.19Å; G23-R28 PolarHBondContact O-NH1 2.95Å; T24-R28 PolarHBondContact O-N 3.26Å; L25-R28 PolarHBondContact O-N 2.86Å; R28-L30 VanDerWaalsContact C-N 3.32Å; R28-L30 PolarHBondContact O-N 2.96Å; R28-A31 PolarHBondContact O-N 3.01Å; R28-L32 WeakPolarHBondContact O-CG 3.3Å; R28-L32 PolarHBondContact O-N 2.99Å; R28-V39 HydrophobicContact CB-CB 4.04Å; R28-V39 HydrophobicContact CB-CG1 4.5Å; R28-V39 HydrophobicContact CB-CG2 3.95Å; R28-V39 HydrophobicContact CG-CB 4.18Å; R28-V39 HydrophobicContact CG-CG2 4.38Å; R28-R75 PolarHBondContact NH2-O 2.94Å; R28-E80 WeakPolarHBondContact CB-OE2 3.37Å; R28-E80 IonicContact CZ-OE1 2.7Å; R28-E80 IonicContact CZ-OE2 3.62Å; R28-E80 IonicContact NE-OE1 3.44Å; R28-E80 PolarHBondContact NE-OE1 2.99Å; R28-E80 IonicContact NE-OE2 2.86Å; R28-E80 PolarHBondContact NE-OE2 3.23Å; R28-E80 IonicContact NH2-OE1 3.56Å; R28-E80 PolarHBondContact NH2-OE1 3.3Å; R28-E80 IonicContact NH2-OE2 3.48Å
29	L	98.9	Very high	98.6	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-62.4	-41	176.3	-62.8	-177.5	0	0	0	111.9	L25 A31 L32 D33 R79 E80 Y270 Y274	L25-L29 HydrophobicContact CD1-CD1 3.88Å; L25-L29 HydrophobicContact CD1-CD2 3.96Å; L25-L29 HydrophobicContact CD1-CG 3.68Å; L25-L29 HydrophobicContact CD2-CD1 4.42Å; L25-L29 HydrophobicContact CG-CD1 3.89Å; L25-L29 HydrophobicContact CG-CG 4.09Å; L25-L29 WeakPolarHBondContact O-CG 3.49Å; L25-L29 PolarHBondContact O-N 3.46Å; L29-A31 PolarHBondContact O-N 3.47Å; L29-L32 HydrophobicContact CD2-CD1 4.45Å; L29-L32 WeakPolarHBondContact O-CB 3.3Å; L29-L32 PolarHBondContact O-N 3.19Å; L29-D33 PolarHBondContact O-N 2.93Å; L29-R79 HydrophobicContact CD2-CB 4.37Å; L29-R79 HydrophobicContact CD2-CG 4.42Å; L29-E80 HydrophobicContact CD2-CB 4.17Å; L29-E80 HydrophobicContact CD2-CG 4.42Å; L29-Y270 HydrophobicContact CB-CD1 4.46Å; L29-Y270 HydrophobicContact CB-CD2 4.28Å; L29-Y270 HydrophobicContact CB-CE1 4.33Å; L29-Y270 HydrophobicContact CB-CE2 4.15Å; L29-Y270 HydrophobicContact CB-CG 4.45Å; L29-Y270 HydrophobicContact CD1-CD1 4.09Å; L29-Y270 HydrophobicContact CD1-CE1 4.26Å; L29-Y274 HydrophobicContact CD1-CD2 3.86Å; L29-Y274 HydrophobicContact CD1-CE2 3.19Å
30	L	98.9	Very high	98.7	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-67	-35.5	177.6	-170.7	59.2	0	0	0	112.8	P26 M27 R28 D33 Y34 P249 V263 K266 Y267 Y270	P26-L30 VanDerWaalsContact O-CB 3.28Å; P26-L30 WeakPolarHBondContact O-CB 3.43Å; P26-L30 PolarHBondContact O-N 3.2Å; M27-L30 PolarHBondContact O-N 3.41Å; R28-L30 VanDerWaalsContact C-N 3.32Å; R28-L30 PolarHBondContact O-N 2.96Å; L30-D33 WeakPolarHBondContact O-CB 3.49Å; L30-D33 PolarHBondContact O-N 2.81Å; L30-Y34 HydrophobicContact CD1-CD2 4.1Å; L30-Y34 HydrophobicContact CD1-CE2 3.47Å; L30-Y34 VanDerWaalsContact CD1-CE2 3.47Å; L30-Y34 HydrophobicContact CD2-CE2 4.4Å; L30-Y34 HydrophobicContact CG-CD2 4.07Å; L30-Y34 HydrophobicContact CG-CE2 3.7Å; L30-Y34 WeakPolarHBondContact O-CD2 3Å; L30-Y34 PolarHBondContact O-N 3.4Å; L30-P249 HydrophobicContact CD2-CG 3.58Å; L30-P249 HydrophobicContact CG-CB 4.33Å; L30-P249 HydrophobicContact CG-CG 3.84Å; L30-V263 HydrophobicContact CD2-CG1 4.15Å; L30-K266 HydrophobicContact CD1-CB 3.72Å; L30-K266 HydrophobicContact CD1-CD 4.35Å; L30-Y267 HydrophobicContact CD2-CD2 4.16Å; L30-Y267 HydrophobicContact CD2-CG 4.42Å; L30-Y270 HydrophobicContact CB-CD2 4.26Å; L30-Y270 HydrophobicContact CB-CE2 4.29Å; L30-Y270 HydrophobicContact CD1-CE2 4.23Å
31	A	98.9	Very high	98.8	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-65.8	-39.2	172.5	0	0	0	0	0	111.6	L16 M27 R28 L29 Y34 G35 A36 V39 F252	L16-A31 HydrophobicContact CB-CB 4.29Å; L16-A31 HydrophobicContact CD1-CB 4.44Å; L16-A31 HydrophobicContact CD2-CB 3.86Å; L16-A31 HydrophobicContact CG-CB 4.42Å; M27-A31 WeakPolarHBondContact O-CB 3.49Å; M27-A31 PolarHBondContact O-N 3Å; R28-A31 PolarHBondContact O-N 3.01Å; L29-A31 PolarHBondContact O-N 3.47Å; A31-Y34 CarbonylContact O-C 3.59Å; A31-Y34 PolarHBondContact O-N 2.73Å; A31-G35 PolarHBondContact O-N 3.32Å; A31-A36 HydrophobicContact CB-CB 4.02Å; A31-A36 VanDerWaalsContact O-CB 3.28Å; A31-A36 WeakPolarHBondContact O-CB 3.48Å; A31-A36 PolarHBondContact O-N 3.47Å; A31-V39 HydrophobicContact CB-CG1 4.11Å; A31-F252 HydrophobicContact CB-CD2 4.19Å; A31-F252 HydrophobicContact CB-CE2 4.12Å
32	L	98.9	Very high	98.8	Very high	13 Å²	13	11.4 Å²	11.4	7%	0.068	7%	0.069	C	C	.	.	H	α-helix	trans	-63.6	-39.9	173.4	-67.1	-179.8	0	0	0	112	R28 L29 Y34 G35 A36 V39 E80 R83	R28-L32 WeakPolarHBondContact O-CG 3.3Å; R28-L32 PolarHBondContact O-N 2.99Å; L29-L32 HydrophobicContact CD2-CD1 4.45Å; L29-L32 WeakPolarHBondContact O-CB 3.3Å; L29-L32 PolarHBondContact O-N 3.19Å; L32-Y34 PolarHBondContact O-N 3.43Å; L32-G35 PolarHBondContact O-N 2.92Å; L32-G35 VanDerWaalsContact O-N 3.12Å; L32-A36 WeakPolarHBondContact CD2-O 3.32Å; L32-V39 HydrophobicContact CD1-CG2 4.22Å; L32-V39 HydrophobicContact CD2-CG1 3.65Å; L32-V39 HydrophobicContact CD2-CG2 4.14Å; L32-V39 HydrophobicContact CG-CG1 3.85Å; L32-V39 HydrophobicContact CG-CG2 4.17Å; L32-E80 HydrophobicContact CD1-CB 3.71Å; L32-R83 HydrophobicContact CD2-CB 4.16Å
33	D	98.9	Very high	98.8	Very high	48 Å²	48	11.9 Å²	11.9	26%	0.257	7%	0.071	S	C	.	.	H	α-helix	trans	-55.8	-38.2	174.5	-73.2	-1.7	0	0	0	111.9	L29 L30 G35 R79 Y270	L29-D33 PolarHBondContact O-N 2.93Å; L30-D33 WeakPolarHBondContact O-CB 3.49Å; L30-D33 PolarHBondContact O-N 2.81Å; D33-G35 VanDerWaalsContact C-N 3.35Å; D33-R79 IonicContact OD1-CZ 3.14Å; D33-R79 IonicContact OD1-NH1 3.97Å; D33-R79 PolarHBondContact OD1-NH1 2.82Å; D33-R79 IonicContact OD1-NH2 2.71Å; D33-R79 PolarHBondContact OD1-NH2 3.45Å; D33-Y270 PolarHBondContact OD1-OH 2.95Å; D33-Y270 WeakPolarHBondContact OD2-CE2 3.22Å; D33-Y270 PolarHBondContact OD2-OH 2.81Å
34	Y	98.9	Very high	98.7	Very high	10 Å²	10	12.6 Å²	12.6	4%	0.039	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	5.3	-178.3	-67.8	-52.2	0	0	0	114.1	L30 A31 L32 P249 F252 L253 R258 V263 K266	L30-Y34 HydrophobicContact CD1-CD2 4.1Å; L30-Y34 HydrophobicContact CD1-CE2 3.47Å; L30-Y34 VanDerWaalsContact CD1-CE2 3.47Å; L30-Y34 HydrophobicContact CD2-CE2 4.4Å; L30-Y34 HydrophobicContact CG-CD2 4.07Å; L30-Y34 HydrophobicContact CG-CE2 3.7Å; L30-Y34 WeakPolarHBondContact O-CD2 3Å; L30-Y34 PolarHBondContact O-N 3.4Å; A31-Y34 CarbonylContact O-C 3.59Å; A31-Y34 PolarHBondContact O-N 2.73Å; L32-Y34 PolarHBondContact O-N 3.43Å; Y34-P249 WeakPolarHBondContact CB-O 3.5Å; Y34-P249 HydrophobicContact CD2-CB 4.13Å; Y34-P249 HydrophobicContact CD2-CG 4.34Å; Y34-P249 HydrophobicContact CE2-CG 4.26Å; Y34-F252 CarbonylContact O-C 3.6Å; Y34-F252 WeakPolarHBondContact O-CB 3.36Å; Y34-L253 HydrophobicContact CD1-CB 4.27Å; Y34-L253 HydrophobicContact CD1-CD1 4.47Å; Y34-L253 HydrophobicContact CD1-CD2 4.16Å; Y34-L253 WeakPolarHBondContact O-CA 3.25Å; Y34-L253 PolarHBondContact O-N 3.46Å; Y34-R258 HydrophobicContact CD1-CG 4.42Å; Y34-R258 HydrophobicContact CE1-CG 3.7Å; Y34-V263 HydrophobicContact CE2-CG1 4.36Å; Y34-V263 HydrophobicContact CE2-CG2 4.27Å; Y34-V263 WeakPolarHBondContact OH-CG2 3.42Å; Y34-K266 WeakPolarHBondContact OH-CD 3.32Å
35	G	98.8	Very high	98.6	Very high	36 Å²	36	14 Å²	14	37%	0.371	8%	0.081	S	C	.	.	T	Hydrogen-bonded Turn	trans	100.6	14.7	171	0	0	0	0	0	115.6	A31 L32 D33 D37	A31-G35 PolarHBondContact O-N 3.32Å; L32-G35 PolarHBondContact O-N 2.92Å; L32-G35 VanDerWaalsContact O-N 3.12Å; D33-G35 VanDerWaalsContact C-N 3.35Å; G35-D37 PolarHBondContact O-N 3.32Å
36	A	98.9	Very high	98.5	Very high	3 Å²	3	13.8 Å²	13.8	3%	0.025	8%	0.08	C	C	.	.			trans	-61.7	134.2	162.9	0	0	0	0	0	109.7	A31 L32 V39 F252	A31-A36 HydrophobicContact CB-CB 4.02Å; A31-A36 VanDerWaalsContact O-CB 3.28Å; A31-A36 WeakPolarHBondContact O-CB 3.48Å; A31-A36 PolarHBondContact O-N 3.47Å; L32-A36 WeakPolarHBondContact CD2-O 3.32Å; A36-V39 HydrophobicContact CB-CG1 4.12Å; A36-F252 HydrophobicContact CB-CD1 4.37Å; A36-F252 HydrophobicContact CB-CD2 3.93Å; A36-F252 HydrophobicContact CB-CE2 4.18Å; A36-F252 HydrophobicContact CB-CG 4.02Å; A36-F252 HydrophobicContact CB-CZ 4.49Å
37	D	98.9	Very high	98.3	Very high	64 Å²	64	18.2 Å²	18.2	34%	0.342	10%	0.103	S	C	.	.	S	Bend	trans	-83.2	-36.9	178.2	-60.6	-68.2	0	0	0	111.6	K13 L14 G35 R83	K13-D37 WeakPolarHBondContact CA-OD2 3.28Å; K13-D37 HydrophobicContact CB-CB 4.2Å; K13-D37 HydrophobicContact CD-CB 3.42Å; K13-D37 VanDerWaalsContact CD-CB 3.42Å; K13-D37 HydrophobicContact CG-CB 4.38Å; L14-D37 PolarHBondContact N-OD2 3.5Å; L14-D37 PolarHBondContact O-N 2.91Å; G35-D37 PolarHBondContact O-N 3.32Å; D37-R83 WeakPolarHBondContact O-CB 3.34Å; D37-R83 WeakPolarHBondContact O-CG 3.35Å
38	I	98.9	Very high	98.1	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.01	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	136.7	-176	-58.1	177.5	0	0	0	108.8	L8 Y10 K13 L14 I15 L16 Y40 R83 V85	L8-I38 HydrophobicContact CD1-CD1 4.2Å; L8-I38 HydrophobicContact CD1-CG1 4.15Å; L8-I38 HydrophobicContact CD2-CD1 4.08Å; L8-I38 HydrophobicContact CD2-CG1 4.39Å; L8-I38 HydrophobicContact CD2-CG2 4.19Å; L8-I38 HydrophobicContact CG-CD1 4.03Å; L8-I38 HydrophobicContact CG-CG1 4.46Å; Y10-I38 HydrophobicContact CD1-CD1 3.88Å; Y10-I38 HydrophobicContact CE1-CD1 4.08Å; K13-I38 HydrophobicContact CB-CD1 4.27Å; K13-I38 HydrophobicContact CD-CD1 4.34Å; K13-I38 HydrophobicContact CD-CG1 4.49Å; K13-I38 HydrophobicContact CG-CD1 3.99Å; L14-I38 PolarHBondContact O-N 2.8Å; I15-I38 WeakPolarHBondContact CA-O 3.34Å; I15-I38 HydrophobicContact CB-CB 4.48Å; I15-I38 HydrophobicContact CD1-CD1 4.2Å; I15-I38 HydrophobicContact CG1-CB 4.15Å; I15-I38 HydrophobicContact CG1-CD1 4.49Å; I15-I38 HydrophobicContact CG2-CB 4.04Å; I15-I38 HydrophobicContact CG2-CG2 4.07Å; L16-I38 PolarHBondContact N-O 3.07Å; I38-Y40 HydrophobicContact CG2-CD2 4.08Å; I38-Y40 HydrophobicContact CG2-CE2 3.81Å; I38-R83 WeakPolarHBondContact CA-O 3.45Å; I38-R83 WeakPolarHBondContact CG2-O 3.15Å; I38-V85 HydrophobicContact CG2-CG2 3.65Å
39	V	98.9	Very high	98	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	118.4	179.9	-67.9	0	0	0	0	111.3	L16 R28 A31 L32 A36 R83 V84 V85	L16-V39 HydrophobicContact CB-CB 4.29Å; L16-V39 HydrophobicContact CB-CG1 3.91Å; L16-V39 HydrophobicContact CD2-CB 4.27Å; L16-V39 HydrophobicContact CD2-CG1 4.14Å; R28-V39 HydrophobicContact CB-CB 4.04Å; R28-V39 HydrophobicContact CB-CG1 4.5Å; R28-V39 HydrophobicContact CB-CG2 3.95Å; R28-V39 HydrophobicContact CG-CB 4.18Å; R28-V39 HydrophobicContact CG-CG2 4.38Å; A31-V39 HydrophobicContact CB-CG1 4.11Å; L32-V39 HydrophobicContact CD1-CG2 4.22Å; L32-V39 HydrophobicContact CD2-CG1 3.65Å; L32-V39 HydrophobicContact CD2-CG2 4.14Å; L32-V39 HydrophobicContact CG-CG1 3.85Å; L32-V39 HydrophobicContact CG-CG2 4.17Å; A36-V39 HydrophobicContact CB-CG1 4.12Å; V39-R83 PolarHBondContact N-O 2.92Å; V39-V84 HydrophobicContact CG2-CB 4.25Å; V39-V84 HydrophobicContact CG2-CG2 4.47Å; V39-V84 CarbonylContact O-C 3.5Å; V39-V84 VanDerWaalsContact O-CA 3.25Å; V39-V84 WeakPolarHBondContact O-CA 3.37Å; V39-V85 PolarHBondContact O-N 3.37Å
40	Y	98.9	Very high	97.8	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	139.5	173.7	-78.5	-123	0	0	0	109.8	I15 L16 P18 I38 V85 Q87 D111 T153 M240	I15-Y40 HydrophobicContact CG2-CD2 3.63Å; I15-Y40 HydrophobicContact CG2-CE2 3.63Å; L16-Y40 WeakPolarHBondContact O-CB 3.32Å; L16-Y40 PolarHBondContact O-N 3.33Å; L16-Y40 VanDerWaalsContact O-N 3.11Å; P18-Y40 HydrophobicContact CB-CD1 4.39Å; P18-Y40 HydrophobicContact CG-CD1 4.06Å; P18-Y40 HydrophobicContact CG-CG 4.44Å; I38-Y40 HydrophobicContact CG2-CD2 4.08Å; I38-Y40 HydrophobicContact CG2-CE2 3.81Å; Y40-V85 WeakPolarHBondContact CA-O 3.31Å; Y40-V85 HydrophobicContact CD1-CB 4.04Å; Y40-V85 HydrophobicContact CD1-CG1 3.83Å; Y40-V85 HydrophobicContact CD2-CB 3.83Å; Y40-V85 HydrophobicContact CD2-CG1 4.39Å; Y40-V85 HydrophobicContact CD2-CG2 4.2Å; Y40-V85 HydrophobicContact CE1-CB 3.99Å; Y40-V85 HydrophobicContact CE1-CG1 3.46Å; Y40-V85 VanDerWaalsContact CE1-CG1 3.46Å; Y40-V85 HydrophobicContact CE2-CB 3.75Å; Y40-V85 HydrophobicContact CE2-CG1 4.04Å; Y40-V85 HydrophobicContact CE2-CG2 3.76Å; Y40-V85 HydrophobicContact CG-CB 3.95Å; Y40-V85 HydrophobicContact CG-CG1 4.27Å; Y40-Q87 HydrophobicContact CD1-CB 4.49Å; Y40-D111 HydrophobicContact CD1-CB 4.12Å; Y40-D111 HydrophobicContact CE1-CB 3.52Å; Y40-T153 PolarHBondContact OH-OG1 3.06Å; Y40-M240 HydrophobicContact CD1-CE 4.23Å; Y40-M240 HydrophobicContact CD2-CE 3.93Å; Y40-M240 HydrophobicContact CE1-CE 4Å; Y40-M240 HydrophobicContact CE2-CE 3.72Å; Y40-M240 HydrophobicContact CG-CE 4.22Å
41	C	98.8	Very high	97.5	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.153	C	C	.	.	P	Polyproline II helix	trans	-73.4	170.4	166.7	75.5	0	0	0	0	111.4	P18 F74 V85 Q87	P18-C41 WeakPolarHBondContact CA-O 3.45Å; P18-C41 WeakPolarHBondContact CB-O 3.43Å; C41-F74 HydrophobicContact CB-CD2 4.33Å; C41-F74 HydrophobicContact CB-CE2 3.79Å; C41-V85 PolarHBondContact N-O 3.3Å; C41-Q87 PolarHBondContact SG-N 3.27Å
42	E	98.2	Very high	97.3	Very high	35 Å²	35	29.2 Å²	29.2	16%	0.164	16%	0.156	C	C	.	.	P	Polyproline II helix	trans	-59.3	157.9	167.7	60.6	-175.9	135.8	0	0	112.6	M19 R21 G23 T24 L44	M19-E42 WeakPolarHBondContact O-CB 3.1Å; R21-E42 WeakPolarHBondContact CA-OE2 3.43Å; R21-E42 PolarHBondContact N-OE2 2.81Å; G23-E42 PolarHBondContact O-N 2.99Å; T24-E42 VanDerWaalsContact CG2-OE1 3.23Å; T24-E42 WeakPolarHBondContact CG2-OE1 3.48Å; E42-L44 HydrophobicContact CG-CD2 3.95Å; E42-L44 HydrophobicContact CG-CG 4.22Å; E42-L44 PolarHBondContact O-N 2.95Å
43	E	97.7	Very high	97	Very high	13 Å²	13	36.2 Å²	36.2	6%	0.061	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-62.3	119	171.1	179.9	178.6	-162.3	0	0	109.9	V20 I45 G89 N113	V20-E43 HydrophobicContact CG2-CB 4.06Å; E43-I45 HydrophobicContact CG-CD1 4.35Å; E43-G89 WeakPolarHBondContact OE1-CA 3.5Å; E43-N113 HydrophobicContact CG-CB 4.26Å; E43-N113 PolarHBondContact OE1-ND2 3.05Å; E43-N113 PolarHBondContact OE2-ND2 3.31Å
44	L	97.4	Very high	97	Very high	15 Å²	15	39.3 Å²	39.3	8%	0.079	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	128.1	175.4	-66.2	175.7	0	0	0	110.6	E42 D46 M49 V73 F74 F86 Q87 M88 G89	E42-L44 HydrophobicContact CG-CD2 3.95Å; E42-L44 HydrophobicContact CG-CG 4.22Å; E42-L44 PolarHBondContact O-N 2.95Å; L44-D46 PolarHBondContact O-N 2.9Å; L44-M49 HydrophobicContact CB-CG 4.05Å; L44-M49 HydrophobicContact CB-SD 4.22Å; L44-M49 HydrophobicContact CD1-SD 4.07Å; L44-V73 HydrophobicContact CD1-CG1 4.44Å; L44-V73 HydrophobicContact CD2-CG1 3.96Å; L44-F74 HydrophobicContact CD1-CB 3.66Å; L44-F74 HydrophobicContact CD1-CD2 4.07Å; L44-F74 HydrophobicContact CD1-CG 4.11Å; L44-F86 HydrophobicContact CB-CE2 4.45Å; L44-F86 HydrophobicContact CB-CZ 3.89Å; L44-F86 HydrophobicContact CD1-CE2 3.57Å; L44-F86 HydrophobicContact CD1-CZ 3.84Å; L44-F86 HydrophobicContact CG-CZ 4.48Å; L44-Q87 PolarHBondContact N-O 3.15Å; L44-M88 VanDerWaalsContact O-CA 3.26Å; L44-M88 WeakPolarHBondContact O-CA 3.49Å; L44-G89 PolarHBondContact O-N 3.17Å
45	I	96.4	Very high	96.8	Very high	45 Å²	45	41.9 Å²	41.9	23%	0.231	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	128.7	-174	-52.6	-53.3	0	0	0	110.4	E43 L47 K48 M49 Y120 M126	E43-I45 HydrophobicContact CG-CD1 4.35Å; I45-L47 VanDerWaalsContact C-N 3.28Å; I45-L47 HydrophobicContact CG2-CB 4.21Å; I45-L47 PolarHBondContact O-N 3.01Å; I45-K48 PolarHBondContact O-N 2.73Å; I45-M49 PolarHBondContact O-N 3.37Å; I45-Y120 HydrophobicContact CD1-CE2 4.36Å; I45-M126 HydrophobicContact CD1-CE 3.9Å; I45-M126 HydrophobicContact CD1-SD 4.37Å; I45-M126 HydrophobicContact CG2-CE 3.95Å; I45-M126 HydrophobicContact CG2-SD 4.04Å
46	D	96.9	Very high	96.7	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-53.9	-40.8	-177.8	66	-7.9	0	0	0	113.5	L44 K48 M49 I50 G89 T90 R95 V99	L44-D46 PolarHBondContact O-N 2.9Å; D46-K48 VanDerWaalsContact C-N 3.25Å; D46-K48 PolarHBondContact O-N 3.46Å; D46-M49 PolarHBondContact O-N 3.38Å; D46-M49 VanDerWaalsContact O-N 3.17Å; D46-I50 PolarHBondContact O-N 2.97Å; D46-G89 WeakPolarHBondContact CB-O 3.41Å; D46-G89 PolarHBondContact N-O 3.05Å; D46-T90 WeakPolarHBondContact OD2-CA 3.5Å; D46-T90 WeakPolarHBondContact OD2-CB 3.4Å; D46-T90 PolarHBondContact OD2-OG1 2.96Å; D46-R95 HydrophobicContact CB-CG 4.16Å; D46-R95 IonicContact OD1-NE 2.71Å; D46-R95 PolarHBondContact OD1-NE 3.4Å; D46-R95 IonicContact OD1-NH2 3.91Å; D46-R95 IonicContact OD2-CZ 2.7Å; D46-R95 VanDerWaalsContact OD2-CZ 3.32Å; D46-R95 IonicContact OD2-NE 2.8Å; D46-R95 PolarHBondContact OD2-NE 2.95Å; D46-R95 IonicContact OD2-NH2 3.17Å; D46-R95 PolarHBondContact OD2-NH2 2.78Å; D46-R95 VanDerWaalsContact OD2-NH2 3.12Å; D46-V99 HydrophobicContact CB-CG2 4.09Å
47	L	94.3	Very high	96.5	Very high	94 Å²	94	45.7 Å²	45.7	49%	0.492	23%	0.225	S	C	.	.	H	α-helix	trans	-60.7	-30.4	176.8	-74.3	168.5	0	0	0	113.1	I45 Q51	I45-L47 VanDerWaalsContact C-N 3.28Å; I45-L47 HydrophobicContact CG2-CB 4.21Å; I45-L47 PolarHBondContact O-N 3.01Å; L47-Q51 PolarHBondContact O-NE2 3.04Å
48	K	93.6	Very high	96.2	Very high	44 Å²	44	48.3 Å²	48.3	19%	0.191	24%	0.235	C	C	.	.	H	α-helix	trans	-84.2	-39.9	174.5	-175.2	60.8	174.6	180	0	110.6	I45 D46 Q51 C52 A67 D69 V73	I45-K48 PolarHBondContact O-N 2.73Å; D46-K48 VanDerWaalsContact C-N 3.25Å; D46-K48 PolarHBondContact O-N 3.46Å; K48-Q51 PolarHBondContact O-N 3.03Å; K48-C52 PolarHBondContact O-SG 3.34Å; K48-A67 HydrophobicContact CD-CB 4.41Å; K48-A67 VanDerWaalsContact CE-CB 3.48Å; K48-D69 IonicContact NZ-OD1 3.04Å; K48-D69 PolarHBondContact NZ-OD1 3.06Å; K48-D69 IonicContact NZ-OD2 3.89Å; K48-D69 PolarHBondContact NZ-OD2 3.29Å; K48-V73 HydrophobicContact CG-CG1 4.23Å; K48-V73 HydrophobicContact CG-CG2 4.11Å
49	M	98.1	Very high	95.8	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-65.8	-37.4	-178.8	-72.7	-60.8	-56.5	0	0	113.4	L44 I45 D46 Q51 C52 F65 V73 F74 F86 V99 L102 V103	L44-M49 HydrophobicContact CB-CG 4.05Å; L44-M49 HydrophobicContact CB-SD 4.22Å; L44-M49 HydrophobicContact CD1-SD 4.07Å; I45-M49 PolarHBondContact O-N 3.37Å; D46-M49 PolarHBondContact O-N 3.38Å; D46-M49 VanDerWaalsContact O-N 3.17Å; M49-Q51 PolarHBondContact O-N 3.28Å; M49-Q51 VanDerWaalsContact O-N 3.11Å; M49-C52 WeakPolarHBondContact O-CB 3.28Å; M49-C52 PolarHBondContact O-N 2.91Å; M49-F65 HydrophobicContact CE-CB 3.97Å; M49-F65 HydrophobicContact CE-CD1 4.35Å; M49-F65 HydrophobicContact CE-CG 4.16Å; M49-V73 HydrophobicContact SD-CB 4.08Å; M49-V73 HydrophobicContact SD-CG1 3.5Å; M49-V73 VanDerWaalsContact SD-CG1 3.5Å; M49-F74 HydrophobicContact CE-CB 4.31Å; M49-F86 HydrophobicContact CE-CE2 3.87Å; M49-F86 HydrophobicContact CE-CZ 3.65Å; M49-F86 HydrophobicContact CG-CZ 3.88Å; M49-F86 HydrophobicContact SD-CE2 4.37Å; M49-F86 HydrophobicContact SD-CZ 3.93Å; M49-V99 HydrophobicContact CB-CB 4.44Å; M49-V99 HydrophobicContact CB-CG1 3.68Å; M49-V99 HydrophobicContact CB-CG2 3.84Å; M49-V99 HydrophobicContact CG-CG1 4.23Å; M49-L102 WeakPolarHBondContact O-CD2 3.42Å; M49-V103 HydrophobicContact CE-CG1 4.03Å
50	I	95.3	Very high	95.7	Very high	80 Å²	80	49.5 Å²	49.5	41%	0.41	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-19.4	179.4	-163	60.2	0	0	0	113.2	D46 C52 A98 V99	D46-I50 PolarHBondContact O-N 2.97Å; I50-C52 VanDerWaalsContact C-N 3.32Å; I50-A98 HydrophobicContact CD1-CB 3.53Å; I50-V99 HydrophobicContact CB-CG2 4.21Å; I50-V99 HydrophobicContact CD1-CG2 4.43Å
51	Q	92.2	Very high	95.6	Very high	101 Å²	101	54 Å²	54	47%	0.472	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-9.4	175.4	-56.2	174.2	41.8	0	0	112.5	L47 K48 M49 P68	L47-Q51 PolarHBondContact O-NE2 3.04Å; K48-Q51 PolarHBondContact O-N 3.03Å; M49-Q51 PolarHBondContact O-N 3.28Å; M49-Q51 VanDerWaalsContact O-N 3.11Å; Q51-P68 HydrophobicContact CB-CG 3.99Å; Q51-P68 WeakPolarHBondContact O-CD 3.48Å
52	C	94.2	Very high	95.6	Very high	11 Å²	11	54.1 Å²	54.1	7%	0.074	28%	0.275	C	S	.	.			trans	-83.3	153.9	-172.9	-62.3	0	0	0	0	112	K48 M49 I50 F65 V66 L102	K48-C52 PolarHBondContact O-SG 3.34Å; M49-C52 WeakPolarHBondContact O-CB 3.28Å; M49-C52 PolarHBondContact O-N 2.91Å; I50-C52 VanDerWaalsContact C-N 3.32Å; C52-F65 HydrophobicContact CB-CB 4.14Å; C52-V66 CarbonylContact C-O 3.58Å; C52-V66 VanDerWaalsContact CA-O 3.22Å; C52-V66 WeakPolarHBondContact CA-O 3.26Å; C52-L102 HydrophobicContact CB-CD2 4.46Å
53	K	93.5	Very high	95.6	Very high	160 Å²	160	53.4 Å²	53.4	70%	0.696	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.3	137.1	169	-65	-176.9	179.4	-177.7	0	109.5	F65 V66	K53-F65 WeakPolarHBondContact O-CA 3.38Å; K53-V66 PolarHBondContact N-O 2.98Å; K53-V66 PolarHBondContact O-N 3.21Å
54	R	98.1	Very high	95.7	Very high	112 Å²	112	53 Å²	53	42%	0.423	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	123.9	169.4	-175	-174.6	178.4	-78.1	-2.8	109	V63 D64 F65 L102 D106	R54-V63 HydrophobicContact CG-CG1 3.64Å; R54-D64 CarbonylContact C-O 3.33Å; R54-D64 WeakPolarHBondContact CA-O 3.44Å; R54-F65 HydrophobicContact CB-CD1 4.22Å; R54-F65 HydrophobicContact CB-CE1 3.83Å; R54-F65 HydrophobicContact CB-CZ 4.49Å; R54-F65 HydrophobicContact CG-CE1 3.94Å; R54-F65 HydrophobicContact CG-CZ 4.1Å; R54-L102 HydrophobicContact CB-CD1 4.39Å; R54-D106 WeakPolarHBondContact CD-OD2 3.27Å; R54-D106 IonicContact CZ-OD1 3.63Å; R54-D106 IonicContact CZ-OD2 2.66Å; R54-D106 IonicContact NE-OD1 2.86Å; R54-D106 PolarHBondContact NE-OD1 3.43Å; R54-D106 IonicContact NE-OD2 3.9Å; R54-D106 PolarHBondContact NE-OD2 2.74Å; R54-D106 IonicContact NH2-OD1 3.25Å; R54-D106 PolarHBondContact NH2-OD1 3.1Å; R54-D106 IonicContact NH2-OD2 3.92Å
55	V	95.1	Very high	95.7	Very high	65 Å²	65	52.3 Å²	52.3	39%	0.394	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	125.5	-179.7	-179.7	0	0	0	0	108.1	D64 V66	V55-D64 PolarHBondContact N-O 2.95Å; V55-D64 PolarHBondContact O-N 3.4Å; V55-V66 HydrophobicContact CB-CG2 4.22Å; V55-V66 HydrophobicContact CG2-CB 4.43Å; V55-V66 HydrophobicContact CG2-CG2 3.93Å
56	V	96.9	Very high	95.6	Very high	85 Å²	85	51.5 Å²	51.5	52%	0.515	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	123.3	167.6	178.2	0	0	0	0	107.4	E58	V56-E58 HydrophobicContact CG1-CG 4.41Å
57	N	93.7	Very high	95	Very high	33 Å²	33	51.6 Å²	51.6	18%	0.176	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	93.5	-179.3	-176	-20.9	0	0	0	108.7	V59 L60 S61 T62 D64	N57-V59 VanDerWaalsContact C-N 3.26Å; N57-V59 PolarHBondContact O-N 3.04Å; N57-V59 WeakPolarHBondContact OD1-CB 3.49Å; N57-V59 PolarHBondContact OD1-N 2.67Å; N57-L60 WeakPolarHBondContact ND2-CD1 3.17Å; N57-L60 PolarHBondContact O-N 3.14Å; N57-L60 PolarHBondContact OD1-N 2.92Å; N57-S61 WeakPolarHBondContact O-CA 3.47Å; N57-S61 PolarHBondContact O-N 3.24Å; N57-T62 WeakPolarHBondContact CB-OG1 3.49Å; N57-T62 PolarHBondContact N-O 2.96Å; N57-T62 PolarHBondContact O-N 3.26Å; N57-D64 PolarHBondContact ND2-OD2 2.71Å
58	E	92.9	Very high	94.5	Very high	119 Å²	119	50.5 Å²	50.5	56%	0.556	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-29.8	-177.5	-66.9	-173.1	-154.2	0	0	112.9	V56 S61 L334	V56-E58 HydrophobicContact CG1-CG 4.41Å; E58-S61 PolarHBondContact O-N 3.15Å; E58-L334 HydrophobicContact CB-CD1 3.73Å; E58-L334 HydrophobicContact CB-CD2 4.11Å; E58-L334 WeakPolarHBondContact OE2-CD2 3.45Å
59	V	91.9	Very high	93.7	Very high	17 Å²	17	52.3 Å²	52.3	10%	0.103	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-45.2	177.6	176.5	0	0	0	0	110.6	N57 L327 Q330 R331 L334	N57-V59 VanDerWaalsContact C-N 3.26Å; N57-V59 PolarHBondContact O-N 3.04Å; N57-V59 WeakPolarHBondContact OD1-CB 3.49Å; N57-V59 PolarHBondContact OD1-N 2.67Å; V59-L327 HydrophobicContact CG1-CB 4.36Å; V59-L327 HydrophobicContact CG1-CD2 4.07Å; V59-Q330 HydrophobicContact CG1-CB 4.46Å; V59-Q330 PolarHBondContact O-OE1 2.98Å; V59-R331 HydrophobicContact CB-CG 4.31Å; V59-R331 HydrophobicContact CG1-CG 3.78Å; V59-R331 HydrophobicContact CG2-CB 4.39Å; V59-R331 HydrophobicContact CG2-CG 3.54Å; V59-L334 HydrophobicContact CB-CD1 4.5Å; V59-L334 HydrophobicContact CG2-CD1 3.52Å
60	L	95.2	Very high	93	Very high	10 Å²	10	57.3 Å²	57.3	5%	0.052	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-4.5	-177.1	-56.4	-179.2	0	0	0	112.8	N57 T62 D275 L327	N57-L60 WeakPolarHBondContact ND2-CD1 3.17Å; N57-L60 PolarHBondContact O-N 3.14Å; N57-L60 PolarHBondContact OD1-N 2.92Å; L60-T62 HydrophobicContact CB-CG2 3.84Å; L60-T62 WeakPolarHBondContact O-CG2 3.47Å; L60-T62 PolarHBondContact O-N 3.45Å; L60-D275 HydrophobicContact CD1-CB 3.85Å; L60-D275 HydrophobicContact CD2-CB 4.22Å; L60-L327 HydrophobicContact CD2-CD1 4.01Å; L60-L327 HydrophobicContact CD2-CD2 3.83Å
61	S	97.8	Very high	92.7	Very high	94 Å²	94	60.4 Å²	60.4	66%	0.657	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	44.7	-167.4	-59	0	0	0	0	111.9	N57 E58	N57-S61 WeakPolarHBondContact O-CA 3.47Å; N57-S61 PolarHBondContact O-N 3.24Å; E58-S61 PolarHBondContact O-N 3.15Å
62	T	98.7	Very high	92.9	Very high	4 Å²	4	58 Å²	58	3%	0.025	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	165.3	-179.3	62.1	0	0	0	0	112.6	L25 N57 L60 D64 R75 T76 C77 Y274	L25-T62 HydrophobicContact CD2-CG2 4.31Å; N57-T62 WeakPolarHBondContact CB-OG1 3.49Å; N57-T62 PolarHBondContact N-O 2.96Å; N57-T62 PolarHBondContact O-N 3.26Å; L60-T62 HydrophobicContact CB-CG2 3.84Å; L60-T62 WeakPolarHBondContact O-CG2 3.47Å; L60-T62 PolarHBondContact O-N 3.45Å; T62-D64 PolarHBondContact OG1-OD1 2.84Å; T62-R75 HydrophobicContact CG2-CG 3.91Å; T62-T76 CarbonylContact C-O 3.49Å; T62-T76 VanDerWaalsContact CA-O 3.29Å; T62-T76 WeakPolarHBondContact CA-O 3.49Å; T62-T76 WeakPolarHBondContact CB-O 3.09Å; T62-C77 HydrophobicContact CG2-CB 4.27Å; T62-Y274 HydrophobicContact CG2-CD1 3.52Å; T62-Y274 HydrophobicContact CG2-CE1 3.73Å
63	V	98.8	Very high	93.1	Very high	20 Å²	20	58.4 Å²	58.4	12%	0.121	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	123.3	160	-179.6	0	0	0	0	107.8	R54 F65 T76	R54-V63 HydrophobicContact CG-CG1 3.64Å; V63-F65 HydrophobicContact CG1-CE2 4Å; V63-F65 HydrophobicContact CG1-CZ 4.23Å; V63-T76 HydrophobicContact CB-CG2 4.04Å; V63-T76 PolarHBondContact N-O 3.01Å; V63-T76 PolarHBondContact O-N 3.07Å
64	D	98.6	Very high	93.3	Very high	5 Å²	5	51.1 Å²	51.1	3%	0.027	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	135.3	-176.5	-66.3	-9.5	0	0	0	110.2	R54 V55 N57 T62 V66 V72 R75	R54-D64 CarbonylContact C-O 3.33Å; R54-D64 WeakPolarHBondContact CA-O 3.44Å; V55-D64 PolarHBondContact N-O 2.95Å; V55-D64 PolarHBondContact O-N 3.4Å; N57-D64 PolarHBondContact ND2-OD2 2.71Å; T62-D64 PolarHBondContact OG1-OD1 2.84Å; D64-V66 HydrophobicContact CB-CG2 3.82Å; D64-V72 HydrophobicContact CB-CG1 4.02Å; D64-V72 HydrophobicContact CB-CG2 4.41Å; D64-R75 WeakPolarHBondContact OD1-CG 3.35Å; D64-R75 IonicContact OD1-CZ 3.99Å; D64-R75 IonicContact OD1-NE 2.99Å; D64-R75 PolarHBondContact OD1-NE 3.42Å; D64-R75 IonicContact OD1-NH2 2.81Å; D64-R75 IonicContact OD2-CZ 3.04Å; D64-R75 IonicContact OD2-NE 3.03Å; D64-R75 PolarHBondContact OD2-NE 3.31Å; D64-R75 IonicContact OD2-NH2 2.93Å; D64-R75 PolarHBondContact OD2-NH2 3.48Å
65	F	98.5	Very high	93.4	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	100.4	170.4	-64.8	-92.5	0	0	0	108.2	M49 C52 K53 R54 V63 V73 F74 L102 V103 D106	M49-F65 HydrophobicContact CE-CB 3.97Å; M49-F65 HydrophobicContact CE-CD1 4.35Å; M49-F65 HydrophobicContact CE-CG 4.16Å; C52-F65 HydrophobicContact CB-CB 4.14Å; K53-F65 WeakPolarHBondContact O-CA 3.38Å; R54-F65 HydrophobicContact CB-CD1 4.22Å; R54-F65 HydrophobicContact CB-CE1 3.83Å; R54-F65 HydrophobicContact CB-CZ 4.49Å; R54-F65 HydrophobicContact CG-CE1 3.94Å; R54-F65 HydrophobicContact CG-CZ 4.1Å; V63-F65 HydrophobicContact CG1-CE2 4Å; V63-F65 HydrophobicContact CG1-CZ 4.23Å; F65-V73 PolarHBondContact O-N 2.81Å; F65-F74 HydrophobicContact CB-CB 4.12Å; F65-F74 HydrophobicContact CD2-CB 3.98Å; F65-F74 AromaticContact CD2-CD1 3.42Å; F65-F74 HydrophobicContact CD2-CD1 3.42Å; F65-F74 VanDerWaalsContact CD2-CD1 3.42Å; F65-F74 HydrophobicContact CD2-CE1 4.32Å; F65-F74 HydrophobicContact CD2-CG 4.13Å; F65-F74 AromaticContact CE2-CD1 3.59Å; F65-F74 HydrophobicContact CE2-CD1 3.59Å; F65-F74 HydrophobicContact CE2-CE1 4.07Å; F65-F74 HydrophobicContact CG-CB 4.37Å; F65-F74 HydrophobicContact CG-CD1 4.36Å; F65-F74 PolarHBondContact N-O 3.03Å; F65-L102 HydrophobicContact CD1-CD1 4.19Å; F65-L102 HydrophobicContact CD1-CD2 4.09Å; F65-L102 HydrophobicContact CD1-CG 3.85Å; F65-L102 HydrophobicContact CE1-CD1 4.05Å; F65-L102 HydrophobicContact CE1-CD2 4.5Å; F65-L102 HydrophobicContact CE1-CG 3.77Å; F65-L102 WeakPolarHBondContact CE1-O 3.37Å; F65-V103 HydrophobicContact CD1-CG1 4.08Å; F65-V103 HydrophobicContact CE1-CB 4.35Å; F65-V103 HydrophobicContact CE1-CG1 3.68Å; F65-V103 HydrophobicContact CE2-CG1 4.25Å; F65-V103 HydrophobicContact CZ-CB 4.07Å; F65-V103 HydrophobicContact CZ-CG1 3.76Å; F65-D106 HydrophobicContact CZ-CB 4.41Å
66	V	93.4	Very high	93.5	Very high	27 Å²	27	44.3 Å²	44.3	16%	0.164	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	123.3	-166.4	-170.9	0	0	0	0	110.1	C52 K53 V55 D64 V72	C52-V66 CarbonylContact C-O 3.58Å; C52-V66 VanDerWaalsContact CA-O 3.22Å; C52-V66 WeakPolarHBondContact CA-O 3.26Å; K53-V66 PolarHBondContact N-O 2.98Å; K53-V66 PolarHBondContact O-N 3.21Å; V55-V66 HydrophobicContact CB-CG2 4.22Å; V55-V66 HydrophobicContact CG2-CB 4.43Å; V55-V66 HydrophobicContact CG2-CG2 3.93Å; D64-V66 HydrophobicContact CB-CG2 3.82Å; V66-V72 HydrophobicContact CG2-CG2 4.34Å
67	A	84.3	Confident	93.6	Very high	3 Å²	3	40.7 Å²	40.7	3%	0.025	22%	0.217	C	C	.	.			trans	-77.1	167.5	177.1	0	0	0	0	0	112.4	K48 D69 D70 R71 V73	K48-A67 HydrophobicContact CD-CB 4.41Å; K48-A67 VanDerWaalsContact CE-CB 3.48Å; A67-D69 WeakPolarHBondContact CB-OD1 3.34Å; A67-D69 PolarHBondContact O-N 3.31Å; A67-D70 PolarHBondContact O-N 3.47Å; A67-R71 PolarHBondContact N-O 2.78Å; A67-V73 HydrophobicContact CB-CG2 3.71Å
68	P	83.4	Confident	93.8	Very high	71 Å²	71	46.8 Å²	46.8	46%	0.461	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-10.2	-178.5	-24.2	35.5	0	0	0	114.7	Q51 K417	Q51-P68 HydrophobicContact CB-CG 3.99Å; Q51-P68 WeakPolarHBondContact O-CD 3.48Å; P68-K417 VanDerWaalsContact O-CD 3.24Å; P68-K417 WeakPolarHBondContact O-CD 3.42Å; P68-K417 WeakPolarHBondContact O-CE 3.48Å; P68-K417 PolarHBondContact O-NZ 3.38Å
69	D	78.2	Confident	94.1	Very high	81 Å²	81	46.6 Å²	46.6	43%	0.433	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	11.4	174.4	53.7	9.8	0	0	0	112.8	K48 A67 R71 K417	K48-D69 IonicContact NZ-OD1 3.04Å; K48-D69 PolarHBondContact NZ-OD1 3.06Å; K48-D69 IonicContact NZ-OD2 3.89Å; K48-D69 PolarHBondContact NZ-OD2 3.29Å; A67-D69 WeakPolarHBondContact CB-OD1 3.34Å; A67-D69 PolarHBondContact O-N 3.31Å; D69-R71 PolarHBondContact O-N 2.9Å; D69-R71 VanDerWaalsContact OD1-CB 3.32Å; D69-R71 WeakPolarHBondContact OD1-CB 3.36Å; D69-R71 PolarHBondContact OD1-N 3.36Å; D69-K417 VanDerWaalsContact CA-NZ 3.35Å
70	D	82.6	Confident	94.4	Very high	105 Å²	105	45.8 Å²	45.8	56%	0.561	23%	0.234	S	C	*	.	S	Bend	trans	64.8	5.9	-175.8	-62.1	-27.1	0	0	0	113.6	A67 V72 K417	A67-D70 PolarHBondContact O-N 3.47Å; D70-V72 PolarHBondContact O-N 3.45Å; D70-K417 IonicContact OD1-NZ 3.37Å; D70-K417 PolarHBondContact OD1-NZ 3.12Å; D70-K417 WeakPolarHBondContact OD2-CE 3.46Å; D70-K417 IonicContact OD2-NZ 3.63Å; D70-K417 PolarHBondContact OD2-NZ 2.7Å
71	R	88.6	Confident	94.5	Very high	146 Å²	146	48.1 Å²	48.1	55%	0.551	25%	0.245	S	C	*	.			trans	-74.5	127.5	174.3	-165.6	175.7	71.8	-165.9	7.2	109.3	A67 D69 V73	A67-R71 PolarHBondContact N-O 2.78Å; D69-R71 PolarHBondContact O-N 2.9Å; D69-R71 VanDerWaalsContact OD1-CB 3.32Å; D69-R71 WeakPolarHBondContact OD1-CB 3.36Å; D69-R71 PolarHBondContact OD1-N 3.36Å; R71-V73 PolarHBondContact O-N 2.66Å
72	V	96.6	Very high	94.5	Very high	49 Å²	49	49 Å²	49	30%	0.297	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	116.3	168.7	-175.7	0	0	0	0	108.1	D64 V66 D70 F74 R75	D64-V72 HydrophobicContact CB-CG1 4.02Å; D64-V72 HydrophobicContact CB-CG2 4.41Å; V66-V72 HydrophobicContact CG2-CG2 4.34Å; D70-V72 PolarHBondContact O-N 3.45Å; V72-F74 WeakPolarHBondContact CG1-O 3.25Å; V72-R75 HydrophobicContact CG1-CB 3.87Å
73	V	98.1	Very high	94.5	Very high	21 Å²	21	54.3 Å²	54.3	13%	0.127	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	-38.3	-177.8	-176.9	0	0	0	0	110.8	L44 K48 M49 F65 A67 R71	L44-V73 HydrophobicContact CD1-CG1 4.44Å; L44-V73 HydrophobicContact CD2-CG1 3.96Å; K48-V73 HydrophobicContact CG-CG1 4.23Å; K48-V73 HydrophobicContact CG-CG2 4.11Å; M49-V73 HydrophobicContact SD-CB 4.08Å; M49-V73 HydrophobicContact SD-CG1 3.5Å; M49-V73 VanDerWaalsContact SD-CG1 3.5Å; F65-V73 PolarHBondContact O-N 2.81Å; A67-V73 HydrophobicContact CB-CG2 3.71Å; R71-V73 PolarHBondContact O-N 2.66Å
74	F	98.8	Very high	94.5	Very high	6 Å²	6	53.3 Å²	53.3	3%	0.026	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	135.2	171.5	-178.9	-128.2	0	0	0	108.8	C41 L44 M49 F65 V72 T76 V84 F86 V107	C41-F74 HydrophobicContact CB-CD2 4.33Å; C41-F74 HydrophobicContact CB-CE2 3.79Å; L44-F74 HydrophobicContact CD1-CB 3.66Å; L44-F74 HydrophobicContact CD1-CD2 4.07Å; L44-F74 HydrophobicContact CD1-CG 4.11Å; M49-F74 HydrophobicContact CE-CB 4.31Å; F65-F74 HydrophobicContact CB-CB 4.12Å; F65-F74 HydrophobicContact CD2-CB 3.98Å; F65-F74 AromaticContact CD2-CD1 3.42Å; F65-F74 HydrophobicContact CD2-CD1 3.42Å; F65-F74 VanDerWaalsContact CD2-CD1 3.42Å; F65-F74 HydrophobicContact CD2-CE1 4.32Å; F65-F74 HydrophobicContact CD2-CG 4.13Å; F65-F74 AromaticContact CE2-CD1 3.59Å; F65-F74 HydrophobicContact CE2-CD1 3.59Å; F65-F74 HydrophobicContact CE2-CE1 4.07Å; F65-F74 HydrophobicContact CG-CB 4.37Å; F65-F74 HydrophobicContact CG-CD1 4.36Å; F65-F74 PolarHBondContact N-O 3.03Å; V72-F74 WeakPolarHBondContact CG1-O 3.25Å; F74-T76 HydrophobicContact CE1-CG2 4.05Å; F74-T76 HydrophobicContact CZ-CG2 4.38Å; F74-V84 HydrophobicContact CZ-CG2 4.33Å; F74-F86 HydrophobicContact CB-CE2 4.13Å; F74-F86 AromaticContact CD1-CD2 3.81Å; F74-F86 HydrophobicContact CD1-CD2 3.81Å; F74-F86 AromaticContact CD1-CE2 3.79Å; F74-F86 HydrophobicContact CD1-CE2 3.79Å; F74-F86 HydrophobicContact CD2-CD2 4.34Å; F74-F86 HydrophobicContact CD2-CE2 4.28Å; F74-F86 AromaticContact CE1-CD2 3.83Å; F74-F86 HydrophobicContact CE1-CD2 3.83Å; F74-F86 HydrophobicContact CE1-CE2 4.29Å; F74-F86 HydrophobicContact CE2-CD2 4.34Å; F74-F86 HydrophobicContact CG-CD2 4.11Å; F74-F86 AromaticContact CG-CE2 3.81Å; F74-F86 HydrophobicContact CG-CE2 3.81Å; F74-F86 HydrophobicContact CZ-CD2 4.11Å; F74-V107 HydrophobicContact CE1-CG1 3.76Å; F74-V107 HydrophobicContact CZ-CG1 4.02Å
75	R	98.8	Very high	94.5	Very high	32 Å²	32	53.1 Å²	53.1	12%	0.121	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	132.6	174.4	174	169	-78	162.6	-0.4	107.9	L25 R28 T62 D64 V72 Y274 D275	L25-R75 HydrophobicContact CD2-CG 3.79Å; R28-R75 PolarHBondContact NH2-O 2.94Å; T62-R75 HydrophobicContact CG2-CG 3.91Å; D64-R75 WeakPolarHBondContact OD1-CG 3.35Å; D64-R75 IonicContact OD1-CZ 3.99Å; D64-R75 IonicContact OD1-NE 2.99Å; D64-R75 PolarHBondContact OD1-NE 3.42Å; D64-R75 IonicContact OD1-NH2 2.81Å; D64-R75 IonicContact OD2-CZ 3.04Å; D64-R75 IonicContact OD2-NE 3.03Å; D64-R75 PolarHBondContact OD2-NE 3.31Å; D64-R75 IonicContact OD2-NH2 2.93Å; D64-R75 PolarHBondContact OD2-NH2 3.48Å; V72-R75 HydrophobicContact CG1-CB 3.87Å; R75-Y274 PolarHBondContact NH1-O 3.5Å; R75-D275 PolarHBondContact NH1-O 2.97Å
