A0A077ZCG5_TRITR Loading...

Pyruvate dehydrogenase E1 component subunit beta

The pyruvate dehydrogenase complex catalyzes the overall conversion of pyruvate to acetyl-CoA and CO2.

AlphaFold DB , UniProt , Accession A0A077ZCG5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 443 aa.

Structure Viewer

Loading PAE data...

(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	44.2	Very low	37.1	Very low	204 Å²	204	133.3 Å²	133.3	100%	1.005	66%	0.659	S	S	*	*				0	-38.4	0	-92.3	178.8	-140.8	0	0	113.4
2	F	38.5	Very low	36.7	Very low	202 Å²	202	132.3 Å²	132.3	89%	0.886	66%	0.657	S	S	*	*	H	α-helix	trans	-75.7	-17.7	179.5	-85.9	-88.2	0	0	0	116.2
3	S	43.9	Very low	36.6	Very low	94 Å²	94	133.5 Å²	133.5	66%	0.657	66%	0.66	S	S	*	*	H	α-helix	trans	-82.9	-29.6	179.1	58.2	0	0	0	0	114.1	W5 R6 Q7	S3-W5 VanDerWaalsContact C-N 3.34Å; S3-R6 PolarHBondContact O-N 3.08Å; S3-Q7 PolarHBondContact O-N 3.08Å
4	A	40.7	Very low	36.8	Very low	48 Å²	48	133.4 Å²	133.4	40%	0.397	66%	0.664	S	S	.	*	H	α-helix	trans	-70.9	-29.7	179.4	0	0	0	0	0	112.4	Q7 L8	A4-Q7 PolarHBondContact O-N 2.8Å; A4-L8 WeakPolarHBondContact O-CD1 3.38Å; A4-L8 PolarHBondContact O-N 2.69Å; A4-L8 VanDerWaalsContact O-N 3.14Å
5	W	34.1	Very low	37	Very low	202 Å²	202	134 Å²	134	77%	0.765	67%	0.666	S	S	*	*	H	α-helix	trans	-72	-27.1	176.4	-80.9	83	0	0	0	113.4	S3 S9	S3-W5 VanDerWaalsContact C-N 3.34Å; W5-S9 PolarHBondContact O-N 3.06Å; W5-S9 VanDerWaalsContact O-N 3.11Å
6	R	33	Very low	37.9	Very low	199 Å²	199	128.9 Å²	128.9	75%	0.751	65%	0.647	S	S	*	*	H	α-helix	trans	-77.6	-26.9	173.1	-97.1	-175.2	175.3	-147.9	-1.6	113.4	S3 S9 V10	S3-R6 PolarHBondContact O-N 3.08Å; R6-S9 PolarHBondContact O-OG 3.09Å; R6-V10 VanDerWaalsContact O-CG2 3.32Å; R6-V10 WeakPolarHBondContact O-CG2 3.29Å; R6-V10 PolarHBondContact O-N 2.76Å
7	Q	36.5	Very low	39.4	Very low	144 Å²	144	126.9 Å²	126.9	67%	0.673	64%	0.638	S	S	*	*	H	α-helix	trans	-77.6	-31.4	172	-86	177	-24.6	0	0	111.8	S3 A4 L11	S3-Q7 PolarHBondContact O-N 3.08Å; A4-Q7 PolarHBondContact O-N 2.8Å; Q7-L11 WeakPolarHBondContact O-CD1 3.39Å; Q7-L11 WeakPolarHBondContact O-CG 3.47Å; Q7-L11 PolarHBondContact O-N 3.46Å
8	L	35.1	Very low	41.5	Very low	102 Å²	102	122.8 Å²	122.8	53%	0.534	62%	0.616	S	S	.	*	H	α-helix	trans	-72.1	-33.7	172	-97.5	111.9	0	0	0	113.4	A4 V10 L11 L12	A4-L8 WeakPolarHBondContact O-CD1 3.38Å; A4-L8 PolarHBondContact O-N 2.69Å; A4-L8 VanDerWaalsContact O-N 3.14Å; L8-V10 VanDerWaalsContact C-N 3.32Å; L8-V10 PolarHBondContact O-N 2.95Å; L8-L11 PolarHBondContact O-N 2.93Å; L8-L12 WeakPolarHBondContact O-CB 3.5Å; L8-L12 WeakPolarHBondContact O-CD1 3.32Å; L8-L12 VanDerWaalsContact O-CG 3.32Å; L8-L12 WeakPolarHBondContact O-CG 3.48Å; L8-L12 PolarHBondContact O-N 2.86Å
9	S	33.3	Very low	43.5	Very low	53 Å²	53	119.8 Å²	119.8	37%	0.371	60%	0.599	S	S	.	*	H	α-helix	trans	-67.6	-32.9	175.6	70	0	0	0	0	112.7	W5 R6 L12 E13	W5-S9 PolarHBondContact O-N 3.06Å; W5-S9 VanDerWaalsContact O-N 3.11Å; R6-S9 PolarHBondContact O-OG 3.09Å; S9-L12 PolarHBondContact O-N 3.42Å; S9-E13 PolarHBondContact O-N 3.4Å
10	V	34.9	Very low	45.5	Very low	90 Å²	90	115.1 Å²	115.1	55%	0.545	58%	0.576	S	S	.	*	H	α-helix	trans	-76.4	-23.2	175.5	176.2	0	0	0	0	112.2	R6 L8	R6-V10 VanDerWaalsContact O-CG2 3.32Å; R6-V10 WeakPolarHBondContact O-CG2 3.29Å; R6-V10 PolarHBondContact O-N 2.76Å; L8-V10 VanDerWaalsContact C-N 3.32Å; L8-V10 PolarHBondContact O-N 2.95Å
11	L	33.6	Very low	47.7	Very low	128 Å²	128	114.1 Å²	114.1	67%	0.67	57%	0.569	S	S	*	*	H	α-helix	trans	-84	-22.4	173.3	-75.6	163.7	0	0	0	113	Q7 L8	Q7-L11 WeakPolarHBondContact O-CD1 3.39Å; Q7-L11 WeakPolarHBondContact O-CG 3.47Å; Q7-L11 PolarHBondContact O-N 3.46Å; L8-L11 PolarHBondContact O-N 2.93Å
12	L	33	Very low	49.8	Very low	121 Å²	121	104.6 Å²	104.6	63%	0.634	52%	0.523	S	S	*	.	H	α-helix	trans	-87	-20.1	177.1	-74.5	163.6	0	0	0	113.1	L8 S9 N14	L8-L12 WeakPolarHBondContact O-CB 3.5Å; L8-L12 WeakPolarHBondContact O-CD1 3.32Å; L8-L12 VanDerWaalsContact O-CG 3.32Å; L8-L12 WeakPolarHBondContact O-CG 3.48Å; L8-L12 PolarHBondContact O-N 2.86Å; S9-L12 PolarHBondContact O-N 3.42Å; L12-N14 VanDerWaalsContact C-N 3.26Å; L12-N14 PolarHBondContact O-N 2.87Å
13	E	34.5	Very low	52.3	Low	149 Å²	149	99 Å²	99	70%	0.696	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-10.9	174.1	-82	171.9	168.5	0	0	113.7	S9	S9-E13 PolarHBondContact O-N 3.4Å
14	N	40.2	Very low	54.7	Low	132 Å²	132	94.9 Å²	94.9	71%	0.706	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	18.2	-178.7	-81.5	-3.8	0	0	0	114.9	L12	L12-N14 VanDerWaalsContact C-N 3.26Å; L12-N14 PolarHBondContact O-N 2.87Å
15	M	39.8	Very low	57	Low	142 Å²	142	100.5 Å²	100.5	70%	0.7	49%	0.488	S	S	*	.			trans	-101.2	35.4	172.4	-71.7	-170.5	66.8	0	0	112.5	I17	M15-I17 PolarHBondContact O-N 3.25Å
16	S	51	Low	59.8	Low	53 Å²	53	94.2 Å²	94.2	37%	0.371	47%	0.469	S	S	.	.			trans	-59.4	110.6	164.1	47.3	0	0	0	0	108	F18	S16-F18 VanDerWaalsContact O-CD2 3.25Å; S16-F18 WeakPolarHBondContact O-CD2 3.4Å; S16-F18 WeakPolarHBondContact O-CE2 3.44Å; S16-F18 PolarHBondContact O-N 3.22Å; S16-F18 VanDerWaalsContact OG-CZ 3.24Å; S16-F18 WeakPolarHBondContact OG-CZ 3.26Å
17	I	63.8	Low	62.7	Low	95 Å²	95	85.4 Å²	85.4	49%	0.487	44%	0.437	S	S	.	.			trans	-74	100.7	-179.1	-54.6	177.1	0	0	0	106.9	M15 V235	M15-I17 PolarHBondContact O-N 3.25Å; I17-V235 HydrophobicContact CD1-CG1 3.69Å; I17-V235 HydrophobicContact CG2-CB 4.37Å; I17-V235 HydrophobicContact CG2-CG1 4.09Å; I17-V235 HydrophobicContact CG2-CG2 4.23Å
18	F	77.2	Confident	65.4	Low	53 Å²	53	84.8 Å²	84.8	23%	0.232	43%	0.434	C	S	.	.			trans	-71.7	140.6	173.1	-57.4	-74.8	0	0	0	109.9	S16 V59 I68 R70	S16-F18 VanDerWaalsContact O-CD2 3.25Å; S16-F18 WeakPolarHBondContact O-CD2 3.4Å; S16-F18 WeakPolarHBondContact O-CE2 3.44Å; S16-F18 PolarHBondContact O-N 3.22Å; S16-F18 VanDerWaalsContact OG-CZ 3.24Å; S16-F18 WeakPolarHBondContact OG-CZ 3.26Å; F18-V59 HydrophobicContact CE1-CB 4.47Å; F18-V59 HydrophobicContact CE1-CG1 4.07Å; F18-V59 HydrophobicContact CE1-CG2 3.72Å; F18-V59 HydrophobicContact CZ-CG2 4.25Å; F18-I68 HydrophobicContact CD1-CD1 4.05Å; F18-I68 HydrophobicContact CD1-CG1 4.25Å; F18-I68 HydrophobicContact CE1-CD1 4.22Å; F18-R70 HydrophobicContact CB-CB 4.44Å; F18-R70 HydrophobicContact CD1-CB 3.73Å; F18-R70 HydrophobicContact CD2-CB 4.14Å; F18-R70 HydrophobicContact CE1-CB 3.92Å; F18-R70 HydrophobicContact CE1-CG 4.25Å; F18-R70 HydrophobicContact CE2-CB 4.32Å; F18-R70 HydrophobicContact CE2-CG 4.44Å; F18-R70 HydrophobicContact CG-CB 3.84Å; F18-R70 HydrophobicContact CZ-CB 4.21Å; F18-R70 HydrophobicContact CZ-CG 4.19Å
19	H	79.2	Confident	68.3	Low	65 Å²	65	84.2 Å²	84.2	30%	0.301	43%	0.425	S	S	.	.	S	Bend	trans	-66.4	-38.5	171.6	177	61.8	0	0	0	111.5	P41 F46 I68 V69	H19-P41 VanDerWaalsContact NE2-CG 3.32Å; H19-P41 WeakPolarHBondContact NE2-CG 3.46Å; H19-F46 HydrophobicContact CB-CZ 4.46Å; H19-F46 AromaticContact CD2-CZ 3.64Å; H19-I68 VanDerWaalsContact CB-O 3.29Å; H19-I68 WeakPolarHBondContact CB-O 3.26Å; H19-I68 PolarHBondContact N-O 3.05Å; H19-V69 HydrophobicContact CB-CG1 4.09Å
20	D	83.7	Confident	71.1	Confident	26 Å²	26	84 Å²	84	14%	0.139	42%	0.419	C	S	.	.			trans	-158.3	167.9	172.3	-146.3	-6.8	0	0	0	109.9	I22 V69 R70 R119	D20-I22 HydrophobicContact CB-CD1 4.38Å; D20-I22 HydrophobicContact CB-CG1 4.14Å; D20-V69 HydrophobicContact CB-CG1 4.33Å; D20-V69 WeakPolarHBondContact O-CA 3.12Å; D20-R70 PolarHBondContact O-N 3.3Å; D20-R119 IonicContact OD1-CZ 2.71Å; D20-R119 IonicContact OD1-NH1 3.14Å; D20-R119 PolarHBondContact OD1-NH1 2.81Å; D20-R119 IonicContact OD1-NH2 2.68Å; D20-R119 PolarHBondContact OD1-NH2 2.74Å; D20-R119 IonicContact OD2-CZ 3.64Å; D20-R119 IonicContact OD2-NH2 2.79Å; D20-R119 PolarHBondContact OD2-NH2 3Å
21	E	90.5	Very high	73.8	Confident	94 Å²	94	84.1 Å²	84.1	44%	0.439	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	124.9	163.9	-53	-166.9	145.5	0	0	108.7	R70 I72	E21-R70 CarbonylContact C-O 3.59Å; E21-R70 WeakPolarHBondContact CA-O 3.43Å; E21-R70 HydrophobicContact CB-CB 4.36Å; E21-R70 HydrophobicContact CG-CB 4.02Å; E21-R70 WeakPolarHBondContact OE1-CD 3.34Å; E21-R70 IonicContact OE1-NH1 2.74Å; E21-I72 HydrophobicContact CB-CD1 3.88Å; E21-I72 HydrophobicContact CB-CG1 4.21Å
22	I	89.3	Confident	76.5	Confident	5 Å²	5	86.7 Å²	86.7	3%	0.026	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	128.6	-169.3	-57.9	163.1	0	0	0	109.2	D20 D26 F27 Y38 V69 R70 V71 I72	D20-I22 HydrophobicContact CB-CD1 4.38Å; D20-I22 HydrophobicContact CB-CG1 4.14Å; I22-D26 HydrophobicContact CG2-CB 3.87Å; I22-F27 HydrophobicContact CB-CE2 3.73Å; I22-F27 HydrophobicContact CB-CZ 4.41Å; I22-F27 HydrophobicContact CG2-CD2 3.85Å; I22-F27 HydrophobicContact CG2-CE2 3.42Å; I22-F27 VanDerWaalsContact CG2-CE2 3.42Å; I22-F27 HydrophobicContact CG2-CZ 4.36Å; I22-Y38 HydrophobicContact CD1-CD1 3.39Å; I22-Y38 HydrophobicContact CD1-CD2 4.26Å; I22-Y38 HydrophobicContact CD1-CE1 3.33Å; I22-Y38 HydrophobicContact CD1-CE2 4.23Å; I22-Y38 HydrophobicContact CD1-CG 3.84Å; I22-Y38 HydrophobicContact CG1-CE1 4.25Å; I22-Y38 HydrophobicContact CG2-CD2 3.84Å; I22-Y38 HydrophobicContact CG2-CE2 3.69Å; I22-Y38 HydrophobicContact CG2-CG 4.4Å; I22-V69 HydrophobicContact CD1-CB 3.84Å; I22-V69 HydrophobicContact CD1-CG1 3.75Å; I22-V69 HydrophobicContact CD1-CG2 3.94Å; I22-R70 PolarHBondContact N-O 2.92Å; I22-V71 CarbonylContact O-C 3.57Å; I22-V71 WeakPolarHBondContact O-CA 3.47Å; I22-I72 PolarHBondContact O-N 3.31Å
23	E	91.9	Very high	79.3	Confident	84 Å²	84	84.6 Å²	84.6	39%	0.393	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	137.3	173.5	-61	-69.6	169	0	0	110.1	E25 D26 I72	E23-E25 PolarHBondContact O-N 2.91Å; E23-D26 WeakPolarHBondContact O-CB 3.49Å; E23-D26 PolarHBondContact O-N 3.43Å; E23-I72 CarbonylContact C-O 3.58Å; E23-I72 WeakPolarHBondContact CA-O 3.41Å; E23-I72 WeakPolarHBondContact OE2-CB 3.29Å; E23-I72 WeakPolarHBondContact OE2-CG2 3.38Å
24	I	92.5	Very high	82.1	Confident	7 Å²	7	82.3 Å²	82.3	4%	0.036	41%	0.412	C	S	.	.	G	3₁₀ helix	trans	-56.5	-25.9	-179.1	-170.8	63.5	0	0	0	112.9	D26 F27 Y36 L53 V71 I72 M77	I24-D26 PolarHBondContact O-N 2.8Å; I24-F27 HydrophobicContact CD1-CB 4.48Å; I24-F27 HydrophobicContact CD1-CD2 4.47Å; I24-F27 HydrophobicContact CD1-CG 4.47Å; I24-F27 WeakPolarHBondContact O-CB 3.39Å; I24-F27 PolarHBondContact O-N 3.32Å; I24-F27 VanDerWaalsContact O-N 3.14Å; I24-Y36 HydrophobicContact CD1-CD1 3.54Å; I24-Y36 HydrophobicContact CD1-CD2 4.03Å; I24-Y36 HydrophobicContact CD1-CE1 3.78Å; I24-Y36 HydrophobicContact CD1-CE2 4.24Å; I24-Y36 HydrophobicContact CD1-CG 3.67Å; I24-Y36 HydrophobicContact CG1-CD1 4.16Å; I24-Y36 HydrophobicContact CG1-CE1 3.94Å; I24-L53 HydrophobicContact CD1-CD1 3.62Å; I24-L53 HydrophobicContact CG1-CD1 4.46Å; I24-V71 HydrophobicContact CB-CG1 4.15Å; I24-V71 HydrophobicContact CD1-CG1 3.75Å; I24-I72 PolarHBondContact N-O 3.25Å; I24-M77 HydrophobicContact CG2-CE 3.97Å; I24-M77 HydrophobicContact CG2-SD 3.98Å
25	E	90.6	Very high	84.7	Confident	167 Å²	167	76.6 Å²	76.6	78%	0.78	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-66.7	-21.7	177.1	-61.2	170	-175	0	0	113.1	E23	E23-E25 PolarHBondContact O-N 2.91Å
26	D	91.8	Very high	87.3	Confident	69 Å²	69	71.2 Å²	71.2	37%	0.369	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-86.5	-7.9	175.3	-72.3	-43.8	0	0	0	112.5	I22 E23 I24 Y38 K154	I22-D26 HydrophobicContact CG2-CB 3.87Å; E23-D26 WeakPolarHBondContact O-CB 3.49Å; E23-D26 PolarHBondContact O-N 3.43Å; I24-D26 PolarHBondContact O-N 2.8Å; D26-Y38 HydrophobicContact CB-CE2 4.08Å; D26-Y38 WeakPolarHBondContact O-CD2 3.49Å; D26-K154 IonicContact OD1-NZ 3.96Å; D26-K154 PolarHBondContact OD1-NZ 3.1Å; D26-K154 IonicContact OD2-NZ 3.1Å; D26-K154 PolarHBondContact OD2-NZ 3.24Å
27	F	94.1	Very high	89.4	Confident	15 Å²	15	70 Å²	70	7%	0.066	34%	0.343	C	S	.	.	S	Bend	trans	-83.7	144	175.8	-77.1	-113.1	0	0	0	111.8	I22 I24 Y36 H37 Y38 I48 A60 V69 V71	I22-F27 HydrophobicContact CB-CE2 3.73Å; I22-F27 HydrophobicContact CB-CZ 4.41Å; I22-F27 HydrophobicContact CG2-CD2 3.85Å; I22-F27 HydrophobicContact CG2-CE2 3.42Å; I22-F27 VanDerWaalsContact CG2-CE2 3.42Å; I22-F27 HydrophobicContact CG2-CZ 4.36Å; I24-F27 HydrophobicContact CD1-CB 4.48Å; I24-F27 HydrophobicContact CD1-CD2 4.47Å; I24-F27 HydrophobicContact CD1-CG 4.47Å; I24-F27 WeakPolarHBondContact O-CB 3.39Å; I24-F27 PolarHBondContact O-N 3.32Å; I24-F27 VanDerWaalsContact O-N 3.14Å; F27-Y36 HydrophobicContact CB-CD1 3.92Å; F27-Y36 HydrophobicContact CB-CG 4.39Å; F27-H37 CarbonylContact C-O 3.59Å; F27-H37 WeakPolarHBondContact CA-O 3.5Å; F27-H37 VanDerWaalsContact CD1-C 3.45Å; F27-Y38 HydrophobicContact CD2-CD2 4.44Å; F27-I48 HydrophobicContact CE1-CG2 4.42Å; F27-A60 HydrophobicContact CE1-CB 4.1Å; F27-A60 HydrophobicContact CZ-CB 4.25Å; F27-V69 HydrophobicContact CZ-CG2 4.13Å; F27-V71 HydrophobicContact CE1-CG2 4.46Å; F27-V71 HydrophobicContact CE2-CG1 4.12Å; F27-V71 HydrophobicContact CE2-CG2 4.18Å; F27-V71 HydrophobicContact CZ-CG1 4.46Å; F27-V71 HydrophobicContact CZ-CG2 3.76Å
28	E	93.8	Very high	90.9	Very high	131 Å²	131	66.8 Å²	66.8	61%	0.612	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.5	120	168.4	-67.4	-176.9	168.3	0	0	110.1	H37	E28-H37 PolarHBondContact N-O 3.43Å; E28-H37 PolarHBondContact O-N 3.08Å
29	Y	95.1	Very high	91.6	Very high	90 Å²	90	67.2 Å²	67.2	35%	0.353	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	125.2	178	-179.3	-113.9	0	0	0	112	P31 Y36 K50	Y29-P31 HydrophobicContact CE1-CB 4.09Å; Y29-Y36 AromaticContact CD2-CD1 3.91Å; Y29-Y36 HydrophobicContact CD2-CD1 3.91Å; Y29-Y36 AromaticContact CD2-CD2 3.95Å; Y29-Y36 HydrophobicContact CD2-CD2 3.95Å; Y29-Y36 AromaticContact CD2-CE1 3.68Å; Y29-Y36 HydrophobicContact CD2-CE1 3.68Å; Y29-Y36 AromaticContact CD2-CE2 3.72Å; Y29-Y36 HydrophobicContact CD2-CE2 3.72Å; Y29-Y36 HydrophobicContact CD2-CG 4.05Å; Y29-Y36 AromaticContact CD2-CZ 3.58Å; Y29-Y36 HydrophobicContact CE2-CD2 4.38Å; Y29-Y36 AromaticContact CE2-CE2 3.96Å; Y29-Y36 HydrophobicContact CE2-CE2 3.96Å; Y29-Y36 HydrophobicContact CG-CD1 4.38Å; Y29-Y36 HydrophobicContact CG-CE1 4.03Å; Y29-K50 HydrophobicContact CE2-CB 4.46Å
30	D	92.8	Very high	92	Very high	47 Å²	47	64.3 Å²	64.3	25%	0.251	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	111.6	170.6	179.3	0.7	0	0	0	110.4	E32 T33 E34 T35	D30-E32 VanDerWaalsContact C-N 3.31Å; D30-E32 PolarHBondContact O-N 2.91Å; D30-E32 PolarHBondContact OD1-N 3.48Å; D30-T33 WeakPolarHBondContact CB-OG1 3.43Å; D30-T33 WeakPolarHBondContact OD2-CG2 3.3Å; D30-T33 PolarHBondContact OD2-OG1 3.05Å; D30-E34 VanDerWaalsContact O-CA 3.26Å; D30-E34 WeakPolarHBondContact O-CA 3.48Å; D30-E34 PolarHBondContact O-N 2.7Å; D30-T35 PolarHBondContact N-O 3.08Å; D30-T35 PolarHBondContact O-N 2.99Å
31	P	91.3	Very high	92	Very high	93 Å²	93	66.7 Å²	66.7	60%	0.604	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-17.6	-179.5	30.4	-35.5	0	0	0	114.2	Y29	Y29-P31 HydrophobicContact CE1-CB 4.09Å
32	E	90	Very high	91.7	Very high	182 Å²	182	65.3 Å²	65.3	85%	0.85	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-37.8	179.6	-65.2	-169.4	171	0	0	111.8	D30	D30-E32 VanDerWaalsContact C-N 3.31Å; D30-E32 PolarHBondContact O-N 2.91Å; D30-E32 PolarHBondContact OD1-N 3.48Å
33	T	91.9	Very high	91.6	Very high	78 Å²	78	68.7 Å²	68.7	48%	0.479	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-9.3	179.1	57.3	0	0	0	0	113.3	D30 T35	D30-T33 WeakPolarHBondContact CB-OG1 3.43Å; D30-T33 WeakPolarHBondContact OD2-CG2 3.3Å; D30-T33 PolarHBondContact OD2-OG1 3.05Å; T33-T35 PolarHBondContact O-N 3.45Å; T33-T35 PolarHBondContact O-OG1 3.36Å; T33-T35 WeakPolarHBondContact OG1-CB 3.44Å; T33-T35 PolarHBondContact OG1-OG1 3.2Å
34	E	93.6	Very high	91.6	Very high	100 Å²	100	67 Å²	67	47%	0.467	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.8	37.6	-169.2	-58.7	-166.3	122.9	0	0	112.8	D30 K50	D30-E34 VanDerWaalsContact O-CA 3.26Å; D30-E34 WeakPolarHBondContact O-CA 3.48Å; D30-E34 PolarHBondContact O-N 2.7Å; E34-K50 HydrophobicContact CB-CB 4.25Å; E34-K50 WeakPolarHBondContact O-CB 3.2Å; E34-K50 PolarHBondContact O-N 3.15Å
35	T	94.4	Very high	91.7	Very high	13 Å²	13	70.9 Å²	70.9	8%	0.08	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	137	-174.1	-56.1	0	0	0	0	111.9	D30 T33 H37 E47	D30-T35 PolarHBondContact N-O 3.08Å; D30-T35 PolarHBondContact O-N 2.99Å; T33-T35 PolarHBondContact O-N 3.45Å; T33-T35 PolarHBondContact O-OG1 3.36Å; T33-T35 WeakPolarHBondContact OG1-CB 3.44Å; T33-T35 PolarHBondContact OG1-OG1 3.2Å; T35-H37 PolarHBondContact O-CE1 3.17Å; T35-H37 PolarHBondContact O-ND1 3.21Å; T35-E47 HydrophobicContact CG2-CB 4.07Å; T35-E47 HydrophobicContact CG2-CG 4.49Å
36	Y	95.7	Very high	91.9	Very high	29 Å²	29	63 Å²	63	11%	0.114	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	133	169.4	-68.9	-89.8	0	0	0	109.8	I24 F27 Y29 E47 I48 K50 L53 F78	I24-Y36 HydrophobicContact CD1-CD1 3.54Å; I24-Y36 HydrophobicContact CD1-CD2 4.03Å; I24-Y36 HydrophobicContact CD1-CE1 3.78Å; I24-Y36 HydrophobicContact CD1-CE2 4.24Å; I24-Y36 HydrophobicContact CD1-CG 3.67Å; I24-Y36 HydrophobicContact CG1-CD1 4.16Å; I24-Y36 HydrophobicContact CG1-CE1 3.94Å; F27-Y36 HydrophobicContact CB-CD1 3.92Å; F27-Y36 HydrophobicContact CB-CG 4.39Å; Y29-Y36 AromaticContact CD2-CD1 3.91Å; Y29-Y36 HydrophobicContact CD2-CD1 3.91Å; Y29-Y36 AromaticContact CD2-CD2 3.95Å; Y29-Y36 HydrophobicContact CD2-CD2 3.95Å; Y29-Y36 AromaticContact CD2-CE1 3.68Å; Y29-Y36 HydrophobicContact CD2-CE1 3.68Å; Y29-Y36 AromaticContact CD2-CE2 3.72Å; Y29-Y36 HydrophobicContact CD2-CE2 3.72Å; Y29-Y36 HydrophobicContact CD2-CG 4.05Å; Y29-Y36 AromaticContact CD2-CZ 3.58Å; Y29-Y36 HydrophobicContact CE2-CD2 4.38Å; Y29-Y36 AromaticContact CE2-CE2 3.96Å; Y29-Y36 HydrophobicContact CE2-CE2 3.96Å; Y29-Y36 HydrophobicContact CG-CD1 4.38Å; Y29-Y36 HydrophobicContact CG-CE1 4.03Å; Y36-E47 WeakPolarHBondContact O-CA 3.49Å; Y36-I48 PolarHBondContact N-O 2.73Å; Y36-I48 PolarHBondContact O-N 3.31Å; Y36-I48 VanDerWaalsContact O-N 3.08Å; Y36-K50 HydrophobicContact CE2-CB 4.19Å; Y36-L53 HydrophobicContact CD2-CD1 3.54Å; Y36-L53 HydrophobicContact CE2-CD1 3.58Å; Y36-L53 HydrophobicContact CG-CD1 4.38Å; Y36-F78 HydrophobicContact CE2-CE1 4.37Å; Y36-F78 HydrophobicContact CE2-CZ 4.3Å
37	H	95.3	Very high	92.1	Very high	26 Å²	26	63.5 Å²	63.5	12%	0.12	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	141.9	-178.8	-53.5	85.7	0	0	0	111.9	F27 E28 T35 K45 F46 E47	F27-H37 CarbonylContact C-O 3.59Å; F27-H37 WeakPolarHBondContact CA-O 3.5Å; F27-H37 VanDerWaalsContact CD1-C 3.45Å; E28-H37 PolarHBondContact N-O 3.43Å; E28-H37 PolarHBondContact O-N 3.08Å; T35-H37 PolarHBondContact O-CE1 3.17Å; T35-H37 PolarHBondContact O-ND1 3.21Å; H37-K45 HydrophobicContact CB-CB 4.29Å; H37-K45 HydrophobicContact CB-CD 3.79Å; H37-F46 CarbonylContact C-O 3.13Å; H37-F46 VanDerWaalsContact CA-O 3.29Å; H37-F46 WeakPolarHBondContact CA-O 3.48Å; H37-E47 IonicContact CD2-OE1 3.02Å; H37-E47 IonicContact NE2-OE1 2.72Å
38	Y	93.9	Very high	92.1	Very high	29 Å²	29	62.8 Å²	62.8	11%	0.114	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	138.6	170.9	-171.3	-92.7	0	0	0	110.7	I22 D26 F27 C40 K45 F46 K151	I22-Y38 HydrophobicContact CD1-CD1 3.39Å; I22-Y38 HydrophobicContact CD1-CD2 4.26Å; I22-Y38 HydrophobicContact CD1-CE1 3.33Å; I22-Y38 HydrophobicContact CD1-CE2 4.23Å; I22-Y38 HydrophobicContact CD1-CG 3.84Å; I22-Y38 HydrophobicContact CG1-CE1 4.25Å; I22-Y38 HydrophobicContact CG2-CD2 3.84Å; I22-Y38 HydrophobicContact CG2-CE2 3.69Å; I22-Y38 HydrophobicContact CG2-CG 4.4Å; D26-Y38 HydrophobicContact CB-CE2 4.08Å; D26-Y38 WeakPolarHBondContact O-CD2 3.49Å; F27-Y38 HydrophobicContact CD2-CD2 4.44Å; Y38-C40 PolarHBondContact O-N 3.46Å; Y38-K45 CarbonylContact O-C 3.45Å; Y38-K45 VanDerWaalsContact O-CA 3.24Å; Y38-K45 WeakPolarHBondContact O-CA 3.44Å; Y38-F46 AromaticContact CD1-CD2 3.99Å; Y38-F46 HydrophobicContact CD1-CD2 3.99Å; Y38-F46 HydrophobicContact CD1-CE2 4.46Å; Y38-F46 PolarHBondContact N-O 3.5Å; Y38-F46 PolarHBondContact O-N 2.94Å; Y38-K151 WeakPolarHBondContact OH-CE 3.18Å
39	P	92.3	Very high	92.2	Very high	62 Å²	62	58.6 Å²	58.6	40%	0.403	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	133.2	-178.7	-25	34.4	0	0	0	113.4	Y146	P39-Y146 HydrophobicContact CB-CE2 4.4Å
40	C	88.4	Confident	92	Very high	4 Å²	4	56.8 Å²	56.8	3%	0.027	32%	0.321	C	S	.	.			trans	-100.9	142.2	173.7	-179.8	0	0	0	0	110.8	Y38 C42 G43 D44 F46 C62 C65	Y38-C40 PolarHBondContact O-N 3.46Å; C40-C42 PolarHBondContact O-N 3.18Å; C40-G43 PolarHBondContact O-N 3.39Å; C40-D44 WeakPolarHBondContact CB-O 3.23Å; C40-D44 PolarHBondContact N-O 3.08Å; C40-F46 HydrophobicContact CB-CD2 4.01Å; C40-F46 HydrophobicContact CB-CE2 3.78Å; C40-F46 HydrophobicContact CB-CZ 4.08Å; C40-C62 HydrophobicContact CB-CB 4.22Å; C40-C65 PolarHBondContact SG-SG 3.05Å
41	P	83.8	Confident	91.9	Very high	76 Å²	76	61.7 Å²	61.7	49%	0.494	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-21.4	176.5	-27	34.2	0	0	0	115.3	H19 G43	H19-P41 VanDerWaalsContact NE2-CG 3.32Å; H19-P41 WeakPolarHBondContact NE2-CG 3.46Å; P41-G43 PolarHBondContact O-N 3.36Å
42	C	84	Confident	91.9	Very high	65 Å²	65	59.6 Å²	59.6	44%	0.439	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-4.5	176.1	79.7	0	0	0	0	113.9	C40 C62 C65	C40-C42 PolarHBondContact O-N 3.18Å; C42-C62 VanDerWaalsContact SG-SG 3.65Å; C42-C65 HydrophobicContact CB-CB 3.95Å; C42-C65 VanDerWaalsContact SG-SG 3.65Å
43	G	85.9	Confident	92	Very high	76 Å²	76	51.1 Å²	51.1	78%	0.784	28%	0.283	S	S	*	.	S	Bend	trans	93.7	-0.4	-176.9	0	0	0	0	0	115.2	C40 P41	C40-G43 PolarHBondContact O-N 3.39Å; P41-G43 PolarHBondContact O-N 3.36Å
44	D	92.2	Very high	91.8	Very high	49 Å²	49	51.9 Å²	51.9	26%	0.262	28%	0.281	S	S	.	.	S	Bend	trans	-100.7	-159.6	172.9	-160.7	-0.8	0	0	0	110.5	C40 S64	C40-D44 WeakPolarHBondContact CB-O 3.23Å; C40-D44 PolarHBondContact N-O 3.08Å; D44-S64 WeakPolarHBondContact OD2-CB 3.48Å; D44-S64 PolarHBondContact OD2-N 3.21Å; D44-S64 PolarHBondContact OD2-OG 2.66Å
45	K	94	Very high	91.4	Very high	88 Å²	88	50.6 Å²	50.6	38%	0.383	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	145.7	177.9	-54.3	-174	-173.5	-172.6	0	111.7	H37 Y38 P63	H37-K45 HydrophobicContact CB-CB 4.29Å; H37-K45 HydrophobicContact CB-CD 3.79Å; Y38-K45 CarbonylContact O-C 3.45Å; Y38-K45 VanDerWaalsContact O-CA 3.24Å; Y38-K45 WeakPolarHBondContact O-CA 3.44Å; K45-P63 WeakPolarHBondContact O-CD 3.5Å
46	F	95.5	Very high	91.1	Very high	1 Å²	1	52.6 Å²	52.6	0%	0.004	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	137.1	159	-61.4	-78.3	0	0	0	108.6	H19 H37 Y38 C40 A60 C62 L67 V69	H19-F46 HydrophobicContact CB-CZ 4.46Å; H19-F46 AromaticContact CD2-CZ 3.64Å; H37-F46 CarbonylContact C-O 3.13Å; H37-F46 VanDerWaalsContact CA-O 3.29Å; H37-F46 WeakPolarHBondContact CA-O 3.48Å; Y38-F46 AromaticContact CD1-CD2 3.99Å; Y38-F46 HydrophobicContact CD1-CD2 3.99Å; Y38-F46 HydrophobicContact CD1-CE2 4.46Å; Y38-F46 PolarHBondContact N-O 3.5Å; Y38-F46 PolarHBondContact O-N 2.94Å; C40-F46 HydrophobicContact CB-CD2 4.01Å; C40-F46 HydrophobicContact CB-CE2 3.78Å; C40-F46 HydrophobicContact CB-CZ 4.08Å; F46-A60 HydrophobicContact CB-CB 4.08Å; F46-C62 HydrophobicContact CD1-CB 3.78Å; F46-C62 HydrophobicContact CE1-CB 3.89Å; F46-C62 HydrophobicContact CG-CB 4.49Å; F46-L67 HydrophobicContact CE1-CB 3.62Å; F46-L67 WeakPolarHBondContact CE1-O 3.41Å; F46-L67 HydrophobicContact CZ-CB 4Å; F46-V69 HydrophobicContact CB-CG2 3.93Å; F46-V69 HydrophobicContact CD1-CB 4.47Å; F46-V69 HydrophobicContact CD1-CG1 3.96Å; F46-V69 HydrophobicContact CD1-CG2 3.91Å; F46-V69 HydrophobicContact CD2-CG1 3.96Å; F46-V69 HydrophobicContact CD2-CG2 4.2Å; F46-V69 HydrophobicContact CE1-CG1 3.7Å; F46-V69 HydrophobicContact CE1-CG2 4.5Å; F46-V69 HydrophobicContact CE2-CG1 3.68Å; F46-V69 HydrophobicContact CG-CG1 4.09Å; F46-V69 HydrophobicContact CG-CG2 3.75Å; F46-V69 HydrophobicContact CZ-CG1 3.56Å
47	E	95.3	Very high	90.8	Very high	79 Å²	79	56.1 Å²	56.1	37%	0.369	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	137.1	-176.3	-60.4	-175.4	171.3	0	0	110.7	T35 Y36 H37 A60 E61	T35-E47 HydrophobicContact CG2-CB 4.07Å; T35-E47 HydrophobicContact CG2-CG 4.49Å; Y36-E47 WeakPolarHBondContact O-CA 3.49Å; H37-E47 IonicContact CD2-OE1 3.02Å; H37-E47 IonicContact NE2-OE1 2.72Å; E47-A60 WeakPolarHBondContact O-CA 3.36Å; E47-A60 WeakPolarHBondContact O-CB 3.31Å; E47-E61 PolarHBondContact N-O 2.84Å; E47-E61 PolarHBondContact O-N 3.26Å
48	I	95.1	Very high	90.6	Very high	1 Å²	1	57 Å²	57	1%	0.005	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	130.1	166	-167.6	167.4	0	0	0	109.3	F27 Y36 E52 L53 A60 V71	F27-I48 HydrophobicContact CE1-CG2 4.42Å; Y36-I48 PolarHBondContact N-O 2.73Å; Y36-I48 PolarHBondContact O-N 3.31Å; Y36-I48 VanDerWaalsContact O-N 3.08Å; I48-E52 HydrophobicContact CG1-CB 3.91Å; I48-L53 HydrophobicContact CD1-CD2 3.64Å; I48-L53 HydrophobicContact CD1-CG 3.9Å; I48-L53 HydrophobicContact CG1-CD2 4.38Å; I48-L53 HydrophobicContact CG1-CG 4.11Å; I48-L53 HydrophobicContact CG2-CD1 4.16Å; I48-L53 HydrophobicContact CG2-CG 4.33Å; I48-A60 HydrophobicContact CB-CB 3.79Å; I48-A60 HydrophobicContact CG2-CB 4.1Å; I48-V71 HydrophobicContact CD1-CG2 4.16Å; I48-V71 HydrophobicContact CG2-CG2 4.17Å
49	T	95.2	Very high	90.6	Very high	43 Å²	43	58.2 Å²	58.2	26%	0.264	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	152.4	179.1	63.1	0	0	0	0	111	F51 E52 L53	T49-F51 PolarHBondContact O-N 3.37Å; T49-E52 PolarHBondContact N-OE2 3.24Å; T49-E52 WeakPolarHBondContact O-CB 3.36Å; T49-E52 PolarHBondContact O-N 3.45Å; T49-E52 WeakPolarHBondContact OG1-CB 3.33Å; T49-E52 VanDerWaalsContact OG1-CD 3.3Å; T49-E52 WeakPolarHBondContact OG1-CG 3.35Å; T49-E52 PolarHBondContact OG1-N 2.89Å; T49-E52 PolarHBondContact OG1-OE2 2.96Å; T49-L53 PolarHBondContact O-N 3.15Å; T49-L53 VanDerWaalsContact O-N 3.14Å
50	K	92	Very high	90.6	Very high	52 Å²	52	55.2 Å²	55.2	23%	0.226	32%	0.318	C	S	.	.	H	α-helix	trans	-56.7	-38.6	171.7	-178.2	179.8	172.5	-171.5	0	111.9	Y29 E34 Y36 E52 L53 E54 F78	Y29-K50 HydrophobicContact CE2-CB 4.46Å; E34-K50 HydrophobicContact CB-CB 4.25Å; E34-K50 WeakPolarHBondContact O-CB 3.2Å; E34-K50 PolarHBondContact O-N 3.15Å; Y36-K50 HydrophobicContact CE2-CB 4.19Å; K50-E52 VanDerWaalsContact C-N 3.29Å; K50-E52 PolarHBondContact O-N 3.02Å; K50-L53 PolarHBondContact O-N 2.62Å; K50-E54 WeakPolarHBondContact CE-OE1 3.27Å; K50-E54 WeakPolarHBondContact O-CB 3.44Å; K50-E54 WeakPolarHBondContact O-CG 3.14Å; K50-E54 PolarHBondContact O-N 2.8Å; K50-F78 HydrophobicContact CG-CD1 4.03Å; K50-F78 HydrophobicContact CG-CE1 3.92Å
51	F	90.4	Very high	90.8	Very high	149 Å²	149	59.8 Å²	59.8	65%	0.654	34%	0.339	S	S	*	.	H	α-helix	trans	-60.8	-37.6	175	177.9	-98.9	0	0	0	112.3	T49 E54 S55	T49-F51 PolarHBondContact O-N 3.37Å; F51-E54 PolarHBondContact O-N 3.27Å; F51-S55 WeakPolarHBondContact O-CB 3.43Å; F51-S55 PolarHBondContact O-N 2.83Å; F51-S55 PolarHBondContact O-OG 3.39Å
52	E	91.5	Very high	91.2	Very high	50 Å²	50	56.2 Å²	56.2	23%	0.234	32%	0.316	C	S	.	.	H	α-helix	trans	-68	-44.4	177.1	-78.2	171.4	128.3	0	0	112.4	I48 T49 K50 S55 G56 K57	I48-E52 HydrophobicContact CG1-CB 3.91Å; T49-E52 PolarHBondContact N-OE2 3.24Å; T49-E52 WeakPolarHBondContact O-CB 3.36Å; T49-E52 PolarHBondContact O-N 3.45Å; T49-E52 WeakPolarHBondContact OG1-CB 3.33Å; T49-E52 VanDerWaalsContact OG1-CD 3.3Å; T49-E52 WeakPolarHBondContact OG1-CG 3.35Å; T49-E52 PolarHBondContact OG1-N 2.89Å; T49-E52 PolarHBondContact OG1-OE2 2.96Å; K50-E52 VanDerWaalsContact C-N 3.29Å; K50-E52 PolarHBondContact O-N 3.02Å; E52-S55 WeakPolarHBondContact CA-OG 3.47Å; E52-S55 CarbonylContact O-C 3.56Å; E52-S55 PolarHBondContact O-N 3.18Å; E52-S55 VanDerWaalsContact O-N 3.12Å; E52-S55 PolarHBondContact O-OG 3.36Å; E52-G56 PolarHBondContact O-N 3.31Å; E52-K57 HydrophobicContact CB-CB 4.18Å; E52-K57 HydrophobicContact CB-CD 3.98Å; E52-K57 HydrophobicContact CB-CG 4.37Å; E52-K57 HydrophobicContact CG-CD 3.89Å; E52-K57 WeakPolarHBondContact O-CB 3.39Å; E52-K57 PolarHBondContact O-N 3.28Å; E52-K57 IonicContact OE1-NZ 3.78Å; E52-K57 PolarHBondContact OE1-NZ 2.7Å
53	L	91.6	Very high	91.4	Very high	3 Å²	3	56.8 Å²	56.8	2%	0.016	32%	0.319	C	S	.	.	H	α-helix	trans	-60.7	-44.8	172.7	-69	167	0	0	0	111.3	I24 Y36 I48 T49 K50 S55 G56 V71 Y73 F78	I24-L53 HydrophobicContact CD1-CD1 3.62Å; I24-L53 HydrophobicContact CG1-CD1 4.46Å; Y36-L53 HydrophobicContact CD2-CD1 3.54Å; Y36-L53 HydrophobicContact CE2-CD1 3.58Å; Y36-L53 HydrophobicContact CG-CD1 4.38Å; I48-L53 HydrophobicContact CD1-CD2 3.64Å; I48-L53 HydrophobicContact CD1-CG 3.9Å; I48-L53 HydrophobicContact CG1-CD2 4.38Å; I48-L53 HydrophobicContact CG1-CG 4.11Å; I48-L53 HydrophobicContact CG2-CD1 4.16Å; I48-L53 HydrophobicContact CG2-CG 4.33Å; T49-L53 PolarHBondContact O-N 3.15Å; T49-L53 VanDerWaalsContact O-N 3.14Å; K50-L53 PolarHBondContact O-N 2.62Å; L53-S55 PolarHBondContact O-N 3.02Å; L53-G56 PolarHBondContact O-N 2.88Å; L53-V71 HydrophobicContact CD2-CB 4.39Å; L53-V71 HydrophobicContact CD2-CG1 4.06Å; L53-Y73 HydrophobicContact CB-CE2 4.38Å; L53-Y73 HydrophobicContact CD2-CD1 3.54Å; L53-Y73 HydrophobicContact CD2-CD2 4.38Å; L53-Y73 HydrophobicContact CD2-CE1 3.39Å; L53-Y73 HydrophobicContact CD2-CE2 4.26Å; L53-Y73 HydrophobicContact CD2-CG 4.04Å; L53-Y73 PolarHBondContact O-OH 3.08Å; L53-F78 HydrophobicContact CB-CD2 4.41Å; L53-F78 HydrophobicContact CB-CE2 3.85Å; L53-F78 HydrophobicContact CB-CZ 4.12Å; L53-F78 HydrophobicContact CD1-CE2 4.27Å; L53-F78 HydrophobicContact CD1-CZ 3.9Å
54	E	88.2	Confident	91.6	Very high	95 Å²	95	57.3 Å²	57.3	44%	0.444	31%	0.31	S	S	.	.	H	α-helix	trans	-58.9	-30.8	174.1	-81.9	174.9	-173.8	0	0	112.9	K50 F51 G56 F78	K50-E54 WeakPolarHBondContact CE-OE1 3.27Å; K50-E54 WeakPolarHBondContact O-CB 3.44Å; K50-E54 WeakPolarHBondContact O-CG 3.14Å; K50-E54 PolarHBondContact O-N 2.8Å; F51-E54 PolarHBondContact O-N 3.27Å; E54-G56 VanDerWaalsContact C-N 3.26Å; E54-G56 PolarHBondContact O-N 2.52Å; E54-F78 HydrophobicContact CG-CB 3.49Å; E54-F78 VanDerWaalsContact CG-CB 3.49Å; E54-F78 HydrophobicContact CG-CD1 4.17Å; E54-F78 HydrophobicContact CG-CG 3.88Å
55	S	86	Confident	91.4	Very high	73 Å²	73	57.4 Å²	57.4	51%	0.51	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-0.1	176	77.1	0	0	0	0	114.1	F51 E52 L53	F51-S55 WeakPolarHBondContact O-CB 3.43Å; F51-S55 PolarHBondContact O-N 2.83Å; F51-S55 PolarHBondContact O-OG 3.39Å; E52-S55 WeakPolarHBondContact CA-OG 3.47Å; E52-S55 CarbonylContact O-C 3.56Å; E52-S55 PolarHBondContact O-N 3.18Å; E52-S55 VanDerWaalsContact O-N 3.12Å; E52-S55 PolarHBondContact O-OG 3.36Å; L53-S55 PolarHBondContact O-N 3.02Å
56	G	86.9	Confident	91.1	Very high	54 Å²	54	56.9 Å²	56.9	56%	0.557	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.3	13.1	-179.8	0	0	0	0	0	114.6	E52 L53 E54 Y73	E52-G56 PolarHBondContact O-N 3.31Å; L53-G56 PolarHBondContact O-N 2.88Å; E54-G56 VanDerWaalsContact C-N 3.26Å; E54-G56 PolarHBondContact O-N 2.52Å; G56-Y73 WeakPolarHBondContact CA-OH 3.42Å
57	K	88.5	Confident	90.7	Very high	103 Å²	103	60 Å²	60	45%	0.448	34%	0.338	S	S	.	.			trans	-72.3	144.9	168.2	-65.4	-164.3	-168.8	173.2	0	109.6	E52 Y73	E52-K57 HydrophobicContact CB-CB 4.18Å; E52-K57 HydrophobicContact CB-CD 3.98Å; E52-K57 HydrophobicContact CB-CG 4.37Å; E52-K57 HydrophobicContact CG-CD 3.89Å; E52-K57 WeakPolarHBondContact O-CB 3.39Å; E52-K57 PolarHBondContact O-N 3.28Å; E52-K57 IonicContact OE1-NZ 3.78Å; E52-K57 PolarHBondContact OE1-NZ 2.7Å; K57-Y73 WeakPolarHBondContact O-CE1 3.36Å; K57-Y73 PolarHBondContact O-OH 2.89Å
58	D	92.1	Very high	90.5	Very high	46 Å²	46	58.1 Å²	58.1	25%	0.246	33%	0.33	C	S	.	.			trans	-130.8	22.8	178.3	67.9	-21.5	0	0	0	112	R70 V71 Y73	D58-R70 CarbonylContact O-C 3.59Å; D58-R70 WeakPolarHBondContact O-CA 3.35Å; D58-R70 WeakPolarHBondContact O-CG 3.43Å; D58-R70 IonicContact OD2-CZ 3.61Å; D58-R70 IonicContact OD2-NE 2.58Å; D58-R70 PolarHBondContact OD2-NE 3.29Å; D58-R70 IonicContact OD2-NH2 2.69Å; D58-R70 PolarHBondContact OD2-NH2 3.06Å; D58-V71 PolarHBondContact O-N 2.9Å; D58-Y73 HydrophobicContact CB-CE1 3.93Å
59	V	93.3	Very high	90.4	Very high	53 Å²	53	58.1 Å²	58.1	32%	0.321	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	117.4	-176	-172.2	0	0	0	0	110.1	F18 I68 V69	F18-V59 HydrophobicContact CE1-CB 4.47Å; F18-V59 HydrophobicContact CE1-CG1 4.07Å; F18-V59 HydrophobicContact CE1-CG2 3.72Å; F18-V59 HydrophobicContact CZ-CG2 4.25Å; V59-I68 HydrophobicContact CG1-CB 3.8Å; V59-I68 HydrophobicContact CG1-CD1 4.28Å; V59-I68 HydrophobicContact CG1-CG2 4.03Å; V59-V69 WeakPolarHBondContact CA-O 3.41Å
60	A	93.3	Very high	90.3	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	135.1	171.6	0	0	0	0	0	109.7	F27 F46 E47 I48 I68 V69 V71	F27-A60 HydrophobicContact CE1-CB 4.1Å; F27-A60 HydrophobicContact CZ-CB 4.25Å; F46-A60 HydrophobicContact CB-CB 4.08Å; E47-A60 WeakPolarHBondContact O-CA 3.36Å; E47-A60 WeakPolarHBondContact O-CB 3.31Å; I48-A60 HydrophobicContact CB-CB 3.79Å; I48-A60 HydrophobicContact CG2-CB 4.1Å; A60-I68 CarbonylContact O-C 3.53Å; A60-I68 VanDerWaalsContact O-CA 3.29Å; A60-I68 WeakPolarHBondContact O-CA 3.46Å; A60-V69 HydrophobicContact CB-CG2 3.73Å; A60-V69 PolarHBondContact N-O 3.39Å; A60-V69 PolarHBondContact O-N 2.73Å; A60-V71 HydrophobicContact CB-CG2 3.81Å
