A0A3Q0KER0_SCHMA Loading...

Cysteine protease

Cysteine protease that plays a key role in autophagy by mediating both proteolytic activation and delipidation of ATG8 family proteins.

AlphaFold DB , UniProt , Accession A0A3Q0KER0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 610 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	45.3	Very low	43.6	Very low	185 Å²	185	131.9 Å²	131.9	91%	0.911	65%	0.652	S	S	*	*				0	-15.5	0	-82.8	-171.9	-173.3	0	0	111.4	S3 Q4	M1-S3 VanDerWaalsContact C-N 3.27Å; M1-S3 PolarHBondContact O-N 3.34Å; M1-Q4 PolarHBondContact O-N 3.29Å
2	D	43.6	Very low	43.7	Very low	130 Å²	130	125.9 Å²	125.9	70%	0.695	63%	0.632	S	S	*	*	H	α-helix	trans	-66.4	-26.4	-179.8	-48.4	-60.2	0	0	0	113.5	Q4 W5 E6	D2-Q4 VanDerWaalsContact C-N 3.27Å; D2-Q4 PolarHBondContact O-N 3.16Å; D2-W5 PolarHBondContact O-N 3.19Å; D2-E6 PolarHBondContact O-N 3.26Å
3	S	49.2	Very low	43.5	Very low	90 Å²	90	123.4 Å²	123.4	63%	0.629	66%	0.657	S	S	*	*	H	α-helix	trans	-67.2	-19.3	174.1	47.8	0	0	0	0	115	M1	M1-S3 VanDerWaalsContact C-N 3.27Å; M1-S3 PolarHBondContact O-N 3.34Å
4	Q	40.2	Very low	44	Very low	138 Å²	138	120.9 Å²	120.9	65%	0.645	66%	0.655	S	S	*	*	H	α-helix	trans	-83.5	-24	177.5	-74.3	-173.8	-10.1	0	0	112.8	M1 D2 L8	M1-Q4 PolarHBondContact O-N 3.29Å; D2-Q4 VanDerWaalsContact C-N 3.27Å; D2-Q4 PolarHBondContact O-N 3.16Å; Q4-L8 PolarHBondContact O-N 2.67Å
5	W	44.4	Very low	44.7	Very low	159 Å²	159	121.6 Å²	121.6	60%	0.602	66%	0.656	S	S	*	*	H	α-helix	trans	-81.4	-40.3	177.3	-67.1	110.7	0	0	0	111.6	D2 A7 L8 F9	D2-W5 PolarHBondContact O-N 3.19Å; W5-A7 PolarHBondContact O-N 3.14Å; W5-L8 HydrophobicContact CE3-CD1 4.05Å; W5-L8 HydrophobicContact CZ3-CD1 4.08Å; W5-L8 PolarHBondContact O-N 3.36Å; W5-L8 VanDerWaalsContact O-N 3.09Å; W5-F9 HydrophobicContact CB-CE2 4.41Å; W5-F9 WeakPolarHBondContact O-CD2 3.41Å; W5-F9 PolarHBondContact O-N 3.33Å
6	E	40.5	Very low	45.8	Very low	138 Å²	138	117.5 Å²	117.5	65%	0.645	64%	0.638	S	S	*	*	H	α-helix	trans	-58.5	-35.9	171.7	-72.1	-177.1	163.9	0	0	112.1	D2 N10	D2-E6 PolarHBondContact O-N 3.26Å; E6-N10 WeakPolarHBondContact O-CB 3.43Å; E6-N10 VanDerWaalsContact O-CG 3.23Å; E6-N10 PolarHBondContact O-N 3.38Å; E6-N10 VanDerWaalsContact O-N 3.12Å; E6-N10 PolarHBondContact O-ND2 2.93Å
7	A	39.6	Very low	47.6	Very low	62 Å²	62	115.5 Å²	115.5	51%	0.512	63%	0.626	S	S	.	*	H	α-helix	trans	-69.6	-29.4	176.4	0	0	0	0	0	113.7	W5	W5-A7 PolarHBondContact O-N 3.14Å
8	L	40.2	Very low	49.8	Very low	113 Å²	113	110.9 Å²	110.9	59%	0.592	60%	0.6	S	S	*	*	H	α-helix	trans	-78.6	-37.2	176.4	-87.2	160.1	0	0	0	112.1	Q4 W5 Y11	Q4-L8 PolarHBondContact O-N 2.67Å; W5-L8 HydrophobicContact CE3-CD1 4.05Å; W5-L8 HydrophobicContact CZ3-CD1 4.08Å; W5-L8 PolarHBondContact O-N 3.36Å; W5-L8 VanDerWaalsContact O-N 3.09Å; L8-Y11 PolarHBondContact O-N 2.81Å
9	F	43.9	Very low	51.9	Low	85 Å²	85	108.2 Å²	108.2	37%	0.373	59%	0.589	S	S	.	*	H	α-helix	trans	-72.9	-28.9	176.9	-71.3	-65.1	0	0	0	113.1	W5 Y11 S12 P16	W5-F9 HydrophobicContact CB-CE2 4.41Å; W5-F9 WeakPolarHBondContact O-CD2 3.41Å; W5-F9 PolarHBondContact O-N 3.33Å; F9-Y11 PolarHBondContact O-N 3.39Å; F9-S12 PolarHBondContact O-N 3.33Å; F9-S12 PolarHBondContact O-OG 2.99Å; F9-P16 HydrophobicContact CD1-CG 4.23Å; F9-P16 HydrophobicContact CE1-CG 4.01Å
10	N	44.4	Very low	53.8	Low	131 Å²	131	103 Å²	103	70%	0.701	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.3	-10.6	175.6	-76	-22.5	0	0	0	114.2	E6	E6-N10 WeakPolarHBondContact O-CB 3.43Å; E6-N10 VanDerWaalsContact O-CG 3.23Å; E6-N10 PolarHBondContact O-N 3.38Å; E6-N10 VanDerWaalsContact O-N 3.12Å; E6-N10 PolarHBondContact O-ND2 2.93Å
11	Y	48.5	Very low	55.8	Low	220 Å²	220	98.5 Å²	98.5	86%	0.863	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	-14.8	180	-131.7	-93.8	0	0	0	113.8	L8 F9	L8-Y11 PolarHBondContact O-N 2.81Å; F9-Y11 PolarHBondContact O-N 3.39Å
12	S	45.2	Very low	58	Low	60 Å²	60	90.3 Å²	90.3	42%	0.42	50%	0.496	S	S	.	.	S	Bend	trans	-107.7	108.8	167.3	58.1	0	0	0	0	108	F9 S14	F9-S12 PolarHBondContact O-N 3.33Å; F9-S12 PolarHBondContact O-OG 2.99Å; S12-S14 PolarHBondContact O-N 2.72Å
13	G	41	Very low	60.3	Low	93 Å²	93	89.4 Å²	89.4	96%	0.959	50%	0.5	S	S	*	.	S	Bend	trans	-62.4	25.9	-168.2	0	0	0	0	0	118.6
14	S	50	Low	62.3	Low	89 Å²	89	88.6 Å²	88.6	62%	0.622	49%	0.491	S	S	*	.	S	Bend	trans	-147.7	116.1	167.1	55.8	0	0	0	0	107.7	S12	S12-S14 PolarHBondContact O-N 2.72Å
15	I	54.8	Low	64.9	Low	131 Å²	131	85.6 Å²	85.6	67%	0.672	49%	0.485	S	S	*	.	P	Polyproline II helix	trans	-54	124.7	165.2	-62.5	169.6	0	0	0	105.5	D17	I15-D17 PolarHBondContact O-N 3.2Å; I15-D17 VanDerWaalsContact O-N 3.09Å
16	P	61.6	Low	67.3	Low	56 Å²	56	81.6 Å²	81.6	36%	0.364	47%	0.472	S	S	.	.	P	Polyproline II helix	trans	-54.1	127.8	175.1	-19.4	29.3	0	0	0	106.6	F9	F9-P16 HydrophobicContact CD1-CG 4.23Å; F9-P16 HydrophobicContact CE1-CG 4.01Å
17	D	76.1	Confident	70	Confident	83 Å²	83	77.4 Å²	77.4	44%	0.444	46%	0.458	S	S	.	.	S	Bend	trans	-47.6	155	161.6	176.9	38.4	0	0	0	107.4	I15 R41	I15-D17 PolarHBondContact O-N 3.2Å; I15-D17 VanDerWaalsContact O-N 3.09Å; D17-R41 VanDerWaalsContact CB-NH2 3.35Å; D17-R41 PolarHBondContact O-NH2 3.5Å; D17-R41 IonicContact OD1-NH2 2.83Å; D17-R41 IonicContact OD2-CZ 2.72Å; D17-R41 IonicContact OD2-NE 3.42Å; D17-R41 PolarHBondContact OD2-NE 3.47Å; D17-R41 IonicContact OD2-NH2 3.18Å; D17-R41 PolarHBondContact OD2-NH2 3.16Å
18	H	87.5	Confident	72.8	Confident	33 Å²	33	74.5 Å²	74.5	15%	0.153	43%	0.434	C	S	.	.	S	Bend	trans	23.6	72.6	-179.4	-41.3	-52.2	0	0	0	116.2	Y20 L21 R41 A45	H18-Y20 HydrophobicContact CB-CD1 4.25Å; H18-Y20 HydrophobicContact CB-CE1 3.61Å; H18-Y20 HydrophobicContact CB-CE2 4.19Å; H18-Y20 PolarHBondContact O-N 2.88Å; H18-L21 HydrophobicContact CB-CD1 4.07Å; H18-L21 HydrophobicContact CB-CG 4.28Å; H18-L21 PolarHBondContact O-N 3.28Å; H18-R41 VanDerWaalsContact CA-NH2 3.32Å; H18-R41 PolarHBondContact CD2-NH2 3.48Å; H18-A45 WeakPolarHBondContact CE1-CB 3.43Å; H18-A45 VanDerWaalsContact NE2-CB 3.31Å; H18-A45 WeakPolarHBondContact NE2-CB 3.44Å
19	P	89.7	Confident	75.6	Confident	60 Å²	60	71 Å²	71	39%	0.39	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-14.1	-171.3	26.6	-35.8	0	0	0	114	L21	P19-L21 PolarHBondContact O-N 2.86Å
20	Y	91.4	Very high	78.2	Confident	4 Å²	4	67 Å²	67	2%	0.016	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-12.2	173.9	56.8	-93.7	0	0	0	113.1	H18 I44 A45 L48 I433 P461 R463	H18-Y20 HydrophobicContact CB-CD1 4.25Å; H18-Y20 HydrophobicContact CB-CE1 3.61Å; H18-Y20 HydrophobicContact CB-CE2 4.19Å; H18-Y20 PolarHBondContact O-N 2.88Å; Y20-I44 HydrophobicContact CE2-CG2 4.4Å; Y20-A45 WeakPolarHBondContact OH-CA 3.32Å; Y20-A45 WeakPolarHBondContact OH-CB 3.45Å; Y20-L48 HydrophobicContact CD2-CD1 4.14Å; Y20-L48 HydrophobicContact CE2-CD1 3.45Å; Y20-L48 VanDerWaalsContact CE2-CD1 3.45Å; Y20-I433 HydrophobicContact CD2-CG2 4.47Å; Y20-P461 WeakPolarHBondContact CB-O 3.5Å; Y20-P461 HydrophobicContact CD1-CB 4.03Å; Y20-P461 HydrophobicContact CD1-CG 4.26Å; Y20-P461 WeakPolarHBondContact CD1-O 3.47Å; Y20-P461 HydrophobicContact CD2-CB 4.33Å; Y20-P461 HydrophobicContact CE1-CB 4.28Å; Y20-P461 HydrophobicContact CE1-CG 3.99Å; Y20-P461 HydrophobicContact CE2-CG 4.39Å; Y20-P461 HydrophobicContact CG-CB 4.07Å; Y20-R463 VanDerWaalsContact C-NH1 3.29Å; Y20-R463 VanDerWaalsContact O-CD 3.31Å; Y20-R463 WeakPolarHBondContact O-CD 3.47Å; Y20-R463 PolarHBondContact O-NH1 3.36Å
21	L	94.3	Very high	80.7	Confident	9 Å²	9	60.8 Å²	60.8	5%	0.047	36%	0.362	C	S	.	.	S	Bend	trans	-95	148.7	176	-60.2	179.8	0	0	0	111.9	H18 P19 V28 R41 I44 I433 R463	H18-L21 HydrophobicContact CB-CD1 4.07Å; H18-L21 HydrophobicContact CB-CG 4.28Å; H18-L21 PolarHBondContact O-N 3.28Å; P19-L21 PolarHBondContact O-N 2.86Å; L21-V28 HydrophobicContact CD2-CG1 4.37Å; L21-V28 HydrophobicContact CD2-CG2 4.31Å; L21-R41 HydrophobicContact CD1-CG 4.12Å; L21-I44 HydrophobicContact CD1-CB 4.26Å; L21-I44 HydrophobicContact CD1-CD1 4.02Å; L21-I44 HydrophobicContact CD1-CG2 4.18Å; L21-I44 HydrophobicContact CD2-CD1 4.18Å; L21-I44 HydrophobicContact CD2-CG2 3.86Å; L21-I433 HydrophobicContact CD2-CD1 4.25Å; L21-R463 PolarHBondContact O-NH1 3.21Å
22	P	92.6	Very high	83.1	Confident	12 Å²	12	51 Å²	51	8%	0.078	33%	0.328	C	S	.	.			trans	-60.5	144.5	169.7	-22.4	32.5	0	0	0	111.7	V24 K26 T428	P22-V24 HydrophobicContact CB-CG2 4.45Å; P22-V24 PolarHBondContact O-N 3.48Å; P22-K26 HydrophobicContact CB-CB 4.46Å; P22-K26 HydrophobicContact CB-CD 3.93Å; P22-K26 HydrophobicContact CB-CG 4.45Å; P22-K26 HydrophobicContact CG-CB 4.27Å; P22-K26 HydrophobicContact CG-CD 4.06Å; P22-T428 HydrophobicContact CG-CG2 4.19Å; P22-T428 WeakPolarHBondContact CG-OG1 3.47Å
23	S	90.6	Very high	85.6	Confident	111 Å²	111	49.7 Å²	49.7	78%	0.776	32%	0.319	S	S	*	.	S	Bend	trans	-81	6.2	173.9	55.7	0	0	0	0	114
24	V	92.3	Very high	88.3	Confident	74 Å²	74	51.5 Å²	51.5	45%	0.448	30%	0.301	S	S	.	.	S	Bend	trans	-131.2	151	178.8	-65.7	0	0	0	0	108.6	P22 K26 S37	P22-V24 HydrophobicContact CB-CG2 4.45Å; P22-V24 PolarHBondContact O-N 3.48Å; V24-K26 HydrophobicContact CG2-CD 3.95Å; V24-K26 HydrophobicContact CG2-CG 4.08Å; V24-K26 PolarHBondContact O-N 3.21Å; V24-S37 PolarHBondContact O-OG 3.5Å
25	S	95.2	Very high	90.6	Very high	74 Å²	74	48.6 Å²	48.6	52%	0.517	28%	0.276	S	S	.	.			trans	-62.2	119.2	-178.8	157.6	0	0	0	0	110.6	D36 L38	S25-D36 WeakPolarHBondContact CB-OD2 3.23Å; S25-D36 PolarHBondContact OG-OD2 2.92Å; S25-L38 VanDerWaalsContact N-CD1 3.3Å
26	K	95.1	Very high	92.6	Very high	75 Å²	75	43.8 Å²	43.8	33%	0.326	25%	0.252	S	S	.	.			trans	-151.9	151.4	-176.6	-69.5	-173.6	168.1	178.1	0	109.8	P22 V24 V28 S37 D429	P22-K26 HydrophobicContact CB-CB 4.46Å; P22-K26 HydrophobicContact CB-CD 3.93Å; P22-K26 HydrophobicContact CB-CG 4.45Å; P22-K26 HydrophobicContact CG-CB 4.27Å; P22-K26 HydrophobicContact CG-CD 4.06Å; V24-K26 HydrophobicContact CG2-CD 3.95Å; V24-K26 HydrophobicContact CG2-CG 4.08Å; V24-K26 PolarHBondContact O-N 3.21Å; K26-V28 PolarHBondContact O-N 3.36Å; K26-S37 PolarHBondContact N-OG 3.38Å; K26-S37 PolarHBondContact O-N 2.74Å; K26-S37 PolarHBondContact O-OG 2.95Å; K26-D429 WeakPolarHBondContact CD-OD2 3.28Å; K26-D429 WeakPolarHBondContact CE-OD2 3.4Å; K26-D429 IonicContact NZ-OD2 3.67Å; K26-D429 PolarHBondContact NZ-OD2 2.9Å
27	S	97.2	Very high	94.3	Very high	51 Å²	51	41.1 Å²	41.1	36%	0.357	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	124.2	175.3	-65.2	0	0	0	0	111.2	K34 Y35	S27-K34 VanDerWaalsContact OG-CE 3.29Å; S27-K34 WeakPolarHBondContact OG-CE 3.38Å; S27-Y35 WeakPolarHBondContact CA-O 3.43Å
28	V	98	Very high	95.1	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	128.2	172	-176.1	0	0	0	0	108.1	L21 K26 I30 K34 Y35 I44 I433	L21-V28 HydrophobicContact CD2-CG1 4.37Å; L21-V28 HydrophobicContact CD2-CG2 4.31Å; K26-V28 PolarHBondContact O-N 3.36Å; V28-I30 HydrophobicContact CG1-CD1 3.69Å; V28-I30 HydrophobicContact CG1-CG1 4.05Å; V28-K34 CarbonylContact O-C 3.44Å; V28-Y35 PolarHBondContact N-O 3.11Å; V28-Y35 PolarHBondContact O-N 3.23Å; V28-I44 HydrophobicContact CB-CD1 4.22Å; V28-I44 HydrophobicContact CG1-CD1 4.47Å; V28-I44 HydrophobicContact CG2-CD1 4.27Å; V28-I433 HydrophobicContact CG1-CD1 3.66Å
29	Y	98.4	Very high	95.5	Very high	41 Å²	41	45.7 Å²	45.7	16%	0.161	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	119.4	174.7	-65.2	-91.3	0	0	0	109.5	C33 K34 R406 G426 V427	Y29-C33 CarbonylContact C-O 3.6Å; Y29-C33 VanDerWaalsContact CA-O 3.26Å; Y29-C33 WeakPolarHBondContact CA-O 3.42Å; Y29-K34 HydrophobicContact CD1-CB 3.89Å; Y29-K34 HydrophobicContact CD1-CG 4.17Å; Y29-K34 HydrophobicContact CE1-CB 3.62Å; Y29-K34 HydrophobicContact CE1-CD 3.9Å; Y29-K34 HydrophobicContact CE1-CG 3.62Å; Y29-R406 HydrophobicContact CD1-CB 4.3Å; Y29-R406 HydrophobicContact CD1-CG 3.74Å; Y29-R406 HydrophobicContact CE1-CB 4.32Å; Y29-R406 HydrophobicContact CE1-CG 3.69Å; Y29-R406 HydrophobicContact CG-CG 4.2Å; Y29-G426 CarbonylContact O-C 3.6Å; Y29-G426 WeakPolarHBondContact O-CA 3.41Å; Y29-V427 HydrophobicContact CD2-CG1 4.49Å; Y29-V427 PolarHBondContact N-O 2.91Å; Y29-V427 PolarHBondContact O-N 3.35Å
30	I	98.2	Very high	95.8	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	113	175.6	-52.6	-56.6	0	0	0	108.2	V28 G32 C33 Y35 I44 L48 I433	V28-I30 HydrophobicContact CG1-CD1 3.69Å; V28-I30 HydrophobicContact CG1-CG1 4.05Å; I30-G32 VanDerWaalsContact C-N 3.28Å; I30-G32 PolarHBondContact O-N 3.03Å; I30-G32 VanDerWaalsContact O-N 3.1Å; I30-C33 PolarHBondContact N-O 3.39Å; I30-C33 WeakPolarHBondContact O-CB 3.37Å; I30-C33 PolarHBondContact O-N 3.33Å; I30-Y35 HydrophobicContact CB-CD2 4.5Å; I30-Y35 HydrophobicContact CB-CE2 4.13Å; I30-Y35 HydrophobicContact CG1-CD2 4.22Å; I30-Y35 HydrophobicContact CG1-CE2 4.26Å; I30-I44 HydrophobicContact CG1-CG2 4.28Å; I30-L48 HydrophobicContact CD1-CD1 4.45Å; I30-L48 HydrophobicContact CD1-CD2 4.16Å; I30-L48 HydrophobicContact CG1-CD2 4.48Å; I30-L48 HydrophobicContact CG2-CD2 3.77Å; I30-L48 HydrophobicContact CG2-CG 4.44Å; I30-I433 HydrophobicContact CD1-CB 4.49Å; I30-I433 HydrophobicContact CD1-CD1 3.66Å
31	L	98.2	Very high	95.9	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	42.2	49.2	174.9	-52	173.7	0	0	0	114.5	R51 E88 R92 R97 V411 W423 V425	L31-R51 HydrophobicContact CD1-CG 4.38Å; L31-E88 HydrophobicContact CD1-CG 4.18Å; L31-E88 WeakPolarHBondContact CD1-OE1 3.43Å; L31-R92 PolarHBondContact O-NH2 2.65Å; L31-R92 VanDerWaalsContact O-NH2 3.1Å; L31-R97 PolarHBondContact O-NH2 2.87Å; L31-V411 VanDerWaalsContact CD2-C 3.48Å; L31-W423 HydrophobicContact CD1-CH2 4.38Å; L31-W423 HydrophobicContact CD1-CZ2 4.28Å; L31-W423 HydrophobicContact CD2-CZ2 4.37Å; L31-V425 HydrophobicContact CD1-CB 4.49Å; L31-V425 HydrophobicContact CD2-CB 4.02Å; L31-V425 HydrophobicContact CD2-CG1 4.32Å; L31-V425 VanDerWaalsContact CD2-O 3.27Å; L31-V425 WeakPolarHBondContact CD2-O 3.19Å; L31-V425 HydrophobicContact CG-CB 4.16Å; L31-V425 VanDerWaalsContact CG-O 3.26Å; L31-V425 WeakPolarHBondContact CG-O 3.49Å; L31-V425 PolarHBondContact N-O 3.44Å
32	G	97.6	Very high	96	Very high	14 Å²	14	53 Å²	53	14%	0.144	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.6	7.2	179	0	0	0	0	0	116	I30 R97 F405 L407	I30-G32 VanDerWaalsContact C-N 3.28Å; I30-G32 PolarHBondContact O-N 3.03Å; I30-G32 VanDerWaalsContact O-N 3.1Å; G32-R97 PolarHBondContact O-NH2 2.88Å; G32-F405 WeakPolarHBondContact CA-O 3.39Å; G32-F405 PolarHBondContact N-O 3.07Å; G32-L407 VanDerWaalsContact CA-O 3.23Å; G32-L407 WeakPolarHBondContact CA-O 2.93Å
33	C	97.6	Very high	96.1	Very high	33 Å²	33	55.3 Å²	55.3	22%	0.223	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	135.1	175.3	-63.9	0	0	0	0	109.7	Y29 I30 Y35	Y29-C33 CarbonylContact C-O 3.6Å; Y29-C33 VanDerWaalsContact CA-O 3.26Å; Y29-C33 WeakPolarHBondContact CA-O 3.42Å; I30-C33 PolarHBondContact N-O 3.39Å; I30-C33 WeakPolarHBondContact O-CB 3.37Å; I30-C33 PolarHBondContact O-N 3.33Å; C33-Y35 HydrophobicContact CB-CD2 4.42Å; C33-Y35 HydrophobicContact CB-CE2 3.48Å; C33-Y35 VanDerWaalsContact CB-CE2 3.48Å
34	K	97.9	Very high	96.4	Very high	132 Å²	132	50 Å²	50	57%	0.574	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.4	138.5	177.7	-175.3	-175.6	176.8	-173.6	0	110.3	S27 V28 Y29	S27-K34 VanDerWaalsContact OG-CE 3.29Å; S27-K34 WeakPolarHBondContact OG-CE 3.38Å; V28-K34 CarbonylContact O-C 3.44Å; Y29-K34 HydrophobicContact CD1-CB 3.89Å; Y29-K34 HydrophobicContact CD1-CG 4.17Å; Y29-K34 HydrophobicContact CE1-CB 3.62Å; Y29-K34 HydrophobicContact CE1-CD 3.9Å; Y29-K34 HydrophobicContact CE1-CG 3.62Å
35	Y	98	Very high	96.6	Very high	28 Å²	28	47.2 Å²	47.2	11%	0.11	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	160.8	178	-59.3	-80.2	0	0	0	110.7	S27 V28 I30 C33 D40 E43 I44 H47	S27-Y35 WeakPolarHBondContact CA-O 3.43Å; V28-Y35 PolarHBondContact N-O 3.11Å; V28-Y35 PolarHBondContact O-N 3.23Å; I30-Y35 HydrophobicContact CB-CD2 4.5Å; I30-Y35 HydrophobicContact CB-CE2 4.13Å; I30-Y35 HydrophobicContact CG1-CD2 4.22Å; I30-Y35 HydrophobicContact CG1-CE2 4.26Å; C33-Y35 HydrophobicContact CB-CD2 4.42Å; C33-Y35 HydrophobicContact CB-CE2 3.48Å; C33-Y35 VanDerWaalsContact CB-CE2 3.48Å; Y35-D40 WeakPolarHBondContact CA-OD2 3.42Å; Y35-D40 HydrophobicContact CD1-CB 3.86Å; Y35-D40 HydrophobicContact CG-CB 4.4Å; Y35-E43 HydrophobicContact CD1-CG 4.28Å; Y35-E43 HydrophobicContact CE1-CG 3.68Å; Y35-I44 HydrophobicContact CD1-CG1 4.05Å; Y35-I44 HydrophobicContact CD2-CG1 3.99Å; Y35-I44 HydrophobicContact CG-CD1 4.3Å; Y35-I44 HydrophobicContact CG-CG1 3.59Å; Y35-H47 AromaticContact CE2-ND1 3.68Å; Y35-H47 AromaticContact CZ-ND1 3.62Å; Y35-H47 PolarHBondContact OH-ND1 3.17Å
36	D	97.7	Very high	96.6	Very high	29 Å²	29	48.9 Å²	48.9	16%	0.155	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	133.6	160	-173.3	-88.1	0	0	0	111	S25 L38 D39 D40	S25-D36 WeakPolarHBondContact CB-OD2 3.23Å; S25-D36 PolarHBondContact OG-OD2 2.92Å; D36-L38 VanDerWaalsContact C-N 3.25Å; D36-L38 PolarHBondContact O-N 2.95Å; D36-L38 PolarHBondContact OD1-N 3.28Å; D36-D39 HydrophobicContact CB-CB 4.13Å; D36-D39 PolarHBondContact OD1-N 3.38Å; D36-D40 PolarHBondContact N-OD2 3.27Å; D36-D40 WeakPolarHBondContact O-CB 3.43Å; D36-D40 PolarHBondContact O-N 2.93Å; D36-D40 VanDerWaalsContact O-N 3.09Å
37	S	95.9	Very high	96.7	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-21.8	-177	49.8	0	0	0	0	115.5	V24 K26	V24-S37 PolarHBondContact O-OG 3.5Å; K26-S37 PolarHBondContact N-OG 3.38Å; K26-S37 PolarHBondContact O-N 2.74Å; K26-S37 PolarHBondContact O-OG 2.95Å
38	L	94.1	Very high	96.8	Very high	78 Å²	78	43 Å²	43	41%	0.408	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-49.5	177	-66.8	-175.1	0	0	0	111.6	S25 D36 R41	S25-L38 VanDerWaalsContact N-CD1 3.3Å; D36-L38 VanDerWaalsContact C-N 3.25Å; D36-L38 PolarHBondContact O-N 2.95Å; D36-L38 PolarHBondContact OD1-N 3.28Å; L38-R41 WeakPolarHBondContact O-CB 3.08Å
39	D	95.4	Very high	96.7	Very high	135 Å²	135	44.1 Å²	44.1	72%	0.722	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-31.5	-172	-63.5	-26.5	0	0	0	112.9	D36	D36-D39 HydrophobicContact CB-CB 4.13Å; D36-D39 PolarHBondContact OD1-N 3.38Å
40	D	96.4	Very high	96.6	Very high	64 Å²	64	42.1 Å²	42.1	34%	0.342	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108	22	-176.2	-59.7	-51.8	0	0	0	112.7	Y35 D36 E42 E43 I44	Y35-D40 WeakPolarHBondContact CA-OD2 3.42Å; Y35-D40 HydrophobicContact CD1-CB 3.86Å; Y35-D40 HydrophobicContact CG-CB 4.4Å; D36-D40 PolarHBondContact N-OD2 3.27Å; D36-D40 WeakPolarHBondContact O-CB 3.43Å; D36-D40 PolarHBondContact O-N 2.93Å; D36-D40 VanDerWaalsContact O-N 3.09Å; D40-E42 PolarHBondContact O-N 3.14Å; D40-E43 HydrophobicContact CB-CB 4.46Å; D40-E43 CarbonylContact O-C 3.59Å; D40-E43 WeakPolarHBondContact O-CB 3.43Å; D40-E43 PolarHBondContact O-N 3.33Å; D40-E43 VanDerWaalsContact O-N 3.07Å; D40-I44 HydrophobicContact CB-CG1 4.48Å; D40-I44 VanDerWaalsContact O-CG1 3.31Å; D40-I44 WeakPolarHBondContact O-CG1 3.41Å; D40-I44 PolarHBondContact O-N 3.37Å
41	R	94.3	Very high	96.6	Very high	36 Å²	36	42.1 Å²	42.1	14%	0.136	21%	0.207	C	C	.	.	H	α-helix	trans	-56.3	-50.5	-168	177.7	172.8	-179.1	70.3	22.5	114.4	D17 H18 L21 L38 E43 I44 A45	D17-R41 VanDerWaalsContact CB-NH2 3.35Å; D17-R41 PolarHBondContact O-NH2 3.5Å; D17-R41 IonicContact OD1-NH2 2.83Å; D17-R41 IonicContact OD2-CZ 2.72Å; D17-R41 IonicContact OD2-NE 3.42Å; D17-R41 PolarHBondContact OD2-NE 3.47Å; D17-R41 IonicContact OD2-NH2 3.18Å; D17-R41 PolarHBondContact OD2-NH2 3.16Å; H18-R41 VanDerWaalsContact CA-NH2 3.32Å; H18-R41 PolarHBondContact CD2-NH2 3.48Å; L21-R41 HydrophobicContact CD1-CG 4.12Å; L38-R41 WeakPolarHBondContact O-CB 3.08Å; R41-E43 VanDerWaalsContact C-N 3.31Å; R41-I44 PolarHBondContact O-N 3.46Å; R41-A45 PolarHBondContact O-N 2.82Å; R41-A45 VanDerWaalsContact O-N 3.08Å
42	E	94.5	Very high	96.6	Very high	125 Å²	125	42.2 Å²	42.2	58%	0.584	21%	0.208	S	C	*	.	H	α-helix	trans	-67.8	-33.6	177	-68.1	75.1	-168.7	0	0	111.5	D40 A45 R46	D40-E42 PolarHBondContact O-N 3.14Å; E42-A45 PolarHBondContact O-N 3.33Å; E42-R46 VanDerWaalsContact O-CB 3.26Å; E42-R46 WeakPolarHBondContact O-CB 3.35Å; E42-R46 PolarHBondContact O-N 3.06Å
43	E	95.8	Very high	96.6	Very high	62 Å²	62	43.2 Å²	43.2	29%	0.29	21%	0.207	S	C	.	.	H	α-helix	trans	-68.5	-38.9	176.9	179.7	58.8	-159	0	0	111.4	Y35 D40 R41 R46 H47	Y35-E43 HydrophobicContact CD1-CG 4.28Å; Y35-E43 HydrophobicContact CE1-CG 3.68Å; D40-E43 HydrophobicContact CB-CB 4.46Å; D40-E43 CarbonylContact O-C 3.59Å; D40-E43 WeakPolarHBondContact O-CB 3.43Å; D40-E43 PolarHBondContact O-N 3.33Å; D40-E43 VanDerWaalsContact O-N 3.07Å; R41-E43 VanDerWaalsContact C-N 3.31Å; E43-R46 PolarHBondContact O-N 2.9Å; E43-R46 IonicContact OE1-CZ 3.36Å; E43-R46 IonicContact OE1-NE 2.61Å; E43-R46 IonicContact OE1-NH2 2.81Å; E43-R46 PolarHBondContact OE1-NH2 2.81Å; E43-R46 IonicContact OE2-CZ 2.67Å; E43-R46 IonicContact OE2-NE 2.93Å; E43-R46 PolarHBondContact OE2-NE 3.4Å; E43-R46 IonicContact OE2-NH2 2.99Å; E43-R46 PolarHBondContact OE2-NH2 2.84Å; E43-H47 WeakPolarHBondContact O-CB 3.31Å; E43-H47 PolarHBondContact O-N 3.39Å
44	I	96.9	Very high	96.6	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-61.3	-48.7	172.4	-64.4	161.3	0	0	0	109.9	Y20 L21 V28 I30 Y35 D40 R41 R46 H47 L48	Y20-I44 HydrophobicContact CE2-CG2 4.4Å; L21-I44 HydrophobicContact CD1-CB 4.26Å; L21-I44 HydrophobicContact CD1-CD1 4.02Å; L21-I44 HydrophobicContact CD1-CG2 4.18Å; L21-I44 HydrophobicContact CD2-CD1 4.18Å; L21-I44 HydrophobicContact CD2-CG2 3.86Å; V28-I44 HydrophobicContact CB-CD1 4.22Å; V28-I44 HydrophobicContact CG1-CD1 4.47Å; V28-I44 HydrophobicContact CG2-CD1 4.27Å; I30-I44 HydrophobicContact CG1-CG2 4.28Å; Y35-I44 HydrophobicContact CD1-CG1 4.05Å; Y35-I44 HydrophobicContact CD2-CG1 3.99Å; Y35-I44 HydrophobicContact CG-CD1 4.3Å; Y35-I44 HydrophobicContact CG-CG1 3.59Å; D40-I44 HydrophobicContact CB-CG1 4.48Å; D40-I44 VanDerWaalsContact O-CG1 3.31Å; D40-I44 WeakPolarHBondContact O-CG1 3.41Å; D40-I44 PolarHBondContact O-N 3.37Å; R41-I44 PolarHBondContact O-N 3.46Å; I44-R46 PolarHBondContact O-N 2.76Å; I44-H47 PolarHBondContact O-N 3.3Å; I44-L48 HydrophobicContact CG2-CD1 3.72Å; I44-L48 HydrophobicContact CG2-CG 4.4Å; I44-L48 WeakPolarHBondContact O-CG 3.13Å; I44-L48 PolarHBondContact O-N 3.31Å
45	A	96.1	Very high	96.6	Very high	14 Å²	14	35.4 Å²	35.4	12%	0.116	17%	0.169	C	C	.	.	H	α-helix	trans	-60.1	-45.5	179.3	0	0	0	0	0	111.8	H18 Y20 R41 E42 H47 L48 N49	H18-A45 WeakPolarHBondContact CE1-CB 3.43Å; H18-A45 VanDerWaalsContact NE2-CB 3.31Å; H18-A45 WeakPolarHBondContact NE2-CB 3.44Å; Y20-A45 WeakPolarHBondContact OH-CA 3.32Å; Y20-A45 WeakPolarHBondContact OH-CB 3.45Å; R41-A45 PolarHBondContact O-N 2.82Å; R41-A45 VanDerWaalsContact O-N 3.08Å; E42-A45 PolarHBondContact O-N 3.33Å; A45-H47 PolarHBondContact O-N 2.86Å; A45-L48 PolarHBondContact O-N 2.95Å; A45-N49 VanDerWaalsContact O-CB 3.24Å; A45-N49 WeakPolarHBondContact O-CB 3.28Å; A45-N49 PolarHBondContact O-N 3.46Å
46	R	96	Very high	96.7	Very high	110 Å²	110	34.5 Å²	34.5	42%	0.415	17%	0.166	S	C	.	.	H	α-helix	trans	-62.6	-39.9	176.5	-167	-178.3	71	98.3	2.4	112.2	E42 E43 I44 S50 K100	E42-R46 VanDerWaalsContact O-CB 3.26Å; E42-R46 WeakPolarHBondContact O-CB 3.35Å; E42-R46 PolarHBondContact O-N 3.06Å; E43-R46 PolarHBondContact O-N 2.9Å; E43-R46 IonicContact OE1-CZ 3.36Å; E43-R46 IonicContact OE1-NE 2.61Å; E43-R46 IonicContact OE1-NH2 2.81Å; E43-R46 PolarHBondContact OE1-NH2 2.81Å; E43-R46 IonicContact OE2-CZ 2.67Å; E43-R46 IonicContact OE2-NE 2.93Å; E43-R46 PolarHBondContact OE2-NE 3.4Å; E43-R46 IonicContact OE2-NH2 2.99Å; E43-R46 PolarHBondContact OE2-NH2 2.84Å; I44-R46 PolarHBondContact O-N 2.76Å; R46-S50 VanDerWaalsContact O-CB 3.25Å; R46-S50 WeakPolarHBondContact O-CB 3.23Å; R46-S50 PolarHBondContact O-N 2.76Å; R46-S50 PolarHBondContact O-OG 2.84Å; R46-K100 HydrophobicContact CG-CD 4.36Å
47	H	97.4	Very high	96.7	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-62.3	-51.2	174.8	-173.6	173.3	0	0	0	111.1	Y35 E43 I44 A45 S50	Y35-H47 AromaticContact CE2-ND1 3.68Å; Y35-H47 AromaticContact CZ-ND1 3.62Å; Y35-H47 PolarHBondContact OH-ND1 3.17Å; E43-H47 WeakPolarHBondContact O-CB 3.31Å; E43-H47 PolarHBondContact O-N 3.39Å; I44-H47 PolarHBondContact O-N 3.3Å; A45-H47 PolarHBondContact O-N 2.86Å; H47-S50 WeakPolarHBondContact O-CB 3.29Å; H47-S50 PolarHBondContact O-N 2.84Å
48	L	97.5	Very high	96.7	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-63.5	-44.3	-178.9	-69.7	168.1	0	0	0	112	Y20 I30 I44 A45 S50 R51 V425 I433 P461	Y20-L48 HydrophobicContact CD2-CD1 4.14Å; Y20-L48 HydrophobicContact CE2-CD1 3.45Å; Y20-L48 VanDerWaalsContact CE2-CD1 3.45Å; I30-L48 HydrophobicContact CD1-CD1 4.45Å; I30-L48 HydrophobicContact CD1-CD2 4.16Å; I30-L48 HydrophobicContact CG1-CD2 4.48Å; I30-L48 HydrophobicContact CG2-CD2 3.77Å; I30-L48 HydrophobicContact CG2-CG 4.44Å; I44-L48 HydrophobicContact CG2-CD1 3.72Å; I44-L48 HydrophobicContact CG2-CG 4.4Å; I44-L48 WeakPolarHBondContact O-CG 3.13Å; I44-L48 PolarHBondContact O-N 3.31Å; A45-L48 PolarHBondContact O-N 2.95Å; L48-S50 VanDerWaalsContact C-N 3.26Å; L48-S50 PolarHBondContact O-N 3.47Å; L48-R51 WeakPolarHBondContact O-CB 3.09Å; L48-R51 PolarHBondContact O-N 3.05Å; L48-R51 VanDerWaalsContact O-N 3.11Å; L48-V425 HydrophobicContact CD2-CB 4.46Å; L48-V425 HydrophobicContact CD2-CG2 3.55Å; L48-I433 HydrophobicContact CD1-CG2 4.12Å; L48-I433 HydrophobicContact CD2-CG2 4.29Å; L48-P461 HydrophobicContact CB-CG 3.91Å; L48-P461 HydrophobicContact CD1-CB 4.36Å; L48-P461 HydrophobicContact CD1-CG 3.86Å; L48-P461 HydrophobicContact CG-CG 4.34Å
49	N	96.5	Very high	96.8	Very high	24 Å²	24	37.9 Å²	37.9	13%	0.128	19%	0.193	C	C	.	.	H	α-helix	trans	-62.2	-33.5	175.1	173.4	-87.6	0	0	0	111.6	A45 R51 H457 C458 D459	A45-N49 VanDerWaalsContact O-CB 3.24Å; A45-N49 WeakPolarHBondContact O-CB 3.28Å; A45-N49 PolarHBondContact O-N 3.46Å; N49-R51 PolarHBondContact O-N 3.45Å; N49-R51 VanDerWaalsContact O-N 3.13Å; N49-H457 WeakPolarHBondContact O-CB 3.5Å; N49-H457 PolarHBondContact O-ND1 2.92Å; N49-C458 WeakPolarHBondContact CA-O 3.38Å; N49-D459 PolarHBondContact ND2-OD1 3.25Å
50	S	97.4	Very high	96.8	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	2.8	175.6	-60.5	0	0	0	0	114.9	R46 H47 L48 W99 K100 W101	R46-S50 VanDerWaalsContact O-CB 3.25Å; R46-S50 WeakPolarHBondContact O-CB 3.23Å; R46-S50 PolarHBondContact O-N 2.76Å; R46-S50 PolarHBondContact O-OG 2.84Å; H47-S50 WeakPolarHBondContact O-CB 3.29Å; H47-S50 PolarHBondContact O-N 2.84Å; L48-S50 VanDerWaalsContact C-N 3.26Å; L48-S50 PolarHBondContact O-N 3.47Å; S50-W99 WeakPolarHBondContact O-CZ3 3.3Å; S50-K100 VanDerWaalsContact OG-CA 3.31Å; S50-K100 WeakPolarHBondContact OG-CA 3.49Å; S50-K100 WeakPolarHBondContact OG-CD 3.36Å; S50-W101 PolarHBondContact OG-N 3.17Å
51	R	97.9	Very high	96.6	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.162	C	C	.	.	S	Bend	trans	-93.7	144.1	173.2	-55.8	-60.3	78.1	159.5	7	109.2	L31 L48 N49 W53 E88 W99 W423 L435	L31-R51 HydrophobicContact CD1-CG 4.38Å; L48-R51 WeakPolarHBondContact O-CB 3.09Å; L48-R51 PolarHBondContact O-N 3.05Å; L48-R51 VanDerWaalsContact O-N 3.11Å; N49-R51 PolarHBondContact O-N 3.45Å; N49-R51 VanDerWaalsContact O-N 3.13Å; R51-W53 PolarHBondContact O-N 2.76Å; R51-E88 WeakPolarHBondContact CD-OE2 3.29Å; R51-E88 IonicContact CZ-OE1 3.19Å; R51-E88 IonicContact CZ-OE2 2.81Å; R51-E88 IonicContact NE-OE2 3.2Å; R51-E88 PolarHBondContact NE-OE2 3.25Å; R51-E88 VanDerWaalsContact NH1-CD 3.33Å; R51-E88 IonicContact NH1-OE1 3.7Å; R51-E88 PolarHBondContact NH1-OE1 3.02Å; R51-E88 IonicContact NH1-OE2 3.89Å; R51-E88 PolarHBondContact NH1-OE2 2.92Å; R51-W99 PolarHBondContact NH2-O 3.23Å; R51-W423 HydrophobicContact CB-CH2 4.13Å; R51-W423 HydrophobicContact CB-CZ3 3.99Å; R51-W423 HydrophobicContact CG-CH2 4.35Å; R51-L435 HydrophobicContact CB-CD1 4.08Å
52	L	97.4	Very high	96.6	Very high	2 Å²	2	31 Å²	31	1%	0.01	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-73.7	121.1	179.3	-73.7	171.8	0	0	0	110.6	M54 M84 A87 L91 Y110 L113 L114 Y456	L52-M54 HydrophobicContact CB-CE 3.98Å; L52-M54 HydrophobicContact CB-SD 3.96Å; L52-M54 HydrophobicContact CD1-CE 4.44Å; L52-M84 WeakPolarHBondContact O-CG 3.4Å; L52-A87 HydrophobicContact CB-CB 4.06Å; L52-A87 HydrophobicContact CD1-CB 3.93Å; L52-L91 HydrophobicContact CD1-CD1 4.18Å; L52-L91 HydrophobicContact CG-CD1 4.26Å; L52-Y110 HydrophobicContact CD2-CE2 4.05Å; L52-L113 HydrophobicContact CD1-CD2 3.21Å; L52-L114 HydrophobicContact CD2-CD1 4.24Å; L52-Y456 CarbonylContact C-O 3.6Å; L52-Y456 WeakPolarHBondContact CA-O 3.49Å
53	W	98.2	Very high	96.6	Very high	34 Å²	34	25 Å²	25	13%	0.129	14%	0.136	C	C	.	.			trans	-106.5	108.4	-175.5	-178.3	45.6	0	0	0	110.5	R51 T55 D436 Y456 C458	R51-W53 PolarHBondContact O-N 2.76Å; W53-T55 HydrophobicContact CD2-CG2 3.52Å; W53-T55 HydrophobicContact CE3-CG2 3.95Å; W53-T55 HydrophobicContact CG-CG2 4.12Å; W53-T55 HydrophobicContact CH2-CG2 3.76Å; W53-T55 HydrophobicContact CZ2-CG2 3.3Å; W53-T55 HydrophobicContact CZ3-CG2 4.06Å; W53-D436 WeakPolarHBondContact CZ2-O 3.32Å; W53-D436 PolarHBondContact NE1-O 2.74Å; W53-Y456 WeakPolarHBondContact CB-O 3.21Å; W53-Y456 PolarHBondContact N-O 3.47Å; W53-Y456 WeakPolarHBondContact O-CA 3.49Å; W53-C458 HydrophobicContact CB-CB 3.91Å; W53-C458 HydrophobicContact CD2-CB 3.61Å; W53-C458 HydrophobicContact CE3-CB 3.88Å; W53-C458 HydrophobicContact CG-CB 3.65Å
54	M	98	Very high	96.4	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.005	14%	0.14	C	C	.	.			trans	-104.6	119	-179.6	-80.9	50.1	179.1	0	0	107.6	L52 R80 Q83 M84 L114 F117 P437 Y456	L52-M54 HydrophobicContact CB-CE 3.98Å; L52-M54 HydrophobicContact CB-SD 3.96Å; L52-M54 HydrophobicContact CD1-CE 4.44Å; M54-R80 HydrophobicContact CB-CB 4.46Å; M54-R80 WeakPolarHBondContact O-CB 3.27Å; M54-Q83 HydrophobicContact CB-CB 4.15Å; M54-Q83 HydrophobicContact CG-CB 3.98Å; M54-M84 HydrophobicContact CB-CG 3.82Å; M54-M84 PolarHBondContact N-SD 3.47Å; M54-L114 HydrophobicContact CE-CD1 4.05Å; M54-F117 HydrophobicContact CE-CB 3.7Å; M54-F117 HydrophobicContact CE-CD2 4.4Å; M54-F117 HydrophobicContact CE-CG 4.05Å; M54-P437 WeakPolarHBondContact O-CB 3.32Å; M54-Y456 HydrophobicContact CE-CD1 3.47Å; M54-Y456 VanDerWaalsContact CE-CD1 3.47Å; M54-Y456 HydrophobicContact CE-CE1 3.79Å; M54-Y456 HydrophobicContact CG-CD1 4.31Å; M54-Y456 HydrophobicContact CG-CE1 4.37Å; M54-Y456 HydrophobicContact SD-CD1 3.61Å; M54-Y456 HydrophobicContact SD-CE1 4.18Å
55	T	98	Very high	96	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.161	C	C	.	.			trans	-113.5	175.7	-179.5	74.8	0	0	0	0	111	W53 R57 R80 P437 T439 Q441	W53-T55 HydrophobicContact CD2-CG2 3.52Å; W53-T55 HydrophobicContact CE3-CG2 3.95Å; W53-T55 HydrophobicContact CG-CG2 4.12Å; W53-T55 HydrophobicContact CH2-CG2 3.76Å; W53-T55 HydrophobicContact CZ2-CG2 3.3Å; W53-T55 HydrophobicContact CZ3-CG2 4.06Å; T55-R57 PolarHBondContact O-N 3.41Å; T55-R80 WeakPolarHBondContact O-CD 3.48Å; T55-R80 PolarHBondContact O-NE 2.9Å; T55-P437 CarbonylContact C-O 3.32Å; T55-P437 VanDerWaalsContact CA-O 3.32Å; T55-P437 WeakPolarHBondContact CA-O 3.48Å; T55-P437 WeakPolarHBondContact CB-O 3.41Å; T55-T439 WeakPolarHBondContact CB-O 3.3Å; T55-T439 PolarHBondContact OG1-O 2.87Å; T55-Q441 WeakPolarHBondContact OG1-CG 3.45Å; T55-Q441 PolarHBondContact OG1-NE2 2.99Å
56	Y	98.3	Very high	95.8	Very high	10 Å²	10	36.8 Å²	36.8	4%	0.039	20%	0.196	C	C	.	.			trans	-51.1	139.9	164.7	-65.6	-36.4	0	0	0	111.2	D72 A73 C77 P437 H438 T439 T440 Q441	Y56-D72 WeakPolarHBondContact CD1-O 3.42Å; Y56-D72 WeakPolarHBondContact CD1-OD2 3.36Å; Y56-D72 VanDerWaalsContact CE1-O 3.28Å; Y56-D72 WeakPolarHBondContact CE1-O 3.45Å; Y56-A73 HydrophobicContact CD2-CB 4.15Å; Y56-A73 HydrophobicContact CG-CB 4.19Å; Y56-C77 HydrophobicContact CE1-CB 3.99Å; Y56-C77 VanDerWaalsContact CE1-N 3.35Å; Y56-C77 VanDerWaalsContact OH-CB 3.29Å; Y56-C77 WeakPolarHBondContact OH-CB 3.4Å; Y56-P437 PolarHBondContact N-O 2.94Å; Y56-H438 HydrophobicContact CE2-CB 4.12Å; Y56-H438 AromaticContact CE2-CD2 3.62Å; Y56-H438 AromaticContact CZ-CD2 3.75Å; Y56-H438 PolarHBondContact OH-CD2 3.44Å; Y56-T439 PolarHBondContact N-O 2.94Å; Y56-T440 CarbonylContact O-C 3.54Å; Y56-T440 WeakPolarHBondContact O-CA 3.44Å; Y56-Q441 PolarHBondContact O-N 3.24Å
57	R	97.9	Very high	95.5	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.008	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	149.8	177.9	-64.6	-85.5	-180	167.6	2.8	110	T55 F60 S71 D72 D119 Q441 P442 A443 Y452 T455 Y456	T55-R57 PolarHBondContact O-N 3.41Å; R57-F60 HydrophobicContact CB-CD1 3.94Å; R57-F60 HydrophobicContact CB-CE1 4.05Å; R57-F60 WeakPolarHBondContact O-CE1 3.38Å; R57-S71 VanDerWaalsContact O-CA 3.28Å; R57-S71 WeakPolarHBondContact O-CA 3.39Å; R57-S71 PolarHBondContact O-OG 3.41Å; R57-D72 PolarHBondContact N-OD1 2.87Å; R57-D72 PolarHBondContact O-N 2.77Å; R57-D72 VanDerWaalsContact O-OD1 3.14Å; R57-D119 VanDerWaalsContact CG-OD2 3.23Å; R57-D119 WeakPolarHBondContact CG-OD2 3.34Å; R57-Q441 CarbonylContact C-O 3.58Å; R57-Q441 WeakPolarHBondContact CA-O 3.02Å; R57-P442 WeakPolarHBondContact CD-O 3.03Å; R57-P442 PolarHBondContact NH1-O 2.9Å; R57-A443 HydrophobicContact CB-CB 4.45Å; R57-Y452 PolarHBondContact NH1-OH 3.22Å; R57-T455 PolarHBondContact NH1-OG1 3.4Å; R57-T455 PolarHBondContact NH2-O 3.04Å; R57-T455 PolarHBondContact NH2-OG1 2.76Å; R57-Y456 VanDerWaalsContact NH2-CE2 3.31Å; R57-Y456 VanDerWaalsContact NH2-CZ 3.34Å
58	K	96.8	Very high	95.4	Very high	114 Å²	114	39.3 Å²	39.3	50%	0.496	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	149.5	175.7	65.8	179.9	176.7	-174.8	0	111.6	T440 Q441 A443	K58-T440 HydrophobicContact CB-CG2 3.91Å; K58-T440 HydrophobicContact CD-CG2 3.86Å; K58-T440 HydrophobicContact CG-CG2 3.91Å; K58-Q441 PolarHBondContact N-O 3.1Å; K58-A443 PolarHBondContact O-N 2.76Å
59	G	95.3	Very high	95.3	Very high	61 Å²	61	41.2 Å²	41.2	63%	0.629	23%	0.232	S	C	*	.	S	Bend	trans	84.1	15.9	176.5	0	0	0	0	0	114.4	K70	G59-K70 PolarHBondContact N-O 2.87Å
60	F	95.2	Very high	95.3	Very high	11 Å²	11	46 Å²	46	5%	0.048	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-77.6	167	167.4	51.7	-116.8	0	0	0	111.4	R57 I63 S71 D72 D119 I127 A443	R57-F60 HydrophobicContact CB-CD1 3.94Å; R57-F60 HydrophobicContact CB-CE1 4.05Å; R57-F60 WeakPolarHBondContact O-CE1 3.38Å; F60-I63 HydrophobicContact CE2-CD1 3.72Å; F60-I63 HydrophobicContact CE2-CG1 3.9Å; F60-I63 HydrophobicContact CZ-CD1 4.05Å; F60-S71 VanDerWaalsContact CZ-C 3.42Å; F60-S71 VanDerWaalsContact CZ-CA 3.4Å; F60-D72 HydrophobicContact CE1-CB 4.43Å; F60-D72 HydrophobicContact CZ-CB 4.16Å; F60-D119 HydrophobicContact CB-CB 3.77Å; F60-D119 WeakPolarHBondContact CB-O 3.44Å; F60-D119 HydrophobicContact CD1-CB 3.79Å; F60-D119 HydrophobicContact CG-CB 4.07Å; F60-I127 HydrophobicContact CD1-CG2 4.27Å; F60-I127 HydrophobicContact CE1-CG2 3.95Å; F60-I127 HydrophobicContact CE2-CG2 4.46Å; F60-I127 HydrophobicContact CZ-CG2 4.03Å; F60-A443 HydrophobicContact CB-CB 3.77Å; F60-A443 HydrophobicContact CD1-CB 4.3Å
61	S	93	Very high	95.3	Very high	51 Å²	51	47.7 Å²	47.7	36%	0.357	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-59.3	139	177.3	60.3	0	0	0	0	111.4