76	T	98.9	Very high	94.5	Very high	3 Å²	3	53.1 Å²	53.1	2%	0.018	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	166.5	177.3	-168.9	0	0	0	0	110.7	T62 V63 F74 E80 D106	T62-T76 CarbonylContact C-O 3.49Å; T62-T76 VanDerWaalsContact CA-O 3.29Å; T62-T76 WeakPolarHBondContact CA-O 3.49Å; T62-T76 WeakPolarHBondContact CB-O 3.09Å; V63-T76 HydrophobicContact CB-CG2 4.04Å; V63-T76 PolarHBondContact N-O 3.01Å; V63-T76 PolarHBondContact O-N 3.07Å; F74-T76 HydrophobicContact CE1-CG2 4.05Å; F74-T76 HydrophobicContact CZ-CG2 4.38Å; T76-E80 WeakPolarHBondContact CA-OE1 3.33Å; T76-E80 VanDerWaalsContact CB-OE1 3.3Å; T76-E80 WeakPolarHBondContact CB-OE1 3.42Å; T76-E80 WeakPolarHBondContact OG1-CG 3.48Å; T76-E80 PolarHBondContact OG1-OE1 3.22Å; T76-D106 HydrophobicContact CG2-CB 3.99Å
77	C	98.7	Very high	94.8	Very high	8 Å²	8	52 Å²	52	5%	0.054	25%	0.247	C	C	.	.			trans	-141.9	163.8	175.5	67.5	0	0	0	0	110.6	T62 R79 E80 Q81 Y274	T62-C77 HydrophobicContact CG2-CB 4.27Å; C77-R79 PolarHBondContact O-N 3.13Å; C77-E80 WeakPolarHBondContact O-CG 3.27Å; C77-E80 PolarHBondContact O-N 2.97Å; C77-E80 VanDerWaalsContact O-N 3.14Å; C77-Q81 PolarHBondContact O-N 3.23Å; C77-Y274 HydrophobicContact CB-CE1 4.22Å
78	E	98.3	Very high	95.5	Very high	162 Å²	162	51.8 Å²	51.8	76%	0.757	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-51.7	-36.6	-177.3	-174.8	179.9	178.7	0	0	112.7	E80 Q81	E78-E80 PolarHBondContact O-N 3.21Å; E78-E80 VanDerWaalsContact O-N 3.14Å; E78-Q81 WeakPolarHBondContact O-CB 3.34Å; E78-Q81 PolarHBondContact O-N 3.28Å; E78-Q81 VanDerWaalsContact O-N 3.08Å
79	R	98.4	Very high	96.1	Very high	114 Å²	114	48.4 Å²	48.4	43%	0.43	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-56.1	-34	-177.3	-170.8	173.8	-177	-140.7	-5.1	114.1	L29 D33 C77 Y270	L29-R79 HydrophobicContact CD2-CB 4.37Å; L29-R79 HydrophobicContact CD2-CG 4.42Å; D33-R79 IonicContact OD1-CZ 3.14Å; D33-R79 IonicContact OD1-NH1 3.97Å; D33-R79 PolarHBondContact OD1-NH1 2.82Å; D33-R79 IonicContact OD1-NH2 2.71Å; D33-R79 PolarHBondContact OD1-NH2 3.45Å; C77-R79 PolarHBondContact O-N 3.13Å; R79-Y270 PolarHBondContact NH1-OH 3.12Å
80	E	98.5	Very high	97.1	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-105	-3.4	178.9	66.2	167.8	-168.7	0	0	113.5	L25 R28 L29 L32 T76 C77 E78 N82 R83 V84	L25-E80 HydrophobicContact CD1-CG 4.31Å; L25-E80 WeakPolarHBondContact CD1-OE1 3.42Å; R28-E80 WeakPolarHBondContact CB-OE2 3.37Å; R28-E80 IonicContact CZ-OE1 2.7Å; R28-E80 IonicContact CZ-OE2 3.62Å; R28-E80 IonicContact NE-OE1 3.44Å; R28-E80 PolarHBondContact NE-OE1 2.99Å; R28-E80 IonicContact NE-OE2 2.86Å; R28-E80 PolarHBondContact NE-OE2 3.23Å; R28-E80 IonicContact NH2-OE1 3.56Å; R28-E80 PolarHBondContact NH2-OE1 3.3Å; R28-E80 IonicContact NH2-OE2 3.48Å; L29-E80 HydrophobicContact CD2-CB 4.17Å; L29-E80 HydrophobicContact CD2-CG 4.42Å; L32-E80 HydrophobicContact CD1-CB 3.71Å; T76-E80 WeakPolarHBondContact CA-OE1 3.33Å; T76-E80 VanDerWaalsContact CB-OE1 3.3Å; T76-E80 WeakPolarHBondContact CB-OE1 3.42Å; T76-E80 WeakPolarHBondContact OG1-CG 3.48Å; T76-E80 PolarHBondContact OG1-OE1 3.22Å; C77-E80 WeakPolarHBondContact O-CG 3.27Å; C77-E80 PolarHBondContact O-N 2.97Å; C77-E80 VanDerWaalsContact O-N 3.14Å; E78-E80 PolarHBondContact O-N 3.21Å; E78-E80 VanDerWaalsContact O-N 3.14Å; E80-N82 PolarHBondContact O-N 3.48Å; E80-R83 CarbonylContact O-C 3.56Å; E80-R83 WeakPolarHBondContact O-CA 3.35Å; E80-R83 PolarHBondContact O-N 3.19Å; E80-V84 HydrophobicContact CB-CB 4.19Å; E80-V84 HydrophobicContact CG-CB 4Å; E80-V84 HydrophobicContact CG-CG1 4.1Å; E80-V84 WeakPolarHBondContact O-CB 3.45Å; E80-V84 WeakPolarHBondContact O-CG1 3.38Å; E80-V84 PolarHBondContact O-N 3.15Å
81	Q	96.4	Very high	97.7	Very high	60 Å²	60	41 Å²	41	28%	0.28	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-37	-171.2	-175.4	-176.5	13.1	0	0	113.2	C77 E78 N105 V107 A108	C77-Q81 PolarHBondContact O-N 3.23Å; E78-Q81 WeakPolarHBondContact O-CB 3.34Å; E78-Q81 PolarHBondContact O-N 3.28Å; E78-Q81 VanDerWaalsContact O-N 3.08Å; Q81-N105 PolarHBondContact NE2-O 2.94Å; Q81-V107 CarbonylContact O-C 3.51Å; Q81-A108 WeakPolarHBondContact O-CB 3.36Å; Q81-A108 PolarHBondContact O-N 3.39Å; Q81-A108 VanDerWaalsContact O-N 3.17Å
82	N	97.6	Very high	98.2	Very high	113 Å²	113	37.2 Å²	37.2	60%	0.604	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.5	5.7	-179.7	-63.9	-41.4	0	0	0	114.2	L8 E80	L8-N82 WeakPolarHBondContact CD1-O 3.42Å; E80-N82 PolarHBondContact O-N 3.48Å
83	R	98.6	Very high	98.3	Very high	114 Å²	114	35.1 Å²	35.1	43%	0.43	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-137.5	-16.8	-173.7	-56.9	179.8	-145.8	-175.9	6.2	113.9	L32 D37 I38 V39 E80	L32-R83 HydrophobicContact CD2-CB 4.16Å; D37-R83 WeakPolarHBondContact O-CB 3.34Å; D37-R83 WeakPolarHBondContact O-CG 3.35Å; I38-R83 WeakPolarHBondContact CA-O 3.45Å; I38-R83 WeakPolarHBondContact CG2-O 3.15Å; V39-R83 PolarHBondContact N-O 2.92Å; E80-R83 CarbonylContact O-C 3.56Å; E80-R83 WeakPolarHBondContact O-CA 3.35Å; E80-R83 PolarHBondContact O-N 3.19Å
84	V	98.9	Very high	98.3	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	131	-178.9	68	0	0	0	0	111.1	V39 F74 E80 V107 A108 G109	V39-V84 HydrophobicContact CG2-CB 4.25Å; V39-V84 HydrophobicContact CG2-CG2 4.47Å; V39-V84 CarbonylContact O-C 3.5Å; V39-V84 VanDerWaalsContact O-CA 3.25Å; V39-V84 WeakPolarHBondContact O-CA 3.37Å; F74-V84 HydrophobicContact CZ-CG2 4.33Å; E80-V84 HydrophobicContact CB-CB 4.19Å; E80-V84 HydrophobicContact CG-CB 4Å; E80-V84 HydrophobicContact CG-CG1 4.1Å; E80-V84 WeakPolarHBondContact O-CB 3.45Å; E80-V84 WeakPolarHBondContact O-CG1 3.38Å; E80-V84 PolarHBondContact O-N 3.15Å; V84-V107 HydrophobicContact CG1-CB 3.96Å; V84-V107 HydrophobicContact CG1-CG1 3.93Å; V84-A108 WeakPolarHBondContact O-CB 3.18Å; V84-A108 PolarHBondContact O-N 3.22Å; V84-G109 PolarHBondContact O-N 3.19Å
85	V	98.9	Very high	98.3	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	125.1	172.8	178.5	0	0	0	0	109	L8 I38 V39 Y40 C41 G109 D111	L8-V85 HydrophobicContact CD2-CG2 3.68Å; I38-V85 HydrophobicContact CG2-CG2 3.65Å; V39-V85 PolarHBondContact O-N 3.37Å; Y40-V85 WeakPolarHBondContact CA-O 3.31Å; Y40-V85 HydrophobicContact CD1-CB 4.04Å; Y40-V85 HydrophobicContact CD1-CG1 3.83Å; Y40-V85 HydrophobicContact CD2-CB 3.83Å; Y40-V85 HydrophobicContact CD2-CG1 4.39Å; Y40-V85 HydrophobicContact CD2-CG2 4.2Å; Y40-V85 HydrophobicContact CE1-CB 3.99Å; Y40-V85 HydrophobicContact CE1-CG1 3.46Å; Y40-V85 VanDerWaalsContact CE1-CG1 3.46Å; Y40-V85 HydrophobicContact CE2-CB 3.75Å; Y40-V85 HydrophobicContact CE2-CG1 4.04Å; Y40-V85 HydrophobicContact CE2-CG2 3.76Å; Y40-V85 HydrophobicContact CG-CB 3.95Å; Y40-V85 HydrophobicContact CG-CG1 4.27Å; C41-V85 PolarHBondContact N-O 3.3Å; V85-G109 WeakPolarHBondContact CA-O 3.4Å; V85-D111 HydrophobicContact CG1-CB 3.75Å
86	F	98.9	Very high	98.3	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	112	178.2	-173.4	-89	0	0	0	110.4	L44 M49 F74 M88 V99 V103 V107 G109 I110 D111	L44-F86 HydrophobicContact CB-CE2 4.45Å; L44-F86 HydrophobicContact CB-CZ 3.89Å; L44-F86 HydrophobicContact CD1-CE2 3.57Å; L44-F86 HydrophobicContact CD1-CZ 3.84Å; L44-F86 HydrophobicContact CG-CZ 4.48Å; M49-F86 HydrophobicContact CE-CE2 3.87Å; M49-F86 HydrophobicContact CE-CZ 3.65Å; M49-F86 HydrophobicContact CG-CZ 3.88Å; M49-F86 HydrophobicContact SD-CE2 4.37Å; M49-F86 HydrophobicContact SD-CZ 3.93Å; F74-F86 HydrophobicContact CB-CE2 4.13Å; F74-F86 AromaticContact CD1-CD2 3.81Å; F74-F86 HydrophobicContact CD1-CD2 3.81Å; F74-F86 AromaticContact CD1-CE2 3.79Å; F74-F86 HydrophobicContact CD1-CE2 3.79Å; F74-F86 HydrophobicContact CD2-CD2 4.34Å; F74-F86 HydrophobicContact CD2-CE2 4.28Å; F74-F86 AromaticContact CE1-CD2 3.83Å; F74-F86 HydrophobicContact CE1-CD2 3.83Å; F74-F86 HydrophobicContact CE1-CE2 4.29Å; F74-F86 HydrophobicContact CE2-CD2 4.34Å; F74-F86 HydrophobicContact CG-CD2 4.11Å; F74-F86 AromaticContact CG-CE2 3.81Å; F74-F86 HydrophobicContact CG-CE2 3.81Å; F74-F86 HydrophobicContact CZ-CD2 4.11Å; F86-M88 HydrophobicContact CD1-CB 4.45Å; F86-M88 HydrophobicContact CD1-CE 4.39Å; F86-M88 HydrophobicContact CE1-CB 4.02Å; F86-M88 HydrophobicContact CE1-CE 4.44Å; F86-V99 HydrophobicContact CE1-CG1 3.93Å; F86-V99 HydrophobicContact CZ-CG1 4.41Å; F86-V103 HydrophobicContact CB-CG2 4.17Å; F86-V103 HydrophobicContact CD1-CG2 4.08Å; F86-V103 HydrophobicContact CD2-CG1 4.29Å; F86-V103 HydrophobicContact CD2-CG2 4.29Å; F86-V103 HydrophobicContact CE2-CG1 4.15Å; F86-V103 HydrophobicContact CG-CG2 3.92Å; F86-V103 HydrophobicContact CZ-CG1 4.43Å; F86-V107 HydrophobicContact CB-CB 4.44Å; F86-V107 HydrophobicContact CB-CG1 4.18Å; F86-V107 HydrophobicContact CB-CG2 4.14Å; F86-G109 PolarHBondContact N-O 3.28Å; F86-I110 HydrophobicContact CB-CD1 4.01Å; F86-D111 PolarHBondContact O-N 3.44Å
87	Q	98.9	Very high	98.2	Very high	3 Å²	3	41.1 Å²	41.1	1%	0.014	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	124	174.6	-175.9	176.8	81.9	0	0	111.3	P18 Y40 C41 L44 D111 N113	P18-Q87 HydrophobicContact CB-CB 4.22Å; P18-Q87 HydrophobicContact CB-CG 4.49Å; P18-Q87 VanDerWaalsContact CG-NE2 3.28Å; Y40-Q87 HydrophobicContact CD1-CB 4.49Å; C41-Q87 PolarHBondContact SG-N 3.27Å; L44-Q87 PolarHBondContact N-O 3.15Å; Q87-D111 WeakPolarHBondContact CA-O 3.48Å; Q87-D111 HydrophobicContact CB-CB 4.18Å; Q87-D111 HydrophobicContact CG-CB 4.29Å; Q87-D111 WeakPolarHBondContact CG-OD2 3.42Å; Q87-D111 PolarHBondContact NE2-OD2 3.12Å; Q87-N113 HydrophobicContact CG-CB 3.98Å; Q87-N113 PolarHBondContact OE1-ND2 3.42Å; Q87-N113 VanDerWaalsContact OE1-ND2 3.14Å
88	M	98.5	Very high	98.2	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	144.4	172.2	68.4	-179.7	72.4	0	0	113.3	L44 F86 T90 A96 V99 A100 I110 D111 V112 N113	L44-M88 VanDerWaalsContact O-CA 3.26Å; L44-M88 WeakPolarHBondContact O-CA 3.49Å; F86-M88 HydrophobicContact CD1-CB 4.45Å; F86-M88 HydrophobicContact CD1-CE 4.39Å; F86-M88 HydrophobicContact CE1-CB 4.02Å; F86-M88 HydrophobicContact CE1-CE 4.44Å; M88-T90 HydrophobicContact CG-CG2 4.08Å; M88-T90 HydrophobicContact SD-CG2 4.07Å; M88-A96 HydrophobicContact SD-CB 3.76Å; M88-V99 HydrophobicContact CE-CB 4.21Å; M88-V99 HydrophobicContact CE-CG1 3.92Å; M88-A100 HydrophobicContact CE-CB 4.08Å; M88-I110 HydrophobicContact CE-CG2 3.72Å; M88-D111 PolarHBondContact N-O 2.89Å; M88-V112 HydrophobicContact CG-CG2 4.44Å; M88-N113 PolarHBondContact O-N 2.89Å
89	G	97.6	Very high	98.3	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	121	158.4	0	0	0	0	0	108.7	E43 L44 D46	E43-G89 WeakPolarHBondContact OE1-CA 3.5Å; L44-G89 PolarHBondContact O-N 3.17Å; D46-G89 WeakPolarHBondContact CB-O 3.41Å; D46-G89 PolarHBondContact N-O 3.05Å
90	T	97.8	Very high	98.3	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.148	C	C	.	.			trans	-149.2	156.9	-177.9	-174.8	0	0	0	0	111.4	D46 M88 D92 A96 V112 L130 I140	D46-T90 WeakPolarHBondContact OD2-CA 3.5Å; D46-T90 WeakPolarHBondContact OD2-CB 3.4Å; D46-T90 PolarHBondContact OD2-OG1 2.96Å; M88-T90 HydrophobicContact CG-CG2 4.08Å; M88-T90 HydrophobicContact SD-CG2 4.07Å; T90-D92 PolarHBondContact OG1-N 2.75Å; T90-D92 PolarHBondContact OG1-O 3.38Å; T90-A96 HydrophobicContact CG2-CB 3.82Å; T90-V112 HydrophobicContact CG2-CG1 3.99Å; T90-L130 WeakPolarHBondContact O-CD1 3.46Å; T90-I140 HydrophobicContact CG2-CG2 4.08Å
91	S	96.3	Very high	98.3	Very high	30 Å²	30	36 Å²	36	21%	0.21	17%	0.172	C	C	.	.	S	Bend	trans	-136.3	11.7	173.3	57.6	0	0	0	0	112.3	G124 G125	S91-G124 WeakPolarHBondContact CB-O 3.46Å; S91-G124 PolarHBondContact OG-O 3Å; S91-G125 WeakPolarHBondContact CB-O 3.48Å
92	D	97.9	Very high	98.4	Very high	66 Å²	66	35.2 Å²	35.2	35%	0.353	17%	0.17	S	C	.	.			trans	-140.5	127.1	-176.7	-178.1	-89.5	0	0	0	111.2	T90 E94 R95 A96	T90-D92 PolarHBondContact OG1-N 2.75Å; T90-D92 PolarHBondContact OG1-O 3.38Å; D92-E94 PolarHBondContact OD1-N 3.46Å; D92-E94 VanDerWaalsContact OD1-N 3.16Å; D92-R95 HydrophobicContact CB-CB 4.12Å; D92-R95 VanDerWaalsContact CB-CZ 3.47Å; D92-R95 VanDerWaalsContact CB-NH1 3.26Å; D92-R95 VanDerWaalsContact CB-NH2 3.35Å; D92-R95 WeakPolarHBondContact OD1-CB 3.34Å; D92-R95 PolarHBondContact OD1-N 3.34Å; D92-R95 IonicContact OD1-NH1 2.75Å; D92-A96 VanDerWaalsContact O-CB 3.3Å; D92-A96 WeakPolarHBondContact O-CB 3.31Å; D92-A96 PolarHBondContact O-N 3.46Å
93	A	98.4	Very high	98.4	Very high	5 Å²	5	29.8 Å²	29.8	4%	0.041	14%	0.141	C	C	.	.	H	α-helix	trans	-67.2	-40.1	-171.6	0	0	0	0	0	113.7	L97 K139 I140 T143	A93-L97 WeakPolarHBondContact O-CB 3.45Å; A93-L97 PolarHBondContact O-N 3.02Å; A93-K139 HydrophobicContact CB-CD 4.48Å; A93-K139 HydrophobicContact CB-CG 4.01Å; A93-I140 HydrophobicContact CB-CG1 4.12Å; A93-T143 HydrophobicContact CB-CG2 4.25Å
94	E	98.6	Very high	98.4	Very high	121 Å²	121	25.9 Å²	25.9	57%	0.565	13%	0.128	S	C	*	.	H	α-helix	trans	-74.4	-39.2	-177.3	-66.2	-54.7	130	0	0	111.1	D92 L97 A98	D92-E94 PolarHBondContact OD1-N 3.46Å; D92-E94 VanDerWaalsContact OD1-N 3.16Å; E94-L97 PolarHBondContact O-N 3.45Å; E94-A98 WeakPolarHBondContact O-CB 3.43Å; E94-A98 PolarHBondContact O-N 3.13Å
95	R	98.4	Very high	98.3	Very high	55 Å²	55	30.7 Å²	30.7	21%	0.208	15%	0.154	C	C	.	.	H	α-helix	trans	-65.9	-40.6	174.3	-169	167.1	59.1	-101.2	-3.5	111.6	D46 D92 L97 A98 V99	D46-R95 HydrophobicContact CB-CG 4.16Å; D46-R95 IonicContact OD1-NE 2.71Å; D46-R95 PolarHBondContact OD1-NE 3.4Å; D46-R95 IonicContact OD1-NH2 3.91Å; D46-R95 IonicContact OD2-CZ 2.7Å; D46-R95 VanDerWaalsContact OD2-CZ 3.32Å; D46-R95 IonicContact OD2-NE 2.8Å; D46-R95 PolarHBondContact OD2-NE 2.95Å; D46-R95 IonicContact OD2-NH2 3.17Å; D46-R95 PolarHBondContact OD2-NH2 2.78Å; D46-R95 VanDerWaalsContact OD2-NH2 3.12Å; D92-R95 HydrophobicContact CB-CB 4.12Å; D92-R95 VanDerWaalsContact CB-CZ 3.47Å; D92-R95 VanDerWaalsContact CB-NH1 3.26Å; D92-R95 VanDerWaalsContact CB-NH2 3.35Å; D92-R95 WeakPolarHBondContact OD1-CB 3.34Å; D92-R95 PolarHBondContact OD1-N 3.34Å; D92-R95 IonicContact OD1-NH1 2.75Å; R95-L97 VanDerWaalsContact C-N 3.33Å; R95-L97 PolarHBondContact O-N 2.98Å; R95-A98 PolarHBondContact O-N 3.23Å; R95-V99 WeakPolarHBondContact O-CG2 3.45Å; R95-V99 PolarHBondContact O-N 3.37Å
96	A	98.8	Very high	98.3	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-57	-47.6	172.4	0	0	0	0	0	111.2	M88 T90 D92 A98 V99 A100 I140 L144	M88-A96 HydrophobicContact SD-CB 3.76Å; T90-A96 HydrophobicContact CG2-CB 3.82Å; D92-A96 VanDerWaalsContact O-CB 3.3Å; D92-A96 WeakPolarHBondContact O-CB 3.31Å; D92-A96 PolarHBondContact O-N 3.46Å; A96-A98 PolarHBondContact O-N 3.33Å; A96-V99 PolarHBondContact O-N 3.21Å; A96-A100 WeakPolarHBondContact O-CB 3.36Å; A96-A100 PolarHBondContact O-N 2.99Å; A96-I140 HydrophobicContact CB-CG2 4.23Å; A96-L144 HydrophobicContact CB-CD1 4.34Å; A96-L144 HydrophobicContact CB-CD2 4.11Å; A96-L144 HydrophobicContact CB-CG 4.36Å
97	L	98.8	Very high	98.3	Very high	13 Å²	13	31.2 Å²	31.2	7%	0.068	16%	0.156	C	C	.	.	H	α-helix	trans	-62.8	-42.3	178.6	179.8	58.9	0	0	0	112.8	A93 E94 R95 V99 A100 R101 T143 I148	A93-L97 WeakPolarHBondContact O-CB 3.45Å; A93-L97 PolarHBondContact O-N 3.02Å; E94-L97 PolarHBondContact O-N 3.45Å; R95-L97 VanDerWaalsContact C-N 3.33Å; R95-L97 PolarHBondContact O-N 2.98Å; L97-V99 VanDerWaalsContact C-N 3.34Å; L97-V99 PolarHBondContact O-N 3.04Å; L97-A100 PolarHBondContact O-N 3.22Å; L97-R101 HydrophobicContact CD1-CG 4.28Å; L97-R101 WeakPolarHBondContact O-CG 3.17Å; L97-R101 PolarHBondContact O-N 3.17Å; L97-T143 HydrophobicContact CB-CG2 3.99Å; L97-T143 HydrophobicContact CD2-CG2 3.82Å; L97-T143 HydrophobicContact CG-CG2 4.42Å; L97-I148 HydrophobicContact CD1-CG2 3.91Å
98	A	98.6	Very high	98.3	Very high	41 Å²	41	31.4 Å²	31.4	34%	0.339	16%	0.158	S	C	.	.	H	α-helix	trans	-62.3	-41.7	177.5	0	0	0	0	0	111.9	I50 E94 R95 A96 L102	I50-A98 HydrophobicContact CD1-CB 3.53Å; E94-A98 WeakPolarHBondContact O-CB 3.43Å; E94-A98 PolarHBondContact O-N 3.13Å; R95-A98 PolarHBondContact O-N 3.23Å; A96-A98 PolarHBondContact O-N 3.33Å; A98-L102 PolarHBondContact O-N 3.01Å; A98-L102 VanDerWaalsContact O-N 3.13Å
99	V	98.8	Very high	98.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-68.2	-40.1	174.9	172.6	0	0	0	0	111.6	D46 M49 I50 F86 M88 R95 A96 L97 R101 L102 V103	D46-V99 HydrophobicContact CB-CG2 4.09Å; M49-V99 HydrophobicContact CB-CB 4.44Å; M49-V99 HydrophobicContact CB-CG1 3.68Å; M49-V99 HydrophobicContact CB-CG2 3.84Å; M49-V99 HydrophobicContact CG-CG1 4.23Å; I50-V99 HydrophobicContact CB-CG2 4.21Å; I50-V99 HydrophobicContact CD1-CG2 4.43Å; F86-V99 HydrophobicContact CE1-CG1 3.93Å; F86-V99 HydrophobicContact CZ-CG1 4.41Å; M88-V99 HydrophobicContact CE-CB 4.21Å; M88-V99 HydrophobicContact CE-CG1 3.92Å; R95-V99 WeakPolarHBondContact O-CG2 3.45Å; R95-V99 PolarHBondContact O-N 3.37Å; A96-V99 PolarHBondContact O-N 3.21Å; L97-V99 VanDerWaalsContact C-N 3.34Å; L97-V99 PolarHBondContact O-N 3.04Å; V99-R101 PolarHBondContact O-N 2.9Å; V99-L102 WeakPolarHBondContact O-CB 3.28Å; V99-L102 PolarHBondContact O-N 3.31Å; V99-V103 PolarHBondContact O-N 3.37Å
100	A	98.8	Very high	98.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-60.8	-46.6	177.2	0	0	0	0	0	111.5	M88 A96 L97 L102 V103 E104 I110 L144 I148	M88-A100 HydrophobicContact CE-CB 4.08Å; A96-A100 WeakPolarHBondContact O-CB 3.36Å; A96-A100 PolarHBondContact O-N 2.99Å; L97-A100 PolarHBondContact O-N 3.22Å; A100-L102 VanDerWaalsContact C-N 3.27Å; A100-L102 PolarHBondContact O-N 3.44Å; A100-V103 PolarHBondContact O-N 3.32Å; A100-V103 VanDerWaalsContact O-N 3.17Å; A100-E104 WeakPolarHBondContact O-CB 3.18Å; A100-E104 PolarHBondContact O-N 3.16Å; A100-I110 HydrophobicContact CB-CD1 4.47Å; A100-I110 HydrophobicContact CB-CG1 4.26Å; A100-I110 HydrophobicContact CB-CG2 4.31Å; A100-L144 HydrophobicContact CB-CD2 3.66Å; A100-I148 HydrophobicContact CB-CD1 4.19Å; A100-I148 HydrophobicContact CB-CG2 3.85Å
101	R	98.5	Very high	98.4	Very high	134 Å²	134	31.4 Å²	31.4	51%	0.506	16%	0.158	S	C	.	.	H	α-helix	trans	-62.8	-31.8	175.7	-73.8	178.6	174.9	164.9	-0.3	113.5	L97 V99 V103 G147 I148	L97-R101 HydrophobicContact CD1-CG 4.28Å; L97-R101 WeakPolarHBondContact O-CG 3.17Å; L97-R101 PolarHBondContact O-N 3.17Å; V99-R101 PolarHBondContact O-N 2.9Å; R101-V103 VanDerWaalsContact C-N 3.28Å; R101-V103 PolarHBondContact O-N 2.98Å; R101-G147 PolarHBondContact NE-O 3.18Å; R101-G147 PolarHBondContact NH2-O 2.91Å; R101-I148 HydrophobicContact CG-CG2 4.06Å
102	L	98.4	Very high	98.5	Very high	44 Å²	44	30 Å²	30	23%	0.23	15%	0.148	C	C	.	.	H	α-helix	trans	-61.7	-37.8	175.9	175.1	62.5	0	0	0	111.4	M49 C52 R54 F65 A98 V99 A100	M49-L102 WeakPolarHBondContact O-CD2 3.42Å; C52-L102 HydrophobicContact CB-CD2 4.46Å; R54-L102 HydrophobicContact CB-CD1 4.39Å; F65-L102 HydrophobicContact CD1-CD1 4.19Å; F65-L102 HydrophobicContact CD1-CD2 4.09Å; F65-L102 HydrophobicContact CD1-CG 3.85Å; F65-L102 HydrophobicContact CE1-CD1 4.05Å; F65-L102 HydrophobicContact CE1-CD2 4.5Å; F65-L102 HydrophobicContact CE1-CG 3.77Å; F65-L102 WeakPolarHBondContact CE1-O 3.37Å; A98-L102 PolarHBondContact O-N 3.01Å; A98-L102 VanDerWaalsContact O-N 3.13Å; V99-L102 WeakPolarHBondContact O-CB 3.28Å; V99-L102 PolarHBondContact O-N 3.31Å; A100-L102 VanDerWaalsContact C-N 3.27Å; A100-L102 PolarHBondContact O-N 3.44Å
103	V	98.6	Very high	98.5	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-107.3	-14.2	-172	-53.7	0	0	0	0	114.7	M49 F65 F86 V99 A100 R101 N105 D106 V107 I110	M49-V103 HydrophobicContact CE-CG1 4.03Å; F65-V103 HydrophobicContact CD1-CG1 4.08Å; F65-V103 HydrophobicContact CE1-CB 4.35Å; F65-V103 HydrophobicContact CE1-CG1 3.68Å; F65-V103 HydrophobicContact CE2-CG1 4.25Å; F65-V103 HydrophobicContact CZ-CB 4.07Å; F65-V103 HydrophobicContact CZ-CG1 3.76Å; F86-V103 HydrophobicContact CB-CG2 4.17Å; F86-V103 HydrophobicContact CD1-CG2 4.08Å; F86-V103 HydrophobicContact CD2-CG1 4.29Å; F86-V103 HydrophobicContact CD2-CG2 4.29Å; F86-V103 HydrophobicContact CE2-CG1 4.15Å; F86-V103 HydrophobicContact CG-CG2 3.92Å; F86-V103 HydrophobicContact CZ-CG1 4.43Å; V99-V103 PolarHBondContact O-N 3.37Å; A100-V103 PolarHBondContact O-N 3.32Å; A100-V103 VanDerWaalsContact O-N 3.17Å; R101-V103 VanDerWaalsContact C-N 3.28Å; R101-V103 PolarHBondContact O-N 2.98Å; V103-N105 PolarHBondContact O-N 3.43Å; V103-D106 PolarHBondContact O-N 3.11Å; V103-V107 HydrophobicContact CG2-CG2 4.12Å; V103-V107 PolarHBondContact O-N 3.41Å; V103-I110 HydrophobicContact CG2-CD1 3.62Å
104	E	98.1	Very high	98.4	Very high	31 Å²	31	27.1 Å²	27.1	15%	0.145	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-24.3	-166.6	69.5	177.5	137.7	0	0	115.1	A100 D106 I148 R149 R150	A100-E104 WeakPolarHBondContact O-CB 3.18Å; A100-E104 PolarHBondContact O-N 3.16Å; E104-D106 VanDerWaalsContact C-N 3.35Å; E104-I148 WeakPolarHBondContact OE2-CB 3.29Å; E104-R149 PolarHBondContact OE2-N 2.87Å; E104-R150 HydrophobicContact CB-CG 4.06Å; E104-R150 PolarHBondContact O-NE 2.87Å; E104-R150 PolarHBondContact O-NH2 2.93Å
105	N	97.3	Very high	97.8	Very high	102 Å²	102	21.7 Å²	21.7	55%	0.545	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-18	179.4	-65.9	-47.5	0	0	0	113	Q81 V103	Q81-N105 PolarHBondContact NE2-O 2.94Å; V103-N105 PolarHBondContact O-N 3.43Å
106	D	98.4	Very high	97.3	Very high	11 Å²	11	19.8 Å²	19.8	6%	0.059	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.5	-1.8	-173.6	-53.3	-69.8	0	0	0	112.7	R54 F65 T76 V103 E104	R54-D106 WeakPolarHBondContact CD-OD2 3.27Å; R54-D106 IonicContact CZ-OD1 3.63Å; R54-D106 IonicContact CZ-OD2 2.66Å; R54-D106 IonicContact NE-OD1 2.86Å; R54-D106 PolarHBondContact NE-OD1 3.43Å; R54-D106 IonicContact NE-OD2 3.9Å; R54-D106 PolarHBondContact NE-OD2 2.74Å; R54-D106 IonicContact NH2-OD1 3.25Å; R54-D106 PolarHBondContact NH2-OD1 3.1Å; R54-D106 IonicContact NH2-OD2 3.92Å; F65-D106 HydrophobicContact CZ-CB 4.41Å; T76-D106 HydrophobicContact CG2-CB 3.99Å; V103-D106 PolarHBondContact O-N 3.11Å; E104-D106 VanDerWaalsContact C-N 3.35Å
107	V	98.6	Very high	96.6	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.117	C	C	.	.			trans	-132.9	157.9	-178.3	-52.7	0	0	0	0	112.1	F74 Q81 V84 F86 V103 I110 R150	F74-V107 HydrophobicContact CE1-CG1 3.76Å; F74-V107 HydrophobicContact CZ-CG1 4.02Å; Q81-V107 CarbonylContact O-C 3.51Å; V84-V107 HydrophobicContact CG1-CB 3.96Å; V84-V107 HydrophobicContact CG1-CG1 3.93Å; F86-V107 HydrophobicContact CB-CB 4.44Å; F86-V107 HydrophobicContact CB-CG1 4.18Å; F86-V107 HydrophobicContact CB-CG2 4.14Å; V103-V107 HydrophobicContact CG2-CG2 4.12Å; V103-V107 PolarHBondContact O-N 3.41Å; V107-I110 HydrophobicContact CG2-CD1 3.74Å; V107-R150 PolarHBondContact O-NE 3.5Å; V107-R150 VanDerWaalsContact O-NE 3.09Å
108	A	98.5	Very high	95.9	Very high	6 Å²	6	27.1 Å²	27.1	5%	0.05	14%	0.14	C	C	.	.	S	Bend	trans	-88	-24.1	-176.8	0	0	0	0	0	113.6	L8 Q81 V84 P151	L8-A108 HydrophobicContact CB-CB 4.43Å; L8-A108 HydrophobicContact CD1-CB 4.23Å; L8-A108 HydrophobicContact CD2-CB 3.92Å; L8-A108 HydrophobicContact CG-CB 4.44Å; Q81-A108 WeakPolarHBondContact O-CB 3.36Å; Q81-A108 PolarHBondContact O-N 3.39Å; Q81-A108 VanDerWaalsContact O-N 3.17Å; V84-A108 WeakPolarHBondContact O-CB 3.18Å; V84-A108 PolarHBondContact O-N 3.22Å; A108-P151 WeakPolarHBondContact O-CD 3.48Å; A108-P151 WeakPolarHBondContact O-CG 3.37Å
109	G	98.8	Very high	95.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	162.4	-179.6	0	0	0	0	0	112.3	V84 V85 F86 P151	V84-G109 PolarHBondContact O-N 3.19Å; V85-G109 WeakPolarHBondContact CA-O 3.4Å; F86-G109 PolarHBondContact N-O 3.28Å; G109-P151 WeakPolarHBondContact CA-O 3.18Å
110	I	98.9	Very high	94.1	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	135.2	175.4	-59.1	-58.9	0	0	0	108.8	F86 M88 A100 V103 V107 I148 P151 V152 T153	F86-I110 HydrophobicContact CB-CD1 4.01Å; M88-I110 HydrophobicContact CE-CG2 3.72Å; A100-I110 HydrophobicContact CB-CD1 4.47Å; A100-I110 HydrophobicContact CB-CG1 4.26Å; A100-I110 HydrophobicContact CB-CG2 4.31Å; V103-I110 HydrophobicContact CG2-CD1 3.62Å; V107-I110 HydrophobicContact CG2-CD1 3.74Å; I110-I148 HydrophobicContact CB-CD1 3.93Å; I110-I148 HydrophobicContact CG1-CD1 3.38Å; I110-P151 PolarHBondContact N-O 3.34Å; I110-V152 CarbonylContact O-C 3.4Å; I110-V152 VanDerWaalsContact O-CA 3.29Å; I110-V152 WeakPolarHBondContact O-CA 3.49Å; I110-T153 PolarHBondContact O-N 3.19Å
111	D	98.9	Very high	93.3	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	142.7	177.3	-173.1	81.5	0	0	0	112.2	Y40 V85 F86 Q87 M88 T153 C154	Y40-D111 HydrophobicContact CD1-CB 4.12Å; Y40-D111 HydrophobicContact CE1-CB 3.52Å; V85-D111 HydrophobicContact CG1-CB 3.75Å; F86-D111 PolarHBondContact O-N 3.44Å; Q87-D111 WeakPolarHBondContact CA-O 3.48Å; Q87-D111 HydrophobicContact CB-CB 4.18Å; Q87-D111 HydrophobicContact CG-CB 4.29Å; Q87-D111 WeakPolarHBondContact CG-OD2 3.42Å; Q87-D111 PolarHBondContact NE2-OD2 3.12Å; M88-D111 PolarHBondContact N-O 2.89Å; D111-T153 WeakPolarHBondContact CA-O 3.16Å; D111-T153 WeakPolarHBondContact CB-OG1 3.45Å; D111-T153 WeakPolarHBondContact OD1-CB 3.46Å; D111-T153 PolarHBondContact OD1-OG1 2.92Å; D111-C154 VanDerWaalsContact OD1-C 3.28Å; D111-C154 WeakPolarHBondContact OD1-CA 3.31Å; D111-C154 PolarHBondContact OD1-N 3.34Å
112	V	98.8	Very high	92.6	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	123.4	172.1	-179.8	0	0	0	0	110.3	M88 T90 M114 L130 I140 L141 L144 T153 C154 K155	M88-V112 HydrophobicContact CG-CG2 4.44Å; T90-V112 HydrophobicContact CG2-CG1 3.99Å; V112-M114 HydrophobicContact CB-CE 4.04Å; V112-M114 HydrophobicContact CG1-CE 3.66Å; V112-M114 HydrophobicContact CG1-CG 4.13Å; V112-M114 PolarHBondContact O-N 3.49Å; V112-L130 HydrophobicContact CG1-CD1 4.38Å; V112-I140 HydrophobicContact CG2-CG2 4.25Å; V112-L141 HydrophobicContact CB-CD2 4.25Å; V112-L141 HydrophobicContact CG2-CD2 4.04Å; V112-L144 HydrophobicContact CG2-CD1 3.46Å; V112-L144 VanDerWaalsContact CG2-CD1 3.46Å; V112-T153 PolarHBondContact N-O 3.5Å; V112-T153 VanDerWaalsContact N-O 3.07Å; V112-C154 HydrophobicContact CB-CB 4.37Å; V112-C154 WeakPolarHBondContact O-CA 3.2Å; V112-C154 WeakPolarHBondContact O-CB 3.21Å; V112-K155 PolarHBondContact O-N 3.08Å
113	N	98.2	Very high	91.8	Very high	11 Å²	11	37.4 Å²	37.4	6%	0.059	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	117.6	173.5	-171.7	-34.8	0	0	0	110.6	E43 Q87 M88 G115 C116 G127	E43-N113 HydrophobicContact CG-CB 4.26Å; E43-N113 PolarHBondContact OE1-ND2 3.05Å; E43-N113 PolarHBondContact OE2-ND2 3.31Å; Q87-N113 HydrophobicContact CG-CB 3.98Å; Q87-N113 PolarHBondContact OE1-ND2 3.42Å; Q87-N113 VanDerWaalsContact OE1-ND2 3.14Å; M88-N113 PolarHBondContact O-N 2.89Å; N113-G115 PolarHBondContact OD1-N 3.07Å; N113-C116 WeakPolarHBondContact OD1-CB 3.42Å; N113-C116 PolarHBondContact OD1-N 3.46Å; N113-G127 WeakPolarHBondContact O-CA 3.22Å; N113-G127 PolarHBondContact O-N 3.13Å
114	M	96.3	Very high	90.9	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	17.3	173.4	-59.2	179.8	-174.3	0	0	111.3	V112 G127 L130 L131 I137 L141 C154 K155 I156	V112-M114 HydrophobicContact CB-CE 4.04Å; V112-M114 HydrophobicContact CG1-CE 3.66Å; V112-M114 HydrophobicContact CG1-CG 4.13Å; V112-M114 PolarHBondContact O-N 3.49Å; M114-G127 CarbonylContact C-O 3.55Å; M114-G127 WeakPolarHBondContact CA-O 3.37Å; M114-L130 HydrophobicContact CG-CB 4.37Å; M114-L130 HydrophobicContact CG-CD1 3.91Å; M114-L131 HydrophobicContact CB-CD2 3.97Å; M114-L131 WeakPolarHBondContact O-CD1 3.43Å; M114-L131 WeakPolarHBondContact O-CD2 3.35Å; M114-L131 VanDerWaalsContact O-CG 3.25Å; M114-L131 WeakPolarHBondContact O-CG 3.47Å; M114-I137 HydrophobicContact CE-CB 4.43Å; M114-I137 HydrophobicContact CE-CG1 4.14Å; M114-I137 HydrophobicContact CE-CG2 3.89Å; M114-I137 HydrophobicContact SD-CD1 3.91Å; M114-I137 HydrophobicContact SD-CG1 3.91Å; M114-I137 HydrophobicContact SD-CG2 4.01Å; M114-L141 HydrophobicContact CE-CD1 3.89Å; M114-L141 HydrophobicContact CE-CD2 3.78Å; M114-L141 HydrophobicContact CE-CG 3.82Å; M114-C154 HydrophobicContact CE-CB 3.98Å; M114-C154 HydrophobicContact SD-CB 4.1Å; M114-K155 CarbonylContact C-O 3.59Å; M114-K155 WeakPolarHBondContact CA-O 3.28Å; M114-K155 WeakPolarHBondContact CB-O 3.4Å; M114-K155 PolarHBondContact N-O 2.98Å; M114-I156 HydrophobicContact CB-CG2 3.97Å; M114-I156 HydrophobicContact SD-CG2 4.27Å
115	G	86.1	Confident	90.3	Very high	8 Å²	8	38.8 Å²	38.8	8%	0.082	21%	0.205	C	C	.	.			trans	-122.7	-16	-170.2	0	0	0	0	0	115.1	N113 P117 K155	N113-G115 PolarHBondContact OD1-N 3.07Å; G115-P117 VanDerWaalsContact O-CD 3.27Å; G115-P117 WeakPolarHBondContact O-CD 3.4Å; G115-K155 PolarHBondContact N-O 3.38Å
116	C	86.5	Confident	89.9	Confident	15 Å²	15	34.4 Å²	34.4	10%	0.101	18%	0.181	C	C	.	.			trans	-70.3	118	-176.3	-169	0	0	0	0	111.5	N113 A128	N113-C116 WeakPolarHBondContact OD1-CB 3.42Å; N113-C116 PolarHBondContact OD1-N 3.46Å; C116-A128 WeakPolarHBondContact O-CB 3.45Å; C116-A128 PolarHBondContact O-N 2.99Å
117	P	84.1	Confident	89.6	Confident	41 Å²	41	33.9 Å²	33.9	27%	0.266	18%	0.178	S	C	.	.			trans	-89.5	-1.5	179.3	36.8	-35.4	0	0	0	113	G115 R187	G115-P117 VanDerWaalsContact O-CD 3.27Å; G115-P117 WeakPolarHBondContact O-CD 3.4Å; P117-R187 HydrophobicContact CB-CG 3.95Å
118	K	84.3	Confident	89.1	Confident	126 Å²	126	34 Å²	34	55%	0.548	18%	0.18	S	C	.	.	S	Bend	trans	-71.5	145.4	-173.7	-68.6	-171	171.5	-170.7	0	111.2	Y120 S121 T122	K118-Y120 VanDerWaalsContact C-N 3.3Å; K118-Y120 HydrophobicContact CB-CD1 3.78Å; K118-Y120 HydrophobicContact CB-CE1 3.52Å; K118-Y120 HydrophobicContact CD-CD1 4.37Å; K118-Y120 HydrophobicContact CD-CE1 3.57Å; K118-Y120 HydrophobicContact CG-CE1 4.16Å; K118-Y120 PolarHBondContact O-N 2.9Å; K118-S121 WeakPolarHBondContact O-CB 3.39Å; K118-S121 PolarHBondContact O-N 2.98Å; K118-T122 PolarHBondContact O-N 3.44Å; K118-T122 VanDerWaalsContact O-N 3.07Å; K118-T122 PolarHBondContact O-OG1 3Å
119	E	81.4	Confident	88.6	Confident	126 Å²	126	35 Å²	35	59%	0.589	19%	0.187	S	C	*	.	H	α-helix	trans	-56.7	-38.5	-173.7	-67.9	-164.9	175.7	0	0	114.6	S121 T122 K123	E119-S121 PolarHBondContact O-N 3.01Å; E119-T122 WeakPolarHBondContact CA-OG1 3.32Å; E119-T122 PolarHBondContact O-N 2.79Å; E119-K123 HydrophobicContact CB-CD 4.35Å; E119-K123 VanDerWaalsContact O-CB 3.27Å; E119-K123 WeakPolarHBondContact O-CB 3.46Å; E119-K123 WeakPolarHBondContact O-CG 3.21Å; E119-K123 PolarHBondContact O-N 3.23Å; E119-K123 IonicContact OE2-NZ 3.51Å; E119-K123 PolarHBondContact OE2-NZ 3.44Å
120	Y	79.4	Confident	88.3	Confident	104 Å²	104	35 Å²	35	41%	0.408	19%	0.187	S	C	.	.	H	α-helix	trans	-61.7	-26.2	179.4	73.8	-99.3	0	0	0	112.3	I45 K118	I45-Y120 HydrophobicContact CD1-CE2 4.36Å; K118-Y120 VanDerWaalsContact C-N 3.3Å; K118-Y120 HydrophobicContact CB-CD1 3.78Å; K118-Y120 HydrophobicContact CB-CE1 3.52Å; K118-Y120 HydrophobicContact CD-CD1 4.37Å; K118-Y120 HydrophobicContact CD-CE1 3.57Å; K118-Y120 HydrophobicContact CG-CE1 4.16Å; K118-Y120 PolarHBondContact O-N 2.9Å
121	S	81.8	Confident	87.9	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-85.3	-52.1	175.7	-179.2	0	0	0	0	110.5	K118 E119 K123 G124 M126 G127	K118-S121 WeakPolarHBondContact O-CB 3.39Å; K118-S121 PolarHBondContact O-N 2.98Å; E119-S121 PolarHBondContact O-N 3.01Å; S121-K123 PolarHBondContact O-N 3.35Å; S121-G124 PolarHBondContact O-N 3.21Å; S121-M126 CarbonylContact C-O 3.24Å; S121-M126 WeakPolarHBondContact O-CB 3.5Å; S121-M126 PolarHBondContact O-N 3.1Å; S121-M126 PolarHBondContact OG-O 3.34Å; S121-M126 VanDerWaalsContact OG-O 3.14Å; S121-G127 WeakPolarHBondContact OG-CA 3.43Å; S121-G127 PolarHBondContact OG-N 3.36Å
122	T	82.5	Confident	87.5	Confident	43 Å²	43	40.6 Å²	40.6	26%	0.264	23%	0.225	S	C	.	.	H	α-helix	trans	-68.7	-35.1	-172.4	56.2	0	0	0	0	113.2	K118 E119 G124 G125 A129	K118-T122 PolarHBondContact O-N 3.44Å; K118-T122 VanDerWaalsContact O-N 3.07Å; K118-T122 PolarHBondContact O-OG1 3Å; E119-T122 WeakPolarHBondContact CA-OG1 3.32Å; E119-T122 PolarHBondContact O-N 2.79Å; T122-G124 PolarHBondContact O-N 3.48Å; T122-G125 PolarHBondContact O-N 3.04Å; T122-A129 HydrophobicContact CG2-CB 4.36Å
123	K	82.8	Confident	87.4	Confident	161 Å²	161	42.9 Å²	42.9	70%	0.7	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-27.8	174.5	-74.5	174.5	170.8	162.6	0	112.9	E119 S121 G125	E119-K123 HydrophobicContact CB-CD 4.35Å; E119-K123 VanDerWaalsContact O-CB 3.27Å; E119-K123 WeakPolarHBondContact O-CB 3.46Å; E119-K123 WeakPolarHBondContact O-CG 3.21Å; E119-K123 PolarHBondContact O-N 3.23Å; E119-K123 IonicContact OE2-NZ 3.51Å; E119-K123 PolarHBondContact OE2-NZ 3.44Å; S121-K123 PolarHBondContact O-N 3.35Å; K123-G125 VanDerWaalsContact C-N 3.28Å
124	G	79.1	Confident	87.3	Confident	35 Å²	35	44.3 Å²	44.3	36%	0.361	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	4	174.1	0	0	0	0	0	114.3	S91 S121 T122 M126	S91-G124 WeakPolarHBondContact CB-O 3.46Å; S91-G124 PolarHBondContact OG-O 3Å; S121-G124 PolarHBondContact O-N 3.21Å; T122-G124 PolarHBondContact O-N 3.48Å; G124-M126 VanDerWaalsContact C-N 3.26Å; G124-M126 PolarHBondContact O-N 2.89Å
125	G	85.8	Confident	87.3	Confident	26 Å²	26	49.3 Å²	49.3	27%	0.268	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.7	19.2	-173.9	0	0	0	0	0	114	S91 T122 K123 L130	S91-G125 WeakPolarHBondContact CB-O 3.48Å; T122-G125 PolarHBondContact O-N 3.04Å; K123-G125 VanDerWaalsContact C-N 3.28Å; G125-L130 WeakPolarHBondContact O-CD2 3.49Å
126	M	90	Very high	87.9	Confident	9 Å²	9	52.6 Å²	52.6	4%	0.044	29%	0.286	C	S	.	.			trans	-105.4	173.1	-177.1	-50.3	179.2	-72.7	0	0	111	I45 S121 G124 A128 A129	I45-M126 HydrophobicContact CD1-CE 3.9Å; I45-M126 HydrophobicContact CD1-SD 4.37Å; I45-M126 HydrophobicContact CG2-CE 3.95Å; I45-M126 HydrophobicContact CG2-SD 4.04Å; S121-M126 CarbonylContact C-O 3.24Å; S121-M126 WeakPolarHBondContact O-CB 3.5Å; S121-M126 PolarHBondContact O-N 3.1Å; S121-M126 PolarHBondContact OG-O 3.34Å; S121-M126 VanDerWaalsContact OG-O 3.14Å; G124-M126 VanDerWaalsContact C-N 3.26Å; G124-M126 PolarHBondContact O-N 2.89Å; M126-A128 PolarHBondContact O-N 3.39Å; M126-A129 PolarHBondContact O-N 3.06Å
127	G	90.5	Very high	88.4	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	63.2	-135.3	176	0	0	0	0	0	111.5	N113 M114 S121 A129 L130	N113-G127 WeakPolarHBondContact O-CA 3.22Å; N113-G127 PolarHBondContact O-N 3.13Å; M114-G127 CarbonylContact C-O 3.55Å; M114-G127 WeakPolarHBondContact CA-O 3.37Å; S121-G127 WeakPolarHBondContact OG-CA 3.43Å; S121-G127 PolarHBondContact OG-N 3.36Å; G127-A129 PolarHBondContact O-N 3Å; G127-L130 WeakPolarHBondContact O-CB 3.43Å; G127-L130 PolarHBondContact O-N 3.46Å
128	A	87.7	Confident	89.1	Confident	4 Å²	4	52.6 Å²	52.6	3%	0.033	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-63.6	-15.1	-176.3	0	0	0	0	0	114.1	C116 M126 L130 L131 R187	C116-A128 WeakPolarHBondContact O-CB 3.45Å; C116-A128 PolarHBondContact O-N 2.99Å; M126-A128 PolarHBondContact O-N 3.39Å; A128-L130 VanDerWaalsContact C-N 3.3Å; A128-L131 HydrophobicContact CB-CD1 4.39Å; A128-L131 WeakPolarHBondContact O-CB 3.47Å; A128-L131 PolarHBondContact O-N 3.1Å; A128-R187 HydrophobicContact CB-CG 3.83Å
129	A	88.8	Confident	89.8	Confident	25 Å²	25	53.1 Å²	53.1	21%	0.207	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-71.1	-24	173.2	0	0	0	0	0	112.8	T122 M126 G127 L131 S132	T122-A129 HydrophobicContact CG2-CB 4.36Å; M126-A129 PolarHBondContact O-N 3.06Å; G127-A129 PolarHBondContact O-N 3Å; A129-L131 PolarHBondContact O-N 3.07Å; A129-S132 PolarHBondContact O-OG 3.14Å
130	L	92	Very high	90.6	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.005	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-66.8	-29	174.4	-73.8	174.6	0	0	0	112.1	T90 V112 M114 G125 G127 A128 S132 D133 K136 I137 I140	T90-L130 WeakPolarHBondContact O-CD1 3.46Å; V112-L130 HydrophobicContact CG1-CD1 4.38Å; M114-L130 HydrophobicContact CG-CB 4.37Å; M114-L130 HydrophobicContact CG-CD1 3.91Å; G125-L130 WeakPolarHBondContact O-CD2 3.49Å; G127-L130 WeakPolarHBondContact O-CB 3.43Å; G127-L130 PolarHBondContact O-N 3.46Å; A128-L130 VanDerWaalsContact C-N 3.3Å; L130-S132 PolarHBondContact O-N 3.08Å; L130-S132 VanDerWaalsContact O-N 3.11Å; L130-D133 CarbonylContact O-C 3.5Å; L130-D133 PolarHBondContact O-N 2.9Å; L130-K136 HydrophobicContact CD2-CD 3.58Å; L130-K136 HydrophobicContact CD2-CG 4Å; L130-I137 HydrophobicContact CB-CD1 4.3Å; L130-I137 HydrophobicContact CB-CG1 4.07Å; L130-I137 WeakPolarHBondContact O-CD1 3.43Å; L130-I140 HydrophobicContact CD2-CD1 4.1Å