61	E	92.7	Very high	90.4	Very high	100 Å²	100	58.3 Å²	58.3	47%	0.467	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	143	-177.1	-173.8	175.7	171.4	0	0	110.2	E47 I68	E47-E61 PolarHBondContact N-O 2.84Å; E47-E61 PolarHBondContact O-N 3.26Å; E61-I68 HydrophobicContact CB-CG2 4.09Å; E61-I68 HydrophobicContact CG-CG2 3.99Å
62	C	91.7	Very high	90.4	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	31%	0.307	C	S	.	.			trans	-86.8	118.8	169.8	-179.5	0	0	0	0	110.1	C40 C42 F46 S64 C65 S66 L67	C40-C62 HydrophobicContact CB-CB 4.22Å; C42-C62 VanDerWaalsContact SG-SG 3.65Å; F46-C62 HydrophobicContact CD1-CB 3.78Å; F46-C62 HydrophobicContact CE1-CB 3.89Å; F46-C62 HydrophobicContact CG-CB 4.49Å; C62-S64 PolarHBondContact O-N 3.22Å; C62-C65 PolarHBondContact O-N 3.21Å; C62-S66 VanDerWaalsContact O-CA 3.28Å; C62-S66 WeakPolarHBondContact O-CA 3.38Å; C62-S66 PolarHBondContact O-N 2.85Å; C62-L67 PolarHBondContact N-O 3.18Å
63	P	89.2	Confident	90.4	Very high	78 Å²	78	53.3 Å²	53.3	51%	0.506	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-22.6	-175.7	26.2	-30.7	0	0	0	113.2	K45	K45-P63 WeakPolarHBondContact O-CD 3.5Å
64	S	89.4	Confident	90.2	Very high	86 Å²	86	57.3 Å²	57.3	60%	0.601	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-39.9	178.6	-76.1	0	0	0	0	114.5	D44 C62	D44-S64 WeakPolarHBondContact OD2-CB 3.48Å; D44-S64 PolarHBondContact OD2-N 3.21Å; D44-S64 PolarHBondContact OD2-OG 2.66Å; C62-S64 PolarHBondContact O-N 3.22Å
65	C	88.1	Confident	89.7	Confident	51 Å²	51	56.8 Å²	56.8	35%	0.345	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.5	-1.6	-172.1	69.9	0	0	0	0	114.8	C40 C42 C62 L67	C40-C65 PolarHBondContact SG-SG 3.05Å; C42-C65 HydrophobicContact CB-CB 3.95Å; C42-C65 VanDerWaalsContact SG-SG 3.65Å; C62-C65 PolarHBondContact O-N 3.21Å; C65-L67 PolarHBondContact O-N 2.84Å; C65-L67 VanDerWaalsContact SG-CG 3.54Å
66	S	86.2	Confident	89.3	Confident	78 Å²	78	59 Å²	59	55%	0.545	34%	0.336	S	S	.	.			trans	57.9	15.3	-178.2	-59.9	0	0	0	0	115.1	C62	C62-S66 VanDerWaalsContact O-CA 3.28Å; C62-S66 WeakPolarHBondContact O-CA 3.38Å; C62-S66 PolarHBondContact O-N 2.85Å
67	L	87	Confident	88.8	Confident	66 Å²	66	61.3 Å²	61.3	35%	0.346	33%	0.333	S	S	.	.			trans	-61.9	146.7	164.6	-71.2	177.2	0	0	0	108.9	F46 C62 C65	F46-L67 HydrophobicContact CE1-CB 3.62Å; F46-L67 WeakPolarHBondContact CE1-O 3.41Å; F46-L67 HydrophobicContact CZ-CB 4Å; C62-L67 PolarHBondContact N-O 3.18Å; C65-L67 PolarHBondContact O-N 2.84Å; C65-L67 VanDerWaalsContact SG-CG 3.54Å
68	I	92.4	Very high	87.9	Confident	40 Å²	40	57.7 Å²	57.7	21%	0.205	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	143.9	177.9	56.2	169.9	0	0	0	110.5	F18 H19 V59 A60 E61	F18-I68 HydrophobicContact CD1-CD1 4.05Å; F18-I68 HydrophobicContact CD1-CG1 4.25Å; F18-I68 HydrophobicContact CE1-CD1 4.22Å; H19-I68 VanDerWaalsContact CB-O 3.29Å; H19-I68 WeakPolarHBondContact CB-O 3.26Å; H19-I68 PolarHBondContact N-O 3.05Å; V59-I68 HydrophobicContact CG1-CB 3.8Å; V59-I68 HydrophobicContact CG1-CD1 4.28Å; V59-I68 HydrophobicContact CG1-CG2 4.03Å; A60-I68 CarbonylContact O-C 3.53Å; A60-I68 VanDerWaalsContact O-CA 3.29Å; A60-I68 WeakPolarHBondContact O-CA 3.46Å; E61-I68 HydrophobicContact CB-CG2 4.09Å; E61-I68 HydrophobicContact CG-CG2 3.99Å
69	V	91.7	Very high	86.2	Confident	0 Å²	0	60 Å²	60	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	149.2	170.6	-66.1	0	0	0	0	109.3	H19 D20 I22 F27 F46 V59 A60	H19-V69 HydrophobicContact CB-CG1 4.09Å; D20-V69 HydrophobicContact CB-CG1 4.33Å; D20-V69 WeakPolarHBondContact O-CA 3.12Å; I22-V69 HydrophobicContact CD1-CB 3.84Å; I22-V69 HydrophobicContact CD1-CG1 3.75Å; I22-V69 HydrophobicContact CD1-CG2 3.94Å; F27-V69 HydrophobicContact CZ-CG2 4.13Å; F46-V69 HydrophobicContact CB-CG2 3.93Å; F46-V69 HydrophobicContact CD1-CB 4.47Å; F46-V69 HydrophobicContact CD1-CG1 3.96Å; F46-V69 HydrophobicContact CD1-CG2 3.91Å; F46-V69 HydrophobicContact CD2-CG1 3.96Å; F46-V69 HydrophobicContact CD2-CG2 4.2Å; F46-V69 HydrophobicContact CE1-CG1 3.7Å; F46-V69 HydrophobicContact CE1-CG2 4.5Å; F46-V69 HydrophobicContact CE2-CG1 3.68Å; F46-V69 HydrophobicContact CG-CG1 4.09Å; F46-V69 HydrophobicContact CG-CG2 3.75Å; F46-V69 HydrophobicContact CZ-CG1 3.56Å; V59-V69 WeakPolarHBondContact CA-O 3.41Å; A60-V69 HydrophobicContact CB-CG2 3.73Å; A60-V69 PolarHBondContact N-O 3.39Å; A60-V69 PolarHBondContact O-N 2.73Å
70	R	94.2	Very high	84	Confident	96 Å²	96	66.7 Å²	66.7	36%	0.362	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	129.7	171.8	-163.3	179.2	-171.4	-175.8	1.5	109.5	F18 D20 E21 I22 D58	F18-R70 HydrophobicContact CB-CB 4.44Å; F18-R70 HydrophobicContact CD1-CB 3.73Å; F18-R70 HydrophobicContact CD2-CB 4.14Å; F18-R70 HydrophobicContact CE1-CB 3.92Å; F18-R70 HydrophobicContact CE1-CG 4.25Å; F18-R70 HydrophobicContact CE2-CB 4.32Å; F18-R70 HydrophobicContact CE2-CG 4.44Å; F18-R70 HydrophobicContact CG-CB 3.84Å; F18-R70 HydrophobicContact CZ-CB 4.21Å; F18-R70 HydrophobicContact CZ-CG 4.19Å; D20-R70 PolarHBondContact O-N 3.3Å; E21-R70 CarbonylContact C-O 3.59Å; E21-R70 WeakPolarHBondContact CA-O 3.43Å; E21-R70 HydrophobicContact CB-CB 4.36Å; E21-R70 HydrophobicContact CG-CB 4.02Å; E21-R70 WeakPolarHBondContact OE1-CD 3.34Å; E21-R70 IonicContact OE1-NH1 2.74Å; I22-R70 PolarHBondContact N-O 2.92Å; D58-R70 CarbonylContact O-C 3.59Å; D58-R70 WeakPolarHBondContact O-CA 3.35Å; D58-R70 WeakPolarHBondContact O-CG 3.43Å; D58-R70 IonicContact OD2-CZ 3.61Å; D58-R70 IonicContact OD2-NE 2.58Å; D58-R70 PolarHBondContact OD2-NE 3.29Å; D58-R70 IonicContact OD2-NH2 2.69Å; D58-R70 PolarHBondContact OD2-NH2 3.06Å
71	V	93.6	Very high	81.4	Confident	3 Å²	3	72.8 Å²	72.8	2%	0.018	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	117.2	178.6	-171.3	0	0	0	0	108.6	I22 I24 F27 I48 L53 D58 A60 Y73	I22-V71 CarbonylContact O-C 3.57Å; I22-V71 WeakPolarHBondContact O-CA 3.47Å; I24-V71 HydrophobicContact CB-CG1 4.15Å; I24-V71 HydrophobicContact CD1-CG1 3.75Å; F27-V71 HydrophobicContact CE1-CG2 4.46Å; F27-V71 HydrophobicContact CE2-CG1 4.12Å; F27-V71 HydrophobicContact CE2-CG2 4.18Å; F27-V71 HydrophobicContact CZ-CG1 4.46Å; F27-V71 HydrophobicContact CZ-CG2 3.76Å; I48-V71 HydrophobicContact CD1-CG2 4.16Å; I48-V71 HydrophobicContact CG2-CG2 4.17Å; L53-V71 HydrophobicContact CD2-CB 4.39Å; L53-V71 HydrophobicContact CD2-CG1 4.06Å; D58-V71 PolarHBondContact O-N 2.9Å; A60-V71 HydrophobicContact CB-CG2 3.81Å; V71-Y73 HydrophobicContact CG1-CD1 4.26Å; V71-Y73 WeakPolarHBondContact O-CD1 3.41Å
72	I	91.5	Very high	78.6	Confident	54 Å²	54	76.6 Å²	76.6	28%	0.277	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	118.9	173.8	-51.2	175.4	0	0	0	107.3	E21 I22 E23 I24	E21-I72 HydrophobicContact CB-CD1 3.88Å; E21-I72 HydrophobicContact CB-CG1 4.21Å; I22-I72 PolarHBondContact O-N 3.31Å; E23-I72 CarbonylContact C-O 3.58Å; E23-I72 WeakPolarHBondContact CA-O 3.41Å; E23-I72 WeakPolarHBondContact OE2-CB 3.29Å; E23-I72 WeakPolarHBondContact OE2-CG2 3.38Å; I24-I72 PolarHBondContact N-O 3.25Å
73	Y	91.4	Very high	75.7	Confident	40 Å²	40	82.3 Å²	82.3	16%	0.157	45%	0.453	C	S	.	.			trans	-148.9	158.9	179.4	68.4	-80.6	0	0	0	111.1	L53 G56 K57 D58 V71 P75 F78	L53-Y73 HydrophobicContact CB-CE2 4.38Å; L53-Y73 HydrophobicContact CD2-CD1 3.54Å; L53-Y73 HydrophobicContact CD2-CD2 4.38Å; L53-Y73 HydrophobicContact CD2-CE1 3.39Å; L53-Y73 HydrophobicContact CD2-CE2 4.26Å; L53-Y73 HydrophobicContact CD2-CG 4.04Å; L53-Y73 PolarHBondContact O-OH 3.08Å; G56-Y73 WeakPolarHBondContact CA-OH 3.42Å; K57-Y73 WeakPolarHBondContact O-CE1 3.36Å; K57-Y73 PolarHBondContact O-OH 2.89Å; D58-Y73 HydrophobicContact CB-CE1 3.93Å; V71-Y73 HydrophobicContact CG1-CD1 4.26Å; V71-Y73 WeakPolarHBondContact O-CD1 3.41Å; Y73-P75 HydrophobicContact CE2-CG 4.33Å; Y73-P75 WeakPolarHBondContact O-CD 3.45Å; Y73-F78 HydrophobicContact CD2-CD2 4.29Å; Y73-F78 AromaticContact CD2-CE2 3.8Å; Y73-F78 HydrophobicContact CD2-CE2 3.8Å; Y73-F78 HydrophobicContact CE2-CD2 4.4Å; Y73-F78 HydrophobicContact CE2-CE2 4.2Å
74	D	87.5	Confident	73.1	Confident	87 Å²	87	84.6 Å²	84.6	47%	0.465	47%	0.466	S	S	.	.			trans	-89	116.9	169.9	-177.5	-5.8	0	0	0	109.6	D76 M77	D74-D76 PolarHBondContact O-N 3.49Å; D74-D76 VanDerWaalsContact O-N 3.12Å; D74-D76 WeakPolarHBondContact OD1-CB 3.4Å; D74-D76 PolarHBondContact OD1-N 3.11Å; D74-M77 HydrophobicContact CB-CG 4Å; D74-M77 HydrophobicContact CB-SD 4.18Å; D74-M77 WeakPolarHBondContact O-CB 3.43Å; D74-M77 VanDerWaalsContact O-CG 3.24Å; D74-M77 WeakPolarHBondContact O-CG 3.45Å; D74-M77 PolarHBondContact O-N 3.19Å
75	P	77.6	Confident	70.3	Confident	84 Å²	84	89.1 Å²	89.1	55%	0.545	48%	0.477	S	S	.	.	G	3₁₀ helix	trans	-56.3	-26.4	177.9	-25.5	35.1	0	0	0	114	Y73 M77 F78	Y73-P75 HydrophobicContact CE2-CG 4.33Å; Y73-P75 WeakPolarHBondContact O-CD 3.45Å; P75-M77 PolarHBondContact O-N 3.35Å; P75-F78 PolarHBondContact O-N 3.34Å
76	D	77.7	Confident	67.9	Low	121 Å²	121	92.4 Å²	92.4	65%	0.647	50%	0.495	S	S	*	.	G	3₁₀ helix	trans	-68	-15.5	178.6	-71.1	-23.9	0	0	0	112.4	D74 F78 V79	D74-D76 PolarHBondContact O-N 3.49Å; D74-D76 VanDerWaalsContact O-N 3.12Å; D74-D76 WeakPolarHBondContact OD1-CB 3.4Å; D74-D76 PolarHBondContact OD1-N 3.11Å; D76-F78 PolarHBondContact O-N 3.05Å; D76-V79 PolarHBondContact O-N 3.06Å
77	M	75.2	Confident	65.5	Low	101 Å²	101	93.8 Å²	93.8	50%	0.498	50%	0.502	S	S	.	.	G	3₁₀ helix	trans	-61.3	-24	175.8	-69.5	175.6	61.4	0	0	113.6	I24 D74 P75	I24-M77 HydrophobicContact CG2-CE 3.97Å; I24-M77 HydrophobicContact CG2-SD 3.98Å; D74-M77 HydrophobicContact CB-CG 4Å; D74-M77 HydrophobicContact CB-SD 4.18Å; D74-M77 WeakPolarHBondContact O-CB 3.43Å; D74-M77 VanDerWaalsContact O-CG 3.24Å; D74-M77 WeakPolarHBondContact O-CG 3.45Å; D74-M77 PolarHBondContact O-N 3.19Å; P75-M77 PolarHBondContact O-N 3.35Å
78	F	70.1	Confident	63	Low	28 Å²	28	96.4 Å²	96.4	12%	0.123	53%	0.526	C	S	.	.	G	3₁₀ helix	trans	-111.4	-0.9	-174	-54.8	-73.9	0	0	0	114.3	Y36 K50 L53 E54 Y73 P75 D76 K80	Y36-F78 HydrophobicContact CE2-CE1 4.37Å; Y36-F78 HydrophobicContact CE2-CZ 4.3Å; K50-F78 HydrophobicContact CG-CD1 4.03Å; K50-F78 HydrophobicContact CG-CE1 3.92Å; L53-F78 HydrophobicContact CB-CD2 4.41Å; L53-F78 HydrophobicContact CB-CE2 3.85Å; L53-F78 HydrophobicContact CB-CZ 4.12Å; L53-F78 HydrophobicContact CD1-CE2 4.27Å; L53-F78 HydrophobicContact CD1-CZ 3.9Å; E54-F78 HydrophobicContact CG-CB 3.49Å; E54-F78 VanDerWaalsContact CG-CB 3.49Å; E54-F78 HydrophobicContact CG-CD1 4.17Å; E54-F78 HydrophobicContact CG-CG 3.88Å; Y73-F78 HydrophobicContact CD2-CD2 4.29Å; Y73-F78 AromaticContact CD2-CE2 3.8Å; Y73-F78 HydrophobicContact CD2-CE2 3.8Å; Y73-F78 HydrophobicContact CE2-CD2 4.4Å; Y73-F78 HydrophobicContact CE2-CE2 4.2Å; P75-F78 PolarHBondContact O-N 3.34Å; D76-F78 PolarHBondContact O-N 3.05Å; F78-K80 PolarHBondContact O-N 3.47Å
79	V	56.1	Low	60.5	Low	93 Å²	93	104.4 Å²	104.4	56%	0.564	56%	0.559	S	S	*	*			trans	-75.5	108.4	177	-178.1	0	0	0	0	109.4	D76 T81	D76-V79 PolarHBondContact O-N 3.06Å; V79-T81 PolarHBondContact O-N 2.78Å
80	K	48	Very low	58	Low	194 Å²	194	113.4 Å²	113.4	84%	0.843	60%	0.601	S	S	*	*			trans	-61.9	102.3	168.3	-76.3	-178.8	-179.5	170.3	0	109.1	F78 E82	F78-K80 PolarHBondContact O-N 3.47Å; K80-E82 PolarHBondContact O-N 3.3Å
81	T	37.5	Very low	55.1	Low	128 Å²	128	113.5 Å²	113.5	79%	0.785	62%	0.623	S	S	*	*			trans	-65	102.5	169.9	47.8	0	0	0	0	109.7	V79 S83	V79-T81 PolarHBondContact O-N 2.78Å; T81-S83 PolarHBondContact O-N 3.26Å; T81-S83 VanDerWaalsContact O-N 3.17Å
82	E	33.6	Very low	52.5	Low	180 Å²	180	121.7 Å²	121.7	84%	0.841	67%	0.666	S	S	*	*			trans	-61.4	113.3	158	-75.8	-170.8	160.7	0	0	108	K80 V84	K80-E82 PolarHBondContact O-N 3.3Å; E82-V84 PolarHBondContact O-N 2.85Å
83	S	32.3	Very low	49.8	Very low	120 Å²	120	125.3 Å²	125.3	84%	0.839	69%	0.69	S	S	*	*			trans	-70.2	98	-178.5	45.8	0	0	0	0	110.6	T81 H85	T81-S83 PolarHBondContact O-N 3.26Å; T81-S83 VanDerWaalsContact O-N 3.17Å; S83-H85 PolarHBondContact O-N 2.87Å
84	V	33.5	Very low	47.2	Very low	127 Å²	127	135 Å²	135	77%	0.77	73%	0.727	S	S	*	*			trans	-86.5	104.5	165.9	-176.8	0	0	0	0	108.8	E82 V86	E82-V84 PolarHBondContact O-N 2.85Å; V84-V86 HydrophobicContact CG1-CG2 4.25Å; V84-V86 PolarHBondContact O-N 2.97Å
85	H	30.4	Very low	44.8	Very low	180 Å²	180	136.4 Å²	136.4	83%	0.833	74%	0.741	S	S	*	*			trans	-69.9	113.6	175.3	-162	69	0	0	0	110.3	S83	S83-H85 PolarHBondContact O-N 2.87Å
86	V	37.6	Very low	43	Very low	121 Å²	121	140.6 Å²	140.6	73%	0.733	76%	0.757	S	S	*	*			trans	-119.9	120.7	169.2	-175	0	0	0	0	109.1	V84	V84-V86 HydrophobicContact CG1-CG2 4.25Å; V84-V86 PolarHBondContact O-N 2.97Å
87	P	36.1	Very low	41	Very low	106 Å²	106	142.2 Å²	142.2	69%	0.688	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-78.8	135.1	-172.5	29.3	-33	0	0	0	112.6
88	S	34.6	Very low	39.3	Very low	122 Å²	122	145.1 Å²	145.1	85%	0.853	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-65.6	127.2	177.6	58.5	0	0	0	0	112.6
89	K	41.3	Very low	37.7	Very low	207 Å²	207	151.8 Å²	151.8	90%	0.9	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-100.2	135.3	162.6	-90.1	-173.4	178.4	178.7	0	111.5
90	Q	38.1	Very low	36.9	Very low	189 Å²	189	152.8 Å²	152.8	88%	0.883	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-57.4	147.4	-172.4	-71.4	154.5	-28.4	0	0	115.2
91	A	34.5	Very low	36.3	Very low	98 Å²	98	155.5 Å²	155.5	81%	0.81	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-65.2	140.8	168.6	0	0	0	0	0	112.4
92	L	37	Very low	36.5	Very low	176 Å²	176	158.2 Å²	158.2	92%	0.921	84%	0.839	S	S	*	*			trans	-125.9	111.9	163.5	-101.4	155.7	0	0	0	108.7
93	T	36	Very low	36.6	Very low	130 Å²	130	157.4 Å²	157.4	80%	0.798	84%	0.839	S	S	*	*			trans	-78.3	137.7	173.7	40.9	0	0	0	0	110.8
94	R	37.3	Very low	36.6	Very low	243 Å²	243	162 Å²	162	92%	0.917	84%	0.844	S	S	*	*			trans	-150.3	129	151.6	-99.5	-172.3	171.2	-171.9	-3.6	109.7
95	P	35.8	Very low	36.7	Very low	117 Å²	117	164.9 Å²	164.9	76%	0.76	85%	0.846	S	S	*	*			trans	-95	148.6	179.9	36.2	-30	0	0	0	111.2
96	L	40.3	Very low	36.8	Very low	172 Å²	172	160.6 Å²	160.6	90%	0.901	84%	0.836	S	S	*	*			trans	-154.1	112.8	157.2	-105.9	137.3	0	0	0	110.1
97	N	36.4	Very low	36.5	Very low	155 Å²	155	160.7 Å²	160.7	83%	0.829	84%	0.837	S	S	*	*			trans	-58.6	139.2	166.1	-74.7	-29.7	0	0	0	110.7
98	L	39.1	Very low	36.1	Very low	162 Å²	162	166.3 Å²	166.3	85%	0.848	85%	0.845	S	S	*	*			trans	-166.2	138.9	138.1	-102.4	141.2	0	0	0	111
99	L	37.1	Very low	35.8	Very low	167 Å²	167	166.3 Å²	166.3	87%	0.874	84%	0.84	S	S	*	*			trans	-57.4	139.9	-171.3	-71.1	76.8	0	0	0	113.7
100	S	37.9	Very low	35.3	Very low	115 Å²	115	162.6 Å²	162.6	80%	0.804	83%	0.834	S	S	*	*			trans	-157.7	134.7	132.3	57.6	0	0	0	0	111.6
101	R	35.2	Very low	35.5	Very low	250 Å²	250	164.7 Å²	164.7	94%	0.943	83%	0.834	S	S	*	*			trans	-59.5	126.5	173.7	-77.4	163	139	179.4	-6.2	110.3
102	Q	41.8	Very low	36.2	Very low	185 Å²	185	163.5 Å²	163.5	86%	0.864	83%	0.831	S	S	*	*			trans	-143.7	129.7	154.7	-99.3	176.9	3.1	0	0	112
103	L	36.9	Very low	37.5	Very low	164 Å²	164	159 Å²	159	86%	0.859	82%	0.819	S	S	*	*			trans	-24.5	121.9	173.1	-67.6	132.4	0	0	0	116.4	K105	L103-K105 PolarHBondContact O-N 3.24Å; L103-K105 VanDerWaalsContact O-N 3.07Å
104	K	32.6	Very low	39.9	Very low	216 Å²	216	154.6 Å²	154.6	94%	0.939	80%	0.796	S	S	*	*			trans	-69.4	95.8	157.4	-74.5	-175.6	176.7	-176.9	0	108.7
105	K	34.8	Very low	42.6	Very low	188 Å²	188	146.4 Å²	146.4	82%	0.817	78%	0.776	S	S	*	*			trans	-80.5	116.4	154.1	-82	-176	174.7	-178.5	0	107.1	L103 V107	L103-K105 PolarHBondContact O-N 3.24Å; L103-K105 VanDerWaalsContact O-N 3.07Å; K105-V107 PolarHBondContact O-N 3.28Å
106	S	31.5	Very low	45.4	Very low	89 Å²	89	142.6 Å²	142.6	62%	0.622	75%	0.749	S	S	*	*			trans	-59.9	113.5	166.2	52.2	0	0	0	0	108.5	W108	S106-W108 PolarHBondContact O-N 3.46Å
107	V	31.7	Very low	48.2	Very low	124 Å²	124	135 Å²	135	75%	0.752	71%	0.71	S	S	*	*			trans	-74.7	106.2	165.2	176.3	0	0	0	0	106	K105 V109	K105-V107 PolarHBondContact O-N 3.28Å; V107-V109 HydrophobicContact CG1-CG2 4.3Å; V107-V109 PolarHBondContact O-N 3.45Å; V107-V109 VanDerWaalsContact O-N 3.14Å
108	W	28.4	Very low	51.1	Low	223 Å²	223	127.9 Å²	127.9	85%	0.845	67%	0.672	S	S	*	*			trans	-70.1	102.6	164.3	-66.5	88.1	0	0	0	106.5	S106 T110	S106-W108 PolarHBondContact O-N 3.46Å; W108-T110 PolarHBondContact O-N 2.84Å; W108-T110 VanDerWaalsContact O-N 3.1Å
109	V	27.9	Very low	53.9	Low	123 Å²	123	121.8 Å²	121.8	75%	0.745	64%	0.638	S	S	*	*			trans	-71	99.4	164	178.5	0	0	0	0	105.5	V107 R111	V107-V109 HydrophobicContact CG1-CG2 4.3Å; V107-V109 PolarHBondContact O-N 3.45Å; V107-V109 VanDerWaalsContact O-N 3.14Å; V109-R111 VanDerWaalsContact C-N 3.33Å; V109-R111 PolarHBondContact O-N 3.48Å
110	T	30.8	Very low	56.8	Low	128 Å²	128	117.4 Å²	117.4	79%	0.785	62%	0.615	S	S	*	*			trans	-59.8	100.2	162.6	29.5	0	0	0	0	107	W108 G112	W108-T110 PolarHBondContact O-N 2.84Å; W108-T110 VanDerWaalsContact O-N 3.1Å; T110-G112 PolarHBondContact O-N 2.99Å
111	R	42.7	Very low	59.7	Low	234 Å²	234	111.9 Å²	111.9	88%	0.883	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-56.2	122	162.8	-78.7	-178	169.1	-170.1	-4.9	106.1	V109 A113	V109-R111 VanDerWaalsContact C-N 3.33Å; V109-R111 PolarHBondContact O-N 3.48Å; R111-A113 PolarHBondContact O-N 3.47Å
112	G	48.9	Very low	62.8	Low	73 Å²	73	100 Å²	100	75%	0.753	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-54.2	138.7	169.4	0	0	0	0	0	108.4	T110 A114	T110-G112 PolarHBondContact O-N 2.99Å; G112-A114 PolarHBondContact O-N 2.85Å
113	A	63.6	Low	65.5	Low	80 Å²	80	92.8 Å²	92.8	66%	0.661	50%	0.499	S	S	*	.	P	Polyproline II helix	trans	-53.9	130.6	176.3	0	0	0	0	0	108.7	R111	R111-A113 PolarHBondContact O-N 3.47Å
114	A	87.6	Confident	68.4	Low	39 Å²	39	86 Å²	86	32%	0.322	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-58.5	147.1	173.7	0	0	0	0	0	109	G112 M295 M300	G112-A114 PolarHBondContact O-N 2.85Å; A114-M295 PolarHBondContact O-N 3.26Å; A114-M300 HydrophobicContact CB-CE 4.1Å; A114-M300 HydrophobicContact CB-CG 4.21Å; A114-M300 HydrophobicContact CB-SD 4.02Å
115	S	93.3	Very high	71.5	Confident	71 Å²	71	75.8 Å²	75.8	50%	0.497	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	148.1	172	59.7	0	0	0	0	109.3	F293	S115-F293 VanDerWaalsContact CA-O 3.25Å; S115-F293 WeakPolarHBondContact CA-O 3.35Å; S115-F293 WeakPolarHBondContact CB-O 3.32Å
116	L	95.5	Very high	74.6	Confident	37 Å²	37	66.8 Å²	66.8	19%	0.194	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	147.1	176.2	-69.3	179.2	0	0	0	109	D120 S263 K292 F293 M295 M300	L116-D120 HydrophobicContact CB-CB 4.42Å; L116-D120 HydrophobicContact CD2-CB 4.2Å; L116-S263 PolarHBondContact O-OG 3.14Å; L116-K292 WeakPolarHBondContact O-CA 3.48Å; L116-F293 PolarHBondContact N-O 3.11Å; L116-F293 VanDerWaalsContact N-O 3.11Å; L116-F293 PolarHBondContact O-N 3.33Å; L116-M295 HydrophobicContact CB-CG 3.98Å; L116-M295 HydrophobicContact CD1-CE 4.21Å; L116-M295 HydrophobicContact CD1-CG 4.1Å; L116-M295 HydrophobicContact CG-CG 3.95Å; L116-M300 HydrophobicContact CD1-SD 4Å; L116-M300 HydrophobicContact CG-SD 4.41Å
117	T	98.1	Very high	77.8	Confident	11 Å²	11	64.4 Å²	64.4	7%	0.067	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	158.1	162.9	68.8	0	0	0	0	109.8	R119 D120 A121 S263 Y289 V291 K292	T117-R119 PolarHBondContact O-N 3.28Å; T117-D120 PolarHBondContact O-N 3.1Å; T117-D120 WeakPolarHBondContact OG1-CB 3.2Å; T117-D120 PolarHBondContact OG1-N 3.04Å; T117-D120 PolarHBondContact OG1-OD2 2.82Å; T117-A121 WeakPolarHBondContact O-CB 3.46Å; T117-A121 PolarHBondContact O-N 2.98Å; T117-S263 VanDerWaalsContact C-OG 3.3Å; T117-S263 PolarHBondContact O-OG 3.38Å; T117-Y289 WeakPolarHBondContact CB-O 3.5Å; T117-V291 VanDerWaalsContact CA-O 3.3Å; T117-V291 WeakPolarHBondContact CA-O 3.41Å; T117-K292 HydrophobicContact CG2-CD 4.36Å; T117-K292 HydrophobicContact CG2-CG 3.56Å
118	V	98.3	Very high	81	Confident	6 Å²	6	59.9 Å²	59.9	4%	0.036	33%	0.333	C	S	.	.	H	α-helix	trans	-60.2	-37.8	172.9	175.5	0	0	0	0	110.4	A121 L122 S263 A266 L288 Y289 V291 F293	V118-A121 WeakPolarHBondContact O-CB 3.36Å; V118-A121 PolarHBondContact O-N 3.37Å; V118-L122 HydrophobicContact CG1-CD1 4.07Å; V118-L122 HydrophobicContact CG1-CG 4.5Å; V118-L122 WeakPolarHBondContact O-CG 3.41Å; V118-L122 PolarHBondContact O-N 3.43Å; V118-S263 PolarHBondContact N-OG 3.32Å; V118-A266 HydrophobicContact CG1-CB 3.83Å; V118-L288 VanDerWaalsContact CB-O 3.28Å; V118-L288 WeakPolarHBondContact CB-O 3.28Å; V118-L288 HydrophobicContact CG2-CB 4.31Å; V118-L288 VanDerWaalsContact CG2-O 3.28Å; V118-L288 WeakPolarHBondContact CG2-O 3.3Å; V118-Y289 HydrophobicContact CG1-CD1 4.49Å; V118-Y289 PolarHBondContact N-O 2.86Å; V118-V291 PolarHBondContact N-O 2.65Å; V118-V291 VanDerWaalsContact N-O 3.14Å; V118-F293 HydrophobicContact CG2-CD2 3.78Å; V118-F293 HydrophobicContact CG2-CE2 3.62Å
119	R	98.4	Very high	84.3	Confident	34 Å²	34	49.3 Å²	49.3	13%	0.128	29%	0.293	C	S	.	.	H	α-helix	trans	-56.3	-51	173.7	-176.7	-172.8	-69.1	133.1	-11.1	112	D20 T117 A121 L122 N123 Y150 V152 Y289	D20-R119 IonicContact OD1-CZ 2.71Å; D20-R119 IonicContact OD1-NH1 3.14Å; D20-R119 PolarHBondContact OD1-NH1 2.81Å; D20-R119 IonicContact OD1-NH2 2.68Å; D20-R119 PolarHBondContact OD1-NH2 2.74Å; D20-R119 IonicContact OD2-CZ 3.64Å; D20-R119 IonicContact OD2-NH2 2.79Å; D20-R119 PolarHBondContact OD2-NH2 3Å; T117-R119 PolarHBondContact O-N 3.28Å; R119-A121 VanDerWaalsContact C-N 3.3Å; R119-A121 PolarHBondContact O-N 2.86Å; R119-L122 PolarHBondContact O-N 3.25Å; R119-N123 WeakPolarHBondContact O-CB 3.33Å; R119-N123 PolarHBondContact O-N 2.94Å; R119-Y150 WeakPolarHBondContact CD-O 3.45Å; R119-Y150 PolarHBondContact NE-O 3.47Å; R119-V152 HydrophobicContact CG-CB 4.44Å; R119-V152 HydrophobicContact CG-CG2 4.05Å; R119-Y289 VanDerWaalsContact CB-O 3.32Å; R119-Y289 WeakPolarHBondContact CB-O 3.31Å; R119-Y289 PolarHBondContact N-O 3.5Å
120	D	98	Very high	87.7	Confident	75 Å²	75	43.6 Å²	43.6	40%	0.401	26%	0.258	S	S	.	.	H	α-helix	trans	-66.2	-34.3	179.7	-59.6	-36.9	0	0	0	111.8	L116 T117 N123 S124	L116-D120 HydrophobicContact CB-CB 4.42Å; L116-D120 HydrophobicContact CD2-CB 4.2Å; T117-D120 PolarHBondContact O-N 3.1Å; T117-D120 WeakPolarHBondContact OG1-CB 3.2Å; T117-D120 PolarHBondContact OG1-N 3.04Å; T117-D120 PolarHBondContact OG1-OD2 2.82Å; D120-N123 PolarHBondContact O-N 3.18Å; D120-S124 WeakPolarHBondContact O-CB 3.35Å; D120-S124 PolarHBondContact O-N 2.97Å; D120-S124 PolarHBondContact O-OG 3.19Å
121	A	98.5	Very high	90.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-65.6	-42.5	176	0	0	0	0	0	112.3	T117 V118 R119 S124 A125 S263 A266 K267	T117-A121 WeakPolarHBondContact O-CB 3.46Å; T117-A121 PolarHBondContact O-N 2.98Å; V118-A121 WeakPolarHBondContact O-CB 3.36Å; V118-A121 PolarHBondContact O-N 3.37Å; R119-A121 VanDerWaalsContact C-N 3.3Å; R119-A121 PolarHBondContact O-N 2.86Å; A121-S124 PolarHBondContact O-OG 3.4Å; A121-A125 WeakPolarHBondContact O-CB 3.36Å; A121-A125 PolarHBondContact O-N 3.07Å; A121-S263 VanDerWaalsContact CB-O 3.27Å; A121-S263 WeakPolarHBondContact CB-O 3.29Å; A121-A266 HydrophobicContact CB-CB 4.33Å; A121-K267 HydrophobicContact CB-CB 4.16Å
122	L	98.8	Very high	93.6	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-65.2	-43.6	172.8	-68.3	163.2	0	0	0	111.6	V118 R119 A125 M126 V152 A266 L270 E284 Y289	V118-L122 HydrophobicContact CG1-CD1 4.07Å; V118-L122 HydrophobicContact CG1-CG 4.5Å; V118-L122 WeakPolarHBondContact O-CG 3.41Å; V118-L122 PolarHBondContact O-N 3.43Å; R119-L122 PolarHBondContact O-N 3.25Å; L122-A125 WeakPolarHBondContact O-CB 3.39Å; L122-A125 PolarHBondContact O-N 3.36Å; L122-M126 PolarHBondContact O-N 3.19Å; L122-V152 HydrophobicContact CB-CG1 3.49Å; L122-V152 VanDerWaalsContact CB-CG1 3.49Å; L122-V152 HydrophobicContact CD1-CG1 4.05Å; L122-V152 HydrophobicContact CG-CG1 4.41Å; L122-A266 HydrophobicContact CD2-CB 3.85Å; L122-A266 HydrophobicContact CG-CB 3.92Å; L122-L270 HydrophobicContact CB-CD2 4.43Å; L122-L270 HydrophobicContact CD2-CB 4.43Å; L122-L270 HydrophobicContact CD2-CD2 3.73Å; L122-E284 HydrophobicContact CD1-CG 4.32Å; L122-E284 WeakPolarHBondContact CD1-OE2 3.38Å; L122-E284 HydrophobicContact CD2-CG 4.36Å; L122-Y289 HydrophobicContact CD1-CD1 4.05Å; L122-Y289 HydrophobicContact CD1-CE1 3.7Å
123	N	98.7	Very high	96	Very high	33 Å²	33	34 Å²	34	18%	0.176	20%	0.201	C	C	.	.	H	α-helix	trans	-57.8	-51.4	176.1	-174.2	-86.1	0	0	0	111.1	R119 D120 A125 M126 D127 V152 K154	R119-N123 WeakPolarHBondContact O-CB 3.33Å; R119-N123 PolarHBondContact O-N 2.94Å; D120-N123 PolarHBondContact O-N 3.18Å; N123-A125 VanDerWaalsContact C-N 3.33Å; N123-A125 PolarHBondContact O-N 3.04Å; N123-M126 PolarHBondContact O-N 3.4Å; N123-D127 WeakPolarHBondContact O-CB 3.25Å; N123-D127 PolarHBondContact O-N 3.32Å; N123-V152 VanDerWaalsContact CB-O 3.24Å; N123-V152 WeakPolarHBondContact CB-O 3.31Å; N123-V152 PolarHBondContact ND2-O 3.19Å; N123-K154 PolarHBondContact ND2-N 2.78Å; N123-K154 PolarHBondContact ND2-O 3.18Å
124	S	98.3	Very high	97.6	Very high	23 Å²	23	38.2 Å²	38.2	16%	0.161	21%	0.207	C	C	.	.	H	α-helix	trans	-61.6	-38.4	178.6	65.8	0	0	0	0	112.6	D120 A121 D127 E128	D120-S124 WeakPolarHBondContact O-CB 3.35Å; D120-S124 PolarHBondContact O-N 2.97Å; D120-S124 PolarHBondContact O-OG 3.19Å; A121-S124 PolarHBondContact O-OG 3.4Å; S124-D127 PolarHBondContact O-N 2.88Å; S124-E128 VanDerWaalsContact O-CB 3.29Å; S124-E128 WeakPolarHBondContact O-CB 3.25Å; S124-E128 WeakPolarHBondContact O-CG 3.31Å; S124-E128 PolarHBondContact O-N 3.46Å
125	A	98.8	Very high	98.2	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-59.6	-47.6	173.6	0	0	0	0	0	112.4	A121 L122 N123 E129 K267 L270 K271	A121-A125 WeakPolarHBondContact O-CB 3.36Å; A121-A125 PolarHBondContact O-N 3.07Å; L122-A125 WeakPolarHBondContact O-CB 3.39Å; L122-A125 PolarHBondContact O-N 3.36Å; N123-A125 VanDerWaalsContact C-N 3.33Å; N123-A125 PolarHBondContact O-N 3.04Å; A125-E129 WeakPolarHBondContact O-CG 3.37Å; A125-E129 PolarHBondContact O-N 3.46Å; A125-E129 VanDerWaalsContact O-N 3.16Å; A125-K267 HydrophobicContact CB-CG 4.24Å; A125-L270 HydrophobicContact CB-CB 4.13Å; A125-L270 HydrophobicContact CB-CD2 4.04Å; A125-L270 HydrophobicContact CB-CG 4.23Å; A125-K271 HydrophobicContact CB-CD 4.28Å; A125-K271 HydrophobicContact CB-CG 3.65Å
126	M	98.8	Very high	98.4	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-64.9	-45.5	177	-67.7	-170.9	-70.6	0	0	111.4	L122 N123 E128 E129 M130 L138 V152 L156 I190 L270	L122-M126 PolarHBondContact O-N 3.19Å; N123-M126 PolarHBondContact O-N 3.4Å; M126-E128 PolarHBondContact O-N 2.75Å; M126-E129 PolarHBondContact O-N 2.81Å; M126-M130 VanDerWaalsContact O-CB 3.29Å; M126-M130 WeakPolarHBondContact O-CB 3.26Å; M126-M130 WeakPolarHBondContact O-CG 3.4Å; M126-M130 PolarHBondContact O-N 2.86Å; M126-L138 HydrophobicContact SD-CD1 4.37Å; M126-L138 HydrophobicContact SD-CD2 4.34Å; M126-V152 HydrophobicContact CE-CG1 3.79Å; M126-L156 HydrophobicContact CB-CD1 3.96Å; M126-L156 HydrophobicContact CE-CD1 3.97Å; M126-L156 HydrophobicContact SD-CD1 4.42Å; M126-I190 HydrophobicContact CG-CD1 4.08Å; M126-I190 HydrophobicContact SD-CD1 4.46Å; M126-I190 HydrophobicContact SD-CG2 4.35Å; M126-L270 HydrophobicContact CG-CD2 3.82Å
127	D	98.8	Very high	98.6	Very high	38 Å²	38	37.7 Å²	37.7	20%	0.203	18%	0.184	C	C	.	.	H	α-helix	trans	-58.5	-49.9	180	-171.6	23	0	0	0	111.9	N123 S124 E129 M130 A131 L156 K159 Y160	N123-D127 WeakPolarHBondContact O-CB 3.25Å; N123-D127 PolarHBondContact O-N 3.32Å; S124-D127 PolarHBondContact O-N 2.88Å; D127-E129 PolarHBondContact O-N 2.61Å; D127-M130 PolarHBondContact O-N 2.71Å; D127-A131 WeakPolarHBondContact O-CB 3.35Å; D127-A131 PolarHBondContact O-N 3.23Å; D127-L156 HydrophobicContact CB-CD2 3.81Å; D127-K159 WeakPolarHBondContact OD1-CD 3.41Å; D127-K159 WeakPolarHBondContact OD1-CE 3.41Å; D127-K159 IonicContact OD1-NZ 3.73Å; D127-K159 PolarHBondContact OD1-NZ 3.14Å; D127-K159 IonicContact OD2-NZ 3.53Å; D127-K159 PolarHBondContact OD2-NZ 3.4Å; D127-Y160 PolarHBondContact O-OH 3.04Å; D127-Y160 VanDerWaalsContact OD1-CE2 3.23Å; D127-Y160 WeakPolarHBondContact OD1-CE2 3.22Å; D127-Y160 VanDerWaalsContact OD1-CZ 3.3Å; D127-Y160 PolarHBondContact OD1-OH 3.34Å
128	E	98.7	Very high	98.6	Very high	30 Å²	30	37.1 Å²	37.1	14%	0.14	18%	0.181	C	C	.	.	H	α-helix	trans	-62.3	-41.8	-180	-70.8	164	-168.9	0	0	112	S124 M126 R132 K267 K271 D302	S124-E128 VanDerWaalsContact O-CB 3.29Å; S124-E128 WeakPolarHBondContact O-CB 3.25Å; S124-E128 WeakPolarHBondContact O-CG 3.31Å; S124-E128 PolarHBondContact O-N 3.46Å; M126-E128 PolarHBondContact O-N 2.75Å; E128-R132 VanDerWaalsContact O-CB 3.26Å; E128-R132 WeakPolarHBondContact O-CB 3.41Å; E128-R132 PolarHBondContact O-N 3.47Å; E128-K267 WeakPolarHBondContact OE1-CE 3.42Å; E128-K267 IonicContact OE1-NZ 2.59Å; E128-K267 PolarHBondContact OE1-NZ 3.4Å; E128-K267 WeakPolarHBondContact OE2-CE 3.43Å; E128-K267 IonicContact OE2-NZ 2.8Å; E128-K271 WeakPolarHBondContact OE2-CD 3.33Å; E128-K271 VanDerWaalsContact OE2-CE 3.3Å; E128-K271 WeakPolarHBondContact OE2-CE 3.28Å; E128-K271 IonicContact OE2-NZ 3.33Å; E128-K271 PolarHBondContact OE2-NZ 3.48Å; E128-D302 HydrophobicContact CG-CB 4.45Å
129	E	98.8	Very high	98.6	Very high	1 Å²	1	37 Å²	37	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-74.3	-32.9	178.7	-63.4	-54.3	128.1	0	0	113	A125 M126 D127 R132 D133 K271 I274 R275	A125-E129 WeakPolarHBondContact O-CG 3.37Å; A125-E129 PolarHBondContact O-N 3.46Å; A125-E129 VanDerWaalsContact O-N 3.16Å; M126-E129 PolarHBondContact O-N 2.81Å; D127-E129 PolarHBondContact O-N 2.61Å; E129-R132 PolarHBondContact O-N 3.21Å; E129-R132 IonicContact OE2-NH1 2.83Å; E129-D133 PolarHBondContact O-N 2.93Å; E129-K271 HydrophobicContact CG-CB 4.25Å; E129-K271 HydrophobicContact CG-CG 4.04Å; E129-K271 WeakPolarHBondContact OE1-CE 3.28Å; E129-K271 IonicContact OE1-NZ 3.67Å; E129-K271 PolarHBondContact OE1-NZ 3.14Å; E129-I274 HydrophobicContact CB-CB 4.23Å; E129-I274 HydrophobicContact CB-CD1 3.92Å; E129-I274 HydrophobicContact CB-CG2 3.66Å; E129-I274 HydrophobicContact CG-CB 4.05Å; E129-I274 HydrophobicContact CG-CD1 3.88Å; E129-I274 HydrophobicContact CG-CG2 3.99Å; E129-R275 VanDerWaalsContact CD-NE 3.34Å; E129-R275 IonicContact OE1-CZ 2.7Å; E129-R275 IonicContact OE1-NE 3.29Å; E129-R275 PolarHBondContact OE1-NE 2.85Å; E129-R275 VanDerWaalsContact OE1-NE 3.14Å; E129-R275 IonicContact OE1-NH2 3.83Å; E129-R275 PolarHBondContact OE1-NH2 2.69Å; E129-R275 VanDerWaalsContact OE2-CG 3.3Å; E129-R275 WeakPolarHBondContact OE2-CG 3.48Å; E129-R275 IonicContact OE2-CZ 3.09Å; E129-R275 IonicContact OE2-NE 2.71Å; E129-R275 PolarHBondContact OE2-NE 3.48Å; E129-R275 IonicContact OE2-NH2 2.81Å
130	M	98.7	Very high	98.7	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.01	17%	0.174	C	C	.	.	H	α-helix	trans	-67.9	-35.9	173.5	-74.4	-179.1	74.8	0	0	112.4	M126 D127 V136 L156 Y160 R164 V165	M126-M130 VanDerWaalsContact O-CB 3.29Å; M126-M130 WeakPolarHBondContact O-CB 3.26Å; M126-M130 WeakPolarHBondContact O-CG 3.4Å; M126-M130 PolarHBondContact O-N 2.86Å; D127-M130 PolarHBondContact O-N 2.71Å; M130-V136 HydrophobicContact CG-CB 4.42Å; M130-V136 HydrophobicContact CG-CG1 3.79Å; M130-L156 HydrophobicContact SD-CD1 4.33Å; M130-Y160 HydrophobicContact CB-CD2 4.39Å; M130-Y160 HydrophobicContact CB-CE1 4.12Å; M130-Y160 HydrophobicContact CB-CE2 3.85Å; M130-Y160 HydrophobicContact CE-CD1 4.46Å; M130-Y160 HydrophobicContact CE-CD2 3.59Å; M130-Y160 HydrophobicContact CE-CE2 4.18Å; M130-Y160 HydrophobicContact CE-CG 3.77Å; M130-Y160 HydrophobicContact SD-CD2 4.1Å; M130-Y160 HydrophobicContact SD-CE2 4.2Å; M130-R164 HydrophobicContact CE-CB 3.82Å; M130-R164 WeakPolarHBondContact CE-O 3.3Å; M130-R164 PolarHBondContact O-NH2 2.81Å; M130-V165 HydrophobicContact CE-CG2 3.8Å
131	A	98.5	Very high	98.7	Very high	69 Å²	69	32.2 Å²	32.2	57%	0.57	16%	0.156	S	C	*	.	H	α-helix	trans	-67.5	-38	171.6	0	0	0	0	0	111.8	D127 Y160	D127-A131 WeakPolarHBondContact O-CB 3.35Å; D127-A131 PolarHBondContact O-N 3.23Å; A131-Y160 WeakPolarHBondContact CB-OH 3.07Å; A131-Y160 PolarHBondContact N-OH 2.83Å
132	R	98.5	Very high	98.6	Very high	147 Å²	147	36.2 Å²	36.2	56%	0.555	18%	0.175	S	C	*	.	H	α-helix	trans	-73.1	-39.2	-176.9	179.7	-179.6	168.5	-77.3	-10.3	113.8	E128 E129	E128-R132 VanDerWaalsContact O-CB 3.26Å; E128-R132 WeakPolarHBondContact O-CB 3.41Å; E128-R132 PolarHBondContact O-N 3.47Å; E129-R132 PolarHBondContact O-N 3.21Å; E129-R132 IonicContact OE2-NH1 2.83Å
133	D	98.6	Very high	98.6	Very high	19 Å²	19	36.2 Å²	36.2	10%	0.102	18%	0.175	C	C	.	.			trans	-133.8	113	-173.9	-172.1	-17.2	0	0	0	110.9	E129 R135 V136 R164 R188	E129-D133 PolarHBondContact O-N 2.93Å; D133-R135 PolarHBondContact O-N 2.89Å; D133-R135 VanDerWaalsContact OD1-CB 3.23Å; D133-R135 WeakPolarHBondContact OD1-CB 3.4Å; D133-R135 WeakPolarHBondContact OD1-CG 3.45Å; D133-R135 IonicContact OD1-CZ 2.74Å; D133-R135 PolarHBondContact OD1-N 2.97Å; D133-R135 IonicContact OD1-NE 2.82Å; D133-R135 PolarHBondContact OD1-NE 3.47Å; D133-R135 IonicContact OD1-NH2 3.98Å; D133-R135 IonicContact OD2-CZ 3.21Å; D133-R135 IonicContact OD2-NE 2.9Å; D133-R135 PolarHBondContact OD2-NE 3.14Å; D133-R135 IonicContact OD2-NH2 3.85Å; D133-R135 PolarHBondContact OD2-NH2 3.36Å; D133-V136 HydrophobicContact CB-CG2 3.84Å; D133-V136 WeakPolarHBondContact O-CB 3.48Å; D133-V136 PolarHBondContact O-N 3.08Å; D133-R164 PolarHBondContact O-NH2 3.46Å; D133-R164 VanDerWaalsContact O-NH2 3.08Å; D133-R188 VanDerWaalsContact OD2-CD 3.23Å; D133-R188 WeakPolarHBondContact OD2-CD 3.31Å