62	P	95.2	Very high	95.3	Very high	29 Å²	29	47.7 Å²	47.7	19%	0.188	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-48.5	140	-179.2	-26.2	32.8	0	0	0	113.6	S65 P69 K70 R121	P62-S65 WeakPolarHBondContact CB-O 3.32Å; P62-P69 WeakPolarHBondContact CA-O 3.47Å; P62-K70 HydrophobicContact CB-CG 4.37Å; P62-K70 HydrophobicContact CG-CD 4.16Å; P62-K70 HydrophobicContact CG-CG 3.99Å; P62-R121 PolarHBondContact O-NE 3.48Å; P62-R121 PolarHBondContact O-NH2 2.92Å
63	I	94.7	Very high	95.3	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	28%	0.279	C	S	.	.	S	Bend	trans	-88.2	125.9	178.2	-57.4	170.1	0	0	0	110.3	F60 S65 G68 P69 W75 I127 Q128 T131 L132 I141	F60-I63 HydrophobicContact CE2-CD1 3.72Å; F60-I63 HydrophobicContact CE2-CG1 3.9Å; F60-I63 HydrophobicContact CZ-CD1 4.05Å; I63-S65 VanDerWaalsContact C-N 3.32Å; I63-S65 PolarHBondContact O-N 3.43Å; I63-G68 WeakPolarHBondContact O-CA 3.38Å; I63-P69 PolarHBondContact N-O 3.07Å; I63-W75 HydrophobicContact CD1-CH2 3.7Å; I63-W75 HydrophobicContact CD1-CZ2 3.94Å; I63-I127 HydrophobicContact CD1-CG1 4.32Å; I63-I127 HydrophobicContact CD1-CG2 4.47Å; I63-Q128 HydrophobicContact CG1-CG 4.02Å; I63-T131 HydrophobicContact CG2-CG2 3.95Å; I63-L132 HydrophobicContact CG2-CD2 4.44Å; I63-L132 HydrophobicContact CG2-CG 4.4Å; I63-I141 HydrophobicContact CB-CG2 4.37Å; I63-I141 HydrophobicContact CG2-CG2 4.05Å
64	G	90.1	Very high	95.1	Very high	35 Å²	35	50.2 Å²	50.2	36%	0.361	30%	0.297	S	S	.	.	S	Bend	trans	80.4	-63.2	174.8	0	0	0	0	0	114.6
65	S	90.1	Very high	95	Very high	64 Å²	64	51.5 Å²	51.5	45%	0.448	30%	0.302	S	S	.	.	S	Bend	trans	-126.5	169.5	-178.8	73.6	0	0	0	0	111.8	P62 I63 N67 G68	P62-S65 WeakPolarHBondContact CB-O 3.32Å; I63-S65 VanDerWaalsContact C-N 3.32Å; I63-S65 PolarHBondContact O-N 3.43Å; S65-N67 PolarHBondContact O-N 3.06Å; S65-N67 PolarHBondContact OG-N 3.31Å; S65-G68 PolarHBondContact O-N 3.27Å; S65-G68 PolarHBondContact OG-N 3.11Å
66	R	90.1	Very high	95	Very high	224 Å²	224	51.5 Å²	51.5	85%	0.845	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-31.2	175.1	-171.8	178.4	-178.1	-156.4	1.4	112.6
67	N	91.2	Very high	95	Very high	153 Å²	153	51 Å²	51	82%	0.818	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	4.8	178.5	-63.3	-21.7	0	0	0	113.1	S65	S65-N67 PolarHBondContact O-N 3.06Å; S65-N67 PolarHBondContact OG-N 3.31Å
68	G	94	Very high	95	Very high	11 Å²	11	51 Å²	51	11%	0.113	30%	0.3	C	S	.	.	S	Bend	trans	-68	168.6	179.8	0	0	0	0	0	113.6	I63 S65 K70	I63-G68 WeakPolarHBondContact O-CA 3.38Å; S65-G68 PolarHBondContact O-N 3.27Å; S65-G68 PolarHBondContact OG-N 3.11Å; G68-K70 PolarHBondContact O-N 3.14Å
69	P	96.2	Very high	95.1	Very high	39 Å²	39	45.5 Å²	45.5	25%	0.253	28%	0.276	S	S	.	.			trans	-57.3	135.7	-179.2	-24	33.5	0	0	0	112.2	P62 I63 W75 I141	P62-P69 WeakPolarHBondContact CA-O 3.47Å; I63-P69 PolarHBondContact N-O 3.07Å; P69-W75 HydrophobicContact CB-CZ2 3.94Å; P69-W75 HydrophobicContact CG-CZ2 4.26Å; P69-I141 HydrophobicContact CG-CG2 3.9Å
70	K	96.8	Very high	95.2	Very high	124 Å²	124	42.8 Å²	42.8	54%	0.539	25%	0.247	S	C	.	.	S	Bend	trans	-107.7	9.9	172.6	-50.3	-174.5	-163	-174.9	0	112.3	G59 P62 G68	G59-K70 PolarHBondContact N-O 2.87Å; P62-K70 HydrophobicContact CB-CG 4.37Å; P62-K70 HydrophobicContact CG-CD 4.16Å; P62-K70 HydrophobicContact CG-CG 3.99Å; G68-K70 PolarHBondContact O-N 3.14Å
71	S	97.5	Very high	95.4	Very high	36 Å²	36	42.2 Å²	42.2	25%	0.252	25%	0.245	S	C	.	.	B	Isolated β-bridge	trans	-152.3	143.7	177.7	179.6	0	0	0	0	108	R57 F60 A73 W75	R57-S71 VanDerWaalsContact O-CA 3.28Å; R57-S71 WeakPolarHBondContact O-CA 3.39Å; R57-S71 PolarHBondContact O-OG 3.41Å; F60-S71 VanDerWaalsContact CZ-C 3.42Å; F60-S71 VanDerWaalsContact CZ-CA 3.4Å; S71-A73 WeakPolarHBondContact OG-CB 3.42Å; S71-A73 PolarHBondContact OG-N 3.42Å; S71-W75 PolarHBondContact O-NE1 3.42Å
72	D	97.8	Very high	95.7	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.228	C	C	.	.			trans	-100.7	3.4	174.2	71.4	-58.9	0	0	0	113.4	Y56 R57 F60 G74 W75 G76 R80 I127	Y56-D72 WeakPolarHBondContact CD1-O 3.42Å; Y56-D72 WeakPolarHBondContact CD1-OD2 3.36Å; Y56-D72 VanDerWaalsContact CE1-O 3.28Å; Y56-D72 WeakPolarHBondContact CE1-O 3.45Å; R57-D72 PolarHBondContact N-OD1 2.87Å; R57-D72 PolarHBondContact O-N 2.77Å; R57-D72 VanDerWaalsContact O-OD1 3.14Å; F60-D72 HydrophobicContact CE1-CB 4.43Å; F60-D72 HydrophobicContact CZ-CB 4.16Å; D72-G74 PolarHBondContact O-N 2.81Å; D72-W75 VanDerWaalsContact CA-CE2 3.49Å; D72-W75 HydrophobicContact CB-CD2 4.5Å; D72-W75 HydrophobicContact CB-CH2 4.11Å; D72-W75 HydrophobicContact CB-CZ2 3.72Å; D72-W75 PolarHBondContact O-N 3.2Å; D72-G76 PolarHBondContact O-N 2.84Å; D72-R80 IonicContact OD1-CZ 2.68Å; D72-R80 IonicContact OD1-NE 2.92Å; D72-R80 IonicContact OD1-NH2 2.74Å; D72-R80 PolarHBondContact OD1-NH2 3.13Å; D72-R80 IonicContact OD2-CZ 3.19Å; D72-R80 IonicContact OD2-NE 3.86Å; D72-R80 PolarHBondContact OD2-NE 3.24Å; D72-R80 IonicContact OD2-NH2 3.69Å; D72-R80 PolarHBondContact OD2-NH2 3.47Å; D72-I127 HydrophobicContact CB-CD1 4.18Å; D72-I127 HydrophobicContact CB-CG1 3.88Å
73	A	97.1	Very high	95.8	Very high	40 Å²	40	38.4 Å²	38.4	33%	0.331	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	127.7	175.5	0	0	0	0	0	111.6	Y56 S71 T440	Y56-A73 HydrophobicContact CD2-CB 4.15Å; Y56-A73 HydrophobicContact CG-CB 4.19Å; S71-A73 WeakPolarHBondContact OG-CB 3.42Å; S71-A73 PolarHBondContact OG-N 3.42Å; A73-T440 HydrophobicContact CB-CG2 4.32Å; A73-T440 WeakPolarHBondContact CB-OG1 3.49Å
74	G	94.4	Very high	96	Very high	50 Å²	50	38.4 Å²	38.4	52%	0.515	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.1	-10.1	178.2	0	0	0	0	0	115.6	D72	D72-G74 PolarHBondContact O-N 2.81Å
75	W	95.9	Very high	96.4	Very high	28 Å²	28	36.8 Å²	36.8	11%	0.106	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-142.7	-25	-178.6	61.3	-89.5	0	0	0	114.6	I63 P69 S71 D72 C77 H79 I127 T131 G142	I63-W75 HydrophobicContact CD1-CH2 3.7Å; I63-W75 HydrophobicContact CD1-CZ2 3.94Å; P69-W75 HydrophobicContact CB-CZ2 3.94Å; P69-W75 HydrophobicContact CG-CZ2 4.26Å; S71-W75 PolarHBondContact O-NE1 3.42Å; D72-W75 VanDerWaalsContact CA-CE2 3.49Å; D72-W75 HydrophobicContact CB-CD2 4.5Å; D72-W75 HydrophobicContact CB-CH2 4.11Å; D72-W75 HydrophobicContact CB-CZ2 3.72Å; D72-W75 PolarHBondContact O-N 3.2Å; W75-C77 VanDerWaalsContact C-N 3.35Å; W75-C77 PolarHBondContact O-N 3.05Å; W75-H79 AromaticContact CE3-CE1 3.98Å; W75-H79 AromaticContact CZ3-CE1 3.83Å; W75-H79 AromaticContact CZ3-NE2 3.79Å; W75-I127 HydrophobicContact CH2-CG1 4.42Å; W75-T131 HydrophobicContact CH2-CG2 4.16Å; W75-T131 HydrophobicContact CZ3-CG2 4.12Å; W75-T131 WeakPolarHBondContact CZ3-OG1 3.5Å; W75-G142 WeakPolarHBondContact CB-O 3.47Å
76	G	97.7	Very high	96.8	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.18	C	C	.	.			trans	-78.8	-0.7	-174.9	0	0	0	0	0	116.2	D72 M78 H79 R80	D72-G76 PolarHBondContact O-N 2.84Å; G76-M78 VanDerWaalsContact C-N 3.34Å; G76-M78 PolarHBondContact O-N 2.83Å; G76-H79 WeakPolarHBondContact O-CA 3.19Å; G76-H79 WeakPolarHBondContact O-CB 3.37Å; G76-H79 PolarHBondContact O-N 2.96Å; G76-R80 WeakPolarHBondContact O-CG 3.25Å; G76-R80 PolarHBondContact O-N 3.37Å
77	C	97.9	Very high	97.2	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-60.6	-40.9	-165.3	49.9	0	0	0	0	113	Y56 W75 H79 R80 C81 A421 P437 H438	Y56-C77 HydrophobicContact CE1-CB 3.99Å; Y56-C77 VanDerWaalsContact CE1-N 3.35Å; Y56-C77 VanDerWaalsContact OH-CB 3.29Å; Y56-C77 WeakPolarHBondContact OH-CB 3.4Å; W75-C77 VanDerWaalsContact C-N 3.35Å; W75-C77 PolarHBondContact O-N 3.05Å; C77-H79 VanDerWaalsContact C-N 3.33Å; C77-H79 PolarHBondContact O-N 3.34Å; C77-R80 PolarHBondContact O-N 3.26Å; C77-C81 PolarHBondContact O-N 2.89Å; C77-C81 PolarHBondContact O-SG 2.84Å; C77-A421 HydrophobicContact CB-CB 3.94Å; C77-P437 HydrophobicContact CB-CG 3.79Å; C77-H438 VanDerWaalsContact CB-NE2 3.34Å; C77-H438 WeakPolarHBondContact CB-NE2 3.35Å
78	M	98.1	Very high	97.6	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-70.9	-29.4	175.5	-172.3	59.2	70.2	0	0	112.6	G76 R80 C81 G82 W144 F145 P147 V150 L414 A421	G76-M78 VanDerWaalsContact C-N 3.34Å; G76-M78 PolarHBondContact O-N 2.83Å; M78-R80 VanDerWaalsContact C-N 3.34Å; M78-C81 PolarHBondContact O-N 3.32Å; M78-C81 HydrophobicContact SD-CB 4.18Å; M78-G82 PolarHBondContact O-N 3Å; M78-W144 HydrophobicContact CB-CZ2 4.48Å; M78-W144 HydrophobicContact CE-CZ2 3.89Å; M78-F145 HydrophobicContact CB-CB 4.3Å; M78-F145 WeakPolarHBondContact CB-O 3.42Å; M78-F145 HydrophobicContact CG-CB 4.24Å; M78-F145 WeakPolarHBondContact CG-O 3.33Å; M78-P147 HydrophobicContact CE-CB 4.39Å; M78-P147 HydrophobicContact CE-CG 3.63Å; M78-P147 HydrophobicContact SD-CG 4.41Å; M78-V150 HydrophobicContact CG-CB 4.14Å; M78-V150 HydrophobicContact CG-CG1 3.69Å; M78-V150 HydrophobicContact SD-CG1 3.96Å; M78-L414 HydrophobicContact SD-CB 4.3Å; M78-A421 HydrophobicContact CB-CB 3.97Å; M78-A421 HydrophobicContact CE-CB 3.56Å; M78-A421 HydrophobicContact SD-CB 4.24Å
79	H	98.2	Very high	97.8	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-62.4	-47.1	172.8	-60.9	63.6	0	0	0	109.6	W75 G76 C77 G82 Q83 I127 I130 T131 F145	W75-H79 AromaticContact CE3-CE1 3.98Å; W75-H79 AromaticContact CZ3-CE1 3.83Å; W75-H79 AromaticContact CZ3-NE2 3.79Å; G76-H79 WeakPolarHBondContact O-CA 3.19Å; G76-H79 WeakPolarHBondContact O-CB 3.37Å; G76-H79 PolarHBondContact O-N 2.96Å; C77-H79 VanDerWaalsContact C-N 3.33Å; C77-H79 PolarHBondContact O-N 3.34Å; H79-G82 WeakPolarHBondContact O-CA 3.4Å; H79-G82 PolarHBondContact O-N 2.89Å; H79-Q83 WeakPolarHBondContact O-CG 3.41Å; H79-Q83 PolarHBondContact O-N 3.2Å; H79-I127 HydrophobicContact CB-CD1 3.41Å; H79-I127 VanDerWaalsContact CB-CD1 3.41Å; H79-I130 HydrophobicContact CB-CG2 4.19Å; H79-I130 VanDerWaalsContact CD2-CG2 3.44Å; H79-I130 WeakPolarHBondContact CD2-CG2 3.45Å; H79-T131 PolarHBondContact CD2-OG1 3.03Å; H79-T131 PolarHBondContact NE2-OG1 2.92Å; H79-F145 AromaticContact CD2-CE2 3.75Å; H79-F145 AromaticContact CE1-CD1 3.58Å; H79-F145 AromaticContact CE1-CD2 3.65Å; H79-F145 AromaticContact CE1-CE1 3.59Å; H79-F145 AromaticContact CE1-CE2 3.69Å; H79-F145 AromaticContact CE1-CG 3.58Å; H79-F145 AromaticContact CE1-CZ 3.65Å; H79-F145 AromaticContact NE2-CD2 3.68Å; H79-F145 AromaticContact NE2-CE1 3.6Å; H79-F145 AromaticContact NE2-CE2 3.25Å; H79-F145 WeakPolarHBondContact NE2-CE2 3.41Å; H79-F145 AromaticContact NE2-CZ 3.19Å; H79-F145 WeakPolarHBondContact NE2-CZ 3.24Å
80	R	98.5	Very high	97.9	Very high	3 Å²	3	13.4 Å²	13.4	1%	0.011	8%	0.084	C	C	.	.	H	α-helix	trans	-62.2	-42.2	176.6	-61.6	-50.8	-179.1	172.9	3.7	112.7	M54 T55 D72 G76 C77 M78 G82 Q83 M84 D119 P437	M54-R80 HydrophobicContact CB-CB 4.46Å; M54-R80 WeakPolarHBondContact O-CB 3.27Å; T55-R80 WeakPolarHBondContact O-CD 3.48Å; T55-R80 PolarHBondContact O-NE 2.9Å; D72-R80 IonicContact OD1-CZ 2.68Å; D72-R80 IonicContact OD1-NE 2.92Å; D72-R80 IonicContact OD1-NH2 2.74Å; D72-R80 PolarHBondContact OD1-NH2 3.13Å; D72-R80 IonicContact OD2-CZ 3.19Å; D72-R80 IonicContact OD2-NE 3.86Å; D72-R80 PolarHBondContact OD2-NE 3.24Å; D72-R80 IonicContact OD2-NH2 3.69Å; D72-R80 PolarHBondContact OD2-NH2 3.47Å; G76-R80 WeakPolarHBondContact O-CG 3.25Å; G76-R80 PolarHBondContact O-N 3.37Å; C77-R80 PolarHBondContact O-N 3.26Å; M78-R80 VanDerWaalsContact C-N 3.34Å; R80-G82 VanDerWaalsContact C-N 3.31Å; R80-G82 PolarHBondContact O-N 3.1Å; R80-Q83 WeakPolarHBondContact O-CB 3.31Å; R80-Q83 PolarHBondContact O-N 2.84Å; R80-Q83 VanDerWaalsContact O-N 3.16Å; R80-M84 WeakPolarHBondContact O-CG 3.46Å; R80-M84 PolarHBondContact O-N 3.26Å; R80-D119 IonicContact CZ-OD1 2.7Å; R80-D119 IonicContact NH1-OD1 2.98Å; R80-D119 PolarHBondContact NH1-OD1 2.78Å; R80-D119 IonicContact NH2-OD1 3.65Å; R80-D119 PolarHBondContact NH2-OD1 3.33Å; R80-P437 HydrophobicContact CB-CB 3.62Å; R80-P437 HydrophobicContact CB-CG 4.45Å; R80-P437 HydrophobicContact CG-CB 4.21Å
81	C	98.6	Very high	97.9	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-60.8	-41.9	173.3	-62.9	0	0	0	0	111.8	C77 M78 Q83 M84 I85 L414 V422 W423	C77-C81 PolarHBondContact O-N 2.89Å; C77-C81 PolarHBondContact O-SG 2.84Å; M78-C81 PolarHBondContact O-N 3.32Å; M78-C81 HydrophobicContact SD-CB 4.18Å; C81-Q83 VanDerWaalsContact C-N 3.35Å; C81-Q83 PolarHBondContact O-N 2.91Å; C81-M84 HydrophobicContact CB-CE 4.45Å; C81-M84 PolarHBondContact O-N 3.46Å; C81-I85 PolarHBondContact O-N 3.07Å; C81-L414 VanDerWaalsContact C-CD2 3.5Å; C81-L414 HydrophobicContact CB-CD2 3.74Å; C81-L414 WeakPolarHBondContact O-CD2 3.41Å; C81-V422 VanDerWaalsContact SG-CA 3.55Å; C81-W423 HydrophobicContact CB-CB 4.47Å
82	G	98.7	Very high	97.9	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-59.8	-41.4	172.6	0	0	0	0	0	113.2	M78 H79 R80 I85 L86 L154	M78-G82 PolarHBondContact O-N 3Å; H79-G82 WeakPolarHBondContact O-CA 3.4Å; H79-G82 PolarHBondContact O-N 2.89Å; R80-G82 VanDerWaalsContact C-N 3.31Å; R80-G82 PolarHBondContact O-N 3.1Å; G82-I85 WeakPolarHBondContact O-CG2 3.45Å; G82-L86 WeakPolarHBondContact O-CB 3.25Å; G82-L86 PolarHBondContact O-N 2.87Å; G82-L154 WeakPolarHBondContact O-CD1 3.26Å
83	Q	98.7	Very high	97.8	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-60.5	-47.7	173	-68.2	-178.1	-51.1	0	0	111.3	M54 H79 R80 C81 L86 A87 F117 Y125 I130	M54-Q83 HydrophobicContact CB-CB 4.15Å; M54-Q83 HydrophobicContact CG-CB 3.98Å; H79-Q83 WeakPolarHBondContact O-CG 3.41Å; H79-Q83 PolarHBondContact O-N 3.2Å; R80-Q83 WeakPolarHBondContact O-CB 3.31Å; R80-Q83 PolarHBondContact O-N 2.84Å; R80-Q83 VanDerWaalsContact O-N 3.16Å; C81-Q83 VanDerWaalsContact C-N 3.35Å; C81-Q83 PolarHBondContact O-N 2.91Å; Q83-L86 PolarHBondContact O-N 3.15Å; Q83-A87 WeakPolarHBondContact O-CB 3.37Å; Q83-A87 PolarHBondContact O-N 3.38Å; Q83-F117 HydrophobicContact CB-CD1 3.8Å; Q83-F117 HydrophobicContact CB-CE1 4.13Å; Q83-F117 HydrophobicContact CG-CD1 3.97Å; Q83-F117 HydrophobicContact CG-CE1 4.48Å; Q83-F117 WeakPolarHBondContact O-CE1 3.45Å; Q83-Y125 PolarHBondContact NE2-O 2.9Å; Q83-I130 HydrophobicContact CG-CD1 3.46Å; Q83-I130 VanDerWaalsContact CG-CD1 3.46Å
84	M	98.8	Very high	97.8	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-62.6	-46.1	-177.3	-66.3	-171.6	-78.7	0	0	112.9	L52 M54 R80 C81 L86 A87 E88 W423 L435 P437	L52-M84 WeakPolarHBondContact O-CG 3.4Å; M54-M84 HydrophobicContact CB-CG 3.82Å; M54-M84 PolarHBondContact N-SD 3.47Å; R80-M84 WeakPolarHBondContact O-CG 3.46Å; R80-M84 PolarHBondContact O-N 3.26Å; C81-M84 HydrophobicContact CB-CE 4.45Å; C81-M84 PolarHBondContact O-N 3.46Å; M84-L86 VanDerWaalsContact C-N 3.34Å; M84-L86 PolarHBondContact O-N 2.9Å; M84-A87 PolarHBondContact O-N 3.39Å; M84-E88 PolarHBondContact O-N 3.09Å; M84-W423 HydrophobicContact CB-CB 4.47Å; M84-W423 HydrophobicContact CB-CD2 3.87Å; M84-W423 HydrophobicContact CB-CE3 3.45Å; M84-W423 VanDerWaalsContact CB-CE3 3.45Å; M84-W423 HydrophobicContact CB-CG 4.33Å; M84-W423 HydrophobicContact CB-CZ3 3.93Å; M84-W423 HydrophobicContact CE-CB 3.72Å; M84-W423 HydrophobicContact CG-CE3 4.21Å; M84-W423 HydrophobicContact SD-CB 4.5Å; M84-W423 HydrophobicContact SD-CE3 3.94Å; M84-L435 HydrophobicContact CE-CB 4.49Å; M84-L435 HydrophobicContact SD-CB 4.01Å; M84-L435 HydrophobicContact SD-CD1 4.48Å; M84-P437 HydrophobicContact CE-CB 4.36Å
85	I	98.8	Very high	97.9	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-66.5	-36.3	-180	-163.7	162.1	0	0	0	112.3	C81 G82 A89 F383 V411 L414	C81-I85 PolarHBondContact O-N 3.07Å; G82-I85 WeakPolarHBondContact O-CG2 3.45Å; I85-A89 PolarHBondContact O-N 2.59Å; I85-F383 HydrophobicContact CD1-CE1 4Å; I85-F383 HydrophobicContact CG1-CE1 4.31Å; I85-F383 HydrophobicContact CG2-CE1 4.14Å; I85-F383 HydrophobicContact CG2-CZ 4.08Å; I85-V411 HydrophobicContact CD1-CG2 4.18Å; I85-V411 HydrophobicContact CG1-CB 4.39Å; I85-V411 HydrophobicContact CG1-CG2 3.81Å; I85-L414 HydrophobicContact CB-CD2 4Å; I85-L414 HydrophobicContact CD1-CD2 4.23Å; I85-L414 HydrophobicContact CD1-CG 4.01Å; I85-L414 HydrophobicContact CG2-CD1 4.1Å; I85-L414 HydrophobicContact CG2-CD2 3.7Å; I85-L414 HydrophobicContact CG2-CG 4.1Å
86	L	98.8	Very high	97.9	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-70.4	-41.8	175.5	179.5	60.6	0	0	0	111.1	G82 Q83 M84 E88 A89 M90 F117 Y125 L154 L166 I168 L381	G82-L86 WeakPolarHBondContact O-CB 3.25Å; G82-L86 PolarHBondContact O-N 2.87Å; Q83-L86 PolarHBondContact O-N 3.15Å; M84-L86 VanDerWaalsContact C-N 3.34Å; M84-L86 PolarHBondContact O-N 2.9Å; L86-E88 VanDerWaalsContact C-N 3.3Å; L86-E88 PolarHBondContact O-N 3.02Å; L86-A89 WeakPolarHBondContact O-CB 3.25Å; L86-A89 PolarHBondContact O-N 3.23Å; L86-M90 HydrophobicContact CD1-CG 4.35Å; L86-M90 HydrophobicContact CD1-SD 4.33Å; L86-M90 HydrophobicContact CD2-SD 4.49Å; L86-M90 HydrophobicContact CG-CG 4.48Å; L86-M90 HydrophobicContact CG-SD 3.99Å; L86-M90 WeakPolarHBondContact O-CG 3.5Å; L86-M90 PolarHBondContact O-N 2.9Å; L86-F117 HydrophobicContact CB-CE1 4.36Å; L86-F117 HydrophobicContact CB-CZ 4.33Å; L86-F117 HydrophobicContact CD2-CE1 4.21Å; L86-F117 HydrophobicContact CD2-CZ 4.22Å; L86-F117 HydrophobicContact CG-CE1 4.35Å; L86-F117 HydrophobicContact CG-CZ 4.05Å; L86-Y125 HydrophobicContact CD2-CD1 3.56Å; L86-Y125 HydrophobicContact CD2-CD2 3.92Å; L86-Y125 HydrophobicContact CD2-CE1 3.54Å; L86-Y125 HydrophobicContact CD2-CE2 3.9Å; L86-Y125 HydrophobicContact CD2-CG 3.75Å; L86-L154 HydrophobicContact CB-CD1 4.24Å; L86-L154 HydrophobicContact CD2-CD2 3.9Å; L86-L166 HydrophobicContact CD1-CD2 3.61Å; L86-I168 HydrophobicContact CD1-CD1 4.14Å; L86-L381 HydrophobicContact CD1-CD2 3.84Å
87	A	98.5	Very high	97.7	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-60.4	-40.5	176	0	0	0	0	0	111.1	L52 Q83 M84 M90 L91 L113 F117	L52-A87 HydrophobicContact CB-CB 4.06Å; L52-A87 HydrophobicContact CD1-CB 3.93Å; Q83-A87 WeakPolarHBondContact O-CB 3.37Å; Q83-A87 PolarHBondContact O-N 3.38Å; M84-A87 PolarHBondContact O-N 3.39Å; A87-M90 PolarHBondContact O-N 2.84Å; A87-L91 WeakPolarHBondContact O-CB 3.46Å; A87-L91 PolarHBondContact O-N 3.08Å; A87-L113 HydrophobicContact CB-CD2 4.36Å; A87-F117 HydrophobicContact CB-CD2 4.29Å; A87-F117 HydrophobicContact CB-CE1 4.22Å; A87-F117 HydrophobicContact CB-CE2 3.77Å; A87-F117 HydrophobicContact CB-CZ 3.72Å
88	E	98.6	Very high	97.6	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.005	10%	0.098	C	C	.	.	H	α-helix	trans	-61.7	-43.2	173.4	174.4	61.9	177.7	0	0	112.4	L31 R51 M84 L86 L91 R92 V411 W423	L31-E88 HydrophobicContact CD1-CG 4.18Å; L31-E88 WeakPolarHBondContact CD1-OE1 3.43Å; R51-E88 WeakPolarHBondContact CD-OE2 3.29Å; R51-E88 IonicContact CZ-OE1 3.19Å; R51-E88 IonicContact CZ-OE2 2.81Å; R51-E88 IonicContact NE-OE2 3.2Å; R51-E88 PolarHBondContact NE-OE2 3.25Å; R51-E88 VanDerWaalsContact NH1-CD 3.33Å; R51-E88 IonicContact NH1-OE1 3.7Å; R51-E88 PolarHBondContact NH1-OE1 3.02Å; R51-E88 IonicContact NH1-OE2 3.89Å; R51-E88 PolarHBondContact NH1-OE2 2.92Å; M84-E88 PolarHBondContact O-N 3.09Å; L86-E88 VanDerWaalsContact C-N 3.3Å; L86-E88 PolarHBondContact O-N 3.02Å; E88-L91 PolarHBondContact O-N 3.36Å; E88-R92 WeakPolarHBondContact O-CG 3.43Å; E88-R92 PolarHBondContact O-N 2.99Å; E88-R92 IonicContact OE1-CZ 2.74Å; E88-R92 IonicContact OE1-NE 3.73Å; E88-R92 PolarHBondContact OE1-NE 2.86Å; E88-R92 IonicContact OE1-NH2 2.76Å; E88-R92 PolarHBondContact OE1-NH2 2.89Å; E88-V411 HydrophobicContact CG-CB 4.06Å; E88-V411 HydrophobicContact CG-CG1 4.17Å; E88-W423 HydrophobicContact CB-CH2 3.67Å; E88-W423 HydrophobicContact CB-CZ2 3.66Å; E88-W423 HydrophobicContact CG-CH2 4.07Å; E88-W423 HydrophobicContact CG-CZ2 3.91Å
89	A	98.5	Very high	97.4	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-61.9	-47.1	176.9	0	0	0	0	0	111.5	I85 L86 F93 L381 L478	I85-A89 PolarHBondContact O-N 2.59Å; L86-A89 WeakPolarHBondContact O-CB 3.25Å; L86-A89 PolarHBondContact O-N 3.23Å; A89-F93 WeakPolarHBondContact O-CB 3.44Å; A89-F93 PolarHBondContact O-N 3.45Å; A89-L381 HydrophobicContact CB-CD1 3.98Å; A89-L381 HydrophobicContact CB-CD2 3.94Å; A89-L381 HydrophobicContact CB-CG 4.46Å; A89-L478 HydrophobicContact CB-CD1 4.28Å; A89-L478 WeakPolarHBondContact O-CD2 3.31Å
90	M	98	Very high	97.3	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-65.4	-39.1	177.4	-69.3	172.5	69.9	0	0	112.2	L86 A87 F93 H94 L113 M116 F117 Y125 W163 T164	L86-M90 HydrophobicContact CD1-CG 4.35Å; L86-M90 HydrophobicContact CD1-SD 4.33Å; L86-M90 HydrophobicContact CD2-SD 4.49Å; L86-M90 HydrophobicContact CG-CG 4.48Å; L86-M90 HydrophobicContact CG-SD 3.99Å; L86-M90 WeakPolarHBondContact O-CG 3.5Å; L86-M90 PolarHBondContact O-N 2.9Å; A87-M90 PolarHBondContact O-N 2.84Å; M90-F93 PolarHBondContact O-N 3.24Å; M90-H94 WeakPolarHBondContact O-CB 3.26Å; M90-H94 PolarHBondContact O-CD2 3.47Å; M90-H94 PolarHBondContact O-N 2.89Å; M90-L113 HydrophobicContact CB-CD1 3.64Å; M90-L113 HydrophobicContact CB-CG 4.15Å; M90-L113 HydrophobicContact CE-CG 4.28Å; M90-M116 HydrophobicContact CE-CE 3.74Å; M90-M116 HydrophobicContact CE-SD 3.43Å; M90-M116 WeakPolarHBondContact CE-SD 3.43Å; M90-F117 HydrophobicContact CE-CE2 4.36Å; M90-F117 HydrophobicContact SD-CE2 3.82Å; M90-F117 HydrophobicContact SD-CZ 3.66Å; M90-Y125 HydrophobicContact CE-CD2 4.47Å; M90-Y125 HydrophobicContact CE-CE2 3.96Å; M90-Y125 HydrophobicContact SD-CD2 4.1Å; M90-Y125 HydrophobicContact SD-CE2 3.65Å; M90-W163 HydrophobicContact CE-CZ3 4.31Å; M90-T164 WeakPolarHBondContact CE-OG1 3.13Å; M90-T164 HydrophobicContact CG-CG2 4.17Å
91	L	97.5	Very high	97.2	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-65.1	-45.9	-179.9	-179	141.3	0	0	0	110.5	L52 A87 E88 F93 L95 G96 W99 L113	L52-L91 HydrophobicContact CD1-CD1 4.18Å; L52-L91 HydrophobicContact CG-CD1 4.26Å; A87-L91 WeakPolarHBondContact O-CB 3.46Å; A87-L91 PolarHBondContact O-N 3.08Å; E88-L91 PolarHBondContact O-N 3.36Å; L91-F93 VanDerWaalsContact C-N 3.31Å; L91-F93 PolarHBondContact O-N 3.48Å; L91-L95 HydrophobicContact CG-CD1 4.26Å; L91-L95 WeakPolarHBondContact O-CA 2.93Å; L91-L95 WeakPolarHBondContact O-CB 3.43Å; L91-L95 PolarHBondContact O-N 3.39Å; L91-G96 PolarHBondContact O-N 3.19Å; L91-W99 HydrophobicContact CD1-CE3 3.92Å; L91-W99 HydrophobicContact CD1-CH2 4.33Å; L91-W99 HydrophobicContact CD1-CZ3 3.67Å; L91-W99 HydrophobicContact CD2-CE3 3.95Å; L91-W99 HydrophobicContact CD2-CZ3 4.48Å; L91-W99 HydrophobicContact CG-CE3 4.18Å; L91-W99 HydrophobicContact CG-CZ3 4.43Å; L91-L113 HydrophobicContact CB-CD1 3.9Å
92	R	97.3	Very high	96.9	Very high	19 Å²	19	24.5 Å²	24.5	7%	0.072	13%	0.131	C	C	.	.	H	α-helix	trans	-61.7	-39.2	173.6	-74	-176.3	-177.1	-159.1	-3.1	112.7	L31 E88 G96 P408 C410 L478	L31-R92 PolarHBondContact O-NH2 2.65Å; L31-R92 VanDerWaalsContact O-NH2 3.1Å; E88-R92 WeakPolarHBondContact O-CG 3.43Å; E88-R92 PolarHBondContact O-N 2.99Å; E88-R92 IonicContact OE1-CZ 2.74Å; E88-R92 IonicContact OE1-NE 3.73Å; E88-R92 PolarHBondContact OE1-NE 2.86Å; E88-R92 IonicContact OE1-NH2 2.76Å; E88-R92 PolarHBondContact OE1-NH2 2.89Å; R92-G96 WeakPolarHBondContact O-CA 3.1Å; R92-G96 PolarHBondContact O-N 2.9Å; R92-P408 PolarHBondContact NH1-O 3.27Å; R92-C410 PolarHBondContact NH1-O 2.9Å; R92-L478 HydrophobicContact CB-CD2 3.57Å; R92-L478 HydrophobicContact CG-CD2 4.49Å
93	F	96.3	Very high	96.3	Very high	70 Å²	70	27.7 Å²	27.7	31%	0.307	15%	0.152	S	C	.	.	H	α-helix	trans	-68.4	-47.9	-179.1	-179.9	-105	0	0	0	112.2	A89 M90 L91 T164 P379	A89-F93 WeakPolarHBondContact O-CB 3.44Å; A89-F93 PolarHBondContact O-N 3.45Å; M90-F93 PolarHBondContact O-N 3.24Å; L91-F93 VanDerWaalsContact C-N 3.31Å; L91-F93 PolarHBondContact O-N 3.48Å; F93-T164 HydrophobicContact CD1-CG2 3.72Å; F93-T164 HydrophobicContact CE1-CG2 4.16Å; F93-T164 HydrophobicContact CG-CG2 4.41Å; F93-P379 HydrophobicContact CD2-CB 3.99Å; F93-P379 HydrophobicContact CD2-CG 3.9Å; F93-P379 HydrophobicContact CE1-CG 4.46Å; F93-P379 HydrophobicContact CE2-CB 3.83Å; F93-P379 HydrophobicContact CE2-CG 3.21Å; F93-P379 HydrophobicContact CZ-CB 4.45Å; F93-P379 HydrophobicContact CZ-CG 3.55Å
94	H	96.8	Very high	95.7	Very high	42 Å²	42	34.6 Å²	34.6	19%	0.194	18%	0.184	C	C	.	.	H	α-helix	trans	-85.9	-33.6	-174.4	-68.8	-66.4	0	0	0	113.9	M90 W163 T164	M90-H94 WeakPolarHBondContact O-CB 3.26Å; M90-H94 PolarHBondContact O-CD2 3.47Å; M90-H94 PolarHBondContact O-N 2.89Å; H94-W163 HydrophobicContact CB-CZ2 4.43Å; H94-W163 AromaticContact CD2-CH2 3.7Å; H94-W163 AromaticContact CD2-CZ2 3.87Å; H94-W163 AromaticContact CE1-CD2 3.69Å; H94-W163 AromaticContact CE1-CE2 3.33Å; H94-W163 AromaticContact CE1-CZ2 3.55Å; H94-W163 AromaticContact CE1-NE1 3.56Å; H94-W163 AromaticContact CG-CH2 3.93Å; H94-W163 AromaticContact CG-CZ2 3.73Å; H94-W163 AromaticContact ND1-CE2 3.7Å; H94-W163 AromaticContact ND1-CZ2 3.53Å; H94-W163 AromaticContact ND1-NE1 3.91Å; H94-W163 AromaticContact NE2-CD2 3.78Å; H94-W163 AromaticContact NE2-CE2 3.73Å; H94-W163 AromaticContact NE2-CE3 3.8Å; H94-W163 AromaticContact NE2-CH2 3.8Å; H94-W163 AromaticContact NE2-CZ2 3.76Å; H94-W163 AromaticContact NE2-CZ3 3.81Å; H94-T164 PolarHBondContact NE2-OG1 2.83Å; H94-T164 VanDerWaalsContact NE2-OG1 3.07Å
95	L	96.6	Very high	95	Very high	33 Å²	33	36 Å²	36	17%	0.173	19%	0.191	C	C	.	.	H	α-helix	trans	-112.4	-11	-173.8	-60.6	171.9	0	0	0	113.4	L91 W99 S107 E109 Y110	L91-L95 HydrophobicContact CG-CD1 4.26Å; L91-L95 WeakPolarHBondContact O-CA 2.93Å; L91-L95 WeakPolarHBondContact O-CB 3.43Å; L91-L95 PolarHBondContact O-N 3.39Å; L95-W99 HydrophobicContact CB-CB 3.86Å; L95-W99 HydrophobicContact CB-CD2 4.3Å; L95-W99 HydrophobicContact CB-CG 3.69Å; L95-W99 HydrophobicContact CD1-CD2 3.97Å; L95-W99 HydrophobicContact CD1-CG 4.19Å; L95-W99 HydrophobicContact CD1-CZ2 4.1Å; L95-W99 HydrophobicContact CG-CG 4.47Å; L95-S107 WeakPolarHBondContact CD2-OG 3.45Å; L95-E109 HydrophobicContact CD2-CB 3.86Å; L95-Y110 HydrophobicContact CD1-CD2 4.41Å
96	G	95.6	Very high	94.3	Very high	27 Å²	27	44.1 Å²	44.1	28%	0.278	23%	0.229	S	C	.	.			trans	83.6	158.6	-176.4	0	0	0	0	0	113.2	L91 R92 S98 W99	L91-G96 PolarHBondContact O-N 3.19Å; R92-G96 WeakPolarHBondContact O-CA 3.1Å; R92-G96 PolarHBondContact O-N 2.9Å; G96-S98 PolarHBondContact O-N 3.34Å; G96-W99 VanDerWaalsContact O-CB 3.31Å; G96-W99 WeakPolarHBondContact O-CB 3.26Å; G96-W99 PolarHBondContact O-N 3.35Å
97	R	93.9	Very high	93.9	Very high	73 Å²	73	44.9 Å²	44.9	28%	0.275	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-32.9	-175.7	-174.8	176.8	-176	171.2	1.8	114.3	L31 G32 W99 P408	L31-R97 PolarHBondContact O-NH2 2.87Å; G32-R97 PolarHBondContact O-NH2 2.88Å; R97-W99 PolarHBondContact O-N 3.19Å; R97-P408 VanDerWaalsContact CZ-O 3.22Å; R97-P408 VanDerWaalsContact NH1-C 3.33Å; R97-P408 VanDerWaalsContact NH1-CB 3.32Å; R97-P408 PolarHBondContact NH1-O 3.2Å; R97-P408 PolarHBondContact NH2-O 2.92Å
98	S	94.2	Very high	93.6	Very high	107 Å²	107	49.3 Å²	49.3	75%	0.748	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-8.4	179.2	51.8	0	0	0	0	113	G96 K100	G96-S98 PolarHBondContact O-N 3.34Å; S98-K100 WeakPolarHBondContact O-CG 3.34Å
99	W	95.6	Very high	93.3	Very high	32 Å²	32	53.5 Å²	53.5	12%	0.121	28%	0.282	C	S	.	.			trans	-59.7	139.7	177.7	-176.1	93.8	0	0	0	111.7	S50 R51 L91 L95 G96 R97 W101 Q105 Y110	S50-W99 WeakPolarHBondContact O-CZ3 3.3Å; R51-W99 PolarHBondContact NH2-O 3.23Å; L91-W99 HydrophobicContact CD1-CE3 3.92Å; L91-W99 HydrophobicContact CD1-CH2 4.33Å; L91-W99 HydrophobicContact CD1-CZ3 3.67Å; L91-W99 HydrophobicContact CD2-CE3 3.95Å; L91-W99 HydrophobicContact CD2-CZ3 4.48Å; L91-W99 HydrophobicContact CG-CE3 4.18Å; L91-W99 HydrophobicContact CG-CZ3 4.43Å; L95-W99 HydrophobicContact CB-CB 3.86Å; L95-W99 HydrophobicContact CB-CD2 4.3Å; L95-W99 HydrophobicContact CB-CG 3.69Å; L95-W99 HydrophobicContact CD1-CD2 3.97Å; L95-W99 HydrophobicContact CD1-CG 4.19Å; L95-W99 HydrophobicContact CD1-CZ2 4.1Å; L95-W99 HydrophobicContact CG-CG 4.47Å; G96-W99 VanDerWaalsContact O-CB 3.31Å; G96-W99 WeakPolarHBondContact O-CB 3.26Å; G96-W99 PolarHBondContact O-N 3.35Å; R97-W99 PolarHBondContact O-N 3.19Å; W99-W101 HydrophobicContact CH2-CB 3.59Å; W99-W101 HydrophobicContact CH2-CG 4.24Å; W99-W101 HydrophobicContact CZ2-CB 4.41Å; W99-W101 HydrophobicContact CZ3-CB 3.86Å; W99-Q105 HydrophobicContact CZ2-CG 4.2Å; W99-Q105 VanDerWaalsContact CZ2-NE2 3.35Å; W99-Y110 AromaticContact CH2-CD2 3.58Å; W99-Y110 HydrophobicContact CH2-CD2 3.58Å; W99-Y110 AromaticContact CH2-CE2 3.68Å; W99-Y110 HydrophobicContact CH2-CE2 3.68Å; W99-Y110 HydrophobicContact CH2-CG 4.48Å; W99-Y110 AromaticContact CZ2-CD2 3.64Å; W99-Y110 HydrophobicContact CZ2-CD2 3.64Å; W99-Y110 HydrophobicContact CZ2-CE2 4.14Å; W99-Y110 HydrophobicContact CZ2-CG 4.14Å
100	K	95.3	Very high	93.2	Very high	32 Å²	32	53.5 Å²	53.5	14%	0.139	28%	0.282	C	S	.	.			trans	-138.9	140	-176.7	-65.3	-86.2	-176.4	-78.9	0	108.3	R46 S50 S98	R46-K100 HydrophobicContact CG-CD 4.36Å; S50-K100 VanDerWaalsContact OG-CA 3.31Å; S50-K100 WeakPolarHBondContact OG-CA 3.49Å; S50-K100 WeakPolarHBondContact OG-CD 3.36Å; S98-K100 WeakPolarHBondContact O-CG 3.34Å
101	W	95.6	Very high	92.9	Very high	34 Å²	34	55.3 Å²	55.3	13%	0.129	29%	0.289	C	S	.	.			trans	-78.9	149.2	-179.4	178	80.5	0	0	0	110.7	S50 W99 P103 Y110 Q454 H457	S50-W101 PolarHBondContact OG-N 3.17Å; W99-W101 HydrophobicContact CH2-CB 3.59Å; W99-W101 HydrophobicContact CH2-CG 4.24Å; W99-W101 HydrophobicContact CZ2-CB 4.41Å; W99-W101 HydrophobicContact CZ3-CB 3.86Å; W101-P103 HydrophobicContact CH2-CG 3.96Å; W101-P103 HydrophobicContact CZ3-CG 4.28Å; W101-Y110 AromaticContact CD1-CZ 3.89Å; W101-Q454 HydrophobicContact CH2-CG 4.33Å; W101-Q454 HydrophobicContact CZ2-CG 4.23Å; W101-H457 AromaticContact CD1-CD2 3.79Å; W101-H457 AromaticContact CD1-CE1 3.49Å; W101-H457 VanDerWaalsContact CD1-CE1 3.49Å; W101-H457 AromaticContact CD1-NE2 3.18Å; W101-H457 AromaticContact CD2-CD2 3.71Å; W101-H457 AromaticContact CD2-CE1 3.96Å; W101-H457 AromaticContact CD2-CG 3.81Å; W101-H457 AromaticContact CD2-ND1 3.95Å; W101-H457 AromaticContact CD2-NE2 3.86Å; W101-H457 AromaticContact CE2-CD2 3.44Å; W101-H457 VanDerWaalsContact CE2-CD2 3.44Å; W101-H457 AromaticContact CE2-CG 3.97Å; W101-H457 AromaticContact CE2-NE2 3.72Å; W101-H457 HydrophobicContact CE3-CB 4.43Å; W101-H457 AromaticContact CG-CD2 3.92Å; W101-H457 AromaticContact CG-CE1 3.42Å; W101-H457 VanDerWaalsContact CG-CE1 3.42Å; W101-H457 AromaticContact CG-ND1 3.79Å; W101-H457 AromaticContact CG-NE2 3.53Å; W101-H457 AromaticContact CZ2-CD2 3.9Å; W101-H457 HydrophobicContact CZ3-CB 4.48Å; W101-H457 AromaticContact NE1-CD2 3.49Å; W101-H457 PolarHBondContact NE1-CD2 2.98Å; W101-H457 AromaticContact NE1-NE2 3.29Å; W101-H457 PolarHBondContact NE1-NE2 3.36Å
102	S	92.2	Very high	92.8	Very high	45 Å²	45	61.2 Å²	61.2	32%	0.315	31%	0.312	S	S	.	.			trans	-142.5	153.7	167.7	60.5	0	0	0	0	108.4	E104 Q105	S102-E104 PolarHBondContact O-N 2.84Å; S102-E104 VanDerWaalsContact O-N 3.15Å; S102-Q105 VanDerWaalsContact O-CB 3.26Å; S102-Q105 WeakPolarHBondContact O-CB 3.09Å; S102-Q105 PolarHBondContact O-N 3.1Å; S102-Q105 VanDerWaalsContact O-N 3.08Å
103	P	87.1	Confident	92.6	Very high	67 Å²	67	60.3 Å²	60.3	44%	0.435	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-26.8	176.3	-25.5	35.2	0	0	0	113.9	W101 Q105	W101-P103 HydrophobicContact CH2-CG 3.96Å; W101-P103 HydrophobicContact CZ3-CG 4.28Å; P103-Q105 PolarHBondContact O-N 2.68Å
104	E	85.8	Confident	92.5	Very high	144 Å²	144	57 Å²	57	67%	0.673	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	25.1	178	-52.1	74.7	-162.3	0	0	112.8	S102 E106	S102-E104 PolarHBondContact O-N 2.84Å; S102-E104 VanDerWaalsContact O-N 3.15Å; E104-E106 PolarHBondContact O-N 2.89Å
105	Q	84.8	Confident	92.4	Very high	31 Å²	31	59.6 Å²	59.6	15%	0.145	31%	0.306	C	S	.	.			trans	-67.7	131.3	-178.8	-178.6	56.7	-108.7	0	0	111.5	W99 S102 P103 Y110 Y111	W99-Q105 HydrophobicContact CZ2-CG 4.2Å; W99-Q105 VanDerWaalsContact CZ2-NE2 3.35Å; S102-Q105 VanDerWaalsContact O-CB 3.26Å; S102-Q105 WeakPolarHBondContact O-CB 3.09Å; S102-Q105 PolarHBondContact O-N 3.1Å; S102-Q105 VanDerWaalsContact O-N 3.08Å; P103-Q105 PolarHBondContact O-N 2.68Å; Q105-Y110 HydrophobicContact CG-CD1 3.64Å; Q105-Y110 HydrophobicContact CG-CE1 4.1Å; Q105-Y110 HydrophobicContact CG-CG 3.99Å; Q105-Y111 WeakPolarHBondContact O-CE2 3.38Å; Q105-Y111 PolarHBondContact O-OH 3.1Å
106	E	83.9	Confident	92.3	Very high	169 Å²	169	59.2 Å²	59.2	79%	0.79	30%	0.304	S	S	*	.			trans	-125.7	1.6	-179.5	-65.5	-174.2	166.3	0	0	113.6	E104 P108	E104-E106 PolarHBondContact O-N 2.89Å; E106-P108 VanDerWaalsContact O-CD 3.25Å; E106-P108 WeakPolarHBondContact O-CD 3.45Å
107	S	89.6	Confident	92.4	Very high	17 Å²	17	58 Å²	58	12%	0.119	29%	0.291	C	S	.	.			trans	-58.8	119.7	-177.7	165.9	0	0	0	0	111.7	L95 E109 Y110 Y111	L95-S107 WeakPolarHBondContact CD2-OG 3.45Å; S107-E109 PolarHBondContact O-N 2.96Å; S107-E109 PolarHBondContact OG-N 3.49Å; S107-E109 PolarHBondContact OG-OE2 2.92Å; S107-Y110 WeakPolarHBondContact O-CB 3.41Å; S107-Y110 PolarHBondContact O-N 2.88Å; S107-Y110 PolarHBondContact OG-N 3.44Å; S107-Y110 VanDerWaalsContact OG-N 3.17Å; S107-Y111 WeakPolarHBondContact O-CD2 3.38Å; S107-Y111 PolarHBondContact O-N 2.91Å
108	P	91.8	Very high	92.4	Very high	93 Å²	93	55.1 Å²	55.1	60%	0.604	28%	0.28	S	S	*	.	H	α-helix	trans	-59.8	-35.9	174.4	-24.8	35.3	0	0	0	112.7	E106 Y111 R112	E106-P108 VanDerWaalsContact O-CD 3.25Å; E106-P108 WeakPolarHBondContact O-CD 3.45Å; P108-Y111 PolarHBondContact O-N 3.17Å; P108-R112 VanDerWaalsContact O-CB 3.3Å; P108-R112 WeakPolarHBondContact O-CB 3.38Å; P108-R112 PolarHBondContact O-N 3.19Å
109	E	93.8	Very high	92.4	Very high	88 Å²	88	50.5 Å²	50.5	41%	0.411	25%	0.247	S	C	.	.	H	α-helix	trans	-65.4	-41.5	178.1	-59	75.1	-163.7	0	0	111.2	L95 S107 R112 L113 W163	L95-E109 HydrophobicContact CD2-CB 3.86Å; S107-E109 PolarHBondContact O-N 2.96Å; S107-E109 PolarHBondContact OG-N 3.49Å; S107-E109 PolarHBondContact OG-OE2 2.92Å; E109-R112 PolarHBondContact O-N 3.36Å; E109-L113 WeakPolarHBondContact O-CB 3.44Å; E109-L113 PolarHBondContact O-N 2.89Å; E109-W163 HydrophobicContact CB-CZ2 4.28Å; E109-W163 HydrophobicContact CG-CZ2 4.5Å; E109-W163 WeakPolarHBondContact O-CH2 3.3Å
110	Y	95.2	Very high	92.2	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-58.9	-51.1	174	168.3	-101.8	0	0	0	111.5	L52 L95 W99 W101 Q105 S107 R112 L113 L114 D453 H457	L52-Y110 HydrophobicContact CD2-CE2 4.05Å; L95-Y110 HydrophobicContact CD1-CD2 4.41Å; W99-Y110 AromaticContact CH2-CD2 3.58Å; W99-Y110 HydrophobicContact CH2-CD2 3.58Å; W99-Y110 AromaticContact CH2-CE2 3.68Å; W99-Y110 HydrophobicContact CH2-CE2 3.68Å; W99-Y110 HydrophobicContact CH2-CG 4.48Å; W99-Y110 AromaticContact CZ2-CD2 3.64Å; W99-Y110 HydrophobicContact CZ2-CD2 3.64Å; W99-Y110 HydrophobicContact CZ2-CE2 4.14Å; W99-Y110 HydrophobicContact CZ2-CG 4.14Å; W101-Y110 AromaticContact CD1-CZ 3.89Å; Q105-Y110 HydrophobicContact CG-CD1 3.64Å; Q105-Y110 HydrophobicContact CG-CE1 4.1Å; Q105-Y110 HydrophobicContact CG-CG 3.99Å; S107-Y110 WeakPolarHBondContact O-CB 3.41Å; S107-Y110 PolarHBondContact O-N 2.88Å; S107-Y110 PolarHBondContact OG-N 3.44Å; S107-Y110 VanDerWaalsContact OG-N 3.17Å; Y110-R112 PolarHBondContact O-N 2.79Å; Y110-L113 WeakPolarHBondContact O-CB 3.4Å; Y110-L113 PolarHBondContact O-N 3.41Å; Y110-L114 HydrophobicContact CE1-CD2 4.45Å; Y110-L114 PolarHBondContact O-N 3.21Å; Y110-D453 HydrophobicContact CE1-CB 4.38Å; Y110-D453 WeakPolarHBondContact OH-CB 3.43Å; Y110-H457 AromaticContact CE2-NE2 3.99Å; Y110-H457 AromaticContact CZ-NE2 3.76Å; Y110-H457 PolarHBondContact OH-NE2 2.98Å