131	L	90.8	Very high	91.6	Very high	13 Å²	13	42.2 Å²	42.2	7%	0.068	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-62.6	-21.7	-175	-61.1	176.8	0	0	0	113.4	M114 A128 A129 D133 I156 R157 L159 L168	M114-L131 HydrophobicContact CB-CD2 3.97Å; M114-L131 WeakPolarHBondContact O-CD1 3.43Å; M114-L131 WeakPolarHBondContact O-CD2 3.35Å; M114-L131 VanDerWaalsContact O-CG 3.25Å; M114-L131 WeakPolarHBondContact O-CG 3.47Å; A128-L131 HydrophobicContact CB-CD1 4.39Å; A128-L131 WeakPolarHBondContact O-CB 3.47Å; A128-L131 PolarHBondContact O-N 3.1Å; A129-L131 PolarHBondContact O-N 3.07Å; L131-D133 VanDerWaalsContact C-N 3.35Å; L131-I156 HydrophobicContact CD2-CB 4.18Å; L131-I156 HydrophobicContact CD2-CG2 4.08Å; L131-R157 HydrophobicContact CD1-CB 4.35Å; L131-L159 HydrophobicContact CB-CD2 4.08Å; L131-L159 HydrophobicContact CD1-CD2 4.33Å; L131-L168 HydrophobicContact CD2-CD2 3.91Å
132	S	91.2	Very high	92.4	Very high	104 Å²	104	43.7 Å²	43.7	73%	0.727	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-85.5	-3.2	174.2	50.8	0	0	0	0	114.2	A129 L130	A129-S132 PolarHBondContact O-OG 3.14Å; L130-S132 PolarHBondContact O-N 3.08Å; L130-S132 VanDerWaalsContact O-N 3.11Å
133	D	95.5	Very high	93.1	Very high	49 Å²	49	42.9 Å²	42.9	26%	0.262	24%	0.241	S	C	.	.			trans	-130.9	76.8	-178.5	-172.4	-12.6	0	0	0	110.7	L130 L131 D135 K136 I137	L130-D133 CarbonylContact O-C 3.5Å; L130-D133 PolarHBondContact O-N 2.9Å; L131-D133 VanDerWaalsContact C-N 3.35Å; D133-D135 PolarHBondContact O-N 3.38Å; D133-K136 HydrophobicContact CB-CB 4.08Å; D133-K136 PolarHBondContact O-N 2.91Å; D133-K136 WeakPolarHBondContact OD1-CB 3.31Å; D133-K136 PolarHBondContact OD1-N 2.6Å; D133-K136 VanDerWaalsContact OD2-CB 3.29Å; D133-K136 WeakPolarHBondContact OD2-CB 3.34Å; D133-K136 WeakPolarHBondContact OD2-CE 3.5Å; D133-K136 IonicContact OD2-NZ 2.81Å; D133-K136 PolarHBondContact OD2-NZ 2.9Å; D133-I137 PolarHBondContact O-N 2.94Å; D133-I137 VanDerWaalsContact O-N 3.09Å
134	P	96.3	Very high	93.9	Very high	40 Å²	40	35.2 Å²	35.2	26%	0.26	21%	0.208	S	C	.	.	H	α-helix	trans	-65.4	-24.4	-177.1	-20.5	33.8	0	0	0	113.5	I137 E138 L168	P134-I137 WeakPolarHBondContact O-CB 3.35Å; P134-I137 PolarHBondContact O-N 2.97Å; P134-E138 PolarHBondContact O-N 2.78Å; P134-L168 HydrophobicContact CB-CD1 3.94Å; P134-L168 HydrophobicContact CG-CD1 4.07Å
135	D	97.6	Very high	94.8	Very high	106 Å²	106	35.7 Å²	35.7	57%	0.567	20%	0.204	S	C	*	.	H	α-helix	trans	-66.5	-44.1	174.7	-64.6	-11.4	0	0	0	110.8	D133 E138 K139 R171	D133-D135 PolarHBondContact O-N 3.38Å; D135-E138 PolarHBondContact O-N 3Å; D135-K139 WeakPolarHBondContact O-CB 3.47Å; D135-K139 PolarHBondContact O-N 3.06Å; D135-R171 IonicContact OD1-CZ 3.4Å; D135-R171 IonicContact OD1-NH1 3.26Å; D135-R171 PolarHBondContact OD1-NH1 3.29Å; D135-R171 IonicContact OD1-NH2 2.71Å; D135-R171 PolarHBondContact OD1-NH2 2.96Å
136	K	97.6	Very high	95.4	Very high	76 Å²	76	43 Å²	43	33%	0.33	23%	0.228	S	C	.	.	H	α-helix	trans	-64.5	-40.2	173.6	-179.2	178.2	-73.6	128.5	0	111.9	L130 D133 K139 I140	L130-K136 HydrophobicContact CD2-CD 3.58Å; L130-K136 HydrophobicContact CD2-CG 4Å; D133-K136 HydrophobicContact CB-CB 4.08Å; D133-K136 PolarHBondContact O-N 2.91Å; D133-K136 WeakPolarHBondContact OD1-CB 3.31Å; D133-K136 PolarHBondContact OD1-N 2.6Å; D133-K136 VanDerWaalsContact OD2-CB 3.29Å; D133-K136 WeakPolarHBondContact OD2-CB 3.34Å; D133-K136 WeakPolarHBondContact OD2-CE 3.5Å; D133-K136 IonicContact OD2-NZ 2.81Å; D133-K136 PolarHBondContact OD2-NZ 2.9Å; K136-K139 PolarHBondContact O-N 3.34Å; K136-I140 HydrophobicContact CD-CD1 4.44Å; K136-I140 HydrophobicContact CG-CD1 3.78Å; K136-I140 HydrophobicContact CG-CG1 4.41Å; K136-I140 VanDerWaalsContact O-CG1 3.32Å; K136-I140 WeakPolarHBondContact O-CG1 3.3Å; K136-I140 PolarHBondContact O-N 2.78Å
137	I	98.1	Very high	95.8	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-56.6	-52.4	174.4	-74.4	174.2	0	0	0	110.6	M114 L130 D133 P134 K139 I140 L141 L168 I172	M114-I137 HydrophobicContact CE-CB 4.43Å; M114-I137 HydrophobicContact CE-CG1 4.14Å; M114-I137 HydrophobicContact CE-CG2 3.89Å; M114-I137 HydrophobicContact SD-CD1 3.91Å; M114-I137 HydrophobicContact SD-CG1 3.91Å; M114-I137 HydrophobicContact SD-CG2 4.01Å; L130-I137 HydrophobicContact CB-CD1 4.3Å; L130-I137 HydrophobicContact CB-CG1 4.07Å; L130-I137 WeakPolarHBondContact O-CD1 3.43Å; D133-I137 PolarHBondContact O-N 2.94Å; D133-I137 VanDerWaalsContact O-N 3.09Å; P134-I137 WeakPolarHBondContact O-CB 3.35Å; P134-I137 PolarHBondContact O-N 2.97Å; I137-K139 VanDerWaalsContact C-N 3.31Å; I137-K139 PolarHBondContact O-N 3.09Å; I137-I140 PolarHBondContact O-N 3.15Å; I137-L141 HydrophobicContact CG2-CD1 3.82Å; I137-L141 HydrophobicContact CG2-CG 4.4Å; I137-L141 WeakPolarHBondContact O-CB 3.27Å; I137-L141 WeakPolarHBondContact O-CG 3.38Å; I137-L141 PolarHBondContact O-N 2.59Å; I137-L168 HydrophobicContact CD1-CD1 4.09Å; I137-I172 HydrophobicContact CG2-CD1 4.23Å; I137-I172 HydrophobicContact CG2-CG1 3.68Å
138	E	98.4	Very high	96.2	Very high	56 Å²	56	44.2 Å²	44.2	26%	0.262	24%	0.239	S	C	.	.	H	α-helix	trans	-60.5	-41.8	179.5	-79.1	-175.2	175.4	0	0	112.2	P134 D135 S142 R171 T175	P134-E138 PolarHBondContact O-N 2.78Å; D135-E138 PolarHBondContact O-N 3Å; E138-S142 WeakPolarHBondContact O-CB 3.26Å; E138-S142 PolarHBondContact O-N 2.65Å; E138-S142 PolarHBondContact O-OG 3.21Å; E138-R171 WeakPolarHBondContact OE1-CB 3.33Å; E138-R171 VanDerWaalsContact OE1-CG 3.24Å; E138-R171 WeakPolarHBondContact OE1-CG 3.35Å; E138-R171 IonicContact OE1-CZ 3.2Å; E138-R171 IonicContact OE1-NE 3.63Å; E138-R171 PolarHBondContact OE1-NE 3.38Å; E138-R171 IonicContact OE1-NH2 2.65Å; E138-R171 PolarHBondContact OE1-NH2 2.77Å; E138-R171 IonicContact OE2-CZ 3.47Å; E138-R171 IonicContact OE2-NE 2.75Å; E138-R171 IonicContact OE2-NH2 2.71Å; E138-R171 PolarHBondContact OE2-NH2 2.83Å; E138-T175 HydrophobicContact CB-CG2 4.19Å; E138-T175 HydrophobicContact CG-CG2 3.88Å
139	K	98.7	Very high	96.6	Very high	137 Å²	137	55.2 Å²	55.2	60%	0.596	28%	0.28	S	S	*	.	H	α-helix	trans	-60.4	-49.8	177.1	-170	179.9	180	-179.2	0	111.4	A93 D135 K136 I137 S142 T143	A93-K139 HydrophobicContact CB-CD 4.48Å; A93-K139 HydrophobicContact CB-CG 4.01Å; D135-K139 WeakPolarHBondContact O-CB 3.47Å; D135-K139 PolarHBondContact O-N 3.06Å; K136-K139 PolarHBondContact O-N 3.34Å; I137-K139 VanDerWaalsContact C-N 3.31Å; I137-K139 PolarHBondContact O-N 3.09Å; K139-S142 PolarHBondContact O-OG 3.26Å; K139-T143 VanDerWaalsContact O-CB 3.28Å; K139-T143 WeakPolarHBondContact O-CB 3.25Å; K139-T143 PolarHBondContact O-N 2.59Å; K139-T143 VanDerWaalsContact O-N 3.1Å; K139-T143 PolarHBondContact O-OG1 3.01Å
140	I	98.8	Very high	97	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-61.9	-52.1	-179.9	-68	166.6	0	0	0	110.7	T90 A93 A96 V112 L130 K136 I137 T143 L144	T90-I140 HydrophobicContact CG2-CG2 4.08Å; A93-I140 HydrophobicContact CB-CG1 4.12Å; A96-I140 HydrophobicContact CB-CG2 4.23Å; V112-I140 HydrophobicContact CG2-CG2 4.25Å; L130-I140 HydrophobicContact CD2-CD1 4.1Å; K136-I140 HydrophobicContact CD-CD1 4.44Å; K136-I140 HydrophobicContact CG-CD1 3.78Å; K136-I140 HydrophobicContact CG-CG1 4.41Å; K136-I140 VanDerWaalsContact O-CG1 3.32Å; K136-I140 WeakPolarHBondContact O-CG1 3.3Å; K136-I140 PolarHBondContact O-N 2.78Å; I137-I140 PolarHBondContact O-N 3.15Å; I140-T143 PolarHBondContact O-N 3.49Å; I140-L144 HydrophobicContact CG2-CD1 4.07Å; I140-L144 WeakPolarHBondContact O-CG 3.2Å; I140-L144 PolarHBondContact O-N 3.29Å
141	L	98.9	Very high	97.3	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-67	-45	-174.9	-66.6	-179.7	0	0	0	112.2	V112 M114 I137 T143 L144 V145 V152 C154 I172 T175 I177	V112-L141 HydrophobicContact CB-CD2 4.25Å; V112-L141 HydrophobicContact CG2-CD2 4.04Å; M114-L141 HydrophobicContact CE-CD1 3.89Å; M114-L141 HydrophobicContact CE-CD2 3.78Å; M114-L141 HydrophobicContact CE-CG 3.82Å; I137-L141 HydrophobicContact CG2-CD1 3.82Å; I137-L141 HydrophobicContact CG2-CG 4.4Å; I137-L141 WeakPolarHBondContact O-CB 3.27Å; I137-L141 WeakPolarHBondContact O-CG 3.38Å; I137-L141 PolarHBondContact O-N 2.59Å; L141-T143 VanDerWaalsContact C-N 3.33Å; L141-T143 PolarHBondContact O-N 2.75Å; L141-L144 PolarHBondContact O-N 2.68Å; L141-V145 WeakPolarHBondContact O-CB 3.45Å; L141-V145 VanDerWaalsContact O-CG2 3.28Å; L141-V145 WeakPolarHBondContact O-CG2 3.4Å; L141-V145 PolarHBondContact O-N 2.89Å; L141-V152 HydrophobicContact CD2-CG1 4.26Å; L141-C154 HydrophobicContact CD2-CB 4.19Å; L141-I172 HydrophobicContact CD1-CG1 4.4Å; L141-I172 HydrophobicContact CD1-CG2 3.88Å; L141-T175 HydrophobicContact CB-CG2 3.95Å; L141-T175 WeakPolarHBondContact CB-OG1 3.45Å; L141-T175 HydrophobicContact CD1-CG2 4.33Å; L141-I177 HydrophobicContact CB-CG2 4.19Å; L141-I177 HydrophobicContact CD1-CG2 4Å; L141-I177 HydrophobicContact CD2-CG2 3.98Å; L141-I177 HydrophobicContact CG-CG2 4.28Å
142	S	98.7	Very high	97.7	Very high	30 Å²	30	56.8 Å²	56.8	21%	0.21	28%	0.282	C	S	.	.	H	α-helix	trans	-66.8	-34.2	179.6	66.2	0	0	0	0	112.6	E138 K139 K146	E138-S142 WeakPolarHBondContact O-CB 3.26Å; E138-S142 PolarHBondContact O-N 2.65Å; E138-S142 PolarHBondContact O-OG 3.21Å; K139-S142 PolarHBondContact O-OG 3.26Å; S142-K146 WeakPolarHBondContact O-CB 3.34Å; S142-K146 WeakPolarHBondContact O-CD 3.48Å; S142-K146 VanDerWaalsContact O-CG 3.23Å; S142-K146 WeakPolarHBondContact O-CG 3.41Å; S142-K146 PolarHBondContact O-N 3.26Å; S142-K146 VanDerWaalsContact O-N 3.12Å
143	T	98.9	Very high	98	Very high	26 Å²	26	51.8 Å²	51.8	16%	0.16	25%	0.247	C	C	.	.	H	α-helix	trans	-63.5	-44.7	171.7	-70	0	0	0	0	111.3	A93 L97 K139 I140 L141 G147	A93-T143 HydrophobicContact CB-CG2 4.25Å; L97-T143 HydrophobicContact CB-CG2 3.99Å; L97-T143 HydrophobicContact CD2-CG2 3.82Å; L97-T143 HydrophobicContact CG-CG2 4.42Å; K139-T143 VanDerWaalsContact O-CB 3.28Å; K139-T143 WeakPolarHBondContact O-CB 3.25Å; K139-T143 PolarHBondContact O-N 2.59Å; K139-T143 VanDerWaalsContact O-N 3.1Å; K139-T143 PolarHBondContact O-OG1 3.01Å; I140-T143 PolarHBondContact O-N 3.49Å; L141-T143 VanDerWaalsContact C-N 3.33Å; L141-T143 PolarHBondContact O-N 2.75Å; T143-G147 WeakPolarHBondContact O-CA 3.33Å; T143-G147 PolarHBondContact O-N 2.77Å
144	L	98.8	Very high	98.2	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-63.2	-53.8	176.8	-72.3	172.1	0	0	0	111.3	A96 A100 V112 I140 L141 K146 G147 I148 V152	A96-L144 HydrophobicContact CB-CD1 4.34Å; A96-L144 HydrophobicContact CB-CD2 4.11Å; A96-L144 HydrophobicContact CB-CG 4.36Å; A100-L144 HydrophobicContact CB-CD2 3.66Å; V112-L144 HydrophobicContact CG2-CD1 3.46Å; V112-L144 VanDerWaalsContact CG2-CD1 3.46Å; I140-L144 HydrophobicContact CG2-CD1 4.07Å; I140-L144 WeakPolarHBondContact O-CG 3.2Å; I140-L144 PolarHBondContact O-N 3.29Å; L141-L144 PolarHBondContact O-N 2.68Å; L144-K146 PolarHBondContact O-N 3.38Å; L144-G147 PolarHBondContact O-N 2.98Å; L144-I148 WeakPolarHBondContact O-CG1 3.35Å; L144-I148 PolarHBondContact O-N 2.9Å; L144-V152 HydrophobicContact CB-CG1 4.05Å; L144-V152 HydrophobicContact CB-CG2 3.89Å; L144-V152 HydrophobicContact CD1-CG1 4.22Å
145	V	98.8	Very high	98.3	Very high	46 Å²	46	48.6 Å²	48.6	28%	0.279	23%	0.227	S	C	.	.	H	α-helix	trans	-55.7	-39	-177.9	169.6	0	0	0	0	111.9	L141 V152 I177	L141-V145 WeakPolarHBondContact O-CB 3.45Å; L141-V145 VanDerWaalsContact O-CG2 3.28Å; L141-V145 WeakPolarHBondContact O-CG2 3.4Å; L141-V145 PolarHBondContact O-N 2.89Å; V145-V152 HydrophobicContact CG2-CB 3.84Å; V145-V152 HydrophobicContact CG2-CG1 4.32Å; V145-V152 HydrophobicContact CG2-CG2 4.05Å; V145-I177 HydrophobicContact CG2-CG2 4.15Å
146	K	98.6	Very high	98.4	Very high	178 Å²	178	43.6 Å²	43.6	77%	0.774	20%	0.2	S	C	*	.	H	α-helix	trans	-78.7	-22.9	177.3	-68.3	171.3	-175.5	172.4	0	113.6	S142 L144	S142-K146 WeakPolarHBondContact O-CB 3.34Å; S142-K146 WeakPolarHBondContact O-CD 3.48Å; S142-K146 VanDerWaalsContact O-CG 3.23Å; S142-K146 WeakPolarHBondContact O-CG 3.41Å; S142-K146 PolarHBondContact O-N 3.26Å; S142-K146 VanDerWaalsContact O-N 3.12Å; L144-K146 PolarHBondContact O-N 3.38Å
147	G	98.3	Very high	98.4	Very high	18 Å²	18	41.3 Å²	41.3	19%	0.186	19%	0.189	C	C	.	.	H	α-helix	trans	-100.1	-14.5	-164	0	0	0	0	0	116	R101 T143 L144	R101-G147 PolarHBondContact NE-O 3.18Å; R101-G147 PolarHBondContact NH2-O 2.91Å; T143-G147 WeakPolarHBondContact O-CA 3.33Å; T143-G147 PolarHBondContact O-N 2.77Å; L144-G147 PolarHBondContact O-N 2.98Å
148	I	97.9	Very high	98.4	Very high	17 Å²	17	41.5 Å²	41.5	9%	0.087	19%	0.19	C	C	.	.			trans	-133	166.3	179.9	67.2	172.3	0	0	0	111.9	L97 A100 R101 E104 I110 L144 R150 V152	L97-I148 HydrophobicContact CD1-CG2 3.91Å; A100-I148 HydrophobicContact CB-CD1 4.19Å; A100-I148 HydrophobicContact CB-CG2 3.85Å; R101-I148 HydrophobicContact CG-CG2 4.06Å; E104-I148 WeakPolarHBondContact OE2-CB 3.29Å; I110-I148 HydrophobicContact CB-CD1 3.93Å; I110-I148 HydrophobicContact CG1-CD1 3.38Å; L144-I148 WeakPolarHBondContact O-CG1 3.35Å; L144-I148 PolarHBondContact O-N 2.9Å; I148-R150 HydrophobicContact CD1-CB 4.17Å; I148-V152 HydrophobicContact CD1-CG2 3.81Å; I148-V152 HydrophobicContact CG1-CG2 4.13Å
149	R	95.4	Very high	98.3	Very high	236 Å²	236	40.6 Å²	40.6	89%	0.891	19%	0.187	S	C	*	.	S	Bend	trans	-93.6	-14.4	179.1	-63	179.1	-177.4	159.2	1.3	114.4	E104	E104-R149 PolarHBondContact OE2-N 2.87Å
150	R	97.6	Very high	98.2	Very high	53 Å²	53	38.5 Å²	38.5	20%	0.2	19%	0.187	C	C	.	.	S	Bend	trans	-81.6	148.9	-178.5	-61.2	-58.4	-176.8	-175.4	3.7	111	E104 V107 I148 V152	E104-R150 HydrophobicContact CB-CG 4.06Å; E104-R150 PolarHBondContact O-NE 2.87Å; E104-R150 PolarHBondContact O-NH2 2.93Å; V107-R150 PolarHBondContact O-NE 3.5Å; V107-R150 VanDerWaalsContact O-NE 3.09Å; I148-R150 HydrophobicContact CD1-CB 4.17Å; R150-V152 PolarHBondContact O-N 3.28Å
151	P	98.5	Very high	98.1	Very high	14 Å²	14	40.6 Å²	40.6	9%	0.091	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-58.2	134.1	171.1	24.1	-32.3	0	0	0	110.3	L8 Y10 A108 G109 I110 A178	L8-P151 HydrophobicContact CB-CG 3.92Å; Y10-P151 HydrophobicContact CE2-CB 3.99Å; Y10-P151 HydrophobicContact CE2-CG 4.14Å; A108-P151 WeakPolarHBondContact O-CD 3.48Å; A108-P151 WeakPolarHBondContact O-CG 3.37Å; G109-P151 WeakPolarHBondContact CA-O 3.18Å; I110-P151 PolarHBondContact N-O 3.34Å; P151-A178 HydrophobicContact CB-CB 3.52Å
152	V	98.9	Very high	98.1	Very high	4 Å²	4	44.5 Å²	44.5	2%	0.024	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	131.1	174.8	-179.2	0	0	0	0	108.3	I110 L141 L144 V145 I148 R150 I177 A178	I110-V152 CarbonylContact O-C 3.4Å; I110-V152 VanDerWaalsContact O-CA 3.29Å; I110-V152 WeakPolarHBondContact O-CA 3.49Å; L141-V152 HydrophobicContact CD2-CG1 4.26Å; L144-V152 HydrophobicContact CB-CG1 4.05Å; L144-V152 HydrophobicContact CB-CG2 3.89Å; L144-V152 HydrophobicContact CD1-CG1 4.22Å; V145-V152 HydrophobicContact CG2-CB 3.84Å; V145-V152 HydrophobicContact CG2-CG1 4.32Å; V145-V152 HydrophobicContact CG2-CG2 4.05Å; I148-V152 HydrophobicContact CD1-CG2 3.81Å; I148-V152 HydrophobicContact CG1-CG2 4.13Å; R150-V152 PolarHBondContact O-N 3.28Å; V152-I177 HydrophobicContact CB-CG2 4.4Å; V152-I177 HydrophobicContact CG1-CG2 4.05Å; V152-I177 CarbonylContact O-C 3.51Å; V152-I177 WeakPolarHBondContact O-CA 3.38Å; V152-I177 VanDerWaalsContact O-CB 3.28Å; V152-I177 WeakPolarHBondContact O-CB 3.5Å; V152-A178 PolarHBondContact O-N 3.42Å
153	T	98.9	Very high	98.1	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	170.7	171.6	63.4	0	0	0	0	110.6	Y10 Y40 I110 D111 V112 A179	Y10-T153 HydrophobicContact CD1-CG2 4.43Å; Y10-T153 HydrophobicContact CD2-CG2 4.45Å; Y10-T153 HydrophobicContact CE1-CG2 3.77Å; Y10-T153 HydrophobicContact CE2-CG2 3.82Å; Y10-T153 VanDerWaalsContact CZ-CG2 3.4Å; Y10-T153 WeakPolarHBondContact OH-CG2 3.44Å; Y40-T153 PolarHBondContact OH-OG1 3.06Å; I110-T153 PolarHBondContact O-N 3.19Å; D111-T153 WeakPolarHBondContact CA-O 3.16Å; D111-T153 WeakPolarHBondContact CB-OG1 3.45Å; D111-T153 WeakPolarHBondContact OD1-CB 3.46Å; D111-T153 PolarHBondContact OD1-OG1 2.92Å; V112-T153 PolarHBondContact N-O 3.5Å; V112-T153 VanDerWaalsContact N-O 3.07Å; T153-A179 WeakPolarHBondContact CA-O 3.47Å; T153-A179 VanDerWaalsContact CB-O 3.24Å; T153-A179 WeakPolarHBondContact CB-O 3.43Å; T153-A179 HydrophobicContact CG2-CB 3.88Å; T153-A179 WeakPolarHBondContact CG2-O 3.36Å
154	C	98.8	Very high	98	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	156	164.1	68.3	0	0	0	0	111.3	D111 V112 M114 L141 A181	D111-C154 VanDerWaalsContact OD1-C 3.28Å; D111-C154 WeakPolarHBondContact OD1-CA 3.31Å; D111-C154 PolarHBondContact OD1-N 3.34Å; V112-C154 HydrophobicContact CB-CB 4.37Å; V112-C154 WeakPolarHBondContact O-CA 3.2Å; V112-C154 WeakPolarHBondContact O-CB 3.21Å; M114-C154 HydrophobicContact CE-CB 3.98Å; M114-C154 HydrophobicContact SD-CB 4.1Å; L141-C154 HydrophobicContact CD2-CB 4.19Å; C154-A181 PolarHBondContact O-N 3.04Å
155	K	98.8	Very high	98	Very high	22 Å²	22	53.4 Å²	53.4	10%	0.096	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	120.2	175.6	-172.9	179	-169.3	-60.6	0	111.1	P18 V112 M114 G115 A181 N214 M240	P18-K155 HydrophobicContact CG-CD 3.81Å; V112-K155 PolarHBondContact O-N 3.08Å; M114-K155 CarbonylContact C-O 3.59Å; M114-K155 WeakPolarHBondContact CA-O 3.28Å; M114-K155 WeakPolarHBondContact CB-O 3.4Å; M114-K155 PolarHBondContact N-O 2.98Å; G115-K155 PolarHBondContact N-O 3.38Å; K155-A181 CarbonylContact C-O 2.91Å; K155-A181 WeakPolarHBondContact CA-O 3.3Å; K155-A181 HydrophobicContact CB-CB 4.07Å; K155-A181 HydrophobicContact CG-CB 3.87Å; K155-N214 WeakPolarHBondContact CE-OD1 3.49Å; K155-N214 PolarHBondContact NZ-OD1 3.3Å; K155-M240 HydrophobicContact CD-SD 3.96Å; K155-M240 VanDerWaalsContact CE-SD 3.54Å
156	I	98.4	Very high	98	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.005	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	168.3	-176.4	67.4	162.2	0	0	0	112.7	M114 L131 V169 I172 I180 A181 V182 H183	M114-I156 HydrophobicContact CB-CG2 3.97Å; M114-I156 HydrophobicContact SD-CG2 4.27Å; L131-I156 HydrophobicContact CD2-CB 4.18Å; L131-I156 HydrophobicContact CD2-CG2 4.08Å; I156-V169 HydrophobicContact CD1-CG1 3.68Å; I156-I172 HydrophobicContact CG2-CD1 4.16Å; I156-I180 HydrophobicContact CD1-CD1 3.8Å; I156-I180 HydrophobicContact CG1-CD1 4.06Å; I156-I180 HydrophobicContact CG1-CG1 4.33Å; I156-I180 HydrophobicContact CG2-CD1 4.28Å; I156-A181 PolarHBondContact N-O 3.41Å; I156-V182 HydrophobicContact CD1-CG2 4.23Å; I156-V182 HydrophobicContact CG1-CB 4.49Å; I156-V182 HydrophobicContact CG1-CG1 4.43Å; I156-V182 HydrophobicContact CG1-CG2 4.11Å; I156-H183 PolarHBondContact O-N 2.74Å
157	R	97.9	Very high	98	Very high	28 Å²	28	48 Å²	48	11%	0.106	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	157.9	157	-84.7	-170.8	177.6	-137.1	-0.9	109.3	L131 H183 R185 K186 E189	L131-R157 HydrophobicContact CD1-CB 4.35Å; R157-H183 HydrophobicContact CG-CB 4.11Å; R157-R185 VanDerWaalsContact CB-O 3.24Å; R157-R185 WeakPolarHBondContact CB-O 3.49Å; R157-R185 WeakPolarHBondContact CD-O 3.46Å; R157-R185 VanDerWaalsContact CG-O 3.29Å; R157-R185 WeakPolarHBondContact CG-O 3.33Å; R157-K186 PolarHBondContact NH1-O 3.13Å; R157-E189 PolarHBondContact NH1-O 3.17Å
158	I	98.1	Very high	98	Very high	5 Å²	5	47.5 Å²	47.5	3%	0.026	24%	0.238	C	C	.	.			trans	-72.5	154	175.3	62.3	170.2	0	0	0	111.1	T165 V182 H183 R185 K186 V199 I203	I158-T165 HydrophobicContact CB-CG2 4.29Å; I158-T165 HydrophobicContact CG2-CG2 4.26Å; I158-V182 HydrophobicContact CG2-CG1 3.82Å; I158-H183 PolarHBondContact N-O 2.83Å; I158-R185 VanDerWaalsContact CG1-C 3.45Å; I158-R185 PolarHBondContact N-O 3.18Å; I158-K186 HydrophobicContact CD1-CG 4.19Å; I158-K186 HydrophobicContact CG1-CG 3.96Å; I158-K186 WeakPolarHBondContact O-CA 3.46Å; I158-V199 HydrophobicContact CB-CG1 4.07Å; I158-V199 HydrophobicContact CD1-CB 4.3Å; I158-V199 HydrophobicContact CD1-CG1 4.18Å; I158-V199 HydrophobicContact CD1-CG2 4.27Å; I158-V199 HydrophobicContact CG2-CB 4.41Å; I158-V199 HydrophobicContact CG2-CG1 3.57Å; I158-I203 HydrophobicContact CG2-CD1 4.33Å
159	L	97.3	Very high	98	Very high	36 Å²	36	46.7 Å²	46.7	19%	0.188	23%	0.234	C	C	.	.			trans	-88.6	168.9	176.9	-61.9	-177.8	0	0	0	111.2	L131 S161 D164 T165 L168	L131-L159 HydrophobicContact CB-CD2 4.08Å; L131-L159 HydrophobicContact CD1-CD2 4.33Å; L159-S161 VanDerWaalsContact C-N 3.27Å; L159-S161 PolarHBondContact O-N 3.33Å; L159-D164 HydrophobicContact CB-CB 4.29Å; L159-D164 HydrophobicContact CD1-CB 3.77Å; L159-T165 WeakPolarHBondContact CB-OG1 3.43Å; L159-T165 PolarHBondContact N-OG1 3.03Å; L159-L168 HydrophobicContact CD1-CB 4.3Å; L159-L168 HydrophobicContact CD1-CD2 3.95Å; L159-L168 HydrophobicContact CG-CD2 4.35Å
160	P	96.1	Very high	98.2	Very high	93 Å²	93	39.7 Å²	39.7	60%	0.604	21%	0.21	S	C	*	.	S	Bend	trans	-56.9	-37.5	177.8	-28.7	37.6	0	0	0	114.3	K186	P160-K186 PolarHBondContact O-NZ 3.44Å
161	S	97.3	Very high	98.2	Very high	45 Å²	45	40 Å²	40	32%	0.315	21%	0.211	S	C	.	.	S	Bend	trans	-102.5	142	176.6	179.5	0	0	0	0	111.7	L159 E163 D164 T165	L159-S161 VanDerWaalsContact C-N 3.27Å; L159-S161 PolarHBondContact O-N 3.33Å; S161-E163 VanDerWaalsContact C-N 3.34Å; S161-E163 PolarHBondContact OG-N 2.8Å; S161-D164 WeakPolarHBondContact CB-OD2 3.41Å; S161-T165 WeakPolarHBondContact O-CB 3.35Å; S161-T165 PolarHBondContact O-N 2.92Å; S161-T165 VanDerWaalsContact O-N 3.11Å; S161-T165 PolarHBondContact O-OG1 3.47Å
162	L	97.7	Very high	98.2	Very high	83 Å²	83	39.3 Å²	39.3	44%	0.435	21%	0.207	S	C	.	.	H	α-helix	trans	-63.3	-41.8	171.2	177.3	61.4	0	0	0	110.9	D164 T165 L166 V199 A202	L162-D164 PolarHBondContact O-N 3.1Å; L162-T165 WeakPolarHBondContact O-CB 3.3Å; L162-T165 PolarHBondContact O-N 3.44Å; L162-L166 HydrophobicContact CD1-CD1 4.13Å; L162-L166 HydrophobicContact CD1-CD2 4.34Å; L162-L166 HydrophobicContact CD1-CG 3.97Å; L162-L166 HydrophobicContact CG-CD1 4.05Å; L162-L166 HydrophobicContact CG-CG 4.28Å; L162-L166 WeakPolarHBondContact O-CG 3.44Å; L162-L166 PolarHBondContact O-N 2.99Å; L162-V199 HydrophobicContact CD1-CG1 4.02Å; L162-V199 HydrophobicContact CD1-CG2 4.45Å; L162-A202 HydrophobicContact CD1-CB 3.93Å
163	E	98.3	Very high	98.2	Very high	153 Å²	153	41.1 Å²	41.1	72%	0.715	22%	0.215	S	C	*	.	H	α-helix	trans	-59.7	-48.9	-179.9	-176.6	178.1	-179.7	0	0	111.4	S161 T165 L166 S167	S161-E163 VanDerWaalsContact C-N 3.34Å; S161-E163 PolarHBondContact OG-N 2.8Å; E163-T165 VanDerWaalsContact C-N 3.29Å; E163-T165 PolarHBondContact O-N 3.36Å; E163-L166 PolarHBondContact O-N 3.4Å; E163-S167 WeakPolarHBondContact O-CB 3.25Å; E163-S167 PolarHBondContact O-N 2.92Å
164	D	97.8	Very high	98.2	Very high	87 Å²	87	49.9 Å²	49.9	47%	0.465	25%	0.249	S	C	.	.	H	α-helix	trans	-61.7	-40.9	177.3	-64.8	-26.3	0	0	0	111.2	L159 S161 L162 S167 L168	L159-D164 HydrophobicContact CB-CB 4.29Å; L159-D164 HydrophobicContact CD1-CB 3.77Å; S161-D164 WeakPolarHBondContact CB-OD2 3.41Å; L162-D164 PolarHBondContact O-N 3.1Å; D164-S167 PolarHBondContact O-N 2.85Å; D164-L168 WeakPolarHBondContact O-CB 3.49Å; D164-L168 PolarHBondContact O-N 3.2Å
165	T	98.4	Very high	98.2	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.012	25%	0.253	C	S	.	.	H	α-helix	trans	-60.7	-48.4	177.1	-57.1	0	0	0	0	110.7	I158 L159 S161 L162 E163 L168 V169 V199 I203	I158-T165 HydrophobicContact CB-CG2 4.29Å; I158-T165 HydrophobicContact CG2-CG2 4.26Å; L159-T165 WeakPolarHBondContact CB-OG1 3.43Å; L159-T165 PolarHBondContact N-OG1 3.03Å; S161-T165 WeakPolarHBondContact O-CB 3.35Å; S161-T165 PolarHBondContact O-N 2.92Å; S161-T165 VanDerWaalsContact O-N 3.11Å; S161-T165 PolarHBondContact O-OG1 3.47Å; L162-T165 WeakPolarHBondContact O-CB 3.3Å; L162-T165 PolarHBondContact O-N 3.44Å; E163-T165 VanDerWaalsContact C-N 3.29Å; E163-T165 PolarHBondContact O-N 3.36Å; T165-L168 PolarHBondContact O-N 3.45Å; T165-V169 WeakPolarHBondContact O-CG1 3.41Å; T165-V169 WeakPolarHBondContact O-CG2 3.12Å; T165-V169 PolarHBondContact O-N 3.22Å; T165-V199 HydrophobicContact CG2-CG1 4.28Å; T165-I203 HydrophobicContact CG2-CD1 3.66Å; T165-I203 HydrophobicContact CG2-CG1 4.15Å
166	L	98.7	Very high	98.2	Very high	36 Å²	36	51.8 Å²	51.8	19%	0.188	27%	0.271	C	S	.	.	H	α-helix	trans	-66	-37.4	179.3	-66.6	-178.5	0	0	0	112.2	L162 E163 V169 K170 A202 I203 T206	L162-L166 HydrophobicContact CD1-CD1 4.13Å; L162-L166 HydrophobicContact CD1-CD2 4.34Å; L162-L166 HydrophobicContact CD1-CG 3.97Å; L162-L166 HydrophobicContact CG-CD1 4.05Å; L162-L166 HydrophobicContact CG-CG 4.28Å; L162-L166 WeakPolarHBondContact O-CG 3.44Å; L162-L166 PolarHBondContact O-N 2.99Å; E163-L166 PolarHBondContact O-N 3.4Å; L166-V169 WeakPolarHBondContact O-CG2 3.42Å; L166-K170 VanDerWaalsContact O-CG 3.31Å; L166-K170 WeakPolarHBondContact O-CG 3.28Å; L166-K170 PolarHBondContact O-N 3.45Å; L166-A202 HydrophobicContact CD2-CB 4.33Å; L166-I203 HydrophobicContact CD2-CG1 3.95Å; L166-T206 HydrophobicContact CD2-CG2 4.41Å
167	S	98.4	Very high	98.2	Very high	74 Å²	74	52 Å²	52	52%	0.517	27%	0.272	S	S	.	.	H	α-helix	trans	-62.9	-46.9	174.5	-174.8	0	0	0	0	111.5	E163 D164 K170 R171	E163-S167 WeakPolarHBondContact O-CB 3.25Å; E163-S167 PolarHBondContact O-N 2.92Å; D164-S167 PolarHBondContact O-N 2.85Å; S167-K170 PolarHBondContact O-N 3.24Å; S167-R171 PolarHBondContact O-N 3.37Å; S167-R171 VanDerWaalsContact O-N 3.16Å
168	L	98.4	Very high	98.2	Very high	8 Å²	8	52.3 Å²	52.3	4%	0.042	28%	0.281	C	S	.	.	H	α-helix	trans	-62.4	-48.8	179.2	177	61.2	0	0	0	112	L131 P134 I137 L159 D164 T165 K170 R171 I172	L131-L168 HydrophobicContact CD2-CD2 3.91Å; P134-L168 HydrophobicContact CB-CD1 3.94Å; P134-L168 HydrophobicContact CG-CD1 4.07Å; I137-L168 HydrophobicContact CD1-CD1 4.09Å; L159-L168 HydrophobicContact CD1-CB 4.3Å; L159-L168 HydrophobicContact CD1-CD2 3.95Å; L159-L168 HydrophobicContact CG-CD2 4.35Å; D164-L168 WeakPolarHBondContact O-CB 3.49Å; D164-L168 PolarHBondContact O-N 3.2Å; T165-L168 PolarHBondContact O-N 3.45Å; L168-K170 VanDerWaalsContact C-N 3.3Å; L168-K170 PolarHBondContact O-N 3.09Å; L168-R171 WeakPolarHBondContact O-CB 3.49Å; L168-R171 PolarHBondContact O-N 2.85Å; L168-R171 VanDerWaalsContact O-N 3.13Å; L168-I172 HydrophobicContact CD1-CD1 4.04Å; L168-I172 HydrophobicContact CD1-CG1 4.27Å; L168-I172 HydrophobicContact CD2-CD1 4.45Å; L168-I172 HydrophobicContact CG-CD1 3.86Å; L168-I172 HydrophobicContact CG-CG1 4.47Å; L168-I172 WeakPolarHBondContact O-CG1 3.23Å; L168-I172 PolarHBondContact O-N 2.91Å
169	V	98.7	Very high	98.3	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-66.1	-31.9	-177.9	-61.9	0	0	0	0	112.6	I156 T165 L166 I172 E173 I180 I203 L207	I156-V169 HydrophobicContact CD1-CG1 3.68Å; T165-V169 WeakPolarHBondContact O-CG1 3.41Å; T165-V169 WeakPolarHBondContact O-CG2 3.12Å; T165-V169 PolarHBondContact O-N 3.22Å; L166-V169 WeakPolarHBondContact O-CG2 3.42Å; V169-I172 PolarHBondContact O-N 3.26Å; V169-E173 WeakPolarHBondContact O-CB 3.35Å; V169-E173 PolarHBondContact O-N 3.16Å; V169-I180 HydrophobicContact CB-CD1 4.44Å; V169-I180 HydrophobicContact CG1-CD1 3.94Å; V169-I203 HydrophobicContact CB-CG2 4.32Å; V169-I203 HydrophobicContact CG1-CD1 4.5Å; V169-I203 HydrophobicContact CG1-CG1 4.48Å; V169-I203 HydrophobicContact CG1-CG2 4.14Å; V169-I203 HydrophobicContact CG2-CG1 4.41Å; V169-I203 HydrophobicContact CG2-CG2 4.08Å; V169-L207 HydrophobicContact CB-CD1 4.12Å; V169-L207 HydrophobicContact CB-CD2 4.21Å; V169-L207 HydrophobicContact CG2-CD1 4.36Å; V169-L207 HydrophobicContact CG2-CD2 3.98Å; V169-L207 HydrophobicContact CG2-CG 4.32Å
170	K	98.7	Very high	98.4	Very high	90 Å²	90	50.3 Å²	50.3	39%	0.391	27%	0.271	S	S	.	.	H	α-helix	trans	-65.7	-38.5	171.7	-75.7	177.4	-177.3	179.8	0	112.4	L166 S167 L168 R174 T206	L166-K170 VanDerWaalsContact O-CG 3.31Å; L166-K170 WeakPolarHBondContact O-CG 3.28Å; L166-K170 PolarHBondContact O-N 3.45Å; S167-K170 PolarHBondContact O-N 3.24Å; L168-K170 VanDerWaalsContact C-N 3.3Å; L168-K170 PolarHBondContact O-N 3.09Å; K170-R174 WeakPolarHBondContact O-CG 3.46Å; K170-R174 PolarHBondContact O-N 3.12Å; K170-T206 HydrophobicContact CD-CG2 4.18Å; K170-T206 HydrophobicContact CG-CG2 3.96Å
171	R	98.4	Very high	98.5	Very high	58 Å²	58	45.9 Å²	45.9	22%	0.219	24%	0.242	C	C	.	.	H	α-helix	trans	-62.5	-48.1	171.1	-87.1	-173.2	80.8	167.7	1.6	110.7	D135 E138 S167 L168 E173 R174	D135-R171 IonicContact OD1-CZ 3.4Å; D135-R171 IonicContact OD1-NH1 3.26Å; D135-R171 PolarHBondContact OD1-NH1 3.29Å; D135-R171 IonicContact OD1-NH2 2.71Å; D135-R171 PolarHBondContact OD1-NH2 2.96Å; E138-R171 WeakPolarHBondContact OE1-CB 3.33Å; E138-R171 VanDerWaalsContact OE1-CG 3.24Å; E138-R171 WeakPolarHBondContact OE1-CG 3.35Å; E138-R171 IonicContact OE1-CZ 3.2Å; E138-R171 IonicContact OE1-NE 3.63Å; E138-R171 PolarHBondContact OE1-NE 3.38Å; E138-R171 IonicContact OE1-NH2 2.65Å; E138-R171 PolarHBondContact OE1-NH2 2.77Å; E138-R171 IonicContact OE2-CZ 3.47Å; E138-R171 IonicContact OE2-NE 2.75Å; E138-R171 IonicContact OE2-NH2 2.71Å; E138-R171 PolarHBondContact OE2-NH2 2.83Å; S167-R171 PolarHBondContact O-N 3.37Å; S167-R171 VanDerWaalsContact O-N 3.16Å; L168-R171 WeakPolarHBondContact O-CB 3.49Å; L168-R171 PolarHBondContact O-N 2.85Å; L168-R171 VanDerWaalsContact O-N 3.13Å; R171-E173 PolarHBondContact O-N 3.33Å; R171-R174 PolarHBondContact O-N 2.68Å
172	I	98.8	Very high	98.6	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-57.5	-47	179.2	-72.4	172	0	0	0	111.2	I137 L141 I156 L168 V169 R174 T175 I177 I180	I137-I172 HydrophobicContact CG2-CD1 4.23Å; I137-I172 HydrophobicContact CG2-CG1 3.68Å; L141-I172 HydrophobicContact CD1-CG1 4.4Å; L141-I172 HydrophobicContact CD1-CG2 3.88Å; I156-I172 HydrophobicContact CG2-CD1 4.16Å; L168-I172 HydrophobicContact CD1-CD1 4.04Å; L168-I172 HydrophobicContact CD1-CG1 4.27Å; L168-I172 HydrophobicContact CD2-CD1 4.45Å; L168-I172 HydrophobicContact CG-CD1 3.86Å; L168-I172 HydrophobicContact CG-CG1 4.47Å; L168-I172 WeakPolarHBondContact O-CG1 3.23Å; L168-I172 PolarHBondContact O-N 2.91Å; V169-I172 PolarHBondContact O-N 3.26Å; I172-R174 VanDerWaalsContact C-N 3.31Å; I172-R174 PolarHBondContact O-N 3.26Å; I172-T175 WeakPolarHBondContact O-CB 3.24Å; I172-T175 WeakPolarHBondContact O-CG2 3.38Å; I172-T175 PolarHBondContact O-N 3.45Å; I172-T175 VanDerWaalsContact O-N 3.12Å; I172-T175 PolarHBondContact O-OG1 3.23Å; I172-I177 HydrophobicContact CG2-CD1 3.3Å; I172-I177 HydrophobicContact CG2-CG1 4.11Å; I172-I180 HydrophobicContact CD1-CD1 4.31Å; I172-I180 HydrophobicContact CG2-CD1 4.06Å
173	E	98.8	Very high	98.6	Very high	41 Å²	41	41 Å²	41	19%	0.192	21%	0.212	C	C	.	.	H	α-helix	trans	-56.3	-42.8	179	175.3	177.3	-123.8	0	0	112.7	V169 R171 T175 G176 L207 S208 I209	V169-E173 WeakPolarHBondContact O-CB 3.35Å; V169-E173 PolarHBondContact O-N 3.16Å; R171-E173 PolarHBondContact O-N 3.33Å; E173-T175 PolarHBondContact O-N 3.44Å; E173-G176 PolarHBondContact O-N 3.31Å; E173-L207 HydrophobicContact CB-CD2 3.97Å; E173-L207 HydrophobicContact CG-CD2 4.47Å; E173-S208 WeakPolarHBondContact OE1-CA 3.41Å; E173-S208 WeakPolarHBondContact OE1-CB 3.42Å; E173-S208 PolarHBondContact OE1-N 3.12Å; E173-I209 HydrophobicContact CB-CD1 4.2Å; E173-I209 HydrophobicContact CG-CD1 4.26Å; E173-I209 HydrophobicContact CG-CG1 4.19Å; E173-I209 HydrophobicContact CG-CG2 4.14Å; E173-I209 PolarHBondContact OE1-N 3.27Å
174	R	98.6	Very high	98.6	Very high	185 Å²	185	33.8 Å²	33.8	70%	0.698	18%	0.178	S	C	*	.	H	α-helix	trans	-62.4	-16.2	-179.4	-68.6	170.3	-167.5	152.5	2.3	114	K170 R171 I172 G176	K170-R174 WeakPolarHBondContact O-CG 3.46Å; K170-R174 PolarHBondContact O-N 3.12Å; R171-R174 PolarHBondContact O-N 2.68Å; I172-R174 VanDerWaalsContact C-N 3.31Å; I172-R174 PolarHBondContact O-N 3.26Å; R174-G176 PolarHBondContact O-N 2.94Å
175	T	98.8	Very high	98.6	Very high	16 Å²	16	29.7 Å²	29.7	10%	0.098	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-16.2	175.5	69.8	0	0	0	0	112.9	E138 L141 I172 E173	E138-T175 HydrophobicContact CB-CG2 4.19Å; E138-T175 HydrophobicContact CG-CG2 3.88Å; L141-T175 HydrophobicContact CB-CG2 3.95Å; L141-T175 WeakPolarHBondContact CB-OG1 3.45Å; L141-T175 HydrophobicContact CD1-CG2 4.33Å; I172-T175 WeakPolarHBondContact O-CB 3.24Å; I172-T175 WeakPolarHBondContact O-CG2 3.38Å; I172-T175 PolarHBondContact O-N 3.45Å; I172-T175 VanDerWaalsContact O-N 3.12Å; I172-T175 PolarHBondContact O-OG1 3.23Å; E173-T175 PolarHBondContact O-N 3.44Å
176	G	98.5	Very high	98.5	Very high	46 Å²	46	32.7 Å²	32.7	47%	0.474	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.6	19.4	179.8	0	0	0	0	0	114.5	E173 R174	E173-G176 PolarHBondContact O-N 3.31Å; R174-G176 PolarHBondContact O-N 2.94Å
177	I	98.8	Very high	98.1	Very high	4 Å²	4	36.8 Å²	36.8	2%	0.021	18%	0.182	C	C	.	.			trans	-61.4	150	172.3	58.4	160.9	0	0	0	111.6	L141 V145 V152 I172 I180 I209	L141-I177 HydrophobicContact CB-CG2 4.19Å; L141-I177 HydrophobicContact CD1-CG2 4Å; L141-I177 HydrophobicContact CD2-CG2 3.98Å; L141-I177 HydrophobicContact CG-CG2 4.28Å; V145-I177 HydrophobicContact CG2-CG2 4.15Å; V152-I177 HydrophobicContact CB-CG2 4.4Å; V152-I177 HydrophobicContact CG1-CG2 4.05Å; V152-I177 CarbonylContact O-C 3.51Å; V152-I177 WeakPolarHBondContact O-CA 3.38Å; V152-I177 VanDerWaalsContact O-CB 3.28Å; V152-I177 WeakPolarHBondContact O-CB 3.5Å; I172-I177 HydrophobicContact CG2-CD1 3.3Å; I172-I177 HydrophobicContact CG2-CG1 4.11Å; I177-I180 HydrophobicContact CD1-CB 4.15Å; I177-I209 HydrophobicContact CD1-CD1 3.85Å; I177-I209 HydrophobicContact CG1-CD1 3.78Å
178	A	98.7	Very high	97.8	Very high	35 Å²	35	38.1 Å²	38.1	29%	0.289	18%	0.18	S	C	.	.	S	Bend	trans	-80.7	-26.5	-174.7	0	0	0	0	0	113.9	Y10 P151 V152 P210	Y10-A178 HydrophobicContact CD2-CB 4.37Å; Y10-A178 HydrophobicContact CE2-CB 4.18Å; P151-A178 HydrophobicContact CB-CB 3.52Å; V152-A178 PolarHBondContact O-N 3.42Å; A178-P210 VanDerWaalsContact O-CD 3.28Å; A178-P210 WeakPolarHBondContact O-CD 3.35Å
179	A	98.9	Very high	97.6	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.6	159.5	177.9	0	0	0	0	0	110.5	Y10 T153 P210 I212	Y10-A179 HydrophobicContact CD1-CB 4.06Å; Y10-A179 HydrophobicContact CD2-CB 3.95Å; Y10-A179 HydrophobicContact CG-CB 3.63Å; T153-A179 WeakPolarHBondContact CA-O 3.47Å; T153-A179 VanDerWaalsContact CB-O 3.24Å; T153-A179 WeakPolarHBondContact CB-O 3.43Å; T153-A179 HydrophobicContact CG2-CB 3.88Å; T153-A179 WeakPolarHBondContact CG2-O 3.36Å; A179-P210 WeakPolarHBondContact CA-O 3.45Å; A179-P210 HydrophobicContact CB-CB 3.98Å; A179-P210 HydrophobicContact CB-CG 4.32Å; A179-P210 WeakPolarHBondContact CB-O 3.36Å; A179-I212 HydrophobicContact CB-CD1 4.07Å
180	I	98.9	Very high	97.2	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	129.4	175.2	-171	172.2	0	0	0	111.2	I156 V169 I172 I177 V182 L207 I209 P210 V211 I212	I156-I180 HydrophobicContact CD1-CD1 3.8Å; I156-I180 HydrophobicContact CG1-CD1 4.06Å; I156-I180 HydrophobicContact CG1-CG1 4.33Å; I156-I180 HydrophobicContact CG2-CD1 4.28Å; V169-I180 HydrophobicContact CB-CD1 4.44Å; V169-I180 HydrophobicContact CG1-CD1 3.94Å; I172-I180 HydrophobicContact CD1-CD1 4.31Å; I172-I180 HydrophobicContact CG2-CD1 4.06Å; I177-I180 HydrophobicContact CD1-CB 4.15Å; I180-V182 HydrophobicContact CG1-CG2 4.33Å; I180-V182 HydrophobicContact CG2-CG2 4.44Å; I180-L207 HydrophobicContact CG2-CD1 3.63Å; I180-I209 HydrophobicContact CB-CD1 4.41Å; I180-I209 HydrophobicContact CG2-CD1 4.25Å; I180-P210 PolarHBondContact N-O 2.85Å; I180-V211 HydrophobicContact CG2-CG2 3.96Å; I180-V211 WeakPolarHBondContact O-CA 3.47Å; I180-I212 PolarHBondContact O-N 3.34Å