134	E	98.5	Very high	98.6	Very high	168 Å²	168	34.8 Å²	34.8	79%	0.785	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-14.9	-178.4	65.3	176.2	176.2	0	0	114.1	R164	E134-R164 PolarHBondContact O-NE 3.2Å
135	R	98.6	Very high	98.5	Very high	111 Å²	111	40.2 Å²	40.2	42%	0.419	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-15.1	177.4	-56.9	173.8	-62.8	167.7	-0.1	112.9	D133 L187 R188	D133-R135 PolarHBondContact O-N 2.89Å; D133-R135 VanDerWaalsContact OD1-CB 3.23Å; D133-R135 WeakPolarHBondContact OD1-CB 3.4Å; D133-R135 WeakPolarHBondContact OD1-CG 3.45Å; D133-R135 IonicContact OD1-CZ 2.74Å; D133-R135 PolarHBondContact OD1-N 2.97Å; D133-R135 IonicContact OD1-NE 2.82Å; D133-R135 PolarHBondContact OD1-NE 3.47Å; D133-R135 IonicContact OD1-NH2 3.98Å; D133-R135 IonicContact OD2-CZ 3.21Å; D133-R135 IonicContact OD2-NE 2.9Å; D133-R135 PolarHBondContact OD2-NE 3.14Å; D133-R135 IonicContact OD2-NH2 3.85Å; D133-R135 PolarHBondContact OD2-NH2 3.36Å; R135-L187 HydrophobicContact CB-CD2 4.25Å; R135-R188 HydrophobicContact CB-CG 4.16Å; R135-R188 PolarHBondContact O-N 2.71Å
136	V	98.9	Very high	98.3	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.006	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	130.1	179.1	177.7	0	0	0	0	109.5	M130 D133 R164 R188 I190 I274	M130-V136 HydrophobicContact CG-CB 4.42Å; M130-V136 HydrophobicContact CG-CG1 3.79Å; D133-V136 HydrophobicContact CB-CG2 3.84Å; D133-V136 WeakPolarHBondContact O-CB 3.48Å; D133-V136 PolarHBondContact O-N 3.08Å; V136-R164 PolarHBondContact O-NE 3.27Å; V136-R164 PolarHBondContact O-NH2 3.31Å; V136-R188 VanDerWaalsContact CA-O 3.31Å; V136-R188 WeakPolarHBondContact CA-O 3.3Å; V136-R188 HydrophobicContact CB-CB 4.49Å; V136-R188 HydrophobicContact CG2-CB 3.82Å; V136-I190 HydrophobicContact CG1-CD1 3.73Å; V136-I190 HydrophobicContact CG1-CG1 4.11Å; V136-I274 HydrophobicContact CG1-CG2 3.93Å; V136-I274 HydrophobicContact CG2-CG2 3.73Å
137	F	98.9	Very high	98.2	Very high	23 Å²	23	44.8 Å²	44.8	10%	0.101	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	151.2	174.5	73.1	-79.7	0	0	0	110.3	I139 R164 V166 A182 L187 R188 P189 I190	F137-I139 HydrophobicContact CD2-CB 4.28Å; F137-I139 HydrophobicContact CE2-CB 3.92Å; F137-I139 HydrophobicContact CE2-CD1 4.41Å; F137-I139 HydrophobicContact CE2-CG2 3.96Å; F137-R164 CarbonylContact C-O 3.56Å; F137-R164 WeakPolarHBondContact CA-O 3.42Å; F137-R164 WeakPolarHBondContact CB-O 3.48Å; F137-V166 HydrophobicContact CD2-CG2 4.35Å; F137-A182 HydrophobicContact CE1-CB 4.12Å; F137-A182 HydrophobicContact CZ-CB 3.95Å; F137-L187 HydrophobicContact CD1-CB 4.37Å; F137-L187 HydrophobicContact CD1-CD1 4.44Å; F137-L187 HydrophobicContact CE1-CB 3.92Å; F137-L187 HydrophobicContact CE1-CD1 3.94Å; F137-R188 PolarHBondContact N-O 3.49Å; F137-P189 HydrophobicContact CD1-CB 4.28Å; F137-P189 HydrophobicContact CE1-CB 3.6Å; F137-P189 HydrophobicContact CE1-CG 4.14Å; F137-P189 HydrophobicContact CE2-CB 4.35Å; F137-P189 HydrophobicContact CZ-CB 3.66Å; F137-P189 HydrophobicContact CZ-CG 4.37Å; F137-P189 CarbonylContact O-C 3.53Å; F137-P189 WeakPolarHBondContact O-CA 3.31Å; F137-I190 PolarHBondContact O-N 2.9Å
138	L	98.9	Very high	98.1	Very high	0 Å²	0	43 Å²	43	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	133.9	177.4	178.8	60.2	0	0	0	109.4	M126 V143 L156 R164 V165 V166 I190 E192	M126-L138 HydrophobicContact SD-CD1 4.37Å; M126-L138 HydrophobicContact SD-CD2 4.34Å; L138-V143 HydrophobicContact CD1-CG1 4.46Å; L138-V143 HydrophobicContact CD2-CB 3.92Å; L138-V143 HydrophobicContact CD2-CG1 4.42Å; L138-V143 HydrophobicContact CD2-CG2 4.46Å; L138-V143 HydrophobicContact CG-CB 4.01Å; L138-V143 HydrophobicContact CG-CG1 4.31Å; L138-V143 HydrophobicContact CG-CG2 4.15Å; L138-L156 HydrophobicContact CD2-CD1 4.17Å; L138-R164 PolarHBondContact N-O 3.23Å; L138-V165 HydrophobicContact CB-CG1 4.39Å; L138-V165 HydrophobicContact CD2-CG1 4.16Å; L138-V165 HydrophobicContact CG-CG1 4.47Å; L138-V165 WeakPolarHBondContact O-CA 3.46Å; L138-V166 PolarHBondContact O-N 2.95Å; L138-I190 WeakPolarHBondContact CA-O 3.5Å; L138-I190 HydrophobicContact CD1-CB 4.06Å; L138-I190 HydrophobicContact CD1-CG2 3.83Å; L138-I190 WeakPolarHBondContact CD1-O 3.49Å; L138-E192 HydrophobicContact CD1-CB 4.2Å
139	I	98.9	Very high	97.8	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.01	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	133.2	176.9	-175.3	170.6	0	0	0	110.2	F137 V166 T168 F175 L178 A179 I190 C191 E192	F137-I139 HydrophobicContact CD2-CB 4.28Å; F137-I139 HydrophobicContact CE2-CB 3.92Å; F137-I139 HydrophobicContact CE2-CD1 4.41Å; F137-I139 HydrophobicContact CE2-CG2 3.96Å; I139-V166 WeakPolarHBondContact CA-O 3.06Å; I139-V166 HydrophobicContact CB-CB 4.37Å; I139-V166 HydrophobicContact CD1-CG1 4.5Å; I139-V166 HydrophobicContact CG1-CB 4.23Å; I139-V166 HydrophobicContact CG1-CG1 4.38Å; I139-T168 HydrophobicContact CD1-CG2 3.83Å; I139-T168 HydrophobicContact CG1-CG2 3.31Å; I139-F175 HydrophobicContact CD1-CB 4.32Å; I139-L178 HydrophobicContact CD1-CD2 3.77Å; I139-A179 HydrophobicContact CG2-CB 4.09Å; I139-I190 PolarHBondContact N-O 3.42Å; I139-C191 HydrophobicContact CG2-CB 4.37Å; I139-C191 WeakPolarHBondContact O-CA 3.31Å; I139-E192 PolarHBondContact O-N 3Å
140	G	98.8	Very high	97.7	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.5	-176.4	178	0	0	0	0	0	112.3	V143 V166 D167 T168	G140-V143 WeakPolarHBondContact O-CG2 3.16Å; G140-V166 PolarHBondContact N-O 3.29Å; G140-D167 CarbonylContact O-C 3.58Å; G140-D167 WeakPolarHBondContact O-CA 3.47Å; G140-T168 PolarHBondContact O-N 3.16Å; G140-T168 PolarHBondContact O-OG1 3.19Å
141	E	98.3	Very high	97.6	Very high	9 Å²	9	45.9 Å²	45.9	4%	0.042	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	129.2	177.6	-65.2	161.2	-159.5	0	0	110.2	V143 T168 I170 F175 M194	E141-V143 PolarHBondContact O-N 3.21Å; E141-V143 VanDerWaalsContact O-N 3.11Å; E141-T168 PolarHBondContact N-OG1 3.1Å; E141-I170 HydrophobicContact CG-CG1 4.4Å; E141-I170 WeakPolarHBondContact OE1-CA 3.26Å; E141-F175 HydrophobicContact CG-CE1 4.23Å; E141-F175 WeakPolarHBondContact OE1-CE1 3.24Å; E141-M194 HydrophobicContact CB-CE 4.01Å
142	E	97.5	Very high	97.6	Very high	85 Å²	85	42.7 Å²	42.7	40%	0.397	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.1	15.5	175.9	-50.8	-55.5	162.5	0	0	115.8	A144 Y146 G148 D167 M194	E142-A144 VanDerWaalsContact C-N 3.3Å; E142-A144 PolarHBondContact O-N 3.03Å; E142-Y146 HydrophobicContact CB-CD1 3.9Å; E142-Y146 HydrophobicContact CB-CG 4.18Å; E142-Y146 HydrophobicContact CG-CD1 4.44Å; E142-Y146 WeakPolarHBondContact OE2-CB 3.45Å; E142-G148 WeakPolarHBondContact O-CA 3.39Å; E142-G148 PolarHBondContact O-N 2.9Å; E142-D167 VanDerWaalsContact C-OD1 3.23Å; E142-D167 WeakPolarHBondContact CA-OD1 3.22Å; E142-D167 PolarHBondContact N-OD1 2.59Å; E142-M194 HydrophobicContact CG-CE 4.13Å
143	V	98.3	Very high	97.6	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	16%	0.163	C	C	.	.	S	Bend	trans	-72.9	-21	-177.1	-61.1	0	0	0	0	113.6	L138 G140 E141 S153 V165 V166 D167 E192	L138-V143 HydrophobicContact CD1-CG1 4.46Å; L138-V143 HydrophobicContact CD2-CB 3.92Å; L138-V143 HydrophobicContact CD2-CG1 4.42Å; L138-V143 HydrophobicContact CD2-CG2 4.46Å; L138-V143 HydrophobicContact CG-CB 4.01Å; L138-V143 HydrophobicContact CG-CG1 4.31Å; L138-V143 HydrophobicContact CG-CG2 4.15Å; G140-V143 WeakPolarHBondContact O-CG2 3.16Å; E141-V143 PolarHBondContact O-N 3.21Å; E141-V143 VanDerWaalsContact O-N 3.11Å; V143-S153 WeakPolarHBondContact O-CB 3.28Å; V143-S153 PolarHBondContact O-OG 2.92Å; V143-V165 HydrophobicContact CG2-CG1 4.11Å; V143-V165 WeakPolarHBondContact O-CG1 3.49Å; V143-V166 WeakPolarHBondContact CG2-O 3.42Å; V143-D167 PolarHBondContact N-OD1 2.83Å; V143-E192 HydrophobicContact CG1-CB 3.96Å; V143-E192 HydrophobicContact CG1-CG 4.17Å
144	A	98.3	Very high	97.6	Very high	2 Å²	2	38.6 Å²	38.6	2%	0.017	18%	0.175	C	C	.	.	S	Bend	trans	-105	-86.7	-170.5	0	0	0	0	0	112.9	E142 Y146 D147 W157 V165 D167	E142-A144 VanDerWaalsContact C-N 3.3Å; E142-A144 PolarHBondContact O-N 3.03Å; A144-Y146 VanDerWaalsContact C-N 3.31Å; A144-Y146 PolarHBondContact O-N 3.29Å; A144-D147 PolarHBondContact O-N 3.37Å; A144-D147 VanDerWaalsContact O-N 3.15Å; A144-W157 HydrophobicContact CB-CB 3.84Å; A144-W157 HydrophobicContact CB-CG 3.74Å; A144-V165 HydrophobicContact CB-CB 4.29Å; A144-V165 HydrophobicContact CB-CG1 3.65Å; A144-D167 HydrophobicContact CB-CB 4.32Å; A144-D167 VanDerWaalsContact CB-CG 3.41Å; A144-D167 WeakPolarHBondContact CB-OD1 3.3Å; A144-D167 WeakPolarHBondContact CB-OD2 3.28Å; A144-D167 PolarHBondContact N-OD1 3.12Å
145	Q	95.8	Very high	97.5	Very high	137 Å²	137	32 Å²	32	64%	0.64	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-28.5	-170.4	-63.2	-167.3	-52.7	0	0	113	D147 W157 D167	Q145-D147 PolarHBondContact O-N 2.99Å; Q145-W157 HydrophobicContact CG-CD2 4.21Å; Q145-W157 HydrophobicContact CG-CE3 4.33Å; Q145-W157 HydrophobicContact CG-CH2 4.07Å; Q145-W157 HydrophobicContact CG-CZ2 3.91Å; Q145-W157 HydrophobicContact CG-CZ3 4.27Å; Q145-D167 PolarHBondContact N-OD2 3.09Å
146	Y	95.6	Very high	97.5	Very high	76 Å²	76	26.8 Å²	26.8	30%	0.298	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	1.3	176.6	-165.7	-104.1	0	0	0	113.4	P39 E142 A144 G148 K151	P39-Y146 HydrophobicContact CB-CE2 4.4Å; E142-Y146 HydrophobicContact CB-CD1 3.9Å; E142-Y146 HydrophobicContact CB-CG 4.18Å; E142-Y146 HydrophobicContact CG-CD1 4.44Å; E142-Y146 WeakPolarHBondContact OE2-CB 3.45Å; A144-Y146 VanDerWaalsContact C-N 3.31Å; A144-Y146 PolarHBondContact O-N 3.29Å; Y146-G148 PolarHBondContact O-N 3.38Å; Y146-K151 PolarHBondContact O-NZ 3.32Å
147	D	96.8	Very high	97.5	Very high	20 Å²	20	29.7 Å²	29.7	11%	0.107	14%	0.143	C	C	.	.	S	Bend	trans	61.1	21.9	-178.7	-84.7	-44.3	0	0	0	113.5	A144 Q145 K151 K154 G155 K158	A144-D147 PolarHBondContact O-N 3.37Å; A144-D147 VanDerWaalsContact O-N 3.15Å; Q145-D147 PolarHBondContact O-N 2.99Å; D147-K151 HydrophobicContact CB-CD 4.16Å; D147-K151 VanDerWaalsContact O-CA 3.28Å; D147-K151 WeakPolarHBondContact O-CA 3.23Å; D147-K154 HydrophobicContact CB-CB 4.2Å; D147-K154 HydrophobicContact CB-CG 4.14Å; D147-K154 WeakPolarHBondContact O-CA 3.37Å; D147-K154 PolarHBondContact O-N 3.5Å; D147-K154 VanDerWaalsContact O-N 3.15Å; D147-G155 PolarHBondContact OD1-N 2.72Å; D147-K158 IonicContact OD2-NZ 2.83Å; D147-K158 PolarHBondContact OD2-NZ 2.69Å
148	G	95.8	Very high	97.5	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.168	C	C	.	.			trans	92.3	138.3	-179	0	0	0	0	0	113.1	E142 Y146 Y150 K151 S153	E142-G148 WeakPolarHBondContact O-CA 3.39Å; E142-G148 PolarHBondContact O-N 2.9Å; Y146-G148 PolarHBondContact O-N 3.38Å; G148-Y150 PolarHBondContact O-N 3.44Å; G148-K151 PolarHBondContact O-N 2.95Å; G148-K151 PolarHBondContact O-NZ 2.78Å; G148-S153 WeakPolarHBondContact CA-OG 3.28Å; G148-S153 PolarHBondContact N-OG 3.15Å
149	A	94	Very high	97.5	Very high	23 Å²	23	41.4 Å²	41.4	19%	0.19	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-39.3	178.1	0	0	0	0	0	112.5	M194	A149-M194 HydrophobicContact CB-CE 4.17Å; A149-M194 HydrophobicContact CB-CG 3.84Å; A149-M194 HydrophobicContact CB-SD 4.29Å
150	Y	95.4	Very high	97.5	Very high	44 Å²	44	43.4 Å²	43.4	17%	0.173	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.3	22.2	176	-60.8	-82.5	0	0	0	113.1	R119 G148 V152 M194 P230 E286 Y289	R119-Y150 WeakPolarHBondContact CD-O 3.45Å; R119-Y150 PolarHBondContact NE-O 3.47Å; G148-Y150 PolarHBondContact O-N 3.44Å; Y150-V152 PolarHBondContact O-N 3.12Å; Y150-V152 VanDerWaalsContact O-N 3.08Å; Y150-M194 HydrophobicContact CE2-CG 4.37Å; Y150-M194 WeakPolarHBondContact CE2-O 3.22Å; Y150-P230 HydrophobicContact CD2-CG 4.17Å; Y150-P230 HydrophobicContact CE2-CG 3.79Å; Y150-E286 HydrophobicContact CD1-CG 3.87Å; Y150-E286 HydrophobicContact CE1-CG 3.51Å; Y150-E286 WeakPolarHBondContact CE1-OE2 3.44Å; Y150-E286 PolarHBondContact OH-OE2 3.47Å; Y150-Y289 HydrophobicContact CD1-CD2 4.38Å; Y150-Y289 HydrophobicContact CD1-CE2 4.3Å; Y150-Y289 HydrophobicContact CD2-CE2 4.21Å; Y150-Y289 HydrophobicContact CG-CD2 4.16Å; Y150-Y289 AromaticContact CG-CE2 3.79Å; Y150-Y289 HydrophobicContact CG-CE2 3.79Å
151	K	97	Very high	97.4	Very high	27 Å²	27	44.7 Å²	44.7	12%	0.117	21%	0.214	C	C	.	.	S	Bend	trans	60.6	15.4	178.5	-56.2	-70.5	167.3	-96.2	0	115.7	Y38 Y146 D147 G148 S153 K154	Y38-K151 WeakPolarHBondContact OH-CE 3.18Å; Y146-K151 PolarHBondContact O-NZ 3.32Å; D147-K151 HydrophobicContact CB-CD 4.16Å; D147-K151 VanDerWaalsContact O-CA 3.28Å; D147-K151 WeakPolarHBondContact O-CA 3.23Å; G148-K151 PolarHBondContact O-N 2.95Å; G148-K151 PolarHBondContact O-NZ 2.78Å; K151-S153 VanDerWaalsContact C-N 3.33Å; K151-S153 PolarHBondContact O-N 2.86Å; K151-K154 WeakPolarHBondContact O-CB 3.43Å; K151-K154 PolarHBondContact O-N 3.07Å
152	V	98.3	Very high	97.4	Very high	2 Å²	2	50 Å²	50	1%	0.012	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-31.2	178.8	-173.9	0	0	0	0	111.9	R119 L122 N123 M126 Y150 R228 Y289	R119-V152 HydrophobicContact CG-CB 4.44Å; R119-V152 HydrophobicContact CG-CG2 4.05Å; L122-V152 HydrophobicContact CB-CG1 3.49Å; L122-V152 VanDerWaalsContact CB-CG1 3.49Å; L122-V152 HydrophobicContact CD1-CG1 4.05Å; L122-V152 HydrophobicContact CG-CG1 4.41Å; N123-V152 VanDerWaalsContact CB-O 3.24Å; N123-V152 WeakPolarHBondContact CB-O 3.31Å; N123-V152 PolarHBondContact ND2-O 3.19Å; M126-V152 HydrophobicContact CE-CG1 3.79Å; Y150-V152 PolarHBondContact O-N 3.12Å; Y150-V152 VanDerWaalsContact O-N 3.08Å; V152-R228 VanDerWaalsContact CG1-NH2 3.31Å; V152-Y289 HydrophobicContact CG2-CD1 4.23Å; V152-Y289 HydrophobicContact CG2-CD2 4.44Å; V152-Y289 HydrophobicContact CG2-CE1 3.98Å; V152-Y289 HydrophobicContact CG2-CE2 4.19Å; V152-Y289 HydrophobicContact CG2-CG 4.47Å
153	S	98.4	Very high	97.5	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	13.1	177.2	60.9	0	0	0	0	114	V143 G148 K151 G155 L156	V143-S153 WeakPolarHBondContact O-CB 3.28Å; V143-S153 PolarHBondContact O-OG 2.92Å; G148-S153 WeakPolarHBondContact CA-OG 3.28Å; G148-S153 PolarHBondContact N-OG 3.15Å; K151-S153 VanDerWaalsContact C-N 3.33Å; K151-S153 PolarHBondContact O-N 2.86Å; S153-G155 PolarHBondContact O-N 3.36Å; S153-L156 WeakPolarHBondContact O-CB 3.48Å; S153-L156 WeakPolarHBondContact O-CG 3.48Å; S153-L156 PolarHBondContact O-N 2.83Å
154	K	97.9	Very high	97.5	Very high	81 Å²	81	56.4 Å²	56.4	35%	0.352	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.6	128.1	-178.2	-175.1	176.9	-176.7	178.3	0	110.9	D26 N123 D147 K151 L156	D26-K154 IonicContact OD1-NZ 3.96Å; D26-K154 PolarHBondContact OD1-NZ 3.1Å; D26-K154 IonicContact OD2-NZ 3.1Å; D26-K154 PolarHBondContact OD2-NZ 3.24Å; N123-K154 PolarHBondContact ND2-N 2.78Å; N123-K154 PolarHBondContact ND2-O 3.18Å; D147-K154 HydrophobicContact CB-CB 4.2Å; D147-K154 HydrophobicContact CB-CG 4.14Å; D147-K154 WeakPolarHBondContact O-CA 3.37Å; D147-K154 PolarHBondContact O-N 3.5Å; D147-K154 VanDerWaalsContact O-N 3.15Å; K151-K154 WeakPolarHBondContact O-CB 3.43Å; K151-K154 PolarHBondContact O-N 3.07Å; K154-L156 VanDerWaalsContact C-N 3.27Å; K154-L156 PolarHBondContact O-N 3.27Å
155	G	98.1	Very high	97.5	Very high	28 Å²	28	56.4 Å²	56.4	29%	0.289	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.2	-12.6	176.7	0	0	0	0	0	116	D147 S153 K158 K159	D147-G155 PolarHBondContact OD1-N 2.72Å; S153-G155 PolarHBondContact O-N 3.36Å; G155-K158 PolarHBondContact O-N 3.19Å; G155-K159 WeakPolarHBondContact O-CB 3.48Å; G155-K159 PolarHBondContact O-N 3.13Å; G155-K159 VanDerWaalsContact O-N 3.1Å
156	L	98.7	Very high	97.6	Very high	2 Å²	2	52 Å²	52	1%	0.01	25%	0.251	C	S	.	.	H	α-helix	trans	-66.3	-43	-176.9	-64.4	-177.5	0	0	0	112.1	M126 D127 M130 L138 S153 K154 K159 Y160 V165	M126-L156 HydrophobicContact CB-CD1 3.96Å; M126-L156 HydrophobicContact CE-CD1 3.97Å; M126-L156 HydrophobicContact SD-CD1 4.42Å; D127-L156 HydrophobicContact CB-CD2 3.81Å; M130-L156 HydrophobicContact SD-CD1 4.33Å; L138-L156 HydrophobicContact CD2-CD1 4.17Å; S153-L156 WeakPolarHBondContact O-CB 3.48Å; S153-L156 WeakPolarHBondContact O-CG 3.48Å; S153-L156 PolarHBondContact O-N 2.83Å; K154-L156 VanDerWaalsContact C-N 3.27Å; K154-L156 PolarHBondContact O-N 3.27Å; L156-K159 PolarHBondContact O-N 3.03Å; L156-Y160 HydrophobicContact CD2-CD2 4.47Å; L156-Y160 HydrophobicContact CD2-CE2 4.13Å; L156-Y160 WeakPolarHBondContact O-CD2 3.46Å; L156-Y160 PolarHBondContact O-N 2.97Å; L156-V165 HydrophobicContact CB-CG2 3.96Å
157	W	98.7	Very high	97.8	Very high	63 Å²	63	51.1 Å²	51.1	24%	0.239	25%	0.251	C	S	.	.	H	α-helix	trans	-64.2	-43.7	177.6	173.6	76	0	0	0	111.9	A144 Q145 K159 Y160 G161 D162 V165	A144-W157 HydrophobicContact CB-CB 3.84Å; A144-W157 HydrophobicContact CB-CG 3.74Å; Q145-W157 HydrophobicContact CG-CD2 4.21Å; Q145-W157 HydrophobicContact CG-CE3 4.33Å; Q145-W157 HydrophobicContact CG-CH2 4.07Å; Q145-W157 HydrophobicContact CG-CZ2 3.91Å; Q145-W157 HydrophobicContact CG-CZ3 4.27Å; W157-K159 PolarHBondContact O-N 3.42Å; W157-Y160 PolarHBondContact O-N 3.17Å; W157-G161 WeakPolarHBondContact O-CA 3.25Å; W157-G161 PolarHBondContact O-N 2.7Å; W157-D162 PolarHBondContact NE1-OD1 3.05Å; W157-V165 HydrophobicContact CB-CB 4Å; W157-V165 HydrophobicContact CB-CG1 3.99Å; W157-V165 HydrophobicContact CB-CG2 4.48Å
158	K	98.2	Very high	97.9	Very high	147 Å²	147	51.3 Å²	51.3	64%	0.639	25%	0.253	S	S	*	.	H	α-helix	trans	-57.1	-33.2	174.7	-68.6	169	178.7	147.6	0	111.9	D147 G155	D147-K158 IonicContact OD2-NZ 2.83Å; D147-K158 PolarHBondContact OD2-NZ 2.69Å; G155-K158 PolarHBondContact O-N 3.19Å
159	K	98.6	Very high	98	Very high	121 Å²	121	55.9 Å²	55.9	53%	0.526	28%	0.283	S	S	.	.	H	α-helix	trans	-83.2	-41.6	-180	-174.6	172.9	179.1	179.3	0	114.1	D127 G155 L156 W157	D127-K159 WeakPolarHBondContact OD1-CD 3.41Å; D127-K159 WeakPolarHBondContact OD1-CE 3.41Å; D127-K159 IonicContact OD1-NZ 3.73Å; D127-K159 PolarHBondContact OD1-NZ 3.14Å; D127-K159 IonicContact OD2-NZ 3.53Å; D127-K159 PolarHBondContact OD2-NZ 3.4Å; G155-K159 WeakPolarHBondContact O-CB 3.48Å; G155-K159 PolarHBondContact O-N 3.13Å; G155-K159 VanDerWaalsContact O-N 3.1Å; L156-K159 PolarHBondContact O-N 3.03Å; W157-K159 PolarHBondContact O-N 3.42Å
160	Y	98.6	Very high	98.2	Very high	44 Å²	44	60.9 Å²	60.9	17%	0.173	31%	0.305	C	S	.	.	H	α-helix	trans	-112.4	-15.5	-169.1	-63.8	-73.6	0	0	0	115.4	D127 M130 A131 L156 W157	D127-Y160 PolarHBondContact O-OH 3.04Å; D127-Y160 VanDerWaalsContact OD1-CE2 3.23Å; D127-Y160 WeakPolarHBondContact OD1-CE2 3.22Å; D127-Y160 VanDerWaalsContact OD1-CZ 3.3Å; D127-Y160 PolarHBondContact OD1-OH 3.34Å; M130-Y160 HydrophobicContact CB-CD2 4.39Å; M130-Y160 HydrophobicContact CB-CE1 4.12Å; M130-Y160 HydrophobicContact CB-CE2 3.85Å; M130-Y160 HydrophobicContact CE-CD1 4.46Å; M130-Y160 HydrophobicContact CE-CD2 3.59Å; M130-Y160 HydrophobicContact CE-CE2 4.18Å; M130-Y160 HydrophobicContact CE-CG 3.77Å; M130-Y160 HydrophobicContact SD-CD2 4.1Å; M130-Y160 HydrophobicContact SD-CE2 4.2Å; A131-Y160 WeakPolarHBondContact CB-OH 3.07Å; A131-Y160 PolarHBondContact N-OH 2.83Å; L156-Y160 HydrophobicContact CD2-CD2 4.47Å; L156-Y160 HydrophobicContact CD2-CE2 4.13Å; L156-Y160 WeakPolarHBondContact O-CD2 3.46Å; L156-Y160 PolarHBondContact O-N 2.97Å; W157-Y160 PolarHBondContact O-N 3.17Å
161	G	98.3	Very high	98.3	Very high	27 Å²	27	61.9 Å²	61.9	28%	0.278	32%	0.316	S	S	.	.			trans	71.2	-179.8	176.8	0	0	0	0	0	115.7	W157 K163 R164 V165	W157-G161 WeakPolarHBondContact O-CA 3.25Å; W157-G161 PolarHBondContact O-N 2.7Å; G161-K163 PolarHBondContact O-N 2.71Å; G161-R164 PolarHBondContact O-N 3.36Å; G161-V165 PolarHBondContact O-N 2.8Å; G161-V165 VanDerWaalsContact O-N 3.13Å
162	D	97.9	Very high	98.4	Very high	121 Å²	121	60.9 Å²	60.9	65%	0.647	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-25.3	-169.9	-56	-29.6	0	0	0	114.8	W157 R164 V166	W157-D162 PolarHBondContact NE1-OD1 3.05Å; D162-R164 VanDerWaalsContact C-N 3.29Å; D162-R164 PolarHBondContact O-N 3.03Å; D162-V166 WeakPolarHBondContact O-CG2 3.39Å
163	K	98.2	Very high	98.4	Very high	185 Å²	185	64.5 Å²	64.5	80%	0.804	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-24.5	180	-175.6	177.8	176.3	-171.1	0	112.4	G161	G161-K163 PolarHBondContact O-N 2.71Å
164	R	98.6	Very high	98.4	Very high	35 Å²	35	66.8 Å²	66.8	13%	0.132	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.9	-20.6	-166.4	-63.5	-65.5	-62.7	-73.4	1.3	113.2	M130 D133 E134 V136 F137 L138 G161 D162	M130-R164 HydrophobicContact CE-CB 3.82Å; M130-R164 WeakPolarHBondContact CE-O 3.3Å; M130-R164 PolarHBondContact O-NH2 2.81Å; D133-R164 PolarHBondContact O-NH2 3.46Å; D133-R164 VanDerWaalsContact O-NH2 3.08Å; E134-R164 PolarHBondContact O-NE 3.2Å; V136-R164 PolarHBondContact O-NE 3.27Å; V136-R164 PolarHBondContact O-NH2 3.31Å; F137-R164 CarbonylContact C-O 3.56Å; F137-R164 WeakPolarHBondContact CA-O 3.42Å; F137-R164 WeakPolarHBondContact CB-O 3.48Å; L138-R164 PolarHBondContact N-O 3.23Å; G161-R164 PolarHBondContact O-N 3.36Å; D162-R164 VanDerWaalsContact C-N 3.29Å; D162-R164 PolarHBondContact O-N 3.03Å
165	V	98.8	Very high	98.5	Very high	1 Å²	1	63.2 Å²	63.2	1%	0.006	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	109.6	172.4	-171.3	0	0	0	0	107.3	M130 L138 V143 A144 L156 W157 G161	M130-V165 HydrophobicContact CE-CG2 3.8Å; L138-V165 HydrophobicContact CB-CG1 4.39Å; L138-V165 HydrophobicContact CD2-CG1 4.16Å; L138-V165 HydrophobicContact CG-CG1 4.47Å; L138-V165 WeakPolarHBondContact O-CA 3.46Å; V143-V165 HydrophobicContact CG2-CG1 4.11Å; V143-V165 WeakPolarHBondContact O-CG1 3.49Å; A144-V165 HydrophobicContact CB-CB 4.29Å; A144-V165 HydrophobicContact CB-CG1 3.65Å; L156-V165 HydrophobicContact CB-CG2 3.96Å; W157-V165 HydrophobicContact CB-CB 4Å; W157-V165 HydrophobicContact CB-CG1 3.99Å; W157-V165 HydrophobicContact CB-CG2 4.48Å; G161-V165 PolarHBondContact O-N 2.8Å; G161-V165 VanDerWaalsContact O-N 3.13Å
166	V	98.7	Very high	98.5	Very high	46 Å²	46	61.9 Å²	61.9	28%	0.279	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	108.8	-164.1	-175.2	0	0	0	0	109.9	F137 L138 I139 G140 V143 D162	F137-V166 HydrophobicContact CD2-CG2 4.35Å; L138-V166 PolarHBondContact O-N 2.95Å; I139-V166 WeakPolarHBondContact CA-O 3.06Å; I139-V166 HydrophobicContact CB-CB 4.37Å; I139-V166 HydrophobicContact CD1-CG1 4.5Å; I139-V166 HydrophobicContact CG1-CB 4.23Å; I139-V166 HydrophobicContact CG1-CG1 4.38Å; G140-V166 PolarHBondContact N-O 3.29Å; V143-V166 WeakPolarHBondContact CG2-O 3.42Å; D162-V166 WeakPolarHBondContact O-CG2 3.39Å
167	D	98.6	Very high	98.5	Very high	57 Å²	57	62.6 Å²	62.6	31%	0.305	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	140	167.6	-78.7	-32.6	0	0	0	110.7	G140 E142 V143 A144 Q145	G140-D167 CarbonylContact O-C 3.58Å; G140-D167 WeakPolarHBondContact O-CA 3.47Å; E142-D167 VanDerWaalsContact C-OD1 3.23Å; E142-D167 WeakPolarHBondContact CA-OD1 3.22Å; E142-D167 PolarHBondContact N-OD1 2.59Å; V143-D167 PolarHBondContact N-OD1 2.83Å; A144-D167 HydrophobicContact CB-CB 4.32Å; A144-D167 VanDerWaalsContact CB-CG 3.41Å; A144-D167 WeakPolarHBondContact CB-OD1 3.3Å; A144-D167 WeakPolarHBondContact CB-OD2 3.28Å; A144-D167 PolarHBondContact N-OD1 3.12Å; Q145-D167 PolarHBondContact N-OD2 3.09Å
168	T	98.5	Very high	98.5	Very high	24 Å²	24	65 Å²	65	15%	0.147	35%	0.348	C	S	.	.			trans	-116.6	154.9	179.8	63	0	0	0	0	112.1	I139 G140 E141 F175	I139-T168 HydrophobicContact CD1-CG2 3.83Å; I139-T168 HydrophobicContact CG1-CG2 3.31Å; G140-T168 PolarHBondContact O-N 3.16Å; G140-T168 PolarHBondContact O-OG1 3.19Å; E141-T168 PolarHBondContact N-OG1 3.1Å; T168-F175 HydrophobicContact CG2-CB 3.67Å; T168-F175 HydrophobicContact CG2-CD1 4.29Å; T168-F175 HydrophobicContact CG2-CG 4.01Å; T168-F175 WeakPolarHBondContact OG1-CD1 3.22Å
169	P	98.1	Very high	98.5	Very high	95 Å²	95	58 Å²	58	62%	0.617	32%	0.318	S	S	*	.			trans	-60.9	158.1	158.4	-16.3	30.7	0	0	0	110.9	T171	P169-T171 VanDerWaalsContact C-N 3.26Å; P169-T171 HydrophobicContact CB-CG2 4.13Å; P169-T171 PolarHBondContact O-N 3.12Å; P169-T171 PolarHBondContact O-OG1 3.35Å
170	I	98.3	Very high	98.6	Very high	128 Å²	128	52.3 Å²	52.3	66%	0.656	29%	0.293	S	S	*	.	S	Bend	trans	-70.2	82	175	-52.2	170.2	0	0	0	109.5	E141	E141-I170 HydrophobicContact CG-CG1 4.4Å; E141-I170 WeakPolarHBondContact OE1-CA 3.26Å
171	T	98.3	Very high	98.5	Very high	65 Å²	65	52 Å²	52	40%	0.399	30%	0.304	S	S	.	.			trans	-151.6	59.5	-168.8	51.1	0	0	0	0	110.4	P169 M173 G174 F175	P169-T171 VanDerWaalsContact C-N 3.26Å; P169-T171 HydrophobicContact CB-CG2 4.13Å; P169-T171 PolarHBondContact O-N 3.12Å; P169-T171 PolarHBondContact O-OG1 3.35Å; T171-M173 VanDerWaalsContact C-N 3.3Å; T171-M173 PolarHBondContact O-N 3.34Å; T171-M173 VanDerWaalsContact O-N 3.14Å; T171-G174 WeakPolarHBondContact O-CA 3.3Å; T171-G174 PolarHBondContact O-N 3.38Å; T171-F175 VanDerWaalsContact O-CD1 3.31Å; T171-F175 WeakPolarHBondContact O-CD1 3.16Å; T171-F175 PolarHBondContact O-N 2.8Å
172	E	98.8	Very high	98.6	Very high	6 Å²	6	51.6 Å²	51.6	3%	0.028	30%	0.298	C	S	.	.	H	α-helix	trans	-47.4	-48.1	-170.3	-64.8	93.4	139.5	0	0	113.1	G174 F175 C176 F193 F198 Q201 A202	E172-G174 VanDerWaalsContact C-N 3.31Å; E172-G174 PolarHBondContact O-N 2.81Å; E172-F175 HydrophobicContact CB-CE1 4.18Å; E172-F175 HydrophobicContact CB-CZ 4.24Å; E172-F175 HydrophobicContact CG-CE1 4.04Å; E172-F175 HydrophobicContact CG-CZ 4.09Å; E172-C176 WeakPolarHBondContact O-CB 3.31Å; E172-C176 PolarHBondContact O-N 3.3Å; E172-F193 HydrophobicContact CB-CD1 4.33Å; E172-F193 HydrophobicContact CB-CE1 4.02Å; E172-F193 HydrophobicContact CG-CD1 4.17Å; E172-F193 HydrophobicContact CG-CE1 4.36Å; E172-F198 HydrophobicContact CG-CB 4.16Å; E172-F198 WeakPolarHBondContact OE1-CB 3.48Å; E172-Q201 HydrophobicContact CB-CB 3.95Å; E172-Q201 PolarHBondContact OE1-NE2 3.07Å; E172-Q201 PolarHBondContact OE2-NE2 3.39Å; E172-Q201 PolarHBondContact OE2-OE1 3.19Å; E172-A202 HydrophobicContact CB-CB 4.17Å; E172-A202 WeakPolarHBondContact O-CB 3.44Å
173	M	98.8	Very high	98.6	Very high	78 Å²	78	45.9 Å²	45.9	38%	0.384	27%	0.267	S	S	.	.	H	α-helix	trans	-60.3	-41.1	176.4	-176.9	63	86.8	0	0	112.4	T171 G177 Q201 D204 Q205	T171-M173 VanDerWaalsContact C-N 3.3Å; T171-M173 PolarHBondContact O-N 3.34Å; T171-M173 VanDerWaalsContact O-N 3.14Å; M173-G177 PolarHBondContact O-N 3.1Å; M173-Q201 WeakPolarHBondContact CE-O 3.26Å; M173-D204 HydrophobicContact CE-CB 3.97Å; M173-Q205 HydrophobicContact SD-CG 3.48Å; M173-Q205 WeakPolarHBondContact SD-CG 3.31Å
174	G	98.7	Very high	98.6	Very high	48 Å²	48	40.3 Å²	40.3	50%	0.495	25%	0.245	S	C	.	.	H	α-helix	trans	-68.7	-56.6	-176.7	0	0	0	0	0	112.4	T171 E172 C176 G177 L178	T171-G174 WeakPolarHBondContact O-CA 3.3Å; T171-G174 PolarHBondContact O-N 3.38Å; E172-G174 VanDerWaalsContact C-N 3.31Å; E172-G174 PolarHBondContact O-N 2.81Å; G174-C176 VanDerWaalsContact C-N 3.34Å; G174-C176 PolarHBondContact O-N 2.84Å; G174-G177 PolarHBondContact O-N 3.49Å; G174-L178 PolarHBondContact O-N 3.38Å
175	F	98.7	Very high	98.6	Very high	6 Å²	6	42.8 Å²	42.8	3%	0.026	27%	0.273	C	S	.	.	H	α-helix	trans	-70.1	-32	-178.7	71.6	-110.9	0	0	0	112.4	I139 E141 T168 T171 E172 L178 A179 F193	I139-F175 HydrophobicContact CD1-CB 4.32Å; E141-F175 HydrophobicContact CG-CE1 4.23Å; E141-F175 WeakPolarHBondContact OE1-CE1 3.24Å; T168-F175 HydrophobicContact CG2-CB 3.67Å; T168-F175 HydrophobicContact CG2-CD1 4.29Å; T168-F175 HydrophobicContact CG2-CG 4.01Å; T168-F175 WeakPolarHBondContact OG1-CD1 3.22Å; T171-F175 VanDerWaalsContact O-CD1 3.31Å; T171-F175 WeakPolarHBondContact O-CD1 3.16Å; T171-F175 PolarHBondContact O-N 2.8Å; E172-F175 HydrophobicContact CB-CE1 4.18Å; E172-F175 HydrophobicContact CB-CZ 4.24Å; E172-F175 HydrophobicContact CG-CE1 4.04Å; E172-F175 HydrophobicContact CG-CZ 4.09Å; F175-L178 WeakPolarHBondContact O-CB 3.42Å; F175-L178 PolarHBondContact O-N 2.92Å; F175-A179 WeakPolarHBondContact O-CB 3.5Å; F175-A179 PolarHBondContact O-N 2.64Å; F175-F193 HydrophobicContact CE2-CD1 4.17Å; F175-F193 AromaticContact CE2-CE1 3.94Å; F175-F193 HydrophobicContact CE2-CE1 3.94Å; F175-F193 AromaticContact CZ-CD1 3.93Å; F175-F193 HydrophobicContact CZ-CD1 3.93Å; F175-F193 AromaticContact CZ-CE1 3.98Å; F175-F193 HydrophobicContact CZ-CE1 3.98Å
176	C	98.9	Very high	98.5	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-64.8	-41.8	173.5	-176.6	0	0	0	0	111.2	E172 G174 A179 C180 F193 A202 Q205 F227	E172-C176 WeakPolarHBondContact O-CB 3.31Å; E172-C176 PolarHBondContact O-N 3.3Å; G174-C176 VanDerWaalsContact C-N 3.34Å; G174-C176 PolarHBondContact O-N 2.84Å; C176-A179 PolarHBondContact O-N 3.4Å; C176-C180 PolarHBondContact O-N 3.16Å; C176-C180 PolarHBondContact O-SG 3.1Å; C176-F193 HydrophobicContact CB-CE1 4.38Å; C176-F193 HydrophobicContact CB-CZ 3.98Å; C176-A202 HydrophobicContact CB-CB 3.69Å; C176-Q205 HydrophobicContact CB-CB 4.3Å; C176-Q205 VanDerWaalsContact SG-CB 3.59Å; C176-F227 WeakPolarHBondContact SG-CE1 3.33Å
177	G	98.7	Very high	98.5	Very high	17 Å²	17	45.9 Å²	45.9	18%	0.175	30%	0.296	C	S	.	.	H	α-helix	trans	-63.6	-40.2	173.9	0	0	0	0	0	112.9	M173 G174 C180 G181	M173-G177 PolarHBondContact O-N 3.1Å; G174-G177 PolarHBondContact O-N 3.49Å; G177-C180 PolarHBondContact O-N 3.42Å; G177-G181 PolarHBondContact O-N 2.94Å
178	L	98.6	Very high	98.5	Very high	114 Å²	114	44.5 Å²	44.5	60%	0.597	29%	0.287	S	S	*	.	H	α-helix	trans	-59.6	-47.1	173.2	-176	76.5	0	0	0	111.2	I139 G174 F175 G181 A182	I139-L178 HydrophobicContact CD1-CD2 3.77Å; G174-L178 PolarHBondContact O-N 3.38Å; F175-L178 WeakPolarHBondContact O-CB 3.42Å; F175-L178 PolarHBondContact O-N 2.92Å; L178-G181 PolarHBondContact O-N 3.41Å; L178-A182 WeakPolarHBondContact O-CB 3.23Å; L178-A182 PolarHBondContact O-N 3.25Å
179	A	98.8	Very high	98.5	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-61.1	-44.2	176.4	0	0	0	0	0	111.3	I139 F175 C176 G181 A182 A183 P189 C191 I225	I139-A179 HydrophobicContact CG2-CB 4.09Å; F175-A179 WeakPolarHBondContact O-CB 3.5Å; F175-A179 PolarHBondContact O-N 2.64Å; C176-A179 PolarHBondContact O-N 3.4Å; A179-G181 PolarHBondContact O-N 3.42Å; A179-A182 PolarHBondContact O-N 3.42Å; A179-A183 PolarHBondContact O-N 3.45Å; A179-P189 HydrophobicContact CB-CB 3.98Å; A179-P189 HydrophobicContact CB-CG 4.17Å; A179-P189 WeakPolarHBondContact O-CG 3.35Å; A179-C191 HydrophobicContact CB-CB 4.04Å; A179-I225 HydrophobicContact CB-CD1 3.56Å
180	C	98.7	Very high	98.6	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.014	25%	0.251	C	S	.	.	H	α-helix	trans	-58.4	-47.2	175.1	-66.6	0	0	0	0	111.7	C176 G177 A182 A183 M184	C176-C180 PolarHBondContact O-N 3.16Å; C176-C180 PolarHBondContact O-SG 3.1Å; G177-C180 PolarHBondContact O-N 3.42Å; C180-A182 PolarHBondContact O-N 2.62Å; C180-A183 WeakPolarHBondContact O-CB 3.08Å; C180-A183 PolarHBondContact O-N 3.05Å; C180-M184 WeakPolarHBondContact O-CG 3.44Å; C180-M184 PolarHBondContact O-N 3.33Å
181	G	98.5	Very high	98.6	Very high	38 Å²	38	32.8 Å²	32.8	39%	0.392	22%	0.22	S	C	.	.	H	α-helix	trans	-61.9	-41.4	176.8	0	0	0	0	0	113.1	G177 L178 A179 A183 M184 A185	G177-G181 PolarHBondContact O-N 2.94Å; L178-G181 PolarHBondContact O-N 3.41Å; A179-G181 PolarHBondContact O-N 3.42Å; G181-A183 PolarHBondContact O-N 3.43Å; G181-M184 PolarHBondContact O-N 3.33Å; G181-A185 WeakPolarHBondContact O-CB 3.32Å; G181-A185 PolarHBondContact O-N 3.25Å
182	A	98.6	Very high	98.6	Very high	18 Å²	18	30 Å²	30	15%	0.149	20%	0.202	C	C	.	.	H	α-helix	trans	-62.1	-41.4	175.4	0	0	0	0	0	112.1	F137 L178 A179 C180 A185 G186 L187	F137-A182 HydrophobicContact CE1-CB 4.12Å; F137-A182 HydrophobicContact CZ-CB 3.95Å; L178-A182 WeakPolarHBondContact O-CB 3.23Å; L178-A182 PolarHBondContact O-N 3.25Å; A179-A182 PolarHBondContact O-N 3.42Å; C180-A182 PolarHBondContact O-N 2.62Å; A182-A185 PolarHBondContact O-N 2.85Å; A182-G186 PolarHBondContact O-N 3.32Å; A182-L187 HydrophobicContact CB-CB 4.33Å; A182-L187 HydrophobicContact CB-CD1 4.16Å; A182-L187 WeakPolarHBondContact O-CB 3.45Å; A182-L187 PolarHBondContact O-N 3.27Å
183	A	98.7	Very high	98.6	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.008	20%	0.201	C	C	.	.	H	α-helix	trans	-61.9	-46.7	176	0	0	0	0	0	111.6	A179 C180 G181 A185 G186 L187 P189 P224 I225	A179-A183 PolarHBondContact O-N 3.45Å; C180-A183 WeakPolarHBondContact O-CB 3.08Å; C180-A183 PolarHBondContact O-N 3.05Å; G181-A183 PolarHBondContact O-N 3.43Å; A183-A185 PolarHBondContact O-N 3.49Å; A183-G186 PolarHBondContact O-N 3.5Å; A183-L187 WeakPolarHBondContact CA-O 3.42Å; A183-P189 HydrophobicContact CB-CG 3.85Å; A183-P224 HydrophobicContact CB-CG 4.42Å; A183-I225 HydrophobicContact CB-CB 4Å
184	M	97.9	Very high	98.6	Very high	67 Å²	67	28.4 Å²	28.4	33%	0.33	19%	0.194	S	C	.	.	H	α-helix	trans	-62.9	-30.1	176.3	-65.4	174.6	-170.5	0	0	112.6	C180 G181 G186 S209 T213 I221	C180-M184 WeakPolarHBondContact O-CG 3.44Å; C180-M184 PolarHBondContact O-N 3.33Å; G181-M184 PolarHBondContact O-N 3.33Å; M184-G186 VanDerWaalsContact C-N 3.25Å; M184-G186 PolarHBondContact O-N 3.13Å; M184-S209 WeakPolarHBondContact CE-O 3.13Å; M184-T213 HydrophobicContact CE-CG2 4.07Å; M184-I221 HydrophobicContact CB-CG2 4.06Å; M184-I221 HydrophobicContact CG-CG2 3.82Å; M184-I221 HydrophobicContact SD-CG2 4.32Å
185	A	98	Very high	98.6	Very high	87 Å²	87	26.5 Å²	26.5	72%	0.719	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-0.4	175	0	0	0	0	0	114	G181 A182 A183	G181-A185 WeakPolarHBondContact O-CB 3.32Å; G181-A185 PolarHBondContact O-N 3.25Å; A182-A185 PolarHBondContact O-N 2.85Å; A183-A185 PolarHBondContact O-N 3.49Å