111	Y	93.1	Very high	91.9	Very high	38 Å²	38	54.8 Å²	54.8	15%	0.149	26%	0.263	C	S	.	.	H	α-helix	trans	-67.1	-36.1	-179.6	-77.2	-63.2	0	0	0	112.6	Q105 S107 P108 L114 Q115 L448 D453	Q105-Y111 WeakPolarHBondContact O-CE2 3.38Å; Q105-Y111 PolarHBondContact O-OH 3.1Å; S107-Y111 WeakPolarHBondContact O-CD2 3.38Å; S107-Y111 PolarHBondContact O-N 2.91Å; P108-Y111 PolarHBondContact O-N 3.17Å; Y111-L114 PolarHBondContact O-N 3.17Å; Y111-Q115 WeakPolarHBondContact O-CB 3.32Å; Y111-Q115 VanDerWaalsContact O-CG 3.23Å; Y111-Q115 WeakPolarHBondContact O-CG 3.5Å; Y111-Q115 PolarHBondContact O-N 3.34Å; Y111-L448 HydrophobicContact CD1-CB 4.11Å; Y111-L448 HydrophobicContact CD1-CD1 3.96Å; Y111-L448 HydrophobicContact CE1-CB 4.44Å; Y111-D453 HydrophobicContact CE1-CB 4.48Å; Y111-D453 WeakPolarHBondContact CE1-OD2 3.19Å; Y111-D453 PolarHBondContact OH-OD2 2.94Å
112	R	93.6	Very high	91.6	Very high	124 Å²	124	58.2 Å²	58.2	47%	0.468	29%	0.292	S	S	.	.	H	α-helix	trans	-61.8	-44.5	172.9	-177	176	-179.4	170.2	5.1	111.4	P108 E109 Y110 Q115 M116 W163	P108-R112 VanDerWaalsContact O-CB 3.3Å; P108-R112 WeakPolarHBondContact O-CB 3.38Å; P108-R112 PolarHBondContact O-N 3.19Å; E109-R112 PolarHBondContact O-N 3.36Å; Y110-R112 PolarHBondContact O-N 2.79Å; R112-Q115 WeakPolarHBondContact O-CB 3.46Å; R112-Q115 PolarHBondContact O-N 2.89Å; R112-M116 WeakPolarHBondContact O-CG 3.45Å; R112-M116 PolarHBondContact O-N 3.34Å; R112-W163 HydrophobicContact CB-CH2 3.92Å; R112-W163 HydrophobicContact CB-CZ2 4.44Å; R112-W163 HydrophobicContact CB-CZ3 4.16Å; R112-W163 HydrophobicContact CG-CD2 4.37Å; R112-W163 HydrophobicContact CG-CE3 3.95Å; R112-W163 HydrophobicContact CG-CH2 3.83Å; R112-W163 HydrophobicContact CG-CZ2 4.26Å; R112-W163 HydrophobicContact CG-CZ3 3.66Å; R112-W163 VanDerWaalsContact NE-CD2 3.31Å
113	L	94.7	Very high	91.7	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-59.4	-50.3	174.8	-173.7	165.8	0	0	0	110	L52 A87 M90 L91 E109 Y110 Q115 M116 F117 W163	L52-L113 HydrophobicContact CD1-CD2 3.21Å; A87-L113 HydrophobicContact CB-CD2 4.36Å; M90-L113 HydrophobicContact CB-CD1 3.64Å; M90-L113 HydrophobicContact CB-CG 4.15Å; M90-L113 HydrophobicContact CE-CG 4.28Å; L91-L113 HydrophobicContact CB-CD1 3.9Å; E109-L113 WeakPolarHBondContact O-CB 3.44Å; E109-L113 PolarHBondContact O-N 2.89Å; Y110-L113 WeakPolarHBondContact O-CB 3.4Å; Y110-L113 PolarHBondContact O-N 3.41Å; L113-Q115 VanDerWaalsContact C-N 3.29Å; L113-Q115 PolarHBondContact O-N 3.25Å; L113-M116 WeakPolarHBondContact O-CB 3.26Å; L113-M116 PolarHBondContact O-N 3.26Å; L113-F117 HydrophobicContact CD2-CD2 3.9Å; L113-F117 HydrophobicContact CD2-CE2 3.68Å; L113-F117 HydrophobicContact CG-CE2 4.26Å; L113-F117 VanDerWaalsContact O-CD2 3.24Å; L113-F117 WeakPolarHBondContact O-CD2 3.37Å; L113-W163 HydrophobicContact CB-CH2 4.23Å; L113-W163 HydrophobicContact CB-CZ3 4.23Å
114	L	94.3	Very high	92.1	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-60.6	-36.8	-179.8	-173.1	56.9	0	0	0	112.5	L52 M54 Y110 Y111 M116 F117 Q118 L448 D453 Y456	L52-L114 HydrophobicContact CD2-CD1 4.24Å; M54-L114 HydrophobicContact CE-CD1 4.05Å; Y110-L114 HydrophobicContact CE1-CD2 4.45Å; Y110-L114 PolarHBondContact O-N 3.21Å; Y111-L114 PolarHBondContact O-N 3.17Å; L114-M116 PolarHBondContact O-N 2.89Å; L114-F117 PolarHBondContact O-N 3.41Å; L114-F117 VanDerWaalsContact O-N 3.17Å; L114-Q118 PolarHBondContact O-N 3.41Å; L114-L448 HydrophobicContact CB-CD1 3.72Å; L114-L448 HydrophobicContact CD2-CD1 3.83Å; L114-L448 HydrophobicContact CD2-CD2 3.83Å; L114-L448 HydrophobicContact CD2-CG 4.42Å; L114-L448 HydrophobicContact CG-CD1 3.68Å; L114-L448 HydrophobicContact CG-CD2 3.92Å; L114-L448 HydrophobicContact CG-CG 4.49Å; L114-D453 HydrophobicContact CD2-CB 3.68Å; L114-Y456 HydrophobicContact CD1-CD1 3.68Å; L114-Y456 HydrophobicContact CD1-CD2 3.89Å; L114-Y456 HydrophobicContact CD1-CE1 3.86Å; L114-Y456 HydrophobicContact CD1-CE2 4.08Å; L114-Y456 HydrophobicContact CD1-CG 3.67Å; L114-Y456 HydrophobicContact CD2-CD2 4.27Å
115	Q	93.1	Very high	92.7	Very high	97 Å²	97	48.3 Å²	48.3	45%	0.453	24%	0.238	S	C	.	.	H	α-helix	trans	-58.6	-35.2	174	-76.2	169.5	12.2	0	0	112.5	Y111 R112 L113 F117 Q118 A123 L448	Y111-Q115 WeakPolarHBondContact O-CB 3.32Å; Y111-Q115 VanDerWaalsContact O-CG 3.23Å; Y111-Q115 WeakPolarHBondContact O-CG 3.5Å; Y111-Q115 PolarHBondContact O-N 3.34Å; R112-Q115 WeakPolarHBondContact O-CB 3.46Å; R112-Q115 PolarHBondContact O-N 2.89Å; L113-Q115 VanDerWaalsContact C-N 3.29Å; L113-Q115 PolarHBondContact O-N 3.25Å; Q115-F117 PolarHBondContact O-N 3Å; Q115-Q118 PolarHBondContact O-N 3.16Å; Q115-A123 VanDerWaalsContact O-CB 3.27Å; Q115-A123 WeakPolarHBondContact O-CB 3.41Å; Q115-L448 HydrophobicContact CG-CD1 3.62Å; Q115-L448 HydrophobicContact CG-CG 4.36Å
116	M	95.3	Very high	93.3	Very high	25 Å²	25	46.9 Å²	46.9	12%	0.123	23%	0.231	C	C	.	.	H	α-helix	trans	-68	-18.6	-179.6	-63.8	175.8	74.5	0	0	113.6	M90 R112 L113 L114 L124 Y125 D161 W163	M90-M116 HydrophobicContact CE-CE 3.74Å; M90-M116 HydrophobicContact CE-SD 3.43Å; M90-M116 WeakPolarHBondContact CE-SD 3.43Å; R112-M116 WeakPolarHBondContact O-CG 3.45Å; R112-M116 PolarHBondContact O-N 3.34Å; L113-M116 WeakPolarHBondContact O-CB 3.26Å; L113-M116 PolarHBondContact O-N 3.26Å; L114-M116 PolarHBondContact O-N 2.89Å; M116-L124 HydrophobicContact CE-CD2 4.1Å; M116-Y125 HydrophobicContact CB-CD2 4.06Å; M116-Y125 HydrophobicContact CE-CD2 3.95Å; M116-Y125 HydrophobicContact CE-CE2 3.45Å; M116-Y125 VanDerWaalsContact CE-CE2 3.45Å; M116-Y125 CarbonylContact O-C 3.56Å; M116-Y125 WeakPolarHBondContact O-CA 3.43Å; M116-Y125 WeakPolarHBondContact O-CB 3.34Å; M116-Y125 PolarHBondContact O-N 2.81Å; M116-D161 HydrophobicContact CE-CB 4.5Å; M116-W163 HydrophobicContact SD-CE3 3.52Å; M116-W163 VanDerWaalsContact SD-CE3 3.52Å; M116-W163 HydrophobicContact SD-CZ3 3.69Å
117	F	96.6	Very high	93.9	Very high	1 Å²	1	38.8 Å²	38.8	0%	0.004	19%	0.193	C	C	.	.	H	α-helix	trans	-108.4	-1.3	-179.3	-64.7	-82.9	0	0	0	114.3	M54 Q83 L86 A87 M90 L113 L114 Q115 Y125	M54-F117 HydrophobicContact CE-CB 3.7Å; M54-F117 HydrophobicContact CE-CD2 4.4Å; M54-F117 HydrophobicContact CE-CG 4.05Å; Q83-F117 HydrophobicContact CB-CD1 3.8Å; Q83-F117 HydrophobicContact CB-CE1 4.13Å; Q83-F117 HydrophobicContact CG-CD1 3.97Å; Q83-F117 HydrophobicContact CG-CE1 4.48Å; Q83-F117 WeakPolarHBondContact O-CE1 3.45Å; L86-F117 HydrophobicContact CB-CE1 4.36Å; L86-F117 HydrophobicContact CB-CZ 4.33Å; L86-F117 HydrophobicContact CD2-CE1 4.21Å; L86-F117 HydrophobicContact CD2-CZ 4.22Å; L86-F117 HydrophobicContact CG-CE1 4.35Å; L86-F117 HydrophobicContact CG-CZ 4.05Å; A87-F117 HydrophobicContact CB-CD2 4.29Å; A87-F117 HydrophobicContact CB-CE1 4.22Å; A87-F117 HydrophobicContact CB-CE2 3.77Å; A87-F117 HydrophobicContact CB-CZ 3.72Å; M90-F117 HydrophobicContact CE-CE2 4.36Å; M90-F117 HydrophobicContact SD-CE2 3.82Å; M90-F117 HydrophobicContact SD-CZ 3.66Å; L113-F117 HydrophobicContact CD2-CD2 3.9Å; L113-F117 HydrophobicContact CD2-CE2 3.68Å; L113-F117 HydrophobicContact CG-CE2 4.26Å; L113-F117 VanDerWaalsContact O-CD2 3.24Å; L113-F117 WeakPolarHBondContact O-CD2 3.37Å; L114-F117 PolarHBondContact O-N 3.41Å; L114-F117 VanDerWaalsContact O-N 3.17Å; Q115-F117 PolarHBondContact O-N 3Å; F117-Y125 HydrophobicContact CE1-CD2 4.03Å; F117-Y125 HydrophobicContact CE1-CG 4.02Å; F117-Y125 HydrophobicContact CE2-CD2 4.33Å; F117-Y125 AromaticContact CZ-CD2 3.85Å; F117-Y125 HydrophobicContact CZ-CD2 3.85Å; F117-Y125 HydrophobicContact CZ-CG 4.31Å
118	Q	94.1	Very high	94.2	Very high	13 Å²	13	38 Å²	38	6%	0.061	19%	0.188	C	C	.	.	S	Bend	trans	-57.1	148.8	175.9	-74.6	-170	-36	0	0	111.5	L114 Q115 R120 A123 S126 L448	L114-Q118 PolarHBondContact O-N 3.41Å; Q115-Q118 PolarHBondContact O-N 3.16Å; Q118-R120 HydrophobicContact CB-CG 4.37Å; Q118-R120 PolarHBondContact O-N 3.42Å; Q118-A123 HydrophobicContact CB-CB 4.45Å; Q118-A123 WeakPolarHBondContact O-CB 3.22Å; Q118-S126 WeakPolarHBondContact O-CB 3.24Å; Q118-L448 HydrophobicContact CG-CD2 4.11Å; Q118-L448 VanDerWaalsContact NE2-CG 3.26Å
119	D	95.7	Very high	94.5	Very high	10 Å²	10	34.6 Å²	34.6	5%	0.053	17%	0.165	C	C	.	.	S	Bend	trans	-75	57.5	179	-51.7	-77.6	0	0	0	112.6	R57 F60 R80 I127 Q128 A443	R57-D119 VanDerWaalsContact CG-OD2 3.23Å; R57-D119 WeakPolarHBondContact CG-OD2 3.34Å; F60-D119 HydrophobicContact CB-CB 3.77Å; F60-D119 WeakPolarHBondContact CB-O 3.44Å; F60-D119 HydrophobicContact CD1-CB 3.79Å; F60-D119 HydrophobicContact CG-CB 4.07Å; R80-D119 IonicContact CZ-OD1 2.7Å; R80-D119 IonicContact NH1-OD1 2.98Å; R80-D119 PolarHBondContact NH1-OD1 2.78Å; R80-D119 IonicContact NH2-OD1 3.65Å; R80-D119 PolarHBondContact NH2-OD1 3.33Å; D119-I127 HydrophobicContact CB-CG2 4.21Å; D119-I127 WeakPolarHBondContact OD1-CG2 3.36Å; D119-Q128 VanDerWaalsContact C-NE2 3.31Å; D119-Q128 PolarHBondContact O-NE2 3.32Å; D119-A443 HydrophobicContact CB-CB 4.29Å
120	R	90.8	Very high	94.7	Very high	60 Å²	60	30.4 Å²	30.4	23%	0.226	15%	0.145	C	C	.	.	S	Bend	trans	-129	140.9	-179.4	-64.7	-173.8	172.6	157.2	14	110.4	Q118 S122 A123 S126 G444 G446	Q118-R120 HydrophobicContact CB-CG 4.37Å; Q118-R120 PolarHBondContact O-N 3.42Å; R120-S122 PolarHBondContact O-N 3.07Å; R120-S122 VanDerWaalsContact O-N 3.1Å; R120-A123 HydrophobicContact CB-CB 4.44Å; R120-A123 PolarHBondContact O-N 2.87Å; R120-S126 WeakPolarHBondContact O-CB 3.47Å; R120-S126 PolarHBondContact O-OG 2.78Å; R120-G444 PolarHBondContact NH2-O 3.35Å; R120-G446 PolarHBondContact NH1-O 3.49Å; R120-G446 PolarHBondContact NH2-O 2.96Å
121	R	88.5	Confident	94.8	Very high	94 Å²	94	30.4 Å²	30.4	36%	0.355	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-29.8	174.1	-66.6	-176.3	179.9	-179.4	-2.3	113.3	P62 A123 Q128	P62-R121 PolarHBondContact O-NE 3.48Å; P62-R121 PolarHBondContact O-NH2 2.92Å; R121-A123 VanDerWaalsContact C-N 3.32Å; R121-Q128 HydrophobicContact CG-CB 4.1Å; R121-Q128 HydrophobicContact CG-CG 3.8Å
122	S	89.5	Confident	94.9	Very high	107 Å²	107	30.5 Å²	30.5	75%	0.748	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-17.9	177.8	55.9	0	0	0	0	114.3	R120	R120-S122 PolarHBondContact O-N 3.07Å; R120-S122 VanDerWaalsContact O-N 3.1Å
123	A	93.4	Very high	95	Very high	9 Å²	9	25 Å²	25	7%	0.074	13%	0.128	C	C	.	.	S	Bend	trans	-86.5	129.4	-179.7	0	0	0	0	0	110.7	Q115 Q118 R120 R121 Y125 S126 T129	Q115-A123 VanDerWaalsContact O-CB 3.27Å; Q115-A123 WeakPolarHBondContact O-CB 3.41Å; Q118-A123 HydrophobicContact CB-CB 4.45Å; Q118-A123 WeakPolarHBondContact O-CB 3.22Å; R120-A123 HydrophobicContact CB-CB 4.44Å; R120-A123 PolarHBondContact O-N 2.87Å; R121-A123 VanDerWaalsContact C-N 3.32Å; A123-Y125 VanDerWaalsContact C-N 3.34Å; A123-Y125 PolarHBondContact O-N 2.88Å; A123-S126 VanDerWaalsContact O-CB 3.28Å; A123-S126 WeakPolarHBondContact O-CB 3.46Å; A123-S126 PolarHBondContact O-N 3.22Å; A123-S126 PolarHBondContact O-OG 3.24Å; A123-T129 PolarHBondContact O-OG1 3.47Å
124	L	96.6	Very high	95.1	Very high	39 Å²	39	25 Å²	25	20%	0.204	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-39.1	-170.4	177.9	59.6	0	0	0	113.1	M116 T129 L157 Y160 D161	M116-L124 HydrophobicContact CE-CD2 4.1Å; L124-T129 WeakPolarHBondContact O-CB 3.31Å; L124-T129 WeakPolarHBondContact O-CG2 3.29Å; L124-L157 HydrophobicContact CD1-CD2 4.35Å; L124-Y160 HydrophobicContact CD1-CD2 4.47Å; L124-D161 HydrophobicContact CD2-CB 3.67Å
125	Y	97.8	Very high	95.1	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.9	26.9	-179.2	-53.5	-58.5	0	0	0	111.6	Q83 L86 M90 M116 F117 A123 I130 L157 D161	Q83-Y125 PolarHBondContact NE2-O 2.9Å; L86-Y125 HydrophobicContact CD2-CD1 3.56Å; L86-Y125 HydrophobicContact CD2-CD2 3.92Å; L86-Y125 HydrophobicContact CD2-CE1 3.54Å; L86-Y125 HydrophobicContact CD2-CE2 3.9Å; L86-Y125 HydrophobicContact CD2-CG 3.75Å; M90-Y125 HydrophobicContact CE-CD2 4.47Å; M90-Y125 HydrophobicContact CE-CE2 3.96Å; M90-Y125 HydrophobicContact SD-CD2 4.1Å; M90-Y125 HydrophobicContact SD-CE2 3.65Å; M116-Y125 HydrophobicContact CB-CD2 4.06Å; M116-Y125 HydrophobicContact CE-CD2 3.95Å; M116-Y125 HydrophobicContact CE-CE2 3.45Å; M116-Y125 VanDerWaalsContact CE-CE2 3.45Å; M116-Y125 CarbonylContact O-C 3.56Å; M116-Y125 WeakPolarHBondContact O-CA 3.43Å; M116-Y125 WeakPolarHBondContact O-CB 3.34Å; M116-Y125 PolarHBondContact O-N 2.81Å; F117-Y125 HydrophobicContact CE1-CD2 4.03Å; F117-Y125 HydrophobicContact CE1-CG 4.02Å; F117-Y125 HydrophobicContact CE2-CD2 4.33Å; F117-Y125 AromaticContact CZ-CD2 3.85Å; F117-Y125 HydrophobicContact CZ-CD2 3.85Å; F117-Y125 HydrophobicContact CZ-CG 4.31Å; A123-Y125 VanDerWaalsContact C-N 3.34Å; A123-Y125 PolarHBondContact O-N 2.88Å; Y125-I130 WeakPolarHBondContact O-CD1 3.26Å; Y125-L157 HydrophobicContact CD1-CB 4.06Å; Y125-L157 HydrophobicContact CD1-CD1 4.24Å; Y125-L157 HydrophobicContact CE1-CB 3.81Å; Y125-D161 WeakPolarHBondContact OH-CB 3.4Å; Y125-D161 PolarHBondContact OH-OD2 3.3Å
126	S	97.1	Very high	95.1	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.145	C	C	.	.	S	Bend	trans	-65.9	160.9	173.7	70.8	0	0	0	0	112.2	Q118 R120 A123 Q128 T129 I130	Q118-S126 WeakPolarHBondContact O-CB 3.24Å; R120-S126 WeakPolarHBondContact O-CB 3.47Å; R120-S126 PolarHBondContact O-OG 2.78Å; A123-S126 VanDerWaalsContact O-CB 3.28Å; A123-S126 WeakPolarHBondContact O-CB 3.46Å; A123-S126 PolarHBondContact O-N 3.22Å; A123-S126 PolarHBondContact O-OG 3.24Å; S126-Q128 VanDerWaalsContact CB-OE1 3.31Å; S126-Q128 PolarHBondContact O-N 3.28Å; S126-Q128 PolarHBondContact OG-N 2.94Å; S126-Q128 PolarHBondContact OG-OE1 2.98Å; S126-T129 PolarHBondContact O-N 3.25Å; S126-T129 WeakPolarHBondContact OG-CB 3.18Å; S126-T129 PolarHBondContact OG-N 3Å; S126-T129 PolarHBondContact OG-OG1 3.42Å; S126-I130 WeakPolarHBondContact O-CB 3.4Å; S126-I130 VanDerWaalsContact O-CG1 3.29Å; S126-I130 WeakPolarHBondContact O-CG1 3.41Å; S126-I130 PolarHBondContact O-N 3.07Å
127	I	97.8	Very high	94.9	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-58.5	-37.4	173.2	-171.7	61.4	0	0	0	111.4	F60 I63 D72 W75 H79 D119 T131	F60-I127 HydrophobicContact CD1-CG2 4.27Å; F60-I127 HydrophobicContact CE1-CG2 3.95Å; F60-I127 HydrophobicContact CE2-CG2 4.46Å; F60-I127 HydrophobicContact CZ-CG2 4.03Å; I63-I127 HydrophobicContact CD1-CG1 4.32Å; I63-I127 HydrophobicContact CD1-CG2 4.47Å; D72-I127 HydrophobicContact CB-CD1 4.18Å; D72-I127 HydrophobicContact CB-CG1 3.88Å; W75-I127 HydrophobicContact CH2-CG1 4.42Å; H79-I127 HydrophobicContact CB-CD1 3.41Å; H79-I127 VanDerWaalsContact CB-CD1 3.41Å; D119-I127 HydrophobicContact CB-CG2 4.21Å; D119-I127 WeakPolarHBondContact OD1-CG2 3.36Å; I127-T131 VanDerWaalsContact O-CB 3.29Å; I127-T131 WeakPolarHBondContact O-CB 3.16Å; I127-T131 PolarHBondContact O-N 2.88Å; I127-T131 PolarHBondContact O-OG1 3Å
128	Q	96.2	Very high	94.8	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-58.3	-53.3	176	-64.6	76.2	3	0	0	110.7	I63 D119 R121 S126 T131 L132	I63-Q128 HydrophobicContact CG1-CG 4.02Å; D119-Q128 VanDerWaalsContact C-NE2 3.31Å; D119-Q128 PolarHBondContact O-NE2 3.32Å; R121-Q128 HydrophobicContact CG-CB 4.1Å; R121-Q128 HydrophobicContact CG-CG 3.8Å; S126-Q128 VanDerWaalsContact CB-OE1 3.31Å; S126-Q128 PolarHBondContact O-N 3.28Å; S126-Q128 PolarHBondContact OG-N 2.94Å; S126-Q128 PolarHBondContact OG-OE1 2.98Å; Q128-T131 PolarHBondContact O-N 2.69Å; Q128-L132 WeakPolarHBondContact O-CB 3.02Å; Q128-L132 VanDerWaalsContact O-CG 3.25Å; Q128-L132 WeakPolarHBondContact O-CG 3.48Å; Q128-L132 PolarHBondContact O-N 3.48Å
129	T	96.4	Very high	94.8	Very high	20 Å²	20	34.3 Å²	34.3	12%	0.123	20%	0.202	C	C	.	.	H	α-helix	trans	-69.1	-39.1	-174.3	-55.3	0	0	0	0	111.8	A123 L124 S126 T133 L157	A123-T129 PolarHBondContact O-OG1 3.47Å; L124-T129 WeakPolarHBondContact O-CB 3.31Å; L124-T129 WeakPolarHBondContact O-CG2 3.29Å; S126-T129 PolarHBondContact O-N 3.25Å; S126-T129 WeakPolarHBondContact OG-CB 3.18Å; S126-T129 PolarHBondContact OG-N 3Å; S126-T129 PolarHBondContact OG-OG1 3.42Å; T129-T133 VanDerWaalsContact O-CB 3.3Å; T129-T133 WeakPolarHBondContact O-CB 3.47Å; T129-T133 PolarHBondContact O-N 3.09Å; T129-T133 PolarHBondContact O-OG1 2.86Å; T129-L157 HydrophobicContact CG2-CD1 4.21Å; T129-L157 HydrophobicContact CG2-CD2 3.54Å
130	I	97.9	Very high	94.8	Very high	0 Å²	0	38 Å²	38	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-62.8	-48.5	174	-66.5	171	0	0	0	110.3	H79 Q83 Y125 S126 T133 G134 F145 V153 L154 L157	H79-I130 HydrophobicContact CB-CG2 4.19Å; H79-I130 VanDerWaalsContact CD2-CG2 3.44Å; H79-I130 WeakPolarHBondContact CD2-CG2 3.45Å; Q83-I130 HydrophobicContact CG-CD1 3.46Å; Q83-I130 VanDerWaalsContact CG-CD1 3.46Å; Y125-I130 WeakPolarHBondContact O-CD1 3.26Å; S126-I130 WeakPolarHBondContact O-CB 3.4Å; S126-I130 VanDerWaalsContact O-CG1 3.29Å; S126-I130 WeakPolarHBondContact O-CG1 3.41Å; S126-I130 PolarHBondContact O-N 3.07Å; I130-T133 PolarHBondContact O-N 3.23Å; I130-G134 PolarHBondContact O-N 2.74Å; I130-F145 HydrophobicContact CG2-CE2 4.21Å; I130-V153 HydrophobicContact CB-CG1 4.26Å; I130-V153 HydrophobicContact CG2-CG1 3.79Å; I130-L154 HydrophobicContact CD1-CD2 4.37Å; I130-L157 HydrophobicContact CG1-CD1 3.83Å
131	T	97.6	Very high	95	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.006	23%	0.234	C	C	.	.	H	α-helix	trans	-63.4	-46.3	-179.5	-63	0	0	0	0	111.6	I63 W75 H79 I127 Q128 T133 G134 V135 I141	I63-T131 HydrophobicContact CG2-CG2 3.95Å; W75-T131 HydrophobicContact CH2-CG2 4.16Å; W75-T131 HydrophobicContact CZ3-CG2 4.12Å; W75-T131 WeakPolarHBondContact CZ3-OG1 3.5Å; H79-T131 PolarHBondContact CD2-OG1 3.03Å; H79-T131 PolarHBondContact NE2-OG1 2.92Å; I127-T131 VanDerWaalsContact O-CB 3.29Å; I127-T131 WeakPolarHBondContact O-CB 3.16Å; I127-T131 PolarHBondContact O-N 2.88Å; I127-T131 PolarHBondContact O-OG1 3Å; Q128-T131 PolarHBondContact O-N 2.69Å; T131-T133 VanDerWaalsContact C-N 3.34Å; T131-T133 PolarHBondContact O-N 3.38Å; T131-G134 WeakPolarHBondContact O-CA 3.48Å; T131-G134 PolarHBondContact O-N 3.03Å; T131-G134 VanDerWaalsContact O-N 3.11Å; T131-V135 PolarHBondContact O-N 3.35Å; T131-I141 HydrophobicContact CG2-CB 4.25Å; T131-I141 HydrophobicContact CG2-CG1 4.17Å; T131-I141 HydrophobicContact CG2-CG2 4.04Å
132	L	96	Very high	95.2	Very high	39 Å²	39	35.1 Å²	35.1	20%	0.204	23%	0.231	C	C	.	.	H	α-helix	trans	-65.1	-37	179.1	-69	174.2	0	0	0	112.4	I63 Q128 G134 V135 I141	I63-L132 HydrophobicContact CG2-CD2 4.44Å; I63-L132 HydrophobicContact CG2-CG 4.4Å; Q128-L132 WeakPolarHBondContact O-CB 3.02Å; Q128-L132 VanDerWaalsContact O-CG 3.25Å; Q128-L132 WeakPolarHBondContact O-CG 3.48Å; Q128-L132 PolarHBondContact O-N 3.48Å; L132-G134 VanDerWaalsContact C-N 3.29Å; L132-G134 PolarHBondContact O-N 2.61Å; L132-V135 VanDerWaalsContact O-CB 3.31Å; L132-V135 WeakPolarHBondContact O-CB 3.27Å; L132-V135 PolarHBondContact O-N 3.35Å; L132-V135 VanDerWaalsContact O-N 3.13Å; L132-I141 HydrophobicContact CD2-CD1 4.14Å
133	T	95.8	Very high	95.4	Very high	8 Å²	8	31.6 Å²	31.6	5%	0.049	21%	0.206	C	C	.	.	H	α-helix	trans	-66.5	-34.5	173.6	-57.8	0	0	0	0	111.5	T129 I130 T131 V135 S136 V153 K156 L157	T129-T133 VanDerWaalsContact O-CB 3.3Å; T129-T133 WeakPolarHBondContact O-CB 3.47Å; T129-T133 PolarHBondContact O-N 3.09Å; T129-T133 PolarHBondContact O-OG1 2.86Å; I130-T133 PolarHBondContact O-N 3.23Å; T131-T133 VanDerWaalsContact C-N 3.34Å; T131-T133 PolarHBondContact O-N 3.38Å; T133-V135 PolarHBondContact O-N 3.31Å; T133-S136 WeakPolarHBondContact O-CB 3.44Å; T133-S136 PolarHBondContact O-N 3.4Å; T133-S136 VanDerWaalsContact O-N 3.14Å; T133-S136 PolarHBondContact O-OG 3.24Å; T133-V153 HydrophobicContact CG2-CB 4.43Å; T133-V153 HydrophobicContact CG2-CG1 3.89Å; T133-V153 HydrophobicContact CG2-CG2 4.44Å; T133-K156 HydrophobicContact CG2-CB 3.93Å; T133-K156 HydrophobicContact CG2-CD 4.08Å; T133-L157 HydrophobicContact CG2-CD2 4.31Å; T133-L157 HydrophobicContact CG2-CG 4.26Å; T133-L157 VanDerWaalsContact OG1-CD2 3.29Å; T133-L157 WeakPolarHBondContact OG1-CD2 3.44Å
134	G	96.2	Very high	95.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-62.5	-28.6	172.2	0	0	0	0	0	113.7	I130 T131 L132 S136 L137 G138 K139	I130-G134 PolarHBondContact O-N 2.74Å; T131-G134 WeakPolarHBondContact O-CA 3.48Å; T131-G134 PolarHBondContact O-N 3.03Å; T131-G134 VanDerWaalsContact O-N 3.11Å; L132-G134 VanDerWaalsContact C-N 3.29Å; L132-G134 PolarHBondContact O-N 2.61Å; G134-S136 VanDerWaalsContact C-N 3.29Å; G134-S136 PolarHBondContact O-N 3.16Å; G134-L137 CarbonylContact O-C 3.59Å; G134-L137 WeakPolarHBondContact O-CA 3.46Å; G134-L137 WeakPolarHBondContact O-CB 2.94Å; G134-L137 PolarHBondContact O-N 3.04Å; G134-G138 PolarHBondContact O-N 3.1Å; G134-K139 WeakPolarHBondContact O-CB 3.36Å; G134-K139 PolarHBondContact O-N 3.08Å
135	V	95.1	Very high	95.3	Very high	68 Å²	68	32.3 Å²	32.3	41%	0.412	20%	0.204	S	C	.	.	H	α-helix	trans	-60.5	-40	172.5	-177.6	0	0	0	0	111.4	T131 L132 T133 L137 G138 K139 I141	T131-V135 PolarHBondContact O-N 3.35Å; L132-V135 VanDerWaalsContact O-CB 3.31Å; L132-V135 WeakPolarHBondContact O-CB 3.27Å; L132-V135 PolarHBondContact O-N 3.35Å; L132-V135 VanDerWaalsContact O-N 3.13Å; T133-V135 PolarHBondContact O-N 3.31Å; V135-L137 PolarHBondContact O-N 2.86Å; V135-G138 PolarHBondContact O-N 2.93Å; V135-K139 VanDerWaalsContact CA-O 3.22Å; V135-K139 WeakPolarHBondContact CA-O 3.47Å; V135-I141 HydrophobicContact CG2-CG1 3.82Å
136	S	91.8	Very high	95.2	Very high	58 Å²	58	32.9 Å²	32.9	41%	0.406	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-8.2	173	82.6	0	0	0	0	114.5	T133 G134 K156	T133-S136 WeakPolarHBondContact O-CB 3.44Å; T133-S136 PolarHBondContact O-N 3.4Å; T133-S136 VanDerWaalsContact O-N 3.14Å; T133-S136 PolarHBondContact O-OG 3.24Å; G134-S136 VanDerWaalsContact C-N 3.29Å; G134-S136 PolarHBondContact O-N 3.16Å; S136-K156 PolarHBondContact OG-NZ 3.17Å
137	L	92.6	Very high	95.1	Very high	66 Å²	66	33 Å²	33	35%	0.346	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.2	15.5	175.3	-60.1	179.5	0	0	0	112	G134 V135 Q152 V153 K156	G134-L137 CarbonylContact O-C 3.59Å; G134-L137 WeakPolarHBondContact O-CA 3.46Å; G134-L137 WeakPolarHBondContact O-CB 2.94Å; G134-L137 PolarHBondContact O-N 3.04Å; V135-L137 PolarHBondContact O-N 2.86Å; L137-Q152 HydrophobicContact CD1-CB 3.84Å; L137-V153 HydrophobicContact CD1-CG2 3.61Å; L137-K156 HydrophobicContact CD2-CD 4.27Å
138	G	93.7	Very high	95.1	Very high	71 Å²	71	36.3 Å²	36.3	73%	0.732	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.1	18.7	179.5	0	0	0	0	0	114.5	G134 V135	G134-G138 PolarHBondContact O-N 3.1Å; V135-G138 PolarHBondContact O-N 2.93Å
139	K	95.4	Very high	95.1	Very high	70 Å²	70	37.6 Å²	37.6	30%	0.304	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-92.7	141.3	173	-59.5	-61.8	-174.7	-178.7	0	111.1	G134 V135 F145 T149	G134-K139 WeakPolarHBondContact O-CB 3.36Å; G134-K139 PolarHBondContact O-N 3.08Å; V135-K139 VanDerWaalsContact CA-O 3.22Å; V135-K139 WeakPolarHBondContact CA-O 3.47Å; K139-F145 HydrophobicContact CB-CD1 4.24Å; K139-F145 HydrophobicContact CB-CE1 3.54Å; K139-F145 HydrophobicContact CB-CZ 4.18Å; K139-F145 HydrophobicContact CD-CD1 4.4Å; K139-F145 HydrophobicContact CG-CD1 3.98Å; K139-F145 HydrophobicContact CG-CE1 3.71Å; K139-F145 HydrophobicContact CG-CZ 4.37Å; K139-T149 HydrophobicContact CD-CG2 4.26Å; K139-T149 VanDerWaalsContact CE-CG2 3.5Å; K139-T149 WeakPolarHBondContact CE-OG1 3.47Å; K139-T149 HydrophobicContact CG-CG2 3.83Å
140	S	94.7	Very high	95.2	Very high	87 Å²	87	36.6 Å²	36.6	61%	0.608	23%	0.231	S	C	*	.	P	Polyproline II helix	trans	-81.5	149.9	173.6	-48.9	0	0	0	0	110.9	G142 S143	S140-G142 PolarHBondContact O-N 3.39Å; S140-S143 PolarHBondContact N-OG 3.23Å; S140-S143 VanDerWaalsContact O-CB 3.31Å; S140-S143 WeakPolarHBondContact O-CB 3.41Å; S140-S143 PolarHBondContact O-N 3.25Å; S140-S143 PolarHBondContact O-OG 2.73Å
141	I	94.6	Very high	95.2	Very high	65 Å²	65	36.6 Å²	36.6	33%	0.333	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	132.8	169	-60.6	178	0	0	0	108.5	I63 P69 T131 L132 V135 S143	I63-I141 HydrophobicContact CB-CG2 4.37Å; I63-I141 HydrophobicContact CG2-CG2 4.05Å; P69-I141 HydrophobicContact CG-CG2 3.9Å; T131-I141 HydrophobicContact CG2-CB 4.25Å; T131-I141 HydrophobicContact CG2-CG1 4.17Å; T131-I141 HydrophobicContact CG2-CG2 4.04Å; L132-I141 HydrophobicContact CD2-CD1 4.14Å; V135-I141 HydrophobicContact CG2-CG1 3.82Å; I141-S143 VanDerWaalsContact C-N 3.32Å
142	G	92.7	Very high	95.2	Very high	28 Å²	28	39.8 Å²	39.8	29%	0.289	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.5	-1.6	-176.9	0	0	0	0	0	115	W75 S140	W75-G142 WeakPolarHBondContact CB-O 3.47Å; S140-G142 PolarHBondContact O-N 3.39Å
143	S	93.6	Very high	95.3	Very high	33 Å²	33	37.9 Å²	37.9	23%	0.231	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-84.4	149.2	175.4	69.5	0	0	0	0	112.2	S140 I141	S140-S143 PolarHBondContact N-OG 3.23Å; S140-S143 VanDerWaalsContact O-CB 3.31Å; S140-S143 WeakPolarHBondContact O-CB 3.41Å; S140-S143 PolarHBondContact O-N 3.25Å; S140-S143 PolarHBondContact O-OG 2.73Å; I141-S143 VanDerWaalsContact C-N 3.32Å
144	W	93.4	Very high	95.4	Very high	63 Å²	63	37.5 Å²	37.5	24%	0.239	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-73.2	140.1	173.9	-178.3	88.1	0	0	0	111.4	M78 G146 P418 C419	M78-W144 HydrophobicContact CB-CZ2 4.48Å; M78-W144 HydrophobicContact CE-CZ2 3.89Å; W144-G146 VanDerWaalsContact CH2-CA 3.48Å; W144-G146 VanDerWaalsContact CZ3-CA 3.42Å; W144-P418 HydrophobicContact CD2-CB 4.28Å; W144-P418 HydrophobicContact CE3-CB 4.33Å; W144-P418 HydrophobicContact CE3-CG 4.5Å; W144-P418 HydrophobicContact CH2-CG 4.28Å; W144-P418 HydrophobicContact CZ3-CG 4.22Å; W144-C419 VanDerWaalsContact CD1-N 3.3Å
145	F	95	Very high	95.5	Very high	0 Å²	0	41 Å²	41	0%	0	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-99.6	141.8	175.8	-71.3	7	0	0	0	110.5	M78 H79 I130 K139 T149 V150 V153	M78-F145 HydrophobicContact CB-CB 4.3Å; M78-F145 WeakPolarHBondContact CB-O 3.42Å; M78-F145 HydrophobicContact CG-CB 4.24Å; M78-F145 WeakPolarHBondContact CG-O 3.33Å; H79-F145 AromaticContact CD2-CE2 3.75Å; H79-F145 AromaticContact CE1-CD1 3.58Å; H79-F145 AromaticContact CE1-CD2 3.65Å; H79-F145 AromaticContact CE1-CE1 3.59Å; H79-F145 AromaticContact CE1-CE2 3.69Å; H79-F145 AromaticContact CE1-CG 3.58Å; H79-F145 AromaticContact CE1-CZ 3.65Å; H79-F145 AromaticContact NE2-CD2 3.68Å; H79-F145 AromaticContact NE2-CE1 3.6Å; H79-F145 AromaticContact NE2-CE2 3.25Å; H79-F145 WeakPolarHBondContact NE2-CE2 3.41Å; H79-F145 AromaticContact NE2-CZ 3.19Å; H79-F145 WeakPolarHBondContact NE2-CZ 3.24Å; I130-F145 HydrophobicContact CG2-CE2 4.21Å; K139-F145 HydrophobicContact CB-CD1 4.24Å; K139-F145 HydrophobicContact CB-CE1 3.54Å; K139-F145 HydrophobicContact CB-CZ 4.18Å; K139-F145 HydrophobicContact CD-CD1 4.4Å; K139-F145 HydrophobicContact CG-CD1 3.98Å; K139-F145 HydrophobicContact CG-CE1 3.71Å; K139-F145 HydrophobicContact CG-CZ 4.37Å; F145-T149 HydrophobicContact CB-CG2 4.13Å; F145-T149 HydrophobicContact CD1-CG2 4.19Å; F145-T149 HydrophobicContact CD2-CG2 4.01Å; F145-T149 HydrophobicContact CG-CG2 3.84Å; F145-V150 HydrophobicContact CB-CB 4.49Å; F145-V150 HydrophobicContact CD2-CB 4.27Å; F145-V153 HydrophobicContact CE2-CG2 3.98Å
146	G	95	Very high	95.5	Very high	13 Å²	13	40.5 Å²	40.5	13%	0.134	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-77	164.5	164.8	0	0	0	0	0	112.3	W144 N148 T149 V150	W144-G146 VanDerWaalsContact CH2-CA 3.48Å; W144-G146 VanDerWaalsContact CZ3-CA 3.42Å; G146-N148 VanDerWaalsContact C-N 3.31Å; G146-N148 PolarHBondContact O-N 3.34Å; G146-T149 WeakPolarHBondContact O-CB 3.46Å; G146-T149 PolarHBondContact O-N 3.15Å; G146-V150 PolarHBondContact O-N 3.46Å; G146-V150 VanDerWaalsContact O-N 3.09Å
147	P	96.7	Very high	95.8	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.006	22%	0.222	C	C	.	.	H	α-helix	trans	-51.8	-45.9	177.6	-27.5	34.5	0	0	0	113.3	M78 V150 A151 L414 V474	M78-P147 HydrophobicContact CE-CB 4.39Å; M78-P147 HydrophobicContact CE-CG 3.63Å; M78-P147 HydrophobicContact SD-CG 4.41Å; P147-V150 VanDerWaalsContact O-CG1 3.25Å; P147-V150 WeakPolarHBondContact O-CG1 3.27Å; P147-A151 WeakPolarHBondContact O-CB 3.23Å; P147-A151 PolarHBondContact O-N 2.61Å; P147-A151 VanDerWaalsContact O-N 3.1Å; P147-L414 HydrophobicContact CB-CB 4.24Å; P147-V474 HydrophobicContact CB-CB 4.04Å; P147-V474 HydrophobicContact CB-CG2 3.53Å
148	N	95.9	Very high	95.9	Very high	71 Å²	71	35 Å²	35	38%	0.38	21%	0.207	S	C	.	.	H	α-helix	trans	-66.4	-39.3	177.8	-174.4	36.4	0	0	0	112.2	G146 V150 A151 Q152 P385	G146-N148 VanDerWaalsContact C-N 3.31Å; G146-N148 PolarHBondContact O-N 3.34Å; N148-V150 PolarHBondContact O-N 3.32Å; N148-A151 WeakPolarHBondContact O-CB 3.49Å; N148-A151 PolarHBondContact O-N 2.87Å; N148-Q152 VanDerWaalsContact O-CG 3.28Å; N148-Q152 WeakPolarHBondContact O-CG 3.18Å; N148-Q152 PolarHBondContact O-N 2.75Å; N148-P385 HydrophobicContact CB-CB 4.33Å; N148-P385 HydrophobicContact CB-CG 4.48Å
149	T	96.8	Very high	95.9	Very high	27 Å²	27	33.5 Å²	33.5	17%	0.166	18%	0.184	C	C	.	.	H	α-helix	trans	-60	-48.6	178.4	-56.9	0	0	0	0	111.2	K139 F145 G146 A151 Q152 V153	K139-T149 HydrophobicContact CD-CG2 4.26Å; K139-T149 VanDerWaalsContact CE-CG2 3.5Å; K139-T149 WeakPolarHBondContact CE-OG1 3.47Å; K139-T149 HydrophobicContact CG-CG2 3.83Å; F145-T149 HydrophobicContact CB-CG2 4.13Å; F145-T149 HydrophobicContact CD1-CG2 4.19Å; F145-T149 HydrophobicContact CD2-CG2 4.01Å; F145-T149 HydrophobicContact CG-CG2 3.84Å; G146-T149 WeakPolarHBondContact O-CB 3.46Å; G146-T149 PolarHBondContact O-N 3.15Å; T149-A151 VanDerWaalsContact C-N 3.32Å; T149-A151 PolarHBondContact O-N 2.79Å; T149-Q152 PolarHBondContact O-N 3.35Å; T149-V153 WeakPolarHBondContact O-CG2 3.39Å; T149-V153 PolarHBondContact O-N 3.13Å
150	V	98	Very high	95.8	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-65.5	-38.2	179.3	70.4	0	0	0	0	111	M78 F145 G146 P147 N148 Q152 V153 L154 L414	M78-V150 HydrophobicContact CG-CB 4.14Å; M78-V150 HydrophobicContact CG-CG1 3.69Å; M78-V150 HydrophobicContact SD-CG1 3.96Å; F145-V150 HydrophobicContact CB-CB 4.49Å; F145-V150 HydrophobicContact CD2-CB 4.27Å; G146-V150 PolarHBondContact O-N 3.46Å; G146-V150 VanDerWaalsContact O-N 3.09Å; P147-V150 VanDerWaalsContact O-CG1 3.25Å; P147-V150 WeakPolarHBondContact O-CG1 3.27Å; N148-V150 PolarHBondContact O-N 3.32Å; V150-Q152 VanDerWaalsContact C-N 3.33Å; V150-Q152 PolarHBondContact O-N 2.85Å; V150-V153 WeakPolarHBondContact O-CB 3.4Å; V150-V153 PolarHBondContact O-N 2.95Å; V150-V153 VanDerWaalsContact O-N 3.15Å; V150-L154 HydrophobicContact CG2-CG 4.39Å; V150-L154 WeakPolarHBondContact O-CG 3.2Å; V150-L154 PolarHBondContact O-N 3.11Å; V150-L414 HydrophobicContact CG1-CD1 3.79Å
151	A	98.1	Very high	95.8	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-56.9	-45.2	174.1	0	0	0	0	0	112	P147 N148 T149 V153 L154 K155 I170 F383	P147-A151 WeakPolarHBondContact O-CB 3.23Å; P147-A151 PolarHBondContact O-N 2.61Å; P147-A151 VanDerWaalsContact O-N 3.1Å; N148-A151 WeakPolarHBondContact O-CB 3.49Å; N148-A151 PolarHBondContact O-N 2.87Å; T149-A151 VanDerWaalsContact C-N 3.32Å; T149-A151 PolarHBondContact O-N 2.79Å; A151-V153 PolarHBondContact O-N 3.49Å; A151-L154 PolarHBondContact O-N 3.36Å; A151-K155 WeakPolarHBondContact O-CB 3.37Å; A151-K155 PolarHBondContact O-N 3.29Å; A151-I170 VanDerWaalsContact C-CD1 3.44Å; A151-I170 HydrophobicContact CB-CD1 3.9Å; A151-I170 HydrophobicContact CB-CG1 4.23Å; A151-I170 WeakPolarHBondContact O-CD1 3.24Å; A151-F383 HydrophobicContact CB-CB 4.36Å; A151-F383 HydrophobicContact CB-CD2 3.68Å; A151-F383 HydrophobicContact CB-CE2 4.18Å; A151-F383 HydrophobicContact CB-CG 4.13Å
152	Q	97.7	Very high	95.7	Very high	67 Å²	67	36.7 Å²	36.7	31%	0.313	18%	0.178	S	C	.	.	H	α-helix	trans	-63.2	-39.8	176.5	-64.4	-68.3	-14.7	0	0	112.3	L137 N148 T149 V150 K155 K156 I170	L137-Q152 HydrophobicContact CD1-CB 3.84Å; N148-Q152 VanDerWaalsContact O-CG 3.28Å; N148-Q152 WeakPolarHBondContact O-CG 3.18Å; N148-Q152 PolarHBondContact O-N 2.75Å; T149-Q152 PolarHBondContact O-N 3.35Å; V150-Q152 VanDerWaalsContact C-N 3.33Å; V150-Q152 PolarHBondContact O-N 2.85Å; Q152-K155 PolarHBondContact O-N 2.95Å; Q152-K156 PolarHBondContact O-N 3.24Å; Q152-I170 HydrophobicContact CB-CD1 4.32Å; Q152-I170 HydrophobicContact CG-CD1 3.89Å
153	V	98.2	Very high	95.8	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-61.1	-49.5	174	168.2	0	0	0	0	110.9	I130 T133 L137 F145 T149 V150 A151 K155 K156 L157	I130-V153 HydrophobicContact CB-CG1 4.26Å; I130-V153 HydrophobicContact CG2-CG1 3.79Å; T133-V153 HydrophobicContact CG2-CB 4.43Å; T133-V153 HydrophobicContact CG2-CG1 3.89Å; T133-V153 HydrophobicContact CG2-CG2 4.44Å; L137-V153 HydrophobicContact CD1-CG2 3.61Å; F145-V153 HydrophobicContact CE2-CG2 3.98Å; T149-V153 WeakPolarHBondContact O-CG2 3.39Å; T149-V153 PolarHBondContact O-N 3.13Å; V150-V153 WeakPolarHBondContact O-CB 3.4Å; V150-V153 PolarHBondContact O-N 2.95Å; V150-V153 VanDerWaalsContact O-N 3.15Å; A151-V153 PolarHBondContact O-N 3.49Å; V153-K155 VanDerWaalsContact C-N 3.29Å; V153-K155 PolarHBondContact O-N 3.44Å; V153-K156 PolarHBondContact O-N 3.45Å; V153-L157 HydrophobicContact CG1-CD1 3.92Å; V153-L157 HydrophobicContact CG1-CG 4.38Å; V153-L157 WeakPolarHBondContact O-CG 3.43Å; V153-L157 PolarHBondContact O-N 3.19Å
154	L	98.4	Very high	95.8	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-60.7	-40.8	178.7	-63	179	0	0	0	111.1	G82 L86 I130 V150 A151 K156 L157 S158 I168 F383	G82-L154 WeakPolarHBondContact O-CD1 3.26Å; L86-L154 HydrophobicContact CB-CD1 4.24Å; L86-L154 HydrophobicContact CD2-CD2 3.9Å; I130-L154 HydrophobicContact CD1-CD2 4.37Å; V150-L154 HydrophobicContact CG2-CG 4.39Å; V150-L154 WeakPolarHBondContact O-CG 3.2Å; V150-L154 PolarHBondContact O-N 3.11Å; A151-L154 PolarHBondContact O-N 3.36Å; L154-K156 PolarHBondContact O-N 3.17Å; L154-L157 PolarHBondContact O-N 2.87Å; L154-S158 WeakPolarHBondContact O-CB 3.43Å; L154-S158 PolarHBondContact O-N 3.11Å; L154-I168 HydrophobicContact CB-CD1 3.96Å; L154-F383 HydrophobicContact CD1-CE2 4.23Å; L154-F383 HydrophobicContact CD1-CZ 4.18Å
155	K	97.7	Very high	95.8	Very high	74 Å²	74	36.2 Å²	36.2	32%	0.322	17%	0.166	S	C	.	.	H	α-helix	trans	-56.5	-48.6	174.1	177.4	176.4	-178.8	-176.8	0	111.9	A151 Q152 V153 L157 S158 I168 I170	A151-K155 WeakPolarHBondContact O-CB 3.37Å; A151-K155 PolarHBondContact O-N 3.29Å; Q152-K155 PolarHBondContact O-N 2.95Å; V153-K155 VanDerWaalsContact C-N 3.29Å; V153-K155 PolarHBondContact O-N 3.44Å; K155-L157 VanDerWaalsContact C-N 3.35Å; K155-L157 PolarHBondContact O-N 2.91Å; K155-S158 PolarHBondContact O-N 2.89Å; K155-S158 PolarHBondContact O-OG 2.81Å; K155-I168 HydrophobicContact CB-CB 4.13Å; K155-I168 HydrophobicContact CB-CG2 3.93Å; K155-I168 HydrophobicContact CG-CB 4.42Å; K155-I168 WeakPolarHBondContact CG-O 3.45Å; K155-I170 HydrophobicContact CB-CD1 4.03Å; K155-I170 HydrophobicContact CD-CD1 3.9Å; K155-I170 HydrophobicContact CD-CG1 4.29Å