181	A	98.9	Very high	96.7	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	125	172.2	0	0	0	0	0	110.9	C154 K155 I156 I212 M240	C154-A181 PolarHBondContact O-N 3.04Å; K155-A181 CarbonylContact C-O 2.91Å; K155-A181 WeakPolarHBondContact CA-O 3.3Å; K155-A181 HydrophobicContact CB-CB 4.07Å; K155-A181 HydrophobicContact CG-CB 3.87Å; I156-A181 PolarHBondContact N-O 3.41Å; A181-I212 WeakPolarHBondContact CA-O 3.47Å; A181-I212 HydrophobicContact CB-CB 4.08Å; A181-I212 HydrophobicContact CB-CD1 4.33Å; A181-M240 HydrophobicContact CB-CE 3.87Å; A181-M240 HydrophobicContact CB-SD 4.17Å
182	V	98.8	Very high	96.4	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	112.4	-175.1	-175.8	0	0	0	0	109.8	I156 I158 I180 G184 I200 I203 V211 I212 N214	I156-V182 HydrophobicContact CD1-CG2 4.23Å; I156-V182 HydrophobicContact CG1-CB 4.49Å; I156-V182 HydrophobicContact CG1-CG1 4.43Å; I156-V182 HydrophobicContact CG1-CG2 4.11Å; I158-V182 HydrophobicContact CG2-CG1 3.82Å; I180-V182 HydrophobicContact CG1-CG2 4.33Å; I180-V182 HydrophobicContact CG2-CG2 4.44Å; V182-G184 PolarHBondContact O-N 3.18Å; V182-I200 HydrophobicContact CG1-CG1 4.11Å; V182-I203 HydrophobicContact CG1-CD1 3.74Å; V182-I203 HydrophobicContact CG2-CD1 4.19Å; V182-I203 HydrophobicContact CG2-CG2 4.26Å; V182-V211 HydrophobicContact CG2-CG1 4.03Å; V182-I212 PolarHBondContact N-O 3.05Å; V182-N214 WeakPolarHBondContact O-CB 3.46Å; V182-N214 PolarHBondContact O-N 3.21Å
183	H	98.6	Very high	96.3	Very high	26 Å²	26	53.5 Å²	53.5	12%	0.12	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	111.8	163	-170.5	168.7	0	0	0	108.2	I156 R157 I158 R185 N214	I156-H183 PolarHBondContact O-N 2.74Å; R157-H183 HydrophobicContact CG-CB 4.11Å; I158-H183 PolarHBondContact N-O 2.83Å; H183-R185 PolarHBondContact NE2-NH1 3.47Å; H183-R185 PolarHBondContact O-N 3.46Å; H183-N214 WeakPolarHBondContact CA-O 3.34Å
184	G	98.1	Very high	96.1	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.276	C	S	.	.	S	Bend	trans	-70.3	35.5	-179.2	0	0	0	0	0	115.3	V182 S196 N214	V182-G184 PolarHBondContact O-N 3.18Å; G184-S196 PolarHBondContact O-N 3.26Å; G184-N214 PolarHBondContact N-O 3.17Å
185	R	97.6	Very high	96.1	Very high	1 Å²	1	47.8 Å²	47.8	0%	0.004	25%	0.245	C	C	.	.	S	Bend	trans	-127.7	143.2	172.1	-73.4	-175.9	-179.2	81.8	-9.9	109.8	R157 I158 H183 E189 P191 H193 G215 D219	R157-R185 VanDerWaalsContact CB-O 3.24Å; R157-R185 WeakPolarHBondContact CB-O 3.49Å; R157-R185 WeakPolarHBondContact CD-O 3.46Å; R157-R185 VanDerWaalsContact CG-O 3.29Å; R157-R185 WeakPolarHBondContact CG-O 3.33Å; I158-R185 VanDerWaalsContact CG1-C 3.45Å; I158-R185 PolarHBondContact N-O 3.18Å; H183-R185 PolarHBondContact NE2-NH1 3.47Å; H183-R185 PolarHBondContact O-N 3.46Å; R185-E189 WeakPolarHBondContact CA-OE2 3.4Å; R185-E189 HydrophobicContact CB-CB 4.08Å; R185-E189 HydrophobicContact CG-CB 4.48Å; R185-P191 PolarHBondContact NH2-O 3.2Å; R185-P191 VanDerWaalsContact NH2-O 3.16Å; R185-H193 PolarHBondContact NE-O 3.14Å; R185-H193 PolarHBondContact NH2-O 2.85Å; R185-G215 PolarHBondContact NH1-O 3.46Å; R185-D219 IonicContact CZ-OD2 3.57Å; R185-D219 IonicContact NH2-OD2 2.7Å; R185-D219 PolarHBondContact NH2-OD2 2.59Å
186	K	95.9	Very high	96	Very high	66 Å²	66	48.5 Å²	48.5	29%	0.287	25%	0.251	S	S	.	.			trans	-67.3	164.8	173.2	-60.5	174.1	-173.8	176.7	0	110.7	R157 I158 P160 E188 E189	R157-K186 PolarHBondContact NH1-O 3.13Å; I158-K186 HydrophobicContact CD1-CG 4.19Å; I158-K186 HydrophobicContact CG1-CG 3.96Å; I158-K186 WeakPolarHBondContact O-CA 3.46Å; P160-K186 PolarHBondContact O-NZ 3.44Å; K186-E188 VanDerWaalsContact C-N 3.28Å; K186-E188 PolarHBondContact O-N 3.03Å; K186-E189 HydrophobicContact CB-CB 4.48Å; K186-E189 HydrophobicContact CB-CG 4.03Å; K186-E189 WeakPolarHBondContact CD-OE1 3.36Å; K186-E189 PolarHBondContact N-OE2 3.38Å; K186-E189 PolarHBondContact O-N 2.95Å
187	R	91.5	Very high	96	Very high	122 Å²	122	46.9 Å²	46.9	46%	0.46	23%	0.232	S	C	.	.	S	Bend	trans	-57.9	-40.5	-177.1	-177	-175.4	68.3	173	2.2	112.8	P117 A128	P117-R187 HydrophobicContact CB-CG 3.95Å; A128-R187 HydrophobicContact CB-CG 3.83Å
188	E	91.7	Very high	96	Very high	101 Å²	101	53.5 Å²	53.5	47%	0.472	26%	0.263	S	S	.	.	S	Bend	trans	-77.3	-25.2	-176.5	-61.7	68.2	-146.6	0	0	112.1	K186	K186-E188 VanDerWaalsContact C-N 3.28Å; K186-E188 PolarHBondContact O-N 3.03Å
189	E	93.1	Very high	96	Very high	35 Å²	35	53 Å²	53	16%	0.164	26%	0.256	C	S	.	.			trans	-70.7	133	-176.4	-72.7	169.8	178.8	0	0	111.9	R157 R185 K186 H193	R157-E189 PolarHBondContact NH1-O 3.17Å; R185-E189 WeakPolarHBondContact CA-OE2 3.4Å; R185-E189 HydrophobicContact CB-CB 4.08Å; R185-E189 HydrophobicContact CG-CB 4.48Å; K186-E189 HydrophobicContact CB-CB 4.48Å; K186-E189 HydrophobicContact CB-CG 4.03Å; K186-E189 WeakPolarHBondContact CD-OE1 3.36Å; K186-E189 PolarHBondContact N-OE2 3.38Å; K186-E189 PolarHBondContact O-N 2.95Å; E189-H193 HydrophobicContact CB-CB 4.05Å; E189-H193 HydrophobicContact CG-CB 4.22Å
190	R	90.3	Very high	96	Very high	136 Å²	136	53 Å²	53	51%	0.513	26%	0.256	S	S	.	.			trans	-96.2	167.8	-179.5	-60.3	-55.3	-169.9	-152.1	2.7	111.2	Q192 H193	R190-Q192 PolarHBondContact O-N 2.79Å; R190-H193 PolarHBondContact N-ND1 3.14Å; R190-H193 WeakPolarHBondContact O-CB 3.31Å; R190-H193 PolarHBondContact O-N 2.8Å; R190-H193 PolarHBondContact O-ND1 2.71Å
191	P	89.4	Confident	96	Very high	62 Å²	62	56.9 Å²	56.9	40%	0.403	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-19.3	-177.1	-23.1	33.7	0	0	0	115.2	R185 H193 R243	R185-P191 PolarHBondContact NH2-O 3.2Å; R185-P191 VanDerWaalsContact NH2-O 3.16Å; P191-H193 VanDerWaalsContact C-N 3.33Å; P191-R243 VanDerWaalsContact CB-NH1 3.3Å
192	Q	91.6	Very high	96	Very high	158 Å²	158	58 Å²	58	74%	0.738	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-20.7	173.4	-53.5	87.9	-5.8	0	0	113.5	R190	R190-Q192 PolarHBondContact O-N 2.79Å
193	H	95.8	Very high	96	Very high	89 Å²	89	58 Å²	58	41%	0.412	28%	0.282	S	S	.	.	S	Bend	trans	-73.5	142.7	174	-63.9	66.3	0	0	0	108.3	R185 E189 R190 P191	R185-H193 PolarHBondContact NE-O 3.14Å; R185-H193 PolarHBondContact NH2-O 2.85Å; E189-H193 HydrophobicContact CB-CB 4.05Å; E189-H193 HydrophobicContact CG-CB 4.22Å; R190-H193 PolarHBondContact N-ND1 3.14Å; R190-H193 WeakPolarHBondContact O-CB 3.31Å; R190-H193 PolarHBondContact O-N 2.8Å; R190-H193 PolarHBondContact O-ND1 2.71Å; P191-H193 VanDerWaalsContact C-N 3.33Å
194	P	95.6	Very high	96	Very high	98 Å²	98	57.7 Å²	57.7	64%	0.636	28%	0.284	S	S	*	.	P	Polyproline II helix	trans	-62.9	155.4	177.6	26.9	-34.3	0	0	0	111.3
195	V	97.8	Very high	96.1	Very high	9 Å²	9	62.7 Å²	62.7	6%	0.055	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-85.8	133.9	171.1	62.5	0	0	0	0	109.7	C197 I200 H220 F230	V195-C197 PolarHBondContact O-N 2.75Å; V195-I200 HydrophobicContact CG2-CD1 4.2Å; V195-H220 VanDerWaalsContact CG1-CD2 3.42Å; V195-H220 WeakPolarHBondContact CG1-CD2 2.89Å; V195-H220 WeakPolarHBondContact CG1-NE2 3.46Å; V195-F230 HydrophobicContact CG1-CE2 3.94Å; V195-F230 HydrophobicContact CG1-CZ 4.4Å; V195-F230 HydrophobicContact CG2-CZ 4.46Å
196	S	98.1	Very high	96.1	Very high	31 Å²	31	64.8 Å²	64.8	22%	0.217	32%	0.324	C	S	.	.			trans	-82.1	94.4	179.1	-52.9	0	0	0	0	111	G184 E198 I200	G184-S196 PolarHBondContact O-N 3.26Å; S196-E198 VanDerWaalsContact C-N 3.29Å; S196-E198 PolarHBondContact O-N 3.05Å; S196-I200 PolarHBondContact O-N 3.12Å
197	C	98.5	Very high	96.2	Very high	11 Å²	11	62.4 Å²	62.4	7%	0.074	31%	0.314	C	S	.	.	H	α-helix	trans	-66.4	-34.4	177.7	-67	0	0	0	0	111.8	V195 V199 I200 K201 T234	V195-C197 PolarHBondContact O-N 2.75Å; C197-V199 VanDerWaalsContact C-N 3.33Å; C197-V199 PolarHBondContact O-N 2.95Å; C197-I200 PolarHBondContact O-N 3.5Å; C197-K201 WeakPolarHBondContact O-CB 3.29Å; C197-K201 PolarHBondContact O-N 3.23Å; C197-T234 HydrophobicContact CB-CG2 3.95Å
198	E	98.5	Very high	96.6	Very high	143 Å²	143	62.1 Å²	62.1	67%	0.668	33%	0.331	S	S	*	.	H	α-helix	trans	-63.6	-38.8	-178.8	-57.2	71.9	-157.2	0	0	111.3	S196 K201 A202	S196-E198 VanDerWaalsContact C-N 3.29Å; S196-E198 PolarHBondContact O-N 3.05Å; E198-K201 PolarHBondContact O-N 3.28Å; E198-A202 WeakPolarHBondContact O-CB 3.18Å; E198-A202 PolarHBondContact O-N 2.68Å
199	V	98.8	Very high	96.9	Very high	26 Å²	26	58.9 Å²	58.9	16%	0.158	32%	0.316	C	S	.	.	H	α-helix	trans	-71.4	-41.2	177.7	-178.7	0	0	0	0	110.6	I158 L162 T165 C197 K201 A202 I203	I158-V199 HydrophobicContact CB-CG1 4.07Å; I158-V199 HydrophobicContact CD1-CB 4.3Å; I158-V199 HydrophobicContact CD1-CG1 4.18Å; I158-V199 HydrophobicContact CD1-CG2 4.27Å; I158-V199 HydrophobicContact CG2-CB 4.41Å; I158-V199 HydrophobicContact CG2-CG1 3.57Å; L162-V199 HydrophobicContact CD1-CG1 4.02Å; L162-V199 HydrophobicContact CD1-CG2 4.45Å; T165-V199 HydrophobicContact CG2-CG1 4.28Å; C197-V199 VanDerWaalsContact C-N 3.33Å; C197-V199 PolarHBondContact O-N 2.95Å; V199-K201 VanDerWaalsContact C-N 3.3Å; V199-K201 PolarHBondContact O-N 3.01Å; V199-A202 PolarHBondContact O-N 3.39Å; V199-I203 HydrophobicContact CG1-CD1 4.13Å; V199-I203 WeakPolarHBondContact O-CD1 3.27Å; V199-I203 VanDerWaalsContact O-CG1 3.28Å; V199-I203 WeakPolarHBondContact O-CG1 3.46Å; V199-I203 PolarHBondContact O-N 2.61Å
200	I	98.8	Very high	97.2	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-61.9	-43.1	174.8	-59.1	170.3	0	0	0	109.8	V182 V195 S196 C197 I203 A204 V211 A213 F230 T234	V182-I200 HydrophobicContact CG1-CG1 4.11Å; V195-I200 HydrophobicContact CG2-CD1 4.2Å; S196-I200 PolarHBondContact O-N 3.12Å; C197-I200 PolarHBondContact O-N 3.5Å; I200-I203 PolarHBondContact O-N 2.89Å; I200-A204 PolarHBondContact O-N 3.01Å; I200-V211 HydrophobicContact CG2-CG1 4.18Å; I200-A213 HydrophobicContact CD1-CB 4.42Å; I200-A213 HydrophobicContact CG2-CB 4Å; I200-F230 HydrophobicContact CD1-CZ 4.32Å; I200-T234 HydrophobicContact CB-CG2 4.02Å; I200-T234 HydrophobicContact CD1-CG2 3.94Å; I200-T234 HydrophobicContact CG2-CG2 4.06Å
201	K	98.9	Very high	97.6	Very high	80 Å²	80	51.6 Å²	51.6	35%	0.348	29%	0.29	S	S	.	.	H	α-helix	trans	-60.4	-47.3	175.6	176	161.5	176.2	44	0	112.5	C197 E198 V199 I203 A204 D205 T234 A235	C197-K201 WeakPolarHBondContact O-CB 3.29Å; C197-K201 PolarHBondContact O-N 3.23Å; E198-K201 PolarHBondContact O-N 3.28Å; V199-K201 VanDerWaalsContact C-N 3.3Å; V199-K201 PolarHBondContact O-N 3.01Å; K201-I203 PolarHBondContact O-N 3.22Å; K201-A204 PolarHBondContact O-N 3.25Å; K201-A204 VanDerWaalsContact O-N 3.13Å; K201-D205 WeakPolarHBondContact CG-OD2 3.37Å; K201-D205 IonicContact NZ-OD1 3.58Å; K201-D205 PolarHBondContact NZ-OD1 2.77Å; K201-D205 VanDerWaalsContact NZ-OD1 3.17Å; K201-D205 IonicContact NZ-OD2 3.65Å; K201-D205 PolarHBondContact NZ-OD2 2.79Å; K201-D205 WeakPolarHBondContact O-CB 3.08Å; K201-D205 VanDerWaalsContact O-CG 3.3Å; K201-D205 PolarHBondContact O-N 2.78Å; K201-T234 WeakPolarHBondContact CA-O 3.49Å; K201-T234 PolarHBondContact N-O 2.93Å; K201-A235 HydrophobicContact CD-CB 4.12Å; K201-A235 HydrophobicContact CG-CB 3.97Å
202	A	98.9	Very high	98.1	Very high	24 Å²	24	48.7 Å²	48.7	20%	0.198	27%	0.271	C	S	.	.	H	α-helix	trans	-59.1	-36.9	176.6	0	0	0	0	0	112.4	L162 L166 E198 V199 T206	L162-A202 HydrophobicContact CD1-CB 3.93Å; L166-A202 HydrophobicContact CD2-CB 4.33Å; E198-A202 WeakPolarHBondContact O-CB 3.18Å; E198-A202 PolarHBondContact O-N 2.68Å; V199-A202 PolarHBondContact O-N 3.39Å; A202-T206 VanDerWaalsContact O-CB 3.27Å; A202-T206 WeakPolarHBondContact O-CB 3.42Å; A202-T206 PolarHBondContact O-N 3.32Å; A202-T206 PolarHBondContact O-OG1 2.9Å
203	I	98.9	Very high	98.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-68.1	-46.2	174.1	-64.8	160.4	0	0	0	110.8	I158 T165 L166 V169 V182 V199 I200 K201 D205 T206 L207 V211	I158-I203 HydrophobicContact CG2-CD1 4.33Å; T165-I203 HydrophobicContact CG2-CD1 3.66Å; T165-I203 HydrophobicContact CG2-CG1 4.15Å; L166-I203 HydrophobicContact CD2-CG1 3.95Å; V169-I203 HydrophobicContact CB-CG2 4.32Å; V169-I203 HydrophobicContact CG1-CD1 4.5Å; V169-I203 HydrophobicContact CG1-CG1 4.48Å; V169-I203 HydrophobicContact CG1-CG2 4.14Å; V169-I203 HydrophobicContact CG2-CG1 4.41Å; V169-I203 HydrophobicContact CG2-CG2 4.08Å; V182-I203 HydrophobicContact CG1-CD1 3.74Å; V182-I203 HydrophobicContact CG2-CD1 4.19Å; V182-I203 HydrophobicContact CG2-CG2 4.26Å; V199-I203 HydrophobicContact CG1-CD1 4.13Å; V199-I203 WeakPolarHBondContact O-CD1 3.27Å; V199-I203 VanDerWaalsContact O-CG1 3.28Å; V199-I203 WeakPolarHBondContact O-CG1 3.46Å; V199-I203 PolarHBondContact O-N 2.61Å; I200-I203 PolarHBondContact O-N 2.89Å; K201-I203 PolarHBondContact O-N 3.22Å; I203-D205 VanDerWaalsContact C-N 3.35Å; I203-D205 PolarHBondContact O-N 2.82Å; I203-T206 WeakPolarHBondContact O-CB 3.43Å; I203-T206 PolarHBondContact O-N 3.07Å; I203-T206 VanDerWaalsContact O-N 3.09Å; I203-L207 HydrophobicContact CG2-CD1 3.71Å; I203-L207 HydrophobicContact CG2-CG 4.16Å; I203-L207 WeakPolarHBondContact O-CG 3.27Å; I203-L207 PolarHBondContact O-N 3.12Å; I203-V211 HydrophobicContact CG2-CG1 4.49Å; I203-V211 HydrophobicContact CG2-CG2 4.02Å
204	A	98.8	Very high	98.5	Very high	19 Å²	19	37.2 Å²	37.2	16%	0.157	22%	0.217	C	C	.	.	H	α-helix	trans	-60.9	-40.8	178.4	0	0	0	0	0	112.8	I200 K201 T206 V211	I200-A204 PolarHBondContact O-N 3.01Å; K201-A204 PolarHBondContact O-N 3.25Å; K201-A204 VanDerWaalsContact O-N 3.13Å; A204-T206 PolarHBondContact O-N 3.26Å; A204-V211 HydrophobicContact CB-CB 4.1Å; A204-V211 HydrophobicContact CB-CG1 4.39Å; A204-V211 HydrophobicContact CB-CG2 4.21Å
205	D	98.7	Very high	98.6	Very high	105 Å²	105	32.9 Å²	32.9	56%	0.561	19%	0.191	S	C	*	.	H	α-helix	trans	-70.8	-21	176.7	-65.1	-24.8	0	0	0	112.1	K201 I203	K201-D205 WeakPolarHBondContact CG-OD2 3.37Å; K201-D205 IonicContact NZ-OD1 3.58Å; K201-D205 PolarHBondContact NZ-OD1 2.77Å; K201-D205 VanDerWaalsContact NZ-OD1 3.17Å; K201-D205 IonicContact NZ-OD2 3.65Å; K201-D205 PolarHBondContact NZ-OD2 2.79Å; K201-D205 WeakPolarHBondContact O-CB 3.08Å; K201-D205 VanDerWaalsContact O-CG 3.3Å; K201-D205 PolarHBondContact O-N 2.78Å; I203-D205 VanDerWaalsContact C-N 3.35Å; I203-D205 PolarHBondContact O-N 2.82Å
206	T	98.8	Very high	98.6	Very high	46 Å²	46	32.5 Å²	32.5	28%	0.282	19%	0.188	S	C	.	.	H	α-helix	trans	-89.1	-35.2	-177.4	-67.3	0	0	0	0	113.6	L166 K170 A202 I203 A204	L166-T206 HydrophobicContact CD2-CG2 4.41Å; K170-T206 HydrophobicContact CD-CG2 4.18Å; K170-T206 HydrophobicContact CG-CG2 3.96Å; A202-T206 VanDerWaalsContact O-CB 3.27Å; A202-T206 WeakPolarHBondContact O-CB 3.42Å; A202-T206 PolarHBondContact O-N 3.32Å; A202-T206 PolarHBondContact O-OG1 2.9Å; I203-T206 WeakPolarHBondContact O-CB 3.43Å; I203-T206 PolarHBondContact O-N 3.07Å; I203-T206 VanDerWaalsContact O-N 3.09Å; A204-T206 PolarHBondContact O-N 3.26Å
207	L	98.7	Very high	98.6	Very high	16 Å²	16	31.1 Å²	31.1	8%	0.084	18%	0.179	C	C	.	.			trans	-93.5	150.1	-173.5	-61.6	-176.7	0	0	0	111.8	V169 E173 I180 I203 I209 V211	V169-L207 HydrophobicContact CB-CD1 4.12Å; V169-L207 HydrophobicContact CB-CD2 4.21Å; V169-L207 HydrophobicContact CG2-CD1 4.36Å; V169-L207 HydrophobicContact CG2-CD2 3.98Å; V169-L207 HydrophobicContact CG2-CG 4.32Å; E173-L207 HydrophobicContact CB-CD2 3.97Å; E173-L207 HydrophobicContact CG-CD2 4.47Å; I180-L207 HydrophobicContact CG2-CD1 3.63Å; I203-L207 HydrophobicContact CG2-CD1 3.71Å; I203-L207 HydrophobicContact CG2-CG 4.16Å; I203-L207 WeakPolarHBondContact O-CG 3.27Å; I203-L207 PolarHBondContact O-N 3.12Å; L207-I209 HydrophobicContact CB-CG1 4.16Å; L207-I209 HydrophobicContact CD1-CD1 4.44Å; L207-I209 HydrophobicContact CD1-CG1 4.12Å; L207-V211 HydrophobicContact CB-CG2 4.4Å; L207-V211 HydrophobicContact CD1-CG2 3.92Å
208	S	98.6	Very high	98.4	Very high	115 Å²	115	35.4 Å²	35.4	80%	0.804	20%	0.198	S	C	*	.	S	Bend	trans	-90.2	-20	170.1	-56.8	0	0	0	0	112.5	E173	E173-S208 WeakPolarHBondContact OE1-CA 3.41Å; E173-S208 WeakPolarHBondContact OE1-CB 3.42Å; E173-S208 PolarHBondContact OE1-N 3.12Å
209	I	98.7	Very high	98.1	Very high	33 Å²	33	31.7 Å²	31.7	17%	0.169	18%	0.182	C	C	.	.	S	Bend	trans	-82.5	154.3	174.1	61.8	169.9	0	0	0	112.3	E173 I177 I180 L207 V211	E173-I209 HydrophobicContact CB-CD1 4.2Å; E173-I209 HydrophobicContact CG-CD1 4.26Å; E173-I209 HydrophobicContact CG-CG1 4.19Å; E173-I209 HydrophobicContact CG-CG2 4.14Å; E173-I209 PolarHBondContact OE1-N 3.27Å; I177-I209 HydrophobicContact CD1-CD1 3.85Å; I177-I209 HydrophobicContact CG1-CD1 3.78Å; I180-I209 HydrophobicContact CB-CD1 4.41Å; I180-I209 HydrophobicContact CG2-CD1 4.25Å; L207-I209 HydrophobicContact CB-CG1 4.16Å; L207-I209 HydrophobicContact CD1-CD1 4.44Å; L207-I209 HydrophobicContact CD1-CG1 4.12Å; I209-V211 PolarHBondContact O-N 3.44Å
210	P	98.8	Very high	98	Very high	15 Å²	15	34.1 Å²	34.1	10%	0.097	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-55.6	126.1	174.6	-19.5	26.1	0	0	0	113.1	A178 A179 I180	A178-P210 VanDerWaalsContact O-CD 3.28Å; A178-P210 WeakPolarHBondContact O-CD 3.35Å; A179-P210 WeakPolarHBondContact CA-O 3.45Å; A179-P210 HydrophobicContact CB-CB 3.98Å; A179-P210 HydrophobicContact CB-CG 4.32Å; A179-P210 WeakPolarHBondContact CB-O 3.36Å; I180-P210 PolarHBondContact N-O 2.85Å
211	V	98.9	Very high	98	Very high	4 Å²	4	34.2 Å²	34.2	2%	0.024	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	132.2	167.5	178	0	0	0	0	109.9	I180 V182 I200 I203 A204 L207 I209 S237 S238	I180-V211 HydrophobicContact CG2-CG2 3.96Å; I180-V211 WeakPolarHBondContact O-CA 3.47Å; V182-V211 HydrophobicContact CG2-CG1 4.03Å; I200-V211 HydrophobicContact CG2-CG1 4.18Å; I203-V211 HydrophobicContact CG2-CG1 4.49Å; I203-V211 HydrophobicContact CG2-CG2 4.02Å; A204-V211 HydrophobicContact CB-CB 4.1Å; A204-V211 HydrophobicContact CB-CG1 4.39Å; A204-V211 HydrophobicContact CB-CG2 4.21Å; L207-V211 HydrophobicContact CB-CG2 4.4Å; L207-V211 HydrophobicContact CD1-CG2 3.92Å; I209-V211 PolarHBondContact O-N 3.44Å; V211-S237 WeakPolarHBondContact O-CB 3.34Å; V211-S237 PolarHBondContact O-N 3.04Å; V211-S238 PolarHBondContact O-N 3.1Å
212	I	98.9	Very high	98	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	110.9	178	-51.4	161.5	0	0	0	108.3	Y10 I15 A179 I180 A181 V182 S238 M240	Y10-I212 HydrophobicContact CD1-CD1 3.85Å; I15-I212 HydrophobicContact CD1-CD1 3.86Å; I15-I212 HydrophobicContact CD1-CG1 4.16Å; I15-I212 HydrophobicContact CD1-CG2 3.8Å; A179-I212 HydrophobicContact CB-CD1 4.07Å; I180-I212 PolarHBondContact O-N 3.34Å; A181-I212 WeakPolarHBondContact CA-O 3.47Å; A181-I212 HydrophobicContact CB-CB 4.08Å; A181-I212 HydrophobicContact CB-CD1 4.33Å; V182-I212 PolarHBondContact N-O 3.05Å; I212-S238 CarbonylContact C-O 3.57Å; I212-S238 WeakPolarHBondContact CA-O 3.36Å; I212-M240 HydrophobicContact CG2-CB 3.55Å
213	A	98.9	Very high	98	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	136	-179.3	0	0	0	0	0	111.6	I200 F230 T234 A236 S238 M240	I200-A213 HydrophobicContact CD1-CB 4.42Å; I200-A213 HydrophobicContact CG2-CB 4Å; A213-F230 HydrophobicContact CB-CD1 4.2Å; A213-F230 HydrophobicContact CB-CE1 3.65Å; A213-F230 HydrophobicContact CB-CZ 4.31Å; A213-T234 HydrophobicContact CB-CG2 4.1Å; A213-T234 WeakPolarHBondContact CB-OG1 3.25Å; A213-A236 HydrophobicContact CB-CB 3.62Å; A213-S238 PolarHBondContact N-O 2.91Å; A213-M240 PolarHBondContact O-N 2.98Å
214	N	98.8	Very high	98	Very high	6 Å²	6	46.4 Å²	46.4	3%	0.032	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	150.1	178.3	-179.7	-119.1	0	0	0	111.9	K155 V182 H183 G184 M240	K155-N214 WeakPolarHBondContact CE-OD1 3.49Å; K155-N214 PolarHBondContact NZ-OD1 3.3Å; V182-N214 WeakPolarHBondContact O-CB 3.46Å; V182-N214 PolarHBondContact O-N 3.21Å; H183-N214 WeakPolarHBondContact CA-O 3.34Å; G184-N214 PolarHBondContact N-O 3.17Å; N214-M240 HydrophobicContact CB-CB 4.29Å; N214-M240 PolarHBondContact ND2-O 2.69Å
215	G	97.8	Very high	98	Very high	7 Å²	7	48.2 Å²	48.2	7%	0.072	25%	0.249	C	C	.	.			trans	113.8	-3.7	176.2	0	0	0	0	0	115.1	R185 S217	R185-G215 PolarHBondContact NH1-O 3.46Å; G215-S217 PolarHBondContact O-N 2.79Å
216	G	97.5	Very high	98	Very high	1 Å²	1	44 Å²	44	1%	0.01	23%	0.226	C	C	.	.			trans	-77.4	-10.6	-175.3	0	0	0	0	0	116.6	H218 H220 I221	G216-H218 PolarHBondContact O-N 2.86Å; G216-H220 CarbonylContact O-C 3.55Å; G216-H220 WeakPolarHBondContact O-CA 3.36Å; G216-H220 WeakPolarHBondContact O-CB 3.44Å; G216-H220 PolarHBondContact O-N 3.41Å; G216-I221 PolarHBondContact O-N 3.03Å
217	S	97.8	Very high	98	Very high	3 Å²	3	42 Å²	42	2%	0.021	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-56.2	139.1	-179.3	-58.9	0	0	0	0	112.4	G215 D219 R243 A244	G215-S217 PolarHBondContact O-N 2.79Å; S217-D219 VanDerWaalsContact C-N 3.27Å; S217-D219 PolarHBondContact O-N 3.02Å; S217-R243 PolarHBondContact O-NH2 3.37Å; S217-R243 PolarHBondContact OG-N 2.71Å; S217-A244 PolarHBondContact OG-N 2.81Å
218	H	94.5	Very high	98	Very high	101 Å²	101	44.9 Å²	44.9	47%	0.468	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.9	-60.8	-173.2	-167	60.2	0	0	0	114.1	G216 I221 Q222 W247	G216-H218 PolarHBondContact O-N 2.86Å; H218-I221 PolarHBondContact N-O 3.08Å; H218-I221 VanDerWaalsContact N-O 3.07Å; H218-Q222 WeakPolarHBondContact O-CG 3.4Å; H218-Q222 PolarHBondContact O-NE2 3.25Å; H218-W247 HydrophobicContact CB-CH2 3.83Å; H218-W247 HydrophobicContact CB-CZ3 3.97Å
219	D	91.8	Very high	98	Very high	64 Å²	64	43.8 Å²	43.8	34%	0.342	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-37.3	-171.9	-42.1	-33.6	0	0	0	111.4	R185 S217 R243	R185-D219 IonicContact CZ-OD2 3.57Å; R185-D219 IonicContact NH2-OD2 2.7Å; R185-D219 PolarHBondContact NH2-OD2 2.59Å; S217-D219 VanDerWaalsContact C-N 3.27Å; S217-D219 PolarHBondContact O-N 3.02Å; D219-R243 IonicContact OD2-NH2 3.53Å
220	H	97.4	Very high	98	Very high	78 Å²	78	42.3 Å²	42.3	36%	0.361	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119	-38.5	179.7	-62	-88.1	0	0	0	112.5	V195 G216 D226 F230	V195-H220 VanDerWaalsContact CG1-CD2 3.42Å; V195-H220 WeakPolarHBondContact CG1-CD2 2.89Å; V195-H220 WeakPolarHBondContact CG1-NE2 3.46Å; G216-H220 CarbonylContact O-C 3.55Å; G216-H220 WeakPolarHBondContact O-CA 3.36Å; G216-H220 WeakPolarHBondContact O-CB 3.44Å; G216-H220 PolarHBondContact O-N 3.41Å; H220-D226 WeakPolarHBondContact O-CB 3.18Å; H220-F230 HydrophobicContact CB-CD2 3.85Å; H220-F230 HydrophobicContact CB-CG 4.45Å; H220-F230 AromaticContact CG-CD2 3.89Å
221	I	98.6	Very high	98	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.01	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-109.6	109	-171.1	-54.6	169.2	0	0	0	110.3	G216 H218 D226 I227 F230 V239 V241 A244 I251	G216-I221 PolarHBondContact O-N 3.03Å; H218-I221 PolarHBondContact N-O 3.08Å; H218-I221 VanDerWaalsContact N-O 3.07Å; I221-D226 HydrophobicContact CB-CB 4.47Å; I221-I227 HydrophobicContact CG2-CG1 3.82Å; I221-F230 HydrophobicContact CD1-CB 4.2Å; I221-F230 HydrophobicContact CD1-CD1 3.92Å; I221-F230 HydrophobicContact CD1-CG 4.18Å; I221-F230 HydrophobicContact CG1-CB 4.11Å; I221-F230 HydrophobicContact CG1-CG 4.39Å; I221-V239 HydrophobicContact CD1-CG1 4.01Å; I221-V241 HydrophobicContact CD1-CG2 4.19Å; I221-A244 HydrophobicContact CG2-CB 4.47Å; I221-I251 HydrophobicContact CG2-CD1 4.27Å; I221-I251 HydrophobicContact CG2-CG1 4.24Å
222	Q	98.1	Very high	98	Very high	130 Å²	130	49.7 Å²	49.7	61%	0.607	24%	0.235	S	C	*	.	S	Bend	trans	-124.1	-23.5	174.4	-59.7	-176.9	31.5	0	0	112.6	H218 D226	H218-Q222 WeakPolarHBondContact O-CG 3.4Å; H218-Q222 PolarHBondContact O-NE2 3.25Å; Q222-D226 WeakPolarHBondContact CA-OD2 3.18Å; Q222-D226 PolarHBondContact N-OD2 3.09Å
223	R	98.4	Very high	97.9	Very high	161 Å²	161	52.3 Å²	52.3	61%	0.608	26%	0.257	S	S	*	.	S	Bend	trans	-138.1	171.8	175.2	53.5	177.8	159.6	-160.6	-11.3	110.9	S225 D226	R223-S225 WeakPolarHBondContact CD-OG 3.5Å; R223-S225 PolarHBondContact O-N 3.09Å; R223-D226 VanDerWaalsContact CG-CG 3.4Å; R223-D226 WeakPolarHBondContact CG-OD1 3.34Å; R223-D226 WeakPolarHBondContact CG-OD2 3.34Å; R223-D226 PolarHBondContact N-OD2 2.95Å; R223-D226 IonicContact NE-OD1 3.29Å; R223-D226 PolarHBondContact NE-OD1 3.38Å; R223-D226 WeakPolarHBondContact O-CB 3.43Å; R223-D226 PolarHBondContact O-N 2.94Å
224	Y	98.8	Very high	97.9	Very high	68 Å²	68	52.3 Å²	52.3	27%	0.267	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-46.5	-176.2	177.9	-91.6	0	0	0	113.8	L14 D226 I227 F252 K254	L14-Y224 HydrophobicContact CD1-CE2 3.71Å; Y224-D226 PolarHBondContact O-N 3.42Å; Y224-I227 HydrophobicContact CD2-CD1 4.36Å; Y224-I227 VanDerWaalsContact O-CB 3.32Å; Y224-I227 WeakPolarHBondContact O-CB 3.41Å; Y224-I227 WeakPolarHBondContact O-CG1 3.44Å; Y224-I227 PolarHBondContact O-N 2.69Å; Y224-I227 VanDerWaalsContact O-N 3.09Å; Y224-F252 WeakPolarHBondContact CD2-O 3.33Å; Y224-F252 WeakPolarHBondContact CE2-O 3.4Å; Y224-K254 HydrophobicContact CD1-CB 4.35Å; Y224-K254 HydrophobicContact CD1-CG 4.19Å; Y224-K254 HydrophobicContact CE1-CB 3.91Å; Y224-K254 HydrophobicContact CE1-CD 4.34Å; Y224-K254 HydrophobicContact CE1-CG 3.63Å; Y224-K254 HydrophobicContact CE2-CB 4.05Å
225	S	98.6	Very high	97.9	Very high	57 Å²	57	54 Å²	54	40%	0.399	27%	0.271	S	S	.	.	H	α-helix	trans	-58.2	-35.1	-177.9	53.3	0	0	0	0	112.9	R223 I227 E228 D229	R223-S225 WeakPolarHBondContact CD-OG 3.5Å; R223-S225 PolarHBondContact O-N 3.09Å; S225-I227 PolarHBondContact O-N 3.33Å; S225-I227 VanDerWaalsContact O-N 3.13Å; S225-E228 PolarHBondContact O-N 2.83Å; S225-E228 VanDerWaalsContact O-N 3.08Å; S225-D229 PolarHBondContact O-N 3.3Å
226	D	98.8	Very high	98	Very high	16 Å²	16	53.7 Å²	53.7	9%	0.086	27%	0.268	C	S	.	.	H	α-helix	trans	-66.1	-19.2	-177.2	-50.7	-18	0	0	0	112.5	H220 I221 Q222 R223 Y224 E228 D229 F230	H220-D226 WeakPolarHBondContact O-CB 3.18Å; I221-D226 HydrophobicContact CB-CB 4.47Å; Q222-D226 WeakPolarHBondContact CA-OD2 3.18Å; Q222-D226 PolarHBondContact N-OD2 3.09Å; R223-D226 VanDerWaalsContact CG-CG 3.4Å; R223-D226 WeakPolarHBondContact CG-OD1 3.34Å; R223-D226 WeakPolarHBondContact CG-OD2 3.34Å; R223-D226 PolarHBondContact N-OD2 2.95Å; R223-D226 IonicContact NE-OD1 3.29Å; R223-D226 PolarHBondContact NE-OD1 3.38Å; R223-D226 WeakPolarHBondContact O-CB 3.43Å; R223-D226 PolarHBondContact O-N 2.94Å; Y224-D226 PolarHBondContact O-N 3.42Å; D226-E228 VanDerWaalsContact C-N 3.33Å; D226-D229 PolarHBondContact O-N 3.47Å; D226-F230 VanDerWaalsContact O-CB 3.32Å; D226-F230 WeakPolarHBondContact O-CB 3.33Å; D226-F230 PolarHBondContact O-N 3.11Å
227	I	98.8	Very high	98	Very high	6 Å²	6	54.5 Å²	54.5	3%	0.031	27%	0.274	C	S	.	.	H	α-helix	trans	-64.3	-43.2	175.1	-56.7	173	0	0	0	109.6	L14 I221 Y224 S225 R231 V239 V241 I251 F252	L14-I227 HydrophobicContact CD2-CB 4.48Å; L14-I227 HydrophobicContact CD2-CD1 4.26Å; L14-I227 HydrophobicContact CD2-CG2 3.68Å; I221-I227 HydrophobicContact CG2-CG1 3.82Å; Y224-I227 HydrophobicContact CD2-CD1 4.36Å; Y224-I227 VanDerWaalsContact O-CB 3.32Å; Y224-I227 WeakPolarHBondContact O-CB 3.41Å; Y224-I227 WeakPolarHBondContact O-CG1 3.44Å; Y224-I227 PolarHBondContact O-N 2.69Å; Y224-I227 VanDerWaalsContact O-N 3.09Å; S225-I227 PolarHBondContact O-N 3.33Å; S225-I227 VanDerWaalsContact O-N 3.13Å; I227-R231 WeakPolarHBondContact O-CB 3.44Å; I227-R231 PolarHBondContact O-N 2.93Å; I227-V239 HydrophobicContact CG2-CB 3.68Å; I227-V239 HydrophobicContact CG2-CG1 3.83Å; I227-V239 HydrophobicContact CG2-CG2 4.11Å; I227-V241 HydrophobicContact CD1-CG2 4.46Å; I227-V241 HydrophobicContact CG1-CG2 4.48Å; I227-I251 HydrophobicContact CD1-CG1 4.48Å; I227-F252 HydrophobicContact CD1-CD1 4.44Å
228	E	98.7	Very high	98.1	Very high	76 Å²	76	54.4 Å²	54.4	36%	0.355	27%	0.273	S	S	.	.	H	α-helix	trans	-70.3	-40.3	177	177.8	56.1	-158.7	0	0	111.2	S225 D226 F230 R231 Q232	S225-E228 PolarHBondContact O-N 2.83Å; S225-E228 VanDerWaalsContact O-N 3.08Å; D226-E228 VanDerWaalsContact C-N 3.33Å; E228-F230 VanDerWaalsContact C-N 3.33Å; E228-F230 PolarHBondContact O-N 3.23Å; E228-R231 WeakPolarHBondContact O-CB 3.02Å; E228-R231 PolarHBondContact O-N 3.03Å; E228-R231 VanDerWaalsContact O-N 3.14Å; E228-R231 IonicContact OE1-CZ 3.12Å; E228-R231 IonicContact OE1-NE 3.81Å; E228-R231 PolarHBondContact OE1-NE 3.35Å; E228-R231 IonicContact OE1-NH2 2.77Å; E228-R231 PolarHBondContact OE1-NH2 3.04Å; E228-R231 IonicContact OE2-CZ 2.6Å; E228-R231 IonicContact OE2-NE 2.65Å; E228-R231 PolarHBondContact OE2-NE 3.29Å; E228-R231 IonicContact OE2-NH2 2.94Å; E228-Q232 WeakPolarHBondContact O-CG 3.49Å; E228-Q232 PolarHBondContact O-N 3.05Å; E228-Q232 WeakPolarHBondContact OE1-CG 3.23Å; E228-Q232 PolarHBondContact OE1-NE2 3Å
229	D	98.8	Very high	98.3	Very high	91 Å²	91	49.6 Å²	49.6	49%	0.487	25%	0.251	S	S	.	.	H	α-helix	trans	-59.6	-44	175.3	-63.3	-24.3	0	0	0	111.3	S225 D226 Q232 A233	S225-D229 PolarHBondContact O-N 3.3Å; D226-D229 PolarHBondContact O-N 3.47Å; D229-Q232 PolarHBondContact O-N 3.3Å; D229-A233 WeakPolarHBondContact O-CB 3.32Å; D229-A233 PolarHBondContact O-N 3.43Å
230	F	98.8	Very high	98.6	Very high	3 Å²	3	46.7 Å²	46.7	1%	0.013	24%	0.235	C	C	.	.	H	α-helix	trans	-66	-36.9	175.7	-174.9	-112.7	0	0	0	112.3	V195 I200 A213 H220 I221 D226 E228 T234 V239	V195-F230 HydrophobicContact CG1-CE2 3.94Å; V195-F230 HydrophobicContact CG1-CZ 4.4Å; V195-F230 HydrophobicContact CG2-CZ 4.46Å; I200-F230 HydrophobicContact CD1-CZ 4.32Å; A213-F230 HydrophobicContact CB-CD1 4.2Å; A213-F230 HydrophobicContact CB-CE1 3.65Å; A213-F230 HydrophobicContact CB-CZ 4.31Å; H220-F230 HydrophobicContact CB-CD2 3.85Å; H220-F230 HydrophobicContact CB-CG 4.45Å; H220-F230 AromaticContact CG-CD2 3.89Å; I221-F230 HydrophobicContact CD1-CB 4.2Å; I221-F230 HydrophobicContact CD1-CD1 3.92Å; I221-F230 HydrophobicContact CD1-CG 4.18Å; I221-F230 HydrophobicContact CG1-CB 4.11Å; I221-F230 HydrophobicContact CG1-CG 4.39Å; D226-F230 VanDerWaalsContact O-CB 3.32Å; D226-F230 WeakPolarHBondContact O-CB 3.33Å; D226-F230 PolarHBondContact O-N 3.11Å; E228-F230 VanDerWaalsContact C-N 3.33Å; E228-F230 PolarHBondContact O-N 3.23Å; F230-T234 HydrophobicContact CD2-CG2 4.35Å; F230-T234 HydrophobicContact CE1-CG2 4.47Å; F230-T234 HydrophobicContact CE2-CG2 3.97Å; F230-T234 HydrophobicContact CZ-CG2 4.03Å; F230-T234 WeakPolarHBondContact O-CB 2.86Å; F230-T234 WeakPolarHBondContact O-CG2 3.24Å; F230-T234 PolarHBondContact O-N 3.43Å; F230-T234 PolarHBondContact O-OG1 2.88Å; F230-V239 HydrophobicContact CD1-CG1 3.83Å; F230-V239 HydrophobicContact CD1-CG2 4.21Å; F230-V239 HydrophobicContact CE1-CG1 4.36Å
231	R	98.8	Very high	98.7	Very high	56 Å²	56	43 Å²	43	21%	0.211	22%	0.218	C	C	.	.	H	α-helix	trans	-60.9	-46.2	173.6	-163.7	-169.2	66.5	74.4	1	111.1	I227 E228 T234 A235 A236 V239	I227-R231 WeakPolarHBondContact O-CB 3.44Å; I227-R231 PolarHBondContact O-N 2.93Å; E228-R231 WeakPolarHBondContact O-CB 3.02Å; E228-R231 PolarHBondContact O-N 3.03Å; E228-R231 VanDerWaalsContact O-N 3.14Å; E228-R231 IonicContact OE1-CZ 3.12Å; E228-R231 IonicContact OE1-NE 3.81Å; E228-R231 PolarHBondContact OE1-NE 3.35Å; E228-R231 IonicContact OE1-NH2 2.77Å; E228-R231 PolarHBondContact OE1-NH2 3.04Å; E228-R231 IonicContact OE2-CZ 2.6Å; E228-R231 IonicContact OE2-NE 2.65Å; E228-R231 PolarHBondContact OE2-NE 3.29Å; E228-R231 IonicContact OE2-NH2 2.94Å; R231-T234 PolarHBondContact O-N 3.08Å; R231-T234 PolarHBondContact O-OG1 3.31Å; R231-A235 PolarHBondContact O-N 2.79Å; R231-A236 WeakPolarHBondContact CG-O 3.37Å; R231-A236 PolarHBondContact NH1-O 2.65Å; R231-A236 VanDerWaalsContact NH1-O 3.08Å; R231-A236 PolarHBondContact O-N 3.41Å; R231-A236 VanDerWaalsContact O-N 3.15Å; R231-V239 HydrophobicContact CB-CG2 3.53Å; R231-V239 HydrophobicContact CG-CG2 3.89Å
232	Q	98.8	Very high	98.7	Very high	117 Å²	117	43.9 Å²	43.9	55%	0.547	23%	0.225	S	C	.	.	H	α-helix	trans	-65.9	-46.3	179.4	-70.1	178.6	12.7	0	0	111.8	E228 D229 T234 A235	E228-Q232 WeakPolarHBondContact O-CG 3.49Å; E228-Q232 PolarHBondContact O-N 3.05Å; E228-Q232 WeakPolarHBondContact OE1-CG 3.23Å; E228-Q232 PolarHBondContact OE1-NE2 3Å; D229-Q232 PolarHBondContact O-N 3.3Å; Q232-T234 PolarHBondContact O-N 3.42Å; Q232-A235 PolarHBondContact O-N 2.64Å
233	A	98.6	Very high	98.7	Very high	56 Å²	56	40.3 Å²	40.3	46%	0.463	21%	0.206	S	C	.	.	H	α-helix	trans	-59	-32.1	178.6	0	0	0	0	0	113	D229	D229-A233 WeakPolarHBondContact O-CB 3.32Å; D229-A233 PolarHBondContact O-N 3.43Å
234	T	98.8	Very high	98.7	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-2	179.5	56	0	0	0	0	113.8	C197 I200 K201 A213 F230 R231 Q232 A236	C197-T234 HydrophobicContact CB-CG2 3.95Å; I200-T234 HydrophobicContact CB-CG2 4.02Å; I200-T234 HydrophobicContact CD1-CG2 3.94Å; I200-T234 HydrophobicContact CG2-CG2 4.06Å; K201-T234 WeakPolarHBondContact CA-O 3.49Å; K201-T234 PolarHBondContact N-O 2.93Å; A213-T234 HydrophobicContact CB-CG2 4.1Å; A213-T234 WeakPolarHBondContact CB-OG1 3.25Å; F230-T234 HydrophobicContact CD2-CG2 4.35Å; F230-T234 HydrophobicContact CE1-CG2 4.47Å; F230-T234 HydrophobicContact CE2-CG2 3.97Å; F230-T234 HydrophobicContact CZ-CG2 4.03Å; F230-T234 WeakPolarHBondContact O-CB 2.86Å; F230-T234 WeakPolarHBondContact O-CG2 3.24Å; F230-T234 PolarHBondContact O-N 3.43Å; F230-T234 PolarHBondContact O-OG1 2.88Å; R231-T234 PolarHBondContact O-N 3.08Å; R231-T234 PolarHBondContact O-OG1 3.31Å; Q232-T234 PolarHBondContact O-N 3.42Å; T234-A236 PolarHBondContact O-N 2.82Å; T234-A236 WeakPolarHBondContact OG1-CB 3.3Å
235	A	98.6	Very high	98.7	Very high	40 Å²	40	29.7 Å²	29.7	33%	0.331	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.1	22.5	-170.6	0	0	0	0	0	114.1	K201 R231 Q232	K201-A235 HydrophobicContact CD-CB 4.12Å; K201-A235 HydrophobicContact CG-CB 3.97Å; R231-A235 PolarHBondContact O-N 2.79Å; Q232-A235 PolarHBondContact O-N 2.64Å
236	A	98.8	Very high	98.7	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.008	16%	0.155	C	C	.	.			trans	-78.8	159.3	-173.9	0	0	0	0	0	111.6	A213 R231 T234	A213-A236 HydrophobicContact CB-CB 3.62Å; R231-A236 WeakPolarHBondContact CG-O 3.37Å; R231-A236 PolarHBondContact NH1-O 2.65Å; R231-A236 VanDerWaalsContact NH1-O 3.08Å; R231-A236 PolarHBondContact O-N 3.41Å; R231-A236 VanDerWaalsContact O-N 3.15Å; T234-A236 PolarHBondContact O-N 2.82Å; T234-A236 WeakPolarHBondContact OG1-CB 3.3Å
237	S	98.8	Very high	98.7	Very high	19 Å²	19	30 Å²	30	13%	0.133	16%	0.16	C	C	.	.	S	Bend	trans	-73.8	-36.9	178.3	-175.9	0	0	0	0	112	Y10 H11 N12 V211	Y10-S237 PolarHBondContact O-OG 3.31Å; H11-S237 WeakPolarHBondContact CA-OG 3.48Å; H11-S237 PolarHBondContact ND1-OG 3.3Å; N12-S237 VanDerWaalsContact CA-O 3.31Å; N12-S237 WeakPolarHBondContact CA-O 3.31Å; N12-S237 PolarHBondContact N-O 3.38Å; V211-S237 WeakPolarHBondContact O-CB 3.34Å; V211-S237 PolarHBondContact O-N 3.04Å
238	S	98.9	Very high	98.7	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	168.4	-176.2	-67.8	0	0	0	0	110.9	Y10 N12 K13 V211 I212 A213	Y10-S238 PolarHBondContact O-OG 3.38Å; N12-S238 PolarHBondContact N-OG 2.87Å; K13-S238 PolarHBondContact N-OG 3.04Å; K13-S238 WeakPolarHBondContact O-CB 3.07Å; V211-S238 PolarHBondContact O-N 3.1Å; I212-S238 CarbonylContact C-O 3.57Å; I212-S238 WeakPolarHBondContact CA-O 3.36Å; A213-S238 PolarHBondContact N-O 2.91Å
239	V	98.9	Very high	98.7	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.006	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	133.9	177.5	179.5	0	0	0	0	111	K13 I15 I221 I227 F230 R231 V241	K13-V239 PolarHBondContact O-N 3.39Å; I15-V239 PolarHBondContact N-O 3.27Å; I221-V239 HydrophobicContact CD1-CG1 4.01Å; I227-V239 HydrophobicContact CG2-CB 3.68Å; I227-V239 HydrophobicContact CG2-CG1 3.83Å; I227-V239 HydrophobicContact CG2-CG2 4.11Å; F230-V239 HydrophobicContact CD1-CG1 3.83Å; F230-V239 HydrophobicContact CD1-CG2 4.21Å; F230-V239 HydrophobicContact CE1-CG1 4.36Å; R231-V239 HydrophobicContact CB-CG2 3.53Å; R231-V239 HydrophobicContact CG-CG2 3.89Å; V239-V241 HydrophobicContact CG1-CG2 4Å