186	G	97.4	Very high	98.5	Very high	38 Å²	38	26.3 Å²	26.3	39%	0.392	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	103.9	3.8	173.4	0	0	0	0	0	115.8	A182 A183 M184	A182-G186 PolarHBondContact O-N 3.32Å; A183-G186 PolarHBondContact O-N 3.5Å; M184-G186 VanDerWaalsContact C-N 3.25Å; M184-G186 PolarHBondContact O-N 3.13Å
187	L	98.6	Very high	98.5	Very high	74 Å²	74	26.6 Å²	26.6	39%	0.387	17%	0.174	S	C	.	.			trans	-81.3	174.4	169.3	-60	-178.7	0	0	0	111.4	R135 F137 A182 A183 P224	R135-L187 HydrophobicContact CB-CD2 4.25Å; F137-L187 HydrophobicContact CD1-CB 4.37Å; F137-L187 HydrophobicContact CD1-CD1 4.44Å; F137-L187 HydrophobicContact CE1-CB 3.92Å; F137-L187 HydrophobicContact CE1-CD1 3.94Å; A182-L187 HydrophobicContact CB-CB 4.33Å; A182-L187 HydrophobicContact CB-CD1 4.16Å; A182-L187 WeakPolarHBondContact O-CB 3.45Å; A182-L187 PolarHBondContact O-N 3.27Å; A183-L187 WeakPolarHBondContact CA-O 3.42Å; L187-P224 WeakPolarHBondContact O-CG 3.4Å
188	R	98.8	Very high	98.5	Very high	28 Å²	28	28 Å²	28	11%	0.106	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	68.4	-178.6	-55.6	-171.7	72.6	73.1	5.5	111.6	D133 R135 V136 F137 P224 I274 R275 D276	D133-R188 VanDerWaalsContact OD2-CD 3.23Å; D133-R188 WeakPolarHBondContact OD2-CD 3.31Å; R135-R188 HydrophobicContact CB-CG 4.16Å; R135-R188 PolarHBondContact O-N 2.71Å; V136-R188 VanDerWaalsContact CA-O 3.31Å; V136-R188 WeakPolarHBondContact CA-O 3.3Å; V136-R188 HydrophobicContact CB-CB 4.49Å; V136-R188 HydrophobicContact CG2-CB 3.82Å; F137-R188 PolarHBondContact N-O 3.49Å; R188-P224 WeakPolarHBondContact CA-O 3.45Å; R188-I274 VanDerWaalsContact CZ-O 3.25Å; R188-I274 PolarHBondContact NE-O 3.27Å; R188-I274 PolarHBondContact NH2-O 3.44Å; R188-R275 PolarHBondContact NH2-O 3.26Å; R188-D276 PolarHBondContact NH2-O 3.29Å
189	P	98.9	Very high	98.5	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.006	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	141.3	-176.1	18.3	-23.7	0	0	0	113.1	F137 A179 A183 I225 V226	F137-P189 HydrophobicContact CD1-CB 4.28Å; F137-P189 HydrophobicContact CE1-CB 3.6Å; F137-P189 HydrophobicContact CE1-CG 4.14Å; F137-P189 HydrophobicContact CE2-CB 4.35Å; F137-P189 HydrophobicContact CZ-CB 3.66Å; F137-P189 HydrophobicContact CZ-CG 4.37Å; F137-P189 CarbonylContact O-C 3.53Å; F137-P189 WeakPolarHBondContact O-CA 3.31Å; A179-P189 HydrophobicContact CB-CB 3.98Å; A179-P189 HydrophobicContact CB-CG 4.17Å; A179-P189 WeakPolarHBondContact O-CG 3.35Å; A183-P189 HydrophobicContact CB-CG 3.85Å; P189-I225 HydrophobicContact CB-CD1 4.43Å; P189-I225 HydrophobicContact CB-CG1 4.38Å; P189-I225 HydrophobicContact CG-CB 4.19Å; P189-I225 HydrophobicContact CG-CD1 3.9Å; P189-I225 HydrophobicContact CG-CG1 3.89Å; P189-V226 PolarHBondContact O-N 2.8Å
190	I	98.9	Very high	98.5	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	104.2	159.9	-53.4	171.9	0	0	0	105.2	M126 V136 F137 L138 I139 R228 I274	M126-I190 HydrophobicContact CG-CD1 4.08Å; M126-I190 HydrophobicContact SD-CD1 4.46Å; M126-I190 HydrophobicContact SD-CG2 4.35Å; V136-I190 HydrophobicContact CG1-CD1 3.73Å; V136-I190 HydrophobicContact CG1-CG1 4.11Å; F137-I190 PolarHBondContact O-N 2.9Å; L138-I190 WeakPolarHBondContact CA-O 3.5Å; L138-I190 HydrophobicContact CD1-CB 4.06Å; L138-I190 HydrophobicContact CD1-CG2 3.83Å; L138-I190 WeakPolarHBondContact CD1-O 3.49Å; I139-I190 PolarHBondContact N-O 3.42Å; I190-R228 HydrophobicContact CG2-CG 3.93Å; I190-I274 HydrophobicContact CD1-CD1 3.56Å; I190-I274 HydrophobicContact CD1-CG1 3.87Å; I190-I274 HydrophobicContact CG1-CD1 4.3Å; I190-I274 HydrophobicContact CG1-CG1 4.06Å
191	C	98.9	Very high	98.5	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	112.5	-179.4	-173.2	0	0	0	0	108.9	I139 A179 I225 V226 F227 R228	I139-C191 HydrophobicContact CG2-CB 4.37Å; I139-C191 WeakPolarHBondContact O-CA 3.31Å; A179-C191 HydrophobicContact CB-CB 4.04Å; C191-I225 HydrophobicContact CB-CD1 4.28Å; C191-V226 PolarHBondContact N-O 3.02Å; C191-F227 HydrophobicContact CB-CD1 3.8Å; C191-F227 HydrophobicContact CB-CE1 4.2Å; C191-F227 CarbonylContact O-C 3.58Å; C191-F227 WeakPolarHBondContact O-CA 3.35Å; C191-R228 PolarHBondContact O-N 3.17Å
192	E	98.9	Very high	98.5	Very high	6 Å²	6	29.6 Å²	29.6	3%	0.028	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	129.6	-179.3	-177	169.2	150.5	0	0	111	L138 I139 V143 R228	L138-E192 HydrophobicContact CD1-CB 4.2Å; I139-E192 PolarHBondContact O-N 3Å; V143-E192 HydrophobicContact CG1-CB 3.96Å; V143-E192 HydrophobicContact CG1-CG 4.17Å; E192-R228 WeakPolarHBondContact CA-O 3.4Å; E192-R228 HydrophobicContact CB-CG 4.33Å; E192-R228 IonicContact OE1-NH1 2.71Å; E192-R228 IonicContact OE2-CZ 3.3Å; E192-R228 IonicContact OE2-NH1 3.41Å; E192-R228 PolarHBondContact OE2-NH1 2.9Å
193	F	98.8	Very high	98.5	Very high	1 Å²	1	30.6 Å²	30.6	0%	0.004	17%	0.173	C	C	.	.			trans	-101.6	132	162.9	-63.4	-78.8	0	0	0	108.3	E172 F175 C176 T195 I196 A199 A202 I206 F227 R228 G229	E172-F193 HydrophobicContact CB-CD1 4.33Å; E172-F193 HydrophobicContact CB-CE1 4.02Å; E172-F193 HydrophobicContact CG-CD1 4.17Å; E172-F193 HydrophobicContact CG-CE1 4.36Å; F175-F193 HydrophobicContact CE2-CD1 4.17Å; F175-F193 AromaticContact CE2-CE1 3.94Å; F175-F193 HydrophobicContact CE2-CE1 3.94Å; F175-F193 AromaticContact CZ-CD1 3.93Å; F175-F193 HydrophobicContact CZ-CD1 3.93Å; F175-F193 AromaticContact CZ-CE1 3.98Å; F175-F193 HydrophobicContact CZ-CE1 3.98Å; C176-F193 HydrophobicContact CB-CE1 4.38Å; C176-F193 HydrophobicContact CB-CZ 3.98Å; F193-T195 WeakPolarHBondContact CB-O 3.19Å; F193-T195 PolarHBondContact O-N 3.49Å; F193-I196 HydrophobicContact CB-CD1 4.49Å; F193-I196 HydrophobicContact CD2-CD1 4.46Å; F193-A199 HydrophobicContact CB-CB 4.34Å; F193-A199 HydrophobicContact CD1-CB 3.9Å; F193-A199 HydrophobicContact CD2-CB 3.63Å; F193-A199 HydrophobicContact CE1-CB 4.06Å; F193-A199 HydrophobicContact CE2-CB 3.78Å; F193-A199 HydrophobicContact CG-CB 3.68Å; F193-A199 HydrophobicContact CZ-CB 4Å; F193-A202 HydrophobicContact CE1-CB 3.64Å; F193-A202 HydrophobicContact CZ-CB 3.69Å; F193-I206 HydrophobicContact CE2-CD1 3.78Å; F193-I206 HydrophobicContact CZ-CD1 3.96Å; F193-F227 HydrophobicContact CE2-CB 4.29Å; F193-F227 HydrophobicContact CE2-CD1 4.01Å; F193-R228 PolarHBondContact N-O 3.47Å; F193-G229 WeakPolarHBondContact O-CA 3.28Å
194	M	98	Very high	98.5	Very high	49 Å²	49	34.1 Å²	34.1	24%	0.241	19%	0.191	C	C	.	.	S	Bend	trans	-53.8	-40.8	-179.9	-174.8	180	-62.6	0	0	111.3	E141 E142 A149 Y150 F198 P230	E141-M194 HydrophobicContact CB-CE 4.01Å; E142-M194 HydrophobicContact CG-CE 4.13Å; A149-M194 HydrophobicContact CB-CE 4.17Å; A149-M194 HydrophobicContact CB-CG 3.84Å; A149-M194 HydrophobicContact CB-SD 4.29Å; Y150-M194 HydrophobicContact CE2-CG 4.37Å; Y150-M194 WeakPolarHBondContact CE2-O 3.22Å; M194-F198 HydrophobicContact CB-CD2 3.96Å; M194-F198 HydrophobicContact CB-CE2 3.98Å; M194-F198 HydrophobicContact CG-CE2 4.26Å; M194-F198 HydrophobicContact SD-CE2 4.33Å; M194-P230 WeakPolarHBondContact O-CD 3.35Å; M194-P230 WeakPolarHBondContact O-CG 3.44Å
195	T	98.3	Very high	98.6	Very high	9 Å²	9	32.9 Å²	32.9	6%	0.055	19%	0.185	C	C	.	.	S	Bend	trans	-139.1	155.2	158.6	76	0	0	0	0	109.7	F193 N197 F198 P230	F193-T195 WeakPolarHBondContact CB-O 3.19Å; F193-T195 PolarHBondContact O-N 3.49Å; T195-N197 WeakPolarHBondContact CB-ND2 3.36Å; T195-N197 PolarHBondContact O-N 3.23Å; T195-N197 VanDerWaalsContact O-N 3.16Å; T195-N197 WeakPolarHBondContact OG1-CB 3.5Å; T195-N197 PolarHBondContact OG1-N 3.27Å; T195-N197 PolarHBondContact OG1-ND2 3.45Å; T195-F198 HydrophobicContact CG2-CE2 4.07Å; T195-F198 HydrophobicContact CG2-CZ 4.34Å; T195-F198 WeakPolarHBondContact O-CB 3.45Å; T195-F198 PolarHBondContact O-N 2.8Å; T195-P230 HydrophobicContact CG2-CG 4.23Å
196	I	98.5	Very high	98.6	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-17.6	178	-59.7	-60.1	0	0	0	112.4	F193 F198 A199 P230 N231 F245 Y249 L283	F193-I196 HydrophobicContact CB-CD1 4.49Å; F193-I196 HydrophobicContact CD2-CD1 4.46Å; I196-F198 PolarHBondContact O-N 3.14Å; I196-A199 HydrophobicContact CG2-CB 4.3Å; I196-A199 VanDerWaalsContact O-CB 3.27Å; I196-A199 WeakPolarHBondContact O-CB 3.36Å; I196-A199 PolarHBondContact O-N 2.95Å; I196-A199 VanDerWaalsContact O-N 3.11Å; I196-P230 WeakPolarHBondContact CG1-O 3.43Å; I196-P230 PolarHBondContact N-O 2.83Å; I196-N231 HydrophobicContact CB-CB 4.22Å; I196-N231 HydrophobicContact CG1-CB 3.91Å; I196-F245 HydrophobicContact CB-CD2 4.14Å; I196-F245 HydrophobicContact CG2-CB 3.74Å; I196-F245 HydrophobicContact CG2-CD2 3.53Å; I196-F245 HydrophobicContact CG2-CE2 4.31Å; I196-F245 HydrophobicContact CG2-CG 3.72Å; I196-Y249 HydrophobicContact CG2-CE2 3.61Å; I196-L283 HydrophobicContact CD1-CD2 4.25Å; I196-L283 HydrophobicContact CG1-CD2 3.9Å; I196-L283 HydrophobicContact CG2-CD2 4Å
197	N	98.6	Very high	98.7	Very high	6 Å²	6	28.5 Å²	28.5	3%	0.032	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-41	169.3	-52.6	-84.4	0	0	0	111.5	T195 A199 M200 Q240 H241 S242 Q243 F245	T195-N197 WeakPolarHBondContact CB-ND2 3.36Å; T195-N197 PolarHBondContact O-N 3.23Å; T195-N197 VanDerWaalsContact O-N 3.16Å; T195-N197 WeakPolarHBondContact OG1-CB 3.5Å; T195-N197 PolarHBondContact OG1-N 3.27Å; T195-N197 PolarHBondContact OG1-ND2 3.45Å; N197-A199 VanDerWaalsContact C-N 3.32Å; N197-M200 WeakPolarHBondContact O-CB 3.35Å; N197-M200 WeakPolarHBondContact O-CE 3Å; N197-M200 WeakPolarHBondContact O-CG 3.25Å; N197-M200 PolarHBondContact O-N 3.09Å; N197-Q240 WeakPolarHBondContact CB-O 3.42Å; N197-H241 WeakPolarHBondContact ND2-CA 3.43Å; N197-H241 PolarHBondContact ND2-O 2.81Å; N197-S242 PolarHBondContact OD1-N 3.13Å; N197-Q243 WeakPolarHBondContact OD1-CB 3.2Å; N197-Q243 PolarHBondContact OD1-N 2.94Å; N197-F245 VanDerWaalsContact CA-CE2 3.5Å; N197-F245 HydrophobicContact CB-CE2 4.34Å
198	F	98.6	Very high	98.7	Very high	46 Å²	46	28 Å²	28	20%	0.202	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-76.1	-24.2	-177.2	-51.6	-25.5	0	0	0	112.3	E172 M194 T195 I196 M200 Q201 H241	E172-F198 HydrophobicContact CG-CB 4.16Å; E172-F198 WeakPolarHBondContact OE1-CB 3.48Å; M194-F198 HydrophobicContact CB-CD2 3.96Å; M194-F198 HydrophobicContact CB-CE2 3.98Å; M194-F198 HydrophobicContact CG-CE2 4.26Å; M194-F198 HydrophobicContact SD-CE2 4.33Å; T195-F198 HydrophobicContact CG2-CE2 4.07Å; T195-F198 HydrophobicContact CG2-CZ 4.34Å; T195-F198 WeakPolarHBondContact O-CB 3.45Å; T195-F198 PolarHBondContact O-N 2.8Å; I196-F198 PolarHBondContact O-N 3.14Å; F198-M200 PolarHBondContact O-N 3.22Å; F198-M200 VanDerWaalsContact O-N 3.07Å; F198-Q201 WeakPolarHBondContact O-CB 3.42Å; F198-Q201 PolarHBondContact O-N 3.19Å; F198-H241 AromaticContact CE1-CD2 3.74Å; F198-H241 AromaticContact CE1-NE2 3.81Å; F198-H241 AromaticContact CZ-CD2 3.6Å; F198-H241 AromaticContact CZ-NE2 3.73Å
199	A	98.5	Very high	98.7	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-61.2	-17.2	172.8	0	0	0	0	0	113	F193 I196 N197 Q201 A202 I203 I206 Y249	F193-A199 HydrophobicContact CB-CB 4.34Å; F193-A199 HydrophobicContact CD1-CB 3.9Å; F193-A199 HydrophobicContact CD2-CB 3.63Å; F193-A199 HydrophobicContact CE1-CB 4.06Å; F193-A199 HydrophobicContact CE2-CB 3.78Å; F193-A199 HydrophobicContact CG-CB 3.68Å; F193-A199 HydrophobicContact CZ-CB 4Å; I196-A199 HydrophobicContact CG2-CB 4.3Å; I196-A199 VanDerWaalsContact O-CB 3.27Å; I196-A199 WeakPolarHBondContact O-CB 3.36Å; I196-A199 PolarHBondContact O-N 2.95Å; I196-A199 VanDerWaalsContact O-N 3.11Å; N197-A199 VanDerWaalsContact C-N 3.32Å; A199-Q201 PolarHBondContact O-N 3.1Å; A199-A202 CarbonylContact O-C 3.55Å; A199-A202 WeakPolarHBondContact O-CA 3.27Å; A199-A202 PolarHBondContact O-N 3.06Å; A199-I203 PolarHBondContact O-N 3.37Å; A199-I206 HydrophobicContact CB-CD1 4.17Å; A199-Y249 VanDerWaalsContact CB-OH 3.31Å; A199-Y249 WeakPolarHBondContact CB-OH 3.47Å
200	M	98.6	Very high	98.7	Very high	78 Å²	78	28.2 Å²	28.2	38%	0.384	14%	0.143	S	C	.	.	G	3₁₀ helix	trans	-55.8	-35.9	168.8	-74.5	-164.7	-69.6	0	0	112.6	N197 F198 A202 I203 F245 W248	N197-M200 WeakPolarHBondContact O-CB 3.35Å; N197-M200 WeakPolarHBondContact O-CE 3Å; N197-M200 WeakPolarHBondContact O-CG 3.25Å; N197-M200 PolarHBondContact O-N 3.09Å; F198-M200 PolarHBondContact O-N 3.22Å; F198-M200 VanDerWaalsContact O-N 3.07Å; M200-A202 PolarHBondContact O-N 2.81Å; M200-I203 WeakPolarHBondContact O-CG2 3.38Å; M200-F245 HydrophobicContact CE-CZ 3.97Å; M200-F245 HydrophobicContact CG-CD1 4.41Å; M200-F245 HydrophobicContact CG-CE1 3.29Å; M200-F245 HydrophobicContact CG-CZ 3.52Å; M200-F245 HydrophobicContact SD-CE1 3.63Å; M200-F245 HydrophobicContact SD-CZ 3.69Å; M200-W248 HydrophobicContact CG-CZ3 4.32Å; M200-W248 HydrophobicContact SD-CH2 4.19Å; M200-W248 HydrophobicContact SD-CZ3 4.19Å
201	Q	98.8	Very high	98.6	Very high	111 Å²	111	28.4 Å²	28.4	52%	0.519	15%	0.145	S	C	.	.	G	3₁₀ helix	trans	-64	-27.3	175.6	-63.6	-164.2	48.5	0	0	112.2	E172 M173 F198 A199	E172-Q201 HydrophobicContact CB-CB 3.95Å; E172-Q201 PolarHBondContact OE1-NE2 3.07Å; E172-Q201 PolarHBondContact OE2-NE2 3.39Å; E172-Q201 PolarHBondContact OE2-OE1 3.19Å; M173-Q201 WeakPolarHBondContact CE-O 3.26Å; F198-Q201 WeakPolarHBondContact O-CB 3.42Å; F198-Q201 PolarHBondContact O-N 3.19Å; A199-Q201 PolarHBondContact O-N 3.1Å
202	A	98.8	Very high	98.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-109.6	5.1	-175.1	0	0	0	0	0	114.2	E172 C176 F193 A199 M200 D204 Q205 I206	E172-A202 HydrophobicContact CB-CB 4.17Å; E172-A202 WeakPolarHBondContact O-CB 3.44Å; C176-A202 HydrophobicContact CB-CB 3.69Å; F193-A202 HydrophobicContact CE1-CB 3.64Å; F193-A202 HydrophobicContact CZ-CB 3.69Å; A199-A202 CarbonylContact O-C 3.55Å; A199-A202 WeakPolarHBondContact O-CA 3.27Å; A199-A202 PolarHBondContact O-N 3.06Å; M200-A202 PolarHBondContact O-N 2.81Å; A202-D204 PolarHBondContact O-N 3.11Å; A202-D204 VanDerWaalsContact O-N 3.09Å; A202-Q205 WeakPolarHBondContact O-CB 3.3Å; A202-Q205 PolarHBondContact O-N 2.93Å; A202-I206 PolarHBondContact O-N 3.23Å
203	I	98.7	Very high	98.6	Very high	39 Å²	39	33.1 Å²	33.1	20%	0.2	17%	0.167	C	C	.	.	H	α-helix	trans	-62	-26.9	-169	-159.5	173.4	0	0	0	113	A199 M200 I206 I207 W248 Y249	A199-I203 PolarHBondContact O-N 3.37Å; M200-I203 WeakPolarHBondContact O-CG2 3.38Å; I203-I206 PolarHBondContact O-N 3.47Å; I203-I207 HydrophobicContact CD1-CD1 3.96Å; I203-I207 HydrophobicContact CG1-CD1 3.65Å; I203-I207 HydrophobicContact CG1-CG1 4.11Å; I203-I207 WeakPolarHBondContact O-CB 3.48Å; I203-I207 WeakPolarHBondContact O-CG1 3.23Å; I203-I207 PolarHBondContact O-N 3.4Å; I203-W248 HydrophobicContact CD1-CE3 3.8Å; I203-W248 HydrophobicContact CD1-CZ3 4.25Å; I203-Y249 HydrophobicContact CD1-CE1 4.26Å; I203-Y249 HydrophobicContact CG1-CE1 4.02Å
204	D	98.8	Very high	98.5	Very high	75 Å²	75	35.7 Å²	35.7	40%	0.401	18%	0.181	S	C	.	.	H	α-helix	trans	-61.3	-43.2	172.8	-175	69.6	0	0	0	112	M173 A202 I207 N208 S209	M173-D204 HydrophobicContact CE-CB 3.97Å; A202-D204 PolarHBondContact O-N 3.11Å; A202-D204 VanDerWaalsContact O-N 3.09Å; D204-I207 PolarHBondContact O-N 2.83Å; D204-N208 WeakPolarHBondContact O-CA 3.16Å; D204-N208 WeakPolarHBondContact O-CB 3.37Å; D204-N208 PolarHBondContact O-N 3.38Å; D204-N208 PolarHBondContact OD1-ND2 3.21Å; D204-S209 PolarHBondContact O-N 3.21Å
205	Q	98.8	Very high	98.6	Very high	41 Å²	41	43.3 Å²	43.3	19%	0.192	21%	0.208	C	C	.	.	I	π-helix	trans	-66.1	-42.6	175.6	-66.7	-73.2	4.3	0	0	111.3	M173 C176 A202 I207 S209 A210	M173-Q205 HydrophobicContact SD-CG 3.48Å; M173-Q205 WeakPolarHBondContact SD-CG 3.31Å; C176-Q205 HydrophobicContact CB-CB 4.3Å; C176-Q205 VanDerWaalsContact SG-CB 3.59Å; A202-Q205 WeakPolarHBondContact O-CB 3.3Å; A202-Q205 PolarHBondContact O-N 2.93Å; Q205-I207 PolarHBondContact O-N 2.75Å; Q205-S209 VanDerWaalsContact O-CB 3.31Å; Q205-S209 WeakPolarHBondContact O-CB 3.45Å; Q205-S209 PolarHBondContact O-N 3.02Å; Q205-S209 PolarHBondContact OE1-OG 2.95Å; Q205-A210 PolarHBondContact O-N 3.41Å
206	I	98.8	Very high	98.6	Very high	1 Å²	1	49 Å²	49	1%	0.005	24%	0.236	C	C	.	.	I	π-helix	trans	-61.7	-46.6	179.1	-59.7	172.1	0	0	0	110.5	F193 A199 A202 I203 A210 G211 F227 Y249 L255 V281	F193-I206 HydrophobicContact CE2-CD1 3.78Å; F193-I206 HydrophobicContact CZ-CD1 3.96Å; A199-I206 HydrophobicContact CB-CD1 4.17Å; A202-I206 PolarHBondContact O-N 3.23Å; I203-I206 PolarHBondContact O-N 3.47Å; I206-A210 WeakPolarHBondContact O-CB 3.19Å; I206-G211 PolarHBondContact O-N 3.47Å; I206-F227 HydrophobicContact CB-CE2 4.25Å; I206-F227 HydrophobicContact CB-CZ 4.39Å; I206-F227 HydrophobicContact CD1-CD1 4.49Å; I206-F227 HydrophobicContact CD1-CG 4.47Å; I206-F227 HydrophobicContact CG1-CD1 4.04Å; I206-F227 HydrophobicContact CG1-CD2 4.27Å; I206-F227 HydrophobicContact CG1-CE1 3.98Å; I206-F227 HydrophobicContact CG1-CE2 4.17Å; I206-F227 HydrophobicContact CG1-CG 4.19Å; I206-F227 HydrophobicContact CG1-CZ 4.02Å; I206-F227 HydrophobicContact CG2-CD2 3.88Å; I206-F227 HydrophobicContact CG2-CE2 3.84Å; I206-F227 HydrophobicContact CG2-CG 4.5Å; I206-F227 HydrophobicContact CG2-CZ 4.46Å; I206-Y249 HydrophobicContact CB-CE1 4.41Å; I206-Y249 HydrophobicContact CD1-CE1 3.93Å; I206-Y249 HydrophobicContact CG2-CD1 4.16Å; I206-Y249 HydrophobicContact CG2-CE1 3.8Å; I206-L255 HydrophobicContact CG2-CD1 4.05Å; I206-L255 HydrophobicContact CG2-CD2 4.35Å; I206-V281 HydrophobicContact CG2-CG2 4.23Å
207	I	98.7	Very high	98.5	Very high	32 Å²	32	50 Å²	50	16%	0.164	24%	0.243	C	C	.	.	I	π-helix	trans	-85.8	-58.8	-173.8	-63.5	175.8	0	0	0	111.9	I203 D204 Q205 G211 K212 C252	I203-I207 HydrophobicContact CD1-CD1 3.96Å; I203-I207 HydrophobicContact CG1-CD1 3.65Å; I203-I207 HydrophobicContact CG1-CG1 4.11Å; I203-I207 WeakPolarHBondContact O-CB 3.48Å; I203-I207 WeakPolarHBondContact O-CG1 3.23Å; I203-I207 PolarHBondContact O-N 3.4Å; D204-I207 PolarHBondContact O-N 2.83Å; Q205-I207 PolarHBondContact O-N 2.75Å; I207-G211 WeakPolarHBondContact O-CA 3.41Å; I207-G211 PolarHBondContact O-N 3.13Å; I207-K212 WeakPolarHBondContact O-CG 3.47Å; I207-K212 PolarHBondContact O-N 3.12Å; I207-K212 VanDerWaalsContact O-N 3.08Å; I207-C252 VanDerWaalsContact CD1-SG 3.59Å
208	N	98.7	Very high	98.5	Very high	64 Å²	64	54.1 Å²	54.1	34%	0.342	28%	0.278	S	S	.	.	I	π-helix	trans	-80.5	-41.5	-169.5	-71.1	-33.7	0	0	0	112.2	D204 K212	D204-N208 WeakPolarHBondContact O-CA 3.16Å; D204-N208 WeakPolarHBondContact O-CB 3.37Å; D204-N208 PolarHBondContact O-N 3.38Å; D204-N208 PolarHBondContact OD1-ND2 3.21Å; N208-K212 WeakPolarHBondContact OD1-CE 3.32Å; N208-K212 PolarHBondContact OD1-NZ 2.89Å
209	S	98.5	Very high	98.3	Very high	32 Å²	32	54.5 Å²	54.5	22%	0.224	29%	0.294	C	S	.	.	I	π-helix	trans	-80.8	-48.4	179.3	-54.8	0	0	0	0	112.4	M184 D204 Q205 T213	M184-S209 WeakPolarHBondContact CE-O 3.13Å; D204-S209 PolarHBondContact O-N 3.21Å; Q205-S209 VanDerWaalsContact O-CB 3.31Å; Q205-S209 WeakPolarHBondContact O-CB 3.45Å; Q205-S209 PolarHBondContact O-N 3.02Å; Q205-S209 PolarHBondContact OE1-OG 2.95Å; S209-T213 WeakPolarHBondContact O-CB 3.46Å; S209-T213 PolarHBondContact O-OG1 2.88Å
210	A	98.6	Very high	98.3	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.008	33%	0.326	C	S	.	.	I	π-helix	trans	-86	-62.9	-178.2	0	0	0	0	0	111.6	Q205 I206 K212 T213 I225 F227 P279	Q205-A210 PolarHBondContact O-N 3.41Å; I206-A210 WeakPolarHBondContact O-CB 3.19Å; A210-K212 PolarHBondContact O-N 3.26Å; A210-T213 PolarHBondContact O-N 3.47Å; A210-I225 HydrophobicContact CB-CG2 4.09Å; A210-F227 HydrophobicContact CB-CE2 4Å; A210-F227 HydrophobicContact CB-CZ 3.92Å; A210-P279 VanDerWaalsContact C-CG 3.47Å; A210-P279 HydrophobicContact CB-CB 4.02Å; A210-P279 HydrophobicContact CB-CG 3.69Å; A210-P279 WeakPolarHBondContact O-CG 3.41Å
211	G	98.2	Very high	98.2	Very high	4 Å²	4	59.2 Å²	59.2	4%	0.041	33%	0.325	C	S	.	.	I	π-helix	trans	-58.4	-42.7	-169.6	0	0	0	0	0	115	I206 I207 G254	I206-G211 PolarHBondContact O-N 3.47Å; I207-G211 WeakPolarHBondContact O-CA 3.41Å; I207-G211 PolarHBondContact O-N 3.13Å; G211-G254 VanDerWaalsContact O-CA 3.3Å; G211-G254 WeakPolarHBondContact O-CA 3.18Å
212	K	98.6	Very high	98	Very high	87 Å²	87	56.8 Å²	56.8	38%	0.378	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-16.5	-173.6	-66.9	175.7	-173.3	168.7	0	114.6	I207 N208 A210 L214 Y215 M216	I207-K212 WeakPolarHBondContact O-CG 3.47Å; I207-K212 PolarHBondContact O-N 3.12Å; I207-K212 VanDerWaalsContact O-N 3.08Å; N208-K212 WeakPolarHBondContact OD1-CE 3.32Å; N208-K212 PolarHBondContact OD1-NZ 2.89Å; A210-K212 PolarHBondContact O-N 3.26Å; K212-L214 PolarHBondContact O-N 3.14Å; K212-Y215 PolarHBondContact O-N 3.11Å; K212-M216 HydrophobicContact CB-CE 3.83Å; K212-M216 HydrophobicContact CB-CG 4.44Å; K212-M216 HydrophobicContact CB-SD 4.29Å; K212-M216 WeakPolarHBondContact O-CG 3.44Å; K212-M216 PolarHBondContact O-N 3.21Å
213	T	98.2	Very high	97.8	Very high	19 Å²	19	56.9 Å²	56.9	12%	0.117	32%	0.319	C	S	.	.	H	α-helix	trans	-67	-38.2	-166.8	-74.2	0	0	0	0	113.9	M184 S209 A210 Y215 M216 S217 I221	M184-T213 HydrophobicContact CE-CG2 4.07Å; S209-T213 WeakPolarHBondContact O-CB 3.46Å; S209-T213 PolarHBondContact O-OG1 2.88Å; A210-T213 PolarHBondContact O-N 3.47Å; T213-Y215 VanDerWaalsContact C-N 3.27Å; T213-Y215 PolarHBondContact O-N 3.06Å; T213-M216 PolarHBondContact O-N 3.23Å; T213-S217 WeakPolarHBondContact O-CB 3.49Å; T213-S217 PolarHBondContact O-N 3.12Å; T213-S217 PolarHBondContact O-OG 2.85Å; T213-I221 HydrophobicContact CG2-CB 3.82Å; T213-I221 HydrophobicContact CG2-CG2 3.65Å
214	L	97.9	Very high	97.8	Very high	54 Å²	54	55.6 Å²	55.6	28%	0.283	31%	0.313	S	S	.	.	H	α-helix	trans	-61.2	-39.8	178.2	-174.9	69.9	0	0	0	111.4	K212 S217 A218 G219 I221 P222 N278	K212-L214 PolarHBondContact O-N 3.14Å; L214-S217 PolarHBondContact O-OG 3.04Å; L214-A218 PolarHBondContact O-N 3.29Å; L214-G219 PolarHBondContact O-N 3.33Å; L214-I221 WeakPolarHBondContact CA-O 3.34Å; L214-P222 HydrophobicContact CD1-CB 4.47Å; L214-N278 WeakPolarHBondContact CD2-OD1 3.43Å
215	Y	98.4	Very high	97.8	Very high	209 Å²	209	52 Å²	52	82%	0.82	29%	0.294	S	S	*	.	H	α-helix	trans	-69.1	-50.1	176.3	-175.9	-90.8	0	0	0	111.6	K212 T213 S217 A218	K212-Y215 PolarHBondContact O-N 3.11Å; T213-Y215 VanDerWaalsContact C-N 3.27Å; T213-Y215 PolarHBondContact O-N 3.06Å; Y215-S217 VanDerWaalsContact C-N 3.27Å; Y215-S217 PolarHBondContact O-N 3.07Å; Y215-A218 PolarHBondContact O-N 3.37Å
216	M	98.4	Very high	97.8	Very high	130 Å²	130	50.3 Å²	50.3	64%	0.64	29%	0.286	S	S	*	.	H	α-helix	trans	-64	-31.9	-178.1	-68	-170.8	-59.1	0	0	113.1	K212 T213 A218	K212-M216 HydrophobicContact CB-CE 3.83Å; K212-M216 HydrophobicContact CB-CG 4.44Å; K212-M216 HydrophobicContact CB-SD 4.29Å; K212-M216 WeakPolarHBondContact O-CG 3.44Å; K212-M216 PolarHBondContact O-N 3.21Å; T213-M216 PolarHBondContact O-N 3.23Å; M216-A218 PolarHBondContact O-N 3.01Å
217	S	97.7	Very high	97.8	Very high	22 Å²	22	50.3 Å²	50.3	15%	0.154	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	7.9	176.6	69.7	0	0	0	0	113.4	T213 L214 Y215 G219 T220 I221	T213-S217 WeakPolarHBondContact O-CB 3.49Å; T213-S217 PolarHBondContact O-N 3.12Å; T213-S217 PolarHBondContact O-OG 2.85Å; L214-S217 PolarHBondContact O-OG 3.04Å; Y215-S217 VanDerWaalsContact C-N 3.27Å; Y215-S217 PolarHBondContact O-N 3.07Å; S217-G219 PolarHBondContact O-N 2.97Å; S217-T220 WeakPolarHBondContact CB-OG1 3.45Å; S217-T220 WeakPolarHBondContact O-CB 3.35Å; S217-T220 WeakPolarHBondContact O-CG2 3.48Å; S217-T220 PolarHBondContact O-N 2.76Å; S217-T220 VanDerWaalsContact O-N 3.17Å; S217-T220 PolarHBondContact O-OG1 2.83Å; S217-T220 PolarHBondContact OG-N 2.91Å; S217-I221 PolarHBondContact OG-N 2.89Å
218	A	97.5	Very high	97.8	Very high	92 Å²	92	48.8 Å²	48.8	76%	0.76	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	40.8	-176.8	0	0	0	0	0	113.3	L214 Y215 M216	L214-A218 PolarHBondContact O-N 3.29Å; Y215-A218 PolarHBondContact O-N 3.37Å; M216-A218 PolarHBondContact O-N 3.01Å
219	G	96.2	Very high	97.8	Very high	53 Å²	53	45.8 Å²	45.8	55%	0.546	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.4	6	176.9	0	0	0	0	0	115.4	L214 S217	L214-G219 PolarHBondContact O-N 3.33Å; S217-G219 PolarHBondContact O-N 2.97Å
220	T	96.7	Very high	97.8	Very high	109 Å²	109	44.6 Å²	44.6	67%	0.669	25%	0.254	S	S	*	.	S	Bend	trans	-89.5	-26.5	-174.5	59.8	0	0	0	0	114.3	S217	S217-T220 WeakPolarHBondContact CB-OG1 3.45Å; S217-T220 WeakPolarHBondContact O-CB 3.35Å; S217-T220 WeakPolarHBondContact O-CG2 3.48Å; S217-T220 PolarHBondContact O-N 2.76Å; S217-T220 VanDerWaalsContact O-N 3.17Å; S217-T220 PolarHBondContact O-OG1 2.83Å; S217-T220 PolarHBondContact OG-N 2.91Å
221	I	96.5	Very high	97.8	Very high	69 Å²	69	44.7 Å²	44.7	35%	0.354	25%	0.254	S	S	.	.	S	Bend	trans	-116.5	98.9	179.8	-55.4	174.9	0	0	0	109	M184 T213 L214 S217	M184-I221 HydrophobicContact CB-CG2 4.06Å; M184-I221 HydrophobicContact CG-CG2 3.82Å; M184-I221 HydrophobicContact SD-CG2 4.32Å; T213-I221 HydrophobicContact CG2-CB 3.82Å; T213-I221 HydrophobicContact CG2-CG2 3.65Å; L214-I221 WeakPolarHBondContact CA-O 3.34Å; S217-I221 PolarHBondContact OG-N 2.89Å
222	P	94.7	Very high	97.7	Very high	60 Å²	60	44.9 Å²	44.9	39%	0.39	26%	0.256	S	S	.	.			trans	-74.3	161.2	170.1	33.3	-34.8	0	0	0	111.1	L214	L214-P222 HydrophobicContact CD1-CB 4.47Å
223	S	95	Very high	97.5	Very high	1 Å²	1	41 Å²	41	1%	0.007	24%	0.24	C	C	.	.			trans	-135.1	74.2	176.5	-176.9	0	0	0	0	109.6	I225 P277 N278 P279	S223-I225 VanDerWaalsContact C-N 3.3Å; S223-I225 PolarHBondContact O-N 3.15Å; S223-P277 CarbonylContact C-O 3.54Å; S223-N278 CarbonylContact O-C 3.42Å; S223-P279 VanDerWaalsContact O-CD 3.28Å; S223-P279 WeakPolarHBondContact O-CD 3.33Å; S223-P279 VanDerWaalsContact O-N 3.09Å
224	P	98.3	Very high	97.2	Very high	12 Å²	12	40.2 Å²	40.2	8%	0.078	24%	0.235	C	C	.	.			trans	-73.8	79.6	178.4	31.8	-36.6	0	0	0	111.2	A183 L187 R188	A183-P224 HydrophobicContact CB-CG 4.42Å; L187-P224 WeakPolarHBondContact O-CG 3.4Å; R188-P224 WeakPolarHBondContact CA-O 3.45Å
225	I	98.9	Very high	96.8	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	24%	0.239	C	C	.	.			trans	-129.7	140.1	-178.1	-176.1	161.9	0	0	0	110.4	A179 A183 P189 C191 A210 S223 F227 P279 V280	A179-I225 HydrophobicContact CB-CD1 3.56Å; A183-I225 HydrophobicContact CB-CB 4Å; P189-I225 HydrophobicContact CB-CD1 4.43Å; P189-I225 HydrophobicContact CB-CG1 4.38Å; P189-I225 HydrophobicContact CG-CB 4.19Å; P189-I225 HydrophobicContact CG-CD1 3.9Å; P189-I225 HydrophobicContact CG-CG1 3.89Å; C191-I225 HydrophobicContact CB-CD1 4.28Å; A210-I225 HydrophobicContact CB-CG2 4.09Å; S223-I225 VanDerWaalsContact C-N 3.3Å; S223-I225 PolarHBondContact O-N 3.15Å; I225-F227 HydrophobicContact CB-CZ 4.47Å; I225-F227 HydrophobicContact CD1-CD1 4.25Å; I225-F227 HydrophobicContact CD1-CE1 3.4Å; I225-F227 VanDerWaalsContact CD1-CE1 3.4Å; I225-F227 HydrophobicContact CD1-CE2 4.43Å; I225-F227 HydrophobicContact CD1-CZ 3.54Å; I225-F227 HydrophobicContact CG1-CD1 4.37Å; I225-F227 HydrophobicContact CG1-CE1 3.89Å; I225-F227 HydrophobicContact CG1-CE2 4.31Å; I225-F227 HydrophobicContact CG1-CZ 3.88Å; I225-F227 HydrophobicContact CG2-CE2 3.7Å; I225-F227 HydrophobicContact CG2-CZ 3.73Å; I225-P279 HydrophobicContact CG2-CB 3.92Å; I225-P279 HydrophobicContact CG2-CG 4.18Å; I225-P279 WeakPolarHBondContact O-CA 3.4Å; I225-V280 PolarHBondContact O-N 3.17Å
226	V	98.9	Very high	96.5	Very high	4 Å²	4	31.9 Å²	31.9	2%	0.024	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	128.3	168.8	-179.3	0	0	0	0	108.6	P189 C191 R228 L270 A273 I274 V280 C282	P189-V226 PolarHBondContact O-N 2.8Å; C191-V226 PolarHBondContact N-O 3.02Å; V226-R228 HydrophobicContact CG1-CB 4.45Å; V226-L270 HydrophobicContact CG1-CD1 3.98Å; V226-A273 HydrophobicContact CG1-CB 4.28Å; V226-A273 VanDerWaalsContact CG2-C 3.46Å; V226-A273 HydrophobicContact CG2-CB 3.78Å; V226-A273 WeakPolarHBondContact CG2-O 3.46Å; V226-I274 HydrophobicContact CG2-CG1 4.05Å; V226-V280 CarbonylContact C-O 3.56Å; V226-V280 WeakPolarHBondContact CA-O 3.5Å; V226-C282 HydrophobicContact CG1-CB 4.37Å
227	F	98.9	Very high	96.3	Very high	1 Å²	1	28 Å²	28	0%	0.004	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	123.5	166.8	-55.4	-73.5	0	0	0	107.9	C176 C191 F193 I206 A210 I225 P279 V280 V281 C282	C176-F227 WeakPolarHBondContact SG-CE1 3.33Å; C191-F227 HydrophobicContact CB-CD1 3.8Å; C191-F227 HydrophobicContact CB-CE1 4.2Å; C191-F227 CarbonylContact O-C 3.58Å; C191-F227 WeakPolarHBondContact O-CA 3.35Å; F193-F227 HydrophobicContact CE2-CB 4.29Å; F193-F227 HydrophobicContact CE2-CD1 4.01Å; I206-F227 HydrophobicContact CB-CE2 4.25Å; I206-F227 HydrophobicContact CB-CZ 4.39Å; I206-F227 HydrophobicContact CD1-CD1 4.49Å; I206-F227 HydrophobicContact CD1-CG 4.47Å; I206-F227 HydrophobicContact CG1-CD1 4.04Å; I206-F227 HydrophobicContact CG1-CD2 4.27Å; I206-F227 HydrophobicContact CG1-CE1 3.98Å; I206-F227 HydrophobicContact CG1-CE2 4.17Å; I206-F227 HydrophobicContact CG1-CG 4.19Å; I206-F227 HydrophobicContact CG1-CZ 4.02Å; I206-F227 HydrophobicContact CG2-CD2 3.88Å; I206-F227 HydrophobicContact CG2-CE2 3.84Å; I206-F227 HydrophobicContact CG2-CG 4.5Å; I206-F227 HydrophobicContact CG2-CZ 4.46Å; A210-F227 HydrophobicContact CB-CE2 4Å; A210-F227 HydrophobicContact CB-CZ 3.92Å; I225-F227 HydrophobicContact CB-CZ 4.47Å; I225-F227 HydrophobicContact CD1-CD1 4.25Å; I225-F227 HydrophobicContact CD1-CE1 3.4Å; I225-F227 VanDerWaalsContact CD1-CE1 3.4Å; I225-F227 HydrophobicContact CD1-CE2 4.43Å; I225-F227 HydrophobicContact CD1-CZ 3.54Å; I225-F227 HydrophobicContact CG1-CD1 4.37Å; I225-F227 HydrophobicContact CG1-CE1 3.89Å; I225-F227 HydrophobicContact CG1-CE2 4.31Å; I225-F227 HydrophobicContact CG1-CZ 3.88Å; I225-F227 HydrophobicContact CG2-CE2 3.7Å; I225-F227 HydrophobicContact CG2-CZ 3.73Å; F227-P279 HydrophobicContact CE2-CB 4.24Å; F227-V280 PolarHBondContact N-O 3.44Å; F227-V281 HydrophobicContact CB-CG2 4.5Å; F227-V281 HydrophobicContact CD2-CG2 4.24Å; F227-V281 CarbonylContact O-C 3.4Å; F227-V281 WeakPolarHBondContact O-CA 3.49Å; F227-C282 PolarHBondContact O-N 3.01Å
228	R	98.9	Very high	96.3	Very high	1 Å²	1	27.5 Å²	27.5	0%	0.004	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	161.2	-177.7	67.3	170.5	-64.6	-78.2	-0.5	112.7	V152 I190 C191 E192 F193 V226 C282 E284	V152-R228 VanDerWaalsContact CG1-NH2 3.31Å; I190-R228 HydrophobicContact CG2-CG 3.93Å; C191-R228 PolarHBondContact O-N 3.17Å; E192-R228 WeakPolarHBondContact CA-O 3.4Å; E192-R228 HydrophobicContact CB-CG 4.33Å; E192-R228 IonicContact OE1-NH1 2.71Å; E192-R228 IonicContact OE2-CZ 3.3Å; E192-R228 IonicContact OE2-NH1 3.41Å; E192-R228 PolarHBondContact OE2-NH1 2.9Å; F193-R228 PolarHBondContact N-O 3.47Å; V226-R228 HydrophobicContact CG1-CB 4.45Å; R228-C282 WeakPolarHBondContact CA-O 3.46Å; R228-C282 HydrophobicContact CB-CB 3.97Å; R228-E284 IonicContact CZ-OE1 2.73Å; R228-E284 IonicContact CZ-OE2 2.6Å; R228-E284 IonicContact NE-OE1 2.94Å; R228-E284 PolarHBondContact NE-OE1 2.8Å; R228-E284 IonicContact NE-OE2 2.7Å; R228-E284 IonicContact NH2-OE1 2.85Å; R228-E284 PolarHBondContact NH2-OE1 2.93Å; R228-E284 IonicContact NH2-OE2 3.64Å; R228-E284 PolarHBondContact NH2-OE2 3.11Å
229	G	98.6	Very high	96.3	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	157.1	166.5	175.2	0	0	0	0	0	111.9	F193 C282 E284	F193-G229 WeakPolarHBondContact O-CA 3.28Å; G229-C282 PolarHBondContact N-O 2.84Å; G229-E284 WeakPolarHBondContact O-CB 3.46Å; G229-E284 PolarHBondContact O-N 3.38Å
230	P	98.5	Very high	96.3	Very high	7 Å²	7	30.7 Å²	30.7	5%	0.045	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	136.1	176.4	27.2	-30.3	0	0	0	111.2	Y150 M194 T195 I196 E286 Y289	Y150-P230 HydrophobicContact CD2-CG 4.17Å; Y150-P230 HydrophobicContact CE2-CG 3.79Å; M194-P230 WeakPolarHBondContact O-CD 3.35Å; M194-P230 WeakPolarHBondContact O-CG 3.44Å; T195-P230 HydrophobicContact CG2-CG 4.23Å; I196-P230 WeakPolarHBondContact CG1-O 3.43Å; I196-P230 PolarHBondContact N-O 2.83Å; P230-E286 HydrophobicContact CB-CB 3.99Å; P230-Y289 HydrophobicContact CB-CE2 4.15Å; P230-Y289 WeakPolarHBondContact CB-OH 3.31Å; P230-Y289 VanDerWaalsContact CD-OH 3.32Å; P230-Y289 WeakPolarHBondContact CD-OH 3.27Å; P230-Y289 HydrophobicContact CG-CE2 4.43Å
231	N	98.7	Very high	96.4	Very high	4 Å²	4	29.1 Å²	29.1	2%	0.021	17%	0.174	C	C	.	.			trans	-128.3	146	-175.9	173.4	76.2	0	0	0	111.5	I196 D244 F245 L283 E284 N285	I196-N231 HydrophobicContact CB-CB 4.22Å; I196-N231 HydrophobicContact CG1-CB 3.91Å; N231-D244 PolarHBondContact ND2-OD1 3.26Å; N231-F245 PolarHBondContact OD1-N 3.29Å; N231-L283 HydrophobicContact CB-CB 3.81Å; N231-L283 HydrophobicContact CB-CD2 4.06Å; N231-L283 HydrophobicContact CB-CG 4.45Å; N231-E284 WeakPolarHBondContact CA-O 3.4Å; N231-E284 WeakPolarHBondContact CB-O 3.49Å; N231-E284 PolarHBondContact N-O 3.42Å; N231-N285 PolarHBondContact O-ND2 2.86Å; N231-N285 VanDerWaalsContact O-ND2 3.15Å
232	G	97	Very high	96.5	Very high	8 Å²	8	26.3 Å²	26.3	8%	0.082	16%	0.161	C	C	.	.	S	Bend	trans	81.9	-169.5	179.5	0	0	0	0	0	113.2	S242 Q243	G232-S242 CarbonylContact C-O 3.52Å; G232-Q243 WeakPolarHBondContact CA-O 3.39Å; G232-Q243 PolarHBondContact N-O 3.42Å; G232-Q243 VanDerWaalsContact N-O 3.11Å