156	K	96.6	Very high	95.8	Very high	56 Å²	56	36.2 Å²	36.2	24%	0.243	17%	0.166	C	C	.	.	H	α-helix	trans	-59.8	-44	175.3	-75.7	-170.9	170.7	-169	0	111.9	T133 S136 L137 Q152 V153 L154 V159 L530	T133-K156 HydrophobicContact CG2-CB 3.93Å; T133-K156 HydrophobicContact CG2-CD 4.08Å; S136-K156 PolarHBondContact OG-NZ 3.17Å; L137-K156 HydrophobicContact CD2-CD 4.27Å; Q152-K156 PolarHBondContact O-N 3.24Å; V153-K156 PolarHBondContact O-N 3.45Å; L154-K156 PolarHBondContact O-N 3.17Å; K156-V159 PolarHBondContact O-N 3.44Å; K156-L530 HydrophobicContact CD-CD2 4.2Å; K156-L530 HydrophobicContact CG-CD2 4.47Å
157	L	96.5	Very high	95.9	Very high	4 Å²	4	36.9 Å²	36.9	2%	0.021	17%	0.165	C	C	.	.	H	α-helix	trans	-68.5	-35.4	-178.5	-69.2	178.4	0	0	0	113.6	L124 Y125 T129 I130 T133 V153 L154 K155 V159 Y160	L124-L157 HydrophobicContact CD1-CD2 4.35Å; Y125-L157 HydrophobicContact CD1-CB 4.06Å; Y125-L157 HydrophobicContact CD1-CD1 4.24Å; Y125-L157 HydrophobicContact CE1-CB 3.81Å; T129-L157 HydrophobicContact CG2-CD1 4.21Å; T129-L157 HydrophobicContact CG2-CD2 3.54Å; I130-L157 HydrophobicContact CG1-CD1 3.83Å; T133-L157 HydrophobicContact CG2-CD2 4.31Å; T133-L157 HydrophobicContact CG2-CG 4.26Å; T133-L157 VanDerWaalsContact OG1-CD2 3.29Å; T133-L157 WeakPolarHBondContact OG1-CD2 3.44Å; V153-L157 HydrophobicContact CG1-CD1 3.92Å; V153-L157 HydrophobicContact CG1-CG 4.38Å; V153-L157 WeakPolarHBondContact O-CG 3.43Å; V153-L157 PolarHBondContact O-N 3.19Å; L154-L157 PolarHBondContact O-N 2.87Å; K155-L157 VanDerWaalsContact C-N 3.35Å; K155-L157 PolarHBondContact O-N 2.91Å; L157-V159 PolarHBondContact O-N 3.32Å; L157-V159 VanDerWaalsContact O-N 3.09Å; L157-Y160 PolarHBondContact O-N 3.36Å
158	S	95.6	Very high	95.9	Very high	4 Å²	4	36.9 Å²	36.9	3%	0.028	17%	0.165	C	C	.	.	H	α-helix	trans	-58.7	-25.3	-179.6	71.3	0	0	0	0	113.4	L154 K155 Y160 D161	L154-S158 WeakPolarHBondContact O-CB 3.43Å; L154-S158 PolarHBondContact O-N 3.11Å; K155-S158 PolarHBondContact O-N 2.89Å; K155-S158 PolarHBondContact O-OG 2.81Å; S158-Y160 PolarHBondContact O-N 2.9Å; S158-D161 PolarHBondContact O-N 3.34Å; S158-D161 VanDerWaalsContact O-N 3.15Å
159	V	93.7	Very high	96	Very high	40 Å²	40	34.5 Å²	34.5	24%	0.242	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-28.2	176.4	-179.9	0	0	0	0	111.8	K156 L157 R189 F192	K156-V159 PolarHBondContact O-N 3.44Å; L157-V159 PolarHBondContact O-N 3.32Å; L157-V159 VanDerWaalsContact O-N 3.09Å; V159-R189 PolarHBondContact O-NE 3.28Å; V159-R189 PolarHBondContact O-NH2 3.03Å; V159-F192 HydrophobicContact CG1-CE2 4.08Å
160	Y	93.2	Very high	96	Very high	100 Å²	100	33.7 Å²	33.7	39%	0.392	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-16.3	179.5	-56.8	-70	0	0	0	113.5	L124 L157 S158 R162 L530	L124-Y160 HydrophobicContact CD1-CD2 4.47Å; L157-Y160 PolarHBondContact O-N 3.36Å; S158-Y160 PolarHBondContact O-N 2.9Å; Y160-R162 PolarHBondContact O-N 3.4Å; Y160-L530 PolarHBondContact OH-O 3.04Å
161	D	94.2	Very high	95.7	Very high	4 Å²	4	34 Å²	34	2%	0.021	15%	0.149	C	C	.	.			trans	-76.1	93.7	179.2	-174.7	-6.6	0	0	0	111	M116 L124 Y125 S158 W163 T164 N165 R189	M116-D161 HydrophobicContact CE-CB 4.5Å; L124-D161 HydrophobicContact CD2-CB 3.67Å; Y125-D161 WeakPolarHBondContact OH-CB 3.4Å; Y125-D161 PolarHBondContact OH-OD2 3.3Å; S158-D161 PolarHBondContact O-N 3.34Å; S158-D161 VanDerWaalsContact O-N 3.15Å; D161-W163 VanDerWaalsContact C-N 3.3Å; D161-W163 PolarHBondContact OD1-N 2.91Å; D161-T164 PolarHBondContact OD1-N 3.44Å; D161-T164 PolarHBondContact OD1-OG1 3.44Å; D161-T164 WeakPolarHBondContact OD2-CB 3.46Å; D161-T164 PolarHBondContact OD2-OG1 3.06Å; D161-N165 WeakPolarHBondContact O-CA 3.42Å; D161-N165 PolarHBondContact O-N 2.93Å; D161-R189 PolarHBondContact O-NH2 3.01Å
162	R	93.2	Very high	94.9	Very high	186 Å²	186	37.4 Å²	37.4	70%	0.702	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-19.9	176.8	-45.5	-150.5	163.9	163.9	-4.2	113.3	Y160 R189	Y160-R162 PolarHBondContact O-N 3.4Å; R162-R189 VanDerWaalsContact CA-NH1 3.34Å
163	W	94.5	Very high	93.7	Very high	61 Å²	61	44 Å²	44	23%	0.231	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-52	-172.2	174.7	39.7	0	0	0	111.2	M90 H94 E109 R112 L113 M116 D161	M90-W163 HydrophobicContact CE-CZ3 4.31Å; H94-W163 HydrophobicContact CB-CZ2 4.43Å; H94-W163 AromaticContact CD2-CH2 3.7Å; H94-W163 AromaticContact CD2-CZ2 3.87Å; H94-W163 AromaticContact CE1-CD2 3.69Å; H94-W163 AromaticContact CE1-CE2 3.33Å; H94-W163 AromaticContact CE1-CZ2 3.55Å; H94-W163 AromaticContact CE1-NE1 3.56Å; H94-W163 AromaticContact CG-CH2 3.93Å; H94-W163 AromaticContact CG-CZ2 3.73Å; H94-W163 AromaticContact ND1-CE2 3.7Å; H94-W163 AromaticContact ND1-CZ2 3.53Å; H94-W163 AromaticContact ND1-NE1 3.91Å; H94-W163 AromaticContact NE2-CD2 3.78Å; H94-W163 AromaticContact NE2-CE2 3.73Å; H94-W163 AromaticContact NE2-CE3 3.8Å; H94-W163 AromaticContact NE2-CH2 3.8Å; H94-W163 AromaticContact NE2-CZ2 3.76Å; H94-W163 AromaticContact NE2-CZ3 3.81Å; E109-W163 HydrophobicContact CB-CZ2 4.28Å; E109-W163 HydrophobicContact CG-CZ2 4.5Å; E109-W163 WeakPolarHBondContact O-CH2 3.3Å; R112-W163 HydrophobicContact CB-CH2 3.92Å; R112-W163 HydrophobicContact CB-CZ2 4.44Å; R112-W163 HydrophobicContact CB-CZ3 4.16Å; R112-W163 HydrophobicContact CG-CD2 4.37Å; R112-W163 HydrophobicContact CG-CE3 3.95Å; R112-W163 HydrophobicContact CG-CH2 3.83Å; R112-W163 HydrophobicContact CG-CZ2 4.26Å; R112-W163 HydrophobicContact CG-CZ3 3.66Å; R112-W163 VanDerWaalsContact NE-CD2 3.31Å; L113-W163 HydrophobicContact CB-CH2 4.23Å; L113-W163 HydrophobicContact CB-CZ3 4.23Å; M116-W163 HydrophobicContact SD-CE3 3.52Å; M116-W163 VanDerWaalsContact SD-CE3 3.52Å; M116-W163 HydrophobicContact SD-CZ3 3.69Å; D161-W163 VanDerWaalsContact C-N 3.3Å; D161-W163 PolarHBondContact OD1-N 2.91Å
164	T	93.8	Very high	92.3	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.012	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-32.2	176.2	-41.4	0	0	0	0	110.9	M90 F93 H94 D161 L166	M90-T164 WeakPolarHBondContact CE-OG1 3.13Å; M90-T164 HydrophobicContact CG-CG2 4.17Å; F93-T164 HydrophobicContact CD1-CG2 3.72Å; F93-T164 HydrophobicContact CE1-CG2 4.16Å; F93-T164 HydrophobicContact CG-CG2 4.41Å; H94-T164 PolarHBondContact NE2-OG1 2.83Å; H94-T164 VanDerWaalsContact NE2-OG1 3.07Å; D161-T164 PolarHBondContact OD1-N 3.44Å; D161-T164 PolarHBondContact OD1-OG1 3.44Å; D161-T164 WeakPolarHBondContact OD2-CB 3.46Å; D161-T164 PolarHBondContact OD2-OG1 3.06Å; T164-L166 HydrophobicContact CG2-CB 3.9Å; T164-L166 PolarHBondContact O-N 3.32Å; T164-L166 VanDerWaalsContact O-N 3.1Å
165	N	94.3	Very high	91.8	Very high	51 Å²	51	46.7 Å²	46.7	27%	0.273	22%	0.215	S	C	.	.			trans	51.9	29.6	-174.2	-167.3	34.4	0	0	0	113.4	D161 R378	D161-N165 WeakPolarHBondContact O-CA 3.42Å; D161-N165 PolarHBondContact O-N 2.93Å; N165-R378 PolarHBondContact O-NE 2.95Å
166	L	94.1	Very high	91.7	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	20%	0.2	C	C	.	.			trans	-62.8	134.1	-177.2	-168	70.7	0	0	0	110.1	L86 T164 I168 R378 P379 L381 L478	L86-L166 HydrophobicContact CD1-CD2 3.61Å; T164-L166 HydrophobicContact CG2-CB 3.9Å; T164-L166 PolarHBondContact O-N 3.32Å; T164-L166 VanDerWaalsContact O-N 3.1Å; L166-I168 HydrophobicContact CD2-CD1 4.27Å; L166-I168 HydrophobicContact CD2-CG1 4.01Å; L166-I168 HydrophobicContact CG-CG1 4.27Å; L166-R378 PolarHBondContact O-NH2 3.39Å; L166-R378 VanDerWaalsContact O-NH2 3.09Å; L166-P379 HydrophobicContact CD1-CB 4.04Å; L166-P379 WeakPolarHBondContact CD1-O 3.26Å; L166-L381 HydrophobicContact CD1-CB 4.08Å; L166-L381 HydrophobicContact CD2-CB 3.82Å; L166-L381 HydrophobicContact CD2-CD2 3.91Å; L166-L381 HydrophobicContact CG-CB 4.05Å; L166-L478 HydrophobicContact CD1-CD1 4.16Å
167	F	96.4	Very high	91.6	Very high	26 Å²	26	40.7 Å²	40.7	11%	0.114	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	114	167.8	-179	-116	0	0	0	109.3	H169 L184 C185 R378 P379 L380 L381	F167-H169 HydrophobicContact CD1-CB 4.41Å; F167-H169 HydrophobicContact CE1-CB 3.85Å; F167-H169 HydrophobicContact CZ-CB 4.44Å; F167-L184 HydrophobicContact CE1-CB 3.67Å; F167-L184 HydrophobicContact CE2-CB 4.43Å; F167-L184 HydrophobicContact CZ-CB 3.54Å; F167-L184 HydrophobicContact CZ-CD1 4.11Å; F167-L184 HydrophobicContact CZ-CG 4.29Å; F167-C185 WeakPolarHBondContact CD1-SG 3.42Å; F167-R378 HydrophobicContact CB-CB 4.03Å; F167-P379 PolarHBondContact N-O 3.49Å; F167-L380 HydrophobicContact CD1-CD1 3.83Å; F167-L380 HydrophobicContact CE1-CD1 4.34Å; F167-L380 WeakPolarHBondContact O-CA 3.21Å; F167-L381 PolarHBondContact O-N 3.14Å
168	I	97.6	Very high	91.5	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	113.9	174.9	-56.7	-172.7	0	0	0	109.1	L86 L154 K155 L166 L381 F383	L86-I168 HydrophobicContact CD1-CD1 4.14Å; L154-I168 HydrophobicContact CB-CD1 3.96Å; K155-I168 HydrophobicContact CB-CB 4.13Å; K155-I168 HydrophobicContact CB-CG2 3.93Å; K155-I168 HydrophobicContact CG-CB 4.42Å; K155-I168 WeakPolarHBondContact CG-O 3.45Å; L166-I168 HydrophobicContact CD2-CD1 4.27Å; L166-I168 HydrophobicContact CD2-CG1 4.01Å; L166-I168 HydrophobicContact CG-CG1 4.27Å; I168-L381 WeakPolarHBondContact CA-O 3.45Å; I168-L381 HydrophobicContact CD1-CD2 4.17Å; I168-L381 HydrophobicContact CG1-CB 4.23Å; I168-L381 HydrophobicContact CG1-CD2 4.3Å; I168-F383 HydrophobicContact CG2-CD2 3.57Å; I168-F383 HydrophobicContact CG2-CE2 3.63Å
169	H	96.9	Very high	91.4	Very high	21 Å²	21	44.8 Å²	44.8	10%	0.097	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	141.9	171.3	-169.5	86.2	0	0	0	109.7	F167 L380 L381 L382 F383	F167-H169 HydrophobicContact CD1-CB 4.41Å; F167-H169 HydrophobicContact CE1-CB 3.85Å; F167-H169 HydrophobicContact CZ-CB 4.44Å; H169-L380 HydrophobicContact CB-CD1 3.67Å; H169-L381 PolarHBondContact N-O 3.21Å; H169-L382 HydrophobicContact CB-CD1 4.11Å; H169-F383 PolarHBondContact O-N 3.02Å
170	I	96.6	Very high	91.3	Very high	10 Å²	10	44.2 Å²	44.2	5%	0.051	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	116	174.2	-57.4	164.9	0	0	0	105.2	A151 Q152 K155 F383 P385	A151-I170 VanDerWaalsContact C-CD1 3.44Å; A151-I170 HydrophobicContact CB-CD1 3.9Å; A151-I170 HydrophobicContact CB-CG1 4.23Å; A151-I170 WeakPolarHBondContact O-CD1 3.24Å; Q152-I170 HydrophobicContact CB-CD1 4.32Å; Q152-I170 HydrophobicContact CG-CD1 3.89Å; K155-I170 HydrophobicContact CB-CD1 4.03Å; K155-I170 HydrophobicContact CD-CD1 3.9Å; K155-I170 HydrophobicContact CD-CG1 4.29Å; I170-F383 CarbonylContact C-O 3.53Å; I170-F383 WeakPolarHBondContact CA-O 3.41Å; I170-F383 HydrophobicContact CG1-CB 4.1Å; I170-F383 HydrophobicContact CG1-CD2 4.22Å; I170-F383 HydrophobicContact CG2-CB 4.49Å; I170-P385 HydrophobicContact CG2-CG 3.51Å
171	S	93	Very high	91.4	Very high	8 Å²	8	39.4 Å²	39.4	6%	0.056	19%	0.186	C	C	.	.			trans	-60	140.7	178.6	68.6	0	0	0	0	109.6	F383 V384	S171-F383 PolarHBondContact N-O 2.89Å; S171-V384 WeakPolarHBondContact OG-CA 3.23Å
172	V	81.5	Confident	91.4	Very high	71 Å²	71	41.1 Å²	41.1	43%	0.43	19%	0.194	S	C	.	.	B	Isolated β-bridge	trans	-77.6	171.4	171.3	-67.7	0	0	0	0	109.8	D174 G175	V172-D174 HydrophobicContact CG2-CB 4.13Å; V172-D174 PolarHBondContact O-N 2.93Å; V172-G175 PolarHBondContact O-N 3.38Å
173	E	71.4	Confident	91.4	Very high	204 Å²	204	35.5 Å²	35.5	95%	0.953	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-25	179.6	-65.5	-178.4	173.4	0	0	112.7	G175	E173-G175 PolarHBondContact O-N 2.96Å
174	D	68.8	Low	91.3	Very high	55 Å²	55	34.5 Å²	34.5	29%	0.294	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	3.4	179.7	-43.2	-52.8	0	0	0	114.4	V172 H511 L518	V172-D174 HydrophobicContact CG2-CB 4.13Å; V172-D174 PolarHBondContact O-N 2.93Å; D174-H511 PolarHBondContact O-CD2 3.06Å; D174-L518 HydrophobicContact CB-CD1 3.39Å; D174-L518 HydrophobicContact CB-CD2 3.92Å; D174-L518 HydrophobicContact CB-CG 4.3Å; D174-L518 VanDerWaalsContact OD1-CD2 3.22Å; D174-L518 WeakPolarHBondContact OD1-CD2 3.38Å; D174-L518 WeakPolarHBondContact OD2-CD1 3.36Å; D174-L518 WeakPolarHBondContact OD2-CD2 3.21Å
175	G	88.3	Confident	91.3	Very high	3 Å²	3	34.4 Å²	34.4	3%	0.031	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	93.2	-156.8	174.9	0	0	0	0	0	115.2	V172 E173 E509	V172-G175 PolarHBondContact O-N 3.38Å; E173-G175 PolarHBondContact O-N 2.96Å; G175-E509 CarbonylContact C-O 3.54Å; G175-E509 WeakPolarHBondContact CA-O 3.42Å
176	I	94.7	Very high	91.2	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	117.4	-175.6	-59.5	172.9	0	0	0	108.7	I181 L382 V384 F485 L492 V508 E509 I510 H511	I176-I181 HydrophobicContact CG2-CD1 3.65Å; I176-L382 HydrophobicContact CD1-CD2 3.99Å; I176-L382 HydrophobicContact CG1-CD2 4.35Å; I176-L382 HydrophobicContact CG2-CD2 4.45Å; I176-V384 HydrophobicContact CD1-CG2 4.14Å; I176-V384 HydrophobicContact CG1-CG2 4.34Å; I176-F485 HydrophobicContact CG2-CE2 4.5Å; I176-F485 HydrophobicContact CG2-CZ 4.35Å; I176-L492 HydrophobicContact CD1-CD1 3.85Å; I176-V508 HydrophobicContact CD1-CG1 4.36Å; I176-V508 HydrophobicContact CG1-CG2 4.26Å; I176-E509 PolarHBondContact N-O 3.49Å; I176-I510 HydrophobicContact CB-CG1 4.22Å; I176-I510 HydrophobicContact CB-CG2 4.44Å; I176-I510 HydrophobicContact CD1-CD1 4.37Å; I176-I510 HydrophobicContact CD1-CG1 4.25Å; I176-I510 CarbonylContact O-C 3.6Å; I176-I510 WeakPolarHBondContact O-CA 3.49Å; I176-H511 PolarHBondContact O-N 3.2Å
177	I	94.5	Very high	90.6	Very high	3 Å²	3	38.1 Å²	38.1	2%	0.015	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	107.9	177.7	-56.1	169.1	0	0	0	109	E180 I181 H511 R514 L518	I177-E180 HydrophobicContact CB-CB 4.23Å; I177-E180 HydrophobicContact CB-CG 4.19Å; I177-E180 HydrophobicContact CG2-CB 4.03Å; I177-E180 HydrophobicContact CG2-CG 3.59Å; I177-E180 PolarHBondContact O-N 3.11Å; I177-I181 WeakPolarHBondContact O-CG1 3.33Å; I177-I181 PolarHBondContact O-N 2.88Å; I177-I181 VanDerWaalsContact O-N 3.15Å; I177-H511 WeakPolarHBondContact CA-O 3.32Å; I177-H511 HydrophobicContact CG1-CB 4.46Å; I177-R514 HydrophobicContact CD1-CB 4.23Å; I177-R514 HydrophobicContact CD1-CG 4.34Å; I177-R514 VanDerWaalsContact CD1-NH2 3.33Å; I177-R514 HydrophobicContact CG2-CB 4.27Å; I177-L518 HydrophobicContact CD1-CD1 4.29Å
178	I	95.4	Very high	89.3	Confident	18 Å²	18	43.6 Å²	43.6	9%	0.092	23%	0.227	C	C	.	.	H	α-helix	trans	-61.8	-54.1	-168.2	-64.5	176.2	0	0	0	111.4	E180 I181 K182 F485 C489 I510 H511 T512	I178-E180 PolarHBondContact O-N 3.31Å; I178-I181 PolarHBondContact O-N 2.94Å; I178-K182 HydrophobicContact CG2-CD 4.06Å; I178-K182 HydrophobicContact CG2-CG 4.32Å; I178-K182 WeakPolarHBondContact O-CG 3.33Å; I178-K182 PolarHBondContact O-N 3.46Å; I178-F485 HydrophobicContact CB-CE1 4.48Å; I178-F485 HydrophobicContact CG2-CE1 3.99Å; I178-C489 HydrophobicContact CD1-CB 4.16Å; I178-I510 HydrophobicContact CD1-CG2 3.87Å; I178-I510 HydrophobicContact CG1-CG2 4.03Å; I178-H511 PolarHBondContact N-O 3.15Å; I178-T512 PolarHBondContact N-O 3.42Å
179	D	93.6	Very high	87.9	Confident	75 Å²	75	46.5 Å²	46.5	40%	0.401	24%	0.238	S	C	.	.	H	α-helix	trans	-63.8	-32.3	-174	-70.6	-9.3	0	0	0	112.4	S183 T512 T513	D179-S183 VanDerWaalsContact O-CB 3.23Å; D179-S183 WeakPolarHBondContact O-CB 3.46Å; D179-S183 PolarHBondContact O-N 2.86Å; D179-T512 WeakPolarHBondContact CB-O 3.39Å; D179-T512 PolarHBondContact N-O 3.32Å; D179-T513 WeakPolarHBondContact OD2-CG2 3.22Å
180	E	92	Very high	86.1	Confident	28 Å²	28	48.2 Å²	48.2	13%	0.131	25%	0.251	C	S	.	.	H	α-helix	trans	-69.1	-47.5	175.9	-68.1	-172.5	168.3	0	0	112	I177 I178 K182 S183 L184 R514 L521	I177-E180 HydrophobicContact CB-CB 4.23Å; I177-E180 HydrophobicContact CB-CG 4.19Å; I177-E180 HydrophobicContact CG2-CB 4.03Å; I177-E180 HydrophobicContact CG2-CG 3.59Å; I177-E180 PolarHBondContact O-N 3.11Å; I178-E180 PolarHBondContact O-N 3.31Å; E180-K182 VanDerWaalsContact C-N 3.3Å; E180-K182 PolarHBondContact O-N 3.19Å; E180-S183 PolarHBondContact O-N 3.15Å; E180-L184 WeakPolarHBondContact O-CB 3.26Å; E180-L184 WeakPolarHBondContact O-CD1 3.45Å; E180-L184 WeakPolarHBondContact O-CG 3.29Å; E180-L184 PolarHBondContact O-N 3.23Å; E180-R514 VanDerWaalsContact CD-NH2 3.28Å; E180-R514 WeakPolarHBondContact OE1-CB 3.42Å; E180-R514 IonicContact OE1-CZ 2.84Å; E180-R514 IonicContact OE1-NE 3.47Å; E180-R514 PolarHBondContact OE1-NE 2.89Å; E180-R514 IonicContact OE1-NH2 3.88Å; E180-R514 PolarHBondContact OE1-NH2 3.39Å; E180-R514 IonicContact OE2-CZ 3.77Å; E180-R514 IonicContact OE2-NE 3.28Å; E180-R514 IonicContact OE2-NH2 2.61Å; E180-R514 PolarHBondContact OE2-NH2 3.21Å; E180-L521 HydrophobicContact CG-CD1 4.15Å
181	I	94.5	Very high	83.7	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-62.2	-43.9	178.2	-68.6	168.3	0	0	0	109.4	I176 I177 I178 L184 C185 L380 L382 F485	I176-I181 HydrophobicContact CG2-CD1 3.65Å; I177-I181 WeakPolarHBondContact O-CG1 3.33Å; I177-I181 PolarHBondContact O-N 2.88Å; I177-I181 VanDerWaalsContact O-N 3.15Å; I178-I181 PolarHBondContact O-N 2.94Å; I181-L184 PolarHBondContact O-N 3.06Å; I181-C185 WeakPolarHBondContact O-CB 3.32Å; I181-C185 PolarHBondContact O-N 2.97Å; I181-C185 PolarHBondContact O-SG 2.99Å; I181-L380 HydrophobicContact CG2-CD1 4.23Å; I181-L380 HydrophobicContact CG2-CD2 3.5Å; I181-L380 VanDerWaalsContact CG2-CD2 3.5Å; I181-L382 HydrophobicContact CD1-CD1 4.13Å; I181-F485 HydrophobicContact CB-CE1 4.07Å; I181-F485 HydrophobicContact CB-CE2 4.44Å; I181-F485 HydrophobicContact CB-CZ 3.74Å; I181-F485 HydrophobicContact CD1-CE2 4.13Å; I181-F485 HydrophobicContact CD1-CZ 3.81Å; I181-F485 HydrophobicContact CG1-CZ 4.39Å; I181-F485 HydrophobicContact CG2-CD1 4.43Å; I181-F485 HydrophobicContact CG2-CD2 4.38Å; I181-F485 HydrophobicContact CG2-CE1 3.86Å; I181-F485 HydrophobicContact CG2-CE2 3.83Å; I181-F485 HydrophobicContact CG2-CZ 3.54Å
182	K	95.3	Very high	81.3	Confident	40 Å²	40	59.4 Å²	59.4	17%	0.174	30%	0.301	C	S	.	.	H	α-helix	trans	-59.1	-49.5	175.6	-72.4	-170	171.1	-147.1	0	112.1	I178 E180 L184 C185 C186 W377 E482 F485 D486	I178-K182 HydrophobicContact CG2-CD 4.06Å; I178-K182 HydrophobicContact CG2-CG 4.32Å; I178-K182 WeakPolarHBondContact O-CG 3.33Å; I178-K182 PolarHBondContact O-N 3.46Å; E180-K182 VanDerWaalsContact C-N 3.3Å; E180-K182 PolarHBondContact O-N 3.19Å; K182-L184 VanDerWaalsContact C-N 3.33Å; K182-L184 PolarHBondContact O-N 2.84Å; K182-C185 PolarHBondContact O-N 2.81Å; K182-C186 WeakPolarHBondContact O-CB 3.48Å; K182-C186 PolarHBondContact O-N 3.09Å; K182-C186 PolarHBondContact O-SG 2.73Å; K182-C186 VanDerWaalsContact O-SG 3.37Å; K182-W377 HydrophobicContact CB-CZ3 4.47Å; K182-W377 HydrophobicContact CG-CZ3 4.21Å; K182-E482 HydrophobicContact CD-CG 4.47Å; K182-E482 WeakPolarHBondContact CD-OE1 3.39Å; K182-E482 WeakPolarHBondContact CE-OE1 3.38Å; K182-E482 IonicContact NZ-OE1 2.86Å; K182-E482 PolarHBondContact NZ-OE1 3.46Å; K182-F485 HydrophobicContact CG-CD1 4.04Å; K182-F485 HydrophobicContact CG-CE1 3.97Å; K182-D486 WeakPolarHBondContact CE-OD1 3.44Å; K182-D486 VanDerWaalsContact NZ-CG 3.27Å; K182-D486 IonicContact NZ-OD1 3.41Å; K182-D486 PolarHBondContact NZ-OD1 2.91Å; K182-D486 IonicContact NZ-OD2 2.61Å; K182-D486 PolarHBondContact NZ-OD2 2.83Å
183	S	92.9	Very high	78.9	Confident	67 Å²	67	62.2 Å²	62.2	47%	0.469	31%	0.313	S	S	.	.	H	α-helix	trans	-56.7	-46.8	177	179.5	0	0	0	0	111.7	D179 E180 C186 Q187	D179-S183 VanDerWaalsContact O-CB 3.23Å; D179-S183 WeakPolarHBondContact O-CB 3.46Å; D179-S183 PolarHBondContact O-N 2.86Å; E180-S183 PolarHBondContact O-N 3.15Å; S183-C186 PolarHBondContact O-N 3.49Å; S183-Q187 WeakPolarHBondContact O-CG 3.31Å; S183-Q187 PolarHBondContact O-N 3.44Å; S183-Q187 VanDerWaalsContact O-N 3.14Å
184	L	92.3	Very high	77	Confident	40 Å²	40	60.5 Å²	60.5	21%	0.209	30%	0.303	C	S	.	.	H	α-helix	trans	-68.5	-34.8	-178.8	-69	165.8	0	0	0	113.3	F167 E180 I181 K182 C186 Q187	F167-L184 HydrophobicContact CE1-CB 3.67Å; F167-L184 HydrophobicContact CE2-CB 4.43Å; F167-L184 HydrophobicContact CZ-CB 3.54Å; F167-L184 HydrophobicContact CZ-CD1 4.11Å; F167-L184 HydrophobicContact CZ-CG 4.29Å; E180-L184 WeakPolarHBondContact O-CB 3.26Å; E180-L184 WeakPolarHBondContact O-CD1 3.45Å; E180-L184 WeakPolarHBondContact O-CG 3.29Å; E180-L184 PolarHBondContact O-N 3.23Å; I181-L184 PolarHBondContact O-N 3.06Å; K182-L184 VanDerWaalsContact C-N 3.33Å; K182-L184 PolarHBondContact O-N 2.84Å; L184-C186 VanDerWaalsContact C-N 3.34Å; L184-Q187 PolarHBondContact O-N 3.47Å
185	C	93.4	Very high	75.1	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-72.2	-30.2	176.3	-64.4	0	0	0	0	112.3	F167 I181 K182 W377 R378	F167-C185 WeakPolarHBondContact CD1-SG 3.42Å; I181-C185 WeakPolarHBondContact O-CB 3.32Å; I181-C185 PolarHBondContact O-N 2.97Å; I181-C185 PolarHBondContact O-SG 2.99Å; K182-C185 PolarHBondContact O-N 2.81Å; C185-W377 HydrophobicContact CB-CD2 3.71Å; C185-W377 HydrophobicContact CB-CE3 3.45Å; C185-W377 VanDerWaalsContact CB-CE3 3.45Å; C185-W377 HydrophobicContact CB-CH2 3.63Å; C185-W377 HydrophobicContact CB-CZ2 3.86Å; C185-W377 HydrophobicContact CB-CZ3 3.43Å; C185-W377 VanDerWaalsContact CB-CZ3 3.43Å; C185-W377 VanDerWaalsContact SG-CH2 3.59Å; C185-R378 PolarHBondContact O-N 3.24Å
186	C	91.3	Very high	72.3	Confident	46 Å²	46	68.7 Å²	68.7	31%	0.311	35%	0.35	S	S	.	.	H	α-helix	trans	-85.3	-7.2	177.5	-68.9	0	0	0	0	113.9	K182 S183 L184 N376	K182-C186 WeakPolarHBondContact O-CB 3.48Å; K182-C186 PolarHBondContact O-N 3.09Å; K182-C186 PolarHBondContact O-SG 2.73Å; K182-C186 VanDerWaalsContact O-SG 3.37Å; S183-C186 PolarHBondContact O-N 3.49Å; L184-C186 VanDerWaalsContact C-N 3.34Å; C186-N376 PolarHBondContact O-ND2 3.17Å
187	Q	82.9	Confident	69.1	Low	84 Å²	84	76 Å²	76	39%	0.393	39%	0.389	S	S	.	.	S	Bend	trans	-70.2	135.9	173.9	-79.7	166.8	26.5	0	0	110.6	S183 L184	S183-Q187 WeakPolarHBondContact O-CG 3.31Å; S183-Q187 PolarHBondContact O-N 3.44Å; S183-Q187 VanDerWaalsContact O-N 3.14Å; L184-Q187 PolarHBondContact O-N 3.47Å
188	H	69.2	Low	66	Low	141 Å²	141	80 Å²	80	65%	0.653	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-59.1	144.3	169	-70.6	81.2	0	0	0	109.3	N376	H188-N376 PolarHBondContact CE1-ND2 3.05Å; H188-N376 VanDerWaalsContact CE1-ND2 3.27Å; H188-N376 PolarHBondContact ND1-ND2 3.31Å
189	R	66.5	Low	62.8	Low	61 Å²	61	86.9 Å²	86.9	23%	0.23	46%	0.455	C	S	.	.	P	Polyproline II helix	trans	-53.2	139.6	176.3	-169.8	-176.2	-169.7	171.9	12.1	109.3	V159 D161 R162 H191	V159-R189 PolarHBondContact O-NE 3.28Å; V159-R189 PolarHBondContact O-NH2 3.03Å; D161-R189 PolarHBondContact O-NH2 3.01Å; R162-R189 VanDerWaalsContact CA-NH1 3.34Å; R189-H191 PolarHBondContact O-N 3Å
190	P	60.1	Low	59.8	Low	57 Å²	57	92 Å²	92	37%	0.37	48%	0.476	S	S	.	.			trans	-53.4	115.8	169.8	-21.8	30.5	0	0	0	109.6	F192 I526	P190-F192 HydrophobicContact CB-CE2 4.42Å; P190-F192 PolarHBondContact O-N 3.19Å; P190-I526 HydrophobicContact CB-CD1 3.58Å; P190-I526 HydrophobicContact CG-CD1 3.55Å
191	H	46	Very low	56.9	Low	159 Å²	159	98.2 Å²	98.2	74%	0.736	51%	0.51	S	S	*	.			trans	-73.5	107.7	172.6	-78.1	-79	0	0	0	108.2	R189 N193	R189-H191 PolarHBondContact O-N 3Å; H191-N193 PolarHBondContact O-N 3.49Å
192	F	43.2	Very low	53.9	Low	95 Å²	95	106 Å²	106	42%	0.417	55%	0.552	S	S	.	*			trans	-81	93.8	163	-73.5	-81.7	0	0	0	107.8	V159 P190 F194 I526	V159-F192 HydrophobicContact CG1-CE2 4.08Å; P190-F192 HydrophobicContact CB-CE2 4.42Å; P190-F192 PolarHBondContact O-N 3.19Å; F192-F194 PolarHBondContact O-N 3.2Å; F192-I526 HydrophobicContact CZ-CD1 4.41Å; F192-I526 HydrophobicContact CZ-CG2 4.42Å
193	N	29.7	Very low	50.9	Low	129 Å²	129	111.5 Å²	111.5	69%	0.69	58%	0.583	S	S	*	*			trans	-77.1	111.8	169.5	-80.5	-6.4	0	0	0	108.6	H191 T195	H191-N193 PolarHBondContact O-N 3.49Å; N193-T195 VanDerWaalsContact C-N 3.34Å; N193-T195 HydrophobicContact CB-CG2 4.24Å; N193-T195 PolarHBondContact O-N 3.27Å
194	F	31.8	Very low	48.2	Very low	169 Å²	169	117.8 Å²	117.8	74%	0.741	61%	0.605	S	S	*	*			trans	-77.4	90.6	158.2	-70.4	-83.1	0	0	0	106.9	F192 N196	F192-F194 PolarHBondContact O-N 3.2Å; F194-N196 PolarHBondContact O-N 2.67Å
195	T	29.9	Very low	45.3	Very low	109 Å²	109	120.8 Å²	120.8	67%	0.669	63%	0.629	S	S	*	*			trans	-78	106.2	174.1	44.6	0	0	0	0	109.6	N193 N197	N193-T195 VanDerWaalsContact C-N 3.34Å; N193-T195 HydrophobicContact CB-CG2 4.24Å; N193-T195 PolarHBondContact O-N 3.27Å; T195-N197 PolarHBondContact O-N 3.09Å
196	N	28.2	Very low	42.5	Very low	120 Å²	120	130 Å²	130	64%	0.642	67%	0.673	S	S	*	*			trans	-73	103.8	166.2	-79.9	-8.1	0	0	0	109.2	F194 S198	F194-N196 PolarHBondContact O-N 2.67Å; N196-S198 PolarHBondContact O-N 3.17Å
197	N	27.6	Very low	39.5	Very low	154 Å²	154	133 Å²	133	82%	0.824	69%	0.694	S	S	*	*			trans	-85.3	88.6	165.8	-91.9	-5.7	0	0	0	108.9	T195	T195-N197 PolarHBondContact O-N 3.09Å
198	S	29.5	Very low	37.2	Very low	89 Å²	89	137.3 Å²	137.3	62%	0.622	72%	0.718	S	S	*	*			trans	-146.2	74.5	166.7	58.8	0	0	0	0	109.3	N196	N196-S198 PolarHBondContact O-N 3.17Å
199	N	28.3	Very low	35.5	Very low	162 Å²	162	140.3 Å²	140.3	87%	0.866	73%	0.729	S	S	*	*			trans	-148.5	84.2	162.7	-92.6	-23.5	0	0	0	106.4
200	E	30.9	Very low	33.8	Very low	182 Å²	182	143.7 Å²	143.7	85%	0.85	76%	0.759	S	S	*	*	S	Bend	trans	178.6	121.9	152.3	-101.1	166.6	-163.7	0	0	107.1
201	N	31.3	Very low	32.6	Very low	158 Å²	158	146.8 Å²	146.8	85%	0.845	78%	0.782	S	S	*	*			trans	101.4	63.8	173.8	-48	-39.6	0	0	0	117.4
202	D	31.2	Very low	32	Very low	163 Å²	163	143.8 Å²	143.8	87%	0.872	79%	0.785	S	S	*	*			trans	-121	102	148.8	-95.8	-28.5	0	0	0	109.2
203	N	33.1	Very low	31.8	Very low	156 Å²	156	147.5 Å²	147.5	83%	0.834	81%	0.809	S	S	*	*			trans	-164.2	84.2	163.7	-95	-31	0	0	0	108.2
204	Q	36.7	Very low	32	Very low	200 Å²	200	150 Å²	150	94%	0.935	82%	0.816	S	S	*	*			trans	-176.9	126.3	134.9	-99.1	161.7	49.5	0	0	111.9
205	S	31.3	Very low	32.5	Very low	103 Å²	103	147 Å²	147	72%	0.72	82%	0.816	S	S	*	*			trans	-65.9	151	179.7	49.3	0	0	0	0	115.3
206	E	33.1	Very low	33	Very low	194 Å²	194	150.6 Å²	150.6	91%	0.907	82%	0.823	S	S	*	*				-179.6	150.4	110.7	-99.8	179.7	175.8	0	0	113.2
207	S	28.8	Very low	33.5	Very low	109 Å²	109	150.9 Å²	150.9	76%	0.762	82%	0.824	S	S	*	*			trans	-112.2	138.7	-159.6	48	0	0	0	0	113.8
208	I	34.3	Very low	34.1	Very low	174 Å²	174	151.2 Å²	151.2	89%	0.892	83%	0.826	S	S	*	*			trans	-140	127.9	161.1	-57.9	-178.6	0	0	0	110
209	K	33.1	Very low	34.4	Very low	203 Å²	203	152.6 Å²	152.6	88%	0.883	83%	0.833	S	S	*	*			trans	-88.5	152.1	179.4	-80.2	179	173.2	179.6	0	112.6
210	P	32.5	Very low	34.8	Very low	133 Å²	133	149.5 Å²	149.5	86%	0.864	83%	0.83	S	S	*	*			trans	-101	157.8	175.1	37.3	-29.6	0	0	0	113.8
211	S	33.5	Very low	35.2	Very low	122 Å²	122	150.3 Å²	150.3	85%	0.853	83%	0.834	S	S	*	*			trans	-115.4	135.1	170.7	54.4	0	0	0	0	110.9
212	A	34.1	Very low	35.4	Very low	96 Å²	96	152.3 Å²	152.3	79%	0.793	84%	0.838	S	S	*	*			trans	-86.1	154.1	178.3	0	0	0	0	0	112.4
213	D	38.5	Very low	35.7	Very low	172 Å²	172	150.2 Å²	150.2	92%	0.92	84%	0.836	S	S	*	*			trans	-148.1	135.2	153	-123.2	-15	0	0	0	110.3
214	E	35.6	Very low	35.6	Very low	182 Å²	182	151 Å²	151	85%	0.85	84%	0.84	S	S	*	*			trans	-93.2	152.3	-173.6	-61.9	174.5	142.8	0	0	111.8
215	S	41.4	Very low	35.5	Very low	105 Å²	105	146.2 Å²	146.2	73%	0.734	83%	0.828	S	S	*	*				174.6	124.2	129.5	59.6	0	0	0	0	114.1
216	K	39.6	Very low	35.3	Very low	186 Å²	186	147.4 Å²	147.4	81%	0.809	84%	0.837	S	S	*	*				46.6	153.1	124.4	-62.2	-173.8	172	-179	0	120.5
217	D	38.8	Very low	35.1	Very low	125 Å²	125	143.6 Å²	143.6	67%	0.668	83%	0.827	S	S	*	*			cis	-175.3	147.4	-11.2	-95.3	-35.9	0	0	0	103.2
218	D	40.1	Very low	35.1	Very low	162 Å²	162	143.3 Å²	143.3	87%	0.866	83%	0.825	S	S	*	*			trans	147.7	141.7	137.7	-78.8	-26.7	0	0	0	115.2
219	P	37.2	Very low	34.8	Very low	118 Å²	118	140.2 Å²	140.2	77%	0.766	82%	0.819	S	S	*	*			trans	-119.6	175.3	-164.7	39.3	-22.5	0	0	0	116.1
220	A	36.2	Very low	34.5	Very low	97 Å²	97	141 Å²	141	80%	0.802	82%	0.818	S	S	*	*			trans	80.3	112.6	154.6	0	0	0	0	0	120
221	E	38	Very low	34.2	Very low	199 Å²	199	139.8 Å²	139.8	93%	0.93	81%	0.812	S	S	*	*			trans	-158.3	124	131.3	-109.6	179.1	-168	0	0	110
222	E	35.6	Very low	33.8	Very low	200 Å²	200	139.9 Å²	139.9	94%	0.935	81%	0.811	S	S	*	*			trans	-74.3	133.7	177.4	-72.8	173.7	145.8	0	0	111.2
223	S	38.2	Very low	33.6	Very low	118 Å²	118	140.5 Å²	140.5	83%	0.825	81%	0.807	S	S	*	*			trans	-151.4	129.5	149.4	55.9	0	0	0	0	111.3	S225	S223-S225 PolarHBondContact O-N 2.58Å
224	D	30.6	Very low	33	Very low	174 Å²	174	142 Å²	142	93%	0.93	81%	0.806	S	S	*	*			trans	-63	117.3	-175.8	-68.1	-50.4	0	0	0	112.8
225	S	34.3	Very low	32.6	Very low	98 Å²	98	137.2 Å²	137.2	69%	0.685	80%	0.797	S	S	*	*			trans	-147.5	116.3	147.9	63	0	0	0	0	109.2	S223 T227	S223-S225 PolarHBondContact O-N 2.58Å; S225-T227 PolarHBondContact O-N 3.02Å
226	S	27.2	Very low	32	Very low	128 Å²	128	141 Å²	141	90%	0.895	80%	0.804	S	S	*	*			trans	-72	90.2	-178.5	54.9	0	0	0	0	110.5
227	T	30.4	Very low	31.3	Very low	114 Å²	114	137.2 Å²	137.2	70%	0.699	80%	0.8	S	S	*	*			trans	-117.9	96.8	163.2	29.6	0	0	0	0	107.7	S225 S229	S225-T227 PolarHBondContact O-N 3.02Å; T227-S229 VanDerWaalsContact C-N 3.31Å; T227-S229 PolarHBondContact O-N 3.07Å
228	S	27.9	Very low	30.7	Very low	104 Å²	104	137.2 Å²	137.2	73%	0.727	81%	0.805	S	S	*	*			trans	-72.8	89.1	172.6	65.8	0	0	0	0	109.6	Y230	S228-Y230 PolarHBondContact O-N 3.22Å
229	S	28	Very low	30.1	Very low	108 Å²	108	135 Å²	135	76%	0.755	80%	0.798	S	S	*	*			trans	-75.3	93.5	158.9	42.3	0	0	0	0	108.5	T227 S231	T227-S229 VanDerWaalsContact C-N 3.31Å; T227-S229 PolarHBondContact O-N 3.07Å; S229-S231 PolarHBondContact O-N 2.93Å
230	Y	27.9	Very low	29.6	Very low	221 Å²	221	136.4 Å²	136.4	87%	0.867	80%	0.799	S	S	*	*			trans	-86.6	94.8	161.9	-84.5	-82.8	0	0	0	108.4	S228	S228-Y230 PolarHBondContact O-N 3.22Å
231	S	25.7	Very low	29.3	Very low	106 Å²	106	137 Å²	137	74%	0.741	79%	0.792	S	S	*	*			trans	-97	148.1	157.2	-77.1	0	0	0	0	109.4	S229	S229-S231 PolarHBondContact O-N 2.93Å
232	C	25.6	Very low	28.8	Very low	124 Å²	124	133.9 Å²	133.9	84%	0.838	78%	0.781	S	S	*	*			trans	82.4	156.7	161.9	-85.7	0	0	0	0	119.2
233	P	29.1	Very low	28.5	Very low	109 Å²	109	132.2 Å²	132.2	71%	0.708	77%	0.774	S	S	*	*			cis	-144.5	152.6	-18.9	30.1	-9.2	0	0	0	115.3
234	F	25.1	Very low	28.1	Very low	204 Å²	204	131.7 Å²	131.7	90%	0.895	77%	0.77	S	S	*	*	S	Bend	trans	-136.8	79.4	147.7	-166.5	-93.7	0	0	0	108.9
235	A	27	Very low	28	Very low	81 Å²	81	129.2 Å²	129.2	67%	0.669	77%	0.765	S	S	*	*			trans	-166	138.8	155.4	0	0	0	0	0	108.8
236	Q	29.3	Very low	27.7	Very low	185 Å²	185	131 Å²	131	86%	0.864	77%	0.767	S	S	*	*			trans	93.2	69.7	170	-60	174.9	-14.2	0	0	118.4
237	S	26.1	Very low	27.7	Very low	106 Å²	106	135.9 Å²	135.9	74%	0.741	77%	0.766	S	S	*	*				30	126.4	116.7	75.3	0	0	0	0	122.2
238	V	24.6	Very low	27.8	Very low	125 Å²	125	137.2 Å²	137.2	76%	0.758	77%	0.769	S	S	*	*			trans	64.8	107.3	146.4	-140.6	0	0	0	0	118.8
239	T	28.8	Very low	27.7	Very low	117 Å²	117	137.8 Å²	137.8	72%	0.718	77%	0.773	S	S	*	*				177.5	129.9	94.7	37.1	0	0	0	0	110.7
240	D	27.1	Very low	27.8	Very low	147 Å²	147	141.9 Å²	141.9	79%	0.786	78%	0.78	S	S	*	*			trans	74.4	112.5	136.8	-74.2	-10.6	0	0	0	122.9
241	V	28.1	Very low	27.8	Very low	109 Å²	109	136.1 Å²	136.1	66%	0.661	78%	0.778	S	S	*	*				110.4	106.1	119.8	171.1	0	0	0	0	117.2
242	N	27.6	Very low	28	Very low	133 Å²	133	139.7 Å²	139.7	71%	0.711	79%	0.788	S	S	*	*			trans	64.6	125.7	140.9	-67.7	-11.5	0	0	0	116.9
243	Q	29.8	Very low	28.1	Very low	165 Å²	165	138.8 Å²	138.8	77%	0.771	78%	0.783	S	S	*	*			cis	174.6	136.8	47.1	-122.3	162.5	18.5	0	0	108.9
244	S	29.1	Very low	28.1	Very low	107 Å²	107	141 Å²	141	75%	0.748	79%	0.786	S	S	*	*			trans	61.9	127.9	142.6	73.9	0	0	0	0	119.2
245	C	29.4	Very low	28.3	Very low	122 Å²	122	141.9 Å²	141.9	82%	0.824	78%	0.783	S	S	*	*			cis	-153.1	153	29.4	-82	0	0	0	0	112.3
246	D	27.8	Very low	28.2	Very low	135 Å²	135	145 Å²	145	72%	0.722	79%	0.789	S	S	*	*			trans	-24.8	153.6	160.3	-76.2	-56.2	0	0	0	116.7
247	W	27.4	Very low	28.2	Very low	232 Å²	232	147.3 Å²	147.3	88%	0.879	79%	0.791	S	S	*	*				-152.6	148.9	68.7	-80.4	77.9	0	0	0	114.2
248	N	31.7	Very low	28.4	Very low	142 Å²	142	149.2 Å²	149.2	76%	0.759	79%	0.793	S	S	*	*			trans	96.7	59.6	159.5	-55.9	-21.5	0	0	0	118.5
249	S	27.5	Very low	28.5	Very low	116 Å²	116	148.8 Å²	148.8	81%	0.811	80%	0.795	S	S	*	*			trans	-86.7	112.7	149	-73.1	0	0	0	0	109.9
250	E	29.4	Very low	28.6	Very low	194 Å²	194	151.2 Å²	151.2	91%	0.907	80%	0.798	S	S	*	*			trans	-170.5	3.4	148.2	-113.6	174.1	-177.2	0	0	115.2
251	A	28.3	Very low	28.6	Very low	100 Å²	100	151.6 Å²	151.6	83%	0.826	80%	0.799	S	S	*	*	S	Bend	trans	-102.9	4.7	179.7	0	0	0	0	0	115.6
252	L	28.4	Very low	28.6	Very low	180 Å²	180	150.9 Å²	150.9	94%	0.942	79%	0.791	S	S	*	*			trans	-120.7	67.9	-178.3	-69.4	171.6	0	0	0	111.3
253	S	27.8	Very low	28.6	Very low	105 Å²	105	151.5 Å²	151.5	73%	0.734	79%	0.794	S	S	*	*			trans	-120.9	87.2	157.4	67.9	0	0	0	0	108.5
254	M	29	Very low	28.7	Very low	157 Å²	157	151.6 Å²	151.6	77%	0.773	80%	0.799	S	S	*	*	S	Bend	trans	-170.1	103.1	140.5	-101.4	-178.2	83.7	0	0	111
255	R	29.1	Very low	28.6	Very low	222 Å²	222	155.5 Å²	155.5	84%	0.838	80%	0.797	S	S	*	*			trans	85.7	94	151.8	-58.9	-173	-176.8	-173.4	1.8	118.5
256	N	25.9	Very low	28.6	Very low	147 Å²	147	154.2 Å²	154.2	79%	0.786	79%	0.79	S	S	*	*			trans	-42.3	131.7	150	-65	-18.6	0	0	0	112.2
257	Y	29.3	Very low	28.6	Very low	232 Å²	232	155.9 Å²	155.9	91%	0.91	79%	0.793	S	S	*	*			trans	-135.8	127.3	141.7	-118.9	-86.9	0	0	0	107.7
258	D	30.2	Very low	28.9	Very low	146 Å²	146	151.8 Å²	151.8	78%	0.781	79%	0.788	S	S	*	*			trans	-64.2	155.4	-160.9	-72.3	-59.1	0	0	0	115.5
259	S	27.7	Very low	28.9	Very low	116 Å²	116	153.5 Å²	153.5	81%	0.811	79%	0.791	S	S	*	*			trans	-80.2	119.5	172	-53.4	0	0	0	0	109.6
260	E	30.1	Very low	29.4	Very low	168 Å²	168	152.2 Å²	152.2	79%	0.785	78%	0.775	S	S	*	*			trans	-118.3	110.9	157.7	-83.8	-171.9	164.6	0	0	109.2	I262	E260-I262 PolarHBondContact O-N 2.79Å
261	I	27.4	Very low	29.7	Very low	155 Å²	155	145.3 Å²	145.3	80%	0.795	75%	0.746	S	S	*	*			trans	-72.9	112.9	165.1	-68.2	-179.6	0	0	0	106.4
262	I	28.6	Very low	30.2	Very low	95 Å²	95	145.1 Å²	145.1	49%	0.487	74%	0.735	S	S	.	*			trans	-115	122.4	171.3	-63.1	177.1	0	0	0	108.7	E260 L264	E260-I262 PolarHBondContact O-N 2.79Å; I262-L264 PolarHBondContact O-N 3Å
263	D	27.8	Very low	30.7	Very low	146 Å²	146	141.1 Å²	141.1	78%	0.781	72%	0.718	S	S	*	*			trans	-62.1	105.7	177.4	-171.1	13.4	0	0	0	111.2	R265	D263-R265 PolarHBondContact O-N 3.44Å
264	L	31	Very low	31.4	Very low	166 Å²	166	144.3 Å²	144.3	87%	0.869	71%	0.714	S	S	*	*			trans	-98.5	68.6	-172.7	-89.9	154.4	0	0	0	111	I262	I262-L264 PolarHBondContact O-N 3Å
265	R	26.6	Very low	32.2	Very low	189 Å²	189	144.6 Å²	144.6	71%	0.713	71%	0.713	S	S	*	*	S	Bend	trans	-126.4	10.3	172.9	-111	-173.7	-176.1	152.3	3.6	116.8	D263	D263-R265 PolarHBondContact O-N 3.44Å
266	S	28.8	Very low	33.7	Very low	96 Å²	96	138.1 Å²	138.1	67%	0.671	70%	0.698	S	S	*	*	S	Bend	trans	-150.9	136.3	170.3	61.2	0	0	0	0	111.4
267	Q	27.7	Very low	35.4	Very low	169 Å²	169	135 Å²	135	79%	0.79	68%	0.682	S	S	*	*			trans	95	83.1	166.4	-49.1	-179	20.2	0	0	116.4