240	M	98.9	Very high	98.7	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.01	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	121.1	174.9	175.8	-176.3	-73.5	0	0	110.4	I15 A17 Y40 K155 A181 I212 A213 N214	I15-M240 HydrophobicContact CB-CB 4.17Å; I15-M240 HydrophobicContact CG2-CB 4.43Å; I15-M240 HydrophobicContact CG2-CE 3.87Å; I15-M240 HydrophobicContact CG2-CG 4.31Å; I15-M240 CarbonylContact O-C 3.57Å; I15-M240 VanDerWaalsContact O-CA 3.3Å; I15-M240 WeakPolarHBondContact O-CA 3.42Å; A17-M240 VanDerWaalsContact CA-CG 3.45Å; A17-M240 HydrophobicContact CB-CG 3.42Å; A17-M240 VanDerWaalsContact CB-CG 3.42Å; A17-M240 HydrophobicContact CB-SD 3.85Å; Y40-M240 HydrophobicContact CD1-CE 4.23Å; Y40-M240 HydrophobicContact CD2-CE 3.93Å; Y40-M240 HydrophobicContact CE1-CE 4Å; Y40-M240 HydrophobicContact CE2-CE 3.72Å; Y40-M240 HydrophobicContact CG-CE 4.22Å; K155-M240 HydrophobicContact CD-SD 3.96Å; K155-M240 VanDerWaalsContact CE-SD 3.54Å; A181-M240 HydrophobicContact CB-CE 3.87Å; A181-M240 HydrophobicContact CB-SD 4.17Å; I212-M240 HydrophobicContact CG2-CB 3.55Å; A213-M240 PolarHBondContact O-N 2.98Å; N214-M240 HydrophobicContact CB-CB 4.29Å; N214-M240 PolarHBondContact ND2-O 2.69Å
241	V	98.9	Very high	98.7	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	128.7	-173.6	-174.7	0	0	0	0	110.6	I15 A17 I221 I227 V239 A244 A245 I251 F252	I15-V241 PolarHBondContact O-N 3.12Å; A17-V241 VanDerWaalsContact CB-O 3.31Å; A17-V241 WeakPolarHBondContact CB-O 3.5Å; A17-V241 PolarHBondContact N-O 3.29Å; I221-V241 HydrophobicContact CD1-CG2 4.19Å; I227-V241 HydrophobicContact CD1-CG2 4.46Å; I227-V241 HydrophobicContact CG1-CG2 4.48Å; V239-V241 HydrophobicContact CG1-CG2 4Å; V241-A244 HydrophobicContact CG1-CB 3.77Å; V241-A245 HydrophobicContact CG1-CB 4.21Å; V241-I251 HydrophobicContact CG1-CG2 4.35Å; V241-F252 HydrophobicContact CB-CE1 3.91Å; V241-F252 HydrophobicContact CB-CZ 3.86Å; V241-F252 HydrophobicContact CG2-CE1 3.96Å; V241-F252 HydrophobicContact CG2-CZ 4.43Å
242	A	98.4	Very high	98.7	Very high	21 Å²	21	20.3 Å²	20.3	17%	0.174	12%	0.115	C	C	.	.			trans	-111.7	-84.9	-178.7	0	0	0	0	0	111.5	A17 M19 A244 A245 M246	A17-A242 HydrophobicContact CB-CB 3.54Å; M19-A242 HydrophobicContact CG-CB 4.16Å; M19-A242 VanDerWaalsContact SD-C 3.52Å; M19-A242 HydrophobicContact SD-CB 3.81Å; M19-A242 VanDerWaalsContact SD-O 3.4Å; A242-A244 PolarHBondContact O-N 2.95Å; A242-A245 PolarHBondContact O-N 3.45Å; A242-A245 VanDerWaalsContact O-N 3.09Å; A242-M246 PolarHBondContact O-N 2.98Å
243	R	98.3	Very high	98.7	Very high	55 Å²	55	16.4 Å²	16.4	21%	0.208	10%	0.098	C	C	.	.	H	α-helix	trans	-57.2	-43.6	-172.5	-66.7	178.3	-73	168.8	-4.8	112.9	P191 S217 D219 A245 M246 W247	P191-R243 VanDerWaalsContact CB-NH1 3.3Å; S217-R243 PolarHBondContact O-NH2 3.37Å; S217-R243 PolarHBondContact OG-N 2.71Å; D219-R243 IonicContact OD2-NH2 3.53Å; R243-A245 VanDerWaalsContact C-N 3.3Å; R243-A245 PolarHBondContact O-N 3.22Å; R243-M246 WeakPolarHBondContact O-CB 3.39Å; R243-M246 PolarHBondContact O-N 3.28Å; R243-W247 HydrophobicContact CB-CD2 4.44Å; R243-W247 HydrophobicContact CB-CH2 4.04Å; R243-W247 HydrophobicContact CB-CZ2 3.83Å; R243-W247 HydrophobicContact CB-CZ3 4.4Å; R243-W247 HydrophobicContact CG-CZ2 4.44Å; R243-W247 PolarHBondContact O-N 3.43Å
244	A	98.5	Very high	98.7	Very high	7 Å²	7	20.9 Å²	20.9	6%	0.058	11%	0.107	C	C	.	.	H	α-helix	trans	-62.3	-39.2	-179.9	0	0	0	0	0	111.9	S217 I221 V241 A242 W247 N248 I251	S217-A244 PolarHBondContact OG-N 2.81Å; I221-A244 HydrophobicContact CG2-CB 4.47Å; V241-A244 HydrophobicContact CG1-CB 3.77Å; A242-A244 PolarHBondContact O-N 2.95Å; A244-W247 PolarHBondContact O-N 2.81Å; A244-N248 PolarHBondContact O-N 2.98Å; A244-I251 HydrophobicContact CB-CG1 4.07Å
245	A	98.8	Very high	98.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-72.6	-33.9	175.3	0	0	0	0	0	112.8	L16 V241 A242 R243 W247 N248 P249 I251 F252	L16-A245 HydrophobicContact CD1-CB 3.64Å; V241-A245 HydrophobicContact CG1-CB 4.21Å; A242-A245 PolarHBondContact O-N 3.45Å; A242-A245 VanDerWaalsContact O-N 3.09Å; R243-A245 VanDerWaalsContact C-N 3.3Å; R243-A245 PolarHBondContact O-N 3.22Å; A245-W247 VanDerWaalsContact C-N 3.29Å; A245-W247 PolarHBondContact O-N 3.44Å; A245-N248 CarbonylContact O-C 3.57Å; A245-P249 WeakPolarHBondContact O-CA 3.32Å; A245-P249 VanDerWaalsContact O-CD 3.24Å; A245-P249 WeakPolarHBondContact O-CD 3.23Å; A245-I251 HydrophobicContact CB-CG2 3.84Å; A245-F252 HydrophobicContact CB-CE2 3.63Å; A245-F252 HydrophobicContact CB-CZ 3.97Å
246	M	98.6	Very high	98.6	Very high	26 Å²	26	27.5 Å²	27.5	13%	0.128	14%	0.138	C	C	.	.	H	α-helix	trans	-62.3	-37.4	172.2	178.5	-178.7	79	0	0	111.9	M19 V22 A242 R243 Q287	M19-M246 HydrophobicContact CE-CB 4.37Å; M19-M246 HydrophobicContact SD-CB 3.96Å; V22-M246 HydrophobicContact CG1-CB 4.15Å; V22-M246 HydrophobicContact CG1-CG 3.92Å; V22-M246 HydrophobicContact CG2-CG 3.92Å; V22-M246 HydrophobicContact CG2-SD 3.74Å; A242-M246 PolarHBondContact O-N 2.98Å; R243-M246 WeakPolarHBondContact O-CB 3.39Å; R243-M246 PolarHBondContact O-N 3.28Å; M246-Q287 HydrophobicContact CE-CB 4.26Å; M246-Q287 HydrophobicContact CE-CG 4.43Å; M246-Q287 HydrophobicContact CG-CB 3.7Å; M246-Q287 HydrophobicContact CG-CG 4.14Å; M246-Q287 HydrophobicContact SD-CB 4.02Å; M246-Q287 HydrophobicContact SD-CG 3.9Å
247	W	98.5	Very high	98.6	Very high	52 Å²	52	31.6 Å²	31.6	20%	0.197	16%	0.159	C	C	.	.	H	α-helix	trans	-76.3	-44.6	178.3	-57.5	-26.5	0	0	0	111.9	H218 R243 A244 A245 R290	H218-W247 HydrophobicContact CB-CH2 3.83Å; H218-W247 HydrophobicContact CB-CZ3 3.97Å; R243-W247 HydrophobicContact CB-CD2 4.44Å; R243-W247 HydrophobicContact CB-CH2 4.04Å; R243-W247 HydrophobicContact CB-CZ2 3.83Å; R243-W247 HydrophobicContact CB-CZ3 4.4Å; R243-W247 HydrophobicContact CG-CZ2 4.44Å; R243-W247 PolarHBondContact O-N 3.43Å; A244-W247 PolarHBondContact O-N 2.81Å; A245-W247 VanDerWaalsContact C-N 3.29Å; A245-W247 PolarHBondContact O-N 3.44Å; W247-R290 VanDerWaalsContact CD1-CD 3.46Å
248	N	98.8	Very high	98.6	Very high	22 Å²	22	35.6 Å²	35.6	12%	0.118	17%	0.172	C	C	.	.			trans	-150.8	105.3	173.8	-168.9	-24.3	0	0	0	110.3	A244 A245 S250 I251 L257 R258 L260 V263	A244-N248 PolarHBondContact O-N 2.98Å; A245-N248 CarbonylContact O-C 3.57Å; N248-S250 PolarHBondContact ND2-OG 2.78Å; N248-S250 PolarHBondContact O-N 2.73Å; N248-S250 VanDerWaalsContact O-N 3.08Å; N248-S250 WeakPolarHBondContact OD1-CB 3.41Å; N248-S250 PolarHBondContact OD1-N 3.33Å; N248-S250 PolarHBondContact OD1-OG 2.91Å; N248-I251 WeakPolarHBondContact O-CB 3.48Å; N248-I251 WeakPolarHBondContact O-CG2 3.31Å; N248-I251 PolarHBondContact O-N 2.98Å; N248-L257 HydrophobicContact CB-CD2 4.4Å; N248-R258 PolarHBondContact ND2-O 3.4Å; N248-L260 HydrophobicContact CB-CD1 4.46Å; N248-V263 WeakPolarHBondContact OD1-CG2 3.36Å
249	P	98.8	Very high	98.6	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-63.9	-13.7	-179.6	22.5	-34.5	0	0	0	114	M27 L30 Y34 A245 I251 F252 V263 M288	M27-P249 HydrophobicContact SD-CB 3.88Å; M27-P249 HydrophobicContact SD-CG 4.05Å; L30-P249 HydrophobicContact CD2-CG 3.58Å; L30-P249 HydrophobicContact CG-CB 4.33Å; L30-P249 HydrophobicContact CG-CG 3.84Å; Y34-P249 WeakPolarHBondContact CB-O 3.5Å; Y34-P249 HydrophobicContact CD2-CB 4.13Å; Y34-P249 HydrophobicContact CD2-CG 4.34Å; Y34-P249 HydrophobicContact CE2-CG 4.26Å; A245-P249 WeakPolarHBondContact O-CA 3.32Å; A245-P249 VanDerWaalsContact O-CD 3.24Å; A245-P249 WeakPolarHBondContact O-CD 3.23Å; P249-I251 PolarHBondContact O-N 3.08Å; P249-I251 VanDerWaalsContact O-N 3.12Å; P249-F252 WeakPolarHBondContact O-CD2 3.37Å; P249-V263 HydrophobicContact CG-CG1 3.6Å; P249-M288 HydrophobicContact CG-CE 4.41Å
250	S	98.8	Very high	98.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-69.4	1.4	170.1	71.5	0	0	0	0	114	N248 F252 L253 L257 R258	N248-S250 PolarHBondContact ND2-OG 2.78Å; N248-S250 PolarHBondContact O-N 2.73Å; N248-S250 VanDerWaalsContact O-N 3.08Å; N248-S250 WeakPolarHBondContact OD1-CB 3.41Å; N248-S250 PolarHBondContact OD1-N 3.33Å; N248-S250 PolarHBondContact OD1-OG 2.91Å; S250-F252 PolarHBondContact O-N 3.09Å; S250-F252 VanDerWaalsContact O-N 3.12Å; S250-L253 VanDerWaalsContact O-CB 3.25Å; S250-L253 WeakPolarHBondContact O-CB 3.41Å; S250-L253 PolarHBondContact O-N 2.79Å; S250-L257 WeakPolarHBondContact OG-CA 3.44Å; S250-R258 PolarHBondContact OG-N 2.83Å
251	I	98.9	Very high	98.3	Very high	5 Å²	5	46.4 Å²	46.4	3%	0.026	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-55.5	-24.8	169.5	-167.2	60.5	0	0	0	112.9	I221 I227 V241 A244 A245 N248 P249 L253 L257	I221-I251 HydrophobicContact CG2-CD1 4.27Å; I221-I251 HydrophobicContact CG2-CG1 4.24Å; I227-I251 HydrophobicContact CD1-CG1 4.48Å; V241-I251 HydrophobicContact CG1-CG2 4.35Å; A244-I251 HydrophobicContact CB-CG1 4.07Å; A245-I251 HydrophobicContact CB-CG2 3.84Å; N248-I251 WeakPolarHBondContact O-CB 3.48Å; N248-I251 WeakPolarHBondContact O-CG2 3.31Å; N248-I251 PolarHBondContact O-N 2.98Å; P249-I251 PolarHBondContact O-N 3.08Å; P249-I251 VanDerWaalsContact O-N 3.12Å; I251-L253 VanDerWaalsContact C-N 3.33Å; I251-L257 HydrophobicContact CB-CD2 4.25Å; I251-L257 HydrophobicContact CD1-CD2 4.11Å
252	F	98.9	Very high	98.3	Very high	3 Å²	3	49 Å²	49	1%	0.013	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-82.2	-8.9	176.2	-60.6	-65	0	0	0	113.7	L14 L16 A31 Y34 A36 Y224 I227 V241 A245 P249 S250 K254	L14-F252 HydrophobicContact CB-CD1 3.95Å; L14-F252 HydrophobicContact CB-CE1 4.38Å; L16-F252 HydrophobicContact CB-CE2 4.3Å; L16-F252 HydrophobicContact CB-CZ 4.24Å; L16-F252 HydrophobicContact CD1-CE2 4.11Å; L16-F252 HydrophobicContact CD1-CZ 4.38Å; A31-F252 HydrophobicContact CB-CD2 4.19Å; A31-F252 HydrophobicContact CB-CE2 4.12Å; Y34-F252 CarbonylContact O-C 3.6Å; Y34-F252 WeakPolarHBondContact O-CB 3.36Å; A36-F252 HydrophobicContact CB-CD1 4.37Å; A36-F252 HydrophobicContact CB-CD2 3.93Å; A36-F252 HydrophobicContact CB-CE2 4.18Å; A36-F252 HydrophobicContact CB-CG 4.02Å; A36-F252 HydrophobicContact CB-CZ 4.49Å; Y224-F252 WeakPolarHBondContact CD2-O 3.33Å; Y224-F252 WeakPolarHBondContact CE2-O 3.4Å; I227-F252 HydrophobicContact CD1-CD1 4.44Å; V241-F252 HydrophobicContact CB-CE1 3.91Å; V241-F252 HydrophobicContact CB-CZ 3.86Å; V241-F252 HydrophobicContact CG2-CE1 3.96Å; V241-F252 HydrophobicContact CG2-CZ 4.43Å; A245-F252 HydrophobicContact CB-CE2 3.63Å; A245-F252 HydrophobicContact CB-CZ 3.97Å; P249-F252 WeakPolarHBondContact O-CD2 3.37Å; S250-F252 PolarHBondContact O-N 3.09Å; S250-F252 VanDerWaalsContact O-N 3.12Å; F252-K254 PolarHBondContact O-N 3.34Å
253	L	98.8	Very high	98.3	Very high	34 Å²	34	48 Å²	48	18%	0.178	23%	0.234	C	C	.	.			trans	-82.1	120.6	-176.2	-171	66	0	0	0	110.3	Y34 S250 I251 E255 G256 R258	Y34-L253 HydrophobicContact CD1-CB 4.27Å; Y34-L253 HydrophobicContact CD1-CD1 4.47Å; Y34-L253 HydrophobicContact CD1-CD2 4.16Å; Y34-L253 WeakPolarHBondContact O-CA 3.25Å; Y34-L253 PolarHBondContact O-N 3.46Å; S250-L253 VanDerWaalsContact O-CB 3.25Å; S250-L253 WeakPolarHBondContact O-CB 3.41Å; S250-L253 PolarHBondContact O-N 2.79Å; I251-L253 VanDerWaalsContact C-N 3.33Å; L253-E255 WeakPolarHBondContact CD1-OE2 3.49Å; L253-E255 HydrophobicContact CG-CB 4.44Å; L253-E255 WeakPolarHBondContact CG-OE2 3.33Å; L253-E255 PolarHBondContact O-N 2.84Å; L253-G256 PolarHBondContact O-N 3.45Å; L253-G256 VanDerWaalsContact O-N 3.07Å; L253-R258 HydrophobicContact CD2-CG 3.74Å
254	K	98.2	Very high	98.3	Very high	150 Å²	150	45.6 Å²	45.6	65%	0.652	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-33.8	-175.4	-176	170.3	-176.7	-179.5	0	113	Y224 F252 G256	Y224-K254 HydrophobicContact CD1-CB 4.35Å; Y224-K254 HydrophobicContact CD1-CG 4.19Å; Y224-K254 HydrophobicContact CE1-CB 3.91Å; Y224-K254 HydrophobicContact CE1-CD 4.34Å; Y224-K254 HydrophobicContact CE1-CG 3.63Å; Y224-K254 HydrophobicContact CE2-CB 4.05Å; F252-K254 PolarHBondContact O-N 3.34Å; K254-G256 PolarHBondContact O-N 2.97Å
255	E	98.1	Very high	98.3	Very high	153 Å²	153	47.5 Å²	47.5	72%	0.715	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-8.2	-179.1	-62.7	69.3	-149.9	0	0	112.9	L253	L253-E255 WeakPolarHBondContact CD1-OE2 3.49Å; L253-E255 HydrophobicContact CG-CB 4.44Å; L253-E255 WeakPolarHBondContact CG-OE2 3.33Å; L253-E255 PolarHBondContact O-N 2.84Å
256	G	97.7	Very high	98.3	Very high	27 Å²	27	51 Å²	51	28%	0.278	25%	0.247	S	C	.	.			trans	111.3	172.7	177.5	0	0	0	0	0	113.9	L253 K254 R258	L253-G256 PolarHBondContact O-N 3.45Å; L253-G256 VanDerWaalsContact O-N 3.07Å; K254-G256 PolarHBondContact O-N 2.97Å; G256-R258 PolarHBondContact O-N 2.89Å
257	L	98.5	Very high	98.4	Very high	87 Å²	87	49.8 Å²	49.8	46%	0.455	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-62.7	136.4	-176.3	-67.1	174.7	0	0	0	111.6	N248 S250 I251	N248-L257 HydrophobicContact CB-CD2 4.4Å; S250-L257 WeakPolarHBondContact OG-CA 3.44Å; I251-L257 HydrophobicContact CB-CD2 4.25Å; I251-L257 HydrophobicContact CD1-CD2 4.11Å
258	R	98.6	Very high	98.4	Very high	103 Å²	103	47.3 Å²	47.3	39%	0.389	23%	0.232	S	C	.	.	P	Polyproline II helix	trans	-83.7	150	170.3	-59.3	-52.4	-59.5	171.3	0	110.9	Y34 N248 S250 L253 G256 L260 E262 V263	Y34-R258 HydrophobicContact CD1-CG 4.42Å; Y34-R258 HydrophobicContact CE1-CG 3.7Å; N248-R258 PolarHBondContact ND2-O 3.4Å; S250-R258 PolarHBondContact OG-N 2.83Å; L253-R258 HydrophobicContact CD2-CG 3.74Å; G256-R258 PolarHBondContact O-N 2.89Å; R258-L260 PolarHBondContact O-N 2.87Å; R258-E262 IonicContact CZ-OE2 2.74Å; R258-E262 VanDerWaalsContact CZ-OE2 3.31Å; R258-E262 IonicContact NE-OE1 3.67Å; R258-E262 PolarHBondContact NE-OE1 2.86Å; R258-E262 IonicContact NE-OE2 3.33Å; R258-E262 PolarHBondContact NE-OE2 3.38Å; R258-E262 IonicContact NH2-OE1 3.36Å; R258-E262 IonicContact NH2-OE2 3.58Å; R258-E262 PolarHBondContact NH2-OE2 2.92Å; R258-V263 HydrophobicContact CB-CG2 3.79Å
259	P	98.1	Very high	98.4	Very high	77 Å²	77	50.2 Å²	50.2	50%	0.5	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-52.3	137.3	172.5	-25.5	34.7	0	0	0	111.4	E261 E262 V263	P259-E261 PolarHBondContact O-N 2.65Å; P259-E262 WeakPolarHBondContact O-CB 3.43Å; P259-E262 PolarHBondContact O-N 2.8Å; P259-E262 VanDerWaalsContact O-N 3.09Å; P259-V263 WeakPolarHBondContact O-CG2 3.41Å; P259-V263 PolarHBondContact O-N 2.88Å
260	L	96.9	Very high	98.4	Very high	35 Å²	35	51.8 Å²	51.8	18%	0.183	25%	0.248	C	C	.	.	H	α-helix	trans	-60.7	-33.9	-173.6	-165.3	66.5	0	0	0	112.5	N248 R258 V263 M264 M288	N248-L260 HydrophobicContact CB-CD1 4.46Å; R258-L260 PolarHBondContact O-N 2.87Å; L260-V263 PolarHBondContact O-N 3.09Å; L260-M264 HydrophobicContact CD2-CE 4.27Å; L260-M264 HydrophobicContact CD2-SD 4.36Å; L260-M264 HydrophobicContact CG-CE 4.02Å; L260-M264 HydrophobicContact CG-CG 4.24Å; L260-M264 HydrophobicContact CG-SD 4.19Å; L260-M264 WeakPolarHBondContact O-CB 3.33Å; L260-M264 VanDerWaalsContact O-CG 3.3Å; L260-M264 WeakPolarHBondContact O-CG 3.32Å; L260-M264 PolarHBondContact O-N 3.15Å; L260-M288 HydrophobicContact CD1-CB 4.11Å; L260-M288 WeakPolarHBondContact CD2-O 3.44Å
261	E	96.3	Very high	98.4	Very high	118 Å²	118	51.9 Å²	51.9	55%	0.551	25%	0.249	S	C	*	.	H	α-helix	trans	-58.2	-48	175.2	-174.5	-179.1	-179.4	0	0	112.2	P259 V263 M264 Q265	P259-E261 PolarHBondContact O-N 2.65Å; E261-V263 VanDerWaalsContact C-N 3.29Å; E261-V263 PolarHBondContact O-N 3.22Å; E261-M264 PolarHBondContact O-N 2.96Å; E261-Q265 WeakPolarHBondContact O-CG 3.48Å; E261-Q265 PolarHBondContact O-N 3.25Å
262	E	98.1	Very high	98.4	Very high	55 Å²	55	52.2 Å²	52.2	26%	0.257	25%	0.251	S	S	.	.	H	α-helix	trans	-58.9	-44.6	177.5	-173.8	-167.9	141.1	0	0	110.8	R258 P259 K266	R258-E262 IonicContact CZ-OE2 2.74Å; R258-E262 VanDerWaalsContact CZ-OE2 3.31Å; R258-E262 IonicContact NE-OE1 3.67Å; R258-E262 PolarHBondContact NE-OE1 2.86Å; R258-E262 IonicContact NE-OE2 3.33Å; R258-E262 PolarHBondContact NE-OE2 3.38Å; R258-E262 IonicContact NH2-OE1 3.36Å; R258-E262 IonicContact NH2-OE2 3.58Å; R258-E262 PolarHBondContact NH2-OE2 2.92Å; P259-E262 WeakPolarHBondContact O-CB 3.43Å; P259-E262 PolarHBondContact O-N 2.8Å; P259-E262 VanDerWaalsContact O-N 3.09Å; E262-K266 HydrophobicContact CG-CD 4.43Å; E262-K266 PolarHBondContact O-N 3.34Å
263	V	98.7	Very high	98.4	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-64.7	-47.6	-179.1	176.3	0	0	0	0	111.3	L30 Y34 N248 P249 R258 P259 L260 E261 K266 Y267	L30-V263 HydrophobicContact CD2-CG1 4.15Å; Y34-V263 HydrophobicContact CE2-CG1 4.36Å; Y34-V263 HydrophobicContact CE2-CG2 4.27Å; Y34-V263 WeakPolarHBondContact OH-CG2 3.42Å; N248-V263 WeakPolarHBondContact OD1-CG2 3.36Å; P249-V263 HydrophobicContact CG-CG1 3.6Å; R258-V263 HydrophobicContact CB-CG2 3.79Å; P259-V263 WeakPolarHBondContact O-CG2 3.41Å; P259-V263 PolarHBondContact O-N 2.88Å; L260-V263 PolarHBondContact O-N 3.09Å; E261-V263 VanDerWaalsContact C-N 3.29Å; E261-V263 PolarHBondContact O-N 3.22Å; V263-K266 PolarHBondContact O-N 3.25Å; V263-Y267 WeakPolarHBondContact O-CB 3.38Å; V263-Y267 PolarHBondContact O-N 2.81Å
264	M	98.6	Very high	98.3	Very high	3 Å²	3	56 Å²	56	2%	0.015	27%	0.266	C	S	.	.	H	α-helix	trans	-64.6	-41.4	178.9	-72.4	-173.6	-60.9	0	0	111.6	L260 E261 K266 Y267 I268 L285 M288 L289 F314	L260-M264 HydrophobicContact CD2-CE 4.27Å; L260-M264 HydrophobicContact CD2-SD 4.36Å; L260-M264 HydrophobicContact CG-CE 4.02Å; L260-M264 HydrophobicContact CG-CG 4.24Å; L260-M264 HydrophobicContact CG-SD 4.19Å; L260-M264 WeakPolarHBondContact O-CB 3.33Å; L260-M264 VanDerWaalsContact O-CG 3.3Å; L260-M264 WeakPolarHBondContact O-CG 3.32Å; L260-M264 PolarHBondContact O-N 3.15Å; E261-M264 PolarHBondContact O-N 2.96Å; M264-K266 PolarHBondContact O-N 2.86Å; M264-Y267 WeakPolarHBondContact O-CB 3.3Å; M264-Y267 PolarHBondContact O-N 2.92Å; M264-I268 VanDerWaalsContact O-CG1 3.27Å; M264-I268 WeakPolarHBondContact O-CG1 3.45Å; M264-I268 PolarHBondContact O-N 2.94Å; M264-L285 HydrophobicContact CB-CD2 3.8Å; M264-L285 HydrophobicContact CG-CD2 3.75Å; M264-L285 HydrophobicContact SD-CD2 4.19Å; M264-M288 HydrophobicContact CG-CB 4.3Å; M264-M288 HydrophobicContact CG-SD 3.74Å; M264-M288 HydrophobicContact SD-CB 4.34Å; M264-L289 HydrophobicContact CE-CD2 3.88Å; M264-L289 HydrophobicContact SD-CD2 3.82Å; M264-L289 HydrophobicContact SD-CG 3.83Å; M264-F314 HydrophobicContact CB-CD1 4.18Å; M264-F314 HydrophobicContact CB-CE1 3.8Å; M264-F314 HydrophobicContact CE-CE1 3.81Å; M264-F314 HydrophobicContact CG-CE1 4.31Å; M264-F314 HydrophobicContact SD-CE1 3.68Å; M264-F314 HydrophobicContact SD-CZ 4.21Å
265	Q	98.6	Very high	98.3	Very high	47 Å²	47	52.7 Å²	52.7	22%	0.22	26%	0.256	C	S	.	.	H	α-helix	trans	-62.9	-43.5	176	-70.9	-174.9	17.1	0	0	111.8	E261 Y267 I268 R269 L316	E261-Q265 WeakPolarHBondContact O-CG 3.48Å; E261-Q265 PolarHBondContact O-N 3.25Å; Q265-Y267 VanDerWaalsContact C-N 3.35Å; Q265-I268 PolarHBondContact O-N 3.33Å; Q265-R269 WeakPolarHBondContact O-CG 3.22Å; Q265-R269 PolarHBondContact O-N 2.79Å; Q265-L316 HydrophobicContact CB-CD1 4.19Å; Q265-L316 HydrophobicContact CG-CD1 4.29Å
266	K	98.8	Very high	98.3	Very high	74 Å²	74	46.5 Å²	46.5	32%	0.322	23%	0.227	S	C	.	.	H	α-helix	trans	-61.4	-42.1	174.4	-77.8	168.2	172.1	-94.4	0	111.9	L30 Y34 E262 V263 M264 R269 Y270	L30-K266 HydrophobicContact CD1-CB 3.72Å; L30-K266 HydrophobicContact CD1-CD 4.35Å; Y34-K266 WeakPolarHBondContact OH-CD 3.32Å; E262-K266 HydrophobicContact CG-CD 4.43Å; E262-K266 PolarHBondContact O-N 3.34Å; V263-K266 PolarHBondContact O-N 3.25Å; M264-K266 PolarHBondContact O-N 2.86Å; K266-R269 PolarHBondContact O-N 2.89Å; K266-Y270 PolarHBondContact O-N 2.93Å
267	Y	98.9	Very high	98.3	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-59.4	-46.9	175.3	-179.5	-100.5	0	0	0	112.2	P26 M27 L30 V263 M264 Q265 R269 Y270 A271 T281 C284 L285 M288	P26-Y267 HydrophobicContact CB-CD2 4.05Å; P26-Y267 HydrophobicContact CB-CE2 3.65Å; M27-Y267 HydrophobicContact CB-CE2 4.13Å; M27-Y267 HydrophobicContact CE-CD2 4.48Å; M27-Y267 HydrophobicContact CE-CE2 4.31Å; L30-Y267 HydrophobicContact CD2-CD2 4.16Å; L30-Y267 HydrophobicContact CD2-CG 4.42Å; V263-Y267 WeakPolarHBondContact O-CB 3.38Å; V263-Y267 PolarHBondContact O-N 2.81Å; M264-Y267 WeakPolarHBondContact O-CB 3.3Å; M264-Y267 PolarHBondContact O-N 2.92Å; Q265-Y267 VanDerWaalsContact C-N 3.35Å; Y267-R269 VanDerWaalsContact C-N 3.33Å; Y267-R269 PolarHBondContact O-N 2.94Å; Y267-Y270 PolarHBondContact O-N 3.48Å; Y267-A271 WeakPolarHBondContact O-CB 3.38Å; Y267-A271 PolarHBondContact O-N 2.72Å; Y267-T281 HydrophobicContact CD1-CG2 4.46Å; Y267-T281 HydrophobicContact CE1-CG2 3.9Å; Y267-C284 HydrophobicContact CE1-CB 3.84Å; Y267-C284 HydrophobicContact CE2-CB 4.3Å; Y267-C284 VanDerWaalsContact OH-CB 3.23Å; Y267-C284 WeakPolarHBondContact OH-CB 3.43Å; Y267-C284 PolarHBondContact OH-SG 2.97Å; Y267-L285 HydrophobicContact CD1-CD2 3.86Å; Y267-L285 HydrophobicContact CD1-CG 4.05Å; Y267-L285 HydrophobicContact CE1-CG 4.22Å; Y267-M288 HydrophobicContact CD1-CE 4.48Å; Y267-M288 HydrophobicContact CD2-CE 4.04Å; Y267-M288 HydrophobicContact CG-CE 4Å
268	I	98.9	Very high	98.3	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-62.4	-41.4	178.6	-68.1	162.9	0	0	0	110.8	M264 Q265 Y270 A271 V272 L285 I310 C311 F314 L316	M264-I268 VanDerWaalsContact O-CG1 3.27Å; M264-I268 WeakPolarHBondContact O-CG1 3.45Å; M264-I268 PolarHBondContact O-N 2.94Å; Q265-I268 PolarHBondContact O-N 3.33Å; I268-Y270 PolarHBondContact O-N 3.38Å; I268-A271 WeakPolarHBondContact O-CB 3.25Å; I268-A271 PolarHBondContact O-N 3.29Å; I268-A271 VanDerWaalsContact O-N 3.08Å; I268-V272 HydrophobicContact CG2-CG2 4.31Å; I268-V272 WeakPolarHBondContact O-CG2 3.32Å; I268-V272 PolarHBondContact O-N 3.21Å; I268-L285 HydrophobicContact CD1-CD1 3.93Å; I268-L285 HydrophobicContact CD1-CD2 4.22Å; I268-L285 HydrophobicContact CG1-CD1 3.82Å; I268-L285 HydrophobicContact CG1-CD2 4.13Å; I268-I310 HydrophobicContact CD1-CG2 4.28Å; I268-I310 HydrophobicContact CG1-CG2 4.33Å; I268-C311 VanDerWaalsContact CG2-SG 3.6Å; I268-F314 HydrophobicContact CD1-CB 3.65Å; I268-F314 HydrophobicContact CD1-CD1 3.45Å; I268-F314 VanDerWaalsContact CD1-CD1 3.45Å; I268-F314 HydrophobicContact CD1-CD2 3.72Å; I268-F314 HydrophobicContact CD1-CE1 4.01Å; I268-F314 HydrophobicContact CD1-CE2 4.23Å; I268-F314 HydrophobicContact CD1-CG 3.31Å; I268-F314 HydrophobicContact CD1-CZ 4.37Å; I268-L316 HydrophobicContact CB-CD1 3.8Å; I268-L316 HydrophobicContact CD1-CD1 4.26Å; I268-L316 HydrophobicContact CG2-CD1 3.61Å
269	R	98.9	Very high	98.2	Very high	82 Å²	82	48 Å²	48	31%	0.309	23%	0.232	S	C	.	.	H	α-helix	trans	-57.2	-48.5	176.6	-71.2	-178.1	-175.6	97.8	0.9	111.8	Q265 K266 Y267 A271 V272 Q273 F319	Q265-R269 WeakPolarHBondContact O-CG 3.22Å; Q265-R269 PolarHBondContact O-N 2.79Å; K266-R269 PolarHBondContact O-N 2.89Å; Y267-R269 VanDerWaalsContact C-N 3.33Å; Y267-R269 PolarHBondContact O-N 2.94Å; R269-A271 VanDerWaalsContact C-N 3.33Å; R269-A271 PolarHBondContact O-N 3.4Å; R269-V272 PolarHBondContact O-N 3.18Å; R269-Q273 WeakPolarHBondContact O-CB 3.21Å; R269-Q273 VanDerWaalsContact O-CG 3.27Å; R269-Q273 WeakPolarHBondContact O-CG 3.31Å; R269-Q273 PolarHBondContact O-N 2.91Å; R269-F319 HydrophobicContact CB-CE1 3.99Å; R269-F319 HydrophobicContact CB-CE2 4.42Å; R269-F319 HydrophobicContact CB-CZ 3.72Å; R269-F319 HydrophobicContact CG-CD1 4.12Å; R269-F319 HydrophobicContact CG-CD2 4.44Å; R269-F319 HydrophobicContact CG-CE1 3.69Å; R269-F319 HydrophobicContact CG-CE2 4.02Å; R269-F319 HydrophobicContact CG-CG 4.48Å; R269-F319 HydrophobicContact CG-CZ 3.62Å
270	Y	98.9	Very high	98.3	Very high	33 Å²	33	45.3 Å²	45.3	13%	0.129	21%	0.213	C	C	.	.	H	α-helix	trans	-62.5	-40.3	173.5	-73.8	-49	0	0	0	112.7	L29 L30 D33 R79 K266 Y267 I268 V272 Q273 Y274	L29-Y270 HydrophobicContact CB-CD1 4.46Å; L29-Y270 HydrophobicContact CB-CD2 4.28Å; L29-Y270 HydrophobicContact CB-CE1 4.33Å; L29-Y270 HydrophobicContact CB-CE2 4.15Å; L29-Y270 HydrophobicContact CB-CG 4.45Å; L29-Y270 HydrophobicContact CD1-CD1 4.09Å; L29-Y270 HydrophobicContact CD1-CE1 4.26Å; L30-Y270 HydrophobicContact CB-CD2 4.26Å; L30-Y270 HydrophobicContact CB-CE2 4.29Å; L30-Y270 HydrophobicContact CD1-CE2 4.23Å; D33-Y270 PolarHBondContact OD1-OH 2.95Å; D33-Y270 WeakPolarHBondContact OD2-CE2 3.22Å; D33-Y270 PolarHBondContact OD2-OH 2.81Å; R79-Y270 PolarHBondContact NH1-OH 3.12Å; K266-Y270 PolarHBondContact O-N 2.93Å; Y267-Y270 PolarHBondContact O-N 3.48Å; I268-Y270 PolarHBondContact O-N 3.38Å; Y270-V272 VanDerWaalsContact C-N 3.29Å; Y270-V272 PolarHBondContact O-N 3.09Å; Y270-Q273 PolarHBondContact O-N 3.12Å; Y270-Y274 HydrophobicContact CD1-CD2 4.18Å; Y270-Y274 AromaticContact CD1-CE2 3.81Å; Y270-Y274 HydrophobicContact CD1-CE2 3.81Å; Y270-Y274 HydrophobicContact CE1-CE2 4.45Å; Y270-Y274 WeakPolarHBondContact O-CB 3.32Å; Y270-Y274 WeakPolarHBondContact O-CD2 3.36Å; Y270-Y274 PolarHBondContact O-N 3.04Å
271	A	98.8	Very high	98.3	Very high	3 Å²	3	43.9 Å²	43.9	3%	0.025	21%	0.206	C	C	.	.	H	α-helix	trans	-60.9	-38.3	178.9	0	0	0	0	0	112.4	P26 Y267 I268 R269 D275 N276 T281	P26-A271 HydrophobicContact CB-CB 4.45Å; P26-A271 HydrophobicContact CG-CB 4.23Å; Y267-A271 WeakPolarHBondContact O-CB 3.38Å; Y267-A271 PolarHBondContact O-N 2.72Å; I268-A271 WeakPolarHBondContact O-CB 3.25Å; I268-A271 PolarHBondContact O-N 3.29Å; I268-A271 VanDerWaalsContact O-N 3.08Å; R269-A271 VanDerWaalsContact C-N 3.33Å; R269-A271 PolarHBondContact O-N 3.4Å; A271-D275 PolarHBondContact O-N 3.23Å; A271-N276 HydrophobicContact CB-CB 3.99Å; A271-N276 WeakPolarHBondContact O-CB 3.2Å; A271-N276 PolarHBondContact O-N 3.48Å; A271-T281 HydrophobicContact CB-CG2 3.69Å
272	V	98.6	Very high	98.5	Very high	12 Å²	12	39.9 Å²	39.9	7%	0.073	19%	0.186	C	C	.	.	H	α-helix	trans	-73.1	-50.7	176	177	0	0	0	0	111	I268 R269 Y270 Y274 D275 C311 F319 Y320 T323	I268-V272 HydrophobicContact CG2-CG2 4.31Å; I268-V272 WeakPolarHBondContact O-CG2 3.32Å; I268-V272 PolarHBondContact O-N 3.21Å; R269-V272 PolarHBondContact O-N 3.18Å; Y270-V272 VanDerWaalsContact C-N 3.29Å; Y270-V272 PolarHBondContact O-N 3.09Å; V272-Y274 PolarHBondContact O-N 3.48Å; V272-D275 PolarHBondContact O-N 2.69Å; V272-C311 VanDerWaalsContact CG2-SG 3.52Å; V272-F319 HydrophobicContact CB-CE1 3.94Å; V272-F319 HydrophobicContact CG1-CE1 4.18Å; V272-F319 HydrophobicContact CG2-CE1 4.25Å; V272-Y320 HydrophobicContact CG1-CD2 4.01Å; V272-Y320 HydrophobicContact CG2-CD2 4.02Å; V272-T323 HydrophobicContact CG1-CG2 3.87Å
273	Q	98.6	Very high	98.5	Very high	76 Å²	76	40.6 Å²	40.6	36%	0.355	19%	0.187	S	C	.	.	H	α-helix	trans	-58	-35.7	-177.8	-74.4	169.6	-21.1	0	0	112.9	R269 Y270 F319 T323	R269-Q273 WeakPolarHBondContact O-CB 3.21Å; R269-Q273 VanDerWaalsContact O-CG 3.27Å; R269-Q273 WeakPolarHBondContact O-CG 3.31Å; R269-Q273 PolarHBondContact O-N 2.91Å; Y270-Q273 PolarHBondContact O-N 3.12Å; Q273-F319 HydrophobicContact CG-CZ 4.15Å; Q273-T323 HydrophobicContact CG-CG2 4.04Å
274	Y	98.4	Very high	98.5	Very high	39 Å²	39	40.7 Å²	40.7	15%	0.153	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	21.1	179.7	-67.7	-72	0	0	0	113.3	L25 L29 T62 R75 C77 Y270 V272 N276	L25-Y274 HydrophobicContact CD2-CD1 3.56Å; L25-Y274 HydrophobicContact CD2-CD2 4.22Å; L25-Y274 HydrophobicContact CD2-CE1 3.94Å; L25-Y274 HydrophobicContact CD2-CG 3.69Å; L25-Y274 HydrophobicContact CG-CG 4.46Å; L29-Y274 HydrophobicContact CD1-CD2 3.86Å; L29-Y274 HydrophobicContact CD1-CE2 3.19Å; T62-Y274 HydrophobicContact CG2-CD1 3.52Å; T62-Y274 HydrophobicContact CG2-CE1 3.73Å; R75-Y274 PolarHBondContact NH1-O 3.5Å; C77-Y274 HydrophobicContact CB-CE1 4.22Å; Y270-Y274 HydrophobicContact CD1-CD2 4.18Å; Y270-Y274 AromaticContact CD1-CE2 3.81Å; Y270-Y274 HydrophobicContact CD1-CE2 3.81Å; Y270-Y274 HydrophobicContact CE1-CE2 4.45Å; Y270-Y274 WeakPolarHBondContact O-CB 3.32Å; Y270-Y274 WeakPolarHBondContact O-CD2 3.36Å; Y270-Y274 PolarHBondContact O-N 3.04Å; V272-Y274 PolarHBondContact O-N 3.48Å; Y274-N276 PolarHBondContact O-N 2.71Å; Y274-N276 VanDerWaalsContact O-N 3.1Å
275	D	97.1	Very high	98.5	Very high	82 Å²	82	40.5 Å²	40.5	44%	0.439	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	44.7	47.5	175.5	-170.7	34.5	0	0	0	112.7	L60 R75 A271 V272	L60-D275 HydrophobicContact CD1-CB 3.85Å; L60-D275 HydrophobicContact CD2-CB 4.22Å; R75-D275 PolarHBondContact NH1-O 2.97Å; A271-D275 PolarHBondContact O-N 3.23Å; V272-D275 PolarHBondContact O-N 2.69Å
276	N	98.4	Very high	98.5	Very high	22 Å²	22	39.4 Å²	39.4	12%	0.118	18%	0.184	C	C	.	.			trans	-74	136.1	179.2	-168.8	61.7	0	0	0	109.5	P26 A271 Y274 Y278 N280 T281	P26-N276 HydrophobicContact CG-CB 3.86Å; A271-N276 HydrophobicContact CB-CB 3.99Å; A271-N276 WeakPolarHBondContact O-CB 3.2Å; A271-N276 PolarHBondContact O-N 3.48Å; Y274-N276 PolarHBondContact O-N 2.71Å; Y274-N276 VanDerWaalsContact O-N 3.1Å; N276-Y278 PolarHBondContact O-N 2.87Å; N276-N280 PolarHBondContact ND2-OD1 3.48Å; N276-T281 PolarHBondContact ND2-OG1 3.17Å
277	H	97.6	Very high	98.4	Very high	116 Å²	116	38.2 Å²	38.2	54%	0.537	18%	0.18	S	C	.	.			trans	-61.2	128.3	-176.6	-166.5	-83	0	0	0	111.2	T279 N280 T281	H277-T279 PolarHBondContact CE1-OG1 3.1Å; H277-T279 VanDerWaalsContact CE1-OG1 3.31Å; H277-T279 PolarHBondContact ND1-N 3.41Å; H277-T279 PolarHBondContact ND1-OG1 3.34Å; H277-T279 PolarHBondContact O-N 3.04Å; H277-T279 VanDerWaalsContact O-N 3.08Å; H277-N280 WeakPolarHBondContact O-CA 3.14Å; H277-N280 WeakPolarHBondContact O-CB 3.16Å; H277-N280 PolarHBondContact O-N 3.05Å; H277-T281 PolarHBondContact O-N 3.41Å; H277-T281 VanDerWaalsContact O-N 3.11Å; H277-T281 PolarHBondContact O-OG1 3.1Å
278	Y	97.6	Very high	98.4	Very high	64 Å²	64	38.6 Å²	38.6	25%	0.251	18%	0.181	S	C	.	.	H	α-helix	trans	-56.2	-35.1	-170.5	81.1	-86.6	0	0	0	113.6	N276 N280 T281 K282 Q305 S307 I310	N276-Y278 PolarHBondContact O-N 2.87Å; Y278-N280 VanDerWaalsContact C-N 3.3Å; Y278-N280 PolarHBondContact O-N 3.39Å; Y278-T281 WeakPolarHBondContact O-CB 3.42Å; Y278-T281 PolarHBondContact O-N 3.03Å; Y278-K282 VanDerWaalsContact O-CB 3.27Å; Y278-K282 WeakPolarHBondContact O-CB 3.49Å; Y278-K282 PolarHBondContact O-N 3.25Å; Y278-Q305 VanDerWaalsContact CE2-C 3.45Å; Y278-Q305 VanDerWaalsContact CE2-O 3.29Å; Y278-Q305 WeakPolarHBondContact CE2-O 3.5Å; Y278-Q305 VanDerWaalsContact CZ-O 3.23Å; Y278-S307 WeakPolarHBondContact CB-OG 3.4Å; Y278-I310 WeakPolarHBondContact O-CD1 3.39Å
279	T	98.1	Very high	98.3	Very high	69 Å²	69	38.7 Å²	38.7	42%	0.423	18%	0.182	S	C	.	.	H	α-helix	trans	-65.2	-33.7	177.2	60.8	0	0	0	0	112.5	H277 Y283	H277-T279 PolarHBondContact CE1-OG1 3.1Å; H277-T279 VanDerWaalsContact CE1-OG1 3.31Å; H277-T279 PolarHBondContact ND1-N 3.41Å; H277-T279 PolarHBondContact ND1-OG1 3.34Å; H277-T279 PolarHBondContact O-N 3.04Å; H277-T279 VanDerWaalsContact O-N 3.08Å; T279-Y283 WeakPolarHBondContact O-CB 3.25Å; T279-Y283 PolarHBondContact O-N 3.31Å
280	N	98.6	Very high	98	Very high	21 Å²	21	39.8 Å²	39.8	11%	0.112	19%	0.186	C	C	.	.	H	α-helix	trans	-72	-44.3	174.4	179.2	-91.5	0	0	0	110.8	R21 T24 N276 H277 Y278 K282 Y283 C284	R21-N280 PolarHBondContact O-ND2 2.96Å; T24-N280 PolarHBondContact OG1-OD1 3.46Å; N276-N280 PolarHBondContact ND2-OD1 3.48Å; H277-N280 WeakPolarHBondContact O-CA 3.14Å; H277-N280 WeakPolarHBondContact O-CB 3.16Å; H277-N280 PolarHBondContact O-N 3.05Å; Y278-N280 VanDerWaalsContact C-N 3.3Å; Y278-N280 PolarHBondContact O-N 3.39Å; N280-K282 VanDerWaalsContact C-N 3.34Å; N280-K282 PolarHBondContact O-N 3.26Å; N280-Y283 PolarHBondContact O-N 3.46Å; N280-C284 PolarHBondContact O-N 3.48Å; N280-C284 VanDerWaalsContact O-N 3.1Å; N280-C284 PolarHBondContact O-SG 3.33Å; N280-C284 VanDerWaalsContact O-SG 3.34Å
281	T	98.8	Very high	97.5	Very high	4 Å²	4	45.9 Å²	45.9	3%	0.025	22%	0.216	C	C	.	.	H	α-helix	trans	-55.4	-50.7	173.8	-53.9	0	0	0	0	110.9	Y267 A271 N276 H277 Y278 Y283 C284 L285 I310	Y267-T281 HydrophobicContact CD1-CG2 4.46Å; Y267-T281 HydrophobicContact CE1-CG2 3.9Å; A271-T281 HydrophobicContact CB-CG2 3.69Å; N276-T281 PolarHBondContact ND2-OG1 3.17Å; H277-T281 PolarHBondContact O-N 3.41Å; H277-T281 VanDerWaalsContact O-N 3.11Å; H277-T281 PolarHBondContact O-OG1 3.1Å; Y278-T281 WeakPolarHBondContact O-CB 3.42Å; Y278-T281 PolarHBondContact O-N 3.03Å; T281-Y283 PolarHBondContact O-N 2.78Å; T281-C284 PolarHBondContact O-N 2.89Å; T281-L285 HydrophobicContact CG2-CD1 4.06Å; T281-L285 WeakPolarHBondContact O-CG 3.49Å; T281-L285 PolarHBondContact O-N 2.86Å; T281-I310 HydrophobicContact CG2-CD1 4.35Å; T281-I310 HydrophobicContact CG2-CG2 4.35Å
282	K	98.6	Very high	97.1	Very high	34 Å²	34	50.8 Å²	50.8	15%	0.148	24%	0.238	C	C	.	.	H	α-helix	trans	-58.2	-46.7	176.7	-178.1	172.7	-179.8	168.3	0	112.2	Y278 N280 C284 L285 C286 L301 H302 A304 I310	Y278-K282 VanDerWaalsContact O-CB 3.27Å; Y278-K282 WeakPolarHBondContact O-CB 3.49Å; Y278-K282 PolarHBondContact O-N 3.25Å; N280-K282 VanDerWaalsContact C-N 3.34Å; N280-K282 PolarHBondContact O-N 3.26Å; K282-C284 VanDerWaalsContact C-N 3.34Å; K282-C284 PolarHBondContact O-N 3Å; K282-L285 PolarHBondContact O-N 3.34Å; K282-C286 PolarHBondContact O-N 3.46Å; K282-C286 PolarHBondContact O-SG 3.46Å; K282-L301 HydrophobicContact CB-CD1 4.41Å; K282-L301 WeakPolarHBondContact CE-O 3.42Å; K282-L301 HydrophobicContact CG-CD1 4.08Å; K282-L301 HydrophobicContact CG-CG 4.29Å; K282-L301 PolarHBondContact NZ-O 3.31Å; K282-H302 WeakPolarHBondContact CE-O 3.46Å; K282-H302 PolarHBondContact NZ-O 2.92Å; K282-A304 PolarHBondContact NZ-O 3.29Å; K282-I310 HydrophobicContact CB-CD1 4.03Å
283	Y	98.6	Very high	96.7	Very high	71 Å²	71	53 Å²	53	28%	0.278	25%	0.249	S	C	.	.	H	α-helix	trans	-55.2	-49.1	177.8	175.1	-97.4	0	0	0	111.8	R21 V22 T279 N280 T281 C286 Q287	R21-Y283 HydrophobicContact CB-CD1 3.6Å; R21-Y283 HydrophobicContact CB-CE1 3.59Å; R21-Y283 HydrophobicContact CB-CG 4.45Å; R21-Y283 HydrophobicContact CG-CD1 4.46Å; R21-Y283 HydrophobicContact CG-CE1 4.43Å; V22-Y283 HydrophobicContact CG2-CD1 4.49Å; V22-Y283 HydrophobicContact CG2-CE1 3.79Å; T279-Y283 WeakPolarHBondContact O-CB 3.25Å; T279-Y283 PolarHBondContact O-N 3.31Å; N280-Y283 PolarHBondContact O-N 3.46Å; T281-Y283 PolarHBondContact O-N 2.78Å; Y283-C286 PolarHBondContact O-N 2.68Å; Y283-Q287 HydrophobicContact CD1-CG 4.35Å; Y283-Q287 HydrophobicContact CE1-CG 3.94Å; Y283-Q287 WeakPolarHBondContact O-CG 3.45Å; Y283-Q287 PolarHBondContact O-N 2.87Å; Y283-Q287 VanDerWaalsContact O-N 3.1Å; Y283-Q287 PolarHBondContact O-NE2 2.94Å
284	C	98.8	Very high	96.5	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.007	26%	0.262	C	S	.	.	H	α-helix	trans	-66.9	-42	-178.4	-61.1	0	0	0	0	112.4	Y267 N280 T281 K282 C286 Q287 M288	Y267-C284 HydrophobicContact CE1-CB 3.84Å; Y267-C284 HydrophobicContact CE2-CB 4.3Å; Y267-C284 VanDerWaalsContact OH-CB 3.23Å; Y267-C284 WeakPolarHBondContact OH-CB 3.43Å; Y267-C284 PolarHBondContact OH-SG 2.97Å; N280-C284 PolarHBondContact O-N 3.48Å; N280-C284 VanDerWaalsContact O-N 3.1Å; N280-C284 PolarHBondContact O-SG 3.33Å; N280-C284 VanDerWaalsContact O-SG 3.34Å; T281-C284 PolarHBondContact O-N 2.89Å; K282-C284 VanDerWaalsContact C-N 3.34Å; K282-C284 PolarHBondContact O-N 3Å; C284-C286 VanDerWaalsContact C-N 3.3Å; C284-C286 PolarHBondContact O-N 3.5Å; C284-Q287 WeakPolarHBondContact O-CA 3.47Å; C284-Q287 WeakPolarHBondContact O-CB 3.38Å; C284-Q287 PolarHBondContact O-N 3.28Å; C284-M288 PolarHBondContact O-N 3.43Å