233	P	93.8	Very high	96.7	Very high	4 Å²	4	24.6 Å²	24.6	3%	0.026	15%	0.147	C	C	.	.			trans	-69.1	137.6	-174.5	27.1	-34.2	0	0	0	112.7	N377 M415 Q426	P233-N377 HydrophobicContact CG-CB 3.95Å; P233-M415 HydrophobicContact CB-CE 3.96Å; P233-Q426 HydrophobicContact CG-CG 4.45Å
234	A	91.4	Very high	96.8	Very high	3 Å²	3	25.2 Å²	25.2	3%	0.025	15%	0.151	C	C	.	.			trans	-101.4	-149.5	163.9	0	0	0	0	0	109.6	V237 E286	A234-V237 HydrophobicContact CB-CG1 3.99Å; A234-V237 HydrophobicContact CB-CG2 3.93Å; A234-E286 HydrophobicContact CB-CB 4.44Å; A234-E286 VanDerWaalsContact CB-OE2 3.29Å; A234-E286 WeakPolarHBondContact CB-OE2 3.45Å
235	V	90.6	Very high	96.8	Very high	59 Å²	59	24.7 Å²	24.7	36%	0.358	15%	0.147	S	C	.	.	S	Bend	trans	-116.7	121.6	177	-176.8	0	0	0	0	110.5	I17 V237	I17-V235 HydrophobicContact CD1-CG1 3.69Å; I17-V235 HydrophobicContact CG2-CB 4.37Å; I17-V235 HydrophobicContact CG2-CG1 4.09Å; I17-V235 HydrophobicContact CG2-CG2 4.23Å; V235-V237 VanDerWaalsContact C-N 3.27Å; V235-V237 PolarHBondContact O-N 2.76Å
236	G	91.8	Very high	96.8	Very high	29 Å²	29	24.6 Å²	24.6	30%	0.299	15%	0.147	S	C	.	.	S	Bend	trans	70.8	15.5	169.9	0	0	0	0	0	115.2	Y417 E422	G236-Y417 VanDerWaalsContact O-CD2 3.29Å; G236-Y417 WeakPolarHBondContact O-CD2 3.38Å; G236-Y417 WeakPolarHBondContact O-CE2 3.4Å; G236-E422 PolarHBondContact N-OE1 3.46Å; G236-E422 PolarHBondContact N-OE2 3.41Å
237	V	94.6	Very high	96.8	Very high	48 Å²	48	25.6 Å²	25.6	29%	0.291	15%	0.153	S	C	.	.			trans	-91.2	-2.7	-173.9	-58.9	0	0	0	0	114.1	A234 V235 H241 S242	A234-V237 HydrophobicContact CB-CG1 3.99Å; A234-V237 HydrophobicContact CB-CG2 3.93Å; V235-V237 VanDerWaalsContact C-N 3.27Å; V235-V237 PolarHBondContact O-N 2.76Å; V237-H241 HydrophobicContact CB-CB 3.62Å; V237-H241 HydrophobicContact CG2-CB 3.51Å; V237-H241 PolarHBondContact O-ND1 2.87Å; V237-S242 VanDerWaalsContact CG2-OG 3.29Å; V237-S242 WeakPolarHBondContact CG2-OG 3.45Å
238	G	95.9	Very high	96.8	Very high	13 Å²	13	31.3 Å²	31.3	13%	0.134	18%	0.175	C	C	.	.			trans	67.1	-166.7	178.5	0	0	0	0	0	114.1	S242 M415	G238-S242 WeakPolarHBondContact O-CB 3.46Å; G238-S242 PolarHBondContact O-OG 2.93Å; G238-M415 CarbonylContact C-O 3.59Å
239	A	97.6	Very high	96.7	Very high	47 Å²	47	31.3 Å²	31.3	39%	0.388	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-69.2	-39.9	-163.8	0	0	0	0	0	115	H241 P414 M415	A239-H241 VanDerWaalsContact C-N 3.27Å; A239-H241 PolarHBondContact O-N 3.41Å; A239-P414 HydrophobicContact CB-CB 3.77Å; A239-M415 WeakPolarHBondContact CA-O 3.48Å; A239-M415 PolarHBondContact N-O 3.23Å; A239-M415 VanDerWaalsContact N-O 3.11Å
240	Q	97.9	Very high	96.7	Very high	164 Å²	164	32.4 Å²	32.4	77%	0.766	18%	0.182	S	C	*	.	G	3₁₀ helix	trans	-82.4	-0.6	-172.2	-68.3	178.8	-30.7	0	0	114.2	N197	N197-Q240 WeakPolarHBondContact CB-O 3.42Å
241	H	98	Very high	96.7	Very high	77 Å²	77	38.1 Å²	38.1	36%	0.356	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-123.1	5.6	-177	-61.7	94.1	0	0	0	113.2	N197 F198 V237 A239	N197-H241 WeakPolarHBondContact ND2-CA 3.43Å; N197-H241 PolarHBondContact ND2-O 2.81Å; F198-H241 AromaticContact CE1-CD2 3.74Å; F198-H241 AromaticContact CE1-NE2 3.81Å; F198-H241 AromaticContact CZ-CD2 3.6Å; F198-H241 AromaticContact CZ-NE2 3.73Å; V237-H241 HydrophobicContact CB-CB 3.62Å; V237-H241 HydrophobicContact CG2-CB 3.51Å; V237-H241 PolarHBondContact O-ND1 2.87Å; A239-H241 VanDerWaalsContact C-N 3.27Å; A239-H241 PolarHBondContact O-N 3.41Å
242	S	97.9	Very high	96.7	Very high	10 Å²	10	38.8 Å²	38.8	7%	0.07	22%	0.218	C	C	.	.			trans	-118.5	7.4	-169.4	-61	0	0	0	0	114.8	N197 G232 V237 G238 M415	N197-S242 PolarHBondContact OD1-N 3.13Å; G232-S242 CarbonylContact C-O 3.52Å; V237-S242 VanDerWaalsContact CG2-OG 3.29Å; V237-S242 WeakPolarHBondContact CG2-OG 3.45Å; G238-S242 WeakPolarHBondContact O-CB 3.46Å; G238-S242 PolarHBondContact O-OG 2.93Å; S242-M415 VanDerWaalsContact CB-CB 3.44Å; S242-M415 WeakPolarHBondContact OG-CG 3.28Å
243	Q	98.4	Very high	96.8	Very high	24 Å²	24	42.9 Å²	42.9	11%	0.112	24%	0.243	C	C	.	.			trans	-78.2	136	-172.5	-178.1	174.2	-26.4	0	0	111.6	N197 G232 F245 W379	N197-Q243 WeakPolarHBondContact OD1-CB 3.2Å; N197-Q243 PolarHBondContact OD1-N 2.94Å; G232-Q243 WeakPolarHBondContact CA-O 3.39Å; G232-Q243 PolarHBondContact N-O 3.42Å; G232-Q243 VanDerWaalsContact N-O 3.11Å; Q243-F245 HydrophobicContact CB-CD2 4.33Å; Q243-F245 HydrophobicContact CB-CE2 3.6Å; Q243-F245 HydrophobicContact CB-CZ 3.94Å; Q243-F245 HydrophobicContact CG-CD2 4.11Å; Q243-F245 HydrophobicContact CG-CE1 4.24Å; Q243-F245 HydrophobicContact CG-CE2 3.63Å; Q243-F245 HydrophobicContact CG-CZ 3.7Å; Q243-F245 WeakPolarHBondContact O-CD2 3.41Å; Q243-W379 HydrophobicContact CB-CH2 4.46Å; Q243-W379 HydrophobicContact CG-CH2 3.94Å; Q243-W379 HydrophobicContact CG-CZ3 3.9Å
244	D	98.3	Very high	96.9	Very high	14 Å²	14	44.7 Å²	44.7	8%	0.075	26%	0.262	C	S	.	.			trans	-92.9	117.1	170.5	-173.4	-11.3	0	0	0	110	N231 S246 G378	N231-D244 PolarHBondContact ND2-OD1 3.26Å; D244-S246 WeakPolarHBondContact OD1-CB 3.44Å; D244-S246 PolarHBondContact OD1-N 2.66Å; D244-S246 PolarHBondContact OD1-OG 2.85Å; D244-G378 PolarHBondContact OD2-N 3.18Å
245	F	98.6	Very high	97.3	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	26%	0.263	C	S	.	.			trans	-96.3	6.5	-178.6	-68.1	-93	0	0	0	113.8	I196 N197 M200 N231 Q243 W248 Y249	I196-F245 HydrophobicContact CB-CD2 4.14Å; I196-F245 HydrophobicContact CG2-CB 3.74Å; I196-F245 HydrophobicContact CG2-CD2 3.53Å; I196-F245 HydrophobicContact CG2-CE2 4.31Å; I196-F245 HydrophobicContact CG2-CG 3.72Å; N197-F245 VanDerWaalsContact CA-CE2 3.5Å; N197-F245 HydrophobicContact CB-CE2 4.34Å; M200-F245 HydrophobicContact CE-CZ 3.97Å; M200-F245 HydrophobicContact CG-CD1 4.41Å; M200-F245 HydrophobicContact CG-CE1 3.29Å; M200-F245 HydrophobicContact CG-CZ 3.52Å; M200-F245 HydrophobicContact SD-CE1 3.63Å; M200-F245 HydrophobicContact SD-CZ 3.69Å; N231-F245 PolarHBondContact OD1-N 3.29Å; Q243-F245 HydrophobicContact CB-CD2 4.33Å; Q243-F245 HydrophobicContact CB-CE2 3.6Å; Q243-F245 HydrophobicContact CB-CZ 3.94Å; Q243-F245 HydrophobicContact CG-CD2 4.11Å; Q243-F245 HydrophobicContact CG-CE1 4.24Å; Q243-F245 HydrophobicContact CG-CE2 3.63Å; Q243-F245 HydrophobicContact CG-CZ 3.7Å; Q243-F245 WeakPolarHBondContact O-CD2 3.41Å; F245-W248 HydrophobicContact CD1-CB 4.44Å; F245-W248 HydrophobicContact CD1-CD2 4Å; F245-W248 AromaticContact CD1-CE3 3.88Å; F245-W248 HydrophobicContact CD1-CE3 3.88Å; F245-W248 HydrophobicContact CD1-CG 4.26Å; F245-W248 HydrophobicContact CD1-CZ3 4.46Å; F245-W248 HydrophobicContact CE1-CD2 4.34Å; F245-W248 AromaticContact CE1-CE3 4Å; F245-W248 HydrophobicContact CE1-CE3 4Å; F245-W248 HydrophobicContact CE1-CZ3 4.12Å; F245-W248 PolarHBondContact O-N 3.33Å; F245-Y249 HydrophobicContact CB-CD2 3.69Å; F245-Y249 HydrophobicContact CB-CE2 3.56Å; F245-Y249 HydrophobicContact CD1-CE2 4.44Å; F245-Y249 HydrophobicContact CG-CE2 4.19Å; F245-Y249 PolarHBondContact O-N 3.42Å; F245-Y249 VanDerWaalsContact O-N 3.14Å
246	S	98.6	Very high	97.7	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-43.9	-53.2	173.8	-65.9	0	0	0	0	113.2	D244 W248 S250 F325 L354	D244-S246 WeakPolarHBondContact OD1-CB 3.44Å; D244-S246 PolarHBondContact OD1-N 2.66Å; D244-S246 PolarHBondContact OD1-OG 2.85Å; S246-W248 VanDerWaalsContact C-N 3.35Å; S246-W248 PolarHBondContact O-N 2.74Å; S246-S250 VanDerWaalsContact O-CB 3.23Å; S246-S250 WeakPolarHBondContact O-CB 3.42Å; S246-S250 PolarHBondContact O-N 3.45Å; S246-S250 VanDerWaalsContact O-N 3.16Å; S246-S250 PolarHBondContact O-OG 3.32Å; S246-F325 WeakPolarHBondContact OG-CE2 3.44Å; S246-L354 VanDerWaalsContact CB-CD1 3.47Å
247	P	98.1	Very high	98	Very high	25 Å²	25	43 Å²	43	16%	0.162	24%	0.241	C	C	.	.	H	α-helix	trans	-67.1	-31.3	179.1	24.3	-33.3	0	0	0	113.7	S250 N251 C382	P247-S250 WeakPolarHBondContact CA-OG 3.48Å; P247-S250 PolarHBondContact O-OG 3.08Å; P247-N251 VanDerWaalsContact O-CB 3.31Å; P247-N251 WeakPolarHBondContact O-CB 3.44Å; P247-N251 PolarHBondContact O-N 3.27Å; P247-C382 WeakPolarHBondContact CB-O 3.31Å
248	W	98.7	Very high	98.2	Very high	120 Å²	120	40.7 Å²	40.7	46%	0.455	23%	0.228	S	C	.	.	H	α-helix	trans	-68.9	-53.3	-176.5	-75.4	33.6	0	0	0	111.4	M200 I203 F245 S246 N251 C252	M200-W248 HydrophobicContact CG-CZ3 4.32Å; M200-W248 HydrophobicContact SD-CH2 4.19Å; M200-W248 HydrophobicContact SD-CZ3 4.19Å; I203-W248 HydrophobicContact CD1-CE3 3.8Å; I203-W248 HydrophobicContact CD1-CZ3 4.25Å; F245-W248 HydrophobicContact CD1-CB 4.44Å; F245-W248 HydrophobicContact CD1-CD2 4Å; F245-W248 AromaticContact CD1-CE3 3.88Å; F245-W248 HydrophobicContact CD1-CE3 3.88Å; F245-W248 HydrophobicContact CD1-CG 4.26Å; F245-W248 HydrophobicContact CD1-CZ3 4.46Å; F245-W248 HydrophobicContact CE1-CD2 4.34Å; F245-W248 AromaticContact CE1-CE3 4Å; F245-W248 HydrophobicContact CE1-CE3 4Å; F245-W248 HydrophobicContact CE1-CZ3 4.12Å; F245-W248 PolarHBondContact O-N 3.33Å; S246-W248 VanDerWaalsContact C-N 3.35Å; S246-W248 PolarHBondContact O-N 2.74Å; W248-N251 PolarHBondContact O-N 2.98Å; W248-C252 PolarHBondContact O-SG 3Å
249	Y	98.7	Very high	98.4	Very high	1 Å²	1	40 Å²	40	0%	0.004	22%	0.221	C	C	.	.	H	α-helix	trans	-72	-37.3	-178.2	-67.7	-65.4	0	0	0	112.1	I196 A199 I203 I206 F245 N251 C252 L255 V281 L283	I196-Y249 HydrophobicContact CG2-CE2 3.61Å; A199-Y249 VanDerWaalsContact CB-OH 3.31Å; A199-Y249 WeakPolarHBondContact CB-OH 3.47Å; I203-Y249 HydrophobicContact CD1-CE1 4.26Å; I203-Y249 HydrophobicContact CG1-CE1 4.02Å; I206-Y249 HydrophobicContact CB-CE1 4.41Å; I206-Y249 HydrophobicContact CD1-CE1 3.93Å; I206-Y249 HydrophobicContact CG2-CD1 4.16Å; I206-Y249 HydrophobicContact CG2-CE1 3.8Å; F245-Y249 HydrophobicContact CB-CD2 3.69Å; F245-Y249 HydrophobicContact CB-CE2 3.56Å; F245-Y249 HydrophobicContact CD1-CE2 4.44Å; F245-Y249 HydrophobicContact CG-CE2 4.19Å; F245-Y249 PolarHBondContact O-N 3.42Å; F245-Y249 VanDerWaalsContact O-N 3.14Å; Y249-N251 PolarHBondContact O-N 3.14Å; Y249-C252 PolarHBondContact O-N 2.88Å; Y249-C252 VanDerWaalsContact O-N 3.13Å; Y249-L255 HydrophobicContact CD1-CD1 4Å; Y249-V281 HydrophobicContact CD1-CG2 4.08Å; Y249-V281 HydrophobicContact CD2-CG1 4.03Å; Y249-V281 HydrophobicContact CE2-CG1 4.4Å; Y249-V281 HydrophobicContact CG-CG1 4.11Å; Y249-V281 HydrophobicContact CG-CG2 4.24Å; Y249-L283 HydrophobicContact CD2-CD2 4.08Å; Y249-L283 HydrophobicContact CE2-CD2 4.38Å
250	S	98.3	Very high	98.4	Very high	23 Å²	23	38.1 Å²	38.1	16%	0.161	21%	0.205	C	C	.	.	H	α-helix	trans	-68.8	-18.4	179.9	61.9	0	0	0	0	113.5	S246 P247 C252 R355	S246-S250 VanDerWaalsContact O-CB 3.23Å; S246-S250 WeakPolarHBondContact O-CB 3.42Å; S246-S250 PolarHBondContact O-N 3.45Å; S246-S250 VanDerWaalsContact O-N 3.16Å; S246-S250 PolarHBondContact O-OG 3.32Å; P247-S250 WeakPolarHBondContact CA-OG 3.48Å; P247-S250 PolarHBondContact O-OG 3.08Å; S250-C252 VanDerWaalsContact C-N 3.31Å; S250-C252 PolarHBondContact O-N 2.75Å; S250-R355 VanDerWaalsContact O-CD 3.31Å; S250-R355 WeakPolarHBondContact O-CD 3.23Å; S250-R355 PolarHBondContact O-NH1 2.74Å
251	N	98	Very high	98.4	Very high	127 Å²	127	30.5 Å²	30.5	68%	0.679	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-11.5	173.9	-168.4	42.1	0	0	0	113.8	P247 W248 Y249 P253	P247-N251 VanDerWaalsContact O-CB 3.31Å; P247-N251 WeakPolarHBondContact O-CB 3.44Å; P247-N251 PolarHBondContact O-N 3.27Å; W248-N251 PolarHBondContact O-N 2.98Å; Y249-N251 PolarHBondContact O-N 3.14Å; N251-P253 WeakPolarHBondContact O-CD 3.17Å
252	C	98.5	Very high	98.5	Very high	19 Å²	19	27.2 Å²	27.2	13%	0.128	16%	0.155	C	C	.	.	S	Bend	trans	-95.8	114.6	-171.9	-65.7	0	0	0	0	112.7	I207 W248 Y249 S250 L255 R355	I207-C252 VanDerWaalsContact CD1-SG 3.59Å; W248-C252 PolarHBondContact O-SG 3Å; Y249-C252 PolarHBondContact O-N 2.88Å; Y249-C252 VanDerWaalsContact O-N 3.13Å; S250-C252 VanDerWaalsContact C-N 3.31Å; S250-C252 PolarHBondContact O-N 2.75Å; C252-L255 HydrophobicContact CB-CD1 3.87Å; C252-L255 HydrophobicContact CB-CG 4.16Å; C252-L255 PolarHBondContact O-N 3.43Å; C252-R355 WeakPolarHBondContact O-CD 3.33Å; C252-R355 PolarHBondContact O-NE 2.66Å; C252-R355 VanDerWaalsContact O-NE 3.1Å
253	P	98.3	Very high	98.5	Very high	93 Å²	93	26.8 Å²	26.8	60%	0.604	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	145.3	170.8	-22.2	34.5	0	0	0	112.3	N251 L255	N251-P253 WeakPolarHBondContact O-CD 3.17Å; P253-L255 VanDerWaalsContact C-N 3.28Å; P253-L255 PolarHBondContact O-N 2.69Å
254	G	97.8	Very high	98.5	Very high	43 Å²	43	27.2 Å²	27.2	44%	0.443	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.1	-18.4	-176.9	0	0	0	0	0	114.5	G211	G211-G254 VanDerWaalsContact O-CA 3.3Å; G211-G254 WeakPolarHBondContact O-CA 3.18Å
255	L	98.6	Very high	98.5	Very high	6 Å²	6	26.5 Å²	26.5	3%	0.031	15%	0.15	C	C	.	.			trans	-87.8	153.1	167.5	-58.6	-173.2	0	0	0	111.5	I206 Y249 C252 P253 P279 V281 R355	I206-L255 HydrophobicContact CG2-CD1 4.05Å; I206-L255 HydrophobicContact CG2-CD2 4.35Å; Y249-L255 HydrophobicContact CD1-CD1 4Å; C252-L255 HydrophobicContact CB-CD1 3.87Å; C252-L255 HydrophobicContact CB-CG 4.16Å; C252-L255 PolarHBondContact O-N 3.43Å; P253-L255 VanDerWaalsContact C-N 3.28Å; P253-L255 PolarHBondContact O-N 2.69Å; L255-P279 HydrophobicContact CD2-CB 3.74Å; L255-P279 HydrophobicContact CD2-CG 4.49Å; L255-V281 HydrophobicContact CD1-CG2 4.15Å; L255-R355 VanDerWaalsContact O-CD 3.24Å; L255-R355 WeakPolarHBondContact O-CD 3.49Å
256	K	98.8	Very high	98.5	Very high	48 Å²	48	26.5 Å²	26.5	21%	0.209	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	142.6	157.8	-63.7	169.3	177.3	170.5	0	108.3	D276 N278 P279 V280 V281 F308 R355	K256-D276 IonicContact NZ-OD1 3.65Å; K256-D276 PolarHBondContact NZ-OD1 2.71Å; K256-D276 IonicContact NZ-OD2 3.5Å; K256-D276 PolarHBondContact NZ-OD2 2.58Å; K256-N278 PolarHBondContact NZ-ND2 3.1Å; K256-P279 PolarHBondContact N-O 3.45Å; K256-P279 VanDerWaalsContact N-O 3.1Å; K256-V280 HydrophobicContact CB-CG1 4.28Å; K256-V280 HydrophobicContact CB-CG2 4.2Å; K256-V280 HydrophobicContact CD-CG2 4.35Å; K256-V280 CarbonylContact O-C 3.55Å; K256-V280 WeakPolarHBondContact O-CA 3.39Å; K256-V281 PolarHBondContact O-N 3.25Å; K256-F308 HydrophobicContact CD-CD2 3.79Å; K256-F308 HydrophobicContact CD-CE2 3.94Å; K256-R355 CarbonylContact C-O 3.46Å; K256-R355 VanDerWaalsContact CA-O 3.22Å; K256-R355 WeakPolarHBondContact CA-O 3.3Å
257	V	98.9	Very high	98.5	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	118.5	-175.2	-174.6	0	0	0	0	109.9	V259 V281 L283 T353 L354 R355	V257-V259 HydrophobicContact CG1-CG2 4.43Å; V257-V281 WeakPolarHBondContact CA-O 3.5Å; V257-V281 HydrophobicContact CG2-CB 4.35Å; V257-L283 HydrophobicContact CG1-CD1 3.71Å; V257-L283 HydrophobicContact CG1-CG 4.16Å; V257-T353 WeakPolarHBondContact O-CA 2.97Å; V257-T353 WeakPolarHBondContact O-CG2 3.16Å; V257-L354 HydrophobicContact CB-CB 4.38Å; V257-L354 HydrophobicContact CG1-CB 4.36Å; V257-L354 HydrophobicContact CG1-CD1 4.48Å; V257-L354 PolarHBondContact O-N 2.75Å; V257-R355 HydrophobicContact CB-CB 4.21Å; V257-R355 HydrophobicContact CG2-CB 4.21Å; V257-R355 PolarHBondContact N-O 2.89Å; V257-R355 PolarHBondContact O-N 3.39Å
258	I	98.9	Very high	98.6	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	147.8	178	61.6	175.6	0	0	0	110.6	L269 A273 V280 V281 C282 L283 F308 R352 T353	I258-L269 HydrophobicContact CB-CB 4.47Å; I258-L269 HydrophobicContact CB-CD1 4.44Å; I258-L269 HydrophobicContact CD1-CB 3.7Å; I258-L269 HydrophobicContact CG2-CD2 4.34Å; I258-A273 HydrophobicContact CD1-CB 4.03Å; I258-V280 HydrophobicContact CD1-CG1 4.23Å; I258-V280 HydrophobicContact CG1-CG1 4.21Å; I258-V281 PolarHBondContact N-O 2.92Å; I258-C282 HydrophobicContact CD1-CB 3.89Å; I258-C282 HydrophobicContact CG1-CB 3.88Å; I258-L283 PolarHBondContact O-N 2.91Å; I258-F308 HydrophobicContact CD1-CE1 4.27Å; I258-F308 HydrophobicContact CG2-CD1 3.54Å; I258-F308 HydrophobicContact CG2-CE1 3.43Å; I258-F308 VanDerWaalsContact CG2-CE1 3.43Å; I258-F308 HydrophobicContact CG2-CG 4.42Å; I258-F308 HydrophobicContact CG2-CZ 4.19Å; I258-R352 WeakPolarHBondContact CA-O 3.48Å; I258-T353 HydrophobicContact CG2-CG2 4.32Å
259	V	98.7	Very high	98.6	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.121	C	C	.	.			trans	-143.4	82.5	-173.6	-160.5	0	0	0	0	109.3	V257 L283 F325 R352 L354	V257-V259 HydrophobicContact CG1-CG2 4.43Å; V259-L283 WeakPolarHBondContact CA-O 3.43Å; V259-L283 HydrophobicContact CG1-CB 4.15Å; V259-L283 WeakPolarHBondContact CG1-O 3.33Å; V259-L283 HydrophobicContact CG2-CB 4.14Å; V259-L283 HydrophobicContact CG2-CD1 4.18Å; V259-F325 HydrophobicContact CB-CB 4.47Å; V259-F325 HydrophobicContact CB-CD2 4.4Å; V259-F325 HydrophobicContact CG1-CD2 3.86Å; V259-R352 PolarHBondContact N-O 3.28Å; V259-L354 HydrophobicContact CG2-CD1 3.53Å; V259-L354 HydrophobicContact CG2-CG 3.65Å
260	P	98.7	Very high	98.6	Very high	6 Å²	6	19.8 Å²	19.8	4%	0.039	12%	0.121	C	C	.	.			trans	-66.6	148.6	-174.9	27.5	-35.4	0	0	0	112.7	D265 A266 L269 L283 E284	P260-D265 HydrophobicContact CB-CB 3.75Å; P260-A266 HydrophobicContact CB-CB 4.05Å; P260-A266 HydrophobicContact CG-CB 4.46Å; P260-L269 HydrophobicContact CB-CD1 4.27Å; P260-L283 WeakPolarHBondContact CD-O 3.49Å; P260-E284 HydrophobicContact CG-CG 4.39Å
261	F	98.6	Very high	98.6	Very high	5 Å²	5	18.7 Å²	18.7	2%	0.022	11%	0.113	C	C	.	.			trans	-111.2	-49.6	172.7	160	-121.4	0	0	0	112	D265 L288 F293 S326 V329 Q330 L333	F261-D265 PolarHBondContact N-OD2 3.29Å; F261-L288 HydrophobicContact CD2-CD1 4.2Å; F261-L288 HydrophobicContact CD2-CD2 4.36Å; F261-L288 HydrophobicContact CE2-CD2 4.4Å; F261-L288 WeakPolarHBondContact O-CD1 3.21Å; F261-F293 HydrophobicContact CD2-CZ 4.38Å; F261-F293 HydrophobicContact CE1-CE1 4.08Å; F261-F293 HydrophobicContact CE1-CZ 4.47Å; F261-F293 HydrophobicContact CE2-CE1 4.11Å; F261-F293 AromaticContact CE2-CZ 3.77Å; F261-F293 HydrophobicContact CE2-CZ 3.77Å; F261-F293 AromaticContact CZ-CE1 3.68Å; F261-F293 HydrophobicContact CZ-CE1 3.68Å; F261-F293 AromaticContact CZ-CZ 3.85Å; F261-F293 HydrophobicContact CZ-CZ 3.85Å; F261-S326 VanDerWaalsContact CD2-O 3.25Å; F261-S326 WeakPolarHBondContact CD2-O 3.14Å; F261-V329 HydrophobicContact CB-CB 4.17Å; F261-V329 HydrophobicContact CB-CG2 4.08Å; F261-V329 HydrophobicContact CD1-CB 3.69Å; F261-V329 HydrophobicContact CD1-CG1 3.4Å; F261-V329 VanDerWaalsContact CD1-CG1 3.4Å; F261-V329 HydrophobicContact CD1-CG2 4.33Å; F261-V329 HydrophobicContact CD2-CB 3.83Å; F261-V329 HydrophobicContact CD2-CG1 4.39Å; F261-V329 HydrophobicContact CE1-CB 3.99Å; F261-V329 HydrophobicContact CE1-CG1 3.48Å; F261-V329 VanDerWaalsContact CE1-CG1 3.48Å; F261-V329 HydrophobicContact CE2-CB 4.15Å; F261-V329 HydrophobicContact CE2-CG1 4.48Å; F261-V329 HydrophobicContact CG-CB 3.59Å; F261-V329 HydrophobicContact CG-CG1 3.89Å; F261-V329 HydrophobicContact CG-CG2 4.06Å; F261-V329 HydrophobicContact CZ-CB 4.21Å; F261-V329 HydrophobicContact CZ-CG1 4.04Å; F261-Q330 HydrophobicContact CE2-CB 3.8Å; F261-Q330 HydrophobicContact CZ-CB 4.11Å; F261-L333 HydrophobicContact CE1-CD1 4.03Å; F261-L333 HydrophobicContact CZ-CD1 4.11Å
262	S	98.5	Very high	98.6	Very high	8 Å²	8	13.6 Å²	13.6	6%	0.056	9%	0.087	C	C	.	.	S	Bend	trans	-102.9	169.2	-175.9	64.1	0	0	0	0	112.9	E264 D265 A266	S262-E264 VanDerWaalsContact C-N 3.27Å; S262-E264 PolarHBondContact O-N 3.03Å; S262-D265 PolarHBondContact N-OD2 2.98Å; S262-D265 WeakPolarHBondContact O-CB 3.44Å; S262-D265 PolarHBondContact O-N 2.9Å; S262-D265 VanDerWaalsContact O-N 3.14Å; S262-D265 PolarHBondContact OG-N 2.79Å; S262-D265 PolarHBondContact OG-OD1 3.42Å; S262-D265 PolarHBondContact OG-OD2 3.34Å; S262-D265 VanDerWaalsContact OG-OD2 3.05Å; S262-A266 WeakPolarHBondContact O-CB 3.23Å; S262-A266 PolarHBondContact O-N 3.38Å
263	S	98.5	Very high	98.7	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-58.7	-37.1	172.3	-58.1	0	0	0	0	112.3	L116 T117 V118 A121 K267 M295	L116-S263 PolarHBondContact O-OG 3.14Å; T117-S263 VanDerWaalsContact C-OG 3.3Å; T117-S263 PolarHBondContact O-OG 3.38Å; V118-S263 PolarHBondContact N-OG 3.32Å; A121-S263 VanDerWaalsContact CB-O 3.27Å; A121-S263 WeakPolarHBondContact CB-O 3.29Å; S263-K267 WeakPolarHBondContact O-CB 3.48Å; S263-K267 PolarHBondContact O-N 2.68Å; S263-M295 WeakPolarHBondContact CB-SD 3.33Å
264	E	98.3	Very high	98.7	Very high	33 Å²	33	8.5 Å²	8.5	15%	0.154	5%	0.054	C	C	.	.	H	α-helix	trans	-64.2	-44.7	173.6	-66	-166.3	147.5	0	0	111.5	S262 G268 M295 S296 A299 F304 I306	S262-E264 VanDerWaalsContact C-N 3.27Å; S262-E264 PolarHBondContact O-N 3.03Å; E264-G268 PolarHBondContact O-N 3.17Å; E264-M295 HydrophobicContact CG-CE 4.09Å; E264-M295 HydrophobicContact CG-SD 3.7Å; E264-S296 VanDerWaalsContact OE1-CB 3.28Å; E264-S296 WeakPolarHBondContact OE1-CB 3.44Å; E264-S296 PolarHBondContact OE1-N 2.99Å; E264-S296 PolarHBondContact OE1-OG 3.36Å; E264-A299 HydrophobicContact CB-CB 4.42Å; E264-A299 HydrophobicContact CG-CB 3.7Å; E264-A299 WeakPolarHBondContact OE1-CB 3.49Å; E264-F304 HydrophobicContact CB-CE1 4.46Å; E264-F304 HydrophobicContact CB-CZ 4.42Å; E264-F304 WeakPolarHBondContact O-CE1 3.23Å; E264-I306 VanDerWaalsContact O-CD1 3.26Å; E264-I306 WeakPolarHBondContact O-CD1 3.45Å
265	D	98.7	Very high	98.7	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-60.7	-48.7	177.5	-58.7	-25.7	0	0	0	110.9	P260 F261 S262 K267 L269 N350 R352	P260-D265 HydrophobicContact CB-CB 3.75Å; F261-D265 PolarHBondContact N-OD2 3.29Å; S262-D265 PolarHBondContact N-OD2 2.98Å; S262-D265 WeakPolarHBondContact O-CB 3.44Å; S262-D265 PolarHBondContact O-N 2.9Å; S262-D265 VanDerWaalsContact O-N 3.14Å; S262-D265 PolarHBondContact OG-N 2.79Å; S262-D265 PolarHBondContact OG-OD1 3.42Å; S262-D265 PolarHBondContact OG-OD2 3.34Å; S262-D265 VanDerWaalsContact OG-OD2 3.05Å; D265-K267 PolarHBondContact O-N 2.73Å; D265-L269 HydrophobicContact CB-CD1 3.98Å; D265-L269 WeakPolarHBondContact O-CB 3.3Å; D265-L269 WeakPolarHBondContact O-CD1 3.32Å; D265-L269 WeakPolarHBondContact O-CG 3.45Å; D265-L269 PolarHBondContact O-N 3.14Å; D265-N350 PolarHBondContact OD2-ND2 2.96Å; D265-R352 IonicContact OD1-CZ 2.61Å; D265-R352 IonicContact OD1-NE 3.41Å; D265-R352 PolarHBondContact OD1-NE 2.83Å; D265-R352 IonicContact OD1-NH2 2.83Å; D265-R352 PolarHBondContact OD1-NH2 2.85Å
266	A	98.8	Very high	98.7	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-59.4	-48.3	-177.4	0	0	0	0	0	111.5	V118 A121 L122 P260 S262 L270	V118-A266 HydrophobicContact CG1-CB 3.83Å; A121-A266 HydrophobicContact CB-CB 4.33Å; L122-A266 HydrophobicContact CD2-CB 3.85Å; L122-A266 HydrophobicContact CG-CB 3.92Å; P260-A266 HydrophobicContact CB-CB 4.05Å; P260-A266 HydrophobicContact CG-CB 4.46Å; S262-A266 WeakPolarHBondContact O-CB 3.23Å; S262-A266 PolarHBondContact O-N 3.38Å; A266-L270 WeakPolarHBondContact O-CB 3.34Å; A266-L270 PolarHBondContact O-N 3.27Å
267	K	98.7	Very high	98.6	Very high	4 Å²	4	11.6 Å²	11.6	2%	0.017	6%	0.061	C	C	.	.	H	α-helix	trans	-65.3	-55.7	177.3	-177.1	171.4	179.8	171	0	111.8	A121 A125 E128 S263 D265 K271 M295 A299 M300 F304	A121-K267 HydrophobicContact CB-CB 4.16Å; A125-K267 HydrophobicContact CB-CG 4.24Å; E128-K267 WeakPolarHBondContact OE1-CE 3.42Å; E128-K267 IonicContact OE1-NZ 2.59Å; E128-K267 PolarHBondContact OE1-NZ 3.4Å; E128-K267 WeakPolarHBondContact OE2-CE 3.43Å; E128-K267 IonicContact OE2-NZ 2.8Å; S263-K267 WeakPolarHBondContact O-CB 3.48Å; S263-K267 PolarHBondContact O-N 2.68Å; D265-K267 PolarHBondContact O-N 2.73Å; K267-K271 HydrophobicContact CG-CD 3.83Å; K267-K271 WeakPolarHBondContact O-CD 3.32Å; K267-K271 VanDerWaalsContact O-CG 3.23Å; K267-K271 WeakPolarHBondContact O-CG 3.19Å; K267-K271 PolarHBondContact O-N 3.39Å; K267-K271 VanDerWaalsContact O-N 3.12Å; K267-M295 HydrophobicContact CD-CE 4.3Å; K267-A299 WeakPolarHBondContact CD-O 3.26Å; K267-A299 WeakPolarHBondContact CE-O 3.47Å; K267-A299 PolarHBondContact NZ-O 2.78Å; K267-M300 PolarHBondContact NZ-O 3.02Å; K267-F304 HydrophobicContact CG-CD1 4.36Å
268	G	98.7	Very high	98.5	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-68.8	-38.3	-170.8	0	0	0	0	0	113.9	E264 T272 I306	E264-G268 PolarHBondContact O-N 3.17Å; G268-T272 WeakPolarHBondContact O-CB 3.39Å; G268-T272 PolarHBondContact O-N 3.3Å; G268-T272 PolarHBondContact O-OG1 3.01Å; G268-I306 PolarHBondContact O-N 3.34Å
269	L	98.9	Very high	98.5	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-74	-41.6	178.8	-64.1	167.4	0	0	0	111.4	I258 P260 D265 T272 A273 I306 F308 R352	I258-L269 HydrophobicContact CB-CB 4.47Å; I258-L269 HydrophobicContact CB-CD1 4.44Å; I258-L269 HydrophobicContact CD1-CB 3.7Å; I258-L269 HydrophobicContact CG2-CD2 4.34Å; P260-L269 HydrophobicContact CB-CD1 4.27Å; D265-L269 HydrophobicContact CB-CD1 3.98Å; D265-L269 WeakPolarHBondContact O-CB 3.3Å; D265-L269 WeakPolarHBondContact O-CD1 3.32Å; D265-L269 WeakPolarHBondContact O-CG 3.45Å; D265-L269 PolarHBondContact O-N 3.14Å; L269-T272 WeakPolarHBondContact O-CB 3.33Å; L269-T272 PolarHBondContact O-N 2.71Å; L269-A273 WeakPolarHBondContact O-CB 3.29Å; L269-A273 PolarHBondContact O-N 3.48Å; L269-I306 HydrophobicContact CD2-CB 3.93Å; L269-I306 HydrophobicContact CD2-CG2 3.59Å; L269-I306 HydrophobicContact CG-CB 4.21Å; L269-I306 HydrophobicContact CG-CG2 4.18Å; L269-F308 HydrophobicContact CD2-CD1 4.13Å; L269-F308 HydrophobicContact CD2-CE1 4.36Å; L269-R352 HydrophobicContact CD1-CB 3.95Å; L269-R352 HydrophobicContact CD1-CG 4.37Å; L269-R352 HydrophobicContact CD2-CB 4.43Å
270	L	98.9	Very high	98.5	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-65.3	-42.4	179.2	-177.9	57.8	0	0	0	111.5	L122 A125 M126 V226 A266 T272 A273 I274	L122-L270 HydrophobicContact CB-CD2 4.43Å; L122-L270 HydrophobicContact CD2-CB 4.43Å; L122-L270 HydrophobicContact CD2-CD2 3.73Å; A125-L270 HydrophobicContact CB-CB 4.13Å; A125-L270 HydrophobicContact CB-CD2 4.04Å; A125-L270 HydrophobicContact CB-CG 4.23Å; M126-L270 HydrophobicContact CG-CD2 3.82Å; V226-L270 HydrophobicContact CG1-CD1 3.98Å; A266-L270 WeakPolarHBondContact O-CB 3.34Å; A266-L270 PolarHBondContact O-N 3.27Å; L270-T272 VanDerWaalsContact C-N 3.29Å; L270-T272 PolarHBondContact O-N 3.31Å; L270-A273 WeakPolarHBondContact O-CB 3.48Å; L270-A273 PolarHBondContact O-N 2.98Å; L270-A273 VanDerWaalsContact O-N 3.12Å; L270-I274 HydrophobicContact CD1-CD1 4.19Å; L270-I274 HydrophobicContact CD1-CG1 4.28Å; L270-I274 HydrophobicContact CG-CD1 3.94Å; L270-I274 WeakPolarHBondContact O-CG1 3.43Å; L270-I274 PolarHBondContact O-N 3.5Å
271	K	98.9	Very high	98.5	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-59.1	-42	173	-68.6	170.1	67.7	69.1	0	111.7	A125 E128 E129 K267 A273 I274 R275 D302 F304 L305	A125-K271 HydrophobicContact CB-CD 4.28Å; A125-K271 HydrophobicContact CB-CG 3.65Å; E128-K271 WeakPolarHBondContact OE2-CD 3.33Å; E128-K271 VanDerWaalsContact OE2-CE 3.3Å; E128-K271 WeakPolarHBondContact OE2-CE 3.28Å; E128-K271 IonicContact OE2-NZ 3.33Å; E128-K271 PolarHBondContact OE2-NZ 3.48Å; E129-K271 HydrophobicContact CG-CB 4.25Å; E129-K271 HydrophobicContact CG-CG 4.04Å; E129-K271 WeakPolarHBondContact OE1-CE 3.28Å; E129-K271 IonicContact OE1-NZ 3.67Å; E129-K271 PolarHBondContact OE1-NZ 3.14Å; K267-K271 HydrophobicContact CG-CD 3.83Å; K267-K271 WeakPolarHBondContact O-CD 3.32Å; K267-K271 VanDerWaalsContact O-CG 3.23Å; K267-K271 WeakPolarHBondContact O-CG 3.19Å; K267-K271 PolarHBondContact O-N 3.39Å; K267-K271 VanDerWaalsContact O-N 3.12Å; K271-A273 VanDerWaalsContact C-N 3.32Å; K271-A273 PolarHBondContact O-N 3.43Å; K271-I274 PolarHBondContact O-N 3.29Å; K271-R275 VanDerWaalsContact O-CG 3.31Å; K271-R275 WeakPolarHBondContact O-CG 3.45Å; K271-R275 PolarHBondContact O-N 3.49Å; K271-R275 VanDerWaalsContact O-N 3.13Å; K271-D302 WeakPolarHBondContact CE-O 3.44Å; K271-D302 PolarHBondContact NZ-O 3.48Å; K271-F304 WeakPolarHBondContact CD-O 3.48Å; K271-F304 WeakPolarHBondContact CE-O 3.37Å; K271-L305 HydrophobicContact CB-CD2 3.53Å
272	T	98.8	Very high	98.6	Very high	20 Å²	20	13 Å²	13	12%	0.123	7%	0.068	C	C	.	.	H	α-helix	trans	-63.3	-39.6	175.8	-55.9	0	0	0	0	111.2	G268 L269 L270 R275 D276 I306 F308	G268-T272 WeakPolarHBondContact O-CB 3.39Å; G268-T272 PolarHBondContact O-N 3.3Å; G268-T272 PolarHBondContact O-OG1 3.01Å; L269-T272 WeakPolarHBondContact O-CB 3.33Å; L269-T272 PolarHBondContact O-N 2.71Å; L270-T272 VanDerWaalsContact C-N 3.29Å; L270-T272 PolarHBondContact O-N 3.31Å; T272-R275 PolarHBondContact O-N 2.98Å; T272-D276 PolarHBondContact O-N 2.72Å; T272-I306 WeakPolarHBondContact CB-O 3.45Å; T272-I306 PolarHBondContact OG1-N 3.4Å; T272-I306 PolarHBondContact OG1-O 2.85Å; T272-F308 HydrophobicContact CG2-CD1 4.02Å; T272-F308 HydrophobicContact CG2-CD2 4.22Å; T272-F308 HydrophobicContact CG2-CE1 3.72Å; T272-F308 HydrophobicContact CG2-CE2 3.99Å; T272-F308 HydrophobicContact CG2-CG 4.28Å; T272-F308 HydrophobicContact CG2-CZ 3.75Å
273	A	98.9	Very high	98.6	Very high	1 Å²	1	12.6 Å²	12.6	1%	0.008	7%	0.066	C	C	.	.	H	α-helix	trans	-62.2	-48.1	175.6	0	0	0	0	0	112.5	V226 I258 L269 L270 K271 R275 D276 V280 F308	V226-A273 HydrophobicContact CG1-CB 4.28Å; V226-A273 VanDerWaalsContact CG2-C 3.46Å; V226-A273 HydrophobicContact CG2-CB 3.78Å; V226-A273 WeakPolarHBondContact CG2-O 3.46Å; I258-A273 HydrophobicContact CD1-CB 4.03Å; L269-A273 WeakPolarHBondContact O-CB 3.29Å; L269-A273 PolarHBondContact O-N 3.48Å; L270-A273 WeakPolarHBondContact O-CB 3.48Å; L270-A273 PolarHBondContact O-N 2.98Å; L270-A273 VanDerWaalsContact O-N 3.12Å; K271-A273 VanDerWaalsContact C-N 3.32Å; K271-A273 PolarHBondContact O-N 3.43Å; A273-R275 PolarHBondContact O-N 3.05Å; A273-D276 WeakPolarHBondContact O-CB 3.35Å; A273-D276 PolarHBondContact O-N 2.91Å; A273-V280 HydrophobicContact CB-CB 3.88Å; A273-V280 HydrophobicContact CB-CG1 3.64Å; A273-V280 HydrophobicContact CB-CG2 4.17Å; A273-F308 HydrophobicContact CB-CZ 3.91Å
274	I	98.8	Very high	98.6	Very high	5 Å²	5	12.7 Å²	12.7	3%	0.026	7%	0.066	C	C	.	.	H	α-helix	trans	-63.9	-27.7	179.4	-63.7	162.2	0	0	0	111.4	E129 V136 R188 I190 V226 L270 K271	E129-I274 HydrophobicContact CB-CB 4.23Å; E129-I274 HydrophobicContact CB-CD1 3.92Å; E129-I274 HydrophobicContact CB-CG2 3.66Å; E129-I274 HydrophobicContact CG-CB 4.05Å; E129-I274 HydrophobicContact CG-CD1 3.88Å; E129-I274 HydrophobicContact CG-CG2 3.99Å; V136-I274 HydrophobicContact CG1-CG2 3.93Å; V136-I274 HydrophobicContact CG2-CG2 3.73Å; R188-I274 VanDerWaalsContact CZ-O 3.25Å; R188-I274 PolarHBondContact NE-O 3.27Å; R188-I274 PolarHBondContact NH2-O 3.44Å; I190-I274 HydrophobicContact CD1-CD1 3.56Å; I190-I274 HydrophobicContact CD1-CG1 3.87Å; I190-I274 HydrophobicContact CG1-CD1 4.3Å; I190-I274 HydrophobicContact CG1-CG1 4.06Å; V226-I274 HydrophobicContact CG2-CG1 4.05Å; L270-I274 HydrophobicContact CD1-CD1 4.19Å; L270-I274 HydrophobicContact CD1-CG1 4.28Å; L270-I274 HydrophobicContact CG-CD1 3.94Å; L270-I274 WeakPolarHBondContact O-CG1 3.43Å; L270-I274 PolarHBondContact O-N 3.5Å; K271-I274 PolarHBondContact O-N 3.29Å
275	R	98.4	Very high	98.6	Very high	70 Å²	70	11.3 Å²	11.3	26%	0.264	6%	0.06	S	C	.	.	H	α-helix	trans	-85.6	-13.9	176	-66.7	-179.3	-172.4	-174.7	11.3	114.1	E129 R188 K271 T272 A273 D302	E129-R275 VanDerWaalsContact CD-NE 3.34Å; E129-R275 IonicContact OE1-CZ 2.7Å; E129-R275 IonicContact OE1-NE 3.29Å; E129-R275 PolarHBondContact OE1-NE 2.85Å; E129-R275 VanDerWaalsContact OE1-NE 3.14Å; E129-R275 IonicContact OE1-NH2 3.83Å; E129-R275 PolarHBondContact OE1-NH2 2.69Å; E129-R275 VanDerWaalsContact OE2-CG 3.3Å; E129-R275 WeakPolarHBondContact OE2-CG 3.48Å; E129-R275 IonicContact OE2-CZ 3.09Å; E129-R275 IonicContact OE2-NE 2.71Å; E129-R275 PolarHBondContact OE2-NE 3.48Å; E129-R275 IonicContact OE2-NH2 2.81Å; R188-R275 PolarHBondContact NH2-O 3.26Å; K271-R275 VanDerWaalsContact O-CG 3.31Å; K271-R275 WeakPolarHBondContact O-CG 3.45Å; K271-R275 PolarHBondContact O-N 3.49Å; K271-R275 VanDerWaalsContact O-N 3.13Å; T272-R275 PolarHBondContact O-N 2.98Å; A273-R275 PolarHBondContact O-N 3.05Å; R275-D302 PolarHBondContact NH2-O 2.98Å
276	D	98.3	Very high	98.5	Very high	20 Å²	20	13.7 Å²	13.7	11%	0.107	7%	0.071	C	C	.	.			trans	-73.3	138.8	-177.4	-156	-77.5	0	0	0	112.1	R188 K256 T272 A273 N278 V280 F308	R188-D276 PolarHBondContact NH2-O 3.29Å; K256-D276 IonicContact NZ-OD1 3.65Å; K256-D276 PolarHBondContact NZ-OD1 2.71Å; K256-D276 IonicContact NZ-OD2 3.5Å; K256-D276 PolarHBondContact NZ-OD2 2.58Å; T272-D276 PolarHBondContact O-N 2.72Å; A273-D276 WeakPolarHBondContact O-CB 3.35Å; A273-D276 PolarHBondContact O-N 2.91Å; D276-N278 PolarHBondContact O-N 2.98Å; D276-N278 WeakPolarHBondContact OD1-CB 3.35Å; D276-N278 PolarHBondContact OD1-N 2.83Å; D276-N278 PolarHBondContact OD1-ND2 3.36Å; D276-V280 HydrophobicContact CB-CG2 3.88Å; D276-F308 HydrophobicContact CB-CE2 4.2Å
277	P	96.8	Very high	98.4	Very high	71 Å²	71	15.9 Å²	15.9	46%	0.461	8%	0.084	S	C	.	.	S	Bend	trans	-79.2	2	178.4	30.6	-34	0	0	0	114.3	S223	S223-P277 CarbonylContact C-O 3.54Å
278	N	97.5	Very high	98.3	Very high	34 Å²	34	16 Å²	16	18%	0.182	9%	0.085	C	C	.	.	S	Bend	trans	-120.9	166	-175.8	-49.5	-82.6	0	0	0	111.5	L214 S223 K256 D276 V280	L214-N278 WeakPolarHBondContact CD2-OD1 3.43Å; S223-N278 CarbonylContact O-C 3.42Å; K256-N278 PolarHBondContact NZ-ND2 3.1Å; D276-N278 PolarHBondContact O-N 2.98Å; D276-N278 WeakPolarHBondContact OD1-CB 3.35Å; D276-N278 PolarHBondContact OD1-N 2.83Å; D276-N278 PolarHBondContact OD1-ND2 3.36Å; N278-V280 PolarHBondContact O-N 2.72Å