268	L	33.7	Very low	36.1	Very low	147 Å²	147	132.8 Å²	132.8	77%	0.77	69%	0.685	S	S	*	*			trans	-174.2	109.4	134.9	-95.9	160.5	0	0	0	106.9	L270	L268-L270 PolarHBondContact O-N 3.2Å
269	Q	32.9	Very low	36.8	Very low	178 Å²	178	130.5 Å²	130.5	83%	0.832	68%	0.681	S	S	*	*			trans	-68.4	100.2	173.1	-77.5	179.4	-17.8	0	0	108.3
270	L	37.8	Very low	37.2	Very low	89 Å²	89	128.1 Å²	128.1	47%	0.466	66%	0.663	S	S	.	*			trans	-65	157	173.9	-68	169.7	0	0	0	110.3	L268 V272	L268-L270 PolarHBondContact O-N 3.2Å; L270-V272 PolarHBondContact O-N 3.01Å
271	P	36.3	Very low	37.7	Very low	48 Å²	48	125.4 Å²	125.4	31%	0.312	65%	0.653	S	S	.	*			trans	-49.2	119.8	168.7	-22.3	31	0	0	0	109.4	I283 L285	P271-I283 HydrophobicContact CB-CG2 4.3Å; P271-L285 HydrophobicContact CB-CD2 4.26Å; P271-L285 HydrophobicContact CG-CD2 4.26Å
272	V	38.6	Very low	38.2	Very low	97 Å²	97	122.7 Å²	122.7	59%	0.588	64%	0.637	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-87.5	115.5	176.4	-179.8	0	0	0	0	106.8	L270 V284	L270-V272 PolarHBondContact O-N 3.01Å; V272-V284 PolarHBondContact O-N 2.88Å; V272-V284 VanDerWaalsContact O-N 3.17Å
273	T	39.5	Very low	38.9	Very low	95 Å²	95	123.3 Å²	123.3	58%	0.583	64%	0.641	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-85.2	125	166.7	50.7	0	0	0	0	108.8	I281 E282 I283	T273-I281 HydrophobicContact CG2-CG2 4.06Å; T273-E282 WeakPolarHBondContact CA-O 3.49Å; T273-I283 HydrophobicContact CG2-CG1 4.29Å
274	R	42.3	Very low	39.6	Very low	173 Å²	173	120.2 Å²	120.2	65%	0.653	63%	0.627	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-115.1	125.3	171.1	-173.9	178	177.2	169.3	-0.8	108.8	V276 E282	R274-V276 PolarHBondContact O-N 3.04Å; R274-E282 PolarHBondContact N-O 3.14Å; R274-E282 PolarHBondContact O-N 3.43Å
275	E	44.5	Very low	39.9	Very low	162 Å²	162	117.7 Å²	117.7	76%	0.757	61%	0.613	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-70	122.7	166.5	-74.1	-179.2	172.9	0	0	108.2	I281	E275-I281 HydrophobicContact CG-CG1 4.43Å
276	V	60.6	Low	40.2	Very low	87 Å²	87	112 Å²	112	53%	0.527	60%	0.601	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-92.3	-38.4	177.2	-176.8	0	0	0	0	109.5	R274 C280 E282	R274-V276 PolarHBondContact O-N 3.04Å; V276-C280 HydrophobicContact CB-CB 4.32Å; V276-C280 PolarHBondContact N-O 3.13Å; V276-E282 HydrophobicContact CG2-CB 3.73Å
277	D	61.5	Low	40.6	Very low	82 Å²	82	112.9 Å²	112.9	44%	0.439	60%	0.604	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-166.5	-179.1	172.7	57.7	46.7	0	0	0	111.2	S279 C280	D277-S279 PolarHBondContact O-N 3.05Å; D277-S279 WeakPolarHBondContact OD1-CA 3.37Å; D277-S279 WeakPolarHBondContact OD1-CB 3.41Å; D277-S279 PolarHBondContact OD1-N 2.8Å; D277-S279 PolarHBondContact OD1-OG 3.13Å; D277-C280 PolarHBondContact O-N 3.28Å; D277-C280 PolarHBondContact OD1-N 2.75Å
278	D	45.7	Very low	40.9	Very low	184 Å²	184	110.8 Å²	110.8	98%	0.984	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.9	-3	179.2	-69.2	-22.2	0	0	0	114.8
279	S	43.5	Very low	40.8	Very low	99 Å²	99	113.5 Å²	113.5	69%	0.692	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.8	-6.9	-178.1	66.9	0	0	0	0	115.3	D277	D277-S279 PolarHBondContact O-N 3.05Å; D277-S279 WeakPolarHBondContact OD1-CA 3.37Å; D277-S279 WeakPolarHBondContact OD1-CB 3.41Å; D277-S279 PolarHBondContact OD1-N 2.8Å; D277-S279 PolarHBondContact OD1-OG 3.13Å
280	C	35.9	Very low	40.7	Very low	65 Å²	65	111.1 Å²	111.1	44%	0.439	61%	0.607	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-141.3	133.5	-172.4	-65.3	0	0	0	0	114	V276 D277	V276-C280 HydrophobicContact CB-CB 4.32Å; V276-C280 PolarHBondContact N-O 3.13Å; D277-C280 PolarHBondContact O-N 3.28Å; D277-C280 PolarHBondContact OD1-N 2.75Å
281	I	40.5	Very low	40.3	Very low	111 Å²	111	112.6 Å²	112.6	57%	0.569	63%	0.625	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-115.7	121.2	168.7	-59.7	173.2	0	0	0	108	T273 E275 I283	T273-I281 HydrophobicContact CG2-CG2 4.06Å; E275-I281 HydrophobicContact CG-CG1 4.43Å; I281-I283 HydrophobicContact CG2-CG1 4.48Å
282	E	39.5	Very low	40	Very low	99 Å²	99	114.9 Å²	114.9	46%	0.463	64%	0.642	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-85.9	128.3	171.4	-175.2	-179.7	-157.6	0	0	109.3	T273 R274 V276 V284	T273-E282 WeakPolarHBondContact CA-O 3.49Å; R274-E282 PolarHBondContact N-O 3.14Å; R274-E282 PolarHBondContact O-N 3.43Å; V276-E282 HydrophobicContact CG2-CB 3.73Å; E282-V284 HydrophobicContact CG-CG2 4.23Å
283	I	41.6	Very low	39.5	Very low	108 Å²	108	116.5 Å²	116.5	55%	0.554	65%	0.652	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-110.1	108.4	176.2	-55.3	177	0	0	0	107.8	P271 T273 I281 L285	P271-I283 HydrophobicContact CB-CG2 4.3Å; T273-I283 HydrophobicContact CG2-CG1 4.29Å; I281-I283 HydrophobicContact CG2-CG1 4.48Å; I283-L285 HydrophobicContact CG2-CD2 4.1Å; I283-L285 HydrophobicContact CG2-CG 4.47Å
284	V	42.7	Very low	39	Very low	81 Å²	81	119.8 Å²	119.8	49%	0.491	67%	0.665	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-91.8	111.7	174.8	-175.4	0	0	0	0	108.8	V272 E282	V272-V284 PolarHBondContact O-N 2.88Å; V272-V284 VanDerWaalsContact O-N 3.17Å; E282-V284 HydrophobicContact CG-CG2 4.23Å
285	L	37.5	Very low	38.5	Very low	113 Å²	113	118.1 Å²	118.1	59%	0.592	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-86.9	138.4	174.4	-62.4	175.5	0	0	0	110.3	P271 I283	P271-L285 HydrophobicContact CB-CD2 4.26Å; P271-L285 HydrophobicContact CG-CD2 4.26Å; I283-L285 HydrophobicContact CG2-CD2 4.1Å; I283-L285 HydrophobicContact CG2-CG 4.47Å
286	P	32.9	Very low	37.6	Very low	69 Å²	69	117.7 Å²	117.7	45%	0.448	68%	0.677	S	S	.	*	P	Polyproline II helix	trans	-68.7	149.3	171.3	27.3	-31.8	0	0	0	111.3	T288	P286-T288 PolarHBondContact O-N 2.98Å
287	P	37.1	Very low	36.3	Very low	115 Å²	115	120.4 Å²	120.4	75%	0.747	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-66	131.6	-177.2	24.4	-31.9	0	0	0	112.3
288	T	33.9	Very low	34.8	Very low	124 Å²	124	125.1 Å²	125.1	76%	0.761	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-85.6	117	172.6	49.3	0	0	0	0	111.1	P286	P286-T288 PolarHBondContact O-N 2.98Å
289	F	32.2	Very low	34.1	Very low	204 Å²	204	120.9 Å²	120.9	90%	0.895	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-79.5	126.6	167	-85.8	-92.8	0	0	0	110.6
290	T	30.4	Very low	33.5	Very low	128 Å²	128	123 Å²	123	79%	0.785	70%	0.702	S	S	*	*			trans	-84.6	114.7	168.4	46.8	0	0	0	0	109.3	S292	T290-S292 PolarHBondContact O-N 2.86Å
291	S	29.9	Very low	33.1	Very low	120 Å²	120	128 Å²	128	84%	0.839	72%	0.718	S	S	*	*			trans	-81.5	92.2	170.2	-169.1	0	0	0	0	108.9
292	S	28.9	Very low	32.5	Very low	97 Å²	97	127.1 Å²	127.1	68%	0.678	72%	0.722	S	S	*	*			trans	-105.5	148.9	152	62.7	0	0	0	0	107.5	T290	T290-S292 PolarHBondContact O-N 2.86Å
293	V	28.3	Very low	32.1	Very low	130 Å²	130	129.2 Å²	129.2	79%	0.788	74%	0.737	S	S	*	*			trans	88.5	83.2	-176.2	-163.6	0	0	0	0	114.5
294	L	28.7	Very low	31.5	Very low	165 Å²	165	129.3 Å²	129.3	86%	0.864	74%	0.742	S	S	*	*			trans	-154.4	81.7	143	-93.2	172.8	0	0	0	107.8
295	T	32	Very low	30.8	Very low	138 Å²	138	132.7 Å²	132.7	85%	0.847	76%	0.756	S	S	*	*			trans	-98.8	116.1	161.3	45	0	0	0	0	108.7
296	N	27.4	Very low	30.5	Very low	152 Å²	152	131.5 Å²	131.5	81%	0.813	76%	0.758	S	S	*	*			trans	-50.2	135.9	165.1	-74.3	-32.4	0	0	0	111.5
297	T	31.4	Very low	30.3	Very low	144 Å²	144	134 Å²	134	88%	0.883	77%	0.772	S	S	*	*				-169.8	132.5	126.5	23.5	0	0	0	0	111.6
298	Q	31.1	Very low	30.1	Very low	182 Å²	182	132.9 Å²	132.9	85%	0.85	77%	0.767	S	S	*	*			trans	-71.6	150.2	175.8	-71.5	169.3	-14.8	0	0	112.2
299	S	30.3	Very low	29.9	Very low	94 Å²	94	134.2 Å²	134.2	66%	0.657	77%	0.769	S	S	*	*			trans	67.3	119.7	141.1	63.9	0	0	0	0	121.3
300	N	30.5	Very low	29.8	Very low	144 Å²	144	129.9 Å²	129.9	77%	0.77	76%	0.759	S	S	*	*			trans	85.7	108.8	131.3	-66.4	-1	0	0	0	120.7
301	E	29.3	Very low	29.7	Very low	169 Å²	169	130.2 Å²	130.2	79%	0.79	76%	0.755	S	S	*	*				65.9	103	125.5	-65.2	-167.3	152.1	0	0	120.3
302	S	27.8	Very low	29.7	Very low	93 Å²	93	130.8 Å²	130.8	65%	0.65	75%	0.748	S	S	*	*				77.8	132.7	119.8	77.2	0	0	0	0	120.3
303	N	29.4	Very low	29.7	Very low	143 Å²	143	131.6 Å²	131.6	77%	0.765	75%	0.754	S	S	*	*			trans	95.4	112.1	141.8	-72.4	-21.9	0	0	0	120.5
304	V	30.2	Very low	30	Very low	111 Å²	111	133.9 Å²	133.9	67%	0.673	76%	0.756	S	S	*	*				95.9	108.8	121.6	171.5	0	0	0	0	117
305	L	28.6	Very low	30.5	Very low	151 Å²	151	131.1 Å²	131.1	79%	0.791	75%	0.748	S	S	*	*			trans	46.8	139.4	130.6	-70.9	131	0	0	0	117.9
306	S	29.4	Very low	30.7	Very low	89 Å²	89	130.3 Å²	130.3	62%	0.622	74%	0.742	S	S	*	*			cis	-179.9	145.9	25.9	19.8	0	0	0	0	110.2
307	T	29.4	Very low	31	Very low	122 Å²	122	129.5 Å²	129.5	75%	0.748	74%	0.738	S	S	*	*			trans	77.4	121.5	134.1	59.6	0	0	0	0	123.2
308	S	32.2	Very low	31.1	Very low	90 Å²	90	128.8 Å²	128.8	63%	0.629	73%	0.729	S	S	*	*				81.4	109.6	126.4	53.1	0	0	0	0	118.8
309	N	31	Very low	31.2	Very low	153 Å²	153	126.5 Å²	126.5	82%	0.818	72%	0.722	S	S	*	*				92.2	143.7	87.9	-79.2	-9.4	0	0	0	111.1
310	V	29.3	Very low	31.5	Very low	112 Å²	112	129.6 Å²	129.6	68%	0.679	73%	0.73	S	S	*	*			cis	171.9	153.2	-13.5	116.3	0	0	0	0	104.8
311	I	29.4	Very low	31.6	Very low	135 Å²	135	130.3 Å²	130.3	69%	0.692	73%	0.728	S	S	*	*			trans	92.1	115.6	148.9	-81.4	165.7	0	0	0	123.4
312	N	29.7	Very low	31.8	Very low	132 Å²	132	129.7 Å²	129.7	71%	0.706	73%	0.725	S	S	*	*				76.7	122.1	127.5	-62.6	-1.2	0	0	0	124.3
313	S	27.6	Very low	31.9	Very low	114 Å²	114	131.9 Å²	131.9	80%	0.797	73%	0.73	S	S	*	*			trans	-88.4	141.8	150.2	51.1	0	0	0	0	111.8
314	H	35.5	Very low	31.8	Very low	179 Å²	179	129.8 Å²	129.8	83%	0.829	73%	0.725	S	S	*	*			trans	-132.7	153.6	159.1	-103.1	-64.4	0	0	0	110.6
315	P	39.8	Very low	31.8	Very low	106 Å²	106	131.7 Å²	131.7	69%	0.688	73%	0.727	S	S	*	*			trans	-103.2	-178	-170.3	38.6	-27.8	0	0	0	113.2
316	V	34.9	Very low	31.7	Very low	121 Å²	121	131.5 Å²	131.5	73%	0.733	72%	0.722	S	S	*	*			trans	152.9	122.3	138.4	163.1	0	0	0	0	113.3
317	D	33.4	Very low	31.8	Very low	135 Å²	135	135.7 Å²	135.7	72%	0.722	74%	0.737	S	S	*	*			trans	60.9	138.4	138.6	-59.4	-16.3	0	0	0	128
318	D	35.2	Very low	31.8	Very low	129 Å²	129	137.6 Å²	137.6	69%	0.69	74%	0.738	S	S	*	*				100	110	128.4	-83.4	-21.4	0	0	0	123.7
319	N	32.3	Very low	31.7	Very low	135 Å²	135	140.2 Å²	140.2	72%	0.722	74%	0.744	S	S	*	*				55	130.4	127.9	-75	-45	0	0	0	122.2
320	I	36.1	Very low	31.8	Very low	159 Å²	159	137.9 Å²	137.9	82%	0.815	74%	0.737	S	S	*	*				173.3	115.7	118.8	-84.1	156.5	0	0	0	112.4
321	H	33.3	Very low	31.8	Very low	159 Å²	159	140.8 Å²	140.8	74%	0.736	75%	0.745	S	S	*	*			trans	23.8	140.6	137.2	-89.5	-73.2	0	0	0	125.6
322	Q	34.1	Very low	32	Very low	155 Å²	155	141.6 Å²	141.6	72%	0.724	75%	0.751	S	S	*	*				103.1	108.3	125.4	-94.5	162.6	-16.8	0	0	122.6
323	N	28.9	Very low	32.1	Very low	140 Å²	140	142.9 Å²	142.9	75%	0.749	75%	0.753	S	S	*	*				79.9	141.1	117.9	-101.9	9	0	0	0	124.5
324	C	28.6	Very low	32.2	Very low	98 Å²	98	142.9 Å²	142.9	66%	0.662	75%	0.748	S	S	*	*			trans	78.4	144.7	147.1	-70.3	0	0	0	0	117.7
325	Q	29.3	Very low	32	Very low	151 Å²	151	142.1 Å²	142.1	71%	0.706	75%	0.75	S	S	*	*			cis	-174.6	155.1	-15.3	-131.1	174.4	-45.3	0	0	105.9
326	E	25.8	Very low	31.5	Very low	148 Å²	148	145.6 Å²	145.6	69%	0.692	76%	0.757	S	S	*	*			trans	16.1	129.8	150	-68.4	163.4	132.4	0	0	120.7
327	N	31.6	Very low	31.4	Very low	176 Å²	176	151 Å²	151	94%	0.941	77%	0.766	S	S	*	*				-166.5	150.7	118.2	-96.4	-30.4	0	0	0	113.8
328	Q	28.9	Very low	31.1	Very low	163 Å²	163	150.8 Å²	150.8	76%	0.762	77%	0.765	S	S	*	*			trans	-121	158.6	-160.6	-142.7	-176.1	57.7	0	0	109
329	L	30.4	Very low	31.1	Very low	145 Å²	145	151.3 Å²	151.3	76%	0.759	77%	0.768	S	S	*	*			trans	84.1	164.8	154.8	-57	166.3	0	0	0	119.2
330	P	34.4	Very low	31.1	Very low	104 Å²	104	151.8 Å²	151.8	68%	0.675	77%	0.771	S	S	*	*				-143.9	176.8	-62.7	42.6	-24.6	0	0	0	114.9
331	M	28	Very low	30.8	Very low	172 Å²	172	152.5 Å²	152.5	85%	0.847	77%	0.77	S	S	*	*			trans	37.7	126.8	145.2	-73.4	-94.5	-97.5	0	0	123
332	D	33.8	Very low	30.8	Very low	152 Å²	152	153.1 Å²	153.1	81%	0.813	78%	0.777	S	S	*	*			trans	-153.6	110.1	143.6	-96.1	-27.5	0	0	0	108.4
333	Q	33.3	Very low	30.4	Very low	159 Å²	159	152.2 Å²	152.2	74%	0.743	78%	0.777	S	S	*	*				70.9	106.7	88.9	-73.6	-162.2	21	0	0	117.2
334	T	27.8	Very low	30.5	Very low	114 Å²	114	150.9 Å²	150.9	70%	0.699	78%	0.779	S	S	*	*			trans	58.2	124.2	134.2	56	0	0	0	0	121.4
335	N	32.7	Very low	30.5	Very low	164 Å²	164	152 Å²	152	88%	0.877	78%	0.783	S	S	*	*				-155.1	117.2	127.7	-96.2	-30	0	0	0	111.6
336	Q	29.7	Very low	30.3	Very low	179 Å²	179	150.4 Å²	150.4	84%	0.836	78%	0.784	S	S	*	*			trans	-80.7	142	164.7	-82.6	173.8	-28.4	0	0	109.6
337	Y	31.6	Very low	30.3	Very low	233 Å²	233	150.7 Å²	150.7	91%	0.914	79%	0.789	S	S	*	*			trans	-135.8	113.6	153.2	-111	-88.7	0	0	0	108.1
338	N	27.4	Very low	30.2	Very low	132 Å²	132	146.4 Å²	146.4	71%	0.706	78%	0.778	S	S	*	*			trans	-77	146.6	161.4	-85.6	-21.6	0	0	0	108.5
339	D	34.7	Very low	29.8	Very low	139 Å²	139	144 Å²	144	74%	0.743	78%	0.779	S	S	*	*				-179.4	135.2	114.9	-96.7	-7.9	0	0	0	114.8
340	N	33.5	Very low	29.9	Very low	146 Å²	146	142.3 Å²	142.3	78%	0.781	78%	0.776	S	S	*	*			trans	87.2	105.9	142.1	-62.6	-27.9	0	0	0	122.5
341	Q	30.1	Very low	29.5	Very low	173 Å²	173	143.7 Å²	143.7	81%	0.808	78%	0.782	S	S	*	*			trans	-46.5	144.2	154.5	-66.8	169.7	-14	0	0	114.5
342	I	33.3	Very low	29.2	Very low	172 Å²	172	141.7 Å²	141.7	88%	0.882	78%	0.78	S	S	*	*			trans	-143.5	127.2	134.4	-62	-172.1	0	0	0	109.1
343	N	25.8	Very low	28.7	Very low	136 Å²	136	139 Å²	139	73%	0.727	78%	0.778	S	S	*	*			trans	-75.6	150.5	172.8	-72.5	-36.5	0	0	0	112.3
344	S	30.7	Very low	28.2	Very low	112 Å²	112	136.8 Å²	136.8	78%	0.783	78%	0.781	S	S	*	*				168.7	109	124	-89.3	0	0	0	0	111.9
345	T	27.6	Very low	28.1	Very low	121 Å²	121	137.6 Å²	137.6	74%	0.742	79%	0.785	S	S	*	*				66.9	98.9	95.7	-13.9	0	0	0	0	116.6
346	T	24.8	Very low	27.7	Very low	119 Å²	119	138.3 Å²	138.3	73%	0.73	78%	0.783	S	S	*	*				65.4	134.4	129.7	-31.6	0	0	0	0	121.8
347	I	27.1	Very low	27.7	Very low	154 Å²	154	136.2 Å²	136.2	79%	0.79	78%	0.782	S	S	*	*			trans	138.7	116	131.1	-67.6	171	0	0	0	113.3
348	A	27.8	Very low	27.3	Very low	86 Å²	86	134.1 Å²	134.1	71%	0.711	78%	0.778	S	S	*	*			trans	53.8	129	144.5	0	0	0	0	0	123.3
349	S	22.1	Very low	27.6	Very low	112 Å²	112	133.4 Å²	133.4	78%	0.783	78%	0.783	S	S	*	*				8.6	165.4	117.3	-81.5	0	0	0	0	119.1
350	P	31.4	Very low	27.6	Very low	110 Å²	110	132.2 Å²	132.2	71%	0.714	79%	0.786	S	S	*	*			cis	-151.9	-160.6	9.7	21.7	9.9	0	0	0	114.6
351	V	26.3	Very low	27.8	Very low	132 Å²	132	131 Å²	131	80%	0.8	79%	0.785	S	S	*	*			trans	87	128.2	142.5	-176.1	0	0	0	0	121.1
352	V	21.7	Very low	28	Very low	131 Å²	131	127.9 Å²	127.9	79%	0.794	78%	0.783	S	S	*	*			trans	-69	138.7	166.4	176.7	0	0	0	0	112.2
353	A	23.5	Very low	28.1	Very low	94 Å²	94	124.5 Å²	124.5	78%	0.777	77%	0.774	S	S	*	*			trans	-145	121.8	162.2	0	0	0	0	0	112.5
354	S	22.1	Very low	28.4	Very low	114 Å²	114	124 Å²	124	80%	0.797	78%	0.776	S	S	*	*			trans	-80	144.2	166.2	-58	0	0	0	0	110.7
355	V	25.8	Very low	28.7	Very low	131 Å²	131	126.4 Å²	126.4	79%	0.794	78%	0.781	S	S	*	*			trans	-136.9	121.1	165.3	179.7	0	0	0	0	111	V357	V355-V357 HydrophobicContact CG1-CG2 4.28Å
356	H	24.1	Very low	28.9	Very low	179 Å²	179	126.5 Å²	126.5	83%	0.829	79%	0.787	S	S	*	*			trans	-81.3	137.4	161.9	-100.2	24.3	0	0	0	110.1
357	V	29.7	Very low	29.6	Very low	135 Å²	135	126.5 Å²	126.5	82%	0.818	79%	0.788	S	S	*	*			trans	-148.4	124.3	146.4	-175	0	0	0	0	110.8	V355	V355-V357 HydrophobicContact CG1-CG2 4.28Å
358	K	24.7	Very low	29.8	Very low	188 Å²	188	124.4 Å²	124.4	82%	0.817	79%	0.787	S	S	*	*			trans	-83.9	140.3	166.5	-73.2	173.4	173.1	176.1	0	110
359	S	32.8	Very low	30.1	Very low	118 Å²	118	125 Å²	125	83%	0.825	79%	0.786	S	S	*	*				162.5	132.4	121	57.8	0	0	0	0	113.1
360	S	34.7	Very low	30.7	Very low	114 Å²	114	126.1 Å²	126.1	80%	0.797	79%	0.789	S	S	*	*			trans	-66.3	-165.8	-177.4	-40.1	0	0	0	0	115.8
361	P	38.5	Very low	30.8	Very low	119 Å²	119	127.7 Å²	127.7	77%	0.773	79%	0.791	S	S	*	*				-133.7	161.8	-68.4	36.4	-18.8	0	0	0	113.2
362	S	33.8	Very low	31	Very low	109 Å²	109	126.3 Å²	126.3	76%	0.762	79%	0.787	S	S	*	*			trans	179.8	133.3	142.3	53.9	0	0	0	0	113.8
363	S	36.4	Very low	31.9	Very low	100 Å²	100	126 Å²	126	70%	0.699	79%	0.788	S	S	*	*			trans	63.5	105.7	149.6	61.8	0	0	0	0	120.8
364	T	31.4	Very low	33.2	Very low	125 Å²	125	127 Å²	127	77%	0.767	79%	0.789	S	S	*	*			trans	43.5	105.4	131.5	45.4	0	0	0	0	119
365	N	37.5	Very low	35.3	Very low	163 Å²	163	125.4 Å²	125.4	87%	0.872	78%	0.778	S	S	*	*			trans	-160.2	111.7	131.2	-91	-28.4	0	0	0	107.9	P367	N365-P367 WeakPolarHBondContact O-CD 3.31Å
366	S	30.3	Very low	38.3	Very low	124 Å²	124	122.6 Å²	122.6	87%	0.867	76%	0.759	S	S	*	*			trans	-80.3	121.4	175.6	35.5	0	0	0	0	110.7
367	P	39.4	Very low	41.6	Very low	118 Å²	118	115.2 Å²	115.2	77%	0.766	72%	0.723	S	S	*	*			trans	-93.9	125.8	159.9	19.7	-1.8	0	0	0	109	N365 S369	N365-P367 WeakPolarHBondContact O-CD 3.31Å; P367-S369 PolarHBondContact O-N 2.84Å
368	S	32.6	Very low	44.7	Very low	110 Å²	110	109.9 Å²	109.9	77%	0.769	69%	0.689	S	S	*	*			trans	-43.5	122.2	171.8	48.1	0	0	0	0	113.1	T370	S368-T370 PolarHBondContact O-N 3.48Å
369	S	34.2	Very low	48.1	Very low	99 Å²	99	101.5 Å²	101.5	69%	0.692	65%	0.654	S	S	*	*			trans	-66.8	110.1	166.3	52.5	0	0	0	0	110.3	P367 N371	P367-S369 PolarHBondContact O-N 2.84Å; S369-N371 PolarHBondContact O-N 2.9Å; S369-N371 VanDerWaalsContact O-N 3.16Å
370	T	33.5	Very low	51.2	Low	135 Å²	135	95.9 Å²	95.9	83%	0.828	61%	0.614	S	S	*	*			trans	-74.7	93.1	161.2	44.3	0	0	0	0	108.5	S368 S372	S368-T370 PolarHBondContact O-N 3.48Å; T370-S372 PolarHBondContact O-N 2.87Å
371	N	34.3	Very low	54.2	Low	144 Å²	144	90.5 Å²	90.5	77%	0.77	58%	0.576	S	S	*	*			trans	-67.5	105.2	163.6	-79.5	-24.4	0	0	0	108.1	S369	S369-N371 PolarHBondContact O-N 2.9Å; S369-N371 VanDerWaalsContact O-N 3.16Å
372	S	30.4	Very low	57.1	Low	103 Å²	103	84.8 Å²	84.8	72%	0.72	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-62.6	129.1	159.8	47.2	0	0	0	0	108.2	T370 S374	T370-S372 PolarHBondContact O-N 2.87Å; S372-S374 PolarHBondContact O-N 2.78Å
373	P	40.2	Very low	60.2	Low	123 Å²	123	79.6 Å²	79.6	80%	0.799	50%	0.503	S	S	*	.	P	Polyproline II helix	trans	-58.3	128.7	-179.8	23.7	-31.5	0	0	0	109.3	S375	P373-S375 PolarHBondContact O-N 2.86Å; P373-S375 VanDerWaalsContact O-N 3.14Å
374	S	51.4	Low	63.1	Low	116 Å²	116	74.9 Å²	74.9	81%	0.811	47%	0.47	S	S	*	.	P	Polyproline II helix	trans	-49.4	117.9	174.9	48.4	0	0	0	0	110	S372 N376	S372-S374 PolarHBondContact O-N 2.78Å; S374-N376 PolarHBondContact O-N 3.25Å
375	S	65.9	Low	66.2	Low	80 Å²	80	70.8 Å²	70.8	56%	0.559	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-51.7	132.8	172.8	170.2	0	0	0	0	109.6	P373 W377	P373-S375 PolarHBondContact O-N 2.86Å; P373-S375 VanDerWaalsContact O-N 3.14Å; S375-W377 PolarHBondContact O-N 3.4Å
376	N	87.7	Confident	68.9	Low	73 Å²	73	63.9 Å²	63.9	39%	0.39	41%	0.409	S	S	.	.			trans	-73.8	23.3	-179	-164.2	30.6	0	0	0	113.1	C186 H188 S374 R378	C186-N376 PolarHBondContact O-ND2 3.17Å; H188-N376 PolarHBondContact CE1-ND2 3.05Å; H188-N376 VanDerWaalsContact CE1-ND2 3.27Å; H188-N376 PolarHBondContact ND1-ND2 3.31Å; S374-N376 PolarHBondContact O-N 3.25Å; N376-R378 PolarHBondContact O-N 3.36Å
377	W	93.6	Very high	72	Confident	23 Å²	23	64.8 Å²	64.8	9%	0.087	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-74.5	118.6	-175.1	-179.4	-89.9	0	0	0	111.1	K182 C185 S375 L380 C479 S480 T481 E482 F485	K182-W377 HydrophobicContact CB-CZ3 4.47Å; K182-W377 HydrophobicContact CG-CZ3 4.21Å; C185-W377 HydrophobicContact CB-CD2 3.71Å; C185-W377 HydrophobicContact CB-CE3 3.45Å; C185-W377 VanDerWaalsContact CB-CE3 3.45Å; C185-W377 HydrophobicContact CB-CH2 3.63Å; C185-W377 HydrophobicContact CB-CZ2 3.86Å; C185-W377 HydrophobicContact CB-CZ3 3.43Å; C185-W377 VanDerWaalsContact CB-CZ3 3.43Å; C185-W377 VanDerWaalsContact SG-CH2 3.59Å; S375-W377 PolarHBondContact O-N 3.4Å; W377-L380 HydrophobicContact CH2-CD2 4.47Å; W377-L380 HydrophobicContact CZ2-CB 3.84Å; W377-L380 HydrophobicContact CZ2-CD2 4.1Å; W377-C479 PolarHBondContact NE1-O 2.95Å; W377-S480 VanDerWaalsContact CD1-O 3.25Å; W377-T481 VanDerWaalsContact CD1-CA 3.46Å; W377-E482 HydrophobicContact CD2-CB 3.9Å; W377-E482 HydrophobicContact CE3-CB 3.53Å; W377-E482 HydrophobicContact CE3-CG 3.9Å; W377-E482 HydrophobicContact CG-CB 4.42Å; W377-E482 HydrophobicContact CZ3-CB 3.86Å; W377-E482 HydrophobicContact CZ3-CG 3.78Å; W377-F485 HydrophobicContact CH2-CB 3.78Å; W377-F485 AromaticContact CH2-CD1 3.85Å; W377-F485 HydrophobicContact CH2-CD1 3.85Å; W377-F485 AromaticContact CH2-CG 3.91Å; W377-F485 HydrophobicContact CH2-CG 3.91Å; W377-F485 HydrophobicContact CZ2-CB 3.81Å; W377-F485 HydrophobicContact CZ2-CG 4.28Å
378	R	94.9	Very high	74.6	Confident	24 Å²	24	59.5 Å²	59.5	9%	0.091	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-76.2	130.3	166.1	-68.1	175.8	58.9	-151.6	-3.9	109.8	N165 L166 F167 C185 N376 L380	N165-R378 PolarHBondContact O-NE 2.95Å; L166-R378 PolarHBondContact O-NH2 3.39Å; L166-R378 VanDerWaalsContact O-NH2 3.09Å; F167-R378 HydrophobicContact CB-CB 4.03Å; C185-R378 PolarHBondContact O-N 3.24Å; N376-R378 PolarHBondContact O-N 3.36Å; R378-L380 PolarHBondContact O-N 2.9Å
379	P	96.6	Very high	77.4	Confident	12 Å²	12	55.2 Å²	55.2	8%	0.078	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-50.7	128.3	175.7	-25.9	33.8	0	0	0	110.7	F93 L166 F167	F93-P379 HydrophobicContact CD2-CB 3.99Å; F93-P379 HydrophobicContact CD2-CG 3.9Å; F93-P379 HydrophobicContact CE1-CG 4.46Å; F93-P379 HydrophobicContact CE2-CB 3.83Å; F93-P379 HydrophobicContact CE2-CG 3.21Å; F93-P379 HydrophobicContact CZ-CB 4.45Å; F93-P379 HydrophobicContact CZ-CG 3.55Å; L166-P379 HydrophobicContact CD1-CB 4.04Å; L166-P379 WeakPolarHBondContact CD1-O 3.26Å; F167-P379 PolarHBondContact N-O 3.49Å
380	L	98.1	Very high	80.2	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	126.4	-173.4	169.1	67.6	0	0	0	110.1	F167 H169 I181 W377 R378 L382 L478 C479 F485	F167-L380 HydrophobicContact CD1-CD1 3.83Å; F167-L380 HydrophobicContact CE1-CD1 4.34Å; F167-L380 WeakPolarHBondContact O-CA 3.21Å; H169-L380 HydrophobicContact CB-CD1 3.67Å; I181-L380 HydrophobicContact CG2-CD1 4.23Å; I181-L380 HydrophobicContact CG2-CD2 3.5Å; I181-L380 VanDerWaalsContact CG2-CD2 3.5Å; W377-L380 HydrophobicContact CH2-CD2 4.47Å; W377-L380 HydrophobicContact CZ2-CB 3.84Å; W377-L380 HydrophobicContact CZ2-CD2 4.1Å; R378-L380 PolarHBondContact O-N 2.9Å; L380-L382 HydrophobicContact CD1-CB 4.36Å; L380-L382 HydrophobicContact CD2-CB 4.27Å; L380-L382 HydrophobicContact CG-CB 4.19Å; L380-L478 CarbonylContact O-C 3.5Å; L380-L478 WeakPolarHBondContact O-CA 3.36Å; L380-C479 HydrophobicContact CB-CB 4.27Å; L380-C479 HydrophobicContact CD2-CB 4.42Å; L380-C479 PolarHBondContact N-O 3.17Å; L380-C479 PolarHBondContact O-N 2.87Å; L380-F485 HydrophobicContact CD2-CD2 3.56Å; L380-F485 HydrophobicContact CD2-CE2 3.92Å; L380-F485 HydrophobicContact CD2-CG 4.16Å
381	L	98.6	Very high	82.9	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	105.6	159.2	176.1	60.3	0	0	0	108.3	L86 A89 L166 F167 I168 H169 F383 V411 F477	L86-L381 HydrophobicContact CD1-CD2 3.84Å; A89-L381 HydrophobicContact CB-CD1 3.98Å; A89-L381 HydrophobicContact CB-CD2 3.94Å; A89-L381 HydrophobicContact CB-CG 4.46Å; L166-L381 HydrophobicContact CD1-CB 4.08Å; L166-L381 HydrophobicContact CD2-CB 3.82Å; L166-L381 HydrophobicContact CD2-CD2 3.91Å; L166-L381 HydrophobicContact CG-CB 4.05Å; F167-L381 PolarHBondContact O-N 3.14Å; I168-L381 WeakPolarHBondContact CA-O 3.45Å; I168-L381 HydrophobicContact CD1-CD2 4.17Å; I168-L381 HydrophobicContact CG1-CB 4.23Å; I168-L381 HydrophobicContact CG1-CD2 4.3Å; H169-L381 PolarHBondContact N-O 3.21Å; L381-F383 HydrophobicContact CD1-CE1 4.2Å; L381-F383 HydrophobicContact CD1-CZ 4.43Å; L381-F383 HydrophobicContact CD2-CE1 4.21Å; L381-F383 HydrophobicContact CD2-CE2 4.07Å; L381-F383 HydrophobicContact CD2-CZ 3.61Å; L381-F383 HydrophobicContact CG-CE1 4.16Å; L381-F383 HydrophobicContact CG-CE2 4.29Å; L381-F383 HydrophobicContact CG-CZ 3.95Å; L381-V411 HydrophobicContact CD1-CG2 3.82Å; L381-F477 CarbonylContact C-O 3.52Å; L381-F477 WeakPolarHBondContact CA-O 3.45Å
382	L	98.4	Very high	85.6	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	120.8	-179.9	176.8	62.8	0	0	0	110.1	H169 I176 I181 L380 V384 G476 F477 F485 L488	H169-L382 HydrophobicContact CB-CD1 4.11Å; I176-L382 HydrophobicContact CD1-CD2 3.99Å; I176-L382 HydrophobicContact CG1-CD2 4.35Å; I176-L382 HydrophobicContact CG2-CD2 4.45Å; I181-L382 HydrophobicContact CD1-CD1 4.13Å; L380-L382 HydrophobicContact CD1-CB 4.36Å; L380-L382 HydrophobicContact CD2-CB 4.27Å; L380-L382 HydrophobicContact CG-CB 4.19Å; L382-V384 HydrophobicContact CD2-CG2 4.38Å; L382-V384 HydrophobicContact CG-CG2 4.17Å; L382-G476 CarbonylContact O-C 3.6Å; L382-G476 WeakPolarHBondContact O-CA 3.35Å; L382-F477 HydrophobicContact CB-CB 4.4Å; L382-F477 HydrophobicContact CD2-CD2 4.49Å; L382-F477 PolarHBondContact N-O 3.22Å; L382-F477 PolarHBondContact O-N 3.39Å; L382-F485 HydrophobicContact CD2-CE2 4.37Å; L382-L488 HydrophobicContact CD2-CD2 4.16Å
383	F	98.4	Very high	88.6	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	133.7	169.4	-71.3	-45	0	0	0	111	I85 A151 L154 I168 H169 I170 S171 L381 V474 L475	I85-F383 HydrophobicContact CD1-CE1 4Å; I85-F383 HydrophobicContact CG1-CE1 4.31Å; I85-F383 HydrophobicContact CG2-CE1 4.14Å; I85-F383 HydrophobicContact CG2-CZ 4.08Å; A151-F383 HydrophobicContact CB-CB 4.36Å; A151-F383 HydrophobicContact CB-CD2 3.68Å; A151-F383 HydrophobicContact CB-CE2 4.18Å; A151-F383 HydrophobicContact CB-CG 4.13Å; L154-F383 HydrophobicContact CD1-CE2 4.23Å; L154-F383 HydrophobicContact CD1-CZ 4.18Å; I168-F383 HydrophobicContact CG2-CD2 3.57Å; I168-F383 HydrophobicContact CG2-CE2 3.63Å; H169-F383 PolarHBondContact O-N 3.02Å; I170-F383 CarbonylContact C-O 3.53Å; I170-F383 WeakPolarHBondContact CA-O 3.41Å; I170-F383 HydrophobicContact CG1-CB 4.1Å; I170-F383 HydrophobicContact CG1-CD2 4.22Å; I170-F383 HydrophobicContact CG2-CB 4.49Å; S171-F383 PolarHBondContact N-O 2.89Å; L381-F383 HydrophobicContact CD1-CE1 4.2Å; L381-F383 HydrophobicContact CD1-CZ 4.43Å; L381-F383 HydrophobicContact CD2-CE1 4.21Å; L381-F383 HydrophobicContact CD2-CE2 4.07Å; L381-F383 HydrophobicContact CD2-CZ 3.61Å; L381-F383 HydrophobicContact CG-CE1 4.16Å; L381-F383 HydrophobicContact CG-CE2 4.29Å; L381-F383 HydrophobicContact CG-CZ 3.95Å; F383-V474 HydrophobicContact CB-CG1 3.63Å; F383-V474 HydrophobicContact CD1-CG1 3.58Å; F383-V474 HydrophobicContact CE1-CG1 4.49Å; F383-V474 HydrophobicContact CG-CG1 3.8Å; F383-L475 CarbonylContact C-O 3.58Å; F383-L475 VanDerWaalsContact CA-O 3.3Å; F383-L475 WeakPolarHBondContact CA-O 3.42Å
384	V	97.5	Very high	91.1	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.006	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	95.4	176.2	-176.8	0	0	0	0	109.3	S171 I176 L382 L386 V474 L475 F477 V508	S171-V384 WeakPolarHBondContact OG-CA 3.23Å; I176-V384 HydrophobicContact CD1-CG2 4.14Å; I176-V384 HydrophobicContact CG1-CG2 4.34Å; L382-V384 HydrophobicContact CD2-CG2 4.38Å; L382-V384 HydrophobicContact CG-CG2 4.17Å; V384-L386 HydrophobicContact CG1-CD2 3.96Å; V384-L386 HydrophobicContact CG1-CG 4.32Å; V384-V474 WeakPolarHBondContact O-CA 3.36Å; V384-L475 HydrophobicContact CB-CB 4.21Å; V384-L475 PolarHBondContact N-O 3.46Å; V384-L475 PolarHBondContact O-N 3.19Å; V384-F477 HydrophobicContact CG2-CD2 4.43Å; V384-F477 HydrophobicContact CG2-CE2 4.19Å; V384-V508 HydrophobicContact CG1-CB 4.11Å; V384-V508 HydrophobicContact CG1-CG1 4.49Å; V384-V508 HydrophobicContact CG1-CG2 3.82Å
385	P	96.7	Very high	93.1	Very high	38 Å²	38	47.9 Å²	47.9	25%	0.247	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	136	174	-16.9	30.7	0	0	0	111.7	N148 I170 M473 V474	N148-P385 HydrophobicContact CB-CB 4.33Å; N148-P385 HydrophobicContact CB-CG 4.48Å; I170-P385 HydrophobicContact CG2-CG 3.51Å; P385-M473 CarbonylContact C-O 3.59Å; P385-M473 WeakPolarHBondContact CA-O 3.25Å; P385-V474 HydrophobicContact CB-CG2 3.92Å; P385-V474 HydrophobicContact CG-CG2 4.08Å
386	L	95.1	Very high	94.4	Very high	19 Å²	19	45.3 Å²	45.3	10%	0.099	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	150.3	-177.2	-61.8	176.9	0	0	0	111.3	V384 L388 S472 M473 L475 L507	V384-L386 HydrophobicContact CG1-CD2 3.96Å; V384-L386 HydrophobicContact CG1-CG 4.32Å; L386-L388 HydrophobicContact CB-CD2 3.97Å; L386-L388 HydrophobicContact CB-CG 4.16Å; L386-L388 HydrophobicContact CD1-CD2 4.18Å; L386-S472 WeakPolarHBondContact O-CA 3.46Å; L386-M473 PolarHBondContact N-O 3.4Å; L386-M473 PolarHBondContact O-N 3.39Å; L386-L475 HydrophobicContact CD1-CD1 3.69Å; L386-L475 HydrophobicContact CD1-CD2 3.96Å; L386-L475 HydrophobicContact CD1-CG 3.62Å; L386-L475 HydrophobicContact CG-CG 4.46Å; L386-L507 HydrophobicContact CD1-CB 4.43Å; L386-L507 HydrophobicContact CD1-CD2 4.5Å; L386-L507 WeakPolarHBondContact CD2-O 3.17Å
387	R	94.1	Very high	94.8	Very high	143 Å²	143	44.2 Å²	44.2	54%	0.54	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	97.4	165.2	-174.5	64.6	178	-169.9	-2.2	109.6	G389 L390 D470 P471	R387-G389 VanDerWaalsContact C-N 3.29Å; R387-G389 PolarHBondContact NE-O 2.91Å; R387-G389 PolarHBondContact O-N 3.35Å; R387-L390 PolarHBondContact NH2-O 3.19Å; R387-D470 IonicContact NH1-OD1 3.29Å; R387-D470 PolarHBondContact NH1-OD1 2.92Å; R387-P471 CarbonylContact C-O 3.57Å; R387-P471 WeakPolarHBondContact CA-O 3.49Å
388	L	93.6	Very high	94.8	Very high	7 Å²	7	44.4 Å²	44.4	4%	0.037	23%	0.228	C	C	.	.			trans	-87.8	10.7	-169.1	-57.8	-175.5	0	0	0	114.5	L386 P393 N394 Y397 I401 P471 M473 L507	L386-L388 HydrophobicContact CB-CD2 3.97Å; L386-L388 HydrophobicContact CB-CG 4.16Å; L386-L388 HydrophobicContact CD1-CD2 4.18Å; L388-P393 HydrophobicContact CB-CB 4.14Å; L388-N394 WeakPolarHBondContact O-CB 3.27Å; L388-N394 PolarHBondContact O-N 2.75Å; L388-Y397 HydrophobicContact CB-CD2 3.92Å; L388-Y397 HydrophobicContact CB-CE2 4.43Å; L388-Y397 HydrophobicContact CD2-CD2 4.02Å; L388-Y397 HydrophobicContact CD2-CE2 4.37Å; L388-Y397 HydrophobicContact CD2-CG 4.16Å; L388-Y397 HydrophobicContact CG-CD2 4.48Å; L388-I401 HydrophobicContact CD1-CD1 3.53Å; L388-I401 HydrophobicContact CD1-CG1 4.05Å; L388-P471 PolarHBondContact N-O 3.44Å; L388-M473 HydrophobicContact CD1-SD 4.15Å; L388-L507 HydrophobicContact CD1-CD2 4.29Å; L388-L507 HydrophobicContact CD2-CD2 3.74Å
389	G	93.3	Very high	94.8	Very high	20 Å²	20	46.4 Å²	46.4	21%	0.206	24%	0.241	C	C	.	.			trans	165.2	178.4	-179.1	0	0	0	0	0	113	R387 P471	R387-G389 VanDerWaalsContact C-N 3.29Å; R387-G389 PolarHBondContact NE-O 2.91Å; R387-G389 PolarHBondContact O-N 3.35Å; G389-P471 WeakPolarHBondContact O-CB 3.49Å; G389-P471 WeakPolarHBondContact O-CG 3.35Å
390	L	92.1	Very high	94.8	Very high	130 Å²	130	45.9 Å²	45.9	68%	0.681	24%	0.237	S	C	*	.	S	Bend	trans	-81.3	-52.7	-179.8	-65.8	178.3	0	0	0	112.2	R387	R387-L390 PolarHBondContact NH2-O 3.19Å
391	H	90.6	Very high	94.6	Very high	156 Å²	156	46 Å²	46	72%	0.722	24%	0.238	S	C	*	.	S	Bend	trans	-119.5	-38.5	-178.3	-59.3	-62.6	0	0	0	112.6	P471	H391-P471 VanDerWaalsContact O-CD 3.26Å; H391-P471 WeakPolarHBondContact O-CD 3.49Å
392	N	91	Very high	94.5	Very high	104 Å²	104	47.6 Å²	47.6	56%	0.556	25%	0.245	S	C	*	.	S	Bend	trans	-127.5	153.8	175.2	-56.1	-69.6	0	0	0	108.5	N394	N392-N394 PolarHBondContact O-N 2.94Å
393	P	92.4	Very high	94.5	Very high	5 Å²	5	47.6 Å²	47.6	3%	0.032	25%	0.245	C	C	.	.			trans	-60.3	133.7	172.8	-16.4	26.4	0	0	0	110	L388 F398 L469 P471 M473	L388-P393 HydrophobicContact CB-CB 4.14Å; P393-F398 HydrophobicContact CB-CE1 4.06Å; P393-L469 WeakPolarHBondContact CD-O 3.47Å; P393-L469 HydrophobicContact CG-CB 4.41Å; P393-L469 WeakPolarHBondContact CG-O 3.3Å; P393-P471 HydrophobicContact CG-CB 4.45Å; P393-M473 HydrophobicContact CG-CE 4.17Å
394	N	93.9	Very high	94.4	Very high	81 Å²	81	47.6 Å²	47.6	43%	0.433	25%	0.245	S	C	.	.			trans	-67.1	128.4	177.3	-171.1	-26.7	0	0	0	109.5	L388 N392 C396 Y397	L388-N394 WeakPolarHBondContact O-CB 3.27Å; L388-N394 PolarHBondContact O-N 2.75Å; N392-N394 PolarHBondContact O-N 2.94Å; N394-C396 PolarHBondContact O-N 2.9Å; N394-C396 PolarHBondContact OD1-N 3.04Å; N394-C396 PolarHBondContact OD1-SG 3.38Å; N394-C396 VanDerWaalsContact OD1-SG 3.38Å; N394-Y397 HydrophobicContact CB-CD2 3.83Å; N394-Y397 HydrophobicContact CB-CE2 3.93Å; N394-Y397 PolarHBondContact O-N 2.81Å
395	P	93.5	Very high	94.4	Very high	89 Å²	89	47.6 Å²	47.6	58%	0.578	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-52.2	-25.4	178.4	-30.4	36.8	0	0	0	115.5	Y397 F398	P395-Y397 PolarHBondContact O-N 2.88Å; P395-Y397 VanDerWaalsContact O-N 3.14Å; P395-F398 HydrophobicContact CB-CD2 4.45Å; P395-F398 HydrophobicContact CB-CE2 4.28Å; P395-F398 HydrophobicContact CB-CZ 4.32Å; P395-F398 HydrophobicContact CG-CE2 4.47Å; P395-F398 HydrophobicContact CG-CZ 4.22Å; P395-F398 WeakPolarHBondContact O-CB 3.4Å; P395-F398 PolarHBondContact O-N 2.9Å; P395-F398 VanDerWaalsContact O-N 3.11Å
396	C	93.1	Very high	94.5	Very high	26 Å²	26	50.8 Å²	50.8	18%	0.176	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-57	-29.6	177.2	64.5	0	0	0	0	113.1	N394 N503	N394-C396 PolarHBondContact O-N 2.9Å; N394-C396 PolarHBondContact OD1-N 3.04Å; N394-C396 PolarHBondContact OD1-SG 3.38Å; N394-C396 VanDerWaalsContact OD1-SG 3.38Å; C396-N503 PolarHBondContact O-ND2 2.92Å
397	Y	94.7	Very high	94.6	Very high	50 Å²	50	49.9 Å²	49.9	20%	0.196	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-85.7	-9.4	-178	-61.8	-54	0	0	0	114.1	L388 N394 P395 N399 A400 I401 W505 L507	L388-Y397 HydrophobicContact CB-CD2 3.92Å; L388-Y397 HydrophobicContact CB-CE2 4.43Å; L388-Y397 HydrophobicContact CD2-CD2 4.02Å; L388-Y397 HydrophobicContact CD2-CE2 4.37Å; L388-Y397 HydrophobicContact CD2-CG 4.16Å; L388-Y397 HydrophobicContact CG-CD2 4.48Å; N394-Y397 HydrophobicContact CB-CD2 3.83Å; N394-Y397 HydrophobicContact CB-CE2 3.93Å; N394-Y397 PolarHBondContact O-N 2.81Å; P395-Y397 PolarHBondContact O-N 2.88Å; P395-Y397 VanDerWaalsContact O-N 3.14Å; Y397-N399 VanDerWaalsContact C-N 3.33Å; Y397-N399 PolarHBondContact O-N 3.16Å; Y397-A400 PolarHBondContact O-N 3.31Å; Y397-A400 VanDerWaalsContact O-N 3.15Å; Y397-I401 WeakPolarHBondContact O-CG1 3.43Å; Y397-I401 PolarHBondContact O-N 3.37Å; Y397-W505 HydrophobicContact CE1-CB 3.94Å; Y397-W505 WeakPolarHBondContact CE1-O 3.31Å; Y397-L507 HydrophobicContact CD1-CD2 3.75Å; Y397-L507 HydrophobicContact CG-CD2 3.98Å