285	L	98.6	Very high	96.2	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-61.4	-38.3	174.7	-70.4	170.4	0	0	0	111.9	M264 Y267 I268 T281 K282 Q287 M288 L289 L301 I310 F314	M264-L285 HydrophobicContact CB-CD2 3.8Å; M264-L285 HydrophobicContact CG-CD2 3.75Å; M264-L285 HydrophobicContact SD-CD2 4.19Å; Y267-L285 HydrophobicContact CD1-CD2 3.86Å; Y267-L285 HydrophobicContact CD1-CG 4.05Å; Y267-L285 HydrophobicContact CE1-CG 4.22Å; I268-L285 HydrophobicContact CD1-CD1 3.93Å; I268-L285 HydrophobicContact CD1-CD2 4.22Å; I268-L285 HydrophobicContact CG1-CD1 3.82Å; I268-L285 HydrophobicContact CG1-CD2 4.13Å; T281-L285 HydrophobicContact CG2-CD1 4.06Å; T281-L285 WeakPolarHBondContact O-CG 3.49Å; T281-L285 PolarHBondContact O-N 2.86Å; K282-L285 PolarHBondContact O-N 3.34Å; L285-Q287 VanDerWaalsContact C-N 3.3Å; L285-Q287 PolarHBondContact O-N 3.21Å; L285-M288 HydrophobicContact CD2-SD 4.27Å; L285-M288 WeakPolarHBondContact O-CB 3.35Å; L285-M288 PolarHBondContact O-N 2.96Å; L285-L289 PolarHBondContact O-N 2.91Å; L285-L301 HydrophobicContact CB-CD1 4.26Å; L285-L301 HydrophobicContact CB-CD2 3.53Å; L285-L301 HydrophobicContact CD1-CD1 3.81Å; L285-L301 HydrophobicContact CD1-CD2 4.48Å; L285-I310 HydrophobicContact CD1-CG2 3.7Å; L285-F314 HydrophobicContact CD1-CE2 4.26Å; L285-F314 HydrophobicContact CD1-CZ 4.21Å; L285-F314 HydrophobicContact CD2-CE1 4.35Å; L285-F314 HydrophobicContact CD2-CZ 4.34Å
286	C	98.2	Very high	96.1	Very high	23 Å²	23	57 Å²	57	16%	0.155	28%	0.28	C	S	.	.	H	α-helix	trans	-63.7	-36	172.9	-67.7	0	0	0	0	112.3	K282 Y283 C284 M288 R290 L293	K282-C286 PolarHBondContact O-N 3.46Å; K282-C286 PolarHBondContact O-SG 3.46Å; Y283-C286 PolarHBondContact O-N 2.68Å; C284-C286 VanDerWaalsContact C-N 3.3Å; C284-C286 PolarHBondContact O-N 3.5Å; C286-M288 VanDerWaalsContact C-N 3.29Å; C286-M288 PolarHBondContact O-N 3.49Å; C286-R290 PolarHBondContact O-N 2.86Å; C286-L293 HydrophobicContact CB-CD2 4Å
287	Q	98	Very high	95.8	Very high	50 Å²	50	58.5 Å²	58.5	23%	0.234	29%	0.287	C	S	.	.	H	α-helix	trans	-68.9	-27.2	174.9	-57.6	-43.4	-65.3	0	0	113	M246 Y283 C284 L285 R290	M246-Q287 HydrophobicContact CE-CB 4.26Å; M246-Q287 HydrophobicContact CE-CG 4.43Å; M246-Q287 HydrophobicContact CG-CB 3.7Å; M246-Q287 HydrophobicContact CG-CG 4.14Å; M246-Q287 HydrophobicContact SD-CB 4.02Å; M246-Q287 HydrophobicContact SD-CG 3.9Å; Y283-Q287 HydrophobicContact CD1-CG 4.35Å; Y283-Q287 HydrophobicContact CE1-CG 3.94Å; Y283-Q287 WeakPolarHBondContact O-CG 3.45Å; Y283-Q287 PolarHBondContact O-N 2.87Å; Y283-Q287 VanDerWaalsContact O-N 3.1Å; Y283-Q287 PolarHBondContact O-NE2 2.94Å; C284-Q287 WeakPolarHBondContact O-CA 3.47Å; C284-Q287 WeakPolarHBondContact O-CB 3.38Å; C284-Q287 PolarHBondContact O-N 3.28Å; L285-Q287 VanDerWaalsContact C-N 3.3Å; L285-Q287 PolarHBondContact O-N 3.21Å; Q287-R290 WeakPolarHBondContact O-CG 3.28Å
288	M	98.2	Very high	95.7	Very high	7 Å²	7	53 Å²	53	3%	0.034	26%	0.261	C	S	.	.	H	α-helix	trans	-74.9	-48.3	173.5	-69.5	175.9	-173.2	0	0	110.8	M27 P249 L260 M264 Y267 C284 L285 C286	M27-M288 HydrophobicContact CE-CE 3.41Å; M27-M288 VanDerWaalsContact CE-CE 3.41Å; P249-M288 HydrophobicContact CG-CE 4.41Å; L260-M288 HydrophobicContact CD1-CB 4.11Å; L260-M288 WeakPolarHBondContact CD2-O 3.44Å; M264-M288 HydrophobicContact CG-CB 4.3Å; M264-M288 HydrophobicContact CG-SD 3.74Å; M264-M288 HydrophobicContact SD-CB 4.34Å; Y267-M288 HydrophobicContact CD1-CE 4.48Å; Y267-M288 HydrophobicContact CD2-CE 4.04Å; Y267-M288 HydrophobicContact CG-CE 4Å; C284-M288 PolarHBondContact O-N 3.43Å; L285-M288 HydrophobicContact CD2-SD 4.27Å; L285-M288 WeakPolarHBondContact O-CB 3.35Å; L285-M288 PolarHBondContact O-N 2.96Å; C286-M288 VanDerWaalsContact C-N 3.29Å; C286-M288 PolarHBondContact O-N 3.49Å
289	L	96.3	Very high	95.6	Very high	4 Å²	4	57.3 Å²	57.3	2%	0.021	28%	0.277	C	S	.	.	H	α-helix	trans	-65.3	-42	-177.6	-75.3	169.5	0	0	0	112.9	M264 L285 E291 Q292 L293 L301	M264-L289 HydrophobicContact CE-CD2 3.88Å; M264-L289 HydrophobicContact SD-CD2 3.82Å; M264-L289 HydrophobicContact SD-CG 3.83Å; L285-L289 PolarHBondContact O-N 2.91Å; L289-E291 PolarHBondContact O-N 3.17Å; L289-Q292 HydrophobicContact CB-CB 4.33Å; L289-Q292 HydrophobicContact CD2-CB 3.88Å; L289-Q292 WeakPolarHBondContact O-CA 3.33Å; L289-Q292 WeakPolarHBondContact O-CB 3.28Å; L289-Q292 PolarHBondContact O-N 3.36Å; L289-L293 HydrophobicContact CB-CD2 4.08Å; L289-L293 HydrophobicContact CB-CG 4.18Å; L289-L293 HydrophobicContact CD1-CD2 4.24Å; L289-L301 HydrophobicContact CD1-CD2 3.64Å
290	R	92.8	Very high	95.5	Very high	105 Å²	105	58.7 Å²	58.7	40%	0.396	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	44.9	-102.5	-178.4	-58.2	179.5	61.2	-138.3	-17.2	112.8	W247 C286 Q287 Q292 L293	W247-R290 VanDerWaalsContact CD1-CD 3.46Å; C286-R290 PolarHBondContact O-N 2.86Å; Q287-R290 WeakPolarHBondContact O-CG 3.28Å; R290-Q292 PolarHBondContact O-N 3.37Å; R290-L293 WeakPolarHBondContact O-CB 3.29Å; R290-L293 WeakPolarHBondContact O-CD1 3.39Å; R290-L293 VanDerWaalsContact O-CG 3.23Å; R290-L293 WeakPolarHBondContact O-CG 3.4Å; R290-L293 PolarHBondContact O-N 3.23Å
291	E	88.1	Confident	95.4	Very high	160 Å²	160	57.7 Å²	57.7	75%	0.748	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-68.2	-20.7	-178.8	-66.4	163.6	-157.2	0	0	112.2	L289 L293	L289-E291 PolarHBondContact O-N 3.17Å; E291-L293 VanDerWaalsContact C-N 3.32Å; E291-L293 PolarHBondContact O-N 2.7Å
292	Q	91	Very high	95.3	Very high	106 Å²	106	63.8 Å²	63.8	50%	0.495	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-87.1	7.5	177.4	-56.5	-178.5	-8.6	0	0	113.5	L289 R290 E294 S295	L289-Q292 HydrophobicContact CB-CB 4.33Å; L289-Q292 HydrophobicContact CD2-CB 3.88Å; L289-Q292 WeakPolarHBondContact O-CA 3.33Å; L289-Q292 WeakPolarHBondContact O-CB 3.28Å; L289-Q292 PolarHBondContact O-N 3.36Å; R290-Q292 PolarHBondContact O-N 3.37Å; Q292-E294 PolarHBondContact O-N 2.79Å; Q292-S295 WeakPolarHBondContact O-CB 3.36Å; Q292-S295 PolarHBondContact O-N 2.92Å; Q292-S295 VanDerWaalsContact O-N 3.1Å; Q292-S295 PolarHBondContact O-OG 3.13Å
293	L	91.3	Very high	95.1	Very high	59 Å²	59	65.2 Å²	65.2	31%	0.309	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-62.6	-27.8	177.4	-79.7	170.9	0	0	0	113.3	C286 L289 R290 E291 S295 G298 R299	C286-L293 HydrophobicContact CB-CD2 4Å; L289-L293 HydrophobicContact CB-CD2 4.08Å; L289-L293 HydrophobicContact CB-CG 4.18Å; L289-L293 HydrophobicContact CD1-CD2 4.24Å; R290-L293 WeakPolarHBondContact O-CB 3.29Å; R290-L293 WeakPolarHBondContact O-CD1 3.39Å; R290-L293 VanDerWaalsContact O-CG 3.23Å; R290-L293 WeakPolarHBondContact O-CG 3.4Å; R290-L293 PolarHBondContact O-N 3.23Å; E291-L293 VanDerWaalsContact C-N 3.32Å; E291-L293 PolarHBondContact O-N 2.7Å; L293-S295 VanDerWaalsContact C-N 3.26Å; L293-S295 PolarHBondContact O-N 3.36Å; L293-G298 CarbonylContact O-C 3.54Å; L293-G298 VanDerWaalsContact O-C 3.24Å; L293-G298 VanDerWaalsContact O-CA 3.27Å; L293-G298 WeakPolarHBondContact O-CA 3.22Å; L293-R299 PolarHBondContact O-N 2.84Å
294	E	92.6	Very high	95	Very high	134 Å²	134	61.9 Å²	61.9	63%	0.626	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-79.3	-7.8	176.6	-70.5	-56	137.2	0	0	114	Q292 R299	Q292-E294 PolarHBondContact O-N 2.79Å; E294-R299 PolarHBondContact O-NE 2.94Å; E294-R299 IonicContact OE2-CZ 3.92Å; E294-R299 IonicContact OE2-NE 3.32Å; E294-R299 IonicContact OE2-NH2 2.82Å; E294-R299 PolarHBondContact OE2-NH2 2.82Å
295	S	93.9	Very high	94.9	Very high	36 Å²	36	67.3 Å²	67.3	25%	0.252	33%	0.334	S	S	.	.	S	Bend	trans	-61.4	159.4	174.6	70.8	0	0	0	0	111.4	Q292 L293 Q297 G298 R299	Q292-S295 WeakPolarHBondContact O-CB 3.36Å; Q292-S295 PolarHBondContact O-N 2.92Å; Q292-S295 VanDerWaalsContact O-N 3.1Å; Q292-S295 PolarHBondContact O-OG 3.13Å; L293-S295 VanDerWaalsContact C-N 3.26Å; L293-S295 PolarHBondContact O-N 3.36Å; S295-Q297 PolarHBondContact O-N 2.89Å; S295-G298 PolarHBondContact O-N 2.99Å; S295-G298 PolarHBondContact OG-N 3.31Å; S295-R299 PolarHBondContact O-N 3.22Å
296	P	94	Very high	94.8	Very high	111 Å²	111	68.9 Å²	68.9	72%	0.721	35%	0.345	S	S	*	.	H	α-helix	trans	-51.2	-41.5	174.5	-27.7	35.4	0	0	0	112.7	R299 L300	P296-R299 PolarHBondContact O-N 3.48Å; P296-L300 WeakPolarHBondContact O-CG 3.4Å; P296-L300 PolarHBondContact O-N 3.11Å; P296-L300 VanDerWaalsContact O-N 3.14Å
297	Q	92.8	Very high	94.7	Very high	53 Å²	53	69.2 Å²	69.2	25%	0.248	35%	0.348	C	S	.	.	H	α-helix	trans	-68	-41.6	177.6	-172.3	172	6.8	0	0	112.6	S295 R299 L300 L301 F314	S295-Q297 PolarHBondContact O-N 2.89Å; Q297-R299 VanDerWaalsContact C-N 3.33Å; Q297-R299 PolarHBondContact O-N 3.14Å; Q297-L300 PolarHBondContact O-N 3.41Å; Q297-L301 PolarHBondContact O-N 3.08Å; Q297-F314 HydrophobicContact CG-CE1 4.27Å; Q297-F314 HydrophobicContact CG-CE2 4.28Å; Q297-F314 HydrophobicContact CG-CZ 4.1Å
298	G	94.8	Very high	94.7	Very high	0 Å²	0	71.6 Å²	71.6	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-62.2	-38.4	176	0	0	0	0	0	112.9	L293 S295 L301 H302	L293-G298 CarbonylContact O-C 3.54Å; L293-G298 VanDerWaalsContact O-C 3.24Å; L293-G298 VanDerWaalsContact O-CA 3.27Å; L293-G298 WeakPolarHBondContact O-CA 3.22Å; S295-G298 PolarHBondContact O-N 2.99Å; S295-G298 PolarHBondContact OG-N 3.31Å; G298-L301 PolarHBondContact O-N 3.11Å; G298-H302 WeakPolarHBondContact O-CB 3.38Å; G298-H302 PolarHBondContact O-N 2.97Å
299	R	95.6	Very high	94.6	Very high	155 Å²	155	74.7 Å²	74.7	59%	0.585	37%	0.369	S	S	*	.	H	α-helix	trans	-66.2	-42.2	174.5	-67.5	179.2	-177.4	-150.2	-8.4	112.6	L293 E294 S295 P296 Q297 H302 A303	L293-R299 PolarHBondContact O-N 2.84Å; E294-R299 PolarHBondContact O-NE 2.94Å; E294-R299 IonicContact OE2-CZ 3.92Å; E294-R299 IonicContact OE2-NE 3.32Å; E294-R299 IonicContact OE2-NH2 2.82Å; E294-R299 PolarHBondContact OE2-NH2 2.82Å; S295-R299 PolarHBondContact O-N 3.22Å; P296-R299 PolarHBondContact O-N 3.48Å; Q297-R299 VanDerWaalsContact C-N 3.33Å; Q297-R299 PolarHBondContact O-N 3.14Å; R299-H302 PolarHBondContact O-N 3.13Å; R299-A303 PolarHBondContact O-N 3.37Å
300	L	96.8	Very high	94.8	Very high	98 Å²	98	74.6 Å²	74.6	51%	0.513	37%	0.369	S	S	.	.	H	α-helix	trans	-61.8	-45.6	174.6	-69.8	172	0	0	0	111.3	P296 Q297 H302 A303 A304 A313	P296-L300 WeakPolarHBondContact O-CG 3.4Å; P296-L300 PolarHBondContact O-N 3.11Å; P296-L300 VanDerWaalsContact O-N 3.14Å; Q297-L300 PolarHBondContact O-N 3.41Å; L300-H302 VanDerWaalsContact C-N 3.32Å; L300-H302 PolarHBondContact O-N 3.34Å; L300-A303 PolarHBondContact O-N 3Å; L300-A304 PolarHBondContact O-N 2.9Å; L300-A313 HydrophobicContact CB-CB 3.63Å
301	L	96.8	Very high	95	Very high	0 Å²	0	69.7 Å²	69.7	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-58.9	-43.6	174.4	177.2	65.1	0	0	0	111.8	K282 L285 L289 Q297 G298 A303 A304 I310 F314	K282-L301 HydrophobicContact CB-CD1 4.41Å; K282-L301 WeakPolarHBondContact CE-O 3.42Å; K282-L301 HydrophobicContact CG-CD1 4.08Å; K282-L301 HydrophobicContact CG-CG 4.29Å; K282-L301 PolarHBondContact NZ-O 3.31Å; L285-L301 HydrophobicContact CB-CD1 4.26Å; L285-L301 HydrophobicContact CB-CD2 3.53Å; L285-L301 HydrophobicContact CD1-CD1 3.81Å; L285-L301 HydrophobicContact CD1-CD2 4.48Å; L289-L301 HydrophobicContact CD1-CD2 3.64Å; Q297-L301 PolarHBondContact O-N 3.08Å; G298-L301 PolarHBondContact O-N 3.11Å; L301-A303 VanDerWaalsContact C-N 3.29Å; L301-A303 PolarHBondContact O-N 3.04Å; L301-A304 WeakPolarHBondContact O-CB 3.24Å; L301-A304 PolarHBondContact O-N 3.19Å; L301-I310 HydrophobicContact CD1-CG1 4.11Å; L301-I310 HydrophobicContact CD1-CG2 4.18Å; L301-F314 HydrophobicContact CB-CE2 4.16Å; L301-F314 HydrophobicContact CD1-CE2 4.06Å; L301-F314 HydrophobicContact CD2-CZ 4.35Å; L301-F314 HydrophobicContact CG-CE2 4.46Å
302	H	94.7	Very high	95.5	Very high	133 Å²	133	67.2 Å²	67.2	62%	0.616	34%	0.339	S	S	*	.	H	α-helix	trans	-64	-34.3	178.3	-174.1	-90.7	0	0	0	112.2	K282 G298 R299 L300	K282-H302 WeakPolarHBondContact CE-O 3.46Å; K282-H302 PolarHBondContact NZ-O 2.92Å; G298-H302 WeakPolarHBondContact O-CB 3.38Å; G298-H302 PolarHBondContact O-N 2.97Å; R299-H302 PolarHBondContact O-N 3.13Å; L300-H302 VanDerWaalsContact C-N 3.32Å; L300-H302 PolarHBondContact O-N 3.34Å
303	A	95.8	Very high	95.8	Very high	63 Å²	63	62.9 Å²	62.9	52%	0.521	32%	0.322	S	S	.	.	H	α-helix	trans	-72.7	-32	175.7	0	0	0	0	0	113.1	R299 L300 L301 Q305	R299-A303 PolarHBondContact O-N 3.37Å; L300-A303 PolarHBondContact O-N 3Å; L301-A303 VanDerWaalsContact C-N 3.29Å; L301-A303 PolarHBondContact O-N 3.04Å; A303-Q305 PolarHBondContact O-N 3.04Å; A303-Q305 PolarHBondContact O-NE2 3.39Å
304	A	96.8	Very high	96.1	Very high	2 Å²	2	60.6 Å²	60.6	2%	0.017	31%	0.309	C	S	.	.			trans	-57	131.7	-172.4	0	0	0	0	0	114.4	K282 L300 L301 E309 I310	K282-A304 PolarHBondContact NZ-O 3.29Å; L300-A304 PolarHBondContact O-N 2.9Å; L301-A304 WeakPolarHBondContact O-CB 3.24Å; L301-A304 PolarHBondContact O-N 3.19Å; A304-E309 WeakPolarHBondContact CA-OE2 3.48Å; A304-E309 HydrophobicContact CB-CB 3.72Å; A304-I310 HydrophobicContact CB-CG1 3.75Å
305	Q	95.4	Very high	96.3	Very high	114 Å²	114	57.6 Å²	57.6	53%	0.533	31%	0.314	S	S	.	.			trans	-117	4.7	179.8	-57.7	-55	-46.5	0	0	113.5	Y278 A303 E309	Y278-Q305 VanDerWaalsContact CE2-C 3.45Å; Y278-Q305 VanDerWaalsContact CE2-O 3.29Å; Y278-Q305 WeakPolarHBondContact CE2-O 3.5Å; Y278-Q305 VanDerWaalsContact CZ-O 3.23Å; A303-Q305 PolarHBondContact O-N 3.04Å; A303-Q305 PolarHBondContact O-NE2 3.39Å; Q305-E309 PolarHBondContact N-OE2 3.28Å
306	S	96.5	Very high	96.5	Very high	33 Å²	33	56.3 Å²	56.3	23%	0.231	30%	0.304	C	S	.	.	S	Bend	trans	-148.6	160.7	179.4	66.3	0	0	0	0	111.6	R308 E309 I310	S306-R308 PolarHBondContact O-N 2.91Å; S306-E309 PolarHBondContact O-N 3.07Å; S306-E309 VanDerWaalsContact OG-CD 3.27Å; S306-E309 WeakPolarHBondContact OG-CG 3.16Å; S306-E309 PolarHBondContact OG-N 3.24Å; S306-E309 PolarHBondContact OG-OE1 3.5Å; S306-I310 WeakPolarHBondContact O-CG1 3.42Å; S306-I310 PolarHBondContact O-N 2.96Å; S306-I310 VanDerWaalsContact O-N 3.12Å
307	S	96.4	Very high	96.7	Very high	30 Å²	30	52 Å²	52	21%	0.21	28%	0.28	C	S	.	.	H	α-helix	trans	-61.8	-32.2	173.9	-62.8	0	0	0	0	112	Y278 I310 C311	Y278-S307 WeakPolarHBondContact CB-OG 3.4Å; S307-I310 PolarHBondContact O-N 3.08Å; S307-C311 PolarHBondContact O-N 3.11Å; S307-C311 PolarHBondContact O-SG 2.82Å
308	R	97.8	Very high	96.9	Very high	100 Å²	100	53.4 Å²	53.4	38%	0.377	30%	0.301	S	S	.	.	H	α-helix	trans	-60.4	-53.7	174.4	-179.2	-175.1	-71.3	-119.1	-13.5	111.4	S306 I310 C311 E312 Y320 E321	S306-R308 PolarHBondContact O-N 2.91Å; R308-I310 VanDerWaalsContact C-N 3.28Å; R308-I310 PolarHBondContact O-N 2.82Å; R308-C311 WeakPolarHBondContact O-CA 3.41Å; R308-C311 WeakPolarHBondContact O-CB 3.49Å; R308-C311 PolarHBondContact O-N 3.42Å; R308-E312 WeakPolarHBondContact CG-OE1 3.34Å; R308-E312 WeakPolarHBondContact O-CG 3.33Å; R308-E312 PolarHBondContact O-N 3.03Å; R308-Y320 HydrophobicContact CB-CD1 4.04Å; R308-Y320 HydrophobicContact CB-CE1 3.65Å; R308-Y320 HydrophobicContact CB-CE2 4.34Å; R308-Y320 HydrophobicContact CG-CD1 4.04Å; R308-Y320 HydrophobicContact CG-CE1 3.97Å; R308-E321 IonicContact CZ-OE1 3.46Å; R308-E321 IonicContact CZ-OE2 2.69Å; R308-E321 IonicContact NE-OE1 2.71Å; R308-E321 IonicContact NH1-OE1 2.79Å; R308-E321 PolarHBondContact NH1-OE1 2.9Å; R308-E321 VanDerWaalsContact NH2-CD 3.28Å; R308-E321 IonicContact NH2-OE1 3.46Å; R308-E321 PolarHBondContact NH2-OE1 2.84Å; R308-E321 IonicContact NH2-OE2 2.64Å; R308-E321 PolarHBondContact NH2-OE2 3Å
309	E	97.6	Very high	97.1	Very high	73 Å²	73	55.2 Å²	55.2	34%	0.341	31%	0.309	S	S	.	.	H	α-helix	trans	-62.1	-35.2	179.2	-73.3	158.3	-124.7	0	0	112.2	A304 Q305 S306 C311 E312 A313	A304-E309 WeakPolarHBondContact CA-OE2 3.48Å; A304-E309 HydrophobicContact CB-CB 3.72Å; Q305-E309 PolarHBondContact N-OE2 3.28Å; S306-E309 PolarHBondContact O-N 3.07Å; S306-E309 VanDerWaalsContact OG-CD 3.27Å; S306-E309 WeakPolarHBondContact OG-CG 3.16Å; S306-E309 PolarHBondContact OG-N 3.24Å; S306-E309 PolarHBondContact OG-OE1 3.5Å; E309-C311 VanDerWaalsContact C-N 3.35Å; E309-E312 PolarHBondContact O-N 3.05Å; E309-A313 WeakPolarHBondContact O-CB 3.34Å; E309-A313 PolarHBondContact O-N 3.21Å
310	I	98.5	Very high	97.2	Very high	2 Å²	2	49.9 Å²	49.9	1%	0.01	29%	0.289	C	S	.	.	H	α-helix	trans	-62	-44	171.4	-65.6	172.5	0	0	0	110.4	I268 Y278 T281 K282 L285 L301 A304 S306 S307 R308 A313 F314	I268-I310 HydrophobicContact CD1-CG2 4.28Å; I268-I310 HydrophobicContact CG1-CG2 4.33Å; Y278-I310 WeakPolarHBondContact O-CD1 3.39Å; T281-I310 HydrophobicContact CG2-CD1 4.35Å; T281-I310 HydrophobicContact CG2-CG2 4.35Å; K282-I310 HydrophobicContact CB-CD1 4.03Å; L285-I310 HydrophobicContact CD1-CG2 3.7Å; L301-I310 HydrophobicContact CD1-CG1 4.11Å; L301-I310 HydrophobicContact CD1-CG2 4.18Å; A304-I310 HydrophobicContact CB-CG1 3.75Å; S306-I310 WeakPolarHBondContact O-CG1 3.42Å; S306-I310 PolarHBondContact O-N 2.96Å; S306-I310 VanDerWaalsContact O-N 3.12Å; S307-I310 PolarHBondContact O-N 3.08Å; R308-I310 VanDerWaalsContact C-N 3.28Å; R308-I310 PolarHBondContact O-N 2.82Å; I310-A313 PolarHBondContact O-N 2.98Å; I310-F314 WeakPolarHBondContact O-CD2 3.43Å; I310-F314 PolarHBondContact O-N 3.44Å
311	C	98.5	Very high	97.2	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.007	28%	0.279	C	S	.	.	H	α-helix	trans	-65.5	-42.7	178.5	-66.2	0	0	0	0	111.6	I268 V272 S307 R308 E309 A313 F314 G315 L316 Y320	I268-C311 VanDerWaalsContact CG2-SG 3.6Å; V272-C311 VanDerWaalsContact CG2-SG 3.52Å; S307-C311 PolarHBondContact O-N 3.11Å; S307-C311 PolarHBondContact O-SG 2.82Å; R308-C311 WeakPolarHBondContact O-CA 3.41Å; R308-C311 WeakPolarHBondContact O-CB 3.49Å; R308-C311 PolarHBondContact O-N 3.42Å; E309-C311 VanDerWaalsContact C-N 3.35Å; C311-A313 VanDerWaalsContact C-N 3.34Å; C311-A313 PolarHBondContact O-N 2.78Å; C311-F314 CarbonylContact O-C 3.52Å; C311-F314 PolarHBondContact O-N 3.37Å; C311-F314 VanDerWaalsContact O-N 3.07Å; C311-G315 PolarHBondContact O-N 2.92Å; C311-G315 VanDerWaalsContact O-N 3.13Å; C311-L316 HydrophobicContact CB-CB 3.95Å; C311-L316 WeakPolarHBondContact O-CA 3.41Å; C311-L316 PolarHBondContact O-N 2.78Å; C311-Y320 HydrophobicContact CB-CD2 4.46Å; C311-Y320 HydrophobicContact CB-CG 4.36Å
312	E	97.5	Very high	97.3	Very high	108 Å²	108	53.9 Å²	53.9	51%	0.505	31%	0.305	S	S	.	.	H	α-helix	trans	-58.6	-43.9	176.1	-71.3	169.1	-177.8	0	0	111.9	R308 E309 F314 G315	R308-E312 WeakPolarHBondContact CG-OE1 3.34Å; R308-E312 WeakPolarHBondContact O-CG 3.33Å; R308-E312 PolarHBondContact O-N 3.03Å; E309-E312 PolarHBondContact O-N 3.05Å; E312-F314 PolarHBondContact O-N 3.03Å; E312-G315 PolarHBondContact O-N 2.95Å; E312-G315 VanDerWaalsContact O-N 3.12Å
313	A	97.1	Very high	97.4	Very high	16 Å²	16	48 Å²	48	13%	0.132	28%	0.279	C	S	.	.	H	α-helix	trans	-59.9	-18.6	176.8	0	0	0	0	0	114	L300 E309 I310 C311	L300-A313 HydrophobicContact CB-CB 3.63Å; E309-A313 WeakPolarHBondContact O-CB 3.34Å; E309-A313 PolarHBondContact O-N 3.21Å; I310-A313 PolarHBondContact O-N 2.98Å; C311-A313 VanDerWaalsContact C-N 3.34Å; C311-A313 PolarHBondContact O-N 2.78Å
314	F	97.3	Very high	97.1	Very high	11 Å²	11	46.4 Å²	46.4	5%	0.048	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.5	14	-178.4	-72.4	-108.9	0	0	0	112.6	M264 I268 L285 Q297 L301 I310 C311 E312 L316	M264-F314 HydrophobicContact CB-CD1 4.18Å; M264-F314 HydrophobicContact CB-CE1 3.8Å; M264-F314 HydrophobicContact CE-CE1 3.81Å; M264-F314 HydrophobicContact CG-CE1 4.31Å; M264-F314 HydrophobicContact SD-CE1 3.68Å; M264-F314 HydrophobicContact SD-CZ 4.21Å; I268-F314 HydrophobicContact CD1-CB 3.65Å; I268-F314 HydrophobicContact CD1-CD1 3.45Å; I268-F314 VanDerWaalsContact CD1-CD1 3.45Å; I268-F314 HydrophobicContact CD1-CD2 3.72Å; I268-F314 HydrophobicContact CD1-CE1 4.01Å; I268-F314 HydrophobicContact CD1-CE2 4.23Å; I268-F314 HydrophobicContact CD1-CG 3.31Å; I268-F314 HydrophobicContact CD1-CZ 4.37Å; L285-F314 HydrophobicContact CD1-CE2 4.26Å; L285-F314 HydrophobicContact CD1-CZ 4.21Å; L285-F314 HydrophobicContact CD2-CE1 4.35Å; L285-F314 HydrophobicContact CD2-CZ 4.34Å; Q297-F314 HydrophobicContact CG-CE1 4.27Å; Q297-F314 HydrophobicContact CG-CE2 4.28Å; Q297-F314 HydrophobicContact CG-CZ 4.1Å; L301-F314 HydrophobicContact CB-CE2 4.16Å; L301-F314 HydrophobicContact CD1-CE2 4.06Å; L301-F314 HydrophobicContact CD2-CZ 4.35Å; L301-F314 HydrophobicContact CG-CE2 4.46Å; I310-F314 WeakPolarHBondContact O-CD2 3.43Å; I310-F314 PolarHBondContact O-N 3.44Å; C311-F314 CarbonylContact O-C 3.52Å; C311-F314 PolarHBondContact O-N 3.37Å; C311-F314 VanDerWaalsContact O-N 3.07Å; E312-F314 PolarHBondContact O-N 3.03Å; F314-L316 VanDerWaalsContact C-N 3.28Å; F314-L316 HydrophobicContact CB-CD1 4.45Å; F314-L316 PolarHBondContact O-N 3.38Å
315	G	97.4	Very high	97	Very high	71 Å²	71	52.4 Å²	52.4	73%	0.732	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.8	22.4	179.1	0	0	0	0	0	114.6	C311 E312	C311-G315 PolarHBondContact O-N 2.92Å; C311-G315 VanDerWaalsContact O-N 3.13Å; E312-G315 PolarHBondContact O-N 2.95Å; E312-G315 VanDerWaalsContact O-N 3.12Å
316	L	98.4	Very high	97	Very high	8 Å²	8	52 Å²	52	4%	0.042	29%	0.288	C	S	.	.			trans	-107.8	18	-177.7	-65.4	175.2	0	0	0	113.3	Q265 I268 C311 F314 A318 F319 Y320	Q265-L316 HydrophobicContact CB-CD1 4.19Å; Q265-L316 HydrophobicContact CG-CD1 4.29Å; I268-L316 HydrophobicContact CB-CD1 3.8Å; I268-L316 HydrophobicContact CD1-CD1 4.26Å; I268-L316 HydrophobicContact CG2-CD1 3.61Å; C311-L316 HydrophobicContact CB-CB 3.95Å; C311-L316 WeakPolarHBondContact O-CA 3.41Å; C311-L316 PolarHBondContact O-N 2.78Å; F314-L316 VanDerWaalsContact C-N 3.28Å; F314-L316 HydrophobicContact CB-CD1 4.45Å; F314-L316 PolarHBondContact O-N 3.38Å; L316-A318 PolarHBondContact O-N 3Å; L316-F319 PolarHBondContact O-N 3.08Å; L316-Y320 PolarHBondContact O-N 3.06Å
317	G	97.7	Very high	96.6	Very high	20 Å²	20	51.3 Å²	51.3	21%	0.206	28%	0.282	C	S	.	.	H	α-helix	trans	-58.3	-45.6	-179	0	0	0	0	0	113.5	F319 Y320 E321	G317-F319 PolarHBondContact O-N 3.15Å; G317-Y320 WeakPolarHBondContact O-CB 3.26Å; G317-Y320 PolarHBondContact O-N 3.15Å; G317-E321 PolarHBondContact O-N 3.39Å; G317-E321 VanDerWaalsContact O-N 3.12Å
318	A	98.1	Very high	96.1	Very high	84 Å²	84	53.6 Å²	53.6	69%	0.694	29%	0.292	S	S	*	.	H	α-helix	trans	-61.7	-44.6	177.6	0	0	0	0	0	112.2	L316 Y320 E321 E322	L316-A318 PolarHBondContact O-N 3Å; A318-Y320 VanDerWaalsContact C-N 3.3Å; A318-Y320 PolarHBondContact O-N 3.43Å; A318-E321 PolarHBondContact O-N 3.3Å; A318-E322 PolarHBondContact O-N 3.48Å
319	F	98.5	Very high	95.8	Very high	38 Å²	38	51.7 Å²	51.7	17%	0.167	30%	0.298	C	S	.	.	H	α-helix	trans	-60.2	-39.7	175.5	166.2	-94.4	0	0	0	112.1	R269 V272 Q273 L316 G317 T323	R269-F319 HydrophobicContact CB-CE1 3.99Å; R269-F319 HydrophobicContact CB-CE2 4.42Å; R269-F319 HydrophobicContact CB-CZ 3.72Å; R269-F319 HydrophobicContact CG-CD1 4.12Å; R269-F319 HydrophobicContact CG-CD2 4.44Å; R269-F319 HydrophobicContact CG-CE1 3.69Å; R269-F319 HydrophobicContact CG-CE2 4.02Å; R269-F319 HydrophobicContact CG-CG 4.48Å; R269-F319 HydrophobicContact CG-CZ 3.62Å; V272-F319 HydrophobicContact CB-CE1 3.94Å; V272-F319 HydrophobicContact CG1-CE1 4.18Å; V272-F319 HydrophobicContact CG2-CE1 4.25Å; Q273-F319 HydrophobicContact CG-CZ 4.15Å; L316-F319 PolarHBondContact O-N 3.08Å; G317-F319 PolarHBondContact O-N 3.15Å; F319-T323 VanDerWaalsContact CE2-OG1 3.28Å; F319-T323 WeakPolarHBondContact CE2-OG1 3.37Å; F319-T323 WeakPolarHBondContact CZ-OG1 3.42Å; F319-T323 WeakPolarHBondContact O-CB 3.45Å; F319-T323 PolarHBondContact O-N 2.81Å; F319-T323 PolarHBondContact O-OG1 3.33Å
320	Y	98.1	Very high	95.3	Very high	42 Å²	42	52.1 Å²	52.1	17%	0.165	30%	0.3	C	S	.	.	H	α-helix	trans	-62.1	-46	177.2	175.8	-89.5	0	0	0	111.8	V272 R308 C311 L316 G317 A318 T324	V272-Y320 HydrophobicContact CG1-CD2 4.01Å; V272-Y320 HydrophobicContact CG2-CD2 4.02Å; R308-Y320 HydrophobicContact CB-CD1 4.04Å; R308-Y320 HydrophobicContact CB-CE1 3.65Å; R308-Y320 HydrophobicContact CB-CE2 4.34Å; R308-Y320 HydrophobicContact CG-CD1 4.04Å; R308-Y320 HydrophobicContact CG-CE1 3.97Å; C311-Y320 HydrophobicContact CB-CD2 4.46Å; C311-Y320 HydrophobicContact CB-CG 4.36Å; L316-Y320 PolarHBondContact O-N 3.06Å; G317-Y320 WeakPolarHBondContact O-CB 3.26Å; G317-Y320 PolarHBondContact O-N 3.15Å; A318-Y320 VanDerWaalsContact C-N 3.3Å; A318-Y320 PolarHBondContact O-N 3.43Å; Y320-T324 VanDerWaalsContact O-CB 3.28Å; Y320-T324 WeakPolarHBondContact O-CB 3.45Å; Y320-T324 PolarHBondContact O-N 3.04Å; Y320-T324 PolarHBondContact O-OG1 2.91Å
321	E	96.9	Very high	94.6	Very high	65 Å²	65	56.1 Å²	56.1	30%	0.304	32%	0.315	S	S	.	.	H	α-helix	trans	-64.6	-47.6	179.9	-65.6	-69.5	-171.9	0	0	111.6	R308 G317 A318 T324 Q325	R308-E321 IonicContact CZ-OE1 3.46Å; R308-E321 IonicContact CZ-OE2 2.69Å; R308-E321 IonicContact NE-OE1 2.71Å; R308-E321 IonicContact NH1-OE1 2.79Å; R308-E321 PolarHBondContact NH1-OE1 2.9Å; R308-E321 VanDerWaalsContact NH2-CD 3.28Å; R308-E321 IonicContact NH2-OE1 3.46Å; R308-E321 PolarHBondContact NH2-OE1 2.84Å; R308-E321 IonicContact NH2-OE2 2.64Å; R308-E321 PolarHBondContact NH2-OE2 3Å; G317-E321 PolarHBondContact O-N 3.39Å; G317-E321 VanDerWaalsContact O-N 3.12Å; A318-E321 PolarHBondContact O-N 3.3Å; E321-T324 PolarHBondContact O-N 3.48Å; E321-Q325 WeakPolarHBondContact O-CB 3.48Å; E321-Q325 WeakPolarHBondContact O-CG 3.47Å; E321-Q325 PolarHBondContact O-N 2.92Å
322	E	98.1	Very high	93.8	Very high	117 Å²	117	59 Å²	59	55%	0.547	34%	0.339	S	S	.	.	H	α-helix	trans	-57.9	-52.6	177.4	-176.8	177.1	-162.5	0	0	111.2	A318 T324 Q325 E326	A318-E322 PolarHBondContact O-N 3.48Å; E322-T324 PolarHBondContact O-N 3.35Å; E322-Q325 PolarHBondContact O-N 2.6Å; E322-E326 WeakPolarHBondContact O-CG 3.45Å; E322-E326 PolarHBondContact O-N 3.07Å
323	T	96.7	Very high	93.3	Very high	10 Å²	10	61.2 Å²	61.2	6%	0.061	35%	0.346	C	S	.	.	H	α-helix	trans	-62.8	-41.6	-178.7	-52.8	0	0	0	0	111.6	V272 Q273 F319 E326 L327	V272-T323 HydrophobicContact CG1-CG2 3.87Å; Q273-T323 HydrophobicContact CG-CG2 4.04Å; F319-T323 VanDerWaalsContact CE2-OG1 3.28Å; F319-T323 WeakPolarHBondContact CE2-OG1 3.37Å; F319-T323 WeakPolarHBondContact CZ-OG1 3.42Å; F319-T323 WeakPolarHBondContact O-CB 3.45Å; F319-T323 PolarHBondContact O-N 2.81Å; F319-T323 PolarHBondContact O-OG1 3.33Å; T323-E326 PolarHBondContact O-N 3.19Å; T323-L327 HydrophobicContact CG2-CD1 4.35Å; T323-L327 VanDerWaalsContact O-CG 3.31Å; T323-L327 WeakPolarHBondContact O-CG 3.33Å; T323-L327 PolarHBondContact O-N 2.86Å
324	T	90.2	Very high	92.4	Very high	30 Å²	30	62.2 Å²	62.2	18%	0.184	35%	0.349	C	S	.	.	H	α-helix	trans	-67.2	-39.9	-179.2	-54.3	0	0	0	0	111.1	Y320 E321 E322 L327 D328	Y320-T324 VanDerWaalsContact O-CB 3.28Å; Y320-T324 WeakPolarHBondContact O-CB 3.45Å; Y320-T324 PolarHBondContact O-N 3.04Å; Y320-T324 PolarHBondContact O-OG1 2.91Å; E321-T324 PolarHBondContact O-N 3.48Å; E322-T324 PolarHBondContact O-N 3.35Å; T324-L327 PolarHBondContact O-N 2.91Å; T324-D328 WeakPolarHBondContact O-CB 3.43Å; T324-D328 PolarHBondContact O-N 2.91Å
325	Q	93.6	Very high	91.2	Very high	127 Å²	127	65.2 Å²	65.2	59%	0.593	37%	0.372	S	S	*	.	H	α-helix	trans	-62.4	-41.9	175.3	-73.4	172.4	20.6	0	0	111.9	E321 E322 D328 A329	E321-Q325 WeakPolarHBondContact O-CB 3.48Å; E321-Q325 WeakPolarHBondContact O-CG 3.47Å; E321-Q325 PolarHBondContact O-N 2.92Å; E322-Q325 PolarHBondContact O-N 2.6Å; Q325-D328 PolarHBondContact O-N 3.48Å; Q325-A329 WeakPolarHBondContact O-CB 3.37Å; Q325-A329 PolarHBondContact O-N 2.91Å
326	E	95.6	Very high	89.8	Confident	106 Å²	106	64.3 Å²	64.3	50%	0.495	36%	0.357	S	S	.	.	H	α-helix	trans	-61.2	-46.6	175.1	-72	-179.3	169.6	0	0	112	E322 T323 D328 A329 Q330	E322-E326 WeakPolarHBondContact O-CG 3.45Å; E322-E326 PolarHBondContact O-N 3.07Å; T323-E326 PolarHBondContact O-N 3.19Å; E326-D328 VanDerWaalsContact C-N 3.33Å; E326-D328 PolarHBondContact O-N 3.32Å; E326-A329 PolarHBondContact O-N 2.75Å; E326-Q330 VanDerWaalsContact O-CG 3.3Å; E326-Q330 WeakPolarHBondContact O-CG 3.28Å; E326-Q330 PolarHBondContact O-N 3.17Å
327	L	89.3	Confident	88.2	Confident	19 Å²	19	71.2 Å²	71.2	10%	0.099	38%	0.383	C	S	.	.	H	α-helix	trans	-63.5	-39.2	178	-67.2	179.9	0	0	0	112	V59 L60 T323 T324 Q330 R331	V59-L327 HydrophobicContact CG1-CB 4.36Å; V59-L327 HydrophobicContact CG1-CD2 4.07Å; L60-L327 HydrophobicContact CD2-CD1 4.01Å; L60-L327 HydrophobicContact CD2-CD2 3.83Å; T323-L327 HydrophobicContact CG2-CD1 4.35Å; T323-L327 VanDerWaalsContact O-CG 3.31Å; T323-L327 WeakPolarHBondContact O-CG 3.33Å; T323-L327 PolarHBondContact O-N 2.86Å; T324-L327 PolarHBondContact O-N 2.91Å; L327-Q330 PolarHBondContact O-N 2.94Å; L327-R331 VanDerWaalsContact O-CG 3.3Å; L327-R331 WeakPolarHBondContact O-CG 3.23Å; L327-R331 PolarHBondContact O-N 2.87Å
328	D	85.5	Confident	86	Confident	77 Å²	77	73.8 Å²	73.8	41%	0.412	40%	0.395	S	S	.	.	H	α-helix	trans	-69.4	-38.3	176.7	-73.5	-22	0	0	0	112.1	T324 Q325 E326 Q330 R331 A332	T324-D328 WeakPolarHBondContact O-CB 3.43Å; T324-D328 PolarHBondContact O-N 2.91Å; Q325-D328 PolarHBondContact O-N 3.48Å; E326-D328 VanDerWaalsContact C-N 3.33Å; E326-D328 PolarHBondContact O-N 3.32Å; D328-Q330 VanDerWaalsContact C-N 3.34Å; D328-Q330 PolarHBondContact O-N 3.03Å; D328-R331 WeakPolarHBondContact O-CB 3.38Å; D328-R331 PolarHBondContact O-N 3.05Å; D328-R331 IonicContact OD1-CZ 3.68Å; D328-R331 IonicContact OD1-NH1 3.75Å; D328-R331 PolarHBondContact OD1-NH1 2.71Å; D328-A332 WeakPolarHBondContact O-CB 3.28Å; D328-A332 PolarHBondContact O-N 2.98Å
329	A	90.6	Very high	83.6	Confident	61 Å²	61	73.3 Å²	73.3	50%	0.504	39%	0.386	S	S	.	.	H	α-helix	trans	-63.2	-40.5	172.6	0	0	0	0	0	111.8	Q325 E326 A332 K333	Q325-A329 WeakPolarHBondContact O-CB 3.37Å; Q325-A329 PolarHBondContact O-N 2.91Å; E326-A329 PolarHBondContact O-N 2.75Å; A329-A332 PolarHBondContact O-N 2.87Å; A329-K333 WeakPolarHBondContact O-CB 3.49Å; A329-K333 PolarHBondContact O-N 2.89Å
330	Q	87.1	Confident	80.9	Confident	82 Å²	82	80 Å²	80	38%	0.383	42%	0.418	S	S	.	.	H	α-helix	trans	-64.5	-43.3	174.4	-71.9	175.6	8.3	0	0	112	V59 E326 L327 D328 A332 K333 L334	V59-Q330 HydrophobicContact CG1-CB 4.46Å; V59-Q330 PolarHBondContact O-OE1 2.98Å; E326-Q330 VanDerWaalsContact O-CG 3.3Å; E326-Q330 WeakPolarHBondContact O-CG 3.28Å; E326-Q330 PolarHBondContact O-N 3.17Å; L327-Q330 PolarHBondContact O-N 2.94Å; D328-Q330 VanDerWaalsContact C-N 3.34Å; D328-Q330 PolarHBondContact O-N 3.03Å; Q330-A332 VanDerWaalsContact C-N 3.34Å; Q330-A332 PolarHBondContact O-N 3.48Å; Q330-K333 PolarHBondContact O-N 3.28Å; Q330-L334 WeakPolarHBondContact O-CG 3.17Å; Q330-L334 PolarHBondContact O-N 3.34Å
331	R	85.4	Confident	78.1	Confident	86 Å²	86	86 Å²	86	33%	0.325	45%	0.447	S	S	.	.	H	α-helix	trans	-58.5	-44.4	173.3	-74.5	166.8	-176	156.9	0.8	112	V59 L327 D328 L334 S335	V59-R331 HydrophobicContact CB-CG 4.31Å; V59-R331 HydrophobicContact CG1-CG 3.78Å; V59-R331 HydrophobicContact CG2-CB 4.39Å; V59-R331 HydrophobicContact CG2-CG 3.54Å; L327-R331 VanDerWaalsContact O-CG 3.3Å; L327-R331 WeakPolarHBondContact O-CG 3.23Å; L327-R331 PolarHBondContact O-N 2.87Å; D328-R331 WeakPolarHBondContact O-CB 3.38Å; D328-R331 PolarHBondContact O-N 3.05Å; D328-R331 IonicContact OD1-CZ 3.68Å; D328-R331 IonicContact OD1-NH1 3.75Å; D328-R331 PolarHBondContact OD1-NH1 2.71Å; R331-L334 PolarHBondContact O-N 2.79Å; R331-S335 WeakPolarHBondContact O-CB 3.48Å; R331-S335 PolarHBondContact O-N 2.96Å; R331-S335 PolarHBondContact O-OG 2.81Å
332	A	81.5	Confident	75.5	Confident	62 Å²	62	86.1 Å²	86.1	51%	0.512	45%	0.453	S	S	.	.	H	α-helix	trans	-63	-45.6	177.5	0	0	0	0	0	111.4	D328 A329 Q330 L334 S335 A336	D328-A332 WeakPolarHBondContact O-CB 3.28Å; D328-A332 PolarHBondContact O-N 2.98Å; A329-A332 PolarHBondContact O-N 2.87Å; Q330-A332 VanDerWaalsContact C-N 3.34Å; Q330-A332 PolarHBondContact O-N 3.48Å; A332-L334 PolarHBondContact O-N 2.87Å; A332-S335 PolarHBondContact O-N 3.24Å; A332-A336 WeakPolarHBondContact O-CB 3.37Å; A332-A336 PolarHBondContact O-N 2.84Å
333	K	85.4	Confident	73	Confident	153 Å²	153	83.3 Å²	83.3	67%	0.665	46%	0.455	S	S	*	.	H	α-helix	trans	-60.8	-42.9	177.4	-173.5	179.6	-178.7	-179.2	0	112.4	A329 Q330 R337	A329-K333 WeakPolarHBondContact O-CB 3.49Å; A329-K333 PolarHBondContact O-N 2.89Å; Q330-K333 PolarHBondContact O-N 3.28Å; K333-R337 WeakPolarHBondContact O-CG 3.3Å; K333-R337 PolarHBondContact O-N 3.17Å
334	L	78.3	Confident	70.9	Confident	38 Å²	38	91.2 Å²	91.2	20%	0.199	49%	0.491	C	S	.	.	H	α-helix	trans	-68.6	-41.7	178	-74.5	162.9	0	0	0	111.7	E58 V59 Q330 R331 A332 A336 R337 T338	E58-L334 HydrophobicContact CB-CD1 3.73Å; E58-L334 HydrophobicContact CB-CD2 4.11Å; E58-L334 WeakPolarHBondContact OE2-CD2 3.45Å; V59-L334 HydrophobicContact CB-CD1 4.5Å; V59-L334 HydrophobicContact CG2-CD1 3.52Å; Q330-L334 WeakPolarHBondContact O-CG 3.17Å; Q330-L334 PolarHBondContact O-N 3.34Å; R331-L334 PolarHBondContact O-N 2.79Å; A332-L334 PolarHBondContact O-N 2.87Å; L334-A336 VanDerWaalsContact C-N 3.3Å; L334-A336 PolarHBondContact O-N 2.87Å; L334-R337 PolarHBondContact O-N 2.78Å; L334-T338 PolarHBondContact O-N 3.14Å; L334-T338 PolarHBondContact O-OG1 2.9Å
335	S	72.1	Confident	69.3	Low	74 Å²	74	93 Å²	93	52%	0.517	50%	0.503	S	S	.	.	H	α-helix	trans	-63.5	-36.5	177	-58.6	0	0	0	0	112.3	R331 A332 T338 S339	R331-S335 WeakPolarHBondContact O-CB 3.48Å; R331-S335 PolarHBondContact O-N 2.96Å; R331-S335 PolarHBondContact O-OG 2.81Å; A332-S335 PolarHBondContact O-N 3.24Å; S335-T338 PolarHBondContact O-N 3.01Å; S335-S339 PolarHBondContact O-N 3.2Å; S335-S339 PolarHBondContact O-OG 3.29Å
336	A	68.8	Low	67.6	Low	52 Å²	52	90 Å²	90	43%	0.43	50%	0.5	S	S	.	.	H	α-helix	trans	-63.3	-43.2	173.8	0	0	0	0	0	112	A332 L334 T338 S339 E340	A332-A336 WeakPolarHBondContact O-CB 3.37Å; A332-A336 PolarHBondContact O-N 2.84Å; L334-A336 VanDerWaalsContact C-N 3.3Å; L334-A336 PolarHBondContact O-N 2.87Å; A336-T338 PolarHBondContact O-N 3.18Å; A336-S339 VanDerWaalsContact CA-OG 3.31Å; A336-S339 WeakPolarHBondContact CA-OG 3.47Å; A336-S339 PolarHBondContact O-N 2.8Å; A336-S339 PolarHBondContact O-OG 3.44Å; A336-E340 PolarHBondContact O-N 3.47Å
337	R	64.1	Low	66.4	Low	153 Å²	153	91.2 Å²	91.2	58%	0.577	51%	0.506	S	S	*	.	H	α-helix	trans	-63.2	-41.3	175.2	-67.6	174.6	76.4	-164.7	3.6	112.3	K333 L334 S339 E340	K333-R337 WeakPolarHBondContact O-CG 3.3Å; K333-R337 PolarHBondContact O-N 3.17Å; L334-R337 PolarHBondContact O-N 2.78Å; R337-S339 VanDerWaalsContact C-N 3.33Å; R337-S339 PolarHBondContact O-N 3.19Å; R337-E340 PolarHBondContact O-N 3.37Å
338	T	53	Low	65.4	Low	74 Å²	74	92.2 Å²	92.2	45%	0.454	51%	0.512	S	S	.	.	H	α-helix	trans	-70.2	-29.7	178.5	-45.8	0	0	0	0	112.4	L334 S335 A336 E340 E341 T342	L334-T338 PolarHBondContact O-N 3.14Å; L334-T338 PolarHBondContact O-OG1 2.9Å; S335-T338 PolarHBondContact O-N 3.01Å; A336-T338 PolarHBondContact O-N 3.18Å; T338-E340 VanDerWaalsContact C-N 3.34Å; T338-E341 CarbonylContact O-C 3.55Å; T338-E341 PolarHBondContact O-N 3.02Å; T338-E341 VanDerWaalsContact O-N 3.11Å; T338-T342 HydrophobicContact CG2-CG2 4.11Å; T338-T342 WeakPolarHBondContact O-CG2 3.45Å; T338-T342 PolarHBondContact O-N 2.86Å; T338-T342 PolarHBondContact O-OG1 3.12Å
339	S	46.6	Very low	64.3	Low	74 Å²	74	96.3 Å²	96.3	52%	0.517	54%	0.539	S	S	.	.	H	α-helix	trans	-74	-22.8	178.3	34.5	0	0	0	0	113.8	S335 A336 R337 E341 T342	S335-S339 PolarHBondContact O-N 3.2Å; S335-S339 PolarHBondContact O-OG 3.29Å; A336-S339 VanDerWaalsContact CA-OG 3.31Å; A336-S339 WeakPolarHBondContact CA-OG 3.47Å; A336-S339 PolarHBondContact O-N 2.8Å; A336-S339 PolarHBondContact O-OG 3.44Å; R337-S339 VanDerWaalsContact C-N 3.33Å; R337-S339 PolarHBondContact O-N 3.19Å; S339-E341 VanDerWaalsContact C-N 3.29Å; S339-T342 WeakPolarHBondContact CA-OG1 3.47Å
340	E	42.8	Very low	63.2	Low	178 Å²	178	97.2 Å²	97.2	83%	0.832	54%	0.542	S	S	*	.	H	α-helix	trans	-73.9	-19.3	166.6	-70.2	-179.4	164.9	0	0	112.7	A336 R337 T338	A336-E340 PolarHBondContact O-N 3.47Å; R337-E340 PolarHBondContact O-N 3.37Å; T338-E340 VanDerWaalsContact C-N 3.34Å
341	E	39.5	Very low	62.9	Low	168 Å²	168	94.6 Å²	94.6	79%	0.785	54%	0.537	S	S	*	.	H	α-helix	trans	-101.3	-21.6	179	-71.8	-177.9	164.3	0	0	114.1	T338 S339 G343	T338-E341 CarbonylContact O-C 3.55Å; T338-E341 PolarHBondContact O-N 3.02Å; T338-E341 VanDerWaalsContact O-N 3.11Å; S339-E341 VanDerWaalsContact C-N 3.29Å; E341-G343 PolarHBondContact O-N 3.22Å