279	P	98.7	Very high	98.3	Very high	4 Å²	4	16.2 Å²	16.2	3%	0.026	9%	0.086	C	C	.	.			trans	-64.5	127	176.6	-21	33.4	0	0	0	112.2	A210 S223 I225 F227 L255 K256	A210-P279 VanDerWaalsContact C-CG 3.47Å; A210-P279 HydrophobicContact CB-CB 4.02Å; A210-P279 HydrophobicContact CB-CG 3.69Å; A210-P279 WeakPolarHBondContact O-CG 3.41Å; S223-P279 VanDerWaalsContact O-CD 3.28Å; S223-P279 WeakPolarHBondContact O-CD 3.33Å; S223-P279 VanDerWaalsContact O-N 3.09Å; I225-P279 HydrophobicContact CG2-CB 3.92Å; I225-P279 HydrophobicContact CG2-CG 4.18Å; I225-P279 WeakPolarHBondContact O-CA 3.4Å; F227-P279 HydrophobicContact CE2-CB 4.24Å; L255-P279 HydrophobicContact CD2-CB 3.74Å; L255-P279 HydrophobicContact CD2-CG 4.49Å; K256-P279 PolarHBondContact N-O 3.45Å; K256-P279 VanDerWaalsContact N-O 3.1Å
280	V	98.9	Very high	98.1	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	130.3	175.7	-171.5	0	0	0	0	110	I225 V226 F227 K256 I258 A273 D276 N278 F308	I225-V280 PolarHBondContact O-N 3.17Å; V226-V280 CarbonylContact C-O 3.56Å; V226-V280 WeakPolarHBondContact CA-O 3.5Å; F227-V280 PolarHBondContact N-O 3.44Å; K256-V280 HydrophobicContact CB-CG1 4.28Å; K256-V280 HydrophobicContact CB-CG2 4.2Å; K256-V280 HydrophobicContact CD-CG2 4.35Å; K256-V280 CarbonylContact O-C 3.55Å; K256-V280 WeakPolarHBondContact O-CA 3.39Å; I258-V280 HydrophobicContact CD1-CG1 4.23Å; I258-V280 HydrophobicContact CG1-CG1 4.21Å; A273-V280 HydrophobicContact CB-CB 3.88Å; A273-V280 HydrophobicContact CB-CG1 3.64Å; A273-V280 HydrophobicContact CB-CG2 4.17Å; D276-V280 HydrophobicContact CB-CG2 3.88Å; N278-V280 PolarHBondContact O-N 2.72Å; V280-F308 HydrophobicContact CG1-CE2 4.38Å; V280-F308 HydrophobicContact CG1-CZ 3.95Å; V280-F308 HydrophobicContact CG2-CE2 4.02Å; V280-F308 HydrophobicContact CG2-CZ 4.22Å
281	V	98.9	Very high	98	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.006	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	119.7	171.5	-174.2	0	0	0	0	108.7	I206 F227 Y249 L255 K256 V257 I258 L283	I206-V281 HydrophobicContact CG2-CG2 4.23Å; F227-V281 HydrophobicContact CB-CG2 4.5Å; F227-V281 HydrophobicContact CD2-CG2 4.24Å; F227-V281 CarbonylContact O-C 3.4Å; F227-V281 WeakPolarHBondContact O-CA 3.49Å; Y249-V281 HydrophobicContact CD1-CG2 4.08Å; Y249-V281 HydrophobicContact CD2-CG1 4.03Å; Y249-V281 HydrophobicContact CE2-CG1 4.4Å; Y249-V281 HydrophobicContact CG-CG1 4.11Å; Y249-V281 HydrophobicContact CG-CG2 4.24Å; L255-V281 HydrophobicContact CD1-CG2 4.15Å; K256-V281 PolarHBondContact O-N 3.25Å; V257-V281 WeakPolarHBondContact CA-O 3.5Å; V257-V281 HydrophobicContact CG2-CB 4.35Å; I258-V281 PolarHBondContact N-O 2.92Å; V281-L283 HydrophobicContact CG1-CD2 3.56Å; V281-L283 HydrophobicContact CG1-CG 4Å
282	C	98.9	Very high	97.9	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.007	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	100.1	176.3	-173.6	0	0	0	0	109.8	V226 F227 R228 G229 I258 E284	V226-C282 HydrophobicContact CG1-CB 4.37Å; F227-C282 PolarHBondContact O-N 3.01Å; R228-C282 WeakPolarHBondContact CA-O 3.46Å; R228-C282 HydrophobicContact CB-CB 3.97Å; G229-C282 PolarHBondContact N-O 2.84Å; I258-C282 HydrophobicContact CD1-CB 3.89Å; I258-C282 HydrophobicContact CG1-CB 3.88Å; C282-E284 PolarHBondContact O-N 2.97Å
283	L	98.9	Very high	97.9	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	95.1	-179.2	-59	179.4	0	0	0	109.2	I196 N231 Y249 V257 I258 V259 P260 V281	I196-L283 HydrophobicContact CD1-CD2 4.25Å; I196-L283 HydrophobicContact CG1-CD2 3.9Å; I196-L283 HydrophobicContact CG2-CD2 4Å; N231-L283 HydrophobicContact CB-CB 3.81Å; N231-L283 HydrophobicContact CB-CD2 4.06Å; N231-L283 HydrophobicContact CB-CG 4.45Å; Y249-L283 HydrophobicContact CD2-CD2 4.08Å; Y249-L283 HydrophobicContact CE2-CD2 4.38Å; V257-L283 HydrophobicContact CG1-CD1 3.71Å; V257-L283 HydrophobicContact CG1-CG 4.16Å; I258-L283 PolarHBondContact O-N 2.91Å; V259-L283 WeakPolarHBondContact CA-O 3.43Å; V259-L283 HydrophobicContact CG1-CB 4.15Å; V259-L283 WeakPolarHBondContact CG1-O 3.33Å; V259-L283 HydrophobicContact CG2-CB 4.14Å; V259-L283 HydrophobicContact CG2-CD1 4.18Å; P260-L283 WeakPolarHBondContact CD-O 3.49Å; V281-L283 HydrophobicContact CG1-CD2 3.56Å; V281-L283 HydrophobicContact CG1-CG 4Å
284	E	98.8	Very high	97.7	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.009	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	-174.2	-179.2	-59.4	172.4	-165.1	0	0	110.6	L122 R228 G229 N231 P260 C282 Y289	L122-E284 HydrophobicContact CD1-CG 4.32Å; L122-E284 WeakPolarHBondContact CD1-OE2 3.38Å; L122-E284 HydrophobicContact CD2-CG 4.36Å; R228-E284 IonicContact CZ-OE1 2.73Å; R228-E284 IonicContact CZ-OE2 2.6Å; R228-E284 IonicContact NE-OE1 2.94Å; R228-E284 PolarHBondContact NE-OE1 2.8Å; R228-E284 IonicContact NE-OE2 2.7Å; R228-E284 IonicContact NH2-OE1 2.85Å; R228-E284 PolarHBondContact NH2-OE1 2.93Å; R228-E284 IonicContact NH2-OE2 3.64Å; R228-E284 PolarHBondContact NH2-OE2 3.11Å; G229-E284 WeakPolarHBondContact O-CB 3.46Å; G229-E284 PolarHBondContact O-N 3.38Å; N231-E284 WeakPolarHBondContact CA-O 3.4Å; N231-E284 WeakPolarHBondContact CB-O 3.49Å; N231-E284 PolarHBondContact N-O 3.42Å; P260-E284 HydrophobicContact CG-CG 4.39Å; C282-E284 PolarHBondContact O-N 2.97Å; E284-Y289 HydrophobicContact CB-CE1 4.04Å; E284-Y289 VanDerWaalsContact OE2-CE1 3.29Å; E284-Y289 WeakPolarHBondContact OE2-CE1 3.29Å; E284-Y289 PolarHBondContact OE2-OH 3.41Å
285	N	98.3	Very high	97.7	Very high	5 Å²	5	32.2 Å²	32.2	3%	0.027	18%	0.18	C	C	.	.			trans	-141.8	125.8	176.1	-172.4	-95.1	0	0	0	110.5	N231 V287 L288 Y289 S326	N231-N285 PolarHBondContact O-ND2 2.86Å; N231-N285 VanDerWaalsContact O-ND2 3.15Å; N285-V287 VanDerWaalsContact C-N 3.32Å; N285-V287 PolarHBondContact O-N 2.73Å; N285-V287 WeakPolarHBondContact OD1-CB 3.19Å; N285-V287 PolarHBondContact OD1-N 2.83Å; N285-L288 HydrophobicContact CB-CB 4.22Å; N285-L288 HydrophobicContact CB-CD1 3.9Å; N285-L288 HydrophobicContact CB-CG 4.02Å; N285-L288 PolarHBondContact O-N 3.45Å; N285-L288 VanDerWaalsContact O-N 3.1Å; N285-L288 PolarHBondContact OD1-N 3.09Å; N285-Y289 PolarHBondContact O-N 2.87Å; N285-S326 WeakPolarHBondContact CB-OG 3.45Å
286	E	97.4	Very high	97.5	Very high	49 Å²	49	31.1 Å²	31.1	23%	0.229	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-57.3	-45.6	-176.7	-174.8	-170.9	138.6	0	0	112.1	Y150 P230 A234 L288 Y289	Y150-E286 HydrophobicContact CD1-CG 3.87Å; Y150-E286 HydrophobicContact CE1-CG 3.51Å; Y150-E286 WeakPolarHBondContact CE1-OE2 3.44Å; Y150-E286 PolarHBondContact OH-OE2 3.47Å; P230-E286 HydrophobicContact CB-CB 3.99Å; A234-E286 HydrophobicContact CB-CB 4.44Å; A234-E286 VanDerWaalsContact CB-OE2 3.29Å; A234-E286 WeakPolarHBondContact CB-OE2 3.45Å; E286-L288 PolarHBondContact O-N 3.21Å; E286-L288 VanDerWaalsContact O-N 3.17Å; E286-Y289 HydrophobicContact CB-CD2 4.45Å; E286-Y289 HydrophobicContact CB-CE2 4.37Å; E286-Y289 HydrophobicContact CG-CD2 4.32Å; E286-Y289 HydrophobicContact CG-CE2 4.46Å; E286-Y289 WeakPolarHBondContact O-CB 2.98Å; E286-Y289 WeakPolarHBondContact O-CD2 3.4Å; E286-Y289 PolarHBondContact O-N 3.48Å
287	V	95.8	Very high	97.3	Very high	46 Å²	46	37.1 Å²	37.1	28%	0.279	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-65.5	-23.1	-177.4	-173.8	0	0	0	0	111.9	N285	N285-V287 VanDerWaalsContact C-N 3.32Å; N285-V287 PolarHBondContact O-N 2.73Å; N285-V287 WeakPolarHBondContact OD1-CB 3.19Å; N285-V287 PolarHBondContact OD1-N 2.83Å
288	L	97.7	Very high	97.3	Very high	7 Å²	7	40 Å²	40	4%	0.037	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-81.6	-19.1	176.9	-69.2	179.5	0	0	0	113.2	V118 F261 N285 E286 G290 V291 R327	V118-L288 VanDerWaalsContact CB-O 3.28Å; V118-L288 WeakPolarHBondContact CB-O 3.28Å; V118-L288 HydrophobicContact CG2-CB 4.31Å; V118-L288 VanDerWaalsContact CG2-O 3.28Å; V118-L288 WeakPolarHBondContact CG2-O 3.3Å; F261-L288 HydrophobicContact CD2-CD1 4.2Å; F261-L288 HydrophobicContact CD2-CD2 4.36Å; F261-L288 HydrophobicContact CE2-CD2 4.4Å; F261-L288 WeakPolarHBondContact O-CD1 3.21Å; N285-L288 HydrophobicContact CB-CB 4.22Å; N285-L288 HydrophobicContact CB-CD1 3.9Å; N285-L288 HydrophobicContact CB-CG 4.02Å; N285-L288 PolarHBondContact O-N 3.45Å; N285-L288 VanDerWaalsContact O-N 3.1Å; N285-L288 PolarHBondContact OD1-N 3.09Å; E286-L288 PolarHBondContact O-N 3.21Å; E286-L288 VanDerWaalsContact O-N 3.17Å; L288-G290 PolarHBondContact O-N 2.56Å; L288-V291 HydrophobicContact CD2-CG2 4.35Å; L288-V291 WeakPolarHBondContact O-CB 3.42Å; L288-V291 PolarHBondContact O-N 3.25Å; L288-R327 HydrophobicContact CD1-CB 4.23Å; L288-R327 HydrophobicContact CD2-CB 4.35Å; L288-R327 HydrophobicContact CD2-CG 4.34Å; L288-R327 HydrophobicContact CG-CB 4.17Å
289	Y	98	Very high	97.3	Very high	4 Å²	4	38.4 Å²	38.4	2%	0.016	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-45.6	-172	-72.8	-29.3	0	0	0	113.8	T117 V118 R119 L122 Y150 V152 P230 E284 N285 E286 V291	T117-Y289 WeakPolarHBondContact CB-O 3.5Å; V118-Y289 HydrophobicContact CG1-CD1 4.49Å; V118-Y289 PolarHBondContact N-O 2.86Å; R119-Y289 VanDerWaalsContact CB-O 3.32Å; R119-Y289 WeakPolarHBondContact CB-O 3.31Å; R119-Y289 PolarHBondContact N-O 3.5Å; L122-Y289 HydrophobicContact CD1-CD1 4.05Å; L122-Y289 HydrophobicContact CD1-CE1 3.7Å; Y150-Y289 HydrophobicContact CD1-CD2 4.38Å; Y150-Y289 HydrophobicContact CD1-CE2 4.3Å; Y150-Y289 HydrophobicContact CD2-CE2 4.21Å; Y150-Y289 HydrophobicContact CG-CD2 4.16Å; Y150-Y289 AromaticContact CG-CE2 3.79Å; Y150-Y289 HydrophobicContact CG-CE2 3.79Å; V152-Y289 HydrophobicContact CG2-CD1 4.23Å; V152-Y289 HydrophobicContact CG2-CD2 4.44Å; V152-Y289 HydrophobicContact CG2-CE1 3.98Å; V152-Y289 HydrophobicContact CG2-CE2 4.19Å; V152-Y289 HydrophobicContact CG2-CG 4.47Å; P230-Y289 HydrophobicContact CB-CE2 4.15Å; P230-Y289 WeakPolarHBondContact CB-OH 3.31Å; P230-Y289 VanDerWaalsContact CD-OH 3.32Å; P230-Y289 WeakPolarHBondContact CD-OH 3.27Å; P230-Y289 HydrophobicContact CG-CE2 4.43Å; E284-Y289 HydrophobicContact CB-CE1 4.04Å; E284-Y289 VanDerWaalsContact OE2-CE1 3.29Å; E284-Y289 WeakPolarHBondContact OE2-CE1 3.29Å; E284-Y289 PolarHBondContact OE2-OH 3.41Å; N285-Y289 PolarHBondContact O-N 2.87Å; E286-Y289 HydrophobicContact CB-CD2 4.45Å; E286-Y289 HydrophobicContact CB-CE2 4.37Å; E286-Y289 HydrophobicContact CG-CD2 4.32Å; E286-Y289 HydrophobicContact CG-CE2 4.46Å; E286-Y289 WeakPolarHBondContact O-CB 2.98Å; E286-Y289 WeakPolarHBondContact O-CD2 3.4Å; E286-Y289 PolarHBondContact O-N 3.48Å; Y289-V291 VanDerWaalsContact C-N 3.31Å; Y289-V291 PolarHBondContact O-N 2.91Å
290	G	94.8	Very high	97.1	Very high	43 Å²	43	41.6 Å²	41.6	44%	0.443	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-7.4	179	0	0	0	0	0	114.7	L288 K292	L288-G290 PolarHBondContact O-N 2.56Å; G290-K292 PolarHBondContact O-N 3.35Å
291	V	96.6	Very high	97	Very high	56 Å²	56	48.1 Å²	48.1	34%	0.339	25%	0.254	S	S	.	.			trans	-77.5	124	-174.9	-176	0	0	0	0	110.1	T117 V118 L288 Y289 F293	T117-V291 VanDerWaalsContact CA-O 3.3Å; T117-V291 WeakPolarHBondContact CA-O 3.41Å; V118-V291 PolarHBondContact N-O 2.65Å; V118-V291 VanDerWaalsContact N-O 3.14Å; L288-V291 HydrophobicContact CD2-CG2 4.35Å; L288-V291 WeakPolarHBondContact O-CB 3.42Å; L288-V291 PolarHBondContact O-N 3.25Å; Y289-V291 VanDerWaalsContact C-N 3.31Å; Y289-V291 PolarHBondContact O-N 2.91Å; V291-F293 HydrophobicContact CB-CE2 3.87Å; V291-F293 HydrophobicContact CG1-CD2 4.08Å; V291-F293 HydrophobicContact CG1-CE2 3.46Å; V291-F293 VanDerWaalsContact CG1-CE2 3.46Å; V291-F293 HydrophobicContact CG1-CZ 3.76Å
292	K	97.3	Very high	96.8	Very high	139 Å²	139	53.4 Å²	53.4	60%	0.604	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.1	126.8	176.1	-68.6	179.4	-179.3	171.4	0	110.9	L116 T117 G290	L116-K292 WeakPolarHBondContact O-CA 3.48Å; T117-K292 HydrophobicContact CG2-CD 4.36Å; T117-K292 HydrophobicContact CG2-CG 3.56Å; G290-K292 PolarHBondContact O-N 3.35Å
293	F	97.5	Very high	96.7	Very high	25 Å²	25	57.6 Å²	57.6	11%	0.11	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	148.7	171.7	-68.3	-91.7	0	0	0	111	S115 L116 V118 F261 V291	S115-F293 VanDerWaalsContact CA-O 3.25Å; S115-F293 WeakPolarHBondContact CA-O 3.35Å; S115-F293 WeakPolarHBondContact CB-O 3.32Å; L116-F293 PolarHBondContact N-O 3.11Å; L116-F293 VanDerWaalsContact N-O 3.11Å; L116-F293 PolarHBondContact O-N 3.33Å; V118-F293 HydrophobicContact CG2-CD2 3.78Å; V118-F293 HydrophobicContact CG2-CE2 3.62Å; F261-F293 HydrophobicContact CD2-CZ 4.38Å; F261-F293 HydrophobicContact CE1-CE1 4.08Å; F261-F293 HydrophobicContact CE1-CZ 4.47Å; F261-F293 HydrophobicContact CE2-CE1 4.11Å; F261-F293 AromaticContact CE2-CZ 3.77Å; F261-F293 HydrophobicContact CE2-CZ 3.77Å; F261-F293 AromaticContact CZ-CE1 3.68Å; F261-F293 HydrophobicContact CZ-CE1 3.68Å; F261-F293 AromaticContact CZ-CZ 3.85Å; F261-F293 HydrophobicContact CZ-CZ 3.85Å; V291-F293 HydrophobicContact CB-CE2 3.87Å; V291-F293 HydrophobicContact CG1-CD2 4.08Å; V291-F293 HydrophobicContact CG1-CE2 3.46Å; V291-F293 VanDerWaalsContact CG1-CE2 3.46Å; V291-F293 HydrophobicContact CG1-CZ 3.76Å
294	P	96.4	Very high	96.6	Very high	94 Å²	94	58.5 Å²	58.5	61%	0.61	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.1	142.2	167.3	28.6	-34	0	0	0	110.2
295	M	97	Very high	96.6	Very high	5 Å²	5	61.5 Å²	61.5	3%	0.025	33%	0.325	C	S	.	.			trans	-115.7	130.1	177.2	-64.2	-64.4	-72	0	0	109.5	A114 L116 S263 E264 K267 A299 M300	A114-M295 PolarHBondContact O-N 3.26Å; L116-M295 HydrophobicContact CB-CG 3.98Å; L116-M295 HydrophobicContact CD1-CE 4.21Å; L116-M295 HydrophobicContact CD1-CG 4.1Å; L116-M295 HydrophobicContact CG-CG 3.95Å; S263-M295 WeakPolarHBondContact CB-SD 3.33Å; E264-M295 HydrophobicContact CG-CE 4.09Å; E264-M295 HydrophobicContact CG-SD 3.7Å; K267-M295 HydrophobicContact CD-CE 4.3Å; M295-A299 HydrophobicContact CE-CB 3.62Å; M295-M300 HydrophobicContact CB-CG 4.03Å; M295-M300 HydrophobicContact CB-SD 3.7Å; M295-M300 HydrophobicContact CG-SD 4.09Å
296	S	94.8	Very high	96.6	Very high	48 Å²	48	61.6 Å²	61.6	34%	0.336	33%	0.325	S	S	.	.			trans	-68.4	156.8	170.1	59.6	0	0	0	0	112	E264 E298 A299 M300	E264-S296 VanDerWaalsContact OE1-CB 3.28Å; E264-S296 WeakPolarHBondContact OE1-CB 3.44Å; E264-S296 PolarHBondContact OE1-N 2.99Å; E264-S296 PolarHBondContact OE1-OG 3.36Å; S296-E298 PolarHBondContact O-N 3.41Å; S296-A299 PolarHBondContact O-N 2.71Å; S296-A299 VanDerWaalsContact OG-CB 3.28Å; S296-A299 WeakPolarHBondContact OG-CB 3.44Å; S296-A299 PolarHBondContact OG-N 3.11Å; S296-A299 VanDerWaalsContact OG-N 3.13Å; S296-M300 WeakPolarHBondContact O-CG 3.42Å; S296-M300 PolarHBondContact O-N 3.02Å
297	D	95.3	Very high	96.7	Very high	146 Å²	146	63 Å²	63	78%	0.781	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-31.9	173	-74.2	-17.7	0	0	0	111.8
298	E	95.8	Very high	96.8	Very high	131 Å²	131	62.4 Å²	62.4	61%	0.612	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-48.6	174	-173.8	178.9	172.4	0	0	111.3	S296 M300 R301 F304	S296-E298 PolarHBondContact O-N 3.41Å; E298-M300 PolarHBondContact O-N 3.31Å; E298-R301 WeakPolarHBondContact O-CB 3.45Å; E298-R301 PolarHBondContact O-N 3.31Å; E298-R301 VanDerWaalsContact O-N 3.09Å; E298-F304 HydrophobicContact CG-CD2 4.08Å; E298-F304 HydrophobicContact CG-CE2 4.45Å
299	A	96.7	Very high	96.8	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-21.1	-180	0	0	0	0	0	113.8	E264 K267 M295 S296 R301 F304	E264-A299 HydrophobicContact CB-CB 4.42Å; E264-A299 HydrophobicContact CG-CB 3.7Å; E264-A299 WeakPolarHBondContact OE1-CB 3.49Å; K267-A299 WeakPolarHBondContact CD-O 3.26Å; K267-A299 WeakPolarHBondContact CE-O 3.47Å; K267-A299 PolarHBondContact NZ-O 2.78Å; M295-A299 HydrophobicContact CE-CB 3.62Å; S296-A299 PolarHBondContact O-N 2.71Å; S296-A299 VanDerWaalsContact OG-CB 3.28Å; S296-A299 WeakPolarHBondContact OG-CB 3.44Å; S296-A299 PolarHBondContact OG-N 3.11Å; S296-A299 VanDerWaalsContact OG-N 3.13Å; A299-R301 VanDerWaalsContact C-N 3.32Å; A299-F304 HydrophobicContact CB-CD1 4.02Å; A299-F304 HydrophobicContact CB-CD2 4.38Å; A299-F304 HydrophobicContact CB-CE1 3.73Å; A299-F304 HydrophobicContact CB-CE2 4.13Å; A299-F304 HydrophobicContact CB-CG 4.33Å; A299-F304 HydrophobicContact CB-CZ 3.79Å
300	M	95.9	Very high	96.8	Very high	72 Å²	72	67.5 Å²	67.5	36%	0.355	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-15.1	174.9	-69.8	-60.6	-67.6	0	0	113.9	A114 L116 K267 M295 S296 E298	A114-M300 HydrophobicContact CB-CE 4.1Å; A114-M300 HydrophobicContact CB-CG 4.21Å; A114-M300 HydrophobicContact CB-SD 4.02Å; L116-M300 HydrophobicContact CD1-SD 4Å; L116-M300 HydrophobicContact CG-SD 4.41Å; K267-M300 PolarHBondContact NZ-O 3.02Å; M295-M300 HydrophobicContact CB-CG 4.03Å; M295-M300 HydrophobicContact CB-SD 3.7Å; M295-M300 HydrophobicContact CG-SD 4.09Å; S296-M300 WeakPolarHBondContact O-CG 3.42Å; S296-M300 PolarHBondContact O-N 3.02Å; E298-M300 PolarHBondContact O-N 3.31Å
301	R	96.4	Very high	97	Very high	136 Å²	136	66.1 Å²	66.1	51%	0.513	34%	0.342	S	S	.	.	S	Bend	trans	-79.2	148.5	-177.5	-63.5	164.3	55.5	157.3	-1.9	113	E298 A299 D303 F304	E298-R301 WeakPolarHBondContact O-CB 3.45Å; E298-R301 PolarHBondContact O-N 3.31Å; E298-R301 VanDerWaalsContact O-N 3.09Å; A299-R301 VanDerWaalsContact C-N 3.32Å; R301-D303 WeakPolarHBondContact CB-OD1 3.39Å; R301-D303 IonicContact CZ-OD1 3.56Å; R301-D303 IonicContact CZ-OD2 2.75Å; R301-D303 IonicContact NE-OD1 3.24Å; R301-D303 PolarHBondContact NE-OD1 3.44Å; R301-D303 IonicContact NE-OD2 2.72Å; R301-D303 IonicContact NH2-OD1 3.46Å; R301-D303 PolarHBondContact NH2-OD1 3.36Å; R301-D303 IonicContact NH2-OD2 2.81Å; R301-D303 PolarHBondContact NH2-OD2 3.16Å; R301-D303 PolarHBondContact O-N 2.91Å; R301-F304 VanDerWaalsContact O-CB 3.22Å; R301-F304 WeakPolarHBondContact O-CB 3.39Å; R301-F304 PolarHBondContact O-N 2.93Å; R301-F304 VanDerWaalsContact O-N 3.1Å
302	D	94.4	Very high	97.1	Very high	112 Å²	112	66.3 Å²	66.3	60%	0.599	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-18.8	177.6	-53.5	3.1	0	0	0	113.8	E128 K271 R275	E128-D302 HydrophobicContact CG-CB 4.45Å; K271-D302 WeakPolarHBondContact CE-O 3.44Å; K271-D302 PolarHBondContact NZ-O 3.48Å; R275-D302 PolarHBondContact NH2-O 2.98Å
303	D	96.4	Very high	97.2	Very high	89 Å²	89	62.7 Å²	62.7	48%	0.476	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	3.2	177.1	67.1	-21.9	0	0	0	113.9	R301 L305	R301-D303 WeakPolarHBondContact CB-OD1 3.39Å; R301-D303 IonicContact CZ-OD1 3.56Å; R301-D303 IonicContact CZ-OD2 2.75Å; R301-D303 IonicContact NE-OD1 3.24Å; R301-D303 PolarHBondContact NE-OD1 3.44Å; R301-D303 IonicContact NE-OD2 2.72Å; R301-D303 IonicContact NH2-OD1 3.46Å; R301-D303 PolarHBondContact NH2-OD1 3.36Å; R301-D303 IonicContact NH2-OD2 2.81Å; R301-D303 PolarHBondContact NH2-OD2 3.16Å; R301-D303 PolarHBondContact O-N 2.91Å; D303-L305 PolarHBondContact O-N 2.96Å
304	F	98.3	Very high	97.2	Very high	19 Å²	19	63.8 Å²	63.8	8%	0.083	33%	0.333	C	S	.	.			trans	-62.9	128.5	176.7	-179.8	-119.7	0	0	0	112	E264 K267 K271 E298 A299 R301 I306	E264-F304 HydrophobicContact CB-CE1 4.46Å; E264-F304 HydrophobicContact CB-CZ 4.42Å; E264-F304 WeakPolarHBondContact O-CE1 3.23Å; K267-F304 HydrophobicContact CG-CD1 4.36Å; K271-F304 WeakPolarHBondContact CD-O 3.48Å; K271-F304 WeakPolarHBondContact CE-O 3.37Å; E298-F304 HydrophobicContact CG-CD2 4.08Å; E298-F304 HydrophobicContact CG-CE2 4.45Å; A299-F304 HydrophobicContact CB-CD1 4.02Å; A299-F304 HydrophobicContact CB-CD2 4.38Å; A299-F304 HydrophobicContact CB-CE1 3.73Å; A299-F304 HydrophobicContact CB-CE2 4.13Å; A299-F304 HydrophobicContact CB-CG 4.33Å; A299-F304 HydrophobicContact CB-CZ 3.79Å; R301-F304 VanDerWaalsContact O-CB 3.22Å; R301-F304 WeakPolarHBondContact O-CB 3.39Å; R301-F304 PolarHBondContact O-N 2.93Å; R301-F304 VanDerWaalsContact O-N 3.1Å; F304-I306 HydrophobicContact CE1-CD1 4.11Å; F304-I306 HydrophobicContact CE1-CG1 4.19Å; F304-I306 HydrophobicContact CE2-CG1 4.39Å; F304-I306 HydrophobicContact CZ-CD1 3.87Å; F304-I306 HydrophobicContact CZ-CG1 3.77Å
305	L	98.6	Very high	97.3	Very high	66 Å²	66	62.1 Å²	62.1	35%	0.346	31%	0.314	S	S	.	.			trans	-141.6	145.7	178.4	-65.9	179	0	0	0	109.6	K271 D303	K271-L305 HydrophobicContact CB-CD2 3.53Å; D303-L305 PolarHBondContact O-N 2.96Å
306	I	98.5	Very high	97.4	Very high	6 Å²	6	65.4 Å²	65.4	3%	0.031	34%	0.343	C	S	.	.			trans	-113.1	119.5	169.9	-66.4	167.8	0	0	0	108.2	E264 G268 L269 T272 F304	E264-I306 VanDerWaalsContact O-CD1 3.26Å; E264-I306 WeakPolarHBondContact O-CD1 3.45Å; G268-I306 PolarHBondContact O-N 3.34Å; L269-I306 HydrophobicContact CD2-CB 3.93Å; L269-I306 HydrophobicContact CD2-CG2 3.59Å; L269-I306 HydrophobicContact CG-CB 4.21Å; L269-I306 HydrophobicContact CG-CG2 4.18Å; T272-I306 WeakPolarHBondContact CB-O 3.45Å; T272-I306 PolarHBondContact OG1-N 3.4Å; T272-I306 PolarHBondContact OG1-O 2.85Å; F304-I306 HydrophobicContact CE1-CD1 4.11Å; F304-I306 HydrophobicContact CE1-CG1 4.19Å; F304-I306 HydrophobicContact CE2-CG1 4.39Å; F304-I306 HydrophobicContact CZ-CD1 3.87Å; F304-I306 HydrophobicContact CZ-CG1 3.77Å
307	P	98.2	Very high	97.6	Very high	80 Å²	80	63.6 Å²	63.6	52%	0.519	33%	0.332	S	S	.	.			trans	-64	139.9	178.8	27.3	-34.7	0	0	0	111.3	K310	P307-K310 HydrophobicContact CB-CG 4.39Å; P307-K310 HydrophobicContact CG-CB 4.27Å; P307-K310 HydrophobicContact CG-CG 3.89Å
308	F	98.5	Very high	97.8	Very high	33 Å²	33	61.2 Å²	61.2	15%	0.145	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	154.3	171.1	-59.2	-30.6	0	0	0	112	K256 I258 L269 T272 A273 D276 V280 K310 T353	K256-F308 HydrophobicContact CD-CD2 3.79Å; K256-F308 HydrophobicContact CD-CE2 3.94Å; I258-F308 HydrophobicContact CD1-CE1 4.27Å; I258-F308 HydrophobicContact CG2-CD1 3.54Å; I258-F308 HydrophobicContact CG2-CE1 3.43Å; I258-F308 VanDerWaalsContact CG2-CE1 3.43Å; I258-F308 HydrophobicContact CG2-CG 4.42Å; I258-F308 HydrophobicContact CG2-CZ 4.19Å; L269-F308 HydrophobicContact CD2-CD1 4.13Å; L269-F308 HydrophobicContact CD2-CE1 4.36Å; T272-F308 HydrophobicContact CG2-CD1 4.02Å; T272-F308 HydrophobicContact CG2-CD2 4.22Å; T272-F308 HydrophobicContact CG2-CE1 3.72Å; T272-F308 HydrophobicContact CG2-CE2 3.99Å; T272-F308 HydrophobicContact CG2-CG 4.28Å; T272-F308 HydrophobicContact CG2-CZ 3.75Å; A273-F308 HydrophobicContact CB-CZ 3.91Å; D276-F308 HydrophobicContact CB-CE2 4.2Å; V280-F308 HydrophobicContact CG1-CE2 4.38Å; V280-F308 HydrophobicContact CG1-CZ 3.95Å; V280-F308 HydrophobicContact CG2-CE2 4.02Å; V280-F308 HydrophobicContact CG2-CZ 4.22Å; F308-K310 VanDerWaalsContact C-N 3.26Å; F308-K310 PolarHBondContact O-N 2.86Å; F308-T353 HydrophobicContact CB-CG2 4.26Å
309	G	97.9	Very high	97.9	Very high	11 Å²	11	57.7 Å²	57.7	11%	0.113	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.9	29.3	-179.2	0	0	0	0	0	112.8	T353 P356 D358	G309-T353 PolarHBondContact N-OG1 3.18Å; G309-T353 VanDerWaalsContact N-OG1 3.14Å; G309-P356 VanDerWaalsContact CA-O 3.31Å; G309-P356 WeakPolarHBondContact CA-O 3.19Å; G309-D358 WeakPolarHBondContact O-CB 3.35Å
310	K	98.3	Very high	98	Very high	106 Å²	106	57.7 Å²	57.7	46%	0.461	30%	0.304	S	S	.	.			trans	-128.5	109.6	171.4	-66.1	-64.2	168	-159.8	0	110.7	P307 F308 R352 D358	P307-K310 HydrophobicContact CB-CG 4.39Å; P307-K310 HydrophobicContact CG-CB 4.27Å; P307-K310 HydrophobicContact CG-CG 3.89Å; F308-K310 VanDerWaalsContact C-N 3.26Å; F308-K310 PolarHBondContact O-N 2.86Å; K310-R352 WeakPolarHBondContact O-CD 3.39Å; K310-D358 WeakPolarHBondContact CA-OD2 3.47Å
311	A	98.7	Very high	98.1	Very high	15 Å²	15	54.3 Å²	54.3	12%	0.124	29%	0.287	C	S	.	.			trans	-73.5	161.3	170.4	0	0	0	0	0	110.2	I349 N350 L351 D358 T361	A311-I349 HydrophobicContact CB-CG2 3.78Å; A311-N350 CarbonylContact C-O 3.44Å; A311-N350 VanDerWaalsContact CA-O 3.31Å; A311-N350 WeakPolarHBondContact CA-O 3.4Å; A311-N350 WeakPolarHBondContact CB-O 3.29Å; A311-L351 WeakPolarHBondContact CA-O 3.4Å; A311-D358 HydrophobicContact CB-CB 4Å; A311-D358 PolarHBondContact N-OD2 3.15Å; A311-T361 HydrophobicContact CB-CG2 4.09Å
312	K	98.6	Very high	98.2	Very high	60 Å²	60	47.8 Å²	47.8	26%	0.261	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	128.3	172.9	177.2	172.5	170.4	-143.7	0	109.5	E314 N350	K312-E314 WeakPolarHBondContact CD-OE1 3.24Å; K312-E314 WeakPolarHBondContact CE-OE2 3.37Å; K312-E314 IonicContact NZ-OE1 2.62Å; K312-E314 PolarHBondContact NZ-OE1 2.97Å; K312-E314 IonicContact NZ-OE2 3.89Å; K312-E314 PolarHBondContact NZ-OE2 3.08Å; K312-E314 PolarHBondContact O-N 2.92Å; K312-N350 PolarHBondContact N-O 3.42Å; K312-N350 PolarHBondContact O-N 2.65Å
313	V	98.8	Very high	98.5	Very high	63 Å²	63	42.5 Å²	42.5	38%	0.382	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	102.3	165.6	-178.7	0	0	0	0	107.2	R315 E347 V348 I349 T361	V313-R315 WeakPolarHBondContact CG1-O 3.46Å; V313-E347 HydrophobicContact CG1-CG 3.9Å; V313-V348 CarbonylContact C-O 3.19Å; V313-V348 WeakPolarHBondContact CA-O 2.99Å; V313-I349 HydrophobicContact CG2-CG1 4.41Å; V313-T361 HydrophobicContact CG2-CG2 4.16Å
314	E	98.6	Very high	98.6	Very high	48 Å²	48	38.2 Å²	38.2	22%	0.224	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	-30.8	-179.7	-62.6	-66.2	173.8	0	0	111.6	K312 V329 L333 V348 N350	K312-E314 WeakPolarHBondContact CD-OE1 3.24Å; K312-E314 WeakPolarHBondContact CE-OE2 3.37Å; K312-E314 IonicContact NZ-OE1 2.62Å; K312-E314 PolarHBondContact NZ-OE1 2.97Å; K312-E314 IonicContact NZ-OE2 3.89Å; K312-E314 PolarHBondContact NZ-OE2 3.08Å; K312-E314 PolarHBondContact O-N 2.92Å; E314-V329 HydrophobicContact CG-CG1 3.99Å; E314-L333 HydrophobicContact CB-CD2 3.98Å; E314-V348 PolarHBondContact N-O 3.07Å; E314-N350 HydrophobicContact CG-CB 3.6Å; E314-N350 WeakPolarHBondContact OE1-CB 3.45Å; E314-N350 PolarHBondContact OE1-ND2 3.01Å
315	R	98.7	Very high	98.6	Very high	58 Å²	58	37.6 Å²	37.6	22%	0.219	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	126.2	177.8	-173.6	-170.9	-172.3	-80	-0.9	109.4	V313 L333 E340 S345 A346 E347 V348	V313-R315 WeakPolarHBondContact CG1-O 3.46Å; R315-L333 HydrophobicContact CB-CD2 3.95Å; R315-E340 IonicContact CZ-OE2 2.92Å; R315-E340 IonicContact NH1-OE2 3.77Å; R315-E340 IonicContact NH2-OE2 3.79Å; R315-E340 PolarHBondContact NH2-OE2 3.27Å; R315-S345 PolarHBondContact NH1-OG 3.22Å; R315-A346 PolarHBondContact NH1-O 3.05Å; R315-E347 CarbonylContact O-C 3.57Å; R315-E347 VanDerWaalsContact O-CA 3.27Å; R315-E347 WeakPolarHBondContact O-CA 3.44Å; R315-V348 HydrophobicContact CB-CB 4.06Å; R315-V348 HydrophobicContact CB-CG2 4.12Å; R315-V348 PolarHBondContact N-O 3.03Å; R315-V348 PolarHBondContact O-N 2.95Å
316	A	98.6	Very high	98.6	Very high	75 Å²	75	34.7 Å²	34.7	62%	0.62	19%	0.194	S	C	*	.			trans	-72.7	148.5	172.3	0	0	0	0	0	111.3	E347	A316-E347 WeakPolarHBondContact CA-OE2 3.48Å
317	G	98.6	Very high	98.5	Very high	10 Å²	10	37.7 Å²	37.7	10%	0.103	21%	0.205	C	C	.	.			trans	-162.5	175.9	175.6	0	0	0	0	0	112.3	E347 K368	G317-E347 PolarHBondContact N-OE2 3.31Å; G317-K368 VanDerWaalsContact O-CE 3.26Å; G317-K368 WeakPolarHBondContact O-CE 3.46Å
318	N	98.4	Very high	98.5	Very high	96 Å²	96	34 Å²	34	51%	0.513	18%	0.181	S	C	.	.	S	Bend	trans	-142.5	-0.3	-173.2	66	4.8	0	0	0	115.1	S345	N318-S345 PolarHBondContact N-O 3.01Å; N318-S345 WeakPolarHBondContact OD1-CB 3.41Å
319	N	98.6	Very high	98.5	Very high	57 Å²	57	32.4 Å²	32.4	31%	0.305	17%	0.174	S	C	.	.	S	Bend	trans	-106.6	-33	179.2	-60.3	130	0	0	0	113.5	V344 S345 L440	N319-V344 HydrophobicContact CB-CG1 4.08Å; N319-S345 PolarHBondContact N-O 2.87Å; N319-S345 PolarHBondContact OD1-N 3.04Å; N319-L440 HydrophobicContact CB-CD1 4.47Å; N319-L440 WeakPolarHBondContact O-CD2 3.47Å
320	V	98.8	Very high	98.5	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	142.7	179.8	60.9	0	0	0	0	110.2	L322 V344 A346 E347 H371 V373 V436	V320-L322 HydrophobicContact CG2-CD2 4.46Å; V320-V344 HydrophobicContact CG1-CG1 4.34Å; V320-A346 HydrophobicContact CG1-CB 3.72Å; V320-A346 CarbonylContact O-C 3.58Å; V320-A346 WeakPolarHBondContact O-CA 3.48Å; V320-E347 PolarHBondContact O-N 2.91Å; V320-H371 HydrophobicContact CB-CB 4.13Å; V320-H371 HydrophobicContact CG2-CB 3.91Å; V320-V373 HydrophobicContact CG2-CG2 4.19Å; V320-V436 HydrophobicContact CG1-CG1 3.85Å; V320-V436 HydrophobicContact CG1-CG2 4.37Å
321	T	98.9	Very high	98.5	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	120.6	170.8	-58.2	0	0	0	0	110.2	V323 I349 S365 T369 H371 M372 V373	T321-V323 HydrophobicContact CG2-CG2 3.68Å; T321-I349 HydrophobicContact CG2-CD1 3.62Å; T321-I349 HydrophobicContact CG2-CG1 4.21Å; T321-S365 WeakPolarHBondContact CB-OG 3.39Å; T321-S365 WeakPolarHBondContact CG2-OG 3.36Å; T321-S365 PolarHBondContact OG1-O 3.34Å; T321-S365 PolarHBondContact OG1-OG 3.32Å; T321-T369 PolarHBondContact N-OG1 3.34Å; T321-T369 WeakPolarHBondContact OG1-CG2 3.19Å; T321-T369 PolarHBondContact OG1-OG1 2.97Å; T321-H371 WeakPolarHBondContact CB-O 3.25Å; T321-H371 PolarHBondContact N-O 2.83Å; T321-M372 CarbonylContact O-C 3.6Å; T321-M372 VanDerWaalsContact O-CA 3.31Å; T321-M372 WeakPolarHBondContact O-CA 3.24Å; T321-V373 PolarHBondContact O-N 2.92Å
322	L	98.9	Very high	98.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	119.7	168.8	-60.4	-176	0	0	0	108.8	V320 C332 A346 E347 V348 I349 V373 V432 V436	V320-L322 HydrophobicContact CG2-CD2 4.46Å; L322-C332 HydrophobicContact CB-CB 4.32Å; L322-C332 HydrophobicContact CD1-CB 4.11Å; L322-A346 HydrophobicContact CD1-CB 3.96Å; L322-A346 HydrophobicContact CG-CB 4.2Å; L322-E347 PolarHBondContact N-O 3.09Å; L322-V348 HydrophobicContact CB-CG2 4.36Å; L322-V348 HydrophobicContact CD1-CG2 4.27Å; L322-V348 WeakPolarHBondContact O-CA 3.49Å; L322-I349 PolarHBondContact O-N 3.32Å; L322-V373 WeakPolarHBondContact CA-O 3.31Å; L322-V373 HydrophobicContact CD2-CB 3.75Å; L322-V373 HydrophobicContact CD2-CG1 4.37Å; L322-V373 HydrophobicContact CD2-CG2 4.4Å; L322-V432 HydrophobicContact CD1-CG1 4.07Å; L322-V432 HydrophobicContact CD2-CG1 4.26Å; L322-V436 HydrophobicContact CD2-CG2 3.67Å
323	V	98.9	Very high	98.5	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	125.5	178.9	-172.4	0	0	0	0	109.9	T321 I349 L351 I362 M372 V373 T374 V375 L388	T321-V323 HydrophobicContact CG2-CG2 3.68Å; V323-I349 HydrophobicContact CG2-CB 4.37Å; V323-I349 HydrophobicContact CG2-CD1 4.28Å; V323-L351 HydrophobicContact CG1-CD1 4.19Å; V323-L351 HydrophobicContact CG1-CD2 3.41Å; V323-L351 VanDerWaalsContact CG1-CD2 3.41Å; V323-L351 HydrophobicContact CG1-CG 3.81Å; V323-I362 HydrophobicContact CG1-CD1 4.12Å; V323-I362 HydrophobicContact CG1-CG1 4.37Å; V323-I362 HydrophobicContact CG2-CG2 4.24Å; V323-M372 HydrophobicContact CB-CE 4.04Å; V323-M372 HydrophobicContact CG2-CE 3.6Å; V323-M372 HydrophobicContact CG2-CG 4.29Å; V323-M372 HydrophobicContact CG2-SD 4.25Å; V323-V373 PolarHBondContact N-O 2.83Å; V323-T374 CarbonylContact O-C 3.55Å; V323-T374 WeakPolarHBondContact O-CA 3.39Å; V323-V375 PolarHBondContact O-N 2.97Å; V323-L388 HydrophobicContact CB-CD1 4.39Å; V323-L388 HydrophobicContact CG1-CD1 3.86Å
324	S	98.8	Very high	98.5	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	172.3	-171.2	-172.7	0	0	0	0	111.9	M328 V329 C332 I349 N350 L351 V375	S324-M328 WeakPolarHBondContact OG-CB 3.32Å; S324-M328 PolarHBondContact OG-O 3.29Å; S324-M328 VanDerWaalsContact OG-O 3.1Å; S324-V329 PolarHBondContact OG-N 2.9Å; S324-C332 VanDerWaalsContact CB-SG 3.56Å; S324-I349 PolarHBondContact N-O 3.29Å; S324-N350 WeakPolarHBondContact O-CA 3.36Å; S324-L351 WeakPolarHBondContact O-CG 3.48Å; S324-L351 PolarHBondContact O-N 2.58Å; S324-V375 PolarHBondContact OG-O 3.21Å
325	F	98.7	Very high	98.5	Very high	6 Å²	6	27 Å²	27	3%	0.026	15%	0.146	C	C	.	.			trans	-151	165.9	177.9	55.2	-90.7	0	0	0	110.3	S246 V259 M328 L351 L354 E376 V384	S246-F325 WeakPolarHBondContact OG-CE2 3.44Å; V259-F325 HydrophobicContact CB-CB 4.47Å; V259-F325 HydrophobicContact CB-CD2 4.4Å; V259-F325 HydrophobicContact CG1-CD2 3.86Å; F325-M328 PolarHBondContact O-N 3.04Å; F325-L351 HydrophobicContact CB-CB 4.24Å; F325-L351 HydrophobicContact CB-CD1 4.47Å; F325-L351 HydrophobicContact CD1-CD1 3.84Å; F325-L354 HydrophobicContact CD1-CD2 4.07Å; F325-L354 HydrophobicContact CE1-CD2 4.4Å; F325-L354 HydrophobicContact CG-CD2 4.29Å; F325-E376 HydrophobicContact CE1-CB 3.71Å; F325-E376 HydrophobicContact CZ-CB 3.58Å; F325-V384 HydrophobicContact CD1-CG1 4.36Å; F325-V384 HydrophobicContact CE1-CB 3.71Å; F325-V384 HydrophobicContact CE1-CG1 3.73Å; F325-V384 HydrophobicContact CE1-CG2 3.96Å; F325-V384 HydrophobicContact CZ-CB 4.01Å; F325-V384 HydrophobicContact CZ-CG1 4.44Å; F325-V384 HydrophobicContact CZ-CG2 3.81Å
326	S	98.4	Very high	98.5	Very high	4 Å²	4	24.3 Å²	24.3	3%	0.028	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.8	-145.3	-178.8	-160.4	0	0	0	0	112.5	F261 N285 M328 V329	F261-S326 VanDerWaalsContact CD2-O 3.25Å; F261-S326 WeakPolarHBondContact CD2-O 3.14Å; N285-S326 WeakPolarHBondContact CB-OG 3.45Å; S326-M328 PolarHBondContact O-N 3.44Å; S326-V329 WeakPolarHBondContact O-CB 3.44Å; S326-V329 WeakPolarHBondContact O-CG2 3.46Å; S326-V329 PolarHBondContact O-N 2.6Å; S326-V329 VanDerWaalsContact O-N 3.12Å
327	R	96.4	Very high	98.5	Very high	69 Å²	69	23.1 Å²	23.1	26%	0.26	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-30	179.8	-174.5	-177.9	176.8	-142.2	-1.6	114	L288 V329 Q330	L288-R327 HydrophobicContact CD1-CB 4.23Å; L288-R327 HydrophobicContact CD2-CB 4.35Å; L288-R327 HydrophobicContact CD2-CG 4.34Å; L288-R327 HydrophobicContact CG-CB 4.17Å; R327-V329 PolarHBondContact O-N 3.01Å; R327-V329 VanDerWaalsContact O-N 3.16Å; R327-Q330 WeakPolarHBondContact O-CB 3.15Å; R327-Q330 PolarHBondContact O-N 3.45Å; R327-Q330 VanDerWaalsContact O-N 3.09Å