398	F	94.8	Very high	94.8	Very high	27 Å²	27	45.7 Å²	45.7	12%	0.118	24%	0.239	C	C	.	.	H	α-helix	trans	-62.8	-40.5	-170	-73.2	9.8	0	0	0	112.4	P393 P395 A400 I401 K402 L466 K467	P393-F398 HydrophobicContact CB-CE1 4.06Å; P395-F398 HydrophobicContact CB-CD2 4.45Å; P395-F398 HydrophobicContact CB-CE2 4.28Å; P395-F398 HydrophobicContact CB-CZ 4.32Å; P395-F398 HydrophobicContact CG-CE2 4.47Å; P395-F398 HydrophobicContact CG-CZ 4.22Å; P395-F398 WeakPolarHBondContact O-CB 3.4Å; P395-F398 PolarHBondContact O-N 2.9Å; P395-F398 VanDerWaalsContact O-N 3.11Å; F398-A400 VanDerWaalsContact C-N 3.34Å; F398-A400 PolarHBondContact O-N 2.91Å; F398-I401 PolarHBondContact O-N 3.1Å; F398-K402 WeakPolarHBondContact O-CB 3.32Å; F398-K402 VanDerWaalsContact O-CG 3.24Å; F398-K402 WeakPolarHBondContact O-CG 3.35Å; F398-K402 PolarHBondContact O-N 3.46Å; F398-L466 HydrophobicContact CB-CD2 3.59Å; F398-L466 HydrophobicContact CD1-CD2 3.67Å; F398-L466 HydrophobicContact CD1-CG 4.15Å; F398-L466 HydrophobicContact CD2-CD2 3.83Å; F398-L466 HydrophobicContact CD2-CG 4.48Å; F398-L466 HydrophobicContact CE1-CD2 4.32Å; F398-L466 HydrophobicContact CE1-CG 4.34Å; F398-L466 HydrophobicContact CE2-CD2 4.43Å; F398-L466 HydrophobicContact CG-CD2 3.41Å; F398-L466 VanDerWaalsContact CG-CD2 3.41Å; F398-L466 HydrophobicContact CG-CG 4.25Å; F398-K467 HydrophobicContact CE2-CB 4.14Å; F398-K467 HydrophobicContact CZ-CB 3.94Å
399	N	95.1	Very high	95	Very high	67 Å²	67	46.1 Å²	46.1	36%	0.358	24%	0.24	S	C	.	.	H	α-helix	trans	-65	-39.7	177.9	-72	-15.4	0	0	0	112	Y397 K402 A403 V501	Y397-N399 VanDerWaalsContact C-N 3.33Å; Y397-N399 PolarHBondContact O-N 3.16Å; N399-K402 PolarHBondContact O-N 3.48Å; N399-K402 VanDerWaalsContact OD1-CE 3.27Å; N399-K402 WeakPolarHBondContact OD1-CE 3.15Å; N399-K402 PolarHBondContact OD1-NZ 2.79Å; N399-A403 WeakPolarHBondContact O-CB 3.43Å; N399-A403 PolarHBondContact O-N 3.32Å; N399-V501 HydrophobicContact CB-CG1 4.28Å; N399-V501 WeakPolarHBondContact CB-O 3.25Å
400	A	95.4	Very high	95.2	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-66.8	-42.5	176.5	0	0	0	0	0	111.4	Y397 F398 K402 A403 V404 V496 L507	Y397-A400 PolarHBondContact O-N 3.31Å; Y397-A400 VanDerWaalsContact O-N 3.15Å; F398-A400 VanDerWaalsContact C-N 3.34Å; F398-A400 PolarHBondContact O-N 2.91Å; A400-K402 VanDerWaalsContact C-N 3.32Å; A400-K402 PolarHBondContact O-N 3.15Å; A400-A403 PolarHBondContact O-N 2.74Å; A400-A403 VanDerWaalsContact O-N 3.16Å; A400-V404 WeakPolarHBondContact O-CG2 3.39Å; A400-V404 PolarHBondContact O-N 3.17Å; A400-V496 HydrophobicContact CB-CG1 4.11Å; A400-L507 HydrophobicContact CB-CD1 3.51Å; A400-L507 HydrophobicContact CB-CD2 4.14Å; A400-L507 HydrophobicContact CB-CG 3.56Å
401	I	95.2	Very high	95.6	Very high	2 Å²	2	39 Å²	39	1%	0.01	20%	0.198	C	C	.	.	H	α-helix	trans	-59.2	-44.4	173.1	-62.8	173	0	0	0	110.7	L388 Y397 F398 A403 V404 F405 I413 L466 L507	L388-I401 HydrophobicContact CD1-CD1 3.53Å; L388-I401 HydrophobicContact CD1-CG1 4.05Å; Y397-I401 WeakPolarHBondContact O-CG1 3.43Å; Y397-I401 PolarHBondContact O-N 3.37Å; F398-I401 PolarHBondContact O-N 3.1Å; I401-A403 VanDerWaalsContact C-N 3.29Å; I401-A403 PolarHBondContact O-N 2.96Å; I401-V404 WeakPolarHBondContact O-CB 3.47Å; I401-V404 PolarHBondContact O-N 3.04Å; I401-F405 HydrophobicContact CG2-CE2 4.23Å; I401-F405 WeakPolarHBondContact O-CD2 3.37Å; I401-I413 HydrophobicContact CG2-CD1 3.93Å; I401-L466 HydrophobicContact CD1-CD1 4.17Å; I401-L466 HydrophobicContact CG2-CD1 3.95Å; I401-L507 HydrophobicContact CG1-CD2 4.44Å
402	K	96.2	Very high	95.9	Very high	34 Å²	34	31.5 Å²	31.5	15%	0.148	16%	0.164	C	C	.	.	H	α-helix	trans	-60.7	-39.3	176.6	-73.2	-177	-63	-171.3	0	112	F398 N399 A400 F405 V427 D429 D430	F398-K402 WeakPolarHBondContact O-CB 3.32Å; F398-K402 VanDerWaalsContact O-CG 3.24Å; F398-K402 WeakPolarHBondContact O-CG 3.35Å; F398-K402 PolarHBondContact O-N 3.46Å; N399-K402 PolarHBondContact O-N 3.48Å; N399-K402 VanDerWaalsContact OD1-CE 3.27Å; N399-K402 WeakPolarHBondContact OD1-CE 3.15Å; N399-K402 PolarHBondContact OD1-NZ 2.79Å; A400-K402 VanDerWaalsContact C-N 3.32Å; A400-K402 PolarHBondContact O-N 3.15Å; K402-F405 PolarHBondContact O-N 3.27Å; K402-V427 HydrophobicContact CD-CG2 4.38Å; K402-V427 HydrophobicContact CG-CG1 4.42Å; K402-V427 HydrophobicContact CG-CG2 3.8Å; K402-D429 WeakPolarHBondContact CD-O 3.29Å; K402-D430 IonicContact NZ-OD1 3.33Å; K402-D430 PolarHBondContact NZ-OD1 3.47Å
403	A	96.8	Very high	96.3	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.008	14%	0.137	C	C	.	.	H	α-helix	trans	-68.6	-33.7	178.3	0	0	0	0	0	112.6	N399 A400 I401 F405 R406 E495 V496 V501	N399-A403 WeakPolarHBondContact O-CB 3.43Å; N399-A403 PolarHBondContact O-N 3.32Å; A400-A403 PolarHBondContact O-N 2.74Å; A400-A403 VanDerWaalsContact O-N 3.16Å; I401-A403 VanDerWaalsContact C-N 3.29Å; I401-A403 PolarHBondContact O-N 2.96Å; A403-F405 VanDerWaalsContact C-N 3.26Å; A403-F405 PolarHBondContact O-N 3.38Å; A403-R406 VanDerWaalsContact O-CB 3.28Å; A403-R406 WeakPolarHBondContact O-CB 3.43Å; A403-R406 PolarHBondContact O-N 3.4Å; A403-E495 VanDerWaalsContact CB-O 3.32Å; A403-E495 WeakPolarHBondContact CB-O 3.25Å; A403-V496 HydrophobicContact CB-CB 4.42Å; A403-V496 HydrophobicContact CB-CG2 3.88Å; A403-V501 HydrophobicContact CB-CG1 4.06Å
404	V	97.6	Very high	96.6	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-54.6	-41.2	175.4	166.7	0	0	0	0	111.9	A400 I401 R406 L407 C410 L475 F477 V496 L507	A400-V404 WeakPolarHBondContact O-CG2 3.39Å; A400-V404 PolarHBondContact O-N 3.17Å; I401-V404 WeakPolarHBondContact O-CB 3.47Å; I401-V404 PolarHBondContact O-N 3.04Å; V404-R406 PolarHBondContact O-N 3.05Å; V404-L407 WeakPolarHBondContact O-CB 3.42Å; V404-L407 PolarHBondContact O-N 2.98Å; V404-L407 VanDerWaalsContact O-N 3.14Å; V404-C410 WeakPolarHBondContact O-CB 3.5Å; V404-L475 HydrophobicContact CG1-CD1 4.5Å; V404-L475 HydrophobicContact CG1-CD2 4.47Å; V404-L475 HydrophobicContact CG2-CD1 3.99Å; V404-F477 HydrophobicContact CG1-CE1 3.92Å; V404-F477 HydrophobicContact CG1-CZ 3.9Å; V404-F477 HydrophobicContact CG2-CZ 4.49Å; V404-V496 HydrophobicContact CG2-CG1 3.87Å; V404-V496 HydrophobicContact CG2-CG2 4.29Å; V404-L507 HydrophobicContact CG2-CD1 4.09Å
405	F	98.1	Very high	96.6	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-7.8	178.7	-73.3	-74.3	0	0	0	114.7	G32 I401 K402 A403 I413 I424 V425 V427	G32-F405 WeakPolarHBondContact CA-O 3.39Å; G32-F405 PolarHBondContact N-O 3.07Å; I401-F405 HydrophobicContact CG2-CE2 4.23Å; I401-F405 WeakPolarHBondContact O-CD2 3.37Å; K402-F405 PolarHBondContact O-N 3.27Å; A403-F405 VanDerWaalsContact C-N 3.26Å; A403-F405 PolarHBondContact O-N 3.38Å; F405-I413 HydrophobicContact CE2-CD1 3.61Å; F405-I413 HydrophobicContact CE2-CG1 4.28Å; F405-I413 HydrophobicContact CZ-CB 4.5Å; F405-I413 HydrophobicContact CZ-CD1 3.64Å; F405-I413 HydrophobicContact CZ-CG1 3.8Å; F405-I424 HydrophobicContact CE1-CG2 4.39Å; F405-I424 HydrophobicContact CE2-CG2 4.2Å; F405-I424 HydrophobicContact CZ-CB 4.13Å; F405-I424 HydrophobicContact CZ-CG2 3.55Å; F405-V425 VanDerWaalsContact CE1-C 3.44Å; F405-V427 HydrophobicContact CB-CG1 3.91Å; F405-V427 HydrophobicContact CD2-CB 4Å; F405-V427 HydrophobicContact CD2-CG1 3.95Å; F405-V427 HydrophobicContact CG-CB 4.47Å; F405-V427 HydrophobicContact CG-CG1 4.17Å
406	R	97.3	Very high	96.3	Very high	106 Å²	106	18.5 Å²	18.5	40%	0.4	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-23.5	173.3	-51.8	-177.6	-177.8	164.4	-0.1	111.7	Y29 A403 V404	Y29-R406 HydrophobicContact CD1-CB 4.3Å; Y29-R406 HydrophobicContact CD1-CG 3.74Å; Y29-R406 HydrophobicContact CE1-CB 4.32Å; Y29-R406 HydrophobicContact CE1-CG 3.69Å; Y29-R406 HydrophobicContact CG-CG 4.2Å; A403-R406 VanDerWaalsContact O-CB 3.28Å; A403-R406 WeakPolarHBondContact O-CB 3.43Å; A403-R406 PolarHBondContact O-N 3.4Å; V404-R406 PolarHBondContact O-N 3.05Å
407	L	98.1	Very high	95.9	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.098	C	C	.	.	S	Bend	trans	-68.4	130.1	-175.3	-60.4	-173.5	0	0	0	111.1	G32 V404 H409 C410 F477 L488 N491 L492 E495 V496	G32-L407 VanDerWaalsContact CA-O 3.23Å; G32-L407 WeakPolarHBondContact CA-O 2.93Å; V404-L407 WeakPolarHBondContact O-CB 3.42Å; V404-L407 PolarHBondContact O-N 2.98Å; V404-L407 VanDerWaalsContact O-N 3.14Å; L407-H409 PolarHBondContact O-N 2.86Å; L407-H409 VanDerWaalsContact O-N 3.11Å; L407-C410 HydrophobicContact CB-CB 4.45Å; L407-C410 VanDerWaalsContact O-CB 3.29Å; L407-C410 WeakPolarHBondContact O-CB 3.4Å; L407-C410 PolarHBondContact O-N 3.27Å; L407-F477 HydrophobicContact CD1-CE1 3.91Å; L407-L488 HydrophobicContact CD1-CD1 4.13Å; L407-N491 HydrophobicContact CD2-CB 3.57Å; L407-L492 HydrophobicContact CD1-CD2 3.64Å; L407-L492 HydrophobicContact CD1-CG 3.98Å; L407-E495 HydrophobicContact CD2-CB 4.39Å; L407-V496 HydrophobicContact CD1-CG2 3.83Å; L407-V496 HydrophobicContact CD2-CG2 4.33Å; L407-V496 HydrophobicContact CG-CG2 4.17Å
408	P	97.7	Very high	95.5	Very high	54 Å²	54	20.8 Å²	20.8	35%	0.351	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-31.9	178.1	-30.3	37.1	0	0	0	114.3	R92 R97 C410	R92-P408 PolarHBondContact NH1-O 3.27Å; R97-P408 VanDerWaalsContact CZ-O 3.22Å; R97-P408 VanDerWaalsContact NH1-C 3.33Å; R97-P408 VanDerWaalsContact NH1-CB 3.32Å; R97-P408 PolarHBondContact NH1-O 3.2Å; R97-P408 PolarHBondContact NH2-O 2.92Å; P408-C410 VanDerWaalsContact C-N 3.32Å
409	H	98.2	Very high	95.1	Very high	16 Å²	16	22.1 Å²	22.1	7%	0.074	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-12.4	-176.6	-50.5	99.3	0	0	0	113.3	L407 V411 F477 L478 E484 L488	L407-H409 PolarHBondContact O-N 2.86Å; L407-H409 VanDerWaalsContact O-N 3.11Å; H409-V411 PolarHBondContact O-N 3.47Å; H409-F477 HydrophobicContact CB-CB 4.37Å; H409-F477 HydrophobicContact CB-CD1 4.43Å; H409-F477 CarbonylContact O-C 3.59Å; H409-F477 VanDerWaalsContact O-CA 3.26Å; H409-F477 WeakPolarHBondContact O-CA 3.09Å; H409-L478 WeakPolarHBondContact CB-O 3.17Å; H409-L478 PolarHBondContact O-N 3.18Å; H409-E484 PolarHBondContact CE1-O 3.39Å; H409-E484 PolarHBondContact NE2-O 3.48Å; H409-L488 HydrophobicContact CB-CB 4.44Å; H409-L488 HydrophobicContact CB-CD1 4.05Å
410	C	98.5	Very high	94.9	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	126.4	-176.8	-177.1	0	0	0	0	111.4	R92 V404 L407 P408 G412 F477	R92-C410 PolarHBondContact NH1-O 2.9Å; V404-C410 WeakPolarHBondContact O-CB 3.5Å; L407-C410 HydrophobicContact CB-CB 4.45Å; L407-C410 VanDerWaalsContact O-CB 3.29Å; L407-C410 WeakPolarHBondContact O-CB 3.4Å; L407-C410 PolarHBondContact O-N 3.27Å; P408-C410 VanDerWaalsContact C-N 3.32Å; C410-G412 PolarHBondContact SG-N 3.43Å; C410-F477 HydrophobicContact CB-CD1 4.49Å; C410-F477 HydrophobicContact CB-CE1 4.47Å
411	V	98.6	Very high	95	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	14.6	170.6	-62.8	0	0	0	0	112.3	L31 I85 E88 L381 H409 W423 G476 L478	L31-V411 VanDerWaalsContact CD2-C 3.48Å; I85-V411 HydrophobicContact CD1-CG2 4.18Å; I85-V411 HydrophobicContact CG1-CB 4.39Å; I85-V411 HydrophobicContact CG1-CG2 3.81Å; E88-V411 HydrophobicContact CG-CB 4.06Å; E88-V411 HydrophobicContact CG-CG1 4.17Å; L381-V411 HydrophobicContact CD1-CG2 3.82Å; H409-V411 PolarHBondContact O-N 3.47Å; V411-W423 WeakPolarHBondContact O-CZ2 3.49Å; V411-W423 PolarHBondContact O-NE1 2.97Å; V411-G476 WeakPolarHBondContact CG2-O 3.39Å; V411-G476 PolarHBondContact N-O 2.95Å; V411-L478 HydrophobicContact CG1-CB 3.73Å
412	G	98.4	Very high	95.1	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	100.1	-169.3	175.2	0	0	0	0	0	113.6	C410 I424 G476	C410-G412 PolarHBondContact SG-N 3.43Å; G412-I424 CarbonylContact C-O 3.4Å; G412-I424 WeakPolarHBondContact CA-O 3.45Å; G412-G476 PolarHBondContact O-N 3.39Å
413	I	98.4	Very high	95.2	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	130.9	-174.9	-54.2	177	0	0	0	109.1	I401 F405 I424 M473 V474 L475	I401-I413 HydrophobicContact CG2-CD1 3.93Å; F405-I413 HydrophobicContact CE2-CD1 3.61Å; F405-I413 HydrophobicContact CE2-CG1 4.28Å; F405-I413 HydrophobicContact CZ-CB 4.5Å; F405-I413 HydrophobicContact CZ-CD1 3.64Å; F405-I413 HydrophobicContact CZ-CG1 3.8Å; I413-I424 HydrophobicContact CB-CB 4.13Å; I413-I424 HydrophobicContact CB-CD1 4.17Å; I413-I424 HydrophobicContact CG2-CD1 4.16Å; I413-I424 PolarHBondContact N-O 2.84Å; I413-I424 PolarHBondContact O-N 3.41Å; I413-M473 HydrophobicContact CG2-CB 3.79Å; I413-M473 HydrophobicContact CG2-CG 4.18Å; I413-M473 HydrophobicContact CG2-SD 4.03Å; I413-V474 CarbonylContact C-O 3.59Å; I413-V474 WeakPolarHBondContact CA-O 3.23Å; I413-L475 HydrophobicContact CB-CD2 4.42Å; I413-L475 HydrophobicContact CD1-CD2 3.46Å; I413-L475 VanDerWaalsContact CD1-CD2 3.46Å; I413-L475 HydrophobicContact CG1-CD2 3.57Å; I413-L475 HydrophobicContact CG2-CD2 4.09Å
414	L	98.2	Very high	95.3	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	124.2	165.4	-59.4	178	0	0	0	108.6	M78 C81 I85 P147 V150 M473 V474	M78-L414 HydrophobicContact SD-CB 4.3Å; C81-L414 VanDerWaalsContact C-CD2 3.5Å; C81-L414 HydrophobicContact CB-CD2 3.74Å; C81-L414 WeakPolarHBondContact O-CD2 3.41Å; I85-L414 HydrophobicContact CB-CD2 4Å; I85-L414 HydrophobicContact CD1-CD2 4.23Å; I85-L414 HydrophobicContact CD1-CG 4.01Å; I85-L414 HydrophobicContact CG2-CD1 4.1Å; I85-L414 HydrophobicContact CG2-CD2 3.7Å; I85-L414 HydrophobicContact CG2-CG 4.1Å; P147-L414 HydrophobicContact CB-CB 4.24Å; V150-L414 HydrophobicContact CG1-CD1 3.79Å; L414-M473 CarbonylContact O-C 3.57Å; L414-M473 VanDerWaalsContact O-CA 3.23Å; L414-M473 WeakPolarHBondContact O-CA 3.49Å; L414-V474 HydrophobicContact CB-CB 4.2Å; L414-V474 HydrophobicContact CD1-CB 4.4Å; L414-V474 HydrophobicContact CD1-CG1 4.47Å; L414-V474 PolarHBondContact N-O 3.48Å; L414-V474 PolarHBondContact O-N 2.91Å
415	G	94	Very high	95.3	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	-165.2	179.9	0	0	0	0	0	113	A421 V422	G415-A421 CarbonylContact O-C 3.53Å; G415-A421 VanDerWaalsContact O-CA 3.3Å; G415-A421 WeakPolarHBondContact O-CA 3.07Å; G415-V422 PolarHBondContact N-O 3.35Å; G415-V422 PolarHBondContact O-N 3.24Å
416	G	87.5	Confident	95.3	Very high	6 Å²	6	23.3 Å²	23.3	6%	0.062	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	99	162.1	-176.6	0	0	0	0	0	112.7	H420 D470	G416-H420 WeakPolarHBondContact CA-O 3.37Å; G416-D470 WeakPolarHBondContact O-CB 3.42Å
417	S	85.8	Confident	95.3	Very high	49 Å²	49	18.5 Å²	18.5	34%	0.343	11%	0.11	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	166.7	-179.3	52.7	0	0	0	0	111.1	C419 H420 A421	S417-C419 PolarHBondContact O-N 2.93Å; S417-H420 CarbonylContact O-C 3.5Å; S417-H420 VanDerWaalsContact O-C 3.32Å; S417-H420 WeakPolarHBondContact O-CA 3.33Å; S417-H420 PolarHBondContact O-N 2.69Å; S417-A421 PolarHBondContact O-N 2.89Å
418	P	85.4	Confident	95.2	Very high	75 Å²	75	18.6 Å²	18.6	49%	0.487	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.5	131.3	173.6	-29.7	36.9	0	0	0	112	W144 H420	W144-P418 HydrophobicContact CD2-CB 4.28Å; W144-P418 HydrophobicContact CE3-CB 4.33Å; W144-P418 HydrophobicContact CE3-CG 4.5Å; W144-P418 HydrophobicContact CH2-CG 4.28Å; W144-P418 HydrophobicContact CZ3-CG 4.22Å; P418-H420 PolarHBondContact O-N 2.77Å; P418-H420 VanDerWaalsContact O-N 3.13Å
419	C	86.3	Confident	94.9	Very high	55 Å²	55	19.7 Å²	19.7	37%	0.372	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.9	4.8	-175.2	-53.7	0	0	0	0	116.5	W144 S417 H438	W144-C419 VanDerWaalsContact CD1-N 3.3Å; S417-C419 PolarHBondContact O-N 2.93Å; C419-H438 PolarHBondContact O-NE2 3.5Å
420	H	92.1	Very high	94.7	Very high	122 Å²	122	23.2 Å²	23.2	57%	0.565	13%	0.134	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-132	42.8	176	-66.6	-75.3	0	0	0	111.5	G416 S417 P418 H438	G416-H420 WeakPolarHBondContact CA-O 3.37Å; S417-H420 CarbonylContact O-C 3.5Å; S417-H420 VanDerWaalsContact O-C 3.32Å; S417-H420 WeakPolarHBondContact O-CA 3.33Å; S417-H420 PolarHBondContact O-N 2.69Å; P418-H420 PolarHBondContact O-N 2.77Å; P418-H420 VanDerWaalsContact O-N 3.13Å; H420-H438 WeakPolarHBondContact CA-NE2 3.47Å
421	A	96.8	Very high	94.5	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	141	179.4	0	0	0	0	0	111.6	C77 M78 G415 S417 P437 H438	C77-A421 HydrophobicContact CB-CB 3.94Å; M78-A421 HydrophobicContact CB-CB 3.97Å; M78-A421 HydrophobicContact CE-CB 3.56Å; M78-A421 HydrophobicContact SD-CB 4.24Å; G415-A421 CarbonylContact O-C 3.53Å; G415-A421 VanDerWaalsContact O-CA 3.3Å; G415-A421 WeakPolarHBondContact O-CA 3.07Å; S417-A421 PolarHBondContact O-N 2.89Å; A421-P437 VanDerWaalsContact O-CD 3.28Å; A421-P437 WeakPolarHBondContact O-CD 3.42Å; A421-P437 WeakPolarHBondContact O-CG 3.28Å; A421-H438 PolarHBondContact O-CE1 3.33Å
422	V	97.6	Very high	94.5	Very high	6 Å²	6	25.5 Å²	25.5	4%	0.036	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	151.1	178.3	-65.5	0	0	0	0	110.5	C81 G415 I424 C434 I462	C81-V422 VanDerWaalsContact SG-CA 3.55Å; G415-V422 PolarHBondContact N-O 3.35Å; G415-V422 PolarHBondContact O-N 3.24Å; V422-I424 HydrophobicContact CG2-CG1 4.12Å; V422-C434 HydrophobicContact CB-CB 3.98Å; V422-C434 HydrophobicContact CG2-CB 4.2Å; V422-I462 HydrophobicContact CG1-CD1 4.32Å
423	W	98.5	Very high	94.4	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	113.1	168.1	177.3	40.7	0	0	0	109	L31 R51 C81 M84 E88 V411 V425 C434 L435	L31-W423 HydrophobicContact CD1-CH2 4.38Å; L31-W423 HydrophobicContact CD1-CZ2 4.28Å; L31-W423 HydrophobicContact CD2-CZ2 4.37Å; R51-W423 HydrophobicContact CB-CH2 4.13Å; R51-W423 HydrophobicContact CB-CZ3 3.99Å; R51-W423 HydrophobicContact CG-CH2 4.35Å; C81-W423 HydrophobicContact CB-CB 4.47Å; M84-W423 HydrophobicContact CB-CB 4.47Å; M84-W423 HydrophobicContact CB-CD2 3.87Å; M84-W423 HydrophobicContact CB-CE3 3.45Å; M84-W423 VanDerWaalsContact CB-CE3 3.45Å; M84-W423 HydrophobicContact CB-CG 4.33Å; M84-W423 HydrophobicContact CB-CZ3 3.93Å; M84-W423 HydrophobicContact CE-CB 3.72Å; M84-W423 HydrophobicContact CG-CE3 4.21Å; M84-W423 HydrophobicContact SD-CB 4.5Å; M84-W423 HydrophobicContact SD-CE3 3.94Å; E88-W423 HydrophobicContact CB-CH2 3.67Å; E88-W423 HydrophobicContact CB-CZ2 3.66Å; E88-W423 HydrophobicContact CG-CH2 4.07Å; E88-W423 HydrophobicContact CG-CZ2 3.91Å; V411-W423 WeakPolarHBondContact O-CZ2 3.49Å; V411-W423 PolarHBondContact O-NE1 2.97Å; W423-V425 HydrophobicContact CD2-CG1 3.41Å; W423-V425 VanDerWaalsContact CD2-CG1 3.41Å; W423-V425 HydrophobicContact CE3-CG1 3.5Å; W423-V425 VanDerWaalsContact CE3-CG1 3.5Å; W423-V425 HydrophobicContact CG-CG1 4.06Å; W423-V425 HydrophobicContact CH2-CG1 3.8Å; W423-V425 HydrophobicContact CZ2-CG1 3.71Å; W423-V425 HydrophobicContact CZ3-CG1 3.71Å; W423-C434 CarbonylContact O-C 3.56Å; W423-C434 VanDerWaalsContact O-CA 3.23Å; W423-C434 WeakPolarHBondContact O-CA 3.49Å; W423-L435 HydrophobicContact CE3-CB 4.15Å; W423-L435 HydrophobicContact CE3-CD1 3.73Å; W423-L435 HydrophobicContact CE3-CG 4.11Å; W423-L435 HydrophobicContact CZ3-CD1 3.63Å; W423-L435 HydrophobicContact CZ3-CG 4.41Å; W423-L435 PolarHBondContact N-O 2.74Å; W423-L435 PolarHBondContact O-N 3.1Å
424	I	98.3	Very high	94.4	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.005	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	116.8	-177.8	-46.8	169.2	0	0	0	107.9	F405 G412 I413 V422 V432 L469	F405-I424 HydrophobicContact CE1-CG2 4.39Å; F405-I424 HydrophobicContact CE2-CG2 4.2Å; F405-I424 HydrophobicContact CZ-CB 4.13Å; F405-I424 HydrophobicContact CZ-CG2 3.55Å; G412-I424 CarbonylContact C-O 3.4Å; G412-I424 WeakPolarHBondContact CA-O 3.45Å; I413-I424 HydrophobicContact CB-CB 4.13Å; I413-I424 HydrophobicContact CB-CD1 4.17Å; I413-I424 HydrophobicContact CG2-CD1 4.16Å; I413-I424 PolarHBondContact N-O 2.84Å; I413-I424 PolarHBondContact O-N 3.41Å; V422-I424 HydrophobicContact CG2-CG1 4.12Å; I424-V432 HydrophobicContact CG2-CB 3.59Å; I424-V432 HydrophobicContact CG2-CG1 3.98Å; I424-V432 HydrophobicContact CG2-CG2 4.05Å; I424-L469 HydrophobicContact CD1-CD1 3.61Å; I424-L469 HydrophobicContact CD1-CD2 4.22Å
425	V	98.4	Very high	94.4	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	-17.3	-171.6	-65.8	0	0	0	0	113.1	L31 L48 F405 W423 I433 L435	L31-V425 HydrophobicContact CD1-CB 4.49Å; L31-V425 HydrophobicContact CD2-CB 4.02Å; L31-V425 HydrophobicContact CD2-CG1 4.32Å; L31-V425 VanDerWaalsContact CD2-O 3.27Å; L31-V425 WeakPolarHBondContact CD2-O 3.19Å; L31-V425 HydrophobicContact CG-CB 4.16Å; L31-V425 VanDerWaalsContact CG-O 3.26Å; L31-V425 WeakPolarHBondContact CG-O 3.49Å; L31-V425 PolarHBondContact N-O 3.44Å; L48-V425 HydrophobicContact CD2-CB 4.46Å; L48-V425 HydrophobicContact CD2-CG2 3.55Å; F405-V425 VanDerWaalsContact CE1-C 3.44Å; W423-V425 HydrophobicContact CD2-CG1 3.41Å; W423-V425 VanDerWaalsContact CD2-CG1 3.41Å; W423-V425 HydrophobicContact CE3-CG1 3.5Å; W423-V425 VanDerWaalsContact CE3-CG1 3.5Å; W423-V425 HydrophobicContact CG-CG1 4.06Å; W423-V425 HydrophobicContact CH2-CG1 3.8Å; W423-V425 HydrophobicContact CZ2-CG1 3.71Å; W423-V425 HydrophobicContact CZ3-CG1 3.71Å; V425-I433 HydrophobicContact CG2-CG2 4.1Å; V425-I433 WeakPolarHBondContact CG2-O 3.5Å; V425-I433 PolarHBondContact N-O 2.65Å; V425-L435 HydrophobicContact CG1-CG 4.21Å; V425-L435 HydrophobicContact CG2-CG 4.47Å
426	G	98.1	Very high	94.5	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.6	-178.6	-179.7	0	0	0	0	0	114.4	Y29 V432 I433	Y29-G426 CarbonylContact O-C 3.6Å; Y29-G426 WeakPolarHBondContact O-CA 3.41Å; G426-V432 WeakPolarHBondContact O-CA 3.48Å; G426-I433 PolarHBondContact N-O 2.93Å; G426-I433 PolarHBondContact O-N 2.87Å
427	V	97.6	Very high	95	Very high	4 Å²	4	27.3 Å²	27.3	2%	0.024	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	145.1	-177.6	72.4	0	0	0	0	111.1	Y29 K402 F405 D431 V432	Y29-V427 HydrophobicContact CD2-CG1 4.49Å; Y29-V427 PolarHBondContact N-O 2.91Å; Y29-V427 PolarHBondContact O-N 3.35Å; K402-V427 HydrophobicContact CD-CG2 4.38Å; K402-V427 HydrophobicContact CG-CG1 4.42Å; K402-V427 HydrophobicContact CG-CG2 3.8Å; F405-V427 HydrophobicContact CB-CG1 3.91Å; F405-V427 HydrophobicContact CD2-CB 4Å; F405-V427 HydrophobicContact CD2-CG1 3.95Å; F405-V427 HydrophobicContact CG-CB 4.47Å; F405-V427 HydrophobicContact CG-CG1 4.17Å; V427-D431 WeakPolarHBondContact CA-O 3.25Å; V427-D431 VanDerWaalsContact CG2-O 3.26Å; V427-D431 WeakPolarHBondContact CG2-O 3.47Å; V427-V432 HydrophobicContact CG2-CG1 4.23Å
428	T	96.1	Very high	95.6	Very high	3 Å²	3	27.5 Å²	27.5	2%	0.018	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	121.1	173.9	178.4	0	0	0	0	108	P22 D430 D431 I433	P22-T428 HydrophobicContact CG-CG2 4.19Å; P22-T428 WeakPolarHBondContact CG-OG1 3.47Å; T428-D430 PolarHBondContact O-N 2.82Å; T428-D430 VanDerWaalsContact O-N 3.11Å; T428-D431 HydrophobicContact CG2-CB 4.35Å; T428-D431 PolarHBondContact N-O 2.85Å; T428-D431 PolarHBondContact O-N 3.39Å; T428-I433 HydrophobicContact CG2-CD1 4.29Å; T428-I433 HydrophobicContact CG2-CG1 4.39Å
429	D	91	Very high	96.1	Very high	76 Å²	76	27.4 Å²	27.4	41%	0.406	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.1	-112.5	-167.9	-58.5	-29.9	0	0	0	113.4	K26 K402	K26-D429 WeakPolarHBondContact CD-OD2 3.28Å; K26-D429 WeakPolarHBondContact CE-OD2 3.4Å; K26-D429 IonicContact NZ-OD2 3.67Å; K26-D429 PolarHBondContact NZ-OD2 2.9Å; K402-D429 WeakPolarHBondContact CD-O 3.29Å
430	D	92.5	Very high	96.7	Very high	91 Å²	91	27.5 Å²	27.5	49%	0.487	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.4	10.2	-180	-64.6	-36.2	0	0	0	112.4	K402 T428 L466	K402-D430 IonicContact NZ-OD1 3.33Å; K402-D430 PolarHBondContact NZ-OD1 3.47Å; T428-D430 PolarHBondContact O-N 2.82Å; T428-D430 VanDerWaalsContact O-N 3.11Å; D430-L466 WeakPolarHBondContact O-CB 3.33Å; D430-L466 PolarHBondContact O-N 2.79Å
431	D	96	Very high	96.9	Very high	47 Å²	47	23.1 Å²	23.1	25%	0.251	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	142.7	175.2	-68.6	-20.1	0	0	0	110.4	V427 T428 R463 I464 P465	V427-D431 WeakPolarHBondContact CA-O 3.25Å; V427-D431 VanDerWaalsContact CG2-O 3.26Å; V427-D431 WeakPolarHBondContact CG2-O 3.47Å; T428-D431 HydrophobicContact CG2-CB 4.35Å; T428-D431 PolarHBondContact N-O 2.85Å; T428-D431 PolarHBondContact O-N 3.39Å; D431-R463 HydrophobicContact CB-CG 3.5Å; D431-R463 VanDerWaalsContact CB-CG 3.5Å; D431-R463 VanDerWaalsContact OD2-CD 3.26Å; D431-R463 WeakPolarHBondContact OD2-CD 3.26Å; D431-R463 IonicContact OD2-NE 3.37Å; D431-R463 PolarHBondContact OD2-NE 3.11Å; D431-I464 CarbonylContact C-O 3.47Å; D431-I464 WeakPolarHBondContact CA-O 3.25Å; D431-P465 WeakPolarHBondContact OD1-CA 3.46Å
432	V	96.9	Very high	96.8	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.006	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	149.6	172.8	-62.9	0	0	0	0	111.4	I424 G426 V427 R463 I464 L466 L469	I424-V432 HydrophobicContact CG2-CB 3.59Å; I424-V432 HydrophobicContact CG2-CG1 3.98Å; I424-V432 HydrophobicContact CG2-CG2 4.05Å; G426-V432 WeakPolarHBondContact O-CA 3.48Å; V427-V432 HydrophobicContact CG2-CG1 4.23Å; V432-R463 CarbonylContact O-C 3.59Å; V432-R463 VanDerWaalsContact O-CA 3.31Å; V432-R463 WeakPolarHBondContact O-CA 3.28Å; V432-I464 HydrophobicContact CG2-CB 4.16Å; V432-I464 VanDerWaalsContact CG2-O 3.25Å; V432-I464 WeakPolarHBondContact CG2-O 3.44Å; V432-I464 PolarHBondContact N-O 3.18Å; V432-I464 PolarHBondContact O-N 3.35Å; V432-L466 HydrophobicContact CG1-CB 4.32Å; V432-L466 HydrophobicContact CG1-CD1 3.45Å; V432-L466 VanDerWaalsContact CG1-CD1 3.45Å; V432-L466 HydrophobicContact CG1-CG 4.47Å; V432-L469 HydrophobicContact CG1-CD1 4.2Å; V432-L469 HydrophobicContact CG2-CD1 3.91Å; V432-L469 HydrophobicContact CG2-CD2 4.07Å; V432-L469 HydrophobicContact CG2-CG 4.29Å
433	I	97.8	Very high	96.5	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	128.1	173.9	-60.7	167.9	0	0	0	107.7	Y20 L21 V28 I30 L48 V425 G426 T428 P461 I462	Y20-I433 HydrophobicContact CD2-CG2 4.47Å; L21-I433 HydrophobicContact CD2-CD1 4.25Å; V28-I433 HydrophobicContact CG1-CD1 3.66Å; I30-I433 HydrophobicContact CD1-CB 4.49Å; I30-I433 HydrophobicContact CD1-CD1 3.66Å; L48-I433 HydrophobicContact CD1-CG2 4.12Å; L48-I433 HydrophobicContact CD2-CG2 4.29Å; V425-I433 HydrophobicContact CG2-CG2 4.1Å; V425-I433 WeakPolarHBondContact CG2-O 3.5Å; V425-I433 PolarHBondContact N-O 2.65Å; G426-I433 PolarHBondContact N-O 2.93Å; G426-I433 PolarHBondContact O-N 2.87Å; T428-I433 HydrophobicContact CG2-CD1 4.29Å; T428-I433 HydrophobicContact CG2-CG1 4.39Å; I433-P461 HydrophobicContact CG2-CB 3.99Å; I433-I462 WeakPolarHBondContact CA-O 3.09Å
434	C	97.8	Very high	95.7	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	150.1	-174	-50.4	0	0	0	0	112.3	V422 W423 I462	V422-C434 HydrophobicContact CB-CB 3.98Å; V422-C434 HydrophobicContact CG2-CB 4.2Å; W423-C434 CarbonylContact O-C 3.56Å; W423-C434 VanDerWaalsContact O-CA 3.23Å; W423-C434 WeakPolarHBondContact O-CA 3.49Å; C434-I462 HydrophobicContact CB-CD1 4.35Å; C434-I462 HydrophobicContact CB-CG1 3.82Å; C434-I462 PolarHBondContact N-O 3.45Å; C434-I462 PolarHBondContact O-N 3.19Å
435	L	97.9	Very high	94.4	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	126.3	160.8	-60	-167.3	0	0	0	109.5	R51 M84 W423 V425 C458 P461	R51-L435 HydrophobicContact CB-CD1 4.08Å; M84-L435 HydrophobicContact CE-CB 4.49Å; M84-L435 HydrophobicContact SD-CB 4.01Å; M84-L435 HydrophobicContact SD-CD1 4.48Å; W423-L435 HydrophobicContact CE3-CB 4.15Å; W423-L435 HydrophobicContact CE3-CD1 3.73Å; W423-L435 HydrophobicContact CE3-CG 4.11Å; W423-L435 HydrophobicContact CZ3-CD1 3.63Å; W423-L435 HydrophobicContact CZ3-CG 4.41Å; W423-L435 PolarHBondContact N-O 2.74Å; W423-L435 PolarHBondContact O-N 3.1Å; V425-L435 HydrophobicContact CG1-CG 4.21Å; V425-L435 HydrophobicContact CG2-CG 4.47Å; L435-C458 HydrophobicContact CD2-CB 3.95Å; L435-P461 HydrophobicContact CD2-CB 4.09Å; L435-P461 HydrophobicContact CD2-CG 3.94Å
436	D	97.1	Very high	93.1	Very high	43 Å²	43	41.8 Å²	41.8	23%	0.23	23%	0.229	C	C	.	.			trans	-103	119.7	-170.7	-172.5	-27.6	0	0	0	110.9	W53 H438 I462	W53-D436 WeakPolarHBondContact CZ2-O 3.32Å; W53-D436 PolarHBondContact NE1-O 2.74Å; D436-H438 VanDerWaalsContact C-N 3.34Å; D436-H438 PolarHBondContact O-N 3.44Å; D436-H438 VanDerWaalsContact OD1-CB 3.28Å; D436-H438 WeakPolarHBondContact OD1-CB 3.49Å; D436-H438 IonicContact OD1-CE1 3.36Å; D436-H438 IonicContact OD1-CG 2.89Å; D436-H438 VanDerWaalsContact OD1-CG 3.28Å; D436-H438 PolarHBondContact OD1-N 3.16Å; D436-H438 IonicContact OD1-ND1 2.84Å; D436-H438 PolarHBondContact OD1-ND1 3.15Å; D436-H438 IonicContact OD2-ND1 3.86Å; D436-I462 HydrophobicContact CB-CD1 3.79Å; D436-I462 HydrophobicContact CB-CG1 4.23Å; D436-I462 HydrophobicContact CB-CG2 4.38Å; D436-I462 WeakPolarHBondContact OD2-CD1 3.49Å
437	P	97.8	Very high	91.7	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.264	C	S	.	.			trans	-80.5	-3.8	179.9	34.9	-37.9	0	0	0	114.8	M54 T55 Y56 C77 R80 M84 A421 T439	M54-P437 WeakPolarHBondContact O-CB 3.32Å; T55-P437 CarbonylContact C-O 3.32Å; T55-P437 VanDerWaalsContact CA-O 3.32Å; T55-P437 WeakPolarHBondContact CA-O 3.48Å; T55-P437 WeakPolarHBondContact CB-O 3.41Å; Y56-P437 PolarHBondContact N-O 2.94Å; C77-P437 HydrophobicContact CB-CG 3.79Å; R80-P437 HydrophobicContact CB-CB 3.62Å; R80-P437 HydrophobicContact CB-CG 4.45Å; R80-P437 HydrophobicContact CG-CB 4.21Å; M84-P437 HydrophobicContact CE-CB 4.36Å; A421-P437 VanDerWaalsContact O-CD 3.28Å; A421-P437 WeakPolarHBondContact O-CD 3.42Å; A421-P437 WeakPolarHBondContact O-CG 3.28Å; P437-T439 PolarHBondContact O-N 3.26Å
438	H	97.2	Very high	90.5	Very high	53 Å²	53	49.2 Å²	49.2	25%	0.245	27%	0.269	C	S	.	.			trans	-76.5	15.5	-166.5	-60	92.9	0	0	0	115.6	Y56 C77 C419 H420 A421 D436	Y56-H438 HydrophobicContact CE2-CB 4.12Å; Y56-H438 AromaticContact CE2-CD2 3.62Å; Y56-H438 AromaticContact CZ-CD2 3.75Å; Y56-H438 PolarHBondContact OH-CD2 3.44Å; C77-H438 VanDerWaalsContact CB-NE2 3.34Å; C77-H438 WeakPolarHBondContact CB-NE2 3.35Å; C419-H438 PolarHBondContact O-NE2 3.5Å; H420-H438 WeakPolarHBondContact CA-NE2 3.47Å; A421-H438 PolarHBondContact O-CE1 3.33Å; D436-H438 VanDerWaalsContact C-N 3.34Å; D436-H438 PolarHBondContact O-N 3.44Å; D436-H438 VanDerWaalsContact OD1-CB 3.28Å; D436-H438 WeakPolarHBondContact OD1-CB 3.49Å; D436-H438 IonicContact OD1-CE1 3.36Å; D436-H438 IonicContact OD1-CG 2.89Å; D436-H438 VanDerWaalsContact OD1-CG 3.28Å; D436-H438 PolarHBondContact OD1-N 3.16Å; D436-H438 IonicContact OD1-ND1 2.84Å; D436-H438 PolarHBondContact OD1-ND1 3.15Å; D436-H438 IonicContact OD2-ND1 3.86Å
439	T	96.7	Very high	89.1	Confident	73 Å²	73	56.1 Å²	56.1	45%	0.448	30%	0.299	S	S	.	.			trans	-96.7	125.1	172.2	-62.3	0	0	0	0	110.6	T55 Y56 P437 Q441	T55-T439 WeakPolarHBondContact CB-O 3.3Å; T55-T439 PolarHBondContact OG1-O 2.87Å; Y56-T439 PolarHBondContact N-O 2.94Å; P437-T439 PolarHBondContact O-N 3.26Å; T439-Q441 HydrophobicContact CG2-CG 4.16Å; T439-Q441 PolarHBondContact O-N 2.95Å
440	T	97.8	Very high	87.9	Confident	58 Å²	58	56 Å²	56	36%	0.356	30%	0.302	S	S	.	.			trans	-89.7	109.9	179.4	-55	0	0	0	0	111.8	Y56 K58 A73	Y56-T440 CarbonylContact O-C 3.54Å; Y56-T440 WeakPolarHBondContact O-CA 3.44Å; K58-T440 HydrophobicContact CB-CG2 3.91Å; K58-T440 HydrophobicContact CD-CG2 3.86Å; K58-T440 HydrophobicContact CG-CG2 3.91Å; A73-T440 HydrophobicContact CB-CG2 4.32Å; A73-T440 WeakPolarHBondContact CB-OG1 3.49Å
441	Q	96.1	Very high	86.8	Confident	29 Å²	29	57.5 Å²	57.5	14%	0.136	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	158.1	179.3	-58.3	-170.3	82.4	0	0	111.5	T55 Y56 R57 K58 T439 T455	T55-Q441 WeakPolarHBondContact OG1-CG 3.45Å; T55-Q441 PolarHBondContact OG1-NE2 2.99Å; Y56-Q441 PolarHBondContact O-N 3.24Å; R57-Q441 CarbonylContact C-O 3.58Å; R57-Q441 WeakPolarHBondContact CA-O 3.02Å; K58-Q441 PolarHBondContact N-O 3.1Å; T439-Q441 HydrophobicContact CG2-CG 4.16Å; T439-Q441 PolarHBondContact O-N 2.95Å; Q441-T455 PolarHBondContact NE2-O 2.99Å; Q441-T455 VanDerWaalsContact OE1-CB 3.29Å
442	P	94.9	Very high	86	Confident	86 Å²	86	57.2 Å²	57.2	56%	0.558	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65	142.3	171.2	-20.1	33.3	0	0	0	111.9	R57	R57-P442 WeakPolarHBondContact CD-O 3.03Å; R57-P442 PolarHBondContact NH1-O 2.9Å
443	A	92.7	Very high	85.6	Confident	16 Å²	16	57.2 Å²	57.2	13%	0.132	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-71.5	139.3	168.5	0	0	0	0	0	110.9	R57 K58 F60 D119	R57-A443 HydrophobicContact CB-CB 4.45Å; K58-A443 PolarHBondContact O-N 2.76Å; F60-A443 HydrophobicContact CB-CB 3.77Å; F60-A443 HydrophobicContact CD1-CB 4.3Å; D119-A443 HydrophobicContact CB-CB 4.29Å
444	G	80.2	Confident	85.3	Confident	17 Å²	17	62 Å²	62	18%	0.175	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-67.7	132.8	-178.8	0	0	0	0	0	114.3	R120 Y452	R120-G444 PolarHBondContact NH2-O 3.35Å; G444-Y452 VanDerWaalsContact CA-OH 3.28Å; G444-Y452 WeakPolarHBondContact CA-OH 3.45Å; G444-Y452 PolarHBondContact N-OH 2.96Å
445	R	71.8	Confident	85.1	Confident	238 Å²	238	63.7 Å²	63.7	90%	0.898	34%	0.338	S	S	*	.	P	Polyproline II helix	trans	-98.4	131.9	171.9	-61.9	-173.9	179.8	-167.9	0.7	109.9
446	G	70.8	Confident	85	Confident	43 Å²	43	63.8 Å²	63.8	44%	0.443	34%	0.338	S	S	.	.	S	Bend	trans	74.7	-164.1	177.9	0	0	0	0	0	116	R120	R120-G446 PolarHBondContact NH1-O 3.49Å; R120-G446 PolarHBondContact NH2-O 2.96Å
447	N	70	Confident	84.9	Confident	138 Å²	138	62 Å²	62	74%	0.738	33%	0.329	S	S	*	.	S	Bend	trans	-64.1	152.3	178.1	-66	-20.4	0	0	0	110.7	K449	N447-K449 PolarHBondContact O-N 3.06Å
448	L	71.1	Confident	84.8	Confident	22 Å²	22	62.2 Å²	62.2	12%	0.115	33%	0.33	C	S	.	.			trans	-57.6	113.1	173.7	-65.5	168.5	0	0	0	108	Y111 L114 Q115 Q118 Y452	Y111-L448 HydrophobicContact CD1-CB 4.11Å; Y111-L448 HydrophobicContact CD1-CD1 3.96Å; Y111-L448 HydrophobicContact CE1-CB 4.44Å; L114-L448 HydrophobicContact CB-CD1 3.72Å; L114-L448 HydrophobicContact CD2-CD1 3.83Å; L114-L448 HydrophobicContact CD2-CD2 3.83Å; L114-L448 HydrophobicContact CD2-CG 4.42Å; L114-L448 HydrophobicContact CG-CD1 3.68Å; L114-L448 HydrophobicContact CG-CD2 3.92Å; L114-L448 HydrophobicContact CG-CG 4.49Å; Q115-L448 HydrophobicContact CG-CD1 3.62Å; Q115-L448 HydrophobicContact CG-CG 4.36Å; Q118-L448 HydrophobicContact CG-CD2 4.11Å; Q118-L448 VanDerWaalsContact NE2-CG 3.26Å; L448-Y452 HydrophobicContact CD2-CD1 3.36Å; L448-Y452 HydrophobicContact CD2-CE1 3.52Å
449	K	66.8	Low	84.6	Confident	148 Å²	148	64.8 Å²	64.8	64%	0.643	35%	0.346	S	S	*	.			trans	-88.1	151.6	165.6	-65.7	-174.3	178.1	-174.5	0	108	N447 D451 Y452	N447-K449 PolarHBondContact O-N 3.06Å; K449-D451 PolarHBondContact O-N 3.23Å; K449-Y452 VanDerWaalsContact O-CB 3.29Å; K449-Y452 WeakPolarHBondContact O-CB 3.03Å; K449-Y452 PolarHBondContact O-N 2.96Å
450	P	65.4	Low	84.4	Confident	74 Å²	74	66.6 Å²	66.6	48%	0.481	35%	0.353	S	S	.	.	H	α-helix	trans	-49.4	-44.8	176.3	-29.1	35.8	0	0	0	112.6	Y452 D453	P450-Y452 PolarHBondContact O-N 3.31Å; P450-D453 PolarHBondContact O-N 3Å; P450-D453 VanDerWaalsContact O-N 3.14Å
451	D	70.6	Confident	84.3	Confident	122 Å²	122	64.1 Å²	64.1	65%	0.652	34%	0.338	S	S	*	.	H	α-helix	trans	-60.6	-22.1	178.2	-54.4	-25.3	0	0	0	114.6	K449	K449-D451 PolarHBondContact O-N 3.23Å
452	Y	77.7	Confident	84.3	Confident	40 Å²	40	65.1 Å²	65.1	16%	0.157	34%	0.344	C	S	.	.	H	α-helix	trans	-81.5	-29	-178	-179.1	-102.1	0	0	0	112.3	R57 G444 L448 K449 P450 Q454 T455 Y456	R57-Y452 PolarHBondContact NH1-OH 3.22Å; G444-Y452 VanDerWaalsContact CA-OH 3.28Å; G444-Y452 WeakPolarHBondContact CA-OH 3.45Å; G444-Y452 PolarHBondContact N-OH 2.96Å; L448-Y452 HydrophobicContact CD2-CD1 3.36Å; L448-Y452 HydrophobicContact CD2-CE1 3.52Å; K449-Y452 VanDerWaalsContact O-CB 3.29Å; K449-Y452 WeakPolarHBondContact O-CB 3.03Å; K449-Y452 PolarHBondContact O-N 2.96Å; P450-Y452 PolarHBondContact O-N 3.31Å; Y452-Q454 VanDerWaalsContact C-N 3.29Å; Y452-Q454 PolarHBondContact O-N 2.82Å; Y452-T455 PolarHBondContact O-N 3.44Å; Y452-T455 PolarHBondContact O-OG1 2.96Å; Y452-Y456 AromaticContact CD1-CE2 3.91Å; Y452-Y456 HydrophobicContact CD1-CE2 3.91Å; Y452-Y456 HydrophobicContact CE1-CD2 4.42Å; Y452-Y456 AromaticContact CE1-CE2 3.31Å; Y452-Y456 HydrophobicContact CE1-CE2 3.31Å; Y452-Y456 AromaticContact CE1-CZ 3.89Å; Y452-Y456 AromaticContact CZ-CE2 3.67Å; Y452-Y456 PolarHBondContact OH-OH 3.04Å