342	T	40.4	Very low	63.1	Low	67 Å²	67	91 Å²	91	41%	0.411	53%	0.525	S	S	.	.	S	Bend	trans	-83.7	101.9	175.5	51.4	0	0	0	0	110.1	T338 S339	T338-T342 HydrophobicContact CG2-CG2 4.11Å; T338-T342 WeakPolarHBondContact O-CG2 3.45Å; T338-T342 PolarHBondContact O-N 2.86Å; T338-T342 PolarHBondContact O-OG1 3.12Å; S339-T342 WeakPolarHBondContact CA-OG1 3.47Å
343	G	46.3	Very low	63.6	Low	58 Å²	58	89.4 Å²	89.4	60%	0.598	51%	0.507	S	S	*	.			trans	-48.3	151.5	-173.2	0	0	0	0	0	116.2	E341	E341-G343 PolarHBondContact O-N 3.22Å
344	E	52.9	Low	63.8	Low	177 Å²	177	85.3 Å²	85.3	83%	0.827	49%	0.49	S	S	*	.			trans	-43.9	149.7	169.4	-63.7	179.4	159	0	0	111.6	A346	E344-A346 PolarHBondContact O-N 3.05Å
345	P	56.6	Low	64.3	Low	66 Å²	66	84.8 Å²	84.8	43%	0.429	49%	0.486	S	S	.	.			trans	-53.7	113.3	174.9	5.7	-8	0	0	0	109.5	I353	P345-I353 HydrophobicContact CB-CG2 3.79Å
346	A	58.9	Low	65	Low	65 Å²	65	83.3 Å²	83.3	54%	0.537	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	129	178.3	0	0	0	0	0	108.9	E344 K354	E344-A346 PolarHBondContact O-N 3.05Å; A346-K354 PolarHBondContact O-N 2.88Å; A346-K354 VanDerWaalsContact O-N 3.15Å
347	E	68.4	Low	65.9	Low	131 Å²	131	81.1 Å²	81.1	61%	0.612	46%	0.46	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.1	126.1	170.1	-165.5	173.8	-174.4	0	0	108.7	I353	E347-I353 HydrophobicContact CG-CG1 4.48Å
348	D	69.4	Low	67	Low	41 Å²	41	79 Å²	79	22%	0.219	46%	0.455	C	S	.	.	P	Polyproline II helix	trans	-84.8	171.4	176.1	73.5	13.3	0	0	0	112.3	S350 G351 V352 K354	D348-S350 PolarHBondContact O-N 3.06Å; D348-S350 VanDerWaalsContact OD1-CA 3.31Å; D348-S350 WeakPolarHBondContact OD1-CA 3.34Å; D348-S350 WeakPolarHBondContact OD1-CB 3.48Å; D348-S350 PolarHBondContact OD1-N 2.98Å; D348-S350 PolarHBondContact OD1-OG 3.44Å; D348-S350 PolarHBondContact OD2-OG 2.89Å; D348-G351 PolarHBondContact O-N 3.45Å; D348-G351 PolarHBondContact OD1-N 3.1Å; D348-V352 PolarHBondContact N-O 3.44Å; D348-V352 PolarHBondContact OD1-N 3.3Å; D348-K354 WeakPolarHBondContact OD2-CE 3.45Å; D348-K354 IonicContact OD2-NZ 2.65Å; D348-K354 PolarHBondContact OD2-NZ 3.21Å
349	T	61.8	Low	68.8	Low	162 Å²	162	76.5 Å²	76.5	99%	0.994	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-4.1	178.6	55.5	0	0	0	0	114.3
350	S	67.9	Low	70.6	Confident	81 Å²	81	77.2 Å²	77.2	57%	0.566	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.1	6.1	176.2	68.5	0	0	0	0	113.6	D348 V352	D348-S350 PolarHBondContact O-N 3.06Å; D348-S350 VanDerWaalsContact OD1-CA 3.31Å; D348-S350 WeakPolarHBondContact OD1-CA 3.34Å; D348-S350 WeakPolarHBondContact OD1-CB 3.48Å; D348-S350 PolarHBondContact OD1-N 2.98Å; D348-S350 PolarHBondContact OD1-OG 3.44Å; D348-S350 PolarHBondContact OD2-OG 2.89Å; S350-V352 VanDerWaalsContact C-N 3.31Å
351	G	81.3	Confident	72.8	Confident	27 Å²	27	73.7 Å²	73.7	28%	0.278	42%	0.415	S	S	.	.	S	Bend	trans	72.2	22.6	-179.7	0	0	0	0	0	113.2	D348 Q408	D348-G351 PolarHBondContact O-N 3.45Å; D348-G351 PolarHBondContact OD1-N 3.1Å; G351-Q408 PolarHBondContact O-NE2 3.02Å
352	V	89.3	Confident	74.9	Confident	10 Å²	10	75.4 Å²	75.4	6%	0.061	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	121.4	176.5	-175	0	0	0	0	109.1	D348 S350 K354 K409 Q411	D348-V352 PolarHBondContact N-O 3.44Å; D348-V352 PolarHBondContact OD1-N 3.3Å; S350-V352 VanDerWaalsContact C-N 3.31Å; V352-K354 HydrophobicContact CG1-CG 4.19Å; V352-K354 PolarHBondContact O-N 3.16Å; V352-K409 HydrophobicContact CB-CB 4.4Å; V352-K409 HydrophobicContact CG1-CB 4.17Å; V352-K409 HydrophobicContact CG2-CB 3.97Å; V352-K409 HydrophobicContact CG2-CD 4.3Å; V352-Q411 HydrophobicContact CG1-CB 3.75Å
353	I	90.7	Very high	76.8	Confident	28 Å²	28	73.2 Å²	73.2	14%	0.144	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	121	174.5	-66.4	168.8	0	0	0	108.4	P345 E347 Q408 K409 Y410 Q411 V429	P345-I353 HydrophobicContact CB-CG2 3.79Å; E347-I353 HydrophobicContact CG-CG1 4.48Å; I353-Q408 HydrophobicContact CD1-CG 3.85Å; I353-K409 PolarHBondContact N-O 2.98Å; I353-Y410 HydrophobicContact CB-CD1 3.75Å; I353-Y410 HydrophobicContact CB-CE1 4.12Å; I353-Y410 HydrophobicContact CD1-CD1 4.1Å; I353-Y410 HydrophobicContact CD1-CE1 3.54Å; I353-Y410 HydrophobicContact CG1-CD1 4.48Å; I353-Y410 HydrophobicContact CG1-CE1 4.38Å; I353-Y410 HydrophobicContact CG2-CD1 3.99Å; I353-Y410 HydrophobicContact CG2-CE1 4.37Å; I353-Y410 WeakPolarHBondContact O-CA 3.35Å; I353-Q411 PolarHBondContact O-N 3.18Å; I353-V429 HydrophobicContact CG2-CG1 4.4Å
354	K	90.9	Very high	78.8	Confident	68 Å²	68	70.9 Å²	70.9	30%	0.296	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	141	-174.4	-78.3	173.7	176.5	166.9	0	112.1	A346 D348 V352 Q411 T413	A346-K354 PolarHBondContact O-N 2.88Å; A346-K354 VanDerWaalsContact O-N 3.15Å; D348-K354 WeakPolarHBondContact OD2-CE 3.45Å; D348-K354 IonicContact OD2-NZ 2.65Å; D348-K354 PolarHBondContact OD2-NZ 3.21Å; V352-K354 HydrophobicContact CG1-CG 4.19Å; V352-K354 PolarHBondContact O-N 3.16Å; K354-Q411 WeakPolarHBondContact CA-O 3.38Å; K354-Q411 HydrophobicContact CG-CB 4.24Å; K354-T413 HydrophobicContact CB-CG2 3.87Å; K354-T413 HydrophobicContact CD-CG2 4.41Å; K354-T413 HydrophobicContact CG-CG2 4.36Å
355	M	87.4	Confident	80.4	Confident	26 Å²	26	64.3 Å²	64.3	13%	0.128	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	144	172.9	-170.1	168.6	53.6	0	0	111.6	V357 Q411 S412 T413 V429 R432	M355-V357 HydrophobicContact CB-CG2 4.05Å; M355-V357 HydrophobicContact CE-CG2 3.47Å; M355-V357 VanDerWaalsContact CE-CG2 3.47Å; M355-V357 HydrophobicContact CG-CG2 3.75Å; M355-V357 PolarHBondContact O-N 2.87Å; M355-V357 HydrophobicContact SD-CG2 4.24Å; M355-Q411 PolarHBondContact N-O 2.96Å; M355-S412 WeakPolarHBondContact O-CA 3.35Å; M355-S412 PolarHBondContact O-OG 3.19Å; M355-T413 PolarHBondContact O-N 2.84Å; M355-T413 VanDerWaalsContact O-N 3.09Å; M355-V429 HydrophobicContact CB-CG1 3.97Å; M355-V429 HydrophobicContact CB-CG2 4.07Å; M355-V429 HydrophobicContact CE-CG2 4.36Å; M355-R432 HydrophobicContact CE-CB 3.62Å; M355-R432 HydrophobicContact CE-CG 4.12Å
356	A	88.3	Confident	81.5	Confident	43 Å²	43	65.3 Å²	65.3	36%	0.355	36%	0.362	S	S	.	.			trans	-77	101.6	177	0	0	0	0	0	110.5	T413 L414	A356-T413 WeakPolarHBondContact CA-OG1 3.19Å; A356-T413 WeakPolarHBondContact CB-OG1 3.41Å; A356-T413 PolarHBondContact N-OG1 3.46Å; A356-L414 HydrophobicContact CB-CD1 4.41Å; A356-L414 HydrophobicContact CB-CD2 4.46Å; A356-L414 HydrophobicContact CB-CG 4.23Å
357	V	87.1	Confident	82.8	Confident	6 Å²	6	69.6 Å²	69.6	4%	0.036	37%	0.371	C	S	.	.			trans	-142.6	140.6	-173.4	-177.2	0	0	0	0	110.4	M355 S412 I428 V429	M355-V357 HydrophobicContact CB-CG2 4.05Å; M355-V357 HydrophobicContact CE-CG2 3.47Å; M355-V357 VanDerWaalsContact CE-CG2 3.47Å; M355-V357 HydrophobicContact CG-CG2 3.75Å; M355-V357 PolarHBondContact O-N 2.87Å; M355-V357 HydrophobicContact SD-CG2 4.24Å; V357-S412 PolarHBondContact N-OG 3.25Å; V357-S412 PolarHBondContact O-OG 2.86Å; V357-I428 HydrophobicContact CG1-CB 3.84Å; V357-I428 HydrophobicContact CG1-CD1 3.86Å; V357-I428 HydrophobicContact CG1-CG1 4.47Å; V357-I428 HydrophobicContact CG1-CG2 3.47Å; V357-I428 VanDerWaalsContact CG1-CG2 3.47Å; V357-I428 HydrophobicContact CG2-CG2 4.42Å; V357-V429 HydrophobicContact CB-CG2 4.25Å; V357-V429 HydrophobicContact CG2-CG2 3.92Å
358	K	86.8	Confident	83.8	Confident	108 Å²	108	64.2 Å²	64.2	47%	0.47	35%	0.346	S	S	.	.			trans	-122.6	147.1	164.5	-87.2	-177.1	173.7	-175.5	0	110.7	D360 L414	K358-D360 PolarHBondContact O-N 3.06Å; K358-L414 HydrophobicContact CD-CD1 4.35Å; K358-L414 HydrophobicContact CG-CB 4.09Å; K358-L414 HydrophobicContact CG-CD1 3.85Å
359	F	90.7	Very high	85	Confident	23 Å²	23	63.5 Å²	63.5	10%	0.101	34%	0.344	C	S	.	.			trans	-82.1	109.4	168	174.8	-105.1	0	0	0	109.9	R361 Y364 P370 L421 Q424 I428	F359-R361 HydrophobicContact CE1-CB 4.16Å; F359-R361 HydrophobicContact CZ-CB 4.47Å; F359-Y364 AromaticContact CD2-CD2 3.89Å; F359-Y364 HydrophobicContact CD2-CD2 3.89Å; F359-Y364 AromaticContact CD2-CE2 3.5Å; F359-Y364 HydrophobicContact CD2-CE2 3.5Å; F359-Y364 VanDerWaalsContact CD2-CE2 3.5Å; F359-Y364 AromaticContact CE2-CD2 3.33Å; F359-Y364 HydrophobicContact CE2-CD2 3.33Å; F359-Y364 AromaticContact CE2-CE2 3.46Å; F359-Y364 HydrophobicContact CE2-CE2 3.46Å; F359-Y364 VanDerWaalsContact CE2-CE2 3.46Å; F359-Y364 AromaticContact CE2-CG 3.94Å; F359-Y364 HydrophobicContact CE2-CG 3.94Å; F359-Y364 HydrophobicContact CZ-CD2 4.14Å; F359-P370 HydrophobicContact CD2-CG 3.88Å; F359-P370 VanDerWaalsContact CE2-CD 3.45Å; F359-P370 HydrophobicContact CE2-CG 4Å; F359-L421 HydrophobicContact CD1-CD2 3.62Å; F359-L421 HydrophobicContact CE1-CD2 4.21Å; F359-Q424 HydrophobicContact CB-CB 3.62Å; F359-Q424 HydrophobicContact CD1-CB 3.94Å; F359-Q424 HydrophobicContact CD1-CG 4.09Å; F359-Q424 HydrophobicContact CD2-CB 3.83Å; F359-Q424 HydrophobicContact CD2-CG 4.37Å; F359-Q424 HydrophobicContact CE1-CG 4.3Å; F359-Q424 HydrophobicContact CE2-CB 4.48Å; F359-Q424 HydrophobicContact CG-CB 3.5Å; F359-Q424 VanDerWaalsContact CG-CB 3.5Å; F359-Q424 HydrophobicContact CG-CG 4.11Å; F359-I428 HydrophobicContact CB-CD1 4.15Å; F359-I428 HydrophobicContact CD2-CD1 4.24Å
360	D	85.6	Confident	86.6	Confident	88 Å²	88	55.8 Å²	55.8	47%	0.471	30%	0.296	S	S	.	.			trans	-97.3	115	167.5	-178.2	-4.4	0	0	0	109.7	K358 R362 A363 Y364	K358-D360 PolarHBondContact O-N 3.06Å; D360-R362 PolarHBondContact O-N 3.38Å; D360-R362 VanDerWaalsContact O-N 3.11Å; D360-R362 WeakPolarHBondContact OD1-CB 3.4Å; D360-R362 PolarHBondContact OD1-N 2.59Å; D360-A363 PolarHBondContact O-N 3.12Å; D360-A363 VanDerWaalsContact O-N 3.1Å; D360-Y364 WeakPolarHBondContact O-CD2 3.47Å; D360-Y364 WeakPolarHBondContact O-CE2 3.43Å
361	R	88.3	Confident	88	Confident	105 Å²	105	54.5 Å²	54.5	40%	0.396	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-55.8	-31.1	-179.1	-179.6	58.5	-175.3	125.4	-21.1	113.5	F359 A363 Y364 P365 A366	F359-R361 HydrophobicContact CE1-CB 4.16Å; F359-R361 HydrophobicContact CZ-CB 4.47Å; R361-A363 PolarHBondContact O-N 2.77Å; R361-Y364 PolarHBondContact NH1-O 3.25Å; R361-Y364 PolarHBondContact O-N 3.29Å; R361-P365 PolarHBondContact NH1-O 2.93Å; R361-P365 PolarHBondContact NH2-O 2.91Å; R361-A366 PolarHBondContact NH2-O 3.37Å
362	R	83.8	Confident	88.7	Confident	204 Å²	204	57 Å²	57	77%	0.77	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-70.9	-21.5	-176.6	-59.2	175.4	-168.6	-178.8	4	112.5	D360 Y364 L441	D360-R362 PolarHBondContact O-N 3.38Å; D360-R362 VanDerWaalsContact O-N 3.11Å; D360-R362 WeakPolarHBondContact OD1-CB 3.4Å; D360-R362 PolarHBondContact OD1-N 2.59Å; R362-Y364 VanDerWaalsContact C-N 3.28Å; R362-Y364 PolarHBondContact O-N 3.32Å; R362-L441 WeakPolarHBondContact O-CD1 3.42Å
363	A	80.7	Confident	88.9	Confident	21 Å²	21	57 Å²	57	17%	0.174	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-80.8	-3.1	179.7	0	0	0	0	0	114	D360 R361 R440 L441	D360-A363 PolarHBondContact O-N 3.12Å; D360-A363 VanDerWaalsContact O-N 3.1Å; R361-A363 PolarHBondContact O-N 2.77Å; A363-R440 HydrophobicContact CB-CG 4.26Å; A363-R440 VanDerWaalsContact O-CG 3.27Å; A363-R440 WeakPolarHBondContact O-CG 3.38Å; A363-L441 PolarHBondContact O-N 3.21Å
364	Y	87.7	Confident	89.2	Confident	9 Å²	9	55.6 Å²	55.6	4%	0.035	28%	0.279	C	S	.	.	S	Bend	trans	-128.5	146.5	-174.1	-56.9	-94.1	0	0	0	111.9	F359 D360 R361 R362 P370 I428 E438 G439 R440	F359-Y364 AromaticContact CD2-CD2 3.89Å; F359-Y364 HydrophobicContact CD2-CD2 3.89Å; F359-Y364 AromaticContact CD2-CE2 3.5Å; F359-Y364 HydrophobicContact CD2-CE2 3.5Å; F359-Y364 VanDerWaalsContact CD2-CE2 3.5Å; F359-Y364 AromaticContact CE2-CD2 3.33Å; F359-Y364 HydrophobicContact CE2-CD2 3.33Å; F359-Y364 AromaticContact CE2-CE2 3.46Å; F359-Y364 HydrophobicContact CE2-CE2 3.46Å; F359-Y364 VanDerWaalsContact CE2-CE2 3.46Å; F359-Y364 AromaticContact CE2-CG 3.94Å; F359-Y364 HydrophobicContact CE2-CG 3.94Å; F359-Y364 HydrophobicContact CZ-CD2 4.14Å; D360-Y364 WeakPolarHBondContact O-CD2 3.47Å; D360-Y364 WeakPolarHBondContact O-CE2 3.43Å; R361-Y364 PolarHBondContact NH1-O 3.25Å; R361-Y364 PolarHBondContact O-N 3.29Å; R362-Y364 VanDerWaalsContact C-N 3.28Å; R362-Y364 PolarHBondContact O-N 3.32Å; Y364-P370 HydrophobicContact CD1-CG 4.21Å; Y364-P370 HydrophobicContact CE1-CG 3.6Å; Y364-P370 HydrophobicContact CE2-CG 4.44Å; Y364-I428 WeakPolarHBondContact OH-CD1 3.32Å; Y364-E438 HydrophobicContact CE1-CB 4.37Å; Y364-E438 HydrophobicContact CE1-CG 4Å; Y364-E438 WeakPolarHBondContact CE1-O 3.43Å; Y364-E438 PolarHBondContact OH-OE1 3.28Å; Y364-G439 WeakPolarHBondContact CD1-O 3.27Å; Y364-R440 HydrophobicContact CE1-CB 4.35Å; Y364-R440 HydrophobicContact CE1-CG 4.24Å
365	P	87.1	Confident	89.4	Confident	38 Å²	38	54.6 Å²	54.6	25%	0.247	28%	0.277	C	S	.	.			trans	-54.6	154.7	172.2	-24.5	33.3	0	0	0	113.5	R361 Q367 I368 G439 L441	R361-P365 PolarHBondContact NH1-O 2.93Å; R361-P365 PolarHBondContact NH2-O 2.91Å; P365-Q367 PolarHBondContact O-N 3.42Å; P365-I368 HydrophobicContact CB-CB 4.39Å; P365-I368 HydrophobicContact CB-CG1 4.41Å; P365-I368 HydrophobicContact CG-CB 4.47Å; P365-I368 HydrophobicContact CG-CD1 4.29Å; P365-I368 PolarHBondContact O-N 3.26Å; P365-G439 WeakPolarHBondContact CD-O 3.47Å; P365-L441 HydrophobicContact CG-CD2 3.86Å
366	A	79.4	Confident	89.7	Confident	87 Å²	87	56.1 Å²	56.1	72%	0.719	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-24.3	-176.7	0	0	0	0	0	114.3	R361	R361-A366 PolarHBondContact NH2-O 3.37Å
367	Q	86.1	Confident	89.9	Confident	156 Å²	156	56.2 Å²	56.2	73%	0.729	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.3	-4.3	-175.8	-55.9	-146.5	17.5	0	0	114.9	P365 M372	P365-Q367 PolarHBondContact O-N 3.42Å; Q367-M372 VanDerWaalsContact O-CE 3.28Å; Q367-M372 WeakPolarHBondContact O-CE 3.34Å
368	I	88.5	Confident	90.3	Very high	17 Å²	17	56 Å²	56	9%	0.087	27%	0.273	C	S	.	.			trans	-114.5	137.3	-174.8	-58.1	-178.5	0	0	0	109	P365 C373 L448	P365-I368 HydrophobicContact CB-CB 4.39Å; P365-I368 HydrophobicContact CB-CG1 4.41Å; P365-I368 HydrophobicContact CG-CB 4.47Å; P365-I368 HydrophobicContact CG-CD1 4.29Å; P365-I368 PolarHBondContact O-N 3.26Å; I368-C373 VanDerWaalsContact CG2-SG 3.59Å; I368-L448 HydrophobicContact CD1-CD1 4.44Å; I368-L448 HydrophobicContact CG1-CD1 4.23Å
369	T	94.6	Very high	90.6	Very high	26 Å²	26	57.4 Å²	57.4	16%	0.16	28%	0.276	C	S	.	.			trans	-137.4	150.9	172.4	67.6	0	0	0	0	110.2	K371 M372 C373 Q424	T369-K371 VanDerWaalsContact C-N 3.27Å; T369-K371 PolarHBondContact O-N 3.16Å; T369-M372 HydrophobicContact CG2-SD 4.42Å; T369-M372 WeakPolarHBondContact O-CA 3.18Å; T369-M372 WeakPolarHBondContact O-CB 3.49Å; T369-M372 PolarHBondContact O-N 3.3Å; T369-M372 WeakPolarHBondContact OG1-CG 3.36Å; T369-C373 PolarHBondContact O-N 2.74Å; T369-C373 VanDerWaalsContact O-N 3.1Å; T369-Q424 PolarHBondContact OG1-NE2 2.69Å
370	P	96.6	Very high	90.7	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-50.7	-41.9	176.7	-31.3	35.4	0	0	0	114.3	F359 Y364 M372 C373 L374 Q424 A427 I428 L431	F359-P370 HydrophobicContact CD2-CG 3.88Å; F359-P370 VanDerWaalsContact CE2-CD 3.45Å; F359-P370 HydrophobicContact CE2-CG 4Å; Y364-P370 HydrophobicContact CD1-CG 4.21Å; Y364-P370 HydrophobicContact CE1-CG 3.6Å; Y364-P370 HydrophobicContact CE2-CG 4.44Å; P370-M372 VanDerWaalsContact C-N 3.25Å; P370-M372 PolarHBondContact O-N 3.14Å; P370-C373 PolarHBondContact O-N 2.7Å; P370-L374 WeakPolarHBondContact O-CB 3.38Å; P370-L374 PolarHBondContact O-N 2.81Å; P370-Q424 VanDerWaalsContact CD-OE1 3.24Å; P370-A427 HydrophobicContact CB-CB 4.13Å; P370-I428 HydrophobicContact CB-CD1 4.47Å; P370-I428 HydrophobicContact CB-CG1 3.58Å; P370-I428 HydrophobicContact CG-CD1 3.93Å; P370-I428 HydrophobicContact CG-CG1 3.49Å; P370-I428 VanDerWaalsContact CG-CG1 3.49Å; P370-L431 HydrophobicContact CB-CD1 4.28Å; P370-L431 WeakPolarHBondContact O-CD1 3.29Å
371	K	96.6	Very high	91	Very high	54 Å²	54	64.7 Å²	64.7	24%	0.235	30%	0.3	C	S	.	.	H	α-helix	trans	-58.7	-36	175	-73.6	-173.1	82.1	-175.5	0	113	T369 L375 Y388 E423 Q424 A427	T369-K371 VanDerWaalsContact C-N 3.27Å; T369-K371 PolarHBondContact O-N 3.16Å; K371-L375 VanDerWaalsContact O-CB 3.31Å; K371-L375 WeakPolarHBondContact O-CB 3.44Å; K371-L375 PolarHBondContact O-N 3.05Å; K371-Y388 HydrophobicContact CG-CE1 4.39Å; K371-E423 HydrophobicContact CD-CB 3.71Å; K371-E423 IonicContact NZ-OE2 3.6Å; K371-E423 PolarHBondContact NZ-OE2 3.23Å; K371-Q424 HydrophobicContact CD-CG 4.35Å; K371-Q424 VanDerWaalsContact CG-CD 3.5Å; K371-Q424 HydrophobicContact CG-CG 4.27Å; K371-A427 HydrophobicContact CG-CB 3.97Å
372	M	95.8	Very high	91.2	Very high	81 Å²	81	68.9 Å²	68.9	40%	0.399	32%	0.321	S	S	.	.	H	α-helix	trans	-71.3	-43.2	177.4	-68.5	168.1	62.5	0	0	110.8	Q367 T369 P370 L375 E376	Q367-M372 VanDerWaalsContact O-CE 3.28Å; Q367-M372 WeakPolarHBondContact O-CE 3.34Å; T369-M372 HydrophobicContact CG2-SD 4.42Å; T369-M372 WeakPolarHBondContact O-CA 3.18Å; T369-M372 WeakPolarHBondContact O-CB 3.49Å; T369-M372 PolarHBondContact O-N 3.3Å; T369-M372 WeakPolarHBondContact OG1-CG 3.36Å; P370-M372 VanDerWaalsContact C-N 3.25Å; P370-M372 PolarHBondContact O-N 3.14Å; M372-L375 PolarHBondContact O-N 2.7Å; M372-E376 WeakPolarHBondContact O-CB 3.5Å; M372-E376 PolarHBondContact O-N 3.25Å
373	C	94.1	Very high	91.6	Very high	8 Å²	8	62.1 Å²	62.1	5%	0.054	30%	0.3	C	S	.	.	H	α-helix	trans	-59.2	-47.2	175.3	-62	0	0	0	0	111.2	I368 T369 P370 L375 E376 W377 L431	I368-C373 VanDerWaalsContact CG2-SG 3.59Å; T369-C373 PolarHBondContact O-N 2.74Å; T369-C373 VanDerWaalsContact O-N 3.1Å; P370-C373 PolarHBondContact O-N 2.7Å; C373-L375 PolarHBondContact O-N 3.18Å; C373-E376 PolarHBondContact O-N 2.95Å; C373-W377 WeakPolarHBondContact O-CB 3.35Å; C373-W377 PolarHBondContact O-N 3.04Å; C373-L431 HydrophobicContact CB-CD1 3.95Å
374	L	96.2	Very high	92.3	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-63.4	-43.3	178.7	-176	61.6	0	0	0	112.4	P370 E376 W377 C378 P386 V403 V405 A427 C430 L431	P370-L374 WeakPolarHBondContact O-CB 3.38Å; P370-L374 PolarHBondContact O-N 2.81Å; L374-E376 VanDerWaalsContact C-N 3.33Å; L374-E376 PolarHBondContact O-N 3.41Å; L374-W377 HydrophobicContact CD1-CE3 3.81Å; L374-W377 HydrophobicContact CD1-CZ3 4.17Å; L374-W377 PolarHBondContact O-N 3.12Å; L374-C378 PolarHBondContact O-N 3.45Å; L374-C378 PolarHBondContact O-SG 3.39Å; L374-C378 VanDerWaalsContact O-SG 3.34Å; L374-P386 HydrophobicContact CD2-CB 4.19Å; L374-P386 HydrophobicContact CD2-CG 4.13Å; L374-P386 HydrophobicContact CG-CB 4.48Å; L374-P386 HydrophobicContact CG-CG 3.88Å; L374-V403 HydrophobicContact CD2-CG2 4.07Å; L374-V405 HydrophobicContact CD1-CG2 4.43Å; L374-V405 HydrophobicContact CD2-CG2 4.18Å; L374-A427 HydrophobicContact CB-CB 4.41Å; L374-A427 HydrophobicContact CD2-CB 3.93Å; L374-C430 HydrophobicContact CD1-CB 4.19Å; L374-C430 VanDerWaalsContact CD1-SG 3.55Å; L374-C430 HydrophobicContact CD2-CB 3.97Å; L374-L431 HydrophobicContact CB-CD1 4.16Å; L374-L431 HydrophobicContact CB-CD2 4.13Å; L374-L431 HydrophobicContact CB-CG 4.13Å; L374-L431 HydrophobicContact CD1-CD2 3.91Å; L374-L431 HydrophobicContact CD1-CG 4.15Å
375	L	95.6	Very high	92.6	Very high	47 Å²	47	70.9 Å²	70.9	25%	0.246	35%	0.351	C	S	.	.	H	α-helix	trans	-61.4	-42.9	176.8	178.3	63.7	0	0	0	111.9	K371 M372 C373 C378 R379 Q385	K371-L375 VanDerWaalsContact O-CB 3.31Å; K371-L375 WeakPolarHBondContact O-CB 3.44Å; K371-L375 PolarHBondContact O-N 3.05Å; M372-L375 PolarHBondContact O-N 2.7Å; C373-L375 PolarHBondContact O-N 3.18Å; L375-C378 PolarHBondContact O-N 2.69Å; L375-R379 WeakPolarHBondContact O-CG 3.46Å; L375-R379 PolarHBondContact O-N 3.09Å; L375-R379 VanDerWaalsContact O-N 3.13Å; L375-Q385 HydrophobicContact CD1-CB 4.33Å; L375-Q385 HydrophobicContact CD1-CG 4.08Å
376	E	93.3	Very high	93.1	Very high	57 Å²	57	69.9 Å²	69.9	27%	0.266	34%	0.344	S	S	.	.	H	α-helix	trans	-69.9	-38.2	-179.3	-168.4	58	-155.8	0	0	111.9	M372 C373 L374 R379 R380 L448	M372-E376 WeakPolarHBondContact O-CB 3.5Å; M372-E376 PolarHBondContact O-N 3.25Å; C373-E376 PolarHBondContact O-N 2.95Å; L374-E376 VanDerWaalsContact C-N 3.33Å; L374-E376 PolarHBondContact O-N 3.41Å; E376-R379 WeakPolarHBondContact O-CB 3.39Å; E376-R379 PolarHBondContact O-N 3.22Å; E376-R379 IonicContact OE2-NH1 3.93Å; E376-R379 PolarHBondContact OE2-NH1 3.33Å; E376-R380 PolarHBondContact O-N 2.86Å; E376-L448 HydrophobicContact CB-CD2 4.43Å; E376-L448 HydrophobicContact CG-CD2 4.09Å
377	W	93.8	Very high	93.9	Very high	46 Å²	46	69.8 Å²	69.8	17%	0.174	34%	0.335	C	S	.	.	H	α-helix	trans	-60.3	-48.9	171.7	173.6	75.8	0	0	0	111.8	C373 L374 R379 R380 E381 L383 V405 Q434 L436	C373-W377 WeakPolarHBondContact O-CB 3.35Å; C373-W377 PolarHBondContact O-N 3.04Å; L374-W377 HydrophobicContact CD1-CE3 3.81Å; L374-W377 HydrophobicContact CD1-CZ3 4.17Å; L374-W377 PolarHBondContact O-N 3.12Å; W377-R379 PolarHBondContact O-N 3.45Å; W377-R380 WeakPolarHBondContact O-CB 3.49Å; W377-R380 PolarHBondContact O-N 2.87Å; W377-R380 VanDerWaalsContact O-N 3.07Å; W377-E381 HydrophobicContact CD2-CG 4.32Å; W377-E381 HydrophobicContact CG-CG 4.45Å; W377-E381 HydrophobicContact CZ2-CG 4.11Å; W377-E381 PolarHBondContact O-N 2.61Å; W377-L383 HydrophobicContact CH2-CD1 3.68Å; W377-L383 HydrophobicContact CZ2-CD1 4.26Å; W377-L383 HydrophobicContact CZ3-CD1 3.83Å; W377-V405 HydrophobicContact CZ3-CG1 3.83Å; W377-Q434 HydrophobicContact CH2-CG 4.44Å; W377-L436 HydrophobicContact CD2-CD1 3.45Å; W377-L436 VanDerWaalsContact CD2-CD1 3.45Å; W377-L436 HydrophobicContact CE3-CD1 4.07Å; W377-L436 HydrophobicContact CG-CD1 3.64Å; W377-L436 HydrophobicContact CH2-CD1 4.38Å; W377-L436 HydrophobicContact CZ2-CD1 3.84Å; W377-L436 HydrophobicContact CZ3-CD1 4.47Å
378	C	94.5	Very high	94.4	Very high	1 Å²	1	64.4 Å²	64.4	1%	0.007	31%	0.308	C	S	.	.	H	α-helix	trans	-55.1	-39.5	175.8	-73.2	0	0	0	0	112.4	L374 L375 K382 L383 P386 V405	L374-C378 PolarHBondContact O-N 3.45Å; L374-C378 PolarHBondContact O-SG 3.39Å; L374-C378 VanDerWaalsContact O-SG 3.34Å; L375-C378 PolarHBondContact O-N 2.69Å; C378-K382 PolarHBondContact O-N 3.17Å; C378-K382 VanDerWaalsContact O-N 3.12Å; C378-L383 HydrophobicContact CB-CB 4.23Å; C378-L383 PolarHBondContact O-N 3.05Å; C378-P386 HydrophobicContact CB-CG 4.4Å; C378-P386 VanDerWaalsContact SG-CG 3.59Å; C378-V405 WeakPolarHBondContact SG-CG1 3.42Å
379	R	93.8	Very high	94.8	Very high	137 Å²	137	68.8 Å²	68.8	52%	0.517	33%	0.328	S	S	.	.	H	α-helix	trans	-65.4	-45.2	176.2	-73.2	175.5	-176.4	157.7	-2.4	112.6	L375 E376 W377 E381 K382	L375-R379 WeakPolarHBondContact O-CG 3.46Å; L375-R379 PolarHBondContact O-N 3.09Å; L375-R379 VanDerWaalsContact O-N 3.13Å; E376-R379 WeakPolarHBondContact O-CB 3.39Å; E376-R379 PolarHBondContact O-N 3.22Å; E376-R379 IonicContact OE2-NH1 3.93Å; E376-R379 PolarHBondContact OE2-NH1 3.33Å; W377-R379 PolarHBondContact O-N 3.45Å; R379-E381 VanDerWaalsContact C-N 3.31Å; R379-E381 PolarHBondContact O-N 3.34Å; R379-K382 PolarHBondContact O-N 2.93Å; R379-K382 VanDerWaalsContact O-N 3.15Å
380	R	92.1	Very high	94.9	Very high	167 Å²	167	69.4 Å²	69.4	63%	0.63	33%	0.332	S	S	*	.	H	α-helix	trans	-59.7	-43.6	177.9	-85.4	177.8	49.5	-178.1	-7.7	111.7	E376 W377 K382	E376-R380 PolarHBondContact O-N 2.86Å; W377-R380 WeakPolarHBondContact O-CB 3.49Å; W377-R380 PolarHBondContact O-N 2.87Å; W377-R380 VanDerWaalsContact O-N 3.07Å; R380-K382 PolarHBondContact O-N 3.42Å
381	E	92.2	Very high	94.8	Very high	98 Å²	98	73.5 Å²	73.5	46%	0.458	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	4.7	179.4	-59.4	-49.9	130.1	0	0	113.3	W377 R379 L383	W377-E381 HydrophobicContact CD2-CG 4.32Å; W377-E381 HydrophobicContact CG-CG 4.45Å; W377-E381 HydrophobicContact CZ2-CG 4.11Å; W377-E381 PolarHBondContact O-N 2.61Å; R379-E381 VanDerWaalsContact C-N 3.31Å; R379-E381 PolarHBondContact O-N 3.34Å; E381-L383 HydrophobicContact CB-CD1 4.04Å; E381-L383 HydrophobicContact CB-CG 3.91Å; E381-L383 PolarHBondContact O-N 2.89Å
382	K	93.1	Very high	94.7	Very high	193 Å²	193	75.9 Å²	75.9	84%	0.839	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	31.7	-178.3	-56	177.9	-178.3	174.8	0	113.5	C378 R379 R380	C378-K382 PolarHBondContact O-N 3.17Å; C378-K382 VanDerWaalsContact O-N 3.12Å; R379-K382 PolarHBondContact O-N 2.93Å; R379-K382 VanDerWaalsContact O-N 3.15Å; R380-K382 PolarHBondContact O-N 3.42Å
383	L	93	Very high	94.3	Very high	62 Å²	62	75.8 Å²	75.8	33%	0.325	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-83.1	159.6	174.2	-60.6	176	0	0	0	110.9	W377 C378 E381 V405 A406	W377-L383 HydrophobicContact CH2-CD1 3.68Å; W377-L383 HydrophobicContact CZ2-CD1 4.26Å; W377-L383 HydrophobicContact CZ3-CD1 3.83Å; C378-L383 HydrophobicContact CB-CB 4.23Å; C378-L383 PolarHBondContact O-N 3.05Å; E381-L383 HydrophobicContact CB-CD1 4.04Å; E381-L383 HydrophobicContact CB-CG 3.91Å; E381-L383 PolarHBondContact O-N 2.89Å; L383-V405 HydrophobicContact CD1-CG1 4.21Å; L383-A406 HydrophobicContact CD1-CB 4.38Å; L383-A406 HydrophobicContact CD2-CB 4.21Å
384	A	93.7	Very high	92.9	Very high	79 Å²	79	81.2 Å²	81.2	65%	0.653	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-58.3	152.5	167.6	0	0	0	0	0	110.8
385	Q	94.8	Very high	91.4	Very high	134 Å²	134	89.2 Å²	89.2	63%	0.626	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-64.1	143.2	178.9	-66.2	-172.1	8.2	0	0	111	L375 V387	L375-Q385 HydrophobicContact CD1-CB 4.33Å; L375-Q385 HydrophobicContact CD1-CG 4.08Å; Q385-V387 PolarHBondContact O-N 2.96Å
386	P	96.6	Very high	90.4	Very high	17 Å²	17	90.3 Å²	90.3	11%	0.11	45%	0.447	C	S	.	.	P	Polyproline II helix	trans	-58.2	128.3	177.6	-22.6	31.2	0	0	0	112.2	L374 C378 Y388 V403 V405	L374-P386 HydrophobicContact CD2-CB 4.19Å; L374-P386 HydrophobicContact CD2-CG 4.13Å; L374-P386 HydrophobicContact CG-CB 4.48Å; L374-P386 HydrophobicContact CG-CG 3.88Å; C378-P386 HydrophobicContact CB-CG 4.4Å; C378-P386 VanDerWaalsContact SG-CG 3.59Å; P386-Y388 HydrophobicContact CB-CE2 3.8Å; P386-V403 HydrophobicContact CB-CG2 3.76Å; P386-V405 HydrophobicContact CB-CG2 3.88Å; P386-V405 HydrophobicContact CG-CG2 4.13Å
387	V	97	Very high	90.1	Very high	85 Å²	85	96.5 Å²	96.5	52%	0.515	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	130	178.3	-178.7	0	0	0	0	109.4	Q385 V403 T404	Q385-V387 PolarHBondContact O-N 2.96Å; V387-V403 CarbonylContact O-C 3.53Å; V387-V403 WeakPolarHBondContact O-CA 3.44Å; V387-T404 PolarHBondContact N-O 2.86Å; V387-T404 VanDerWaalsContact N-O 3.16Å; V387-T404 PolarHBondContact O-N 3.45Å
388	Y	97.4	Very high	89.7	Confident	44 Å²	44	96 Å²	96	17%	0.173	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	127.6	-178.4	-64.8	-96.9	0	0	0	111.4	K371 P386 I402 V403 E423 A426 A427	K371-Y388 HydrophobicContact CG-CE1 4.39Å; P386-Y388 HydrophobicContact CB-CE2 3.8Å; Y388-I402 WeakPolarHBondContact CA-O 3.32Å; Y388-V403 HydrophobicContact CD1-CB 3.74Å; Y388-V403 HydrophobicContact CD1-CG2 3.86Å; Y388-V403 HydrophobicContact CD2-CG2 4.29Å; Y388-V403 HydrophobicContact CE1-CB 3.54Å; Y388-V403 HydrophobicContact CE1-CG1 4.45Å; Y388-V403 HydrophobicContact CE1-CG2 3.45Å; Y388-V403 VanDerWaalsContact CE1-CG2 3.45Å; Y388-V403 HydrophobicContact CE2-CG2 3.92Å; Y388-V403 HydrophobicContact CG-CB 4.47Å; Y388-V403 HydrophobicContact CG-CG2 4.26Å; Y388-V403 VanDerWaalsContact CZ-CG2 3.46Å; Y388-E423 HydrophobicContact CD1-CB 3.76Å; Y388-E423 HydrophobicContact CD1-CG 3.81Å; Y388-E423 HydrophobicContact CE1-CB 4.03Å; Y388-E423 VanDerWaalsContact CE1-O 3.25Å; Y388-E423 WeakPolarHBondContact CE1-O 3.44Å; Y388-E423 HydrophobicContact CG-CB 4.39Å; Y388-E423 HydrophobicContact CG-CG 4.08Å; Y388-A426 HydrophobicContact CE1-CB 4.48Å; Y388-A427 HydrophobicContact CE1-CB 4.41Å; Y388-A427 WeakPolarHBondContact OH-CB 3.24Å
389	E	96.9	Very high	89.7	Confident	109 Å²	109	98 Å²	98	51%	0.509	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	120.5	170.9	-69	175.4	-167	0	0	108.5	S401 I402	E389-S401 CarbonylContact O-C 3.58Å; E389-S401 VanDerWaalsContact O-CA 3.3Å; E389-S401 WeakPolarHBondContact O-CA 3.5Å; E389-S401 PolarHBondContact O-OG 3.3Å; E389-I402 PolarHBondContact N-O 3.05Å; E389-I402 PolarHBondContact O-N 3.24Å
390	T	96.5	Very high	89.7	Confident	38 Å²	38	91.7 Å²	91.7	23%	0.233	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	128.6	-176.8	-44.7	0	0	0	0	110.8	F399 S400 S401 K419 A422	T390-F399 HydrophobicContact CG2-CB 4.01Å; T390-F399 HydrophobicContact CG2-CD1 4.01Å; T390-S400 CarbonylContact C-O 3.59Å; T390-S400 WeakPolarHBondContact CA-O 3.39Å; T390-S400 WeakPolarHBondContact CG2-O 3.49Å; T390-S401 PolarHBondContact OG1-OG 2.89Å; T390-K419 HydrophobicContact CG2-CB 4.32Å; T390-K419 HydrophobicContact CG2-CG 4.03Å; T390-A422 HydrophobicContact CG2-CB 4.36Å
391	V	94.1	Very high	89.9	Confident	86 Å²	86	83.9 Å²	83.9	52%	0.521	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	144	173.2	-65.3	0	0	0	0	110.3	F399 S400 W415	V391-F399 CarbonylContact O-C 3.34Å; V391-F399 VanDerWaalsContact O-CA 3.3Å; V391-F399 WeakPolarHBondContact O-CA 3.4Å; V391-S400 PolarHBondContact N-O 3.35Å; V391-S400 PolarHBondContact O-N 2.88Å; V391-W415 HydrophobicContact CG2-CH2 3.96Å; V391-W415 HydrophobicContact CG2-CZ3 4.15Å
392	Q	94.8	Very high	90.1	Very high	104 Å²	104	81 Å²	81	49%	0.486	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	129.4	172.3	-171.6	179.3	32.7	0	0	109.7	R397 L398 F399	Q392-R397 PolarHBondContact NE2-O 3.34Å; Q392-L398 CarbonylContact C-O 3.44Å; Q392-L398 WeakPolarHBondContact CA-O 3.34Å; Q392-F399 HydrophobicContact CB-CD1 4.01Å; Q392-F399 HydrophobicContact CB-CE1 3.91Å; Q392-F399 HydrophobicContact CG-CD1 4.18Å; Q392-F399 HydrophobicContact CG-CE1 3.89Å; Q392-F399 HydrophobicContact CG-CE2 4.42Å; Q392-F399 HydrophobicContact CG-CZ 4.04Å
393	R	86.3	Confident	90.4	Very high	80 Å²	80	71.8 Å²	71.8	30%	0.302	37%	0.372	S	S	.	.			trans	-79.3	125	176.9	-176.2	160.8	64	-161.1	3.4	110.4	L395 D396 R397 L398 W415	R393-L395 PolarHBondContact O-N 3.01Å; R393-D396 IonicContact CZ-OD1 2.75Å; R393-D396 IonicContact CZ-OD2 3.31Å; R393-D396 IonicContact NE-OD1 3.17Å; R393-D396 PolarHBondContact NE-OD1 3.3Å; R393-D396 IonicContact NE-OD2 3.38Å; R393-D396 PolarHBondContact NE-OD2 2.95Å; R393-D396 IonicContact NH2-OD1 3Å; R393-D396 IonicContact NH2-OD2 3.91Å; R393-D396 PolarHBondContact NH2-OD2 3.01Å; R393-R397 WeakPolarHBondContact O-CA 3.41Å; R393-R397 PolarHBondContact O-N 3.39Å; R393-L398 PolarHBondContact N-O 2.8Å; R393-W415 HydrophobicContact CB-CE3 4.01Å; R393-W415 HydrophobicContact CB-CH2 4.07Å; R393-W415 HydrophobicContact CB-CZ3 3.62Å
394	P	66.4	Low	90.5	Very high	121 Å²	121	70.4 Å²	70.4	79%	0.786	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-34.4	-174.8	-27	35.4	0	0	0	115.4
395	L	64.1	Low	90.6	Very high	168 Å²	168	66.8 Å²	66.8	88%	0.88	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-44.9	-172.7	-78.5	151.6	0	0	0	113.5	R393	R393-L395 PolarHBondContact O-N 3.01Å
396	D	74.9	Confident	90.4	Very high	70 Å²	70	63.6 Å²	63.6	37%	0.374	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.5	5.7	-173.4	59.9	-0.6	0	0	0	113.3	R393 L398	R393-D396 IonicContact CZ-OD1 2.75Å; R393-D396 IonicContact CZ-OD2 3.31Å; R393-D396 IonicContact NE-OD1 3.17Å; R393-D396 PolarHBondContact NE-OD1 3.3Å; R393-D396 IonicContact NE-OD2 3.38Å; R393-D396 PolarHBondContact NE-OD2 2.95Å; R393-D396 IonicContact NH2-OD1 3Å; R393-D396 IonicContact NH2-OD2 3.91Å; R393-D396 PolarHBondContact NH2-OD2 3.01Å; D396-L398 HydrophobicContact CB-CG 4.25Å; D396-L398 PolarHBondContact O-N 3.42Å; D396-L398 VanDerWaalsContact O-N 3.08Å; D396-L398 PolarHBondContact OD1-N 2.97Å; D396-L398 VanDerWaalsContact OD2-CD1 3.25Å; D396-L398 WeakPolarHBondContact OD2-CD1 3.43Å
397	R	86	Confident	90.1	Very high	187 Å²	187	71.9 Å²	71.9	71%	0.706	37%	0.37	S	S	*	.			trans	58.2	18.6	178.2	-60	-177.4	178.5	-175.6	-0.9	114	Q392 R393 F399	Q392-R397 PolarHBondContact NE2-O 3.34Å; R393-R397 WeakPolarHBondContact O-CA 3.41Å; R393-R397 PolarHBondContact O-N 3.39Å; R397-F399 WeakPolarHBondContact O-CD2 3.45Å; R397-F399 VanDerWaalsContact O-CE2 3.25Å; R397-F399 WeakPolarHBondContact O-CE2 3.4Å
398	L	85.9	Confident	89.9	Confident	37 Å²	37	70.2 Å²	70.2	19%	0.194	36%	0.357	C	S	.	.			trans	-76.2	157	175.7	-60.9	-176.6	0	0	0	111.5	Q392 R393 D396 W415 D416 K417	Q392-L398 CarbonylContact C-O 3.44Å; Q392-L398 WeakPolarHBondContact CA-O 3.34Å; R393-L398 PolarHBondContact N-O 2.8Å; D396-L398 HydrophobicContact CB-CG 4.25Å; D396-L398 PolarHBondContact O-N 3.42Å; D396-L398 VanDerWaalsContact O-N 3.08Å; D396-L398 PolarHBondContact OD1-N 2.97Å; D396-L398 VanDerWaalsContact OD2-CD1 3.25Å; D396-L398 WeakPolarHBondContact OD2-CD1 3.43Å; L398-W415 HydrophobicContact CB-CB 3.88Å; L398-W415 HydrophobicContact CB-CE3 4.25Å; L398-W415 HydrophobicContact CD1-CB 3.92Å; L398-D416 CarbonylContact C-O 3.57Å; L398-D416 WeakPolarHBondContact CA-O 3.28Å; L398-K417 HydrophobicContact CD2-CG 4.04Å
399	F	93.8	Very high	89.9	Confident	42 Å²	42	72 Å²	72	18%	0.184	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	143.8	-174	-62.4	-95.7	0	0	0	110.7	T390 V391 Q392 R397 D416 K417 S418 K419 A422	T390-F399 HydrophobicContact CG2-CB 4.01Å; T390-F399 HydrophobicContact CG2-CD1 4.01Å; V391-F399 CarbonylContact O-C 3.34Å; V391-F399 VanDerWaalsContact O-CA 3.3Å; V391-F399 WeakPolarHBondContact O-CA 3.4Å; Q392-F399 HydrophobicContact CB-CD1 4.01Å; Q392-F399 HydrophobicContact CB-CE1 3.91Å; Q392-F399 HydrophobicContact CG-CD1 4.18Å; Q392-F399 HydrophobicContact CG-CE1 3.89Å; Q392-F399 HydrophobicContact CG-CE2 4.42Å; Q392-F399 HydrophobicContact CG-CZ 4.04Å; R397-F399 WeakPolarHBondContact O-CD2 3.45Å; R397-F399 VanDerWaalsContact O-CE2 3.25Å; R397-F399 WeakPolarHBondContact O-CE2 3.4Å; F399-D416 PolarHBondContact N-O 3.04Å; F399-D416 PolarHBondContact O-N 3.4Å; F399-K417 WeakPolarHBondContact CE2-O 3.29Å; F399-S418 VanDerWaalsContact CD2-CA 3.46Å; F399-K419 HydrophobicContact CD1-CB 4.03Å; F399-K419 HydrophobicContact CE1-CB 4.24Å; F399-A422 HydrophobicContact CB-CB 3.9Å
400	S	94.1	Very high	89.9	Confident	4 Å²	4	67 Å²	67	3%	0.028	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	133.2	168.6	168.8	0	0	0	0	107.8	T390 V391 Q411	T390-S400 CarbonylContact C-O 3.59Å; T390-S400 WeakPolarHBondContact CA-O 3.39Å; T390-S400 WeakPolarHBondContact CG2-O 3.49Å; V391-S400 PolarHBondContact N-O 3.35Å; V391-S400 PolarHBondContact O-N 2.88Å; S400-Q411 PolarHBondContact OG-NE2 3.13Å
401	S	97.1	Very high	89.8	Confident	3 Å²	3	66.7 Å²	66.7	2%	0.021	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	140.5	178	-154.8	0	0	0	0	110.8	E389 T390 A422 A426	E389-S401 CarbonylContact O-C 3.58Å; E389-S401 VanDerWaalsContact O-CA 3.3Å; E389-S401 WeakPolarHBondContact O-CA 3.5Å; E389-S401 PolarHBondContact O-OG 3.3Å; T390-S401 PolarHBondContact OG1-OG 2.89Å; S401-A422 WeakPolarHBondContact CB-O 3.34Å; S401-A426 WeakPolarHBondContact O-CB 3.27Å
402	I	96.5	Very high	89.8	Confident	38 Å²	38	62.8 Å²	62.8	20%	0.195	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	135.3	164.6	-58.8	178.3	0	0	0	106.6	Y388 E389 K409 Y410 Q411	Y388-I402 WeakPolarHBondContact CA-O 3.32Å; E389-I402 PolarHBondContact N-O 3.05Å; E389-I402 PolarHBondContact O-N 3.24Å; I402-K409 HydrophobicContact CG2-CB 3.89Å; I402-K409 HydrophobicContact CG2-CD 4.22Å; I402-K409 HydrophobicContact CG2-CG 4.12Å; I402-Y410 WeakPolarHBondContact CA-O 3.4Å; I402-Q411 HydrophobicContact CG1-CB 4.07Å; I402-Q411 HydrophobicContact CG1-CG 3.91Å