328	M	98.3	Very high	98.5	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.01	14%	0.138	C	C	.	.	H	α-helix	trans	-66.3	-15	179.3	-68.7	-58.7	87.3	0	0	113.5	S324 F325 S326 Q330 V331 C332 V375 N377 P427	S324-M328 WeakPolarHBondContact OG-CB 3.32Å; S324-M328 PolarHBondContact OG-O 3.29Å; S324-M328 VanDerWaalsContact OG-O 3.1Å; F325-M328 PolarHBondContact O-N 3.04Å; S326-M328 PolarHBondContact O-N 3.44Å; M328-Q330 VanDerWaalsContact C-N 3.3Å; M328-V331 HydrophobicContact CE-CB 4.32Å; M328-V331 HydrophobicContact CE-CG2 3.51Å; M328-V331 PolarHBondContact O-N 2.89Å; M328-V331 HydrophobicContact SD-CB 4.38Å; M328-V331 HydrophobicContact SD-CG2 4.16Å; M328-C332 PolarHBondContact O-N 3.24Å; M328-C332 PolarHBondContact O-SG 2.94Å; M328-V375 HydrophobicContact CB-CG1 4.07Å; M328-V375 HydrophobicContact CG-CG1 4.26Å; M328-V375 HydrophobicContact SD-CG1 4.25Å; M328-N377 VanDerWaalsContact CE-ND2 3.3Å; M328-N377 WeakPolarHBondContact CE-ND2 3.38Å; M328-N377 VanDerWaalsContact CE-OD1 3.22Å; M328-N377 WeakPolarHBondContact CE-OD1 3.21Å; M328-N377 HydrophobicContact CG-CB 4.3Å; M328-N377 WeakPolarHBondContact CG-OD1 3.46Å; M328-P427 HydrophobicContact SD-CB 3.8Å; M328-P427 HydrophobicContact SD-CG 3.92Å
329	V	98.7	Very high	98.5	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-63	-40.7	171.7	178.9	0	0	0	0	110.3	F261 E314 S324 S326 R327 V331 C332 L333 V348 N350	F261-V329 HydrophobicContact CB-CB 4.17Å; F261-V329 HydrophobicContact CB-CG2 4.08Å; F261-V329 HydrophobicContact CD1-CB 3.69Å; F261-V329 HydrophobicContact CD1-CG1 3.4Å; F261-V329 VanDerWaalsContact CD1-CG1 3.4Å; F261-V329 HydrophobicContact CD1-CG2 4.33Å; F261-V329 HydrophobicContact CD2-CB 3.83Å; F261-V329 HydrophobicContact CD2-CG1 4.39Å; F261-V329 HydrophobicContact CE1-CB 3.99Å; F261-V329 HydrophobicContact CE1-CG1 3.48Å; F261-V329 VanDerWaalsContact CE1-CG1 3.48Å; F261-V329 HydrophobicContact CE2-CB 4.15Å; F261-V329 HydrophobicContact CE2-CG1 4.48Å; F261-V329 HydrophobicContact CG-CB 3.59Å; F261-V329 HydrophobicContact CG-CG1 3.89Å; F261-V329 HydrophobicContact CG-CG2 4.06Å; F261-V329 HydrophobicContact CZ-CB 4.21Å; F261-V329 HydrophobicContact CZ-CG1 4.04Å; E314-V329 HydrophobicContact CG-CG1 3.99Å; S324-V329 PolarHBondContact OG-N 2.9Å; S326-V329 WeakPolarHBondContact O-CB 3.44Å; S326-V329 WeakPolarHBondContact O-CG2 3.46Å; S326-V329 PolarHBondContact O-N 2.6Å; S326-V329 VanDerWaalsContact O-N 3.12Å; R327-V329 PolarHBondContact O-N 3.01Å; R327-V329 VanDerWaalsContact O-N 3.16Å; V329-V331 PolarHBondContact O-N 2.98Å; V329-C332 WeakPolarHBondContact O-CB 3.48Å; V329-C332 PolarHBondContact O-N 3.02Å; V329-L333 HydrophobicContact CG1-CD1 4.2Å; V329-L333 HydrophobicContact CG1-CG 4.48Å; V329-L333 WeakPolarHBondContact O-CG 3.29Å; V329-L333 PolarHBondContact O-N 3.28Å; V329-V348 HydrophobicContact CG1-CG1 4.42Å; V329-N350 HydrophobicContact CG1-CB 4.09Å; V329-N350 HydrophobicContact CG2-CB 3.97Å
330	Q	98.1	Very high	98.5	Very high	67 Å²	67	23 Å²	23	31%	0.313	12%	0.118	S	C	.	.	H	α-helix	trans	-61.7	-44.7	175.8	-170.7	59.1	54	0	0	111.5	F261 R327 M328 C332 L333 D334	F261-Q330 HydrophobicContact CE2-CB 3.8Å; F261-Q330 HydrophobicContact CZ-CB 4.11Å; R327-Q330 WeakPolarHBondContact O-CB 3.15Å; R327-Q330 PolarHBondContact O-N 3.45Å; R327-Q330 VanDerWaalsContact O-N 3.09Å; M328-Q330 VanDerWaalsContact C-N 3.3Å; Q330-C332 VanDerWaalsContact C-N 3.25Å; Q330-C332 PolarHBondContact O-N 3.33Å; Q330-L333 PolarHBondContact O-N 2.89Å; Q330-L333 VanDerWaalsContact O-N 3.08Å; Q330-D334 PolarHBondContact NE2-OD1 3.17Å; Q330-D334 VanDerWaalsContact O-CG 3.27Å; Q330-D334 PolarHBondContact O-N 2.91Å
331	V	98.3	Very high	98.5	Very high	18 Å²	18	30.1 Å²	30.1	11%	0.109	15%	0.149	C	C	.	.	H	α-helix	trans	-60.2	-38	177.7	177.5	0	0	0	0	111.1	M328 V329 A335 V429 V432	M328-V331 HydrophobicContact CE-CB 4.32Å; M328-V331 HydrophobicContact CE-CG2 3.51Å; M328-V331 PolarHBondContact O-N 2.89Å; M328-V331 HydrophobicContact SD-CB 4.38Å; M328-V331 HydrophobicContact SD-CG2 4.16Å; V329-V331 PolarHBondContact O-N 2.98Å; V331-A335 VanDerWaalsContact O-CB 3.26Å; V331-A335 WeakPolarHBondContact O-CB 3.11Å; V331-A335 PolarHBondContact O-N 3.01Å; V331-V429 HydrophobicContact CG1-CG2 4.07Å; V331-V432 HydrophobicContact CG1-CG2 3.94Å
332	C	98.9	Very high	98.3	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-66.9	-41.1	173.4	-67.1	0	0	0	0	113	L322 S324 M328 V329 Q330 A335 A336 V348 V375	L322-C332 HydrophobicContact CB-CB 4.32Å; L322-C332 HydrophobicContact CD1-CB 4.11Å; S324-C332 VanDerWaalsContact CB-SG 3.56Å; M328-C332 PolarHBondContact O-N 3.24Å; M328-C332 PolarHBondContact O-SG 2.94Å; V329-C332 WeakPolarHBondContact O-CB 3.48Å; V329-C332 PolarHBondContact O-N 3.02Å; Q330-C332 VanDerWaalsContact C-N 3.25Å; Q330-C332 PolarHBondContact O-N 3.33Å; C332-A335 PolarHBondContact O-N 2.77Å; C332-A336 VanDerWaalsContact O-CB 3.28Å; C332-A336 WeakPolarHBondContact O-CB 3.5Å; C332-A336 PolarHBondContact O-N 3.27Å; C332-V348 HydrophobicContact CB-CG1 3.69Å; C332-V348 HydrophobicContact CB-CG2 4.28Å; C332-V375 WeakPolarHBondContact SG-CG2 3.34Å
333	L	98.8	Very high	98.3	Very high	38 Å²	38	37.3 Å²	37.3	20%	0.199	20%	0.199	C	C	.	.	H	α-helix	trans	-63.8	-44.1	177.3	-71.9	170.1	0	0	0	111.5	F261 E314 R315 V329 Q330 A336 A337 V348	F261-L333 HydrophobicContact CE1-CD1 4.03Å; F261-L333 HydrophobicContact CZ-CD1 4.11Å; E314-L333 HydrophobicContact CB-CD2 3.98Å; R315-L333 HydrophobicContact CB-CD2 3.95Å; V329-L333 HydrophobicContact CG1-CD1 4.2Å; V329-L333 HydrophobicContact CG1-CG 4.48Å; V329-L333 WeakPolarHBondContact O-CG 3.29Å; V329-L333 PolarHBondContact O-N 3.28Å; Q330-L333 PolarHBondContact O-N 2.89Å; Q330-L333 VanDerWaalsContact O-N 3.08Å; L333-A336 PolarHBondContact O-N 3.18Å; L333-A337 PolarHBondContact O-N 2.99Å; L333-V348 HydrophobicContact CD2-CB 4.1Å; L333-V348 HydrophobicContact CD2-CG1 4.13Å; L333-V348 HydrophobicContact CD2-CG2 4.2Å; L333-V348 HydrophobicContact CG-CG1 4.26Å
334	D	98.6	Very high	98.3	Very high	68 Å²	68	37.6 Å²	37.6	36%	0.364	20%	0.201	S	C	.	.	H	α-helix	trans	-65	-44	177	-63.7	-17.9	0	0	0	110.9	Q330 A336 A337 E338 V429	Q330-D334 PolarHBondContact NE2-OD1 3.17Å; Q330-D334 VanDerWaalsContact O-CG 3.27Å; Q330-D334 PolarHBondContact O-N 2.91Å; D334-A336 VanDerWaalsContact C-N 3.34Å; D334-A336 PolarHBondContact O-N 2.81Å; D334-A337 PolarHBondContact O-N 3.36Å; D334-E338 PolarHBondContact O-N 3.5Å; D334-E338 VanDerWaalsContact O-N 3.1Å; D334-V429 HydrophobicContact CB-CG2 3.75Å
335	A	98.7	Very high	98.2	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-61	-41.8	173.8	0	0	0	0	0	112.1	V331 C332 A337 E338 L339 V429 V432 I433	V331-A335 VanDerWaalsContact O-CB 3.26Å; V331-A335 WeakPolarHBondContact O-CB 3.11Å; V331-A335 PolarHBondContact O-N 3.01Å; C332-A335 PolarHBondContact O-N 2.77Å; A335-A337 VanDerWaalsContact C-N 3.32Å; A335-A337 PolarHBondContact O-N 3.06Å; A335-E338 PolarHBondContact O-N 3.28Å; A335-L339 VanDerWaalsContact O-CB 3.3Å; A335-L339 WeakPolarHBondContact O-CB 3.43Å; A335-L339 WeakPolarHBondContact O-CD1 3.42Å; A335-L339 WeakPolarHBondContact O-CG 3.47Å; A335-L339 PolarHBondContact O-N 2.92Å; A335-V429 HydrophobicContact CB-CG1 4.06Å; A335-V432 HydrophobicContact CB-CB 3.82Å; A335-V432 HydrophobicContact CB-CG1 3.63Å; A335-I433 HydrophobicContact CB-CG1 4.09Å
336	A	98.8	Very high	98.2	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-63.2	-37.4	176.7	0	0	0	0	0	112	C332 L333 D334 L339 E340 A346 V348	C332-A336 VanDerWaalsContact O-CB 3.28Å; C332-A336 WeakPolarHBondContact O-CB 3.5Å; C332-A336 PolarHBondContact O-N 3.27Å; L333-A336 PolarHBondContact O-N 3.18Å; D334-A336 VanDerWaalsContact C-N 3.34Å; D334-A336 PolarHBondContact O-N 2.81Å; A336-L339 PolarHBondContact O-N 3.43Å; A336-E340 WeakPolarHBondContact O-CB 3.43Å; A336-E340 PolarHBondContact O-N 2.92Å; A336-A346 HydrophobicContact CB-CB 3.89Å; A336-V348 HydrophobicContact CB-CG2 3.91Å
337	A	98.6	Very high	98.3	Very high	50 Å²	50	38.5 Å²	38.5	41%	0.413	21%	0.208	S	C	.	.	H	α-helix	trans	-65.1	-39.6	175.1	0	0	0	0	0	112.5	L333 D334 A335	L333-A337 PolarHBondContact O-N 2.99Å; D334-A337 PolarHBondContact O-N 3.36Å; A335-A337 VanDerWaalsContact C-N 3.32Å; A335-A337 PolarHBondContact O-N 3.06Å
338	E	98.4	Very high	98.4	Very high	75 Å²	75	35.2 Å²	35.2	35%	0.35	20%	0.195	S	C	.	.	H	α-helix	trans	-72.3	-38.4	174.7	-66.3	-54.1	137.5	0	0	112.9	D334 A335 E340 K341 I433	D334-E338 PolarHBondContact O-N 3.5Å; D334-E338 VanDerWaalsContact O-N 3.1Å; A335-E338 PolarHBondContact O-N 3.28Å; E338-E340 VanDerWaalsContact C-N 3.33Å; E338-E340 PolarHBondContact O-N 3.47Å; E338-K341 WeakPolarHBondContact O-CB 3.29Å; E338-K341 PolarHBondContact O-N 3.34Å; E338-K341 IonicContact OE1-NZ 2.73Å; E338-K341 PolarHBondContact OE1-NZ 2.95Å; E338-K341 IonicContact OE2-NZ 2.8Å; E338-K341 PolarHBondContact OE2-NZ 3.06Å; E338-I433 HydrophobicContact CB-CD1 3.68Å; E338-I433 HydrophobicContact CG-CD1 4.27Å
339	L	98.4	Very high	98.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-63	-37.6	176	-78.2	166	0	0	0	112.2	A335 A336 K341 M342 G343 V344 A346 I433 V436	A335-L339 VanDerWaalsContact O-CB 3.3Å; A335-L339 WeakPolarHBondContact O-CB 3.43Å; A335-L339 WeakPolarHBondContact O-CD1 3.42Å; A335-L339 WeakPolarHBondContact O-CG 3.47Å; A335-L339 PolarHBondContact O-N 2.92Å; A336-L339 PolarHBondContact O-N 3.43Å; L339-K341 PolarHBondContact O-N 3.14Å; L339-M342 CarbonylContact O-C 3.57Å; L339-M342 WeakPolarHBondContact O-CA 3.45Å; L339-M342 WeakPolarHBondContact O-CB 3.48Å; L339-M342 PolarHBondContact O-N 3.29Å; L339-G343 PolarHBondContact O-N 3.46Å; L339-V344 CarbonylContact C-O 3.6Å; L339-V344 HydrophobicContact CB-CB 4.04Å; L339-V344 HydrophobicContact CB-CG1 4.24Å; L339-V344 HydrophobicContact CD2-CB 4.25Å; L339-V344 HydrophobicContact CD2-CG1 4.25Å; L339-V344 PolarHBondContact O-N 3.16Å; L339-A346 HydrophobicContact CD1-CB 4.31Å; L339-I433 HydrophobicContact CD2-CG2 4.14Å; L339-I433 HydrophobicContact CG-CG1 4.22Å; L339-V436 HydrophobicContact CD1-CB 4.05Å; L339-V436 HydrophobicContact CD1-CG1 3.78Å; L339-V436 HydrophobicContact CD1-CG2 4.01Å; L339-V436 HydrophobicContact CD2-CB 4.28Å; L339-V436 HydrophobicContact CD2-CG1 3.8Å; L339-V436 HydrophobicContact CG-CG1 4.47Å
340	E	98.2	Very high	98.4	Very high	87 Å²	87	35.1 Å²	35.1	41%	0.407	20%	0.195	S	C	.	.	H	α-helix	trans	-60.5	-36.1	177.4	-170.4	70.6	-151.3	0	0	111.3	R315 A336 E338 M342 G343 V344 S345	R315-E340 IonicContact CZ-OE2 2.92Å; R315-E340 IonicContact NH1-OE2 3.77Å; R315-E340 IonicContact NH2-OE2 3.79Å; R315-E340 PolarHBondContact NH2-OE2 3.27Å; A336-E340 WeakPolarHBondContact O-CB 3.43Å; A336-E340 PolarHBondContact O-N 2.92Å; E338-E340 VanDerWaalsContact C-N 3.33Å; E338-E340 PolarHBondContact O-N 3.47Å; E340-M342 PolarHBondContact O-N 3.31Å; E340-M342 VanDerWaalsContact O-N 3.15Å; E340-G343 PolarHBondContact O-N 2.9Å; E340-V344 WeakPolarHBondContact CA-O 3.48Å; E340-V344 PolarHBondContact N-O 3.04Å; E340-S345 WeakPolarHBondContact OE2-CA 3.44Å; E340-S345 WeakPolarHBondContact OE2-CB 3.45Å; E340-S345 PolarHBondContact OE2-OG 2.69Å
341	K	97.8	Very high	98.5	Very high	149 Å²	149	32 Å²	32	65%	0.648	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-19.5	174.2	-56.6	174.2	-165.8	169.1	0	112.9	E338 L339	E338-K341 WeakPolarHBondContact O-CB 3.29Å; E338-K341 PolarHBondContact O-N 3.34Å; E338-K341 IonicContact OE1-NZ 2.73Å; E338-K341 PolarHBondContact OE1-NZ 2.95Å; E338-K341 IonicContact OE2-NZ 2.8Å; E338-K341 PolarHBondContact OE2-NZ 3.06Å; L339-K341 PolarHBondContact O-N 3.14Å
342	M	96.5	Very high	98.5	Very high	90 Å²	90	32.5 Å²	32.5	44%	0.443	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100	7.6	176.3	-51	-176.1	-165.3	0	0	112.6	L339 E340	L339-M342 CarbonylContact O-C 3.57Å; L339-M342 WeakPolarHBondContact O-CA 3.45Å; L339-M342 WeakPolarHBondContact O-CB 3.48Å; L339-M342 PolarHBondContact O-N 3.29Å; E340-M342 PolarHBondContact O-N 3.31Å; E340-M342 VanDerWaalsContact O-N 3.15Å
343	G	97.5	Very high	98.5	Very high	60 Å²	60	32.5 Å²	32.5	62%	0.619	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.6	21.5	-178.9	0	0	0	0	0	114.5	L339 E340	L339-G343 PolarHBondContact O-N 3.46Å; E340-G343 PolarHBondContact O-N 2.9Å
344	V	98.5	Very high	98.5	Very high	6 Å²	6	31.3 Å²	31.3	4%	0.036	17%	0.174	C	C	.	.			trans	-112.1	114.5	177.1	177.2	0	0	0	0	110	N319 V320 L339 E340 V436 L440 M442	N319-V344 HydrophobicContact CB-CG1 4.08Å; V320-V344 HydrophobicContact CG1-CG1 4.34Å; L339-V344 CarbonylContact C-O 3.6Å; L339-V344 HydrophobicContact CB-CB 4.04Å; L339-V344 HydrophobicContact CB-CG1 4.24Å; L339-V344 HydrophobicContact CD2-CB 4.25Å; L339-V344 HydrophobicContact CD2-CG1 4.25Å; L339-V344 PolarHBondContact O-N 3.16Å; E340-V344 WeakPolarHBondContact CA-O 3.48Å; E340-V344 PolarHBondContact N-O 3.04Å; V344-V436 HydrophobicContact CG1-CG1 4.22Å; V344-L440 HydrophobicContact CB-CD1 4.47Å; V344-L440 HydrophobicContact CG1-CD1 3.51Å; V344-L440 HydrophobicContact CG2-CD1 4.06Å; V344-M442 HydrophobicContact CG2-CE 3.55Å; V344-M442 HydrophobicContact CG2-SD 3.33Å; V344-M442 WeakPolarHBondContact CG2-SD 3.38Å
345	S	98.5	Very high	98.5	Very high	23 Å²	23	31.9 Å²	31.9	16%	0.161	17%	0.171	C	C	.	.			trans	-94.1	99.5	176.8	-151.3	0	0	0	0	111.5	R315 N318 N319 E340	R315-S345 PolarHBondContact NH1-OG 3.22Å; N318-S345 PolarHBondContact N-O 3.01Å; N318-S345 WeakPolarHBondContact OD1-CB 3.41Å; N319-S345 PolarHBondContact N-O 2.87Å; N319-S345 PolarHBondContact OD1-N 3.04Å; E340-S345 WeakPolarHBondContact OE2-CA 3.44Å; E340-S345 WeakPolarHBondContact OE2-CB 3.45Å; E340-S345 PolarHBondContact OE2-OG 2.69Å
346	A	98.8	Very high	98.5	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	129.5	177.5	0	0	0	0	0	111.8	R315 V320 L322 A336 L339	R315-A346 PolarHBondContact NH1-O 3.05Å; V320-A346 HydrophobicContact CG1-CB 3.72Å; V320-A346 CarbonylContact O-C 3.58Å; V320-A346 WeakPolarHBondContact O-CA 3.48Å; L322-A346 HydrophobicContact CD1-CB 3.96Å; L322-A346 HydrophobicContact CG-CB 4.2Å; A336-A346 HydrophobicContact CB-CB 3.89Å; L339-A346 HydrophobicContact CD1-CB 4.31Å
347	E	98.9	Very high	98.4	Very high	6 Å²	6	37.4 Å²	37.4	3%	0.028	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	131	166.5	178.9	143.9	97.2	0	0	109.1	V313 R315 A316 G317 V320 L322 I349 S365 K368 T369	V313-E347 HydrophobicContact CG1-CG 3.9Å; R315-E347 CarbonylContact O-C 3.57Å; R315-E347 VanDerWaalsContact O-CA 3.27Å; R315-E347 WeakPolarHBondContact O-CA 3.44Å; A316-E347 WeakPolarHBondContact CA-OE2 3.48Å; G317-E347 PolarHBondContact N-OE2 3.31Å; V320-E347 PolarHBondContact O-N 2.91Å; L322-E347 PolarHBondContact N-O 3.09Å; E347-I349 HydrophobicContact CG-CG1 4.41Å; E347-S365 WeakPolarHBondContact OE1-CB 3.45Å; E347-S365 PolarHBondContact OE1-OG 2.93Å; E347-K368 VanDerWaalsContact OE1-CE 3.32Å; E347-K368 WeakPolarHBondContact OE1-CE 3.45Å; E347-K368 IonicContact OE1-NZ 3.08Å; E347-K368 PolarHBondContact OE1-NZ 2.78Å; E347-K368 IonicContact OE2-NZ 2.69Å; E347-K368 PolarHBondContact OE2-NZ 3.14Å; E347-T369 HydrophobicContact CB-CG2 4.39Å
348	V	98.9	Very high	98.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	119.4	-179.3	-176.9	0	0	0	0	109.8	V313 E314 R315 L322 V329 C332 L333 A336	V313-V348 CarbonylContact C-O 3.19Å; V313-V348 WeakPolarHBondContact CA-O 2.99Å; E314-V348 PolarHBondContact N-O 3.07Å; R315-V348 HydrophobicContact CB-CB 4.06Å; R315-V348 HydrophobicContact CB-CG2 4.12Å; R315-V348 PolarHBondContact N-O 3.03Å; R315-V348 PolarHBondContact O-N 2.95Å; L322-V348 HydrophobicContact CB-CG2 4.36Å; L322-V348 HydrophobicContact CD1-CG2 4.27Å; L322-V348 WeakPolarHBondContact O-CA 3.49Å; V329-V348 HydrophobicContact CG1-CG1 4.42Å; C332-V348 HydrophobicContact CB-CG1 3.69Å; C332-V348 HydrophobicContact CB-CG2 4.28Å; L333-V348 HydrophobicContact CD2-CB 4.1Å; L333-V348 HydrophobicContact CD2-CG1 4.13Å; L333-V348 HydrophobicContact CD2-CG2 4.2Å; L333-V348 HydrophobicContact CG-CG1 4.26Å; A336-V348 HydrophobicContact CB-CG2 3.91Å
349	I	98.9	Very high	98.4	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	119.4	178.4	-58.1	-178.5	0	0	0	109.2	A311 V313 T321 L322 V323 S324 E347 T361	A311-I349 HydrophobicContact CB-CG2 3.78Å; V313-I349 HydrophobicContact CG2-CG1 4.41Å; T321-I349 HydrophobicContact CG2-CD1 3.62Å; T321-I349 HydrophobicContact CG2-CG1 4.21Å; L322-I349 PolarHBondContact O-N 3.32Å; V323-I349 HydrophobicContact CG2-CB 4.37Å; V323-I349 HydrophobicContact CG2-CD1 4.28Å; S324-I349 PolarHBondContact N-O 3.29Å; E347-I349 HydrophobicContact CG-CG1 4.41Å; I349-T361 HydrophobicContact CD1-CG2 4.34Å; I349-T361 HydrophobicContact CG2-CG2 4.43Å
350	N	98.9	Very high	98.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	113.2	166.4	172.2	8.1	0	0	0	108.8	D265 A311 K312 E314 S324 V329 R352	D265-N350 PolarHBondContact OD2-ND2 2.96Å; A311-N350 CarbonylContact C-O 3.44Å; A311-N350 VanDerWaalsContact CA-O 3.31Å; A311-N350 WeakPolarHBondContact CA-O 3.4Å; A311-N350 WeakPolarHBondContact CB-O 3.29Å; K312-N350 PolarHBondContact N-O 3.42Å; K312-N350 PolarHBondContact O-N 2.65Å; E314-N350 HydrophobicContact CG-CB 3.6Å; E314-N350 WeakPolarHBondContact OE1-CB 3.45Å; E314-N350 PolarHBondContact OE1-ND2 3.01Å; S324-N350 WeakPolarHBondContact O-CA 3.36Å; V329-N350 HydrophobicContact CG1-CB 4.09Å; V329-N350 HydrophobicContact CG2-CB 3.97Å; N350-R352 VanDerWaalsContact C-N 3.31Å; N350-R352 PolarHBondContact O-N 2.73Å; N350-R352 PolarHBondContact OD1-N 2.94Å
351	L	98.8	Very high	98.4	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.01	19%	0.191	C	C	.	.			trans	-62.9	-36	-175.3	-68.8	179.3	0	0	0	113.3	A311 V323 S324 F325 T353 L354 L357 I362 V384 L388	A311-L351 WeakPolarHBondContact CA-O 3.4Å; V323-L351 HydrophobicContact CG1-CD1 4.19Å; V323-L351 HydrophobicContact CG1-CD2 3.41Å; V323-L351 VanDerWaalsContact CG1-CD2 3.41Å; V323-L351 HydrophobicContact CG1-CG 3.81Å; S324-L351 WeakPolarHBondContact O-CG 3.48Å; S324-L351 PolarHBondContact O-N 2.58Å; F325-L351 HydrophobicContact CB-CB 4.24Å; F325-L351 HydrophobicContact CB-CD1 4.47Å; F325-L351 HydrophobicContact CD1-CD1 3.84Å; L351-T353 PolarHBondContact O-N 2.7Å; L351-L354 HydrophobicContact CB-CD2 4.42Å; L351-L354 HydrophobicContact CD1-CD2 3.59Å; L351-L357 HydrophobicContact CD1-CD1 4.28Å; L351-L357 HydrophobicContact CD2-CD1 3.88Å; L351-I362 HydrophobicContact CD2-CD1 3.75Å; L351-I362 HydrophobicContact CD2-CG1 4.36Å; L351-V384 HydrophobicContact CD1-CG1 4.35Å; L351-L388 HydrophobicContact CD1-CD1 4.2Å; L351-L388 HydrophobicContact CD1-CD2 4.49Å
352	R	98.8	Very high	98.5	Very high	28 Å²	28	28 Å²	28	11%	0.106	16%	0.16	C	C	.	.			trans	59.1	-47.7	-172	-66.1	172.5	157.6	-173	-12.5	115.6	I258 V259 D265 L269 K310 N350	I258-R352 WeakPolarHBondContact CA-O 3.48Å; V259-R352 PolarHBondContact N-O 3.28Å; D265-R352 IonicContact OD1-CZ 2.61Å; D265-R352 IonicContact OD1-NE 3.41Å; D265-R352 PolarHBondContact OD1-NE 2.83Å; D265-R352 IonicContact OD1-NH2 2.83Å; D265-R352 PolarHBondContact OD1-NH2 2.85Å; L269-R352 HydrophobicContact CD1-CB 3.95Å; L269-R352 HydrophobicContact CD1-CG 4.37Å; L269-R352 HydrophobicContact CD2-CB 4.43Å; K310-R352 WeakPolarHBondContact O-CD 3.39Å; N350-R352 VanDerWaalsContact C-N 3.31Å; N350-R352 PolarHBondContact O-N 2.73Å; N350-R352 PolarHBondContact OD1-N 2.94Å
353	T	98.8	Very high	98.6	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	127.3	179.1	-52.2	0	0	0	0	109.5	V257 I258 F308 G309 L351 R355 P356	V257-T353 WeakPolarHBondContact O-CA 2.97Å; V257-T353 WeakPolarHBondContact O-CG2 3.16Å; I258-T353 HydrophobicContact CG2-CG2 4.32Å; F308-T353 HydrophobicContact CB-CG2 4.26Å; G309-T353 PolarHBondContact N-OG1 3.18Å; G309-T353 VanDerWaalsContact N-OG1 3.14Å; L351-T353 PolarHBondContact O-N 2.7Å; T353-R355 VanDerWaalsContact CG2-C 3.49Å; T353-R355 WeakPolarHBondContact CG2-O 3.36Å; T353-P356 WeakPolarHBondContact CG2-O 3.44Å
354	L	98.7	Very high	98.6	Very high	14 Å²	14	27.3 Å²	27.3	7%	0.073	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	-29.9	172.6	-64.5	-177.3	0	0	0	112.3	S246 V257 V259 F325 L351 V384	S246-L354 VanDerWaalsContact CB-CD1 3.47Å; V257-L354 HydrophobicContact CB-CB 4.38Å; V257-L354 HydrophobicContact CG1-CB 4.36Å; V257-L354 HydrophobicContact CG1-CD1 4.48Å; V257-L354 PolarHBondContact O-N 2.75Å; V259-L354 HydrophobicContact CG2-CD1 3.53Å; V259-L354 HydrophobicContact CG2-CG 3.65Å; F325-L354 HydrophobicContact CD1-CD2 4.07Å; F325-L354 HydrophobicContact CE1-CD2 4.4Å; F325-L354 HydrophobicContact CG-CD2 4.29Å; L351-L354 HydrophobicContact CB-CD2 4.42Å; L351-L354 HydrophobicContact CD1-CD2 3.59Å; L354-V384 HydrophobicContact CD1-CG2 3.91Å; L354-V384 HydrophobicContact CD2-CG1 3.77Å; L354-V384 HydrophobicContact CD2-CG2 4.36Å
355	R	98.5	Very high	98.6	Very high	80 Å²	80	27.1 Å²	27.1	30%	0.302	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	115.9	175.9	-170.3	179	-169.3	80	8.8	110.5	S250 C252 L255 K256 V257 T353	S250-R355 VanDerWaalsContact O-CD 3.31Å; S250-R355 WeakPolarHBondContact O-CD 3.23Å; S250-R355 PolarHBondContact O-NH1 2.74Å; C252-R355 WeakPolarHBondContact O-CD 3.33Å; C252-R355 PolarHBondContact O-NE 2.66Å; C252-R355 VanDerWaalsContact O-NE 3.1Å; L255-R355 VanDerWaalsContact O-CD 3.24Å; L255-R355 WeakPolarHBondContact O-CD 3.49Å; K256-R355 CarbonylContact C-O 3.46Å; K256-R355 VanDerWaalsContact CA-O 3.22Å; K256-R355 WeakPolarHBondContact CA-O 3.3Å; V257-R355 HydrophobicContact CB-CB 4.21Å; V257-R355 HydrophobicContact CG2-CB 4.21Å; V257-R355 PolarHBondContact N-O 2.89Å; V257-R355 PolarHBondContact O-N 3.39Å; T353-R355 VanDerWaalsContact CG2-C 3.49Å; T353-R355 WeakPolarHBondContact CG2-O 3.36Å
356	P	98.2	Very high	98.6	Very high	69 Å²	69	26 Å²	26	45%	0.448	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	cis	-70.7	142.4	-7.2	30.8	-35.1	0	0	0	112.5	G309 T353	G309-P356 VanDerWaalsContact CA-O 3.31Å; G309-P356 WeakPolarHBondContact CA-O 3.19Å; T353-P356 WeakPolarHBondContact CG2-O 3.44Å
357	L	98.2	Very high	98.6	Very high	46 Å²	46	28.4 Å²	28.4	24%	0.241	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	140.5	177.9	-179.3	68.9	0	0	0	111.4	L351 L359 I362 L388	L351-L357 HydrophobicContact CD1-CD1 4.28Å; L351-L357 HydrophobicContact CD2-CD1 3.88Å; L357-L359 PolarHBondContact O-N 3.27Å; L357-I362 HydrophobicContact CD1-CD1 4.25Å; L357-I362 HydrophobicContact CD2-CD1 4.47Å; L357-L388 HydrophobicContact CD1-CD2 3.87Å; L357-L388 HydrophobicContact CD2-CD2 3.6Å; L357-L388 HydrophobicContact CG-CD2 4.37Å
358	D	98.5	Very high	98.6	Very high	7 Å²	7	33 Å²	33	4%	0.037	16%	0.164	C	C	.	.			trans	-85.7	73.7	170.8	-170.3	10.4	0	0	0	111.7	G309 K310 A311 D360 T361	G309-D358 WeakPolarHBondContact O-CB 3.35Å; K310-D358 WeakPolarHBondContact CA-OD2 3.47Å; A311-D358 HydrophobicContact CB-CB 4Å; A311-D358 PolarHBondContact N-OD2 3.15Å; D358-D360 VanDerWaalsContact C-N 3.27Å; D358-D360 PolarHBondContact O-N 3.07Å; D358-T361 VanDerWaalsContact CG-OG1 3.29Å; D358-T361 PolarHBondContact OD1-OG1 3.48Å; D358-T361 WeakPolarHBondContact OD2-CB 3.33Å; D358-T361 PolarHBondContact OD2-OG1 3.35Å
359	L	97.9	Very high	98.6	Very high	30 Å²	30	33.1 Å²	33.1	16%	0.157	17%	0.165	C	C	.	.	H	α-helix	trans	-66.7	-29.1	-177.5	-175.7	60.5	0	0	0	112.6	L357 I362 K363 Q391 V392	L357-L359 PolarHBondContact O-N 3.27Å; L359-I362 PolarHBondContact O-N 2.92Å; L359-K363 HydrophobicContact CD1-CG 4.26Å; L359-K363 HydrophobicContact CD2-CD 4.35Å; L359-K363 HydrophobicContact CG-CD 4Å; L359-K363 HydrophobicContact CG-CG 4.09Å; L359-K363 WeakPolarHBondContact O-CG 3.38Å; L359-K363 PolarHBondContact O-N 2.87Å; L359-Q391 HydrophobicContact CD1-CB 3.76Å; L359-Q391 HydrophobicContact CD2-CB 4.05Å; L359-V392 HydrophobicContact CD1-CG2 4.37Å
360	D	98.5	Very high	98.6	Very high	90 Å²	90	35.5 Å²	35.5	48%	0.481	18%	0.178	S	C	.	.	H	α-helix	trans	-64.2	-46.4	-177.5	-70	-26.4	0	0	0	111.7	D358 I362 K363 D364	D358-D360 VanDerWaalsContact C-N 3.27Å; D358-D360 PolarHBondContact O-N 3.07Å; D360-I362 VanDerWaalsContact C-N 3.25Å; D360-I362 PolarHBondContact O-N 2.86Å; D360-K363 PolarHBondContact O-N 3.48Å; D360-K363 WeakPolarHBondContact OD1-CE 3.33Å; D360-K363 IonicContact OD1-NZ 3.62Å; D360-K363 PolarHBondContact OD1-NZ 2.98Å; D360-D364 PolarHBondContact O-N 3.18Å
361	T	98.7	Very high	98.6	Very high	37 Å²	37	36.5 Å²	36.5	23%	0.227	18%	0.183	C	C	.	.	H	α-helix	trans	-58.3	-38.4	175.5	-63.1	0	0	0	0	112.1	A311 V313 I349 D358 S365	A311-T361 HydrophobicContact CB-CG2 4.09Å; V313-T361 HydrophobicContact CG2-CG2 4.16Å; I349-T361 HydrophobicContact CD1-CG2 4.34Å; I349-T361 HydrophobicContact CG2-CG2 4.43Å; D358-T361 VanDerWaalsContact CG-OG1 3.29Å; D358-T361 PolarHBondContact OD1-OG1 3.48Å; D358-T361 WeakPolarHBondContact OD2-CB 3.33Å; D358-T361 PolarHBondContact OD2-OG1 3.35Å; T361-S365 WeakPolarHBondContact O-CB 3.35Å; T361-S365 PolarHBondContact O-N 3.08Å
362	I	98.7	Very high	98.6	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-67.5	-50.1	177.6	-59.9	172.3	0	0	0	110.3	V323 L351 L357 L359 D360 D364 S365 V366 M372 L388 V392	V323-I362 HydrophobicContact CG1-CD1 4.12Å; V323-I362 HydrophobicContact CG1-CG1 4.37Å; V323-I362 HydrophobicContact CG2-CG2 4.24Å; L351-I362 HydrophobicContact CD2-CD1 3.75Å; L351-I362 HydrophobicContact CD2-CG1 4.36Å; L357-I362 HydrophobicContact CD1-CD1 4.25Å; L357-I362 HydrophobicContact CD2-CD1 4.47Å; L359-I362 PolarHBondContact O-N 2.92Å; D360-I362 VanDerWaalsContact C-N 3.25Å; D360-I362 PolarHBondContact O-N 2.86Å; I362-D364 VanDerWaalsContact C-N 3.35Å; I362-D364 PolarHBondContact O-N 2.76Å; I362-S365 WeakPolarHBondContact O-CB 3.44Å; I362-S365 PolarHBondContact O-N 3.2Å; I362-V366 HydrophobicContact CG2-CG2 4.34Å; I362-V366 WeakPolarHBondContact O-CG2 3.36Å; I362-V366 PolarHBondContact O-N 2.96Å; I362-M372 HydrophobicContact CG2-CE 3.87Å; I362-M372 HydrophobicContact CG2-SD 3.82Å; I362-L388 HydrophobicContact CD1-CD2 3.74Å; I362-V392 HydrophobicContact CG2-CG2 3.89Å
363	K	98.7	Very high	98.6	Very high	33 Å²	33	35.1 Å²	35.1	14%	0.143	18%	0.177	C	C	.	.	H	α-helix	trans	-59	-44.9	179.9	-71.9	179.3	-56.8	179.6	0	111.9	L359 D360 S365 V366 K367 A397	L359-K363 HydrophobicContact CD1-CG 4.26Å; L359-K363 HydrophobicContact CD2-CD 4.35Å; L359-K363 HydrophobicContact CG-CD 4Å; L359-K363 HydrophobicContact CG-CG 4.09Å; L359-K363 WeakPolarHBondContact O-CG 3.38Å; L359-K363 PolarHBondContact O-N 2.87Å; D360-K363 PolarHBondContact O-N 3.48Å; D360-K363 WeakPolarHBondContact OD1-CE 3.33Å; D360-K363 IonicContact OD1-NZ 3.62Å; D360-K363 PolarHBondContact OD1-NZ 2.98Å; K363-S365 VanDerWaalsContact C-N 3.28Å; K363-S365 PolarHBondContact O-N 2.78Å; K363-V366 PolarHBondContact O-N 3.28Å; K363-K367 WeakPolarHBondContact O-CB 3.41Å; K363-K367 VanDerWaalsContact O-CG 3.26Å; K363-K367 WeakPolarHBondContact O-CG 3.45Å; K363-K367 PolarHBondContact O-N 2.75Å; K363-A397 HydrophobicContact CB-CB 3.99Å; K363-A397 HydrophobicContact CG-CB 3.92Å
364	D	98.6	Very high	98.6	Very high	103 Å²	103	35.2 Å²	35.2	55%	0.551	18%	0.178	S	C	*	.	H	α-helix	trans	-62.9	-37.9	179.7	-73.2	-11.9	0	0	0	111.7	D360 I362 K368	D360-D364 PolarHBondContact O-N 3.18Å; I362-D364 VanDerWaalsContact C-N 3.35Å; I362-D364 PolarHBondContact O-N 2.76Å; D364-K368 PolarHBondContact O-N 3.04Å
365	S	98.8	Very high	98.6	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.014	17%	0.174	C	C	.	.	H	α-helix	trans	-65.8	-47.8	173.6	-171.1	0	0	0	0	112	T321 E347 T361 I362 K363 K367 K368 T369	T321-S365 WeakPolarHBondContact CB-OG 3.39Å; T321-S365 WeakPolarHBondContact CG2-OG 3.36Å; T321-S365 PolarHBondContact OG1-O 3.34Å; T321-S365 PolarHBondContact OG1-OG 3.32Å; E347-S365 WeakPolarHBondContact OE1-CB 3.45Å; E347-S365 PolarHBondContact OE1-OG 2.93Å; T361-S365 WeakPolarHBondContact O-CB 3.35Å; T361-S365 PolarHBondContact O-N 3.08Å; I362-S365 WeakPolarHBondContact O-CB 3.44Å; I362-S365 PolarHBondContact O-N 3.2Å; K363-S365 VanDerWaalsContact C-N 3.28Å; K363-S365 PolarHBondContact O-N 2.78Å; S365-K367 PolarHBondContact O-N 3.48Å; S365-K368 WeakPolarHBondContact O-CB 3.45Å; S365-K368 PolarHBondContact O-N 3.02Å; S365-T369 WeakPolarHBondContact O-CG2 3.28Å; S365-T369 PolarHBondContact O-N 2.88Å; S365-T369 PolarHBondContact O-OG1 2.9Å; S365-T369 VanDerWaalsContact O-OG1 3.08Å
366	V	98.7	Very high	98.6	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-61.4	-42.3	178.6	172.3	0	0	0	0	111.6	I362 K363 K368 T369 N370 M372 V392 A397 L401	I362-V366 HydrophobicContact CG2-CG2 4.34Å; I362-V366 WeakPolarHBondContact O-CG2 3.36Å; I362-V366 PolarHBondContact O-N 2.96Å; K363-V366 PolarHBondContact O-N 3.28Å; V366-K368 PolarHBondContact O-N 3.39Å; V366-T369 PolarHBondContact O-N 3.29Å; V366-N370 WeakPolarHBondContact O-CA 3.33Å; V366-N370 PolarHBondContact O-N 3.06Å; V366-M372 HydrophobicContact CG2-CB 3.96Å; V366-M372 HydrophobicContact CG2-CG 4.23Å; V366-M372 HydrophobicContact CG2-SD 3.65Å; V366-V392 HydrophobicContact CG1-CG1 4.38Å; V366-A397 HydrophobicContact CB-CB 4.41Å; V366-A397 HydrophobicContact CG1-CB 4.23Å; V366-L401 HydrophobicContact CG1-CD2 3.57Å; V366-L401 HydrophobicContact CG1-CG 3.99Å
367	K	98.6	Very high	98.4	Very high	49 Å²	49	28.1 Å²	28.1	21%	0.213	14%	0.142	C	C	.	.	H	α-helix	trans	-60.7	-27.8	175.7	-72	172.2	-178.2	172.5	0	112.9	K363 S365 D396 A397 Y400	K363-K367 WeakPolarHBondContact O-CB 3.41Å; K363-K367 VanDerWaalsContact O-CG 3.26Å; K363-K367 WeakPolarHBondContact O-CG 3.45Å; K363-K367 PolarHBondContact O-N 2.75Å; S365-K367 PolarHBondContact O-N 3.48Å; K367-D396 WeakPolarHBondContact CE-OD1 3.22Å; K367-D396 IonicContact NZ-OD1 3.4Å; K367-D396 PolarHBondContact NZ-OD1 3.32Å; K367-D396 VanDerWaalsContact NZ-OD1 3.08Å; K367-D396 IonicContact NZ-OD2 3.63Å; K367-D396 PolarHBondContact NZ-OD2 3.03Å; K367-A397 HydrophobicContact CG-CB 4.21Å; K367-Y400 HydrophobicContact CB-CD1 3.91Å; K367-Y400 HydrophobicContact CB-CE1 4.2Å; K367-Y400 HydrophobicContact CB-CG 4.1Å; K367-Y400 HydrophobicContact CD-CD2 4.49Å; K367-Y400 HydrophobicContact CD-CE2 4.31Å; K367-Y400 HydrophobicContact CG-CD1 4.02Å; K367-Y400 HydrophobicContact CG-CD2 3.74Å; K367-Y400 HydrophobicContact CG-CE1 4.26Å; K367-Y400 HydrophobicContact CG-CE2 4Å; K367-Y400 HydrophobicContact CG-CG 3.76Å; K367-Y400 WeakPolarHBondContact O-CD1 3.49Å
368	K	98.7	Very high	98.4	Very high	102 Å²	102	26.1 Å²	26.1	44%	0.443	13%	0.133	S	C	.	.	H	α-helix	trans	-85.8	-37.7	178.1	176.3	-176.7	66.8	-170	0	113.1	G317 E347 D364 S365 V366	G317-K368 VanDerWaalsContact O-CE 3.26Å; G317-K368 WeakPolarHBondContact O-CE 3.46Å; E347-K368 VanDerWaalsContact OE1-CE 3.32Å; E347-K368 WeakPolarHBondContact OE1-CE 3.45Å; E347-K368 IonicContact OE1-NZ 3.08Å; E347-K368 PolarHBondContact OE1-NZ 2.78Å; E347-K368 IonicContact OE2-NZ 2.69Å; E347-K368 PolarHBondContact OE2-NZ 3.14Å; D364-K368 PolarHBondContact O-N 3.04Å; S365-K368 WeakPolarHBondContact O-CB 3.45Å; S365-K368 PolarHBondContact O-N 3.02Å; V366-K368 PolarHBondContact O-N 3.39Å
369	T	98.7	Very high	98.4	Very high	3 Å²	3	30.4 Å²	30.4	2%	0.018	15%	0.149	C	C	.	.	H	α-helix	trans	-101	-16.4	-171.8	63.9	0	0	0	0	113.8	T321 E347 S365 V366 H371	T321-T369 PolarHBondContact N-OG1 3.34Å; T321-T369 WeakPolarHBondContact OG1-CG2 3.19Å; T321-T369 PolarHBondContact OG1-OG1 2.97Å; E347-T369 HydrophobicContact CB-CG2 4.39Å; S365-T369 WeakPolarHBondContact O-CG2 3.28Å; S365-T369 PolarHBondContact O-N 2.88Å; S365-T369 PolarHBondContact O-OG1 2.9Å; S365-T369 VanDerWaalsContact O-OG1 3.08Å; V366-T369 PolarHBondContact O-N 3.29Å; T369-H371 PolarHBondContact O-CD2 3.01Å; T369-H371 PolarHBondContact O-N 3.31Å; T369-H371 PolarHBondContact OG1-O 3.12Å; T369-H371 VanDerWaalsContact OG1-O 3.05Å
370	N	98.6	Very high	98.3	Very high	50 Å²	50	30.3 Å²	30.3	27%	0.267	15%	0.15	S	C	.	.	S	Bend	trans	61.2	2	-177.2	-52.5	103.5	0	0	0	115.5	V366 Y400 L401 D402	V366-N370 WeakPolarHBondContact O-CA 3.33Å; V366-N370 PolarHBondContact O-N 3.06Å; N370-Y400 VanDerWaalsContact CA-O 3.29Å; N370-Y400 WeakPolarHBondContact CA-O 3.39Å; N370-Y400 VanDerWaalsContact CB-O 3.29Å; N370-Y400 WeakPolarHBondContact CB-O 3.04Å; N370-Y400 PolarHBondContact ND2-O 3.36Å; N370-L401 CarbonylContact O-C 3.57Å; N370-L401 WeakPolarHBondContact O-CA 3.47Å; N370-D402 HydrophobicContact CB-CB 4.1Å; N370-D402 WeakPolarHBondContact CB-OD2 3.32Å; N370-D402 PolarHBondContact O-N 3.23Å
371	H	98.8	Very high	98.3	Very high	22 Å²	22	33.8 Å²	33.8	10%	0.102	16%	0.161	C	C	.	.			trans	-141.5	144.3	-176	-70.3	-96.7	0	0	0	110.8	V320 T321 T369 A403 S439 L440	V320-H371 HydrophobicContact CB-CB 4.13Å; V320-H371 HydrophobicContact CG2-CB 3.91Å; T321-H371 WeakPolarHBondContact CB-O 3.25Å; T321-H371 PolarHBondContact N-O 2.83Å; T369-H371 PolarHBondContact O-CD2 3.01Å; T369-H371 PolarHBondContact O-N 3.31Å; T369-H371 PolarHBondContact OG1-O 3.12Å; T369-H371 VanDerWaalsContact OG1-O 3.05Å; H371-A403 WeakPolarHBondContact ND1-CB 3.29Å; H371-S439 PolarHBondContact CE1-O 2.79Å; H371-S439 PolarHBondContact ND1-O 2.82Å; H371-S439 PolarHBondContact ND1-OG 2.81Å; H371-S439 VanDerWaalsContact ND1-OG 3.08Å; H371-L440 HydrophobicContact CB-CD2 4.32Å