453	D	90.1	Very high	84.3	Confident	1 Å²	1	65.6 Å²	65.6	1%	0.005	33%	0.334	C	S	.	.	H	α-helix	trans	-70.4	-26.6	-177.5	71.8	21.9	0	0	0	112.7	Y110 Y111 L114 P450 T455 Y456 H457	Y110-D453 HydrophobicContact CE1-CB 4.38Å; Y110-D453 WeakPolarHBondContact OH-CB 3.43Å; Y111-D453 HydrophobicContact CE1-CB 4.48Å; Y111-D453 WeakPolarHBondContact CE1-OD2 3.19Å; Y111-D453 PolarHBondContact OH-OD2 2.94Å; L114-D453 HydrophobicContact CD2-CB 3.68Å; P450-D453 PolarHBondContact O-N 3Å; P450-D453 VanDerWaalsContact O-N 3.14Å; D453-T455 PolarHBondContact O-N 2.89Å; D453-Y456 WeakPolarHBondContact O-CA 3.28Å; D453-Y456 VanDerWaalsContact O-CB 3.32Å; D453-Y456 WeakPolarHBondContact O-CB 3.29Å; D453-Y456 PolarHBondContact O-N 3.31Å; D453-H457 PolarHBondContact O-CD2 2.76Å; D453-H457 VanDerWaalsContact O-CD2 3.28Å
454	Q	90.8	Very high	84.4	Confident	101 Å²	101	66.6 Å²	66.6	47%	0.472	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-51.1	-34.6	173.5	-62.4	178	12.5	0	0	112.5	W101 Y452 Y456 H457	W101-Q454 HydrophobicContact CH2-CG 4.33Å; W101-Q454 HydrophobicContact CZ2-CG 4.23Å; Y452-Q454 VanDerWaalsContact C-N 3.29Å; Y452-Q454 PolarHBondContact O-N 2.82Å; Q454-Y456 PolarHBondContact O-N 3.09Å; Q454-Y456 VanDerWaalsContact O-N 3.13Å; Q454-H457 PolarHBondContact O-N 3.28Å; Q454-H457 VanDerWaalsContact O-N 3.13Å
455	T	93.5	Very high	85.1	Confident	35 Å²	35	67.4 Å²	67.4	22%	0.215	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-68.6	-8.2	177.8	69	0	0	0	0	114.3	R57 Q441 Y452 D453	R57-T455 PolarHBondContact NH1-OG1 3.4Å; R57-T455 PolarHBondContact NH2-O 3.04Å; R57-T455 PolarHBondContact NH2-OG1 2.76Å; Q441-T455 PolarHBondContact NE2-O 2.99Å; Q441-T455 VanDerWaalsContact OE1-CB 3.29Å; Y452-T455 PolarHBondContact O-N 3.44Å; Y452-T455 PolarHBondContact O-OG1 2.96Å; D453-T455 PolarHBondContact O-N 2.89Å
456	Y	95.5	Very high	86.1	Confident	2 Å²	2	56.1 Å²	56.1	1%	0.008	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-104.9	12.8	176.1	-64.8	-92.8	0	0	0	112.9	L52 W53 M54 R57 L114 Y452 D453 Q454	L52-Y456 CarbonylContact C-O 3.6Å; L52-Y456 WeakPolarHBondContact CA-O 3.49Å; W53-Y456 WeakPolarHBondContact CB-O 3.21Å; W53-Y456 PolarHBondContact N-O 3.47Å; W53-Y456 WeakPolarHBondContact O-CA 3.49Å; M54-Y456 HydrophobicContact CE-CD1 3.47Å; M54-Y456 VanDerWaalsContact CE-CD1 3.47Å; M54-Y456 HydrophobicContact CE-CE1 3.79Å; M54-Y456 HydrophobicContact CG-CD1 4.31Å; M54-Y456 HydrophobicContact CG-CE1 4.37Å; M54-Y456 HydrophobicContact SD-CD1 3.61Å; M54-Y456 HydrophobicContact SD-CE1 4.18Å; R57-Y456 VanDerWaalsContact NH2-CE2 3.31Å; R57-Y456 VanDerWaalsContact NH2-CZ 3.34Å; L114-Y456 HydrophobicContact CD1-CD1 3.68Å; L114-Y456 HydrophobicContact CD1-CD2 3.89Å; L114-Y456 HydrophobicContact CD1-CE1 3.86Å; L114-Y456 HydrophobicContact CD1-CE2 4.08Å; L114-Y456 HydrophobicContact CD1-CG 3.67Å; L114-Y456 HydrophobicContact CD2-CD2 4.27Å; Y452-Y456 AromaticContact CD1-CE2 3.91Å; Y452-Y456 HydrophobicContact CD1-CE2 3.91Å; Y452-Y456 HydrophobicContact CE1-CD2 4.42Å; Y452-Y456 AromaticContact CE1-CE2 3.31Å; Y452-Y456 HydrophobicContact CE1-CE2 3.31Å; Y452-Y456 AromaticContact CE1-CZ 3.89Å; Y452-Y456 AromaticContact CZ-CE2 3.67Å; Y452-Y456 PolarHBondContact OH-OH 3.04Å; D453-Y456 WeakPolarHBondContact O-CA 3.28Å; D453-Y456 VanDerWaalsContact O-CB 3.32Å; D453-Y456 WeakPolarHBondContact O-CB 3.29Å; D453-Y456 PolarHBondContact O-N 3.31Å; Q454-Y456 PolarHBondContact O-N 3.09Å; Q454-Y456 VanDerWaalsContact O-N 3.13Å
457	H	96.1	Very high	87.2	Confident	7 Å²	7	60.8 Å²	60.8	3%	0.032	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-125	128.8	177.8	-68.8	-73.4	0	0	0	109.3	N49 W101 Y110 D453 Q454	N49-H457 WeakPolarHBondContact O-CB 3.5Å; N49-H457 PolarHBondContact O-ND1 2.92Å; W101-H457 AromaticContact CD1-CD2 3.79Å; W101-H457 AromaticContact CD1-CE1 3.49Å; W101-H457 VanDerWaalsContact CD1-CE1 3.49Å; W101-H457 AromaticContact CD1-NE2 3.18Å; W101-H457 AromaticContact CD2-CD2 3.71Å; W101-H457 AromaticContact CD2-CE1 3.96Å; W101-H457 AromaticContact CD2-CG 3.81Å; W101-H457 AromaticContact CD2-ND1 3.95Å; W101-H457 AromaticContact CD2-NE2 3.86Å; W101-H457 AromaticContact CE2-CD2 3.44Å; W101-H457 VanDerWaalsContact CE2-CD2 3.44Å; W101-H457 AromaticContact CE2-CG 3.97Å; W101-H457 AromaticContact CE2-NE2 3.72Å; W101-H457 HydrophobicContact CE3-CB 4.43Å; W101-H457 AromaticContact CG-CD2 3.92Å; W101-H457 AromaticContact CG-CE1 3.42Å; W101-H457 VanDerWaalsContact CG-CE1 3.42Å; W101-H457 AromaticContact CG-ND1 3.79Å; W101-H457 AromaticContact CG-NE2 3.53Å; W101-H457 AromaticContact CZ2-CD2 3.9Å; W101-H457 HydrophobicContact CZ3-CB 4.48Å; W101-H457 AromaticContact NE1-CD2 3.49Å; W101-H457 PolarHBondContact NE1-CD2 2.98Å; W101-H457 AromaticContact NE1-NE2 3.29Å; W101-H457 PolarHBondContact NE1-NE2 3.36Å; Y110-H457 AromaticContact CE2-NE2 3.99Å; Y110-H457 AromaticContact CZ-NE2 3.76Å; Y110-H457 PolarHBondContact OH-NE2 2.98Å; D453-H457 PolarHBondContact O-CD2 2.76Å; D453-H457 VanDerWaalsContact O-CD2 3.28Å; Q454-H457 PolarHBondContact O-N 3.28Å; Q454-H457 VanDerWaalsContact O-N 3.13Å
458	C	96.1	Very high	88.2	Confident	4 Å²	4	63.1 Å²	63.1	3%	0.027	30%	0.303	C	S	.	.			trans	-99.6	118.5	-172.7	-170.6	0	0	0	0	111.1	N49 W53 L435	N49-C458 WeakPolarHBondContact CA-O 3.38Å; W53-C458 HydrophobicContact CB-CB 3.91Å; W53-C458 HydrophobicContact CD2-CB 3.61Å; W53-C458 HydrophobicContact CE3-CB 3.88Å; W53-C458 HydrophobicContact CG-CB 3.65Å; L435-C458 HydrophobicContact CD2-CB 3.95Å
459	D	92	Very high	89.2	Confident	106 Å²	106	62.5 Å²	62.5	57%	0.567	30%	0.3	S	S	*	.	S	Bend	trans	-83.3	-27.8	175.7	-62.5	-32.8	0	0	0	113.1	N49 P461	N49-D459 PolarHBondContact ND2-OD1 3.25Å; D459-P461 WeakPolarHBondContact O-CD 3.13Å
460	N	92.6	Very high	90.4	Very high	111 Å²	111	57 Å²	57	59%	0.594	28%	0.277	S	S	*	.			trans	-125.1	72.7	-172.7	-63.1	-71.7	0	0	0	112.1
461	P	96	Very high	91.8	Very high	7 Å²	7	53.5 Å²	53.5	5%	0.045	26%	0.255	C	S	.	.			trans	-50.4	154.9	163.8	-26.1	31.8	0	0	0	112.5	Y20 L48 I433 L435 D459	Y20-P461 WeakPolarHBondContact CB-O 3.5Å; Y20-P461 HydrophobicContact CD1-CB 4.03Å; Y20-P461 HydrophobicContact CD1-CG 4.26Å; Y20-P461 WeakPolarHBondContact CD1-O 3.47Å; Y20-P461 HydrophobicContact CD2-CB 4.33Å; Y20-P461 HydrophobicContact CE1-CB 4.28Å; Y20-P461 HydrophobicContact CE1-CG 3.99Å; Y20-P461 HydrophobicContact CE2-CG 4.39Å; Y20-P461 HydrophobicContact CG-CB 4.07Å; L48-P461 HydrophobicContact CB-CG 3.91Å; L48-P461 HydrophobicContact CD1-CB 4.36Å; L48-P461 HydrophobicContact CD1-CG 3.86Å; L48-P461 HydrophobicContact CG-CG 4.34Å; I433-P461 HydrophobicContact CG2-CB 3.99Å; L435-P461 HydrophobicContact CD2-CB 4.09Å; L435-P461 HydrophobicContact CD2-CG 3.94Å; D459-P461 WeakPolarHBondContact O-CD 3.13Å
462	I	95.1	Very high	93	Very high	50 Å²	50	49.4 Å²	49.4	26%	0.256	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	148.7	177.8	65.7	171.4	0	0	0	111.1	V422 I433 C434 D436 I464	V422-I462 HydrophobicContact CG1-CD1 4.32Å; I433-I462 WeakPolarHBondContact CA-O 3.09Å; C434-I462 HydrophobicContact CB-CD1 4.35Å; C434-I462 HydrophobicContact CB-CG1 3.82Å; C434-I462 PolarHBondContact N-O 3.45Å; C434-I462 PolarHBondContact O-N 3.19Å; D436-I462 HydrophobicContact CB-CD1 3.79Å; D436-I462 HydrophobicContact CB-CG1 4.23Å; D436-I462 HydrophobicContact CB-CG2 4.38Å; D436-I462 WeakPolarHBondContact OD2-CD1 3.49Å; I462-I464 HydrophobicContact CD1-CD1 3.68Å; I462-I464 HydrophobicContact CD1-CG1 4.08Å; I462-I464 HydrophobicContact CG1-CD1 4.34Å; I462-I464 HydrophobicContact CG1-CG1 4.37Å
463	R	95.6	Very high	93.9	Very high	96 Å²	96	47.6 Å²	47.6	36%	0.362	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	127.2	172.5	-176	173.9	68.1	-140	-1.5	110.3	Y20 L21 D431 V432	Y20-R463 VanDerWaalsContact C-NH1 3.29Å; Y20-R463 VanDerWaalsContact O-CD 3.31Å; Y20-R463 WeakPolarHBondContact O-CD 3.47Å; Y20-R463 PolarHBondContact O-NH1 3.36Å; L21-R463 PolarHBondContact O-NH1 3.21Å; D431-R463 HydrophobicContact CB-CG 3.5Å; D431-R463 VanDerWaalsContact CB-CG 3.5Å; D431-R463 VanDerWaalsContact OD2-CD 3.26Å; D431-R463 WeakPolarHBondContact OD2-CD 3.26Å; D431-R463 IonicContact OD2-NE 3.37Å; D431-R463 PolarHBondContact OD2-NE 3.11Å; V432-R463 CarbonylContact O-C 3.59Å; V432-R463 VanDerWaalsContact O-CA 3.31Å; V432-R463 WeakPolarHBondContact O-CA 3.28Å
464	I	94	Very high	94.2	Very high	36 Å²	36	47.5 Å²	47.5	19%	0.185	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	134.4	-178.9	-53.8	173	0	0	0	109.4	D431 V432 I462 L466 R468 L469	D431-I464 CarbonylContact C-O 3.47Å; D431-I464 WeakPolarHBondContact CA-O 3.25Å; V432-I464 HydrophobicContact CG2-CB 4.16Å; V432-I464 VanDerWaalsContact CG2-O 3.25Å; V432-I464 WeakPolarHBondContact CG2-O 3.44Å; V432-I464 PolarHBondContact N-O 3.18Å; V432-I464 PolarHBondContact O-N 3.35Å; I462-I464 HydrophobicContact CD1-CD1 3.68Å; I462-I464 HydrophobicContact CD1-CG1 4.08Å; I462-I464 HydrophobicContact CG1-CD1 4.34Å; I462-I464 HydrophobicContact CG1-CG1 4.37Å; I464-L466 PolarHBondContact O-N 3.14Å; I464-R468 HydrophobicContact CG2-CB 4.07Å; I464-L469 HydrophobicContact CG2-CD2 4.41Å
465	P	95.1	Very high	94.6	Very high	34 Å²	34	42.8 Å²	42.8	22%	0.221	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56	130.5	169.9	-25.7	33.3	0	0	0	112.6	D431 K467 R468	D431-P465 WeakPolarHBondContact OD1-CA 3.46Å; P465-K467 HydrophobicContact CB-CG 4.01Å; P465-K467 PolarHBondContact O-N 2.62Å; P465-K467 VanDerWaalsContact O-N 3.1Å; P465-R468 HydrophobicContact CB-CG 4.21Å; P465-R468 WeakPolarHBondContact O-CB 3.46Å; P465-R468 PolarHBondContact O-N 3.45Å
466	L	93	Very high	94.8	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-54.6	-36.1	-177.2	-176	68.8	0	0	0	112.3	F398 I401 D430 V432 I464 R468 L469	F398-L466 HydrophobicContact CB-CD2 3.59Å; F398-L466 HydrophobicContact CD1-CD2 3.67Å; F398-L466 HydrophobicContact CD1-CG 4.15Å; F398-L466 HydrophobicContact CD2-CD2 3.83Å; F398-L466 HydrophobicContact CD2-CG 4.48Å; F398-L466 HydrophobicContact CE1-CD2 4.32Å; F398-L466 HydrophobicContact CE1-CG 4.34Å; F398-L466 HydrophobicContact CE2-CD2 4.43Å; F398-L466 HydrophobicContact CG-CD2 3.41Å; F398-L466 VanDerWaalsContact CG-CD2 3.41Å; F398-L466 HydrophobicContact CG-CG 4.25Å; I401-L466 HydrophobicContact CD1-CD1 4.17Å; I401-L466 HydrophobicContact CG2-CD1 3.95Å; D430-L466 WeakPolarHBondContact O-CB 3.33Å; D430-L466 PolarHBondContact O-N 2.79Å; V432-L466 HydrophobicContact CG1-CB 4.32Å; V432-L466 HydrophobicContact CG1-CD1 3.45Å; V432-L466 VanDerWaalsContact CG1-CD1 3.45Å; V432-L466 HydrophobicContact CG1-CG 4.47Å; I464-L466 PolarHBondContact O-N 3.14Å; L466-R468 PolarHBondContact O-N 3.43Å; L466-L469 HydrophobicContact CD1-CD1 3.7Å; L466-L469 WeakPolarHBondContact O-CB 3.38Å; L466-L469 PolarHBondContact O-N 3.01Å
467	K	93.5	Very high	95	Very high	141 Å²	141	41.1 Å²	41.1	61%	0.613	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	-63.2	-16.4	176.1	68.1	-176.8	178.9	-174.5	0	115.5	F398 P465	F398-K467 HydrophobicContact CE2-CB 4.14Å; F398-K467 HydrophobicContact CZ-CB 3.94Å; P465-K467 HydrophobicContact CB-CG 4.01Å; P465-K467 PolarHBondContact O-N 2.62Å; P465-K467 VanDerWaalsContact O-N 3.1Å
468	R	91.9	Very high	95.1	Very high	188 Å²	188	41.2 Å²	41.2	71%	0.709	20%	0.197	S	C	*	.	G	3₁₀ helix	trans	-94.6	-4.9	-179.8	-69.1	-178.8	65.6	-175.3	-1.4	113.1	I464 P465 L466	I464-R468 HydrophobicContact CG2-CB 4.07Å; P465-R468 HydrophobicContact CB-CG 4.21Å; P465-R468 WeakPolarHBondContact O-CB 3.46Å; P465-R468 PolarHBondContact O-N 3.45Å; L466-R468 PolarHBondContact O-N 3.43Å
469	L	91	Very high	95.2	Very high	8 Å²	8	41 Å²	41	4%	0.042	20%	0.195	C	C	.	.	S	Bend	trans	-72.8	158.6	177.3	-62	177.1	0	0	0	111.3	P393 I424 V432 I464 L466 M473	P393-L469 WeakPolarHBondContact CD-O 3.47Å; P393-L469 HydrophobicContact CG-CB 4.41Å; P393-L469 WeakPolarHBondContact CG-O 3.3Å; I424-L469 HydrophobicContact CD1-CD1 3.61Å; I424-L469 HydrophobicContact CD1-CD2 4.22Å; V432-L469 HydrophobicContact CG1-CD1 4.2Å; V432-L469 HydrophobicContact CG2-CD1 3.91Å; V432-L469 HydrophobicContact CG2-CD2 4.07Å; V432-L469 HydrophobicContact CG2-CG 4.29Å; I464-L469 HydrophobicContact CG2-CD2 4.41Å; L466-L469 HydrophobicContact CD1-CD1 3.7Å; L466-L469 WeakPolarHBondContact O-CB 3.38Å; L466-L469 PolarHBondContact O-N 3.01Å; L469-M473 HydrophobicContact CB-CE 3.56Å; L469-M473 HydrophobicContact CD1-CE 3.59Å; L469-M473 HydrophobicContact CG-CE 4.25Å
470	D	93.1	Very high	95.4	Very high	33 Å²	33	37.5 Å²	37.5	18%	0.176	18%	0.179	C	C	.	.			trans	-71.8	142.6	169.5	-169.1	-84.3	0	0	0	110.4	R387 G416 S472 M473	R387-D470 IonicContact NH1-OD1 3.29Å; R387-D470 PolarHBondContact NH1-OD1 2.92Å; G416-D470 WeakPolarHBondContact O-CB 3.42Å; D470-S472 PolarHBondContact O-N 3.5Å; D470-S472 WeakPolarHBondContact OD1-CA 3.23Å; D470-S472 VanDerWaalsContact OD1-CB 3.23Å; D470-S472 WeakPolarHBondContact OD1-CB 3.39Å; D470-S472 PolarHBondContact OD1-N 3.34Å; D470-M473 WeakPolarHBondContact O-CE 3.41Å
471	P	94.9	Very high	95.6	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.17	C	C	.	.	S	Bend	trans	-68.3	-14.4	177.1	23.3	-31.4	0	0	0	114.9	R387 L388 G389 H391 P393	R387-P471 CarbonylContact C-O 3.57Å; R387-P471 WeakPolarHBondContact CA-O 3.49Å; L388-P471 PolarHBondContact N-O 3.44Å; G389-P471 WeakPolarHBondContact O-CB 3.49Å; G389-P471 WeakPolarHBondContact O-CG 3.35Å; H391-P471 VanDerWaalsContact O-CD 3.26Å; H391-P471 WeakPolarHBondContact O-CD 3.49Å; P393-P471 HydrophobicContact CG-CB 4.45Å
472	S	95.4	Very high	95.6	Very high	36 Å²	36	37.9 Å²	37.9	25%	0.252	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	119	171.4	-169.1	0	0	0	0	110.8	L386 D470	L386-S472 WeakPolarHBondContact O-CA 3.46Å; D470-S472 PolarHBondContact O-N 3.5Å; D470-S472 WeakPolarHBondContact OD1-CA 3.23Å; D470-S472 VanDerWaalsContact OD1-CB 3.23Å; D470-S472 WeakPolarHBondContact OD1-CB 3.39Å; D470-S472 PolarHBondContact OD1-N 3.34Å
473	M	95.9	Very high	95.8	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.01	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	161.9	-179.1	-62.3	-175.3	-176.6	0	0	111.2	P385 L386 L388 P393 I413 L414 L469 D470	P385-M473 CarbonylContact C-O 3.59Å; P385-M473 WeakPolarHBondContact CA-O 3.25Å; L386-M473 PolarHBondContact N-O 3.4Å; L386-M473 PolarHBondContact O-N 3.39Å; L388-M473 HydrophobicContact CD1-SD 4.15Å; P393-M473 HydrophobicContact CG-CE 4.17Å; I413-M473 HydrophobicContact CG2-CB 3.79Å; I413-M473 HydrophobicContact CG2-CG 4.18Å; I413-M473 HydrophobicContact CG2-SD 4.03Å; L414-M473 CarbonylContact O-C 3.57Å; L414-M473 VanDerWaalsContact O-CA 3.23Å; L414-M473 WeakPolarHBondContact O-CA 3.49Å; L469-M473 HydrophobicContact CB-CE 3.56Å; L469-M473 HydrophobicContact CD1-CE 3.59Å; L469-M473 HydrophobicContact CG-CE 4.25Å; D470-M473 WeakPolarHBondContact O-CE 3.41Å
474	V	97.9	Very high	95.9	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	118.6	164.3	165.3	0	0	0	0	108.2	P147 F383 V384 P385 I413 L414	P147-V474 HydrophobicContact CB-CB 4.04Å; P147-V474 HydrophobicContact CB-CG2 3.53Å; F383-V474 HydrophobicContact CB-CG1 3.63Å; F383-V474 HydrophobicContact CD1-CG1 3.58Å; F383-V474 HydrophobicContact CE1-CG1 4.49Å; F383-V474 HydrophobicContact CG-CG1 3.8Å; V384-V474 WeakPolarHBondContact O-CA 3.36Å; P385-V474 HydrophobicContact CB-CG2 3.92Å; P385-V474 HydrophobicContact CG-CG2 4.08Å; I413-V474 CarbonylContact C-O 3.59Å; I413-V474 WeakPolarHBondContact CA-O 3.23Å; L414-V474 HydrophobicContact CB-CB 4.2Å; L414-V474 HydrophobicContact CD1-CB 4.4Å; L414-V474 HydrophobicContact CD1-CG1 4.47Å; L414-V474 PolarHBondContact N-O 3.48Å; L414-V474 PolarHBondContact O-N 2.91Å
475	L	98	Very high	96.1	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.01	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	142.1	169.7	-46.6	-178	0	0	0	109.3	F383 V384 L386 V404 I413 F477 L507	F383-L475 CarbonylContact C-O 3.58Å; F383-L475 VanDerWaalsContact CA-O 3.3Å; F383-L475 WeakPolarHBondContact CA-O 3.42Å; V384-L475 HydrophobicContact CB-CB 4.21Å; V384-L475 PolarHBondContact N-O 3.46Å; V384-L475 PolarHBondContact O-N 3.19Å; L386-L475 HydrophobicContact CD1-CD1 3.69Å; L386-L475 HydrophobicContact CD1-CD2 3.96Å; L386-L475 HydrophobicContact CD1-CG 3.62Å; L386-L475 HydrophobicContact CG-CG 4.46Å; V404-L475 HydrophobicContact CG1-CD1 4.5Å; V404-L475 HydrophobicContact CG1-CD2 4.47Å; V404-L475 HydrophobicContact CG2-CD1 3.99Å; I413-L475 HydrophobicContact CB-CD2 4.42Å; I413-L475 HydrophobicContact CD1-CD2 3.46Å; I413-L475 VanDerWaalsContact CD1-CD2 3.46Å; I413-L475 HydrophobicContact CG1-CD2 3.57Å; I413-L475 HydrophobicContact CG2-CD2 4.09Å; L475-F477 HydrophobicContact CB-CE2 3.75Å; L475-F477 HydrophobicContact CB-CZ 4.07Å; L475-F477 HydrophobicContact CD1-CE2 4.19Å; L475-F477 HydrophobicContact CD1-CZ 4.1Å; L475-L507 HydrophobicContact CD1-CD1 4.48Å
476	G	98.6	Very high	96.2	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.01	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	135	173.4	0	0	0	0	0	112.9	L382 V411 G412	L382-G476 CarbonylContact O-C 3.6Å; L382-G476 WeakPolarHBondContact O-CA 3.35Å; V411-G476 WeakPolarHBondContact CG2-O 3.39Å; V411-G476 PolarHBondContact N-O 2.95Å; G412-G476 PolarHBondContact O-N 3.39Å
477	F	98.7	Very high	96.4	Very high	1 Å²	1	42.5 Å²	42.5	0%	0.004	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	133.3	174	-53.6	-80.5	0	0	0	111.7	L381 L382 V384 V404 L407 H409 C410 L475 L488 L492	L381-F477 CarbonylContact C-O 3.52Å; L381-F477 WeakPolarHBondContact CA-O 3.45Å; L382-F477 HydrophobicContact CB-CB 4.4Å; L382-F477 HydrophobicContact CD2-CD2 4.49Å; L382-F477 PolarHBondContact N-O 3.22Å; L382-F477 PolarHBondContact O-N 3.39Å; V384-F477 HydrophobicContact CG2-CD2 4.43Å; V384-F477 HydrophobicContact CG2-CE2 4.19Å; V404-F477 HydrophobicContact CG1-CE1 3.92Å; V404-F477 HydrophobicContact CG1-CZ 3.9Å; V404-F477 HydrophobicContact CG2-CZ 4.49Å; L407-F477 HydrophobicContact CD1-CE1 3.91Å; H409-F477 HydrophobicContact CB-CB 4.37Å; H409-F477 HydrophobicContact CB-CD1 4.43Å; H409-F477 CarbonylContact O-C 3.59Å; H409-F477 VanDerWaalsContact O-CA 3.26Å; H409-F477 WeakPolarHBondContact O-CA 3.09Å; C410-F477 HydrophobicContact CB-CD1 4.49Å; C410-F477 HydrophobicContact CB-CE1 4.47Å; L475-F477 HydrophobicContact CB-CE2 3.75Å; L475-F477 HydrophobicContact CB-CZ 4.07Å; L475-F477 HydrophobicContact CD1-CE2 4.19Å; L475-F477 HydrophobicContact CD1-CZ 4.1Å; F477-L488 HydrophobicContact CB-CD1 4.25Å; F477-L488 HydrophobicContact CB-CD2 3.58Å; F477-L488 HydrophobicContact CD1-CD1 3.6Å; F477-L488 HydrophobicContact CD1-CD2 4.45Å; F477-L488 HydrophobicContact CD2-CD2 4.39Å; F477-L488 HydrophobicContact CE1-CD1 4.05Å; F477-L488 HydrophobicContact CG-CD1 3.89Å; F477-L488 HydrophobicContact CG-CD2 3.91Å; F477-L492 HydrophobicContact CZ-CD2 4.12Å
478	L	98.6	Very high	96.7	Very high	8 Å²	8	35.8 Å²	35.8	4%	0.042	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	128.7	174	177.1	69.6	0	0	0	110.1	A89 R92 L166 L380 H409 V411	A89-L478 HydrophobicContact CB-CD1 4.28Å; A89-L478 WeakPolarHBondContact O-CD2 3.31Å; R92-L478 HydrophobicContact CB-CD2 3.57Å; R92-L478 HydrophobicContact CG-CD2 4.49Å; L166-L478 HydrophobicContact CD1-CD1 4.16Å; L380-L478 CarbonylContact O-C 3.5Å; L380-L478 WeakPolarHBondContact O-CA 3.36Å; H409-L478 WeakPolarHBondContact CB-O 3.17Å; H409-L478 PolarHBondContact O-N 3.18Å; V411-L478 HydrophobicContact CG1-CB 3.73Å
479	C	98.3	Very high	97	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	99.7	173.9	-58.9	0	0	0	0	109.4	W377 L380 T481 E484 F485 L488	W377-C479 PolarHBondContact NE1-O 2.95Å; L380-C479 HydrophobicContact CB-CB 4.27Å; L380-C479 HydrophobicContact CD2-CB 4.42Å; L380-C479 PolarHBondContact N-O 3.17Å; L380-C479 PolarHBondContact O-N 2.87Å; C479-T481 PolarHBondContact O-N 2.96Å; C479-E484 HydrophobicContact CB-CB 4.01Å; C479-F485 HydrophobicContact CB-CB 3.94Å; C479-L488 VanDerWaalsContact SG-CD2 3.59Å
480	S	96.4	Very high	97.3	Very high	33 Å²	33	31.9 Å²	31.9	23%	0.231	17%	0.165	C	C	.	.	S	Bend	trans	-71.5	-22	-177	-47.1	0	0	0	0	112.5	W377 E484	W377-S480 VanDerWaalsContact CD1-O 3.25Å; S480-E484 WeakPolarHBondContact CB-OE2 3.23Å; S480-E484 PolarHBondContact N-OE2 3.46Å; S480-E484 PolarHBondContact OG-OE2 3.12Å
481	T	96.6	Very high	97.5	Very high	64 Å²	64	31.7 Å²	31.7	39%	0.393	16%	0.164	S	C	.	.	S	Bend	trans	-134.1	160.8	179.4	67	0	0	0	0	110.8	W377 C479 K483 E484 F485	W377-T481 VanDerWaalsContact CD1-CA 3.46Å; C479-T481 PolarHBondContact O-N 2.96Å; T481-K483 PolarHBondContact O-N 2.76Å; T481-E484 PolarHBondContact O-N 3.43Å; T481-E484 VanDerWaalsContact O-N 3.16Å; T481-E484 WeakPolarHBondContact OG1-CG 3.43Å; T481-E484 PolarHBondContact OG1-N 2.77Å; T481-F485 PolarHBondContact O-N 3.5Å; T481-F485 VanDerWaalsContact O-N 3.17Å
482	E	97.1	Very high	97.6	Very high	62 Å²	62	31.9 Å²	31.9	29%	0.29	17%	0.165	S	C	.	.	H	α-helix	trans	-57.8	-37.4	173	-172.1	178.3	170.1	0	0	111.7	K182 W377 E484 F485 D486	K182-E482 HydrophobicContact CD-CG 4.47Å; K182-E482 WeakPolarHBondContact CD-OE1 3.39Å; K182-E482 WeakPolarHBondContact CE-OE1 3.38Å; K182-E482 IonicContact NZ-OE1 2.86Å; K182-E482 PolarHBondContact NZ-OE1 3.46Å; W377-E482 HydrophobicContact CD2-CB 3.9Å; W377-E482 HydrophobicContact CE3-CB 3.53Å; W377-E482 HydrophobicContact CE3-CG 3.9Å; W377-E482 HydrophobicContact CG-CB 4.42Å; W377-E482 HydrophobicContact CZ3-CB 3.86Å; W377-E482 HydrophobicContact CZ3-CG 3.78Å; E482-E484 PolarHBondContact O-N 2.99Å; E482-F485 WeakPolarHBondContact O-CB 3.28Å; E482-F485 PolarHBondContact O-N 3.06Å; E482-F485 VanDerWaalsContact O-N 3.11Å; E482-D486 PolarHBondContact O-N 2.93Å
483	K	97.3	Very high	97.6	Very high	133 Å²	133	34.1 Å²	34.1	58%	0.578	17%	0.17	S	C	*	.	H	α-helix	trans	-61	-43.9	176	-175	-171.2	177.3	-62.1	0	111.8	T481 F485 D486 D487	T481-K483 PolarHBondContact O-N 2.76Å; K483-F485 PolarHBondContact O-N 3.36Å; K483-D486 PolarHBondContact O-N 2.93Å; K483-D487 IonicContact NZ-OD1 3.03Å; K483-D487 PolarHBondContact NZ-OD1 3.03Å; K483-D487 IonicContact NZ-OD2 3.21Å; K483-D487 PolarHBondContact NZ-OD2 3.45Å; K483-D487 WeakPolarHBondContact O-CB 3.45Å; K483-D487 PolarHBondContact O-N 3.48Å
484	E	98	Very high	97.5	Very high	60 Å²	60	39.1 Å²	39.1	28%	0.28	19%	0.193	S	C	.	.	H	α-helix	trans	-62	-34.5	175.7	-75.5	176.1	-154.1	0	0	111.5	H409 C479 S480 T481 E482 L488	H409-E484 PolarHBondContact CE1-O 3.39Å; H409-E484 PolarHBondContact NE2-O 3.48Å; C479-E484 HydrophobicContact CB-CB 4.01Å; S480-E484 WeakPolarHBondContact CB-OE2 3.23Å; S480-E484 PolarHBondContact N-OE2 3.46Å; S480-E484 PolarHBondContact OG-OE2 3.12Å; T481-E484 PolarHBondContact O-N 3.43Å; T481-E484 VanDerWaalsContact O-N 3.16Å; T481-E484 WeakPolarHBondContact OG1-CG 3.43Å; T481-E484 PolarHBondContact OG1-N 2.77Å; E482-E484 PolarHBondContact O-N 2.99Å; E484-L488 WeakPolarHBondContact O-CB 3.06Å; E484-L488 PolarHBondContact O-N 3.25Å
485	F	98.1	Very high	97.4	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-68	-41.9	173.9	179.9	-116.8	0	0	0	112.3	I176 I178 I181 K182 W377 L380 L382 C479 T481 E482 K483 L488 C489	I176-F485 HydrophobicContact CG2-CE2 4.5Å; I176-F485 HydrophobicContact CG2-CZ 4.35Å; I178-F485 HydrophobicContact CB-CE1 4.48Å; I178-F485 HydrophobicContact CG2-CE1 3.99Å; I181-F485 HydrophobicContact CB-CE1 4.07Å; I181-F485 HydrophobicContact CB-CE2 4.44Å; I181-F485 HydrophobicContact CB-CZ 3.74Å; I181-F485 HydrophobicContact CD1-CE2 4.13Å; I181-F485 HydrophobicContact CD1-CZ 3.81Å; I181-F485 HydrophobicContact CG1-CZ 4.39Å; I181-F485 HydrophobicContact CG2-CD1 4.43Å; I181-F485 HydrophobicContact CG2-CD2 4.38Å; I181-F485 HydrophobicContact CG2-CE1 3.86Å; I181-F485 HydrophobicContact CG2-CE2 3.83Å; I181-F485 HydrophobicContact CG2-CZ 3.54Å; K182-F485 HydrophobicContact CG-CD1 4.04Å; K182-F485 HydrophobicContact CG-CE1 3.97Å; W377-F485 HydrophobicContact CH2-CB 3.78Å; W377-F485 AromaticContact CH2-CD1 3.85Å; W377-F485 HydrophobicContact CH2-CD1 3.85Å; W377-F485 AromaticContact CH2-CG 3.91Å; W377-F485 HydrophobicContact CH2-CG 3.91Å; W377-F485 HydrophobicContact CZ2-CB 3.81Å; W377-F485 HydrophobicContact CZ2-CG 4.28Å; L380-F485 HydrophobicContact CD2-CD2 3.56Å; L380-F485 HydrophobicContact CD2-CE2 3.92Å; L380-F485 HydrophobicContact CD2-CG 4.16Å; L382-F485 HydrophobicContact CD2-CE2 4.37Å; C479-F485 HydrophobicContact CB-CB 3.94Å; T481-F485 PolarHBondContact O-N 3.5Å; T481-F485 VanDerWaalsContact O-N 3.17Å; E482-F485 WeakPolarHBondContact O-CB 3.28Å; E482-F485 PolarHBondContact O-N 3.06Å; E482-F485 VanDerWaalsContact O-N 3.11Å; K483-F485 PolarHBondContact O-N 3.36Å; F485-L488 HydrophobicContact CD2-CD2 4.41Å; F485-L488 WeakPolarHBondContact O-CB 3.21Å; F485-L488 PolarHBondContact O-N 2.97Å; F485-C489 PolarHBondContact O-N 3Å; F485-C489 PolarHBondContact O-SG 2.87Å
486	D	98	Very high	97.2	Very high	64 Å²	64	42.5 Å²	42.5	34%	0.342	21%	0.209	S	C	.	.	H	α-helix	trans	-62.2	-44.2	174.1	-71.6	-28.9	0	0	0	111.6	K182 E482 K483 L488 C489 H490	K182-D486 WeakPolarHBondContact CE-OD1 3.44Å; K182-D486 VanDerWaalsContact NZ-CG 3.27Å; K182-D486 IonicContact NZ-OD1 3.41Å; K182-D486 PolarHBondContact NZ-OD1 2.91Å; K182-D486 IonicContact NZ-OD2 2.61Å; K182-D486 PolarHBondContact NZ-OD2 2.83Å; E482-D486 PolarHBondContact O-N 2.93Å; K483-D486 PolarHBondContact O-N 2.93Å; D486-L488 VanDerWaalsContact C-N 3.34Å; D486-L488 PolarHBondContact O-N 2.88Å; D486-C489 PolarHBondContact O-N 2.61Å; D486-H490 PolarHBondContact O-N 3.38Å
487	D	98.2	Very high	97	Very high	56 Å²	56	43.6 Å²	43.6	30%	0.299	22%	0.215	S	C	.	.	H	α-helix	trans	-61.7	-41.3	175.3	-66.6	-22.5	0	0	0	110.8	K483 H490 N491	K483-D487 IonicContact NZ-OD1 3.03Å; K483-D487 PolarHBondContact NZ-OD1 3.03Å; K483-D487 IonicContact NZ-OD2 3.21Å; K483-D487 PolarHBondContact NZ-OD2 3.45Å; K483-D487 WeakPolarHBondContact O-CB 3.45Å; K483-D487 PolarHBondContact O-N 3.48Å; D487-H490 PolarHBondContact O-N 2.91Å; D487-N491 WeakPolarHBondContact O-CB 3.41Å; D487-N491 PolarHBondContact O-N 2.92Å; D487-N491 PolarHBondContact O-ND2 3.33Å; D487-N491 PolarHBondContact O-OD1 2.83Å
488	L	98.2	Very high	96.8	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-59.7	-50.1	173.8	170.8	64.1	0	0	0	111.5	L382 L407 H409 F477 C479 E484 F485 D486 H490 N491 L492	L382-L488 HydrophobicContact CD2-CD2 4.16Å; L407-L488 HydrophobicContact CD1-CD1 4.13Å; H409-L488 HydrophobicContact CB-CB 4.44Å; H409-L488 HydrophobicContact CB-CD1 4.05Å; F477-L488 HydrophobicContact CB-CD1 4.25Å; F477-L488 HydrophobicContact CB-CD2 3.58Å; F477-L488 HydrophobicContact CD1-CD1 3.6Å; F477-L488 HydrophobicContact CD1-CD2 4.45Å; F477-L488 HydrophobicContact CD2-CD2 4.39Å; F477-L488 HydrophobicContact CE1-CD1 4.05Å; F477-L488 HydrophobicContact CG-CD1 3.89Å; F477-L488 HydrophobicContact CG-CD2 3.91Å; C479-L488 VanDerWaalsContact SG-CD2 3.59Å; E484-L488 WeakPolarHBondContact O-CB 3.06Å; E484-L488 PolarHBondContact O-N 3.25Å; F485-L488 HydrophobicContact CD2-CD2 4.41Å; F485-L488 WeakPolarHBondContact O-CB 3.21Å; F485-L488 PolarHBondContact O-N 2.97Å; D486-L488 VanDerWaalsContact C-N 3.34Å; D486-L488 PolarHBondContact O-N 2.88Å; L488-H490 VanDerWaalsContact C-N 3.3Å; L488-H490 PolarHBondContact O-N 3.13Å; L488-N491 PolarHBondContact O-N 2.72Å; L488-L492 HydrophobicContact CD1-CD1 3.73Å; L488-L492 HydrophobicContact CD1-CG 3.84Å; L488-L492 HydrophobicContact CG-CD1 3.85Å; L488-L492 HydrophobicContact CG-CG 4.38Å; L488-L492 WeakPolarHBondContact O-CB 3.34Å; L488-L492 WeakPolarHBondContact O-CG 3.29Å; L488-L492 PolarHBondContact O-N 2.7Å
489	C	97.9	Very high	96.4	Very high	6 Å²	6	50.5 Å²	50.5	4%	0.041	25%	0.253	C	S	.	.	H	α-helix	trans	-62	-38.5	-179.7	-75	0	0	0	0	112.1	I178 F485 D486 K493	I178-C489 HydrophobicContact CD1-CB 4.16Å; F485-C489 PolarHBondContact O-N 3Å; F485-C489 PolarHBondContact O-SG 2.87Å; D486-C489 PolarHBondContact O-N 2.61Å; C489-K493 WeakPolarHBondContact O-CG 3.38Å; C489-K493 PolarHBondContact O-N 2.78Å
490	H	97.5	Very high	96	Very high	108 Å²	108	54.6 Å²	54.6	50%	0.5	28%	0.282	S	S	.	.	H	α-helix	trans	-63.9	-53.8	173.7	179.2	64.1	0	0	0	111.4	D486 D487 L488 L492 K493 E494	D486-H490 PolarHBondContact O-N 3.38Å; D487-H490 PolarHBondContact O-N 2.91Å; L488-H490 VanDerWaalsContact C-N 3.3Å; L488-H490 PolarHBondContact O-N 3.13Å; H490-L492 VanDerWaalsContact C-N 3.31Å; H490-L492 PolarHBondContact O-N 2.79Å; H490-K493 WeakPolarHBondContact O-CB 3.28Å; H490-K493 PolarHBondContact O-N 3.32Å; H490-E494 PolarHBondContact O-N 2.98Å
491	N	97.2	Very high	95.6	Very high	30 Å²	30	54.5 Å²	54.5	16%	0.16	28%	0.28	C	S	.	.	H	α-helix	trans	-66.9	-31.6	-176.1	-60.6	-11	0	0	0	112.4	L407 D487 L488 E495	L407-N491 HydrophobicContact CD2-CB 3.57Å; D487-N491 WeakPolarHBondContact O-CB 3.41Å; D487-N491 PolarHBondContact O-N 2.92Å; D487-N491 PolarHBondContact O-ND2 3.33Å; D487-N491 PolarHBondContact O-OD1 2.83Å; L488-N491 PolarHBondContact O-N 2.72Å; N491-E495 WeakPolarHBondContact O-CA 3.38Å; N491-E495 VanDerWaalsContact O-CB 3.27Å; N491-E495 WeakPolarHBondContact O-CB 3.23Å; N491-E495 PolarHBondContact O-N 3.48Å
492	L	97.1	Very high	95.1	Very high	4 Å²	4	51.5 Å²	51.5	2%	0.021	26%	0.262	C	S	.	.	I	π-helix	trans	-60.6	-45.8	171.5	-80.2	168.9	0	0	0	111.2	I176 L407 F477 L488 H490 V496 L497 I510	I176-L492 HydrophobicContact CD1-CD1 3.85Å; L407-L492 HydrophobicContact CD1-CD2 3.64Å; L407-L492 HydrophobicContact CD1-CG 3.98Å; F477-L492 HydrophobicContact CZ-CD2 4.12Å; L488-L492 HydrophobicContact CD1-CD1 3.73Å; L488-L492 HydrophobicContact CD1-CG 3.84Å; L488-L492 HydrophobicContact CG-CD1 3.85Å; L488-L492 HydrophobicContact CG-CG 4.38Å; L488-L492 WeakPolarHBondContact O-CB 3.34Å; L488-L492 WeakPolarHBondContact O-CG 3.29Å; L488-L492 PolarHBondContact O-N 2.7Å; H490-L492 VanDerWaalsContact C-N 3.31Å; H490-L492 PolarHBondContact O-N 2.79Å; L492-V496 HydrophobicContact CD2-CB 4.21Å; L492-V496 HydrophobicContact CD2-CG1 4.44Å; L492-V496 HydrophobicContact CD2-CG2 4.14Å; L492-V496 WeakPolarHBondContact O-CB 3.45Å; L492-V496 PolarHBondContact O-N 3.13Å; L492-L497 HydrophobicContact CB-CD1 4.39Å; L492-L497 WeakPolarHBondContact O-CB 3.29Å; L492-L497 WeakPolarHBondContact O-CG 3.47Å; L492-L497 PolarHBondContact O-N 2.89Å; L492-I510 HydrophobicContact CB-CD1 3.57Å; L492-I510 HydrophobicContact CD1-CD1 3.84Å; L492-I510 HydrophobicContact CG-CD1 4.35Å
493	K	95.6	Very high	94.5	Very high	83 Å²	83	52.2 Å²	52.2	36%	0.361	27%	0.268	S	S	.	.	I	π-helix	trans	-63.9	-45.1	179.1	-71.1	174.7	-177.8	178.4	0	111.8	C489 H490 H498 I510	C489-K493 WeakPolarHBondContact O-CG 3.38Å; C489-K493 PolarHBondContact O-N 2.78Å; H490-K493 WeakPolarHBondContact O-CB 3.28Å; H490-K493 PolarHBondContact O-N 3.32Å; K493-H498 PolarHBondContact O-N 3.36Å; K493-I510 HydrophobicContact CG-CD1 4.23Å
494	E	95	Very high	93.7	Very high	107 Å²	107	50 Å²	50	50%	0.5	27%	0.269	S	S	.	.	I	π-helix	trans	-82.3	-39.2	-173.5	-63.3	-54.7	125.9	0	0	114	H490 H498	H490-E494 PolarHBondContact O-N 2.98Å; E494-H498 WeakPolarHBondContact O-CB 3.44Å
495	E	94.5	Very high	93.2	Very high	71 Å²	71	54.7 Å²	54.7	33%	0.332	28%	0.284	S	S	.	.	I	π-helix	trans	-104.2	-25.1	-170.1	-59.9	-174	-129.8	0	0	114.2	A403 L407 N491	A403-E495 VanDerWaalsContact CB-O 3.32Å; A403-E495 WeakPolarHBondContact CB-O 3.25Å; L407-E495 HydrophobicContact CD2-CB 4.39Å; N491-E495 WeakPolarHBondContact O-CA 3.38Å; N491-E495 VanDerWaalsContact O-CB 3.27Å; N491-E495 WeakPolarHBondContact O-CB 3.23Å; N491-E495 PolarHBondContact O-N 3.48Å
496	V	95.4	Very high	92.8	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.006	30%	0.303	C	S	.	.	I	π-helix	trans	-112.1	-47.3	-173	-178.5	0	0	0	0	111.9	A400 A403 V404 L407 L492 L507	A400-V496 HydrophobicContact CB-CG1 4.11Å; A403-V496 HydrophobicContact CB-CB 4.42Å; A403-V496 HydrophobicContact CB-CG2 3.88Å; V404-V496 HydrophobicContact CG2-CG1 3.87Å; V404-V496 HydrophobicContact CG2-CG2 4.29Å; L407-V496 HydrophobicContact CD1-CG2 3.83Å; L407-V496 HydrophobicContact CD2-CG2 4.33Å; L407-V496 HydrophobicContact CG-CG2 4.17Å; L492-V496 HydrophobicContact CD2-CB 4.21Å; L492-V496 HydrophobicContact CD2-CG1 4.44Å; L492-V496 HydrophobicContact CD2-CG2 4.14Å; L492-V496 WeakPolarHBondContact O-CB 3.45Å; L492-V496 PolarHBondContact O-N 3.13Å; V496-L507 HydrophobicContact CG1-CD1 3.99Å
497	L	93.9	Very high	92.5	Very high	25 Å²	25	55.3 Å²	55.3	13%	0.131	29%	0.291	C	S	.	.	S	Bend	trans	-96.7	-8.8	-172.6	-55.5	176.8	0	0	0	112.8	L492 P506 L507 V508 I510	L492-L497 HydrophobicContact CB-CD1 4.39Å; L492-L497 WeakPolarHBondContact O-CB 3.29Å; L492-L497 WeakPolarHBondContact O-CG 3.47Å; L492-L497 PolarHBondContact O-N 2.89Å; L497-P506 HydrophobicContact CB-CB 4.48Å; L497-P506 HydrophobicContact CD2-CB 3.81Å; L497-L507 HydrophobicContact CD2-CB 4.3Å; L497-V508 HydrophobicContact CD1-CG1 4.28Å; L497-V508 WeakPolarHBondContact CD1-O 3.41Å; L497-V508 HydrophobicContact CD2-CG1 4.23Å; L497-V508 WeakPolarHBondContact CD2-O 3.48Å; L497-I510 HydrophobicContact CD1-CD1 3.67Å; L497-I510 HydrophobicContact CD1-CG1 3.83Å
498	H	93.1	Very high	92.2	Very high	76 Å²	76	53.5 Å²	53.5	35%	0.352	28%	0.281	S	S	.	.	S	Bend	trans	-57.4	135.9	177.2	-174.6	-89.3	0	0	0	110.2	K493 E494 S500 V501 A502	K493-H498 PolarHBondContact O-N 3.36Å; E494-H498 WeakPolarHBondContact O-CB 3.44Å; H498-S500 PolarHBondContact CE1-OG 3.28Å; H498-S500 WeakPolarHBondContact ND1-CB 3.19Å; H498-S500 PolarHBondContact ND1-N 3.32Å; H498-S500 PolarHBondContact ND1-OG 3.21Å; H498-S500 PolarHBondContact O-N 2.95Å; H498-V501 PolarHBondContact O-N 3.29Å; H498-A502 PolarHBondContact O-N 2.94Å
499	P	91.2	Very high	91.9	Very high	77 Å²	77	58.8 Å²	58.8	50%	0.5	31%	0.306	S	S	.	.	H	α-helix	trans	-54.4	-31.3	-173.1	-29.8	35.6	0	0	0	114.9	V501 N503 S504	P499-V501 VanDerWaalsContact C-N 3.29Å; P499-V501 PolarHBondContact O-N 3.36Å; P499-N503 WeakPolarHBondContact O-CA 3.36Å; P499-N503 PolarHBondContact O-N 2.74Å; P499-N503 VanDerWaalsContact O-N 3.07Å; P499-S504 PolarHBondContact O-N 3.13Å
500	S	90.4	Very high	91.8	Very high	87 Å²	87	59.8 Å²	59.8	61%	0.608	31%	0.311	S	S	*	.	H	α-helix	trans	-68.1	-24.3	177	69.3	0	0	0	0	114.2	H498	H498-S500 PolarHBondContact CE1-OG 3.28Å; H498-S500 WeakPolarHBondContact ND1-CB 3.19Å; H498-S500 PolarHBondContact ND1-N 3.32Å; H498-S500 PolarHBondContact ND1-OG 3.21Å; H498-S500 PolarHBondContact O-N 2.95Å
501	V	88.5	Confident	91.6	Very high	31 Å²	31	57 Å²	57	19%	0.188	30%	0.298	C	S	.	.	H	α-helix	trans	-97.7	-46.5	178.7	179.6	0	0	0	0	110.3	N399 A403 H498 P499 N503	N399-V501 HydrophobicContact CB-CG1 4.28Å; N399-V501 WeakPolarHBondContact CB-O 3.25Å; A403-V501 HydrophobicContact CB-CG1 4.06Å; H498-V501 PolarHBondContact O-N 3.29Å; P499-V501 VanDerWaalsContact C-N 3.29Å; P499-V501 PolarHBondContact O-N 3.36Å; V501-N503 PolarHBondContact O-N 2.93Å