403	V	97.6	Very high	89.5	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	133.8	168.5	66	0	0	0	0	109.4	L374 P386 V387 Y388 V405 K409 Y410 A426 C430	L374-V403 HydrophobicContact CD2-CG2 4.07Å; P386-V403 HydrophobicContact CB-CG2 3.76Å; V387-V403 CarbonylContact O-C 3.53Å; V387-V403 WeakPolarHBondContact O-CA 3.44Å; Y388-V403 HydrophobicContact CD1-CB 3.74Å; Y388-V403 HydrophobicContact CD1-CG2 3.86Å; Y388-V403 HydrophobicContact CD2-CG2 4.29Å; Y388-V403 HydrophobicContact CE1-CB 3.54Å; Y388-V403 HydrophobicContact CE1-CG1 4.45Å; Y388-V403 HydrophobicContact CE1-CG2 3.45Å; Y388-V403 VanDerWaalsContact CE1-CG2 3.45Å; Y388-V403 HydrophobicContact CE2-CG2 3.92Å; Y388-V403 HydrophobicContact CG-CB 4.47Å; Y388-V403 HydrophobicContact CG-CG2 4.26Å; Y388-V403 VanDerWaalsContact CZ-CG2 3.46Å; V403-V405 HydrophobicContact CG2-CG2 4.08Å; V403-K409 WeakPolarHBondContact O-CA 3.34Å; V403-Y410 HydrophobicContact CG1-CD2 4.26Å; V403-Y410 HydrophobicContact CG1-CG 4.48Å; V403-Y410 PolarHBondContact N-O 2.9Å; V403-Y410 PolarHBondContact O-N 3.41Å; V403-A426 HydrophobicContact CB-CB 4.11Å; V403-A426 HydrophobicContact CG1-CB 3.96Å; V403-A426 VanDerWaalsContact CG1-O 3.31Å; V403-A426 WeakPolarHBondContact CG1-O 3.31Å; V403-C430 HydrophobicContact CG1-CB 3.99Å
404	T	96.7	Very high	89.6	Confident	32 Å²	32	60.6 Å²	60.6	20%	0.196	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	125.1	175.9	-51.8	0	0	0	0	109.3	V387 Q408 K409	V387-T404 PolarHBondContact N-O 2.86Å; V387-T404 VanDerWaalsContact N-O 3.16Å; V387-T404 PolarHBondContact O-N 3.45Å; T404-Q408 CarbonylContact C-O 3.51Å; T404-Q408 WeakPolarHBondContact CA-O 3.25Å; T404-K409 HydrophobicContact CG2-CG 4.26Å
405	V	95.3	Very high	90.7	Very high	4 Å²	4	58.6 Å²	58.6	2%	0.024	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	128.2	176.2	-174	0	0	0	0	109.2	L374 W377 C378 L383 P386 V403 E407 Q408 Y410	L374-V405 HydrophobicContact CD1-CG2 4.43Å; L374-V405 HydrophobicContact CD2-CG2 4.18Å; W377-V405 HydrophobicContact CZ3-CG1 3.83Å; C378-V405 WeakPolarHBondContact SG-CG1 3.42Å; L383-V405 HydrophobicContact CD1-CG1 4.21Å; P386-V405 HydrophobicContact CB-CG2 3.88Å; P386-V405 HydrophobicContact CG-CG2 4.13Å; V403-V405 HydrophobicContact CG2-CG2 4.08Å; V405-E407 VanDerWaalsContact C-N 3.26Å; V405-E407 PolarHBondContact O-N 3.47Å; V405-Q408 PolarHBondContact N-O 3.26Å; V405-Q408 PolarHBondContact O-N 3.42Å; V405-Y410 HydrophobicContact CB-CE2 4.42Å
406	A	91	Very high	92	Very high	67 Å²	67	51 Å²	51	55%	0.554	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.1	47.5	-176.7	0	0	0	0	0	112.7	L383 Q408	L383-A406 HydrophobicContact CD1-CB 4.38Å; L383-A406 HydrophobicContact CD2-CB 4.21Å; A406-Q408 PolarHBondContact O-N 3.48Å
407	E	89.8	Confident	92.7	Very high	191 Å²	191	51 Å²	51	89%	0.893	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.5	-7.2	-177.3	-53.9	-175.3	166.7	0	0	115.9	V405	V405-E407 VanDerWaalsContact C-N 3.26Å; V405-E407 PolarHBondContact O-N 3.47Å
408	Q	93.8	Very high	93	Very high	50 Å²	50	44 Å²	44	23%	0.234	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	139.1	175.8	-170.7	56.4	47.9	0	0	111.8	G351 I353 T404 V405 A406 Y410	G351-Q408 PolarHBondContact O-NE2 3.02Å; I353-Q408 HydrophobicContact CD1-CG 3.85Å; T404-Q408 CarbonylContact C-O 3.51Å; T404-Q408 WeakPolarHBondContact CA-O 3.25Å; V405-Q408 PolarHBondContact N-O 3.26Å; V405-Q408 PolarHBondContact O-N 3.42Å; A406-Q408 PolarHBondContact O-N 3.48Å; Q408-Y410 HydrophobicContact CB-CE2 3.81Å; Q408-Y410 HydrophobicContact CG-CE1 4Å; Q408-Y410 HydrophobicContact CG-CE2 3.71Å; Q408-Y410 VanDerWaalsContact CG-OH 3.25Å; Q408-Y410 WeakPolarHBondContact CG-OH 3.35Å; Q408-Y410 WeakPolarHBondContact O-CE2 3.45Å
409	K	96.2	Very high	93.5	Very high	80 Å²	80	47.3 Å²	47.3	35%	0.348	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	139.2	-179.8	-69.1	-178.4	-179.4	-176	0	111.6	V352 I353 I402 V403 T404	V352-K409 HydrophobicContact CB-CB 4.4Å; V352-K409 HydrophobicContact CG1-CB 4.17Å; V352-K409 HydrophobicContact CG2-CB 3.97Å; V352-K409 HydrophobicContact CG2-CD 4.3Å; I353-K409 PolarHBondContact N-O 2.98Å; I402-K409 HydrophobicContact CG2-CB 3.89Å; I402-K409 HydrophobicContact CG2-CD 4.22Å; I402-K409 HydrophobicContact CG2-CG 4.12Å; V403-K409 WeakPolarHBondContact O-CA 3.34Å; T404-K409 HydrophobicContact CG2-CG 4.26Å
410	Y	96.1	Very high	93.5	Very high	6 Å²	6	53.3 Å²	53.3	2%	0.024	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	137.3	179.8	-51.6	-93.4	0	0	0	110.5	I353 I402 V403 V405 Q408 V429 C430 S433 Q434	I353-Y410 HydrophobicContact CB-CD1 3.75Å; I353-Y410 HydrophobicContact CB-CE1 4.12Å; I353-Y410 HydrophobicContact CD1-CD1 4.1Å; I353-Y410 HydrophobicContact CD1-CE1 3.54Å; I353-Y410 HydrophobicContact CG1-CD1 4.48Å; I353-Y410 HydrophobicContact CG1-CE1 4.38Å; I353-Y410 HydrophobicContact CG2-CD1 3.99Å; I353-Y410 HydrophobicContact CG2-CE1 4.37Å; I353-Y410 WeakPolarHBondContact O-CA 3.35Å; I402-Y410 WeakPolarHBondContact CA-O 3.4Å; V403-Y410 HydrophobicContact CG1-CD2 4.26Å; V403-Y410 HydrophobicContact CG1-CG 4.48Å; V403-Y410 PolarHBondContact N-O 2.9Å; V403-Y410 PolarHBondContact O-N 3.41Å; V405-Y410 HydrophobicContact CB-CE2 4.42Å; Q408-Y410 HydrophobicContact CB-CE2 3.81Å; Q408-Y410 HydrophobicContact CG-CE1 4Å; Q408-Y410 HydrophobicContact CG-CE2 3.71Å; Q408-Y410 VanDerWaalsContact CG-OH 3.25Å; Q408-Y410 WeakPolarHBondContact CG-OH 3.35Å; Q408-Y410 WeakPolarHBondContact O-CE2 3.45Å; Y410-V429 HydrophobicContact CD1-CG1 4.46Å; Y410-C430 HydrophobicContact CD1-CB 4.11Å; Y410-C430 HydrophobicContact CD2-CB 3.69Å; Y410-C430 VanDerWaalsContact CD2-SG 3.58Å; Y410-C430 HydrophobicContact CE2-CB 4.18Å; Y410-C430 WeakPolarHBondContact CE2-SG 3.35Å; Y410-C430 HydrophobicContact CG-CB 3.65Å; Y410-S433 VanDerWaalsContact CD1-OG 3.25Å; Y410-S433 WeakPolarHBondContact CD1-OG 3.49Å; Y410-S433 WeakPolarHBondContact CE1-OG 3.43Å; Y410-Q434 PolarHBondContact OH-NE2 3.4Å
411	Q	95.3	Very high	93.5	Very high	30 Å²	30	55.7 Å²	55.7	14%	0.14	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	140.5	-175.7	-173	-174.7	2.3	0	0	111.3	V352 I353 K354 M355 S400 I402	V352-Q411 HydrophobicContact CG1-CB 3.75Å; I353-Q411 PolarHBondContact O-N 3.18Å; K354-Q411 WeakPolarHBondContact CA-O 3.38Å; K354-Q411 HydrophobicContact CG-CB 4.24Å; M355-Q411 PolarHBondContact N-O 2.96Å; S400-Q411 PolarHBondContact OG-NE2 3.13Å; I402-Q411 HydrophobicContact CG1-CB 4.07Å; I402-Q411 HydrophobicContact CG1-CG 3.91Å
412	S	93.4	Very high	93.5	Very high	5 Å²	5	55.7 Å²	55.7	4%	0.035	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	138.6	164.5	-165.9	0	0	0	0	112.5	M355 V357 L414	M355-S412 WeakPolarHBondContact O-CA 3.35Å; M355-S412 PolarHBondContact O-OG 3.19Å; V357-S412 PolarHBondContact N-OG 3.25Å; V357-S412 PolarHBondContact O-OG 2.86Å; S412-L414 PolarHBondContact O-N 3.42Å; S412-L414 PolarHBondContact OG-N 2.79Å
413	T	89.9	Confident	93.5	Very high	70 Å²	70	55 Å²	55	43%	0.429	28%	0.275	S	S	.	.	S	Bend	trans	-72.9	-12.5	171.2	59.6	0	0	0	0	112.9	K354 M355 A356	K354-T413 HydrophobicContact CB-CG2 3.87Å; K354-T413 HydrophobicContact CD-CG2 4.41Å; K354-T413 HydrophobicContact CG-CG2 4.36Å; M355-T413 PolarHBondContact O-N 2.84Å; M355-T413 VanDerWaalsContact O-N 3.09Å; A356-T413 WeakPolarHBondContact CA-OG1 3.19Å; A356-T413 WeakPolarHBondContact CB-OG1 3.41Å; A356-T413 PolarHBondContact N-OG1 3.46Å
414	L	87.2	Confident	93.5	Very high	68 Å²	68	56.1 Å²	56.1	36%	0.356	28%	0.28	S	S	.	.	S	Bend	trans	-92.1	138.3	177.7	-56.8	-177.3	0	0	0	110.8	A356 K358 S412	A356-L414 HydrophobicContact CB-CD1 4.41Å; A356-L414 HydrophobicContact CB-CD2 4.46Å; A356-L414 HydrophobicContact CB-CG 4.23Å; K358-L414 HydrophobicContact CD-CD1 4.35Å; K358-L414 HydrophobicContact CG-CB 4.09Å; K358-L414 HydrophobicContact CG-CD1 3.85Å; S412-L414 PolarHBondContact O-N 3.42Å; S412-L414 PolarHBondContact OG-N 2.79Å
415	W	89.1	Confident	93.5	Very high	78 Å²	78	54.7 Å²	54.7	30%	0.295	27%	0.271	S	S	.	.			trans	-92.3	144.1	177.4	-68	71.6	0	0	0	111.1	V391 R393 L398	V391-W415 HydrophobicContact CG2-CH2 3.96Å; V391-W415 HydrophobicContact CG2-CZ3 4.15Å; R393-W415 HydrophobicContact CB-CE3 4.01Å; R393-W415 HydrophobicContact CB-CH2 4.07Å; R393-W415 HydrophobicContact CB-CZ3 3.62Å; L398-W415 HydrophobicContact CB-CB 3.88Å; L398-W415 HydrophobicContact CB-CE3 4.25Å; L398-W415 HydrophobicContact CD1-CB 3.92Å
416	D	92.5	Very high	93.5	Very high	9 Å²	9	54.5 Å²	54.5	5%	0.048	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-118.4	159.9	-171.3	-87.4	-59	0	0	0	113.6	L398 F399 S418 L421 A422 A425	L398-D416 CarbonylContact C-O 3.57Å; L398-D416 WeakPolarHBondContact CA-O 3.28Å; F399-D416 PolarHBondContact N-O 3.04Å; F399-D416 PolarHBondContact O-N 3.4Å; D416-S418 PolarHBondContact O-N 2.93Å; D416-L421 HydrophobicContact CB-CB 3.9Å; D416-A422 HydrophobicContact CB-CB 3.94Å; D416-A422 WeakPolarHBondContact OD2-CA 3.46Å; D416-A425 WeakPolarHBondContact OD2-CB 3.34Å
417	K	89.3	Confident	93.8	Very high	69 Å²	69	51.3 Å²	51.3	30%	0.3	24%	0.244	S	C	.	.	S	Bend	trans	-82.4	-14.1	-173.5	-59.5	179.2	-169.4	-172.6	0	114.7	P68 D69 D70 L398 F399	P68-K417 VanDerWaalsContact O-CD 3.24Å; P68-K417 WeakPolarHBondContact O-CD 3.42Å; P68-K417 WeakPolarHBondContact O-CE 3.48Å; P68-K417 PolarHBondContact O-NZ 3.38Å; D69-K417 VanDerWaalsContact CA-NZ 3.35Å; D70-K417 IonicContact OD1-NZ 3.37Å; D70-K417 PolarHBondContact OD1-NZ 3.12Å; D70-K417 WeakPolarHBondContact OD2-CE 3.46Å; D70-K417 IonicContact OD2-NZ 3.63Å; D70-K417 PolarHBondContact OD2-NZ 2.7Å; L398-K417 HydrophobicContact CD2-CG 4.04Å; F399-K417 WeakPolarHBondContact CE2-O 3.29Å
418	S	93.4	Very high	94.1	Very high	40 Å²	40	42.2 Å²	42.2	28%	0.28	20%	0.201	S	C	.	.	S	Bend	trans	-144.6	152.8	176.9	74.7	0	0	0	0	110.3	F399 D416 K420 L421 A422	F399-S418 VanDerWaalsContact CD2-CA 3.46Å; D416-S418 PolarHBondContact O-N 2.93Å; S418-K420 PolarHBondContact O-N 3.47Å; S418-L421 PolarHBondContact O-N 2.99Å; S418-L421 VanDerWaalsContact O-N 3.12Å; S418-L421 WeakPolarHBondContact OG-CG 3.2Å; S418-L421 PolarHBondContact OG-N 3.03Å; S418-A422 PolarHBondContact O-N 3.02Å; S418-A422 VanDerWaalsContact O-N 3.09Å
419	K	95.2	Very high	94.2	Very high	108 Å²	108	39.8 Å²	39.8	47%	0.47	19%	0.19	S	C	.	.	H	α-helix	trans	-49.9	-42.9	171.7	174.4	168.5	179.3	176.1	0	112.2	T390 F399 L421 A422 E423	T390-K419 HydrophobicContact CG2-CB 4.32Å; T390-K419 HydrophobicContact CG2-CG 4.03Å; F399-K419 HydrophobicContact CD1-CB 4.03Å; F399-K419 HydrophobicContact CE1-CB 4.24Å; K419-L421 PolarHBondContact O-N 3.45Å; K419-A422 PolarHBondContact O-N 2.73Å; K419-E423 WeakPolarHBondContact CE-OE1 3.37Å; K419-E423 HydrophobicContact CG-CG 4.37Å; K419-E423 IonicContact NZ-OE1 2.79Å; K419-E423 VanDerWaalsContact O-CG 3.31Å; K419-E423 WeakPolarHBondContact O-CG 3.42Å; K419-E423 PolarHBondContact O-N 2.86Å
420	K	94.9	Very high	94.1	Very high	168 Å²	168	36 Å²	36	73%	0.73	17%	0.173	S	C	*	.	H	α-helix	trans	-60.5	-43.5	180	-69.6	-176.5	-180	179.4	0	112.4	S418 Q424	S418-K420 PolarHBondContact O-N 3.47Å; K420-Q424 VanDerWaalsContact O-CG 3.26Å; K420-Q424 WeakPolarHBondContact O-CG 3.38Å; K420-Q424 PolarHBondContact O-N 3.3Å
421	L	94.2	Very high	94	Very high	54 Å²	54	35.8 Å²	35.8	28%	0.283	17%	0.173	S	C	.	.	H	α-helix	trans	-68.1	-43.6	179.3	-65.6	173	0	0	0	111.1	F359 D416 S418 K419 E423 Q424 A425	F359-L421 HydrophobicContact CD1-CD2 3.62Å; F359-L421 HydrophobicContact CE1-CD2 4.21Å; D416-L421 HydrophobicContact CB-CB 3.9Å; S418-L421 PolarHBondContact O-N 2.99Å; S418-L421 VanDerWaalsContact O-N 3.12Å; S418-L421 WeakPolarHBondContact OG-CG 3.2Å; S418-L421 PolarHBondContact OG-N 3.03Å; K419-L421 PolarHBondContact O-N 3.45Å; L421-E423 VanDerWaalsContact C-N 3.32Å; L421-E423 PolarHBondContact O-N 3.45Å; L421-Q424 WeakPolarHBondContact O-CB 3.24Å; L421-Q424 PolarHBondContact O-N 3.17Å; L421-Q424 VanDerWaalsContact O-N 3.09Å; L421-A425 PolarHBondContact O-N 2.93Å
422	A	95.4	Very high	93.9	Very high	3 Å²	3	38.9 Å²	38.9	3%	0.025	18%	0.183	C	C	.	.	H	α-helix	trans	-59.8	-41.2	178.3	0	0	0	0	0	112.4	T390 F399 S401 D416 S418 K419 A425 A426	T390-A422 HydrophobicContact CG2-CB 4.36Å; F399-A422 HydrophobicContact CB-CB 3.9Å; S401-A422 WeakPolarHBondContact CB-O 3.34Å; D416-A422 HydrophobicContact CB-CB 3.94Å; D416-A422 WeakPolarHBondContact OD2-CA 3.46Å; S418-A422 PolarHBondContact O-N 3.02Å; S418-A422 VanDerWaalsContact O-N 3.09Å; K419-A422 PolarHBondContact O-N 2.73Å; A422-A425 PolarHBondContact O-N 3.44Å; A422-A426 PolarHBondContact O-N 3.32Å
423	E	97.7	Very high	93.7	Very high	24 Å²	24	40.3 Å²	40.3	11%	0.112	19%	0.193	C	C	.	.	H	α-helix	trans	-66.4	-36.6	175.7	-69	173.1	167.2	0	0	112.1	K371 Y388 K419 L421 A427	K371-E423 HydrophobicContact CD-CB 3.71Å; K371-E423 IonicContact NZ-OE2 3.6Å; K371-E423 PolarHBondContact NZ-OE2 3.23Å; Y388-E423 HydrophobicContact CD1-CB 3.76Å; Y388-E423 HydrophobicContact CD1-CG 3.81Å; Y388-E423 HydrophobicContact CE1-CB 4.03Å; Y388-E423 VanDerWaalsContact CE1-O 3.25Å; Y388-E423 WeakPolarHBondContact CE1-O 3.44Å; Y388-E423 HydrophobicContact CG-CB 4.39Å; Y388-E423 HydrophobicContact CG-CG 4.08Å; K419-E423 WeakPolarHBondContact CE-OE1 3.37Å; K419-E423 HydrophobicContact CG-CG 4.37Å; K419-E423 IonicContact NZ-OE1 2.79Å; K419-E423 VanDerWaalsContact O-CG 3.31Å; K419-E423 WeakPolarHBondContact O-CG 3.42Å; K419-E423 PolarHBondContact O-N 2.86Å; L421-E423 VanDerWaalsContact C-N 3.32Å; L421-E423 PolarHBondContact O-N 3.45Å; E423-A427 WeakPolarHBondContact O-CB 3.44Å; E423-A427 PolarHBondContact O-N 3.07Å
424	Q	97.6	Very high	93.6	Very high	23 Å²	23	41.2 Å²	41.2	11%	0.107	19%	0.193	C	C	.	.	H	α-helix	trans	-66.3	-43.3	174.2	-63.4	-71.1	-8.4	0	0	111.2	F359 T369 P370 K371 K420 L421 A426 A427 I428	F359-Q424 HydrophobicContact CB-CB 3.62Å; F359-Q424 HydrophobicContact CD1-CB 3.94Å; F359-Q424 HydrophobicContact CD1-CG 4.09Å; F359-Q424 HydrophobicContact CD2-CB 3.83Å; F359-Q424 HydrophobicContact CD2-CG 4.37Å; F359-Q424 HydrophobicContact CE1-CG 4.3Å; F359-Q424 HydrophobicContact CE2-CB 4.48Å; F359-Q424 HydrophobicContact CG-CB 3.5Å; F359-Q424 VanDerWaalsContact CG-CB 3.5Å; F359-Q424 HydrophobicContact CG-CG 4.11Å; T369-Q424 PolarHBondContact OG1-NE2 2.69Å; P370-Q424 VanDerWaalsContact CD-OE1 3.24Å; K371-Q424 HydrophobicContact CD-CG 4.35Å; K371-Q424 VanDerWaalsContact CG-CD 3.5Å; K371-Q424 HydrophobicContact CG-CG 4.27Å; K420-Q424 VanDerWaalsContact O-CG 3.26Å; K420-Q424 WeakPolarHBondContact O-CG 3.38Å; K420-Q424 PolarHBondContact O-N 3.3Å; L421-Q424 WeakPolarHBondContact O-CB 3.24Å; L421-Q424 PolarHBondContact O-N 3.17Å; L421-Q424 VanDerWaalsContact O-N 3.09Å; Q424-A426 PolarHBondContact O-N 3.36Å; Q424-A427 WeakPolarHBondContact O-CB 3.27Å; Q424-A427 PolarHBondContact O-N 3.21Å; Q424-I428 WeakPolarHBondContact O-CG1 3.41Å; Q424-I428 PolarHBondContact O-N 2.91Å
425	A	95.4	Very high	93.6	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.008	21%	0.21	C	C	.	.	H	α-helix	trans	-59.9	-44.8	176.1	0	0	0	0	0	111.8	D416 L421 A422 A427 I428 V429	D416-A425 WeakPolarHBondContact OD2-CB 3.34Å; L421-A425 PolarHBondContact O-N 2.93Å; A422-A425 PolarHBondContact O-N 3.44Å; A425-A427 VanDerWaalsContact C-N 3.34Å; A425-A427 PolarHBondContact O-N 3.48Å; A425-I428 WeakPolarHBondContact O-CB 3.46Å; A425-I428 PolarHBondContact O-N 2.71Å; A425-V429 WeakPolarHBondContact O-CG2 3.35Å; A425-V429 PolarHBondContact O-N 3.21Å; A425-V429 VanDerWaalsContact O-N 3.13Å
426	A	96.4	Very high	93.6	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-61.4	-41.1	175.3	0	0	0	0	0	112.4	Y388 S401 V403 A422 Q424 I428 V429 C430	Y388-A426 HydrophobicContact CE1-CB 4.48Å; S401-A426 WeakPolarHBondContact O-CB 3.27Å; V403-A426 HydrophobicContact CB-CB 4.11Å; V403-A426 HydrophobicContact CG1-CB 3.96Å; V403-A426 VanDerWaalsContact CG1-O 3.31Å; V403-A426 WeakPolarHBondContact CG1-O 3.31Å; A422-A426 PolarHBondContact O-N 3.32Å; Q424-A426 PolarHBondContact O-N 3.36Å; A426-I428 VanDerWaalsContact C-N 3.31Å; A426-I428 PolarHBondContact O-N 3.28Å; A426-V429 PolarHBondContact O-N 3.37Å; A426-C430 PolarHBondContact O-N 3.44Å; A426-C430 VanDerWaalsContact O-N 3.17Å
427	A	97.1	Very high	93.4	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-61.8	-39.1	175.5	0	0	0	0	0	112.3	P370 K371 L374 Y388 E423 Q424 A425 C430 L431	P370-A427 HydrophobicContact CB-CB 4.13Å; K371-A427 HydrophobicContact CG-CB 3.97Å; L374-A427 HydrophobicContact CB-CB 4.41Å; L374-A427 HydrophobicContact CD2-CB 3.93Å; Y388-A427 HydrophobicContact CE1-CB 4.41Å; Y388-A427 WeakPolarHBondContact OH-CB 3.24Å; E423-A427 WeakPolarHBondContact O-CB 3.44Å; E423-A427 PolarHBondContact O-N 3.07Å; Q424-A427 WeakPolarHBondContact O-CB 3.27Å; Q424-A427 PolarHBondContact O-N 3.21Å; A425-A427 VanDerWaalsContact C-N 3.34Å; A425-A427 PolarHBondContact O-N 3.48Å; A427-C430 PolarHBondContact O-N 3.29Å; A427-L431 WeakPolarHBondContact O-CG 3.32Å; A427-L431 PolarHBondContact O-N 3.16Å
428	I	95.9	Very high	93.4	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-61.6	-44.1	174.9	-66.2	164.3	0	0	0	111.1	V357 F359 Y364 P370 Q424 A425 A426 C430 L431 R432 E438	V357-I428 HydrophobicContact CG1-CB 3.84Å; V357-I428 HydrophobicContact CG1-CD1 3.86Å; V357-I428 HydrophobicContact CG1-CG1 4.47Å; V357-I428 HydrophobicContact CG1-CG2 3.47Å; V357-I428 VanDerWaalsContact CG1-CG2 3.47Å; V357-I428 HydrophobicContact CG2-CG2 4.42Å; F359-I428 HydrophobicContact CB-CD1 4.15Å; F359-I428 HydrophobicContact CD2-CD1 4.24Å; Y364-I428 WeakPolarHBondContact OH-CD1 3.32Å; P370-I428 HydrophobicContact CB-CD1 4.47Å; P370-I428 HydrophobicContact CB-CG1 3.58Å; P370-I428 HydrophobicContact CG-CD1 3.93Å; P370-I428 HydrophobicContact CG-CG1 3.49Å; P370-I428 VanDerWaalsContact CG-CG1 3.49Å; Q424-I428 WeakPolarHBondContact O-CG1 3.41Å; Q424-I428 PolarHBondContact O-N 2.91Å; A425-I428 WeakPolarHBondContact O-CB 3.46Å; A425-I428 PolarHBondContact O-N 2.71Å; A426-I428 VanDerWaalsContact C-N 3.31Å; A426-I428 PolarHBondContact O-N 3.28Å; I428-C430 VanDerWaalsContact C-N 3.27Å; I428-C430 PolarHBondContact O-N 2.68Å; I428-L431 PolarHBondContact O-N 3.13Å; I428-R432 HydrophobicContact CG2-CG 4.05Å; I428-R432 VanDerWaalsContact CG2-NE 3.25Å; I428-R432 WeakPolarHBondContact O-CB 3.37Å; I428-R432 WeakPolarHBondContact O-CG 3.49Å; I428-R432 PolarHBondContact O-N 2.7Å; I428-E438 WeakPolarHBondContact CG2-OE2 3.39Å
429	V	95.1	Very high	93	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-58.7	-43.1	178.3	-179.3	0	0	0	0	110.9	I353 M355 V357 Y410 A425 A426 S433	I353-V429 HydrophobicContact CG2-CG1 4.4Å; M355-V429 HydrophobicContact CB-CG1 3.97Å; M355-V429 HydrophobicContact CB-CG2 4.07Å; M355-V429 HydrophobicContact CE-CG2 4.36Å; V357-V429 HydrophobicContact CB-CG2 4.25Å; V357-V429 HydrophobicContact CG2-CG2 3.92Å; Y410-V429 HydrophobicContact CD1-CG1 4.46Å; A425-V429 WeakPolarHBondContact O-CG2 3.35Å; A425-V429 PolarHBondContact O-N 3.21Å; A425-V429 VanDerWaalsContact O-N 3.13Å; A426-V429 PolarHBondContact O-N 3.37Å; V429-S433 VanDerWaalsContact O-CB 3.32Å; V429-S433 WeakPolarHBondContact O-CB 3.44Å; V429-S433 PolarHBondContact O-N 2.86Å; V429-S433 PolarHBondContact O-OG 2.88Å
430	C	95.5	Very high	92.6	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-61.9	-50.4	175	-174.2	0	0	0	0	112.3	L374 V403 Y410 A426 A427 I428 R432 S433 Q434	L374-C430 HydrophobicContact CD1-CB 4.19Å; L374-C430 VanDerWaalsContact CD1-SG 3.55Å; L374-C430 HydrophobicContact CD2-CB 3.97Å; V403-C430 HydrophobicContact CG1-CB 3.99Å; Y410-C430 HydrophobicContact CD1-CB 4.11Å; Y410-C430 HydrophobicContact CD2-CB 3.69Å; Y410-C430 VanDerWaalsContact CD2-SG 3.58Å; Y410-C430 HydrophobicContact CE2-CB 4.18Å; Y410-C430 WeakPolarHBondContact CE2-SG 3.35Å; Y410-C430 HydrophobicContact CG-CB 3.65Å; A426-C430 PolarHBondContact O-N 3.44Å; A426-C430 VanDerWaalsContact O-N 3.17Å; A427-C430 PolarHBondContact O-N 3.29Å; I428-C430 VanDerWaalsContact C-N 3.27Å; I428-C430 PolarHBondContact O-N 2.68Å; C430-R432 PolarHBondContact O-N 2.75Å; C430-S433 PolarHBondContact O-N 3.24Å; C430-S433 PolarHBondContact O-OG 3.03Å; C430-Q434 WeakPolarHBondContact O-CB 3.46Å; C430-Q434 VanDerWaalsContact O-CG 3.26Å; C430-Q434 WeakPolarHBondContact O-CG 3.18Å; C430-Q434 PolarHBondContact O-N 3.37Å; C430-Q434 VanDerWaalsContact O-N 3.15Å
431	L	94.6	Very high	91.8	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.01	19%	0.191	C	C	.	.	H	α-helix	trans	-61.5	-46.7	-178.4	-71.2	167.1	0	0	0	112.3	P370 C373 L374 A427 I428 Q434 G435 L436 E438	P370-L431 HydrophobicContact CB-CD1 4.28Å; P370-L431 WeakPolarHBondContact O-CD1 3.29Å; C373-L431 HydrophobicContact CB-CD1 3.95Å; L374-L431 HydrophobicContact CB-CD1 4.16Å; L374-L431 HydrophobicContact CB-CD2 4.13Å; L374-L431 HydrophobicContact CB-CG 4.13Å; L374-L431 HydrophobicContact CD1-CD2 3.91Å; L374-L431 HydrophobicContact CD1-CG 4.15Å; A427-L431 WeakPolarHBondContact O-CG 3.32Å; A427-L431 PolarHBondContact O-N 3.16Å; I428-L431 PolarHBondContact O-N 3.13Å; L431-Q434 CarbonylContact O-C 3.45Å; L431-Q434 PolarHBondContact O-N 2.91Å; L431-G435 PolarHBondContact O-N 3.09Å; L431-G435 VanDerWaalsContact O-N 3.12Å; L431-L436 HydrophobicContact CB-CB 4.38Å; L431-L436 HydrophobicContact CD2-CB 3.82Å; L431-L436 HydrophobicContact CD2-CD1 4.01Å; L431-L436 PolarHBondContact O-N 2.99Å; L431-E438 HydrophobicContact CD1-CB 4.11Å
432	R	93	Very high	90.7	Very high	94 Å²	94	37 Å²	37	36%	0.355	22%	0.221	S	C	.	.	H	α-helix	trans	-66.7	-41.3	-179.8	-75	179.8	-175.1	-179.9	9.1	113.3	M355 I428 C430 Q434 G435 E438	M355-R432 HydrophobicContact CE-CB 3.62Å; M355-R432 HydrophobicContact CE-CG 4.12Å; I428-R432 HydrophobicContact CG2-CG 4.05Å; I428-R432 VanDerWaalsContact CG2-NE 3.25Å; I428-R432 WeakPolarHBondContact O-CB 3.37Å; I428-R432 WeakPolarHBondContact O-CG 3.49Å; I428-R432 PolarHBondContact O-N 2.7Å; C430-R432 PolarHBondContact O-N 2.75Å; R432-Q434 PolarHBondContact O-N 3.47Å; R432-G435 PolarHBondContact O-N 3.39Å; R432-E438 IonicContact CZ-OE1 3.58Å; R432-E438 IonicContact CZ-OE2 2.75Å; R432-E438 IonicContact NE-OE1 3.39Å; R432-E438 IonicContact NE-OE2 2.79Å; R432-E438 PolarHBondContact NE-OE2 2.99Å; R432-E438 IonicContact NH2-OE1 2.68Å; R432-E438 PolarHBondContact NH2-OE1 2.79Å; R432-E438 IonicContact NH2-OE2 3.5Å; R432-E438 PolarHBondContact NH2-OE2 3.11Å; R432-E438 VanDerWaalsContact NH2-OE2 3.14Å
433	S	88.6	Confident	89.7	Confident	35 Å²	35	40.1 Å²	40.1	25%	0.245	24%	0.235	C	C	.	.	H	α-helix	trans	-65.1	-25.2	176.5	53.7	0	0	0	0	112.6	Y410 V429 C430	Y410-S433 VanDerWaalsContact CD1-OG 3.25Å; Y410-S433 WeakPolarHBondContact CD1-OG 3.49Å; Y410-S433 WeakPolarHBondContact CE1-OG 3.43Å; V429-S433 VanDerWaalsContact O-CB 3.32Å; V429-S433 WeakPolarHBondContact O-CB 3.44Å; V429-S433 PolarHBondContact O-N 2.86Å; V429-S433 PolarHBondContact O-OG 2.88Å; C430-S433 PolarHBondContact O-N 3.24Å; C430-S433 PolarHBondContact O-OG 3.03Å
434	Q	87.6	Confident	87.8	Confident	90 Å²	90	47.8 Å²	47.8	42%	0.421	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	0.7	173.3	-63.7	-65.7	-22.5	0	0	113.3	W377 Y410 C430 L431 R432 L436	W377-Q434 HydrophobicContact CH2-CG 4.44Å; Y410-Q434 PolarHBondContact OH-NE2 3.4Å; C430-Q434 WeakPolarHBondContact O-CB 3.46Å; C430-Q434 VanDerWaalsContact O-CG 3.26Å; C430-Q434 WeakPolarHBondContact O-CG 3.18Å; C430-Q434 PolarHBondContact O-N 3.37Å; C430-Q434 VanDerWaalsContact O-N 3.15Å; L431-Q434 CarbonylContact O-C 3.45Å; L431-Q434 PolarHBondContact O-N 2.91Å; R432-Q434 PolarHBondContact O-N 3.47Å; Q434-L436 VanDerWaalsContact C-N 3.27Å; Q434-L436 HydrophobicContact CB-CD1 3.6Å; Q434-L436 HydrophobicContact CB-CG 3.82Å; Q434-L436 HydrophobicContact CG-CD1 4.45Å; Q434-L436 PolarHBondContact O-N 3.22Å
435	G	88.1	Confident	85.6	Confident	70 Å²	70	50.6 Å²	50.6	72%	0.722	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.8	26.2	-177	0	0	0	0	0	114.4	L431 R432	L431-G435 PolarHBondContact O-N 3.09Å; L431-G435 VanDerWaalsContact O-N 3.12Å; R432-G435 PolarHBondContact O-N 3.39Å
436	L	88	Confident	83.5	Confident	44 Å²	44	52.1 Å²	52.1	23%	0.23	30%	0.302	C	S	.	.			trans	-98.7	149.8	-175.6	-62.3	168	0	0	0	112	W377 L431 Q434	W377-L436 HydrophobicContact CD2-CD1 3.45Å; W377-L436 VanDerWaalsContact CD2-CD1 3.45Å; W377-L436 HydrophobicContact CE3-CD1 4.07Å; W377-L436 HydrophobicContact CG-CD1 3.64Å; W377-L436 HydrophobicContact CH2-CD1 4.38Å; W377-L436 HydrophobicContact CZ2-CD1 3.84Å; W377-L436 HydrophobicContact CZ3-CD1 4.47Å; L431-L436 HydrophobicContact CB-CB 4.38Å; L431-L436 HydrophobicContact CD2-CB 3.82Å; L431-L436 HydrophobicContact CD2-CD1 4.01Å; L431-L436 PolarHBondContact O-N 2.99Å; Q434-L436 VanDerWaalsContact C-N 3.27Å; Q434-L436 HydrophobicContact CB-CD1 3.6Å; Q434-L436 HydrophobicContact CB-CG 3.82Å; Q434-L436 HydrophobicContact CG-CD1 4.45Å; Q434-L436 PolarHBondContact O-N 3.22Å
437	P	87.5	Confident	81.1	Confident	59 Å²	59	56.2 Å²	56.2	38%	0.383	33%	0.331	S	S	.	.			trans	-65.1	138.8	175.5	26.7	-33.5	0	0	0	111.6
438	E	90.6	Very high	78.9	Confident	6 Å²	6	59.7 Å²	59.7	3%	0.028	35%	0.35	C	S	.	.			trans	-97.9	-1.1	-179.6	61.8	-179.8	-134.7	0	0	113.6	Y364 I428 L431 R432 R440 E443	Y364-E438 HydrophobicContact CE1-CB 4.37Å; Y364-E438 HydrophobicContact CE1-CG 4Å; Y364-E438 WeakPolarHBondContact CE1-O 3.43Å; Y364-E438 PolarHBondContact OH-OE1 3.28Å; I428-E438 WeakPolarHBondContact CG2-OE2 3.39Å; L431-E438 HydrophobicContact CD1-CB 4.11Å; R432-E438 IonicContact CZ-OE1 3.58Å; R432-E438 IonicContact CZ-OE2 2.75Å; R432-E438 IonicContact NE-OE1 3.39Å; R432-E438 IonicContact NE-OE2 2.79Å; R432-E438 PolarHBondContact NE-OE2 2.99Å; R432-E438 IonicContact NH2-OE1 2.68Å; R432-E438 PolarHBondContact NH2-OE1 2.79Å; R432-E438 IonicContact NH2-OE2 3.5Å; R432-E438 PolarHBondContact NH2-OE2 3.11Å; R432-E438 VanDerWaalsContact NH2-OE2 3.14Å; E438-R440 HydrophobicContact CG-CB 4.2Å; E438-R440 IonicContact OE1-NE 3.78Å; E438-E443 PolarHBondContact N-OE2 3.42Å
439	G	85.3	Confident	76.1	Confident	3 Å²	3	67.4 Å²	67.4	3%	0.031	39%	0.385	C	S	.	.			trans	81.9	27.6	-179.6	0	0	0	0	0	112.7	Y364 P365 E443	Y364-G439 WeakPolarHBondContact CD1-O 3.27Å; P365-G439 WeakPolarHBondContact CD-O 3.47Å; G439-E443 PolarHBondContact N-OE2 3.42Å
440	R	86.6	Confident	73.1	Confident	122 Å²	122	77 Å²	77	46%	0.46	43%	0.427	S	S	.	.			trans	-68.5	154	180	-140.8	174	-161.6	-166.2	1.7	110.7	A363 Y364 E438 G442 E443	A363-R440 HydrophobicContact CB-CG 4.26Å; A363-R440 VanDerWaalsContact O-CG 3.27Å; A363-R440 WeakPolarHBondContact O-CG 3.38Å; Y364-R440 HydrophobicContact CE1-CB 4.35Å; Y364-R440 HydrophobicContact CE1-CG 4.24Å; E438-R440 HydrophobicContact CG-CB 4.2Å; E438-R440 IonicContact OE1-NE 3.78Å; R440-G442 PolarHBondContact O-N 2.89Å; R440-G442 VanDerWaalsContact O-N 3.15Å; R440-E443 HydrophobicContact CB-CG 4.05Å; R440-E443 PolarHBondContact N-OE2 2.71Å; R440-E443 PolarHBondContact O-N 3.11Å
441	L	77.4	Confident	70.2	Confident	112 Å²	112	88.8 Å²	88.8	59%	0.586	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	120.8	172.7	-73.1	167.4	0	0	0	109.7	R362 A363 P365	R362-L441 WeakPolarHBondContact O-CD1 3.42Å; A363-L441 PolarHBondContact O-N 3.21Å; P365-L441 HydrophobicContact CG-CD2 3.86Å
442	G	71.4	Confident	67.1	Low	88 Å²	88	98.2 Å²	98.2	91%	0.907	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.5	-9.3	-177.5	0	0	0	0	0	115.4	R440	R440-G442 PolarHBondContact O-N 2.89Å; R440-G442 VanDerWaalsContact O-N 3.15Å
443	E	75	Confident	64.1	Low	69 Å²	69	105.7 Å²	105.7	32%	0.322	54%	0.54	S	S	.	.	S	Bend	trans	-81	143.6	170.4	-67.7	178.2	172.8	0	0	110.9	E438 G439 R440 S445	E438-E443 PolarHBondContact N-OE2 3.42Å; G439-E443 PolarHBondContact N-OE2 3.42Å; R440-E443 HydrophobicContact CB-CG 4.05Å; R440-E443 PolarHBondContact N-OE2 2.71Å; R440-E443 PolarHBondContact O-N 3.11Å; E443-S445 PolarHBondContact O-N 3.32Å; E443-S445 VanDerWaalsContact O-N 3.11Å
444	E	57.1	Low	61.2	Low	186 Å²	186	113 Å²	113	87%	0.869	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-59.3	117.7	170.3	-72.7	-168	163.2	0	0	109.2
445	S	52.2	Low	58.6	Low	81 Å²	81	113.1 Å²	113.1	57%	0.566	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-64.6	132.9	-174.8	-71.3	0	0	0	0	110.7	E443 S447	E443-S445 PolarHBondContact O-N 3.32Å; E443-S445 VanDerWaalsContact O-N 3.11Å; S445-S447 PolarHBondContact O-N 2.93Å
446	P	50.8	Low	55.9	Low	33 Å²	33	115.9 Å²	115.9	21%	0.214	59%	0.592	C	S	.	*	P	Polyproline II helix	trans	-58.1	131.1	164	-9	19.5	0	0	0	107.9	L448	P446-L448 VanDerWaalsContact C-N 3.31Å; P446-L448 PolarHBondContact O-N 2.81Å
447	S	46.5	Very low	53.2	Low	86 Å²	86	121.7 Å²	121.7	60%	0.601	62%	0.624	S	S	*	*			trans	-60.9	86.7	-179.5	57.4	0	0	0	0	111.5	S445 H449	S445-S447 PolarHBondContact O-N 2.93Å; S447-H449 VanDerWaalsContact C-N 3.26Å; S447-H449 PolarHBondContact O-N 2.65Å
448	L	49.8	Very low	50.6	Low	74 Å²	74	128.1 Å²	128.1	39%	0.387	65%	0.649	S	S	.	*			trans	-79	73.1	175.3	-70.1	167.5	0	0	0	109.2	I368 E376 P446 K450	I368-L448 HydrophobicContact CD1-CD1 4.44Å; I368-L448 HydrophobicContact CG1-CD1 4.23Å; E376-L448 HydrophobicContact CB-CD2 4.43Å; E376-L448 HydrophobicContact CG-CD2 4.09Å; P446-L448 VanDerWaalsContact C-N 3.31Å; P446-L448 PolarHBondContact O-N 2.81Å; L448-K450 PolarHBondContact O-N 3.24Å
449	H	37.1	Very low	47.7	Very low	162 Å²	162	135.3 Å²	135.3	75%	0.75	69%	0.687	S	S	*	*			trans	-70.8	116.6	174.7	-71.6	-62.8	0	0	0	110.7	S447 R451	S447-H449 VanDerWaalsContact C-N 3.26Å; S447-H449 PolarHBondContact O-N 2.65Å; H449-R451 PolarHBondContact O-N 3.39Å
450	K	32.3	Very low	46	Very low	201 Å²	201	140.6 Å²	140.6	87%	0.874	72%	0.721	S	S	*	*			trans	-60.4	114.8	165.9	-79.5	178.9	175.6	174.8	0	109.5	L448	L448-K450 PolarHBondContact O-N 3.24Å
451	R	34.5	Very low	43.2	Very low	247 Å²	247	138.6 Å²	138.6	93%	0.932	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-81.7	126.7	163.4	-78.9	-170.7	-173.3	-173.9	2.6	110.7	H449	H449-R451 PolarHBondContact O-N 3.39Å
452	K	30.1	Very low	40.8	Very low	201 Å²	201	136.9 Å²	136.9	87%	0.874	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-60.3	133.6	166	-142.2	175.3	-178.6	-176.6	0	107.8	E454	K452-E454 PolarHBondContact O-N 3.49Å
453	R	29.1	Very low	39.4	Very low	250 Å²	250	138.3 Å²	138.3	94%	0.943	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-63.5	116.4	171.6	-94.1	178.3	170	171.5	-4.5	108.6
454	E	28.8	Very low	37.1	Very low	190 Å²	190	146.5 Å²	146.5	89%	0.888	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-80.3	129.5	163	-74.7	172.1	166.7	0	0	108.3	K452	K452-E454 PolarHBondContact O-N 3.49Å
455	A	31.4	Very low	35.8	Very low	92 Å²	92	141.9 Å²	141.9	76%	0.76	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-83.3	151	172.6	0	0	0	0	0	109.5
456	P	33.3	Very low	34.8	Very low	128 Å²	128	146.7 Å²	146.7	83%	0.831	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-76.5	143.5	-176.9	-4.7	22.3	0	0	0	112.1
457	D	30.6	Very low	33.6	Very low	166 Å²	166	154.6 Å²	154.6	89%	0.888	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-47.5	135.3	172.6	-87.5	-38.5	0	0	0	114.1
458	Q	31.6	Very low	32.7	Very low	194 Å²	194	158.9 Å²	158.9	91%	0.907	83%	0.825	S	S	*	*			trans	-130.4	121.3	150.8	-73.7	-168.8	-1.6	0	0	109
459	D	31.6	Very low	31.6	Very low	157 Å²	157	160.1 Å²	160.1	84%	0.84	85%	0.846	S	S	*	*			trans	-78.9	173.3	177.6	-144.3	14.4	0	0	0	111
460	P	48.3	Very low	31.2	Very low	114 Å²	114	161.7 Å²	161.7	74%	0.74	85%	0.854	S	S	*	*				-120.6	159.7	-118.8	32.6	-10.8	0	0	0	113.4
461	G	28	Very low	31.2	Very low	80 Å²	80	158 Å²	158	83%	0.825	85%	0.85	S	S	*	*			trans	177.1	86.9	170.9	0	0	0	0	0	117.5
462	G	27.8	Very low	30.9	Very low	75 Å²	75	149.8 Å²	149.8	77%	0.773	84%	0.842	S	S	*	*			trans	71.3	156.6	138.7	0	0	0	0	0	120.6
463	P	41.4	Very low	30.8	Very low	118 Å²	118	149.4 Å²	149.4	77%	0.766	84%	0.844	S	S	*	*			trans	-123	173.9	-133.4	38.9	-25.6	0	0	0	116.8
464	R	27.6	Very low	30.9	Very low	242 Å²	242	145.8 Å²	145.8	91%	0.913	84%	0.842	S	S	*	*			trans	104	140.1	160.8	-65.8	178.4	173.3	-173.1	-2.1	114.8
465	A	28.8	Very low	30.8	Very low	89 Å²	89	142.3 Å²	142.3	74%	0.736	84%	0.838	S	S	*	*			cis	-160.4	167.7	-2.6	0	0	0	0	0	109.5
466	Q	30.6	Very low	30.8	Very low	181 Å²	181	147.4 Å²	147.4	85%	0.846	84%	0.843	S	S	*	*			trans	-33	144.9	175.4	-67.2	153.5	-36.3	0	0	117.6
467	E	27.4	Very low	30.6	Very low	199 Å²	199	150.9 Å²	150.9	93%	0.93	85%	0.845	S	S	*	*				-171	141.2	112	-106	174.7	171.7	0	0	113.1
468	L	27.3	Very low	30.7	Very low	177 Å²	177	148.6 Å²	148.6	93%	0.927	84%	0.839	S	S	*	*			trans	-102.1	131.4	175.8	-91.8	149.6	0	0	0	108.7
469	A	26.4	Very low	30.5	Very low	100 Å²	100	149.1 Å²	149.1	83%	0.826	84%	0.839	S	S	*	*			trans	-167.5	106.7	149.8	0	0	0	0	0	113.6
470	Q	27.8	Very low	30.4	Very low	194 Å²	194	148.2 Å²	148.2	91%	0.907	84%	0.838	S	S	*	*			trans	35.2	157.3	134.6	-76.5	-159.6	11.9	0	0	125.4
471	P	33.2	Very low	29.4	Very low	123 Å²	123	146.9 Å²	146.9	80%	0.799	84%	0.837	S	S	*	*			trans	-98.5	148.2	-147.2	37.4	-31.9	0	0	0	115.2
472	G	27.9	Very low	29.5	Very low	75 Å²	75	151.7 Å²	151.7	77%	0.773	84%	0.843	S	S	*	*			trans	-118.7	148	177.6	0	0	0	0	0	113.9
473	E	28.2	Very low	29.4	Very low	194 Å²	194	151.2 Å²	151.2	91%	0.907	84%	0.838	S	S	*	*			trans	-53.8	153.2	-174.5	-60.6	166.5	130.1	0	0	116.7
474	L	31.2	Very low	28.8	Very low	173 Å²	173	151.9 Å²	151.9	91%	0.906	85%	0.845	S	S	*	*			trans	-133.8	90.7	161.7	-96.7	156.1	0	0	0	111.9
475	C	27.2	Very low	28.7	Very low	117 Å²	117	144 Å²	144	79%	0.791	84%	0.839	S	S	*	*				39.1	112.4	127.3	-136.1	0	0	0	0	120.4
476	K	29.7	Very low	28.6	Very low	200 Å²	200	149.2 Å²	149.2	87%	0.87	85%	0.848	S	S	*	*			trans	-79.2	148.1	157.4	-69.3	175.6	175.2	175.7	0	110.8
477	K	29.6	Very low	28.6	Very low	200 Å²	200	150.1 Å²	150.1	87%	0.87	85%	0.853	S	S	*	*			trans	-169.3	161.9	146.9	-109.1	178.6	-167.6	-173.8	0	111.1
478	P	33.6	Very low	28.6	Very low	118 Å²	118	145.5 Å²	145.5	77%	0.766	84%	0.842	S	S	*	*				-127.5	174.8	-108.9	36.4	-18	0	0	0	116
479	F	26.7	Very low	29	Very low	206 Å²	206	143.3 Å²	143.3	90%	0.904	84%	0.839	S	S	*	*			trans	-55.6	144.2	168.9	-104.3	-106.2	0	0	0	114.1
480	V	29	Very low	29.1	Very low	137 Å²	137	146.1 Å²	146.1	83%	0.83	84%	0.839	S	S	*	*			trans	-127.6	129.3	158.6	177.9	0	0	0	0	107.9
481	A	28.8	Very low	29.4	Very low	86 Å²	86	146.6 Å²	146.6	71%	0.711	84%	0.841	S	S	*	*			trans	-110.1	148.5	175.7	0	0	0	0	0	110
482	L	29.2	Very low	29.2	Very low	182 Å²	182	144.3 Å²	144.3	95%	0.953	84%	0.84	S	S	*	*			trans	177.5	127.4	158.3	-88.8	161.1	0	0	0	103.1
483	G	26	Very low	29.4	Very low	65 Å²	65	156.4 Å²	156.4	67%	0.67	86%	0.862	S	S	*	*			cis	142.9	104.7	23.4	0	0	0	0	0	107.3
484	S	28.7	Very low	29.5	Very low	132 Å²	132	154.5 Å²	154.5	92%	0.923	86%	0.86	S	S	*	*			trans	55.6	130.6	148.2	66.8	0	0	0	0	123.6
485	G	25.6	Very low	29.4	Very low	75 Å²	75	153.5 Å²	153.5	77%	0.773	86%	0.858	S	S	*	*			trans	120.1	91.5	133.9	0	0	0	0	0	117.4
486	E	26.8	Very low	29.5	Very low	200 Å²	200	155.6 Å²	155.6	94%	0.935	86%	0.861	S	S	*	*				158.8	135.8	114.7	-87.2	-173.5	168.5	0	0	111.8
487	E	30	Very low	29.5	Very low	200 Å²	200	152.9 Å²	152.9	94%	0.935	86%	0.861	S	S	*	*			trans	-77	139.5	-162.8	-63.2	172.5	144.4	0	0	113
488	S	27.6	Very low	29.5	Very low	101 Å²	101	150 Å²	150	71%	0.706	86%	0.86	S	S	*	*			trans	-132.9	121.6	163.8	174.3	0	0	0	0	108.3	L490	S488-L490 PolarHBondContact O-N 3.3Å
489	P	35.3	Very low	29.2	Very low	132 Å²	132	152.1 Å²	152.1	86%	0.857	87%	0.866	S	S	*	*			trans	-81.7	107.6	-178.8	30.2	-29.4	0	0	0	110.4
490	L	30.1	Very low	29.4	Very low	158 Å²	158	148.3 Å²	148.3	83%	0.827	86%	0.864	S	S	*	*			trans	-99.4	102.1	160.4	-82.6	165.6	0	0	0	108.3	S488	S488-L490 PolarHBondContact O-N 3.3Å
491	E	33.3	Very low	29.4	Very low	205 Å²	205	149.2 Å²	149.2	96%	0.958	87%	0.866	S	S	*	*			trans	-148.3	133	157	-75.1	-163	157.3	0	0	111.7
492	G	29.5	Very low	29.5	Very low	75 Å²	75	154.4 Å²	154.4	77%	0.773	88%	0.879	S	S	*	*			trans	129	80.5	159	0	0	0	0	0	115.7
493	W	31.9	Very low	29.5	Very low	328 Å²	328	151.9 Å²	151.9	100%	1.242	87%	0.873	S	S	*	*			trans	-99.9	0	164.4	-80.1	92	0	0	0	111.6

Retrieved 493 of 493 residues in 117.4 ms (Link to these results)

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