372	M	98.8	Very high	98.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	139.7	176.3	-175.3	172.7	160.5	0	0	112.3	T321 V323 I362 V366 T374 L388 V392 I405 L406	T321-M372 CarbonylContact O-C 3.6Å; T321-M372 VanDerWaalsContact O-CA 3.31Å; T321-M372 WeakPolarHBondContact O-CA 3.24Å; V323-M372 HydrophobicContact CB-CE 4.04Å; V323-M372 HydrophobicContact CG2-CE 3.6Å; V323-M372 HydrophobicContact CG2-CG 4.29Å; V323-M372 HydrophobicContact CG2-SD 4.25Å; I362-M372 HydrophobicContact CG2-CE 3.87Å; I362-M372 HydrophobicContact CG2-SD 3.82Å; V366-M372 HydrophobicContact CG2-CB 3.96Å; V366-M372 HydrophobicContact CG2-CG 4.23Å; V366-M372 HydrophobicContact CG2-SD 3.65Å; M372-T374 HydrophobicContact CE-CG2 3.51Å; M372-L388 HydrophobicContact CE-CB 4.03Å; M372-L388 HydrophobicContact CE-CD1 4.48Å; M372-V392 HydrophobicContact CE-CG2 4.34Å; M372-V392 HydrophobicContact SD-CG2 3.9Å; M372-I405 HydrophobicContact CB-CG1 4.27Å; M372-I405 HydrophobicContact CB-CG2 4.02Å; M372-I405 HydrophobicContact CG-CG2 3.94Å; M372-I405 HydrophobicContact SD-CD1 4.4Å; M372-I405 HydrophobicContact SD-CG2 4.32Å; M372-L406 PolarHBondContact O-N 2.82Å
373	V	98.9	Very high	98.2	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	127.8	167.7	-178.9	0	0	0	0	109	V320 T321 L322 V323 V375 L406 V408 V435 V436	V320-V373 HydrophobicContact CG2-CG2 4.19Å; T321-V373 PolarHBondContact O-N 2.92Å; L322-V373 WeakPolarHBondContact CA-O 3.31Å; L322-V373 HydrophobicContact CD2-CB 3.75Å; L322-V373 HydrophobicContact CD2-CG1 4.37Å; L322-V373 HydrophobicContact CD2-CG2 4.4Å; V323-V373 PolarHBondContact N-O 2.83Å; V373-V375 HydrophobicContact CG1-CG2 4.39Å; V373-L406 CarbonylContact C-O 3.57Å; V373-L406 VanDerWaalsContact CA-O 3.26Å; V373-L406 WeakPolarHBondContact CA-O 3.42Å; V373-L406 HydrophobicContact CG2-CB 4.43Å; V373-V408 HydrophobicContact CG1-CG2 3.96Å; V373-V435 HydrophobicContact CG1-CG1 3.71Å; V373-V435 HydrophobicContact CG2-CG1 4.1Å; V373-V436 HydrophobicContact CG2-CG2 4.19Å
374	T	98.9	Very high	98.2	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.012	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	143.4	172.7	70	0	0	0	0	110.2	V323 M372 L388 I405 L406 R407 V408	V323-T374 CarbonylContact O-C 3.55Å; V323-T374 WeakPolarHBondContact O-CA 3.39Å; M372-T374 HydrophobicContact CE-CG2 3.51Å; T374-L388 HydrophobicContact CG2-CB 3.91Å; T374-L388 HydrophobicContact CG2-CD1 3.73Å; T374-L388 HydrophobicContact CG2-CG 4.48Å; T374-I405 HydrophobicContact CG2-CG2 4.41Å; T374-L406 PolarHBondContact N-O 2.87Å; T374-R407 WeakPolarHBondContact OG1-CG 3.49Å; T374-V408 PolarHBondContact O-N 3.04Å
375	V	98.9	Very high	98.2	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.006	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	123.8	178.3	-169.2	0	0	0	0	109.8	V323 S324 M328 C332 V373 V408 V432	V323-V375 PolarHBondContact O-N 2.97Å; S324-V375 PolarHBondContact OG-O 3.21Å; M328-V375 HydrophobicContact CB-CG1 4.07Å; M328-V375 HydrophobicContact CG-CG1 4.26Å; M328-V375 HydrophobicContact SD-CG1 4.25Å; C332-V375 WeakPolarHBondContact SG-CG2 3.34Å; V373-V375 HydrophobicContact CG1-CG2 4.39Å; V375-V408 VanDerWaalsContact CA-O 3.3Å; V375-V408 WeakPolarHBondContact CA-O 3.46Å; V375-V408 HydrophobicContact CB-CB 4.49Å; V375-V408 HydrophobicContact CG1-CB 4.2Å; V375-V408 HydrophobicContact CG1-CG1 4.26Å; V375-V408 HydrophobicContact CG2-CB 4.21Å; V375-V408 HydrophobicContact CG2-CG2 4.49Å; V375-V432 HydrophobicContact CG1-CG2 3.99Å; V375-V432 HydrophobicContact CG2-CG1 4.33Å; V375-V432 HydrophobicContact CG2-CG2 4.04Å
376	E	98.5	Very high	98.2	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	16%	0.162	C	C	.	.			trans	-143.4	153.7	178.5	66.3	-174.4	127.5	0	0	112	F325 V384 G385 V408 S409 G410 P427	F325-E376 HydrophobicContact CE1-CB 3.71Å; F325-E376 HydrophobicContact CZ-CB 3.58Å; E376-V384 PolarHBondContact OE1-N 2.9Å; E376-V384 PolarHBondContact OE2-N 2.77Å; E376-G385 WeakPolarHBondContact OE1-CA 3.39Å; E376-G385 PolarHBondContact OE1-N 3.03Å; E376-V408 PolarHBondContact N-O 2.95Å; E376-S409 CarbonylContact O-C 3.55Å; E376-S409 VanDerWaalsContact O-CA 3.23Å; E376-S409 WeakPolarHBondContact O-CA 3.37Å; E376-G410 PolarHBondContact O-N 3.31Å; E376-P427 VanDerWaalsContact O-CG 3.32Å; E376-P427 WeakPolarHBondContact O-CG 3.43Å
377	N	94.6	Very high	98.1	Very high	12 Å²	12	36.5 Å²	36.5	6%	0.064	18%	0.184	C	C	.	.	S	Bend	trans	-79	-28.4	174.9	-84.9	116.6	0	0	0	112.9	P233 M328 G410	P233-N377 HydrophobicContact CG-CB 3.95Å; M328-N377 VanDerWaalsContact CE-ND2 3.3Å; M328-N377 WeakPolarHBondContact CE-ND2 3.38Å; M328-N377 VanDerWaalsContact CE-OD1 3.22Å; M328-N377 WeakPolarHBondContact CE-OD1 3.21Å; M328-N377 HydrophobicContact CG-CB 4.3Å; M328-N377 WeakPolarHBondContact CG-OD1 3.46Å; N377-G410 WeakPolarHBondContact O-CA 3.43Å; N377-G410 PolarHBondContact O-N 3.1Å
378	G	96.7	Very high	98.1	Very high	5 Å²	5	34.3 Å²	34.3	5%	0.052	18%	0.175	C	C	.	.	S	Bend	trans	-64.7	171.6	-175.5	0	0	0	0	0	114.7	D244 G410	D244-G378 PolarHBondContact OD2-N 3.18Å; G378-G410 PolarHBondContact O-N 3.19Å
379	W	98.1	Very high	98.1	Very high	97 Å²	97	30.3 Å²	30.3	37%	0.367	16%	0.159	S	C	.	.			trans	-62.4	149.6	176.6	-66.1	-43.2	0	0	0	112.3	Q243 F381 V413	Q243-W379 HydrophobicContact CB-CH2 4.46Å; Q243-W379 HydrophobicContact CG-CH2 3.94Å; Q243-W379 HydrophobicContact CG-CZ3 3.9Å; W379-F381 PolarHBondContact O-N 3.42Å; W379-V413 PolarHBondContact NE1-O 3.34Å
380	P	97.7	Very high	98.1	Very high	28 Å²	28	32 Å²	32	18%	0.182	17%	0.173	C	C	.	.	S	Bend	trans	-72.4	-31.8	-172.3	22.5	-27.9	0	0	0	113.8	C382 R407 S409 G410 D412	P380-C382 PolarHBondContact O-N 2.94Å; P380-R407 PolarHBondContact O-NH1 3.48Å; P380-R407 PolarHBondContact O-NH2 3.02Å; P380-S409 VanDerWaalsContact CB-OG 3.31Å; P380-S409 WeakPolarHBondContact CB-OG 3.35Å; P380-G410 WeakPolarHBondContact CD-O 3.38Å; P380-D412 HydrophobicContact CG-CB 3.76Å
381	F	97.7	Very high	98.1	Very high	162 Å²	162	32.6 Å²	32.6	71%	0.711	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.7	122.6	-174.4	-170.9	-95.7	0	0	0	110	W379 G383	W379-F381 PolarHBondContact O-N 3.42Å; F381-G383 PolarHBondContact O-N 2.74Å; F381-G383 VanDerWaalsContact O-N 3.15Å
382	C	97.3	Very high	98.1	Very high	86 Å²	86	31.5 Å²	31.5	58%	0.581	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.1	29	-173.9	-60.4	0	0	0	0	114	P247 P380	P247-C382 WeakPolarHBondContact CB-O 3.31Å; P380-C382 PolarHBondContact O-N 2.94Å
383	G	97.8	Very high	98.1	Very high	3 Å²	3	35.7 Å²	35.7	3%	0.031	19%	0.191	C	C	.	.			trans	-72.9	172.7	171.8	0	0	0	0	0	112.8	F381 G385 A386	F381-G383 PolarHBondContact O-N 2.74Å; F381-G383 VanDerWaalsContact O-N 3.15Å; G383-G385 VanDerWaalsContact C-N 3.25Å; G383-G385 PolarHBondContact O-N 2.81Å; G383-A386 VanDerWaalsContact O-CB 3.3Å; G383-A386 WeakPolarHBondContact O-CB 3.41Å; G383-A386 PolarHBondContact O-N 2.87Å
384	V	98.5	Very high	98.1	Very high	10 Å²	10	43.4 Å²	43.4	6%	0.061	23%	0.227	C	C	.	.	H	α-helix	trans	-61	-38.4	-179.4	174.7	0	0	0	0	110.8	F325 L351 L354 E376 A386 E387 L388	F325-V384 HydrophobicContact CD1-CG1 4.36Å; F325-V384 HydrophobicContact CE1-CB 3.71Å; F325-V384 HydrophobicContact CE1-CG1 3.73Å; F325-V384 HydrophobicContact CE1-CG2 3.96Å; F325-V384 HydrophobicContact CZ-CB 4.01Å; F325-V384 HydrophobicContact CZ-CG1 4.44Å; F325-V384 HydrophobicContact CZ-CG2 3.81Å; L351-V384 HydrophobicContact CD1-CG1 4.35Å; L354-V384 HydrophobicContact CD1-CG2 3.91Å; L354-V384 HydrophobicContact CD2-CG1 3.77Å; L354-V384 HydrophobicContact CD2-CG2 4.36Å; E376-V384 PolarHBondContact OE1-N 2.9Å; E376-V384 PolarHBondContact OE2-N 2.77Å; V384-A386 PolarHBondContact O-N 3.13Å; V384-E387 PolarHBondContact O-N 3Å; V384-E387 VanDerWaalsContact O-N 3.12Å; V384-L388 HydrophobicContact CG1-CD1 4.22Å; V384-L388 HydrophobicContact CG1-CG 4.23Å; V384-L388 WeakPolarHBondContact O-CG 3.47Å; V384-L388 PolarHBondContact O-N 3.27Å
385	G	98.5	Very high	98	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.01	24%	0.235	C	C	.	.	H	α-helix	trans	-60.2	-26.9	177.1	0	0	0	0	0	113.4	E376 G383 C389 R407	E376-G385 WeakPolarHBondContact OE1-CA 3.39Å; E376-G385 PolarHBondContact OE1-N 3.03Å; G383-G385 VanDerWaalsContact C-N 3.25Å; G383-G385 PolarHBondContact O-N 2.81Å; G385-C389 PolarHBondContact O-N 3.48Å; G385-C389 PolarHBondContact O-SG 3.38Å; G385-R407 VanDerWaalsContact C-CD 3.49Å; G385-R407 WeakPolarHBondContact O-CD 3.33Å
386	A	98.5	Very high	98	Very high	33 Å²	33	48.9 Å²	48.9	27%	0.273	26%	0.258	S	S	.	.	H	α-helix	trans	-66.7	-45.6	174.8	0	0	0	0	0	111.6	G383 V384 C389 A390	G383-A386 VanDerWaalsContact O-CB 3.3Å; G383-A386 WeakPolarHBondContact O-CB 3.41Å; G383-A386 PolarHBondContact O-N 2.87Å; V384-A386 PolarHBondContact O-N 3.13Å; A386-C389 PolarHBondContact O-N 2.81Å; A386-A390 PolarHBondContact O-N 3.42Å
387	E	98.4	Very high	98	Very high	99 Å²	99	48.9 Å²	48.9	46%	0.463	26%	0.258	S	S	.	.	H	α-helix	trans	-65.1	-42.7	177.3	-179.2	60.8	-164.7	0	0	111.2	V384 C389 A390 Q391	V384-E387 PolarHBondContact O-N 3Å; V384-E387 VanDerWaalsContact O-N 3.12Å; E387-C389 VanDerWaalsContact C-N 3.33Å; E387-C389 PolarHBondContact O-N 2.79Å; E387-A390 PolarHBondContact O-N 2.96Å; E387-Q391 HydrophobicContact CG-CG 4.16Å; E387-Q391 WeakPolarHBondContact O-CB 3.24Å; E387-Q391 VanDerWaalsContact O-CG 3.25Å; E387-Q391 WeakPolarHBondContact O-CG 3.22Å; E387-Q391 PolarHBondContact O-N 2.89Å; E387-Q391 VanDerWaalsContact OE1-CG 3.31Å; E387-Q391 WeakPolarHBondContact OE1-CG 3.44Å; E387-Q391 PolarHBondContact OE1-NE2 2.85Å
388	L	98.5	Very high	98.2	Very high	4 Å²	4	53.1 Å²	53.1	2%	0.021	28%	0.276	C	S	.	.	H	α-helix	trans	-57.8	-45.1	175.1	-65.8	179.6	0	0	0	111.9	V323 L351 L357 I362 M372 T374 V384 V392	V323-L388 HydrophobicContact CB-CD1 4.39Å; V323-L388 HydrophobicContact CG1-CD1 3.86Å; L351-L388 HydrophobicContact CD1-CD1 4.2Å; L351-L388 HydrophobicContact CD1-CD2 4.49Å; L357-L388 HydrophobicContact CD1-CD2 3.87Å; L357-L388 HydrophobicContact CD2-CD2 3.6Å; L357-L388 HydrophobicContact CG-CD2 4.37Å; I362-L388 HydrophobicContact CD1-CD2 3.74Å; M372-L388 HydrophobicContact CE-CB 4.03Å; M372-L388 HydrophobicContact CE-CD1 4.48Å; T374-L388 HydrophobicContact CG2-CB 3.91Å; T374-L388 HydrophobicContact CG2-CD1 3.73Å; T374-L388 HydrophobicContact CG2-CG 4.48Å; V384-L388 HydrophobicContact CG1-CD1 4.22Å; V384-L388 HydrophobicContact CG1-CG 4.23Å; V384-L388 WeakPolarHBondContact O-CG 3.47Å; V384-L388 PolarHBondContact O-N 3.27Å; L388-V392 WeakPolarHBondContact O-CG2 3.38Å; L388-V392 PolarHBondContact O-N 3.23Å; L388-V392 VanDerWaalsContact O-N 3.11Å
389	C	98.6	Very high	98.2	Very high	18 Å²	18	59.7 Å²	59.7	12%	0.122	31%	0.31	C	S	.	.	H	α-helix	trans	-60	-47.3	175.7	-71.6	0	0	0	0	111.6	G385 A386 E387 V392 I393 I405	G385-C389 PolarHBondContact O-N 3.48Å; G385-C389 PolarHBondContact O-SG 3.38Å; A386-C389 PolarHBondContact O-N 2.81Å; E387-C389 VanDerWaalsContact C-N 3.33Å; E387-C389 PolarHBondContact O-N 2.79Å; C389-V392 PolarHBondContact O-N 3.15Å; C389-I393 WeakPolarHBondContact O-CB 3.47Å; C389-I393 WeakPolarHBondContact O-CD1 3.48Å; C389-I393 VanDerWaalsContact O-CG1 3.23Å; C389-I393 WeakPolarHBondContact O-CG1 3.46Å; C389-I393 PolarHBondContact O-N 2.91Å; C389-I405 HydrophobicContact CB-CD1 4.49Å; C389-I405 WeakPolarHBondContact SG-CG2 3.18Å
390	A	98.6	Very high	98.3	Very high	38 Å²	38	60.4 Å²	60.4	31%	0.314	31%	0.314	S	S	.	.	H	α-helix	trans	-61.6	-49.8	-179.5	0	0	0	0	0	111.6	A386 E387 V392 I393 E394	A386-A390 PolarHBondContact O-N 3.42Å; E387-A390 PolarHBondContact O-N 2.96Å; A390-V392 VanDerWaalsContact C-N 3.33Å; A390-V392 PolarHBondContact O-N 3.42Å; A390-I393 PolarHBondContact O-N 2.83Å; A390-E394 WeakPolarHBondContact O-CB 3.44Å; A390-E394 WeakPolarHBondContact O-CG 3.41Å; A390-E394 PolarHBondContact O-N 2.85Å
391	Q	98.3	Very high	98.3	Very high	62 Å²	62	60.5 Å²	60.5	29%	0.29	31%	0.313	S	S	.	.	H	α-helix	trans	-59.9	-39.5	-179.6	-70.8	-72.1	-28.7	0	0	112.7	L359 E387 S395	L359-Q391 HydrophobicContact CD1-CB 3.76Å; L359-Q391 HydrophobicContact CD2-CB 4.05Å; E387-Q391 HydrophobicContact CG-CG 4.16Å; E387-Q391 WeakPolarHBondContact O-CB 3.24Å; E387-Q391 VanDerWaalsContact O-CG 3.25Å; E387-Q391 WeakPolarHBondContact O-CG 3.22Å; E387-Q391 PolarHBondContact O-N 2.89Å; E387-Q391 VanDerWaalsContact OE1-CG 3.31Å; E387-Q391 WeakPolarHBondContact OE1-CG 3.44Å; E387-Q391 PolarHBondContact OE1-NE2 2.85Å; Q391-S395 VanDerWaalsContact O-CB 3.3Å; Q391-S395 WeakPolarHBondContact O-CB 3.43Å; Q391-S395 PolarHBondContact O-N 2.95Å
392	V	98.6	Very high	98.3	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-70.4	-43	177	173.5	0	0	0	0	111	L359 I362 V366 M372 L388 C389 A390 E394 S395 A397 L401 I405	L359-V392 HydrophobicContact CD1-CG2 4.37Å; I362-V392 HydrophobicContact CG2-CG2 3.89Å; V366-V392 HydrophobicContact CG1-CG1 4.38Å; M372-V392 HydrophobicContact CE-CG2 4.34Å; M372-V392 HydrophobicContact SD-CG2 3.9Å; L388-V392 WeakPolarHBondContact O-CG2 3.38Å; L388-V392 PolarHBondContact O-N 3.23Å; L388-V392 VanDerWaalsContact O-N 3.11Å; C389-V392 PolarHBondContact O-N 3.15Å; A390-V392 VanDerWaalsContact C-N 3.33Å; A390-V392 PolarHBondContact O-N 3.42Å; V392-E394 VanDerWaalsContact C-N 3.32Å; V392-E394 PolarHBondContact O-N 3.38Å; V392-S395 PolarHBondContact O-N 2.87Å; V392-S395 VanDerWaalsContact O-N 3.15Å; V392-S395 PolarHBondContact O-OG 3.11Å; V392-A397 HydrophobicContact CG1-CB 4.28Å; V392-L401 HydrophobicContact CG1-CD1 4.16Å; V392-I405 HydrophobicContact CB-CD1 3.67Å; V392-I405 HydrophobicContact CG1-CD1 3.63Å; V392-I405 HydrophobicContact CG2-CD1 4.46Å
393	I	98.5	Very high	98.4	Very high	88 Å²	88	55 Å²	55	45%	0.451	29%	0.287	S	S	.	.	H	α-helix	trans	-63.5	-36.6	178.1	-70.2	168	0	0	0	111.8	C389 A390 S395 F398 I405	C389-I393 WeakPolarHBondContact O-CB 3.47Å; C389-I393 WeakPolarHBondContact O-CD1 3.48Å; C389-I393 VanDerWaalsContact O-CG1 3.23Å; C389-I393 WeakPolarHBondContact O-CG1 3.46Å; C389-I393 PolarHBondContact O-N 2.91Å; A390-I393 PolarHBondContact O-N 2.83Å; I393-S395 PolarHBondContact O-N 3.39Å; I393-F398 HydrophobicContact CB-CD2 4.31Å; I393-F398 HydrophobicContact CG1-CD2 4.17Å; I393-F398 HydrophobicContact CG1-CE2 4.49Å; I393-F398 HydrophobicContact CG2-CD2 4.13Å; I393-F398 HydrophobicContact CG2-CE2 4.31Å; I393-F398 WeakPolarHBondContact O-CB 3.29Å; I393-I405 HydrophobicContact CG1-CD1 4.39Å
394	E	98.5	Very high	98.4	Very high	161 Å²	161	59.6 Å²	59.6	75%	0.752	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	3.4	177.6	-66.9	-176.5	152.6	0	0	113.6	A390 V392	A390-E394 WeakPolarHBondContact O-CB 3.44Å; A390-E394 WeakPolarHBondContact O-CG 3.41Å; A390-E394 PolarHBondContact O-N 2.85Å; V392-E394 VanDerWaalsContact C-N 3.32Å; V392-E394 PolarHBondContact O-N 3.38Å
395	S	98.2	Very high	98.4	Very high	26 Å²	26	60.1 Å²	60.1	18%	0.182	32%	0.318	C	S	.	.	S	Bend	trans	-109.2	174.1	-177.4	78.9	0	0	0	0	113.8	Q391 V392 I393 A397 F398	Q391-S395 VanDerWaalsContact O-CB 3.3Å; Q391-S395 WeakPolarHBondContact O-CB 3.43Å; Q391-S395 PolarHBondContact O-N 2.95Å; V392-S395 PolarHBondContact O-N 2.87Å; V392-S395 VanDerWaalsContact O-N 3.15Å; V392-S395 PolarHBondContact O-OG 3.11Å; I393-S395 PolarHBondContact O-N 3.39Å; S395-A397 PolarHBondContact O-N 3.45Å; S395-A397 PolarHBondContact OG-N 3.07Å; S395-F398 WeakPolarHBondContact O-CB 3.32Å; S395-F398 PolarHBondContact O-N 3.23Å
396	D	97.8	Very high	98.4	Very high	93 Å²	93	61.6 Å²	61.6	50%	0.497	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-2	173.7	70.4	-21.8	0	0	0	114.3	K367	K367-D396 WeakPolarHBondContact CE-OD1 3.22Å; K367-D396 IonicContact NZ-OD1 3.4Å; K367-D396 PolarHBondContact NZ-OD1 3.32Å; K367-D396 VanDerWaalsContact NZ-OD1 3.08Å; K367-D396 IonicContact NZ-OD2 3.63Å; K367-D396 PolarHBondContact NZ-OD2 3.03Å
397	A	98.3	Very high	98.4	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-15.4	172	0	0	0	0	0	113.1	K363 V366 K367 V392 S395 D399 Y400	K363-A397 HydrophobicContact CB-CB 3.99Å; K363-A397 HydrophobicContact CG-CB 3.92Å; V366-A397 HydrophobicContact CB-CB 4.41Å; V366-A397 HydrophobicContact CG1-CB 4.23Å; K367-A397 HydrophobicContact CG-CB 4.21Å; V392-A397 HydrophobicContact CG1-CB 4.28Å; S395-A397 PolarHBondContact O-N 3.45Å; S395-A397 PolarHBondContact OG-N 3.07Å; A397-D399 VanDerWaalsContact C-N 3.33Å; A397-D399 PolarHBondContact O-N 2.85Å; A397-Y400 WeakPolarHBondContact O-CB 3.35Å; A397-Y400 PolarHBondContact O-N 3.01Å; A397-Y400 VanDerWaalsContact O-N 3.09Å
398	F	98.7	Very high	98.4	Very high	101 Å²	101	60.6 Å²	60.6	44%	0.443	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-57.1	-44.5	-178.1	174.8	-110.2	0	0	0	112.7	I393 S395 Y400 L401	I393-F398 HydrophobicContact CB-CD2 4.31Å; I393-F398 HydrophobicContact CG1-CD2 4.17Å; I393-F398 HydrophobicContact CG1-CE2 4.49Å; I393-F398 HydrophobicContact CG2-CD2 4.13Å; I393-F398 HydrophobicContact CG2-CE2 4.31Å; I393-F398 WeakPolarHBondContact O-CB 3.29Å; S395-F398 WeakPolarHBondContact O-CB 3.32Å; S395-F398 PolarHBondContact O-N 3.23Å; F398-Y400 PolarHBondContact O-N 2.8Å; F398-Y400 VanDerWaalsContact O-N 3.08Å; F398-L401 HydrophobicContact CD2-CD1 4.3Å; F398-L401 WeakPolarHBondContact O-CB 3.45Å; F398-L401 PolarHBondContact O-N 3.46Å; F398-L401 VanDerWaalsContact O-N 3.08Å
399	D	98.3	Very high	98.4	Very high	143 Å²	143	61.8 Å²	61.8	77%	0.765	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-67.5	-8.8	-178.9	-68.1	-30.1	0	0	0	113.8	A397	A397-D399 VanDerWaalsContact C-N 3.33Å; A397-D399 PolarHBondContact O-N 2.85Å
400	Y	98.6	Very high	98.4	Very high	112 Å²	112	61.1 Å²	61.1	44%	0.439	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-95.5	-7.6	176.4	-69.5	-105.1	0	0	0	112.9	K367 N370 A397 F398 D402	K367-Y400 HydrophobicContact CB-CD1 3.91Å; K367-Y400 HydrophobicContact CB-CE1 4.2Å; K367-Y400 HydrophobicContact CB-CG 4.1Å; K367-Y400 HydrophobicContact CD-CD2 4.49Å; K367-Y400 HydrophobicContact CD-CE2 4.31Å; K367-Y400 HydrophobicContact CG-CD1 4.02Å; K367-Y400 HydrophobicContact CG-CD2 3.74Å; K367-Y400 HydrophobicContact CG-CE1 4.26Å; K367-Y400 HydrophobicContact CG-CE2 4Å; K367-Y400 HydrophobicContact CG-CG 3.76Å; K367-Y400 WeakPolarHBondContact O-CD1 3.49Å; N370-Y400 VanDerWaalsContact CA-O 3.29Å; N370-Y400 WeakPolarHBondContact CA-O 3.39Å; N370-Y400 VanDerWaalsContact CB-O 3.29Å; N370-Y400 WeakPolarHBondContact CB-O 3.04Å; N370-Y400 PolarHBondContact ND2-O 3.36Å; A397-Y400 WeakPolarHBondContact O-CB 3.35Å; A397-Y400 PolarHBondContact O-N 3.01Å; A397-Y400 VanDerWaalsContact O-N 3.09Å; F398-Y400 PolarHBondContact O-N 2.8Å; F398-Y400 VanDerWaalsContact O-N 3.08Å; Y400-D402 PolarHBondContact O-N 3.01Å
401	L	98.7	Very high	98.3	Very high	31 Å²	31	62.7 Å²	62.7	16%	0.162	32%	0.322	C	S	.	.			trans	-77.2	120.6	-178.6	-74.3	168.3	0	0	0	111.7	V366 N370 V392 F398 I405	V366-L401 HydrophobicContact CG1-CD2 3.57Å; V366-L401 HydrophobicContact CG1-CG 3.99Å; N370-L401 CarbonylContact O-C 3.57Å; N370-L401 WeakPolarHBondContact O-CA 3.47Å; V392-L401 HydrophobicContact CG1-CD1 4.16Å; F398-L401 HydrophobicContact CD2-CD1 4.3Å; F398-L401 WeakPolarHBondContact O-CB 3.45Å; F398-L401 PolarHBondContact O-N 3.46Å; F398-L401 VanDerWaalsContact O-N 3.08Å; L401-I405 HydrophobicContact CD1-CD1 4.01Å; L401-I405 HydrophobicContact CD1-CG1 3.82Å; L401-I405 HydrophobicContact CD2-CG1 4.18Å
402	D	98.4	Very high	98.3	Very high	117 Å²	117	65 Å²	65	63%	0.626	34%	0.337	S	S	*	.	S	Bend	trans	-88.1	-8.4	174.5	-75	-20.9	0	0	0	112.7	N370 Y400	N370-D402 HydrophobicContact CB-CB 4.1Å; N370-D402 WeakPolarHBondContact CB-OD2 3.32Å; N370-D402 PolarHBondContact O-N 3.23Å; Y400-D402 PolarHBondContact O-N 3.01Å
403	A	98.2	Very high	98.3	Very high	15 Å²	15	68 Å²	68	12%	0.124	35%	0.354	C	S	.	.	S	Bend	trans	-151	157.7	175.8	0	0	0	0	0	111.1	H371 S439	H371-A403 WeakPolarHBondContact ND1-CB 3.29Å; A403-S439 WeakPolarHBondContact CB-O 3.26Å
404	P	98.2	Very high	98.3	Very high	99 Å²	99	68.2 Å²	68.2	64%	0.643	36%	0.362	S	S	*	.			trans	-60.5	145.4	173.7	26.7	-35.7	0	0	0	111.3	L406	P404-L406 HydrophobicContact CG-CD2 4.43Å; P404-L406 PolarHBondContact O-N 3.2Å
405	I	98.6	Very high	98.2	Very high	21 Å²	21	61.7 Å²	61.7	11%	0.108	33%	0.332	C	S	.	.			trans	-64.9	127.1	172.6	-50.5	172.4	0	0	0	108.6	M372 T374 C389 V392 I393 L401	M372-I405 HydrophobicContact CB-CG1 4.27Å; M372-I405 HydrophobicContact CB-CG2 4.02Å; M372-I405 HydrophobicContact CG-CG2 3.94Å; M372-I405 HydrophobicContact SD-CD1 4.4Å; M372-I405 HydrophobicContact SD-CG2 4.32Å; T374-I405 HydrophobicContact CG2-CG2 4.41Å; C389-I405 HydrophobicContact CB-CD1 4.49Å; C389-I405 WeakPolarHBondContact SG-CG2 3.18Å; V392-I405 HydrophobicContact CB-CD1 3.67Å; V392-I405 HydrophobicContact CG1-CD1 3.63Å; V392-I405 HydrophobicContact CG2-CD1 4.46Å; I393-I405 HydrophobicContact CG1-CD1 4.39Å; L401-I405 HydrophobicContact CD1-CD1 4.01Å; L401-I405 HydrophobicContact CD1-CG1 3.82Å; L401-I405 HydrophobicContact CD2-CG1 4.18Å
406	L	98.5	Very high	98.2	Very high	32 Å²	32	62 Å²	62	17%	0.168	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	152.4	178.7	-57.5	-179.3	0	0	0	110.7	M372 V373 T374 P404 V435 K438	M372-L406 PolarHBondContact O-N 2.82Å; V373-L406 CarbonylContact C-O 3.57Å; V373-L406 VanDerWaalsContact CA-O 3.26Å; V373-L406 WeakPolarHBondContact CA-O 3.42Å; V373-L406 HydrophobicContact CG2-CB 4.43Å; T374-L406 PolarHBondContact N-O 2.87Å; P404-L406 HydrophobicContact CG-CD2 4.43Å; P404-L406 PolarHBondContact O-N 3.2Å; L406-V435 HydrophobicContact CB-CG1 3.46Å; L406-V435 VanDerWaalsContact CB-CG1 3.46Å; L406-V435 HydrophobicContact CD1-CG1 3.77Å; L406-V435 HydrophobicContact CG-CG1 4.27Å; L406-K438 HydrophobicContact CD1-CB 4.26Å; L406-K438 HydrophobicContact CD1-CD 4.08Å; L406-K438 HydrophobicContact CD1-CG 4.1Å
407	R	98.7	Very high	98.2	Very high	102 Å²	102	66 Å²	66	39%	0.385	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	137.3	-178.3	-53.9	-169.6	-68.7	145.7	1.6	110.6	T374 P380 G385	T374-R407 WeakPolarHBondContact OG1-CG 3.49Å; P380-R407 PolarHBondContact O-NH1 3.48Å; P380-R407 PolarHBondContact O-NH2 3.02Å; G385-R407 VanDerWaalsContact C-CD 3.49Å; G385-R407 WeakPolarHBondContact O-CD 3.33Å
408	V	98.7	Very high	98.1	Very high	9 Å²	9	68 Å²	68	6%	0.055	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	123	167.1	-176.5	0	0	0	0	106.7	V373 T374 V375 E376 P427 D431 V432 V435	V373-V408 HydrophobicContact CG1-CG2 3.96Å; T374-V408 PolarHBondContact O-N 3.04Å; V375-V408 VanDerWaalsContact CA-O 3.3Å; V375-V408 WeakPolarHBondContact CA-O 3.46Å; V375-V408 HydrophobicContact CB-CB 4.49Å; V375-V408 HydrophobicContact CG1-CB 4.2Å; V375-V408 HydrophobicContact CG1-CG1 4.26Å; V375-V408 HydrophobicContact CG2-CB 4.21Å; V375-V408 HydrophobicContact CG2-CG2 4.49Å; E376-V408 PolarHBondContact N-O 2.95Å; V408-P427 HydrophobicContact CG1-CB 3.78Å; V408-P427 HydrophobicContact CG1-CG 4.18Å; V408-D431 HydrophobicContact CG1-CB 4.16Å; V408-V432 HydrophobicContact CG1-CG2 4.34Å; V408-V435 HydrophobicContact CG2-CB 3.81Å; V408-V435 HydrophobicContact CG2-CG1 4Å; V408-V435 HydrophobicContact CG2-CG2 3.79Å
409	S	98.4	Very high	97.9	Very high	29 Å²	29	67.7 Å²	67.7	20%	0.203	36%	0.362	C	S	.	.			trans	-139	173.3	-175.9	66.6	0	0	0	0	110.7	E376 P380 P427	E376-S409 CarbonylContact O-C 3.55Å; E376-S409 VanDerWaalsContact O-CA 3.23Å; E376-S409 WeakPolarHBondContact O-CA 3.37Å; P380-S409 VanDerWaalsContact CB-OG 3.31Å; P380-S409 WeakPolarHBondContact CB-OG 3.35Å; S409-P427 VanDerWaalsContact C-CG 3.48Å; S409-P427 WeakPolarHBondContact O-CG 3.4Å
410	G	97.7	Very high	97.8	Very high	4 Å²	4	66.1 Å²	66.1	4%	0.041	35%	0.353	C	S	.	.			trans	-55.2	155.9	159.4	0	0	0	0	0	111.4	E376 N377 G378 P380 A425	E376-G410 PolarHBondContact O-N 3.31Å; N377-G410 WeakPolarHBondContact O-CA 3.43Å; N377-G410 PolarHBondContact O-N 3.1Å; G378-G410 PolarHBondContact O-N 3.19Å; P380-G410 WeakPolarHBondContact CD-O 3.38Å; G410-A425 WeakPolarHBondContact CA-O 3.35Å
411	V	97.4	Very high	97.7	Very high	72 Å²	72	65.2 Å²	65.2	44%	0.436	36%	0.356	S	S	.	.			trans	-72.4	146	173.7	179.8	0	0	0	0	109.1	V413 A424 A425	V411-V413 HydrophobicContact CB-CG2 4.24Å; V411-V413 HydrophobicContact CG1-CG1 4.24Å; V411-V413 HydrophobicContact CG1-CG2 4.07Å; V411-V413 PolarHBondContact O-N 3.14Å; V411-A424 WeakPolarHBondContact CG2-O 3.49Å; V411-A425 HydrophobicContact CB-CB 4.49Å; V411-A425 PolarHBondContact N-O 2.79Å
412	D	97.8	Very high	97.6	Very high	111 Å²	111	64.1 Å²	64.1	59%	0.594	35%	0.35	S	S	*	.	S	Bend	trans	-75.5	63.1	-177.3	-161.9	15.3	0	0	0	112.4	P380	P380-D412 HydrophobicContact CG-CB 3.76Å
413	V	97.7	Very high	97.4	Very high	61 Å²	61	62 Å²	62	37%	0.37	34%	0.341	S	S	.	.	S	Bend	trans	-143.9	152.2	178.4	-64.6	0	0	0	0	110	W379 V411 A425	W379-V413 PolarHBondContact NE1-O 3.34Å; V411-V413 HydrophobicContact CB-CG2 4.24Å; V411-V413 HydrophobicContact CG1-CG1 4.24Å; V411-V413 HydrophobicContact CG1-CG2 4.07Å; V411-V413 PolarHBondContact O-N 3.14Å; V413-A425 HydrophobicContact CG2-CB 4.37Å
414	P	98.1	Very high	97.3	Very high	94 Å²	94	64.7 Å²	64.7	61%	0.61	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-57	140.3	161	-20.3	32.5	0	0	0	110.2	A239 P416	A239-P414 HydrophobicContact CB-CB 3.77Å; P414-P416 WeakPolarHBondContact O-CD 3.37Å
415	M	98	Very high	97.3	Very high	23 Å²	23	60.3 Å²	60.3	11%	0.113	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-61.2	119.7	-174.6	-170.5	62.1	61.8	0	0	111.3	P233 G238 A239 S242 E422 A425 Q426	P233-M415 HydrophobicContact CB-CE 3.96Å; G238-M415 CarbonylContact C-O 3.59Å; A239-M415 WeakPolarHBondContact CA-O 3.48Å; A239-M415 PolarHBondContact N-O 3.23Å; A239-M415 VanDerWaalsContact N-O 3.11Å; S242-M415 VanDerWaalsContact CB-CB 3.44Å; S242-M415 WeakPolarHBondContact OG-CG 3.28Å; M415-E422 HydrophobicContact CG-CG 4.35Å; M415-E422 HydrophobicContact SD-CB 4.47Å; M415-E422 HydrophobicContact SD-CG 3.85Å; M415-A425 HydrophobicContact CE-CB 4.46Å; M415-A425 HydrophobicContact SD-CB 3.88Å; M415-Q426 HydrophobicContact CE-CG 3.79Å; M415-Q426 HydrophobicContact SD-CG 4.29Å
416	P	97.4	Very high	97.2	Very high	32 Å²	32	60.4 Å²	60.4	21%	0.208	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-76.5	150.3	177.2	31.5	-34.9	0	0	0	111.4	P414 L421 A425	P414-P416 WeakPolarHBondContact O-CD 3.37Å; P416-L421 HydrophobicContact CB-CB 3.72Å; P416-L421 HydrophobicContact CB-CD1 4.25Å; P416-L421 VanDerWaalsContact CG-C 3.45Å; P416-L421 HydrophobicContact CG-CB 3.46Å; P416-L421 VanDerWaalsContact CG-CB 3.46Å; P416-A425 HydrophobicContact CG-CB 4.33Å
417	Y	97.1	Very high	97.1	Very high	179 Å²	179	59.2 Å²	59.2	70%	0.702	33%	0.329	S	S	*	.	S	Bend	trans	-76.1	-38.3	178.4	170.1	-106	0	0	0	113.6	G236 N419	G236-Y417 VanDerWaalsContact O-CD2 3.29Å; G236-Y417 WeakPolarHBondContact O-CD2 3.38Å; G236-Y417 WeakPolarHBondContact O-CE2 3.4Å; Y417-N419 PolarHBondContact O-N 3.12Å
418	A	96.5	Very high	97	Very high	40 Å²	40	57.1 Å²	57.1	33%	0.331	33%	0.328	S	S	.	.	S	Bend	trans	-63.4	123.7	-174.7	0	0	0	0	0	110.4	N420 L421 E422	A418-N420 VanDerWaalsContact C-N 3.26Å; A418-N420 WeakPolarHBondContact CB-OD1 3.49Å; A418-N420 PolarHBondContact O-N 2.96Å; A418-N420 VanDerWaalsContact O-N 3.09Å; A418-L421 HydrophobicContact CB-CB 4.43Å; A418-L421 HydrophobicContact CB-CD1 4.18Å; A418-L421 HydrophobicContact CB-CG 4.22Å; A418-L421 CarbonylContact O-C 3.51Å; A418-L421 WeakPolarHBondContact O-CA 3.37Å; A418-L421 WeakPolarHBondContact O-CB 3.38Å; A418-L421 PolarHBondContact O-N 3.47Å; A418-E422 PolarHBondContact O-N 3.14Å
419	N	94.9	Very high	97	Very high	96 Å²	96	58.6 Å²	58.6	51%	0.513	34%	0.337	S	S	.	.	H	α-helix	trans	-50.5	-40.6	-171.3	174.8	-95.8	0	0	0	114.3	Y417 L421 E422 T423	Y417-N419 PolarHBondContact O-N 3.12Å; N419-L421 VanDerWaalsContact C-N 3.33Å; N419-L421 PolarHBondContact O-N 2.89Å; N419-E422 PolarHBondContact O-N 2.67Å; N419-T423 WeakPolarHBondContact O-CB 3.47Å; N419-T423 PolarHBondContact O-N 3.19Å; N419-T423 PolarHBondContact O-OG1 3.04Å
420	N	96.1	Very high	97	Very high	110 Å²	110	60.3 Å²	60.3	59%	0.588	35%	0.353	S	S	*	.	H	α-helix	trans	-64.9	-36.3	177.3	64.7	-40.6	0	0	0	112.7	A418 A424	A418-N420 VanDerWaalsContact C-N 3.26Å; A418-N420 WeakPolarHBondContact CB-OD1 3.49Å; A418-N420 PolarHBondContact O-N 2.96Å; A418-N420 VanDerWaalsContact O-N 3.09Å; N420-A424 WeakPolarHBondContact O-CB 3.41Å; N420-A424 PolarHBondContact O-N 3.48Å
421	L	97.5	Very high	97	Very high	93 Å²	93	62.3 Å²	62.3	49%	0.487	36%	0.362	S	S	.	.	H	α-helix	trans	-79	-38.6	176.8	-58.6	-178	0	0	0	111.4	P416 A418 N419 A424 A425	P416-L421 HydrophobicContact CB-CB 3.72Å; P416-L421 HydrophobicContact CB-CD1 4.25Å; P416-L421 VanDerWaalsContact CG-C 3.45Å; P416-L421 HydrophobicContact CG-CB 3.46Å; P416-L421 VanDerWaalsContact CG-CB 3.46Å; A418-L421 HydrophobicContact CB-CB 4.43Å; A418-L421 HydrophobicContact CB-CD1 4.18Å; A418-L421 HydrophobicContact CB-CG 4.22Å; A418-L421 CarbonylContact O-C 3.51Å; A418-L421 WeakPolarHBondContact O-CA 3.37Å; A418-L421 WeakPolarHBondContact O-CB 3.38Å; A418-L421 PolarHBondContact O-N 3.47Å; N419-L421 VanDerWaalsContact C-N 3.33Å; N419-L421 PolarHBondContact O-N 2.89Å; L421-A424 PolarHBondContact O-N 3.35Å; L421-A425 WeakPolarHBondContact O-CB 3.41Å; L421-A425 PolarHBondContact O-N 2.82Å
422	E	96.6	Very high	97.1	Very high	8 Å²	8	58.9 Å²	58.9	4%	0.037	34%	0.342	C	S	.	.	H	α-helix	trans	-60.6	-47	176.1	-178.6	175.7	-127.1	0	0	110.5	G236 M415 A418 N419 A424 A425 Q426	G236-E422 PolarHBondContact N-OE1 3.46Å; G236-E422 PolarHBondContact N-OE2 3.41Å; M415-E422 HydrophobicContact CG-CG 4.35Å; M415-E422 HydrophobicContact SD-CB 4.47Å; M415-E422 HydrophobicContact SD-CG 3.85Å; A418-E422 PolarHBondContact O-N 3.14Å; N419-E422 PolarHBondContact O-N 2.67Å; E422-A424 VanDerWaalsContact C-N 3.32Å; E422-A424 PolarHBondContact O-N 3.41Å; E422-A425 PolarHBondContact O-N 2.91Å; E422-A425 VanDerWaalsContact O-N 3.13Å; E422-Q426 PolarHBondContact O-N 2.74Å
423	T	94.2	Very high	97.1	Very high	72 Å²	72	54.7 Å²	54.7	44%	0.442	32%	0.319	S	S	.	.	H	α-helix	trans	-60	-42.7	175.5	-57.8	0	0	0	0	111.3	N419 A425 Q426	N419-T423 WeakPolarHBondContact O-CB 3.47Å; N419-T423 PolarHBondContact O-N 3.19Å; N419-T423 PolarHBondContact O-OG1 3.04Å; T423-A425 VanDerWaalsContact C-N 3.26Å; T423-A425 PolarHBondContact O-N 2.84Å; T423-Q426 PolarHBondContact O-N 2.99Å
424	A	95.9	Very high	97.1	Very high	72 Å²	72	58.9 Å²	58.9	60%	0.595	33%	0.328	S	S	*	.	H	α-helix	trans	-71.6	-19.7	178.6	0	0	0	0	0	113.6	V411 N420 L421 E422	V411-A424 WeakPolarHBondContact CG2-O 3.49Å; N420-A424 WeakPolarHBondContact O-CB 3.41Å; N420-A424 PolarHBondContact O-N 3.48Å; L421-A424 PolarHBondContact O-N 3.35Å; E422-A424 VanDerWaalsContact C-N 3.32Å; E422-A424 PolarHBondContact O-N 3.41Å
425	A	97.1	Very high	97.1	Very high	6 Å²	6	55 Å²	55	5%	0.05	30%	0.303	C	S	.	.	H	α-helix	trans	-84.7	-13.5	179.3	0	0	0	0	0	113.3	G410 V411 V413 M415 P416 L421 E422 T423	G410-A425 WeakPolarHBondContact CA-O 3.35Å; V411-A425 HydrophobicContact CB-CB 4.49Å; V411-A425 PolarHBondContact N-O 2.79Å; V413-A425 HydrophobicContact CG2-CB 4.37Å; M415-A425 HydrophobicContact CE-CB 4.46Å; M415-A425 HydrophobicContact SD-CB 3.88Å; P416-A425 HydrophobicContact CG-CB 4.33Å; L421-A425 WeakPolarHBondContact O-CB 3.41Å; L421-A425 PolarHBondContact O-N 2.82Å; E422-A425 PolarHBondContact O-N 2.91Å; E422-A425 VanDerWaalsContact O-N 3.13Å; T423-A425 VanDerWaalsContact C-N 3.26Å; T423-A425 PolarHBondContact O-N 2.84Å
426	Q	96.5	Very high	97.2	Very high	23 Å²	23	53.9 Å²	53.9	11%	0.107	30%	0.297	C	S	.	.	S	Bend	trans	-111	148.4	-177.5	-64.2	-176.3	46.1	0	0	111.7	P233 M415 E422 T423 V428	P233-Q426 HydrophobicContact CG-CG 4.45Å; M415-Q426 HydrophobicContact CE-CG 3.79Å; M415-Q426 HydrophobicContact SD-CG 4.29Å; E422-Q426 PolarHBondContact O-N 2.74Å; T423-Q426 PolarHBondContact O-N 2.99Å; Q426-V428 PolarHBondContact O-N 3.08Å
427	P	97.3	Very high	97.2	Very high	7 Å²	7	54.9 Å²	54.9	5%	0.045	30%	0.298	C	S	.	.			trans	-58.8	133.1	171.4	-22.7	32.2	0	0	0	112.3	M328 E376 V408 S409	M328-P427 HydrophobicContact SD-CB 3.8Å; M328-P427 HydrophobicContact SD-CG 3.92Å; E376-P427 VanDerWaalsContact O-CG 3.32Å; E376-P427 WeakPolarHBondContact O-CG 3.43Å; V408-P427 HydrophobicContact CG1-CB 3.78Å; V408-P427 HydrophobicContact CG1-CG 4.18Å; S409-P427 VanDerWaalsContact C-CG 3.48Å; S409-P427 WeakPolarHBondContact O-CG 3.4Å
428	V	96.8	Very high	97.2	Very high	58 Å²	58	53.3 Å²	53.3	35%	0.352	30%	0.295	S	S	.	.			trans	-117.6	166.9	168.6	-62.6	0	0	0	0	111.2	Q426 A430 D431 V432	Q426-V428 PolarHBondContact O-N 3.08Å; V428-A430 HydrophobicContact CG2-CB 4.19Å; V428-A430 PolarHBondContact O-N 3.01Å; V428-A430 VanDerWaalsContact O-N 3.12Å; V428-D431 VanDerWaalsContact CG2-OD2 3.28Å; V428-D431 WeakPolarHBondContact CG2-OD2 3.29Å; V428-D431 PolarHBondContact N-OD2 3.4Å; V428-D431 WeakPolarHBondContact O-CB 3.12Å; V428-D431 PolarHBondContact O-N 2.85Å; V428-V432 PolarHBondContact O-N 2.74Å
429	V	98.2	Very high	97.3	Very high	41 Å²	41	51.6 Å²	51.6	25%	0.248	28%	0.28	C	S	.	.	H	α-helix	trans	-49.9	-41	179.1	174.2	0	0	0	0	111.9	V331 D334 A335 D431 V432 I433	V331-V429 HydrophobicContact CG1-CG2 4.07Å; D334-V429 HydrophobicContact CB-CG2 3.75Å; A335-V429 HydrophobicContact CB-CG1 4.06Å; V429-D431 VanDerWaalsContact C-N 3.32Å; V429-D431 PolarHBondContact O-N 2.97Å; V429-V432 PolarHBondContact O-N 2.74Å; V429-I433 HydrophobicContact CG1-CD1 3.79Å; V429-I433 HydrophobicContact CG1-CG1 4.38Å; V429-I433 WeakPolarHBondContact O-CG1 3.45Å; V429-I433 PolarHBondContact O-N 2.95Å
430	A	97.8	Very high	97.5	Very high	65 Å²	65	48.8 Å²	48.8	54%	0.537	27%	0.265	S	S	.	.	H	α-helix	trans	-62.6	-34.3	179.5	0	0	0	0	0	113.5	V428 R434	V428-A430 HydrophobicContact CG2-CB 4.19Å; V428-A430 PolarHBondContact O-N 3.01Å; V428-A430 VanDerWaalsContact