502	A	85.2	Confident	91.4	Very high	1 Å²	1	59.5 Å²	59.5	1%	0.008	31%	0.314	C	S	.	.	H	α-helix	trans	-78.3	-2.9	-176.5	0	0	0	0	0	113.9	H498 S504 W505	H498-A502 PolarHBondContact O-N 2.94Å; A502-S504 PolarHBondContact O-N 3.38Å; A502-W505 PolarHBondContact O-N 3.18Å
503	N	83.8	Confident	91.2	Very high	77 Å²	77	63.4 Å²	63.4	41%	0.412	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.8	38.1	-172.2	-58.4	-56.6	0	0	0	112.3	C396 P499 V501 W505	C396-N503 PolarHBondContact O-ND2 2.92Å; P499-N503 WeakPolarHBondContact O-CA 3.36Å; P499-N503 PolarHBondContact O-N 2.74Å; P499-N503 VanDerWaalsContact O-N 3.07Å; V501-N503 PolarHBondContact O-N 2.93Å; N503-W505 PolarHBondContact O-N 2.95Å
504	S	81.8	Confident	90.9	Very high	86 Å²	86	61.9 Å²	61.9	60%	0.601	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	64	9.9	-172.8	-51.5	0	0	0	0	116.4	P499 A502 P506	P499-S504 PolarHBondContact O-N 3.13Å; A502-S504 PolarHBondContact O-N 3.38Å; S504-P506 WeakPolarHBondContact O-CD 3.22Å
505	W	87.2	Confident	90.5	Very high	158 Å²	158	58.3 Å²	58.3	60%	0.598	32%	0.316	S	S	*	.			trans	-119	84.5	177.7	-59.1	104.6	0	0	0	110.1	Y397 A502 N503	Y397-W505 HydrophobicContact CE1-CB 3.94Å; Y397-W505 WeakPolarHBondContact CE1-O 3.31Å; A502-W505 PolarHBondContact O-N 3.18Å; N503-W505 PolarHBondContact O-N 2.95Å
506	P	89.6	Confident	90.1	Very high	61 Å²	61	61 Å²	61	40%	0.396	34%	0.343	S	S	.	.			trans	-62.8	146.3	-177.6	26.2	-33.6	0	0	0	111.5	L497 S504 V508	L497-P506 HydrophobicContact CB-CB 4.48Å; L497-P506 HydrophobicContact CD2-CB 3.81Å; S504-P506 WeakPolarHBondContact O-CD 3.22Å; P506-V508 VanDerWaalsContact C-N 3.3Å
507	L	91.1	Very high	89.5	Confident	17 Å²	17	67.3 Å²	67.3	9%	0.089	38%	0.377	C	S	.	.	S	Bend	trans	-66.2	-36.1	174.5	-69.5	174.2	0	0	0	112.1	L386 L388 Y397 A400 I401 V404 L475 V496 L497	L386-L507 HydrophobicContact CD1-CB 4.43Å; L386-L507 HydrophobicContact CD1-CD2 4.5Å; L386-L507 WeakPolarHBondContact CD2-O 3.17Å; L388-L507 HydrophobicContact CD1-CD2 4.29Å; L388-L507 HydrophobicContact CD2-CD2 3.74Å; Y397-L507 HydrophobicContact CD1-CD2 3.75Å; Y397-L507 HydrophobicContact CG-CD2 3.98Å; A400-L507 HydrophobicContact CB-CD1 3.51Å; A400-L507 HydrophobicContact CB-CD2 4.14Å; A400-L507 HydrophobicContact CB-CG 3.56Å; I401-L507 HydrophobicContact CG1-CD2 4.44Å; V404-L507 HydrophobicContact CG2-CD1 4.09Å; L475-L507 HydrophobicContact CD1-CD1 4.48Å; V496-L507 HydrophobicContact CG1-CD1 3.99Å; L497-L507 HydrophobicContact CD2-CB 4.3Å
508	V	92.9	Very high	88.8	Confident	17 Å²	17	67.3 Å²	67.3	10%	0.103	38%	0.377	C	S	.	.	S	Bend	trans	-153.7	152.1	-173.6	65.9	0	0	0	0	108.7	I176 V384 L497 P506	I176-V508 HydrophobicContact CD1-CG1 4.36Å; I176-V508 HydrophobicContact CG1-CG2 4.26Å; V384-V508 HydrophobicContact CG1-CB 4.11Å; V384-V508 HydrophobicContact CG1-CG1 4.49Å; V384-V508 HydrophobicContact CG1-CG2 3.82Å; L497-V508 HydrophobicContact CD1-CG1 4.28Å; L497-V508 WeakPolarHBondContact CD1-O 3.41Å; L497-V508 HydrophobicContact CD2-CG1 4.23Å; L497-V508 WeakPolarHBondContact CD2-O 3.48Å; P506-V508 VanDerWaalsContact C-N 3.3Å
509	E	92.1	Very high	88.1	Confident	112 Å²	112	67.8 Å²	67.8	52%	0.523	39%	0.387	S	S	.	.			trans	-92.3	150.3	171.9	-61.8	-172.9	173.2	0	0	111.3	G175 I176 H511	G175-E509 CarbonylContact C-O 3.54Å; G175-E509 WeakPolarHBondContact CA-O 3.42Å; I176-E509 PolarHBondContact N-O 3.49Å; E509-H511 IonicContact OE2-CE1 2.74Å; E509-H511 PolarHBondContact OE2-CE1 3.48Å; E509-H511 IonicContact OE2-NE2 2.76Å; E509-H511 PolarHBondContact OE2-NE2 2.94Å
510	I	94.5	Very high	87.1	Confident	26 Å²	26	69.6 Å²	69.6	13%	0.133	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	116.1	176	-54.9	-176.5	0	0	0	108.8	I176 I178 L492 K493 L497	I176-I510 HydrophobicContact CB-CG1 4.22Å; I176-I510 HydrophobicContact CB-CG2 4.44Å; I176-I510 HydrophobicContact CD1-CD1 4.37Å; I176-I510 HydrophobicContact CD1-CG1 4.25Å; I176-I510 CarbonylContact O-C 3.6Å; I176-I510 WeakPolarHBondContact O-CA 3.49Å; I178-I510 HydrophobicContact CD1-CG2 3.87Å; I178-I510 HydrophobicContact CG1-CG2 4.03Å; L492-I510 HydrophobicContact CB-CD1 3.57Å; L492-I510 HydrophobicContact CD1-CD1 3.84Å; L492-I510 HydrophobicContact CG-CD1 4.35Å; K493-I510 HydrophobicContact CG-CD1 4.23Å; L497-I510 HydrophobicContact CD1-CD1 3.67Å; L497-I510 HydrophobicContact CD1-CG1 3.83Å
511	H	93.6	Very high	86	Confident	51 Å²	51	69.5 Å²	69.5	24%	0.236	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	137.9	-179.3	-63.5	-77.4	0	0	0	109.9	D174 I176 I177 I178 E509 P515	D174-H511 PolarHBondContact O-CD2 3.06Å; I176-H511 PolarHBondContact O-N 3.2Å; I177-H511 WeakPolarHBondContact CA-O 3.32Å; I177-H511 HydrophobicContact CG1-CB 4.46Å; I178-H511 PolarHBondContact N-O 3.15Å; E509-H511 IonicContact OE2-CE1 2.74Å; E509-H511 PolarHBondContact OE2-CE1 3.48Å; E509-H511 IonicContact OE2-NE2 2.76Å; E509-H511 PolarHBondContact OE2-NE2 2.94Å; H511-P515 HydrophobicContact CB-CG 4.49Å
512	T	93.3	Very high	84.6	Confident	82 Å²	82	73.7 Å²	73.7	50%	0.503	42%	0.418	S	S	.	.	S	Bend	trans	-67	-55.2	174	-53.9	0	0	0	0	110	I178 D179	I178-T512 PolarHBondContact N-O 3.42Å; D179-T512 WeakPolarHBondContact CB-O 3.39Å; D179-T512 PolarHBondContact N-O 3.32Å
513	T	92	Very high	82.8	Confident	85 Å²	85	78.2 Å²	78.2	52%	0.521	45%	0.45	S	S	.	.	S	Bend	trans	-114.4	153.2	177.9	52.2	0	0	0	0	110.2	D179 P515	D179-T513 WeakPolarHBondContact OD2-CG2 3.22Å; T513-P515 VanDerWaalsContact O-CD 3.25Å; T513-P515 WeakPolarHBondContact O-CD 3.41Å
514	R	89.3	Confident	80.8	Confident	52 Å²	52	79.6 Å²	79.6	20%	0.196	47%	0.466	C	S	.	.			trans	-55.2	123	172.6	176.3	172.5	-69.9	-76.1	-19.4	110.6	I177 E180 L518 P519	I177-R514 HydrophobicContact CD1-CB 4.23Å; I177-R514 HydrophobicContact CD1-CG 4.34Å; I177-R514 VanDerWaalsContact CD1-NH2 3.33Å; I177-R514 HydrophobicContact CG2-CB 4.27Å; E180-R514 VanDerWaalsContact CD-NH2 3.28Å; E180-R514 WeakPolarHBondContact OE1-CB 3.42Å; E180-R514 IonicContact OE1-CZ 2.84Å; E180-R514 IonicContact OE1-NE 3.47Å; E180-R514 PolarHBondContact OE1-NE 2.89Å; E180-R514 IonicContact OE1-NH2 3.88Å; E180-R514 PolarHBondContact OE1-NH2 3.39Å; E180-R514 IonicContact OE2-CZ 3.77Å; E180-R514 IonicContact OE2-NE 3.28Å; E180-R514 IonicContact OE2-NH2 2.61Å; E180-R514 PolarHBondContact OE2-NH2 3.21Å; R514-L518 HydrophobicContact CG-CB 4.03Å; R514-L518 HydrophobicContact CG-CD1 4.23Å; R514-P519 PolarHBondContact NH1-O 3.34Å; R514-P519 VanDerWaalsContact NH1-O 3.16Å
515	P	87.3	Confident	78.4	Confident	32 Å²	32	82 Å²	82	21%	0.208	47%	0.472	C	S	.	.			trans	-57.4	138.1	170.2	-25.7	33.1	0	0	0	112.1	H511 T513 N517 L518	H511-P515 HydrophobicContact CB-CG 4.49Å; T513-P515 VanDerWaalsContact O-CD 3.25Å; T513-P515 WeakPolarHBondContact O-CD 3.41Å; P515-N517 VanDerWaalsContact CB-OD1 3.22Å; P515-N517 WeakPolarHBondContact CB-OD1 3.46Å; P515-N517 PolarHBondContact O-N 3.02Å; P515-N517 VanDerWaalsContact O-N 3.1Å; P515-L518 HydrophobicContact CB-CD1 4.31Å; P515-L518 HydrophobicContact CB-CG 4.2Å; P515-L518 HydrophobicContact CG-CD1 4.1Å; P515-L518 HydrophobicContact CG-CG 4.5Å; P515-L518 WeakPolarHBondContact O-CB 3.43Å; P515-L518 PolarHBondContact O-N 2.95Å
516	S	85.3	Confident	76.2	Confident	127 Å²	127	77.5 Å²	77.5	89%	0.888	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-18.7	-172.7	56.9	0	0	0	0	114.8	L518	S516-L518 VanDerWaalsContact C-N 3.34Å
517	N	84.1	Confident	73.5	Confident	134 Å²	134	78.5 Å²	78.5	72%	0.717	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-8.7	177.7	61.3	-65.8	0	0	0	113.4	P515	P515-N517 VanDerWaalsContact CB-OD1 3.22Å; P515-N517 WeakPolarHBondContact CB-OD1 3.46Å; P515-N517 PolarHBondContact O-N 3.02Å; P515-N517 VanDerWaalsContact O-N 3.1Å
518	L	79.5	Confident	70.8	Confident	24 Å²	24	84.2 Å²	84.2	13%	0.126	50%	0.496	C	S	.	.	S	Bend	trans	-84.1	147.1	176.7	-61.2	-177.2	0	0	0	111	D174 I177 R514 P515 S516	D174-L518 HydrophobicContact CB-CD1 3.39Å; D174-L518 HydrophobicContact CB-CD2 3.92Å; D174-L518 HydrophobicContact CB-CG 4.3Å; D174-L518 VanDerWaalsContact OD1-CD2 3.22Å; D174-L518 WeakPolarHBondContact OD1-CD2 3.38Å; D174-L518 WeakPolarHBondContact OD2-CD1 3.36Å; D174-L518 WeakPolarHBondContact OD2-CD2 3.21Å; I177-L518 HydrophobicContact CD1-CD1 4.29Å; R514-L518 HydrophobicContact CG-CB 4.03Å; R514-L518 HydrophobicContact CG-CD1 4.23Å; P515-L518 HydrophobicContact CB-CD1 4.31Å; P515-L518 HydrophobicContact CB-CG 4.2Å; P515-L518 HydrophobicContact CG-CD1 4.1Å; P515-L518 HydrophobicContact CG-CG 4.5Å; P515-L518 WeakPolarHBondContact O-CB 3.43Å; P515-L518 PolarHBondContact O-N 2.95Å; S516-L518 VanDerWaalsContact C-N 3.34Å
519	P	76.5	Confident	68.3	Low	87 Å²	87	89.6 Å²	89.6	57%	0.565	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-57.8	146.1	175	24.5	-33	0	0	0	110.5	R514	R514-P519 PolarHBondContact NH1-O 3.34Å; R514-P519 VanDerWaalsContact NH1-O 3.16Å
520	P	71.2	Confident	65.8	Low	115 Å²	115	85.7 Å²	85.7	75%	0.747	51%	0.507	S	S	*	.	P	Polyproline II helix	trans	-61.4	150.4	173.8	27.5	-33.6	0	0	0	109.4
521	L	67.4	Low	62.8	Low	84 Å²	84	90.6 Å²	90.6	44%	0.44	53%	0.532	S	S	.	.	P	Polyproline II helix	trans	-55.8	137.8	172.3	-71.5	172.2	0	0	0	109.3	E180 S523	E180-L521 HydrophobicContact CG-CD1 4.15Å; L521-S523 PolarHBondContact O-N 3.03Å; L521-S523 VanDerWaalsContact O-N 3.17Å
522	P	58.9	Low	60.1	Low	119 Å²	119	91.4 Å²	91.4	77%	0.773	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-55.3	127.7	167.1	22.4	-29.2	0	0	0	107.4	S524	P522-S524 PolarHBondContact O-N 2.97Å
523	S	47.1	Very low	57.2	Low	96 Å²	96	90.4 Å²	90.4	67%	0.671	53%	0.534	S	S	*	.	P	Polyproline II helix	trans	-50.5	137.2	173.8	46.7	0	0	0	0	108.2	L521 N525	L521-S523 PolarHBondContact O-N 3.03Å; L521-S523 VanDerWaalsContact O-N 3.17Å; S523-N525 PolarHBondContact O-N 3.26Å
524	S	42.2	Very low	54.4	Low	106 Å²	106	89 Å²	89	74%	0.741	53%	0.525	S	S	*	.			trans	-68	59.3	-175.4	57.7	0	0	0	0	112.2	P522 I526	P522-S524 PolarHBondContact O-N 2.97Å; S524-I526 PolarHBondContact O-N 2.95Å
525	N	31.4	Very low	51.7	Low	136 Å²	136	96 Å²	96	73%	0.727	55%	0.553	S	S	*	*			trans	-88.8	97.2	159.5	-75.3	-10	0	0	0	105.3	S523 P527	S523-N525 PolarHBondContact O-N 3.26Å; N525-P527 VanDerWaalsContact O-CD 3.25Å; N525-P527 WeakPolarHBondContact O-CD 3.39Å; N525-P527 VanDerWaalsContact O-N 3.16Å
526	I	40.2	Very low	49	Very low	65 Å²	65	98.6 Å²	98.6	33%	0.333	57%	0.57	S	S	.	*			trans	-54.6	119.2	163.2	-59.2	172.5	0	0	0	105.5	P190 F192 S524 N528 L530	P190-I526 HydrophobicContact CB-CD1 3.58Å; P190-I526 HydrophobicContact CG-CD1 3.55Å; F192-I526 HydrophobicContact CZ-CD1 4.41Å; F192-I526 HydrophobicContact CZ-CG2 4.42Å; S524-I526 PolarHBondContact O-N 2.95Å; I526-N528 PolarHBondContact O-N 2.79Å; I526-L530 HydrophobicContact CG2-CD1 3.44Å; I526-L530 VanDerWaalsContact CG2-CD1 3.44Å; I526-L530 HydrophobicContact CG2-CG 4.38Å
527	P	33.3	Very low	46.4	Very low	81 Å²	81	97.6 Å²	97.6	53%	0.526	56%	0.563	S	S	.	*			trans	-58	128.5	173.4	-21.1	32.7	0	0	0	108	N525 D529 L530	N525-P527 VanDerWaalsContact O-CD 3.25Å; N525-P527 WeakPolarHBondContact O-CD 3.39Å; N525-P527 VanDerWaalsContact O-N 3.16Å; P527-D529 HydrophobicContact CB-CB 4.13Å; P527-D529 PolarHBondContact O-N 3.22Å; P527-L530 PolarHBondContact O-N 3.19Å
528	N	34.9	Very low	43.7	Very low	137 Å²	137	98.6 Å²	98.6	73%	0.733	57%	0.569	S	S	*	*	G	3₁₀ helix	trans	-57.9	-7.5	171.7	-80	-27.7	0	0	0	112.5	I526 L530 L531	I526-N528 PolarHBondContact O-N 2.79Å; N528-L530 PolarHBondContact O-N 2.88Å; N528-L531 PolarHBondContact O-N 3.02Å
529	D	39.9	Very low	41.5	Very low	130 Å²	130	103.4 Å²	103.4	70%	0.695	59%	0.591	S	S	*	*	G	3₁₀ helix	trans	-63	4	172.8	-58.5	-19.3	0	0	0	114.7	P527 L531	P527-D529 HydrophobicContact CB-CB 4.13Å; P527-D529 PolarHBondContact O-N 3.22Å; D529-L531 VanDerWaalsContact C-N 3.33Å
530	L	39.3	Very low	39.2	Very low	31 Å²	31	105.3 Å²	105.3	16%	0.162	60%	0.596	C	S	.	*	G	3₁₀ helix	trans	-82.3	-3	174.8	-76.3	-179.7	0	0	0	114.3	K156 Y160 I526 P527 N528 I532	K156-L530 HydrophobicContact CD-CD2 4.2Å; K156-L530 HydrophobicContact CG-CD2 4.47Å; Y160-L530 PolarHBondContact OH-O 3.04Å; I526-L530 HydrophobicContact CG2-CD1 3.44Å; I526-L530 VanDerWaalsContact CG2-CD1 3.44Å; I526-L530 HydrophobicContact CG2-CG 4.38Å; P527-L530 PolarHBondContact O-N 3.19Å; N528-L530 PolarHBondContact O-N 2.88Å; L530-I532 PolarHBondContact O-N 3.4Å
531	L	32.7	Very low	37.3	Very low	128 Å²	128	107.9 Å²	107.9	67%	0.67	60%	0.603	S	S	*	*			trans	-74.2	77.4	166.8	-99.7	165.8	0	0	0	110.4	N528 D529 S533	N528-L531 PolarHBondContact O-N 3.02Å; D529-L531 VanDerWaalsContact C-N 3.33Å; L531-S533 PolarHBondContact O-N 3.41Å; L531-S533 VanDerWaalsContact O-N 3.17Å
532	I	35.8	Very low	35.5	Very low	68 Å²	68	111.8 Å²	111.8	35%	0.349	62%	0.624	S	S	.	*			trans	-69.6	108.9	158.2	-56	177.9	0	0	0	105.8	L530 V534	L530-I532 PolarHBondContact O-N 3.4Å; I532-V534 HydrophobicContact CB-CG2 3.96Å; I532-V534 HydrophobicContact CG2-CG2 3.43Å; I532-V534 VanDerWaalsContact CG2-CG2 3.43Å; I532-V534 PolarHBondContact O-N 3.1Å
533	S	32.2	Very low	34	Very low	62 Å²	62	109.4 Å²	109.4	43%	0.434	62%	0.62	S	S	.	*			trans	-66.7	85.6	162.7	53.2	0	0	0	0	108.2	L531 Y535	L531-S533 PolarHBondContact O-N 3.41Å; L531-S533 VanDerWaalsContact O-N 3.17Å; S533-Y535 PolarHBondContact O-N 3.47Å
534	V	33.6	Very low	33.2	Very low	55 Å²	55	114.2 Å²	114.2	33%	0.333	63%	0.632	S	S	.	*			trans	-76.7	45.6	174.8	-167.9	0	0	0	0	110.1	I532	I532-V534 HydrophobicContact CB-CG2 3.96Å; I532-V534 HydrophobicContact CG2-CG2 3.43Å; I532-V534 VanDerWaalsContact CG2-CG2 3.43Å; I532-V534 PolarHBondContact O-N 3.1Å
535	Y	32	Very low	32.4	Very low	198 Å²	198	112.3 Å²	112.3	78%	0.776	63%	0.629	S	S	*	*			trans	-153.8	106.8	173.8	-65	-73.2	0	0	0	111.1	S533	S533-Y535 PolarHBondContact O-N 3.47Å
536	P	30.7	Very low	32.4	Very low	88 Å²	88	112.2 Å²	112.2	57%	0.571	63%	0.633	S	S	*	*			trans	-71.3	122.2	146.5	-0.6	19	0	0	0	106.7	D538	P536-D538 VanDerWaalsContact C-N 3.35Å; P536-D538 PolarHBondContact O-N 2.96Å
537	S	31.4	Very low	31.9	Very low	106 Å²	106	116.6 Å²	116.6	74%	0.741	66%	0.657	S	S	*	*			trans	-63.5	94.7	167.9	44.5	0	0	0	0	109.2	Q539	S537-Q539 PolarHBondContact O-N 2.94Å
538	D	28.3	Very low	31.6	Very low	155 Å²	155	120.7 Å²	120.7	83%	0.829	67%	0.67	S	S	*	*			trans	-72	80	159	-76.2	-32.8	0	0	0	107.1	P536	P536-D538 VanDerWaalsContact C-N 3.35Å; P536-D538 PolarHBondContact O-N 2.96Å
539	Q	32	Very low	31.3	Very low	125 Å²	125	121.4 Å²	121.4	58%	0.584	67%	0.673	S	S	*	*			trans	-108.5	105.9	154.8	-75.2	-155.3	-68.2	0	0	107.5	S537	S537-Q539 PolarHBondContact O-N 2.94Å
540	D	28.9	Very low	31	Very low	126 Å²	126	119.9 Å²	119.9	67%	0.674	68%	0.678	S	S	*	*				29.9	111.7	129.6	-55.3	-36.1	0	0	0	116.5
541	N	31.1	Very low	30.6	Very low	170 Å²	170	125.2 Å²	125.2	91%	0.909	71%	0.707	S	S	*	*			trans	-144.9	91.4	132.9	-95.8	-31.1	0	0	0	109.9	G543	N541-G543 PolarHBondContact O-N 3.35Å
542	L	30.3	Very low	30.5	Very low	166 Å²	166	126 Å²	126	87%	0.869	71%	0.712	S	S	*	*			trans	-56	120.7	147.8	-84.7	139.8	0	0	0	108.9
543	G	26.5	Very low	30.3	Very low	68 Å²	68	128.4 Å²	128.4	70%	0.701	74%	0.735	S	S	*	*			trans	59.9	102.9	146.8	0	0	0	0	0	119.1	N541	N541-G543 PolarHBondContact O-N 3.35Å
544	H	31.5	Very low	30.1	Very low	198 Å²	198	132.5 Å²	132.5	92%	0.917	75%	0.75	S	S	*	*				-173.9	123.5	109.7	-118.5	-51.7	0	0	0	110
545	G	25.2	Very low	30.2	Very low	66 Å²	66	138.7 Å²	138.7	68%	0.68	78%	0.776	S	S	*	*			trans	-77.8	146	172.7	0	0	0	0	0	112.1
546	V	30.7	Very low	30	Very low	134 Å²	134	135.4 Å²	135.4	81%	0.812	77%	0.771	S	S	*	*			trans	-152.6	118.8	148.7	-178.4	0	0	0	0	109.4
547	N	30.4	Very low	30.2	Very low	157 Å²	157	137.6 Å²	137.6	84%	0.84	78%	0.783	S	S	*	*			trans	34.4	129.4	150.7	-72.5	-23.2	0	0	0	124.2
548	E	26	Very low	30.2	Very low	167 Å²	167	139.7 Å²	139.7	78%	0.78	79%	0.786	S	S	*	*			trans	-55.3	163	156.6	-61.2	172.1	145.7	0	0	114.6
549	N	29.2	Very low	30.4	Very low	152 Å²	152	136 Å²	136	81%	0.813	77%	0.773	S	S	*	*			trans	101.9	102.8	161.1	-51.8	-47.9	0	0	0	116.5
550	A	32.6	Very low	30.7	Very low	97 Å²	97	139.2 Å²	139.2	80%	0.802	79%	0.785	S	S	*	*				176.4	108.7	117.3	0	0	0	0	0	112.3
551	D	31.7	Very low	31.2	Very low	143 Å²	143	139.1 Å²	139.1	77%	0.765	78%	0.784	S	S	*	*			trans	37.5	119.5	133.3	-80.8	-43.1	0	0	0	122.9
552	N	29.5	Very low	31.6	Very low	144 Å²	144	136.6 Å²	136.6	77%	0.77	77%	0.77	S	S	*	*				47.6	112.4	121	-69.1	-40.6	0	0	0	119.8
553	S	32.1	Very low	32.1	Very low	119 Å²	119	134.3 Å²	134.3	83%	0.832	76%	0.763	S	S	*	*				-168.3	135.1	108.4	71.2	0	0	0	0	112.3
554	I	28.3	Very low	32.7	Very low	148 Å²	148	137.6 Å²	137.6	76%	0.759	76%	0.76	S	S	*	*			trans	-82.4	130.6	175.2	-67.8	164	0	0	0	108.2
555	H	35	Very low	33.3	Very low	186 Å²	186	135.2 Å²	135.2	86%	0.861	75%	0.749	S	S	*	*			trans	-138	110	151.9	-109.8	-50.8	0	0	0	111.1
556	N	28.8	Very low	34.1	Very low	128 Å²	128	139.3 Å²	139.3	68%	0.684	75%	0.751	S	S	*	*			trans	-74	130.6	171.5	-117.6	-6.1	0	0	0	110.1
557	T	35.5	Very low	34.9	Very low	135 Å²	135	134.9 Å²	134.9	83%	0.828	73%	0.732	S	S	*	*			trans	-132.6	105.3	154.5	52.2	0	0	0	0	109.4
558	N	29.8	Very low	36.3	Very low	150 Å²	150	133.2 Å²	133.2	80%	0.802	72%	0.718	S	S	*	*			trans	-60.8	125.5	173.3	-69.9	-34.1	0	0	0	111.9
559	S	34.2	Very low	37.7	Very low	78 Å²	78	130.8 Å²	130.8	55%	0.545	71%	0.709	S	S	.	*			trans	-97	130.6	154.9	43.9	0	0	0	0	109.3	D561	S559-D561 VanDerWaalsContact C-N 3.26Å; S559-D561 PolarHBondContact O-N 3.01Å
560	K	37.5	Very low	39	Very low	192 Å²	192	127.4 Å²	127.4	84%	0.835	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.3	7.6	-171.4	-92	177.8	171.9	176.2	0	114.6
561	D	40.4	Very low	40.6	Very low	124 Å²	124	129.7 Å²	129.7	66%	0.663	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.6	-16.1	-167.4	-60.2	-35	0	0	0	113.8	S559	S559-D561 VanDerWaalsContact C-N 3.26Å; S559-D561 PolarHBondContact O-N 3.01Å
562	D	38	Very low	42.1	Very low	116 Å²	116	125.5 Å²	125.5	62%	0.62	68%	0.677	S	S	*	*	H	α-helix	trans	-80.2	-22.1	-176.5	-64.7	-48.5	0	0	0	113.8	E564	D562-E564 VanDerWaalsContact C-N 3.35Å; D562-E564 PolarHBondContact O-N 3.45Å
563	V	40.6	Very low	43.7	Very low	119 Å²	119	123.7 Å²	123.7	72%	0.721	67%	0.665	S	S	*	*	H	α-helix	trans	-76.1	-23.6	-178.9	-176.6	0	0	0	0	112.1
564	E	40	Very low	45.6	Very low	136 Å²	136	119.9 Å²	119.9	64%	0.636	64%	0.644	S	S	*	*	H	α-helix	trans	-83.5	-24.6	-177.3	-139.8	-177.9	-150.5	0	0	112.7	D562	D562-E564 VanDerWaalsContact C-N 3.35Å; D562-E564 PolarHBondContact O-N 3.45Å
565	H	44.8	Very low	47.8	Very low	148 Å²	148	115.8 Å²	115.8	69%	0.685	63%	0.633	S	S	*	*	H	α-helix	trans	-82.1	-34.7	180	-122.1	-60.8	0	0	0	112.9	L569	H565-L569 PolarHBondContact O-N 3.3Å
566	E	40.7	Very low	49.4	Very low	152 Å²	152	111.7 Å²	111.7	71%	0.71	62%	0.62	S	S	*	*	H	α-helix	trans	-68.1	-36.9	175.8	-129.2	-175	175.2	0	0	112	L569 S570	E566-L569 PolarHBondContact O-N 3.01Å; E566-S570 WeakPolarHBondContact O-CB 3.48Å; E566-S570 PolarHBondContact O-N 3.5Å; E566-S570 VanDerWaalsContact O-N 3.08Å
567	G	47.7	Very low	51.2	Low	41 Å²	41	112.6 Å²	112.6	42%	0.423	62%	0.618	S	S	.	*	H	α-helix	trans	-62.3	-44	175.4	0	0	0	0	0	113.1	S570 E571	G567-S570 PolarHBondContact O-N 3.36Å; G567-E571 WeakPolarHBondContact O-CB 3.39Å; G567-E571 PolarHBondContact O-N 3.06Å
568	K	60.3	Low	53.1	Low	123 Å²	123	109.2 Å²	109.2	54%	0.535	60%	0.604	S	S	.	*	H	α-helix	trans	-67.9	-37.4	179.6	-72	175.4	-176.7	165.4	0	112.7	A572	K568-A572 WeakPolarHBondContact O-CB 3.43Å; K568-A572 PolarHBondContact O-N 3.02Å
569	L	55.2	Low	55.2	Low	115 Å²	115	107.6 Å²	107.6	60%	0.602	60%	0.595	S	S	*	*	H	α-helix	trans	-68	-43.6	176.5	-168.7	77.3	0	0	0	111.4	H565 E566 E571 A572 M573	H565-L569 PolarHBondContact O-N 3.3Å; E566-L569 PolarHBondContact O-N 3.01Å; L569-E571 VanDerWaalsContact C-N 3.35Å; L569-E571 PolarHBondContact O-N 3.44Å; L569-A572 PolarHBondContact O-N 3.36Å; L569-M573 WeakPolarHBondContact O-CG 3.48Å; L569-M573 PolarHBondContact O-N 3.32Å
570	S	56.8	Low	56.5	Low	81 Å²	81	112.7 Å²	112.7	57%	0.566	60%	0.602	S	S	*	*	H	α-helix	trans	-59.2	-44.5	174.9	176.9	0	0	0	0	111.9	E566 G567 M573 G574	E566-S570 WeakPolarHBondContact O-CB 3.48Å; E566-S570 PolarHBondContact O-N 3.5Å; E566-S570 VanDerWaalsContact O-N 3.08Å; G567-S570 PolarHBondContact O-N 3.36Å; S570-M573 PolarHBondContact O-N 2.94Å; S570-G574 PolarHBondContact O-N 3.42Å
571	E	65.5	Low	58.2	Low	146 Å²	146	107.1 Å²	107.1	68%	0.682	59%	0.587	S	S	*	*	H	α-helix	trans	-64.1	-43.9	177.3	-168.7	174.3	-170.6	0	0	112	G567 L569 G574 A575	G567-E571 WeakPolarHBondContact O-CB 3.39Å; G567-E571 PolarHBondContact O-N 3.06Å; L569-E571 VanDerWaalsContact C-N 3.35Å; L569-E571 PolarHBondContact O-N 3.44Å; E571-G574 PolarHBondContact O-N 3.24Å; E571-A575 PolarHBondContact O-N 3.27Å
572	A	63.8	Low	59.9	Low	54 Å²	54	108.1 Å²	108.1	45%	0.446	59%	0.586	S	S	.	*	H	α-helix	trans	-62.6	-44.7	175.8	0	0	0	0	0	112.3	K568 L569 G574 A575 V576	K568-A572 WeakPolarHBondContact O-CB 3.43Å; K568-A572 PolarHBondContact O-N 3.02Å; L569-A572 PolarHBondContact O-N 3.36Å; A572-G574 VanDerWaalsContact C-N 3.3Å; A572-G574 PolarHBondContact O-N 3.04Å; A572-A575 PolarHBondContact O-N 3.46Å; A572-V576 WeakPolarHBondContact O-CG2 3.14Å; A572-V576 PolarHBondContact O-N 3.33Å
573	M	62.3	Low	61.5	Low	107 Å²	107	106.1 Å²	106.1	53%	0.527	58%	0.58	S	S	.	*	H	α-helix	trans	-63.7	-36.5	175	-72.5	-175.8	73.5	0	0	112	L569 S570 K577	L569-M573 WeakPolarHBondContact O-CG 3.48Å; L569-M573 PolarHBondContact O-N 3.32Å; S570-M573 PolarHBondContact O-N 2.94Å; M573-K577 WeakPolarHBondContact O-CG 3.48Å; M573-K577 PolarHBondContact O-N 3.45Å
574	G	72.6	Confident	62.7	Low	38 Å²	38	104.7 Å²	104.7	39%	0.392	57%	0.568	S	S	.	*	H	α-helix	trans	-61.1	-46.2	172.7	0	0	0	0	0	112.3	S570 E571 A572 K577 A578	S570-G574 PolarHBondContact O-N 3.42Å; E571-G574 PolarHBondContact O-N 3.24Å; A572-G574 VanDerWaalsContact C-N 3.3Å; A572-G574 PolarHBondContact O-N 3.04Å; G574-K577 PolarHBondContact O-N 3.33Å; G574-A578 WeakPolarHBondContact O-CB 3.4Å; G574-A578 PolarHBondContact O-N 3.34Å
575	A	74.2	Confident	64.3	Low	63 Å²	63	104.1 Å²	104.1	52%	0.521	57%	0.565	S	S	.	*	H	α-helix	trans	-62.5	-42.8	177.3	0	0	0	0	0	112.3	E571 A572 A578 L579	E571-A575 PolarHBondContact O-N 3.27Å; A572-A575 PolarHBondContact O-N 3.46Å; A575-A578 PolarHBondContact O-N 3.2Å; A575-L579 WeakPolarHBondContact O-CB 3.28Å; A575-L579 PolarHBondContact O-N 3.09Å
576	V	68.7	Low	65.8	Low	99 Å²	99	101.1 Å²	101.1	60%	0.6	56%	0.557	S	S	*	*	H	α-helix	trans	-63.3	-44.5	176.6	173	0	0	0	0	111.4	A572 A578 L579 W580	A572-V576 WeakPolarHBondContact O-CG2 3.14Å; A572-V576 PolarHBondContact O-N 3.33Å; V576-A578 VanDerWaalsContact C-N 3.34Å; V576-A578 PolarHBondContact O-N 3.43Å; V576-L579 PolarHBondContact O-N 3.3Å; V576-W580 WeakPolarHBondContact O-CB 3.42Å; V576-W580 PolarHBondContact O-N 2.93Å
577	K	66.6	Low	67	Low	148 Å²	148	96.3 Å²	96.3	64%	0.643	54%	0.544	S	S	*	.	H	α-helix	trans	-62.1	-40.3	175.8	-77.3	178.3	178.9	175.3	0	112.1	M573 G574 S581	M573-K577 WeakPolarHBondContact O-CG 3.48Å; M573-K577 PolarHBondContact O-N 3.45Å; G574-K577 PolarHBondContact O-N 3.33Å; K577-S581 WeakPolarHBondContact O-CB 3.17Å; K577-S581 PolarHBondContact O-N 3.23Å
578	A	74.9	Confident	68	Low	63 Å²	63	95.7 Å²	95.7	52%	0.521	54%	0.537	S	S	.	.	H	α-helix	trans	-65.1	-42.7	177.2	0	0	0	0	0	111.9	G574 A575 V576 S581 K582	G574-A578 WeakPolarHBondContact O-CB 3.4Å; G574-A578 PolarHBondContact O-N 3.34Å; A575-A578 PolarHBondContact O-N 3.2Å; V576-A578 VanDerWaalsContact C-N 3.34Å; V576-A578 PolarHBondContact O-N 3.43Å; A578-S581 PolarHBondContact O-N 3.2Å; A578-K582 PolarHBondContact O-N 2.83Å
579	L	74.9	Confident	68.7	Low	117 Å²	117	92.9 Å²	92.9	61%	0.613	53%	0.528	S	S	*	.	H	α-helix	trans	-63.2	-47.5	177	-167.1	71.6	0	0	0	111.3	A575 V576 S581 K582 C583	A575-L579 WeakPolarHBondContact O-CB 3.28Å; A575-L579 PolarHBondContact O-N 3.09Å; V576-L579 PolarHBondContact O-N 3.3Å; L579-S581 VanDerWaalsContact C-N 3.34Å; L579-S581 PolarHBondContact O-N 3.29Å; L579-K582 PolarHBondContact O-N 3.42Å; L579-C583 PolarHBondContact O-N 3.36Å; L579-C583 PolarHBondContact O-SG 3.03Å; L579-C583 VanDerWaalsContact O-SG 3.39Å
580	W	61.8	Low	69.4	Low	184 Å²	184	90.9 Å²	90.9	70%	0.697	52%	0.521	S	S	*	.	H	α-helix	trans	-57.5	-44.2	176.3	-176.9	-87.5	0	0	0	112.5	V576 C583 N584	V576-W580 WeakPolarHBondContact O-CB 3.42Å; V576-W580 PolarHBondContact O-N 2.93Å; W580-C583 PolarHBondContact O-N 2.87Å; W580-N584 PolarHBondContact NE1-ND2 3.33Å; W580-N584 PolarHBondContact O-N 3.26Å; W580-N584 VanDerWaalsContact O-N 3.1Å; W580-N584 PolarHBondContact O-ND2 2.66Å
581	S	72.2	Confident	69.8	Low	76 Å²	76	91.1 Å²	91.1	53%	0.531	52%	0.518	S	S	.	.	H	α-helix	trans	-61.6	-44.1	176.8	-169.8	0	0	0	0	111.9	K577 A578 L579 N584 Q585	K577-S581 WeakPolarHBondContact O-CB 3.17Å; K577-S581 PolarHBondContact O-N 3.23Å; A578-S581 PolarHBondContact O-N 3.2Å; L579-S581 VanDerWaalsContact C-N 3.34Å; L579-S581 PolarHBondContact O-N 3.29Å; S581-N584 PolarHBondContact O-N 3.18Å; S581-Q585 PolarHBondContact O-N 3.34Å
582	K	75.5	Confident	70	Confident	145 Å²	145	91.7 Å²	91.7	63%	0.63	52%	0.515	S	S	*	.	H	α-helix	trans	-65.9	-42.1	179.4	-164.5	172.5	-175.6	179.1	0	112.2	A578 L579 N584 Q585 V586	A578-K582 PolarHBondContact O-N 2.83Å; L579-K582 PolarHBondContact O-N 3.42Å; K582-N584 PolarHBondContact O-N 2.73Å; K582-Q585 PolarHBondContact O-N 3.06Å; K582-V586 WeakPolarHBondContact O-CG2 3.36Å; K582-V586 PolarHBondContact O-N 2.96Å
583	C	72.5	Confident	70.3	Confident	74 Å²	74	93.5 Å²	93.5	50%	0.5	52%	0.52	S	S	.	.	H	α-helix	trans	-60	-45.2	175	-71.7	0	0	0	0	111.7	L579 W580 Q585 V586 A587	L579-C583 PolarHBondContact O-N 3.36Å; L579-C583 PolarHBondContact O-SG 3.03Å; L579-C583 VanDerWaalsContact O-SG 3.39Å; W580-C583 PolarHBondContact O-N 2.87Å; C583-Q585 VanDerWaalsContact C-N 3.34Å; C583-Q585 PolarHBondContact O-N 3.38Å; C583-V586 PolarHBondContact O-N 3.17Å; C583-A587 WeakPolarHBondContact O-CB 3.31Å; C583-A587 PolarHBondContact O-N 2.88Å
584	N	66.2	Low	70.4	Confident	88 Å²	88	94.1 Å²	94.1	47%	0.471	53%	0.525	S	S	.	.	H	α-helix	trans	-64.8	-36.8	177.4	-76.4	-34.5	0	0	0	112.9	W580 S581 K582 G588	W580-N584 PolarHBondContact NE1-ND2 3.33Å; W580-N584 PolarHBondContact O-N 3.26Å; W580-N584 VanDerWaalsContact O-N 3.1Å; W580-N584 PolarHBondContact O-ND2 2.66Å; S581-N584 PolarHBondContact O-N 3.18Å; K582-N584 PolarHBondContact O-N 2.73Å; N584-G588 PolarHBondContact O-N 3.01Å
585	Q	73.1	Confident	69.7	Low	124 Å²	124	96.1 Å²	96.1	58%	0.579	54%	0.538	S	S	*	.	H	α-helix	trans	-64.2	-47.7	175.1	-172.8	170.2	19.7	0	0	111.5	S581 K582 C583 A587 G588 D589	S581-Q585 PolarHBondContact O-N 3.34Å; K582-Q585 PolarHBondContact O-N 3.06Å; C583-Q585 VanDerWaalsContact C-N 3.34Å; C583-Q585 PolarHBondContact O-N 3.38Å; Q585-A587 PolarHBondContact O-N 3.42Å; Q585-G588 PolarHBondContact O-N 2.92Å; Q585-D589 PolarHBondContact O-N 2.97Å
586	V	76.7	Confident	68.8	Low	85 Å²	85	99.5 Å²	99.5	52%	0.515	55%	0.547	S	S	.	.	H	α-helix	trans	-62	-42.5	177.9	173.3	0	0	0	0	111.5	K582 C583 D589 T590	K582-V586 WeakPolarHBondContact O-CG2 3.36Å; K582-V586 PolarHBondContact O-N 2.96Å; C583-V586 PolarHBondContact O-N 3.17Å; V586-D589 PolarHBondContact O-N 3.23Å; V586-T590 WeakPolarHBondContact O-CB 3.36Å; V586-T590 PolarHBondContact O-N 3.46Å; V586-T590 PolarHBondContact O-OG1 3Å
587	A	65.5	Low	67.7	Low	52 Å²	52	99.2 Å²	99.2	43%	0.43	55%	0.545	S	S	.	.	H	α-helix	trans	-62.1	-45.4	175.6	0	0	0	0	0	111.2	C583 Q585 T590 V591	C583-A587 WeakPolarHBondContact O-CB 3.31Å; C583-A587 PolarHBondContact O-N 2.88Å; Q585-A587 PolarHBondContact O-N 3.42Å; A587-T590 PolarHBondContact O-N 3.49Å; A587-V591 WeakPolarHBondContact O-CG2 3.44Å; A587-V591 PolarHBondContact O-N 2.91Å
588	G	68.2	Low	66.3	Low	27 Å²	27	96.9 Å²	96.9	28%	0.278	55%	0.545	S	S	.	.	H	α-helix	trans	-60.9	-43.8	176.2	0	0	0	0	0	113.5	N584 Q585 V591 R592	N584-G588 PolarHBondContact O-N 3.01Å; Q585-G588 PolarHBondContact O-N 2.92Å; G588-V591 PolarHBondContact O-N 3.49Å; G588-R592 WeakPolarHBondContact O-CG 3.38Å; G588-R592 PolarHBondContact O-N 3.2Å
589	D	74.5	Confident	64.7	Low	64 Å²	64	103.1 Å²	103.1	34%	0.342	56%	0.564	S	S	.	*	H	α-helix	trans	-69.3	-35.2	179	-69.9	-20.8	0	0	0	111.7	Q585 V586 R592 T593	Q585-D589 PolarHBondContact O-N 2.97Å; V586-D589 PolarHBondContact O-N 3.23Å; D589-R592 PolarHBondContact O-N 3.29Å; D589-R592 IonicContact OD1-CZ 3.55Å; D589-R592 IonicContact OD1-NH1 2.79Å; D589-R592 PolarHBondContact OD1-NH1 3.08Å; D589-R592 IonicContact OD1-NH2 3.89Å; D589-T593 WeakPolarHBondContact O-CB 3.46Å; D589-T593 PolarHBondContact O-N 3.19Å; D589-T593 PolarHBondContact O-OG1 3.46Å
590	T	69.8	Low	63	Low	74 Å²	74	108.5 Å²	108.5	45%	0.454	58%	0.576	S	S	.	*	H	α-helix	trans	-63.8	-46.4	174	-58.5	0	0	0	0	111	V586 A587 R592 T593 L594	V586-T590 WeakPolarHBondContact O-CB 3.36Å; V586-T590 PolarHBondContact O-N 3.46Å; V586-T590 PolarHBondContact O-OG1 3Å; A587-T590 PolarHBondContact O-N 3.49Å; T590-R592 PolarHBondContact O-N 3.28Å; T590-T593 WeakPolarHBondContact O-CB 3.44Å; T590-T593 PolarHBondContact O-N 3.35Å; T590-L594 HydrophobicContact CG2-CD1 4.09Å; T590-L594 WeakPolarHBondContact O-CG 3.41Å; T590-L594 PolarHBondContact O-N 2.95Å
591	V	65.9	Low	61.6	Low	85 Å²	85	108 Å²	108	52%	0.515	58%	0.579	S	S	.	*	H	α-helix	trans	-61.5	-42.4	176	171.5	0	0	0	0	111.3	A587 G588 T593 L594 A595	A587-V591 WeakPolarHBondContact O-CG2 3.44Å; A587-V591 PolarHBondContact O-N 2.91Å; G588-V591 PolarHBondContact O-N 3.49Å; V591-T593 VanDerWaalsContact C-N 3.33Å; V591-T593 PolarHBondContact O-N 2.99Å; V591-L594 PolarHBondContact O-N 3.21Å; V591-A595 WeakPolarHBondContact O-CB 3.42Å; V591-A595 PolarHBondContact O-N 2.87Å
592	R	70.4	Confident	60	Low	159 Å²	159	111.3 Å²	111.3	60%	0.6	60%	0.596	S	S	*	*	H	α-helix	trans	-64.3	-37.7	174.9	-72.4	-170.8	-142.5	125.5	9.8	112.5	G588 D589 T590 A595 N596	G588-R592 WeakPolarHBondContact O-CG 3.38Å; G588-R592 PolarHBondContact O-N 3.2Å; D589-R592 PolarHBondContact O-N 3.29Å; D589-R592 IonicContact OD1-CZ 3.55Å; D589-R592 IonicContact OD1-NH1 2.79Å; D589-R592 PolarHBondContact OD1-NH1 3.08Å; D589-R592 IonicContact OD1-NH2 3.89Å; T590-R592 PolarHBondContact O-N 3.28Å; R592-A595 PolarHBondContact O-N 3.49Å; R592-N596 PolarHBondContact O-N 3.38Å; R592-N596 PolarHBondContact O-ND2 2.96Å
593	T	70.6	Confident	58	Low	92 Å²	92	113 Å²	113	56%	0.564	60%	0.603	S	S	*	*	H	α-helix	trans	-65	-45.3	177.2	-57.8	0	0	0	0	110.8	D589 T590 V591 A595 N596 V597	D589-T593 WeakPolarHBondContact O-CB 3.46Å; D589-T593 PolarHBondContact O-N 3.19Å; D589-T593 PolarHBondContact O-OG1 3.46Å; T590-T593 WeakPolarHBondContact O-CB 3.44Å; T590-T593 PolarHBondContact O-N 3.35Å; V591-T593 VanDerWaalsContact C-N 3.33Å; V591-T593 PolarHBondContact O-N 2.99Å; T593-A595 PolarHBondContact O-N 3.31Å; T593-N596 PolarHBondContact O-N 3.46Å; T593-V597 WeakPolarHBondContact O-CG2 3.36Å; T593-V597 PolarHBondContact O-N 3.05Å
594	L	64.2	Low	56.3	Low	120 Å²	120	112.2 Å²	112.2	63%	0.628	61%	0.607	S	S	*	*	H	α-helix	trans	-65.1	-37.1	176.8	-72	169.7	0	0	0	112.5	T590 V591 N596 V597	T590-L594 HydrophobicContact CG2-CD1 4.09Å; T590-L594 WeakPolarHBondContact O-CG 3.41Å; T590-L594 PolarHBondContact O-N 2.95Å; V591-L594 PolarHBondContact O-N 3.21Å; L594-N596 VanDerWaalsContact C-N 3.26Å; L594-N596 PolarHBondContact O-N 2.92Å; L594-V597 PolarHBondContact O-N 3.41Å
595	A	58.1	Low	55	Low	80 Å²	80	113.4 Å²	113.4	66%	0.661	62%	0.62	S	S	*	*	H	α-helix	trans	-68	-23.7	175.9	0	0	0	0	0	113.6	V591 R592 T593	V591-A595 WeakPolarHBondContact O-CB 3.42Å; V591-A595 PolarHBondContact O-N 2.87Å; R592-A595 PolarHBondContact O-N 3.49Å; T593-A595 PolarHBondContact O-N 3.31Å
596	N	54.3	Low	53.3	Low	133 Å²	133	116.3 Å²	116.3	71%	0.711	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.5	1	178.3	-74.6	-25.7	0	0	0	113.7	R592 T593 L594 P598	R592-N596 PolarHBondContact O-N 3.38Å; R592-N596 PolarHBondContact O-ND2 2.96Å; T593-N596 PolarHBondContact O-N 3.46Å; L594-N596 VanDerWaalsContact C-N 3.26Å; L594-N596 PolarHBondContact O-N 2.92Å; N596-P598 VanDerWaalsContact O-CD 3.23Å; N596-P598 WeakPolarHBondContact O-CD 3.49Å
597	V	45.6	Very low	51.6	Low	94 Å²	94	122.4 Å²	122.4	57%	0.57	65%	0.649	S	S	*	*	S	Bend	trans	-71.4	114.5	172.8	-178.7	0	0	0	0	108.3	T593 L594 Q599	T593-V597 WeakPolarHBondContact O-CG2 3.36Å; T593-V597 PolarHBondContact O-N 3.05Å; L594-V597 PolarHBondContact O-N 3.41Å; V597-Q599 PolarHBondContact O-N 3.17Å
598	P	37.8	Very low	50.2	Low	99 Å²	99	128.8 Å²	128.8	64%	0.643	67%	0.67	S	S	*	*			trans	-62.6	127	177.5	-14.8	28.7	0	0	0	108.7	N596 R600	N596-P598 VanDerWaalsContact O-CD 3.23Å; N596-P598 WeakPolarHBondContact O-CD 3.49Å; P598-R600 VanDerWaalsContact C-N 3.25Å; P598-R600 PolarHBondContact O-N 2.84Å
599	Q	41.5	Very low	49.2	Very low	194 Å²	194	133.7 Å²	133.7	91%	0.907	69%	0.694	S	S	*	*			trans	-59.5	89.1	169.3	-76.2	-169	-13.7	0	0	109.3	V597 F601	V597-Q599 PolarHBondContact O-N 3.17Å; Q599-F601 PolarHBondContact O-N 3.07Å; Q599-F601 VanDerWaalsContact O-N 3.16Å
600	R	38.3	Very low	47.7	Very low	230 Å²	230	139.6 Å²	139.6	87%	0.868	74%	0.74	S	S	*	*			trans	-78.2	96.5	167.6	-84	-174.1	175.1	173.6	-0.4	108.1	P598	P598-R600 VanDerWaalsContact C-N 3.25Å; P598-R600 PolarHBondContact O-N 2.84Å
601	F	33.4	Very low	46.6	Very low	172 Å²	172	142.9 Å²	142.9	75%	0.754	75%	0.754	S	S	*	*			trans	21.8	104.3	145.7	-76.6	-87.8	0	0	0	117.1	Q599 K603	Q599-F601 PolarHBondContact O-N 3.07Å; Q599-F601 VanDerWaalsContact O-N 3.16Å; F601-K603 HydrophobicContact CD1-CD 4.39Å; F601-K603 HydrophobicContact CD1-CG 4.11Å
602	V	37.3	Very low	45.6	Very low	147 Å²	147	145.9 Å²	145.9	89%	0.891	77%	0.767	S	S	*	*			trans	-108.3	89.1	145.6	-178.1	0	0	0	0	106.6	G604	V602-G604 PolarHBondContact O-N 2.65Å
603	K	33.2	Very low	44.2	Very low	180 Å²	180	145.2 Å²	145.2	78%	0.783	78%	0.776	S	S	*	*			trans	-74.5	108.3	163.8	-91.4	-178.2	175.2	-164.8	0	107.5	F601	F601-K603 HydrophobicContact CD1-CD 4.39Å; F601-K603 HydrophobicContact CD1-CG 4.11Å
604	G	38.1	Very low	42.7	Very low	57 Å²	57	148.3 Å²	148.3	59%	0.588	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-92.1	153.5	159.2	0	0	0	0	0	109.8	V602	V602-G604 PolarHBondContact O-N 2.65Å
605	P	38	Very low	41.3	Very low	114 Å²	114	150.1 Å²	150.1	74%	0.74	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-73.1	133.3	-153.1	30.1	-33.9	0	0	0	112.9	Y607	P605-Y607 PolarHBondContact O-N 2.86Å
606	E	37.4	Very low	40.2	Very low	184 Å²	184	154.7 Å²	154.7	86%	0.86	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-61.2	120.2	162	-75.4	169.3	158.6	0	0	108.9
607	Y	41.1	Very low	39.2	Very low	213 Å²	213	156.3 Å²	156.3	84%	0.835	82%	0.815	S	S	*	*			trans	-84.4	100.1	158.5	-90.7	-92.2	0	0	0	107.5	P605	P605-Y607 PolarHBondContact O-N 2.86Å
608	E	35.9	Very low	38.7	Very low	186 Å²	186	161.1 Å²	161.1	87%	0.869	83%	0.834	S	S	*	*			trans	-72.4	119.5	155.2	-85.2	-175.8	150.4	0	0	108.2
609	V	47.4	Very low	38.8	Very low	131 Å²	131	166.3 Å²	166.3	79%	0.794	85%	0.85	S	S	*	*			trans	-107.1	129.6	157.4	-179.7	0	0	0	0	106.4
610	S	43.8	Very low	38.5	Very low	187 Å²	187	163.7 Å²	163.7	100%	1.308	85%	0.845	S	S	*	*			trans	-56	0	179.2	-42.3	0	0	0	0	114.5

Retrieved 610 of 610 residues in 166.1 ms (Link to these results)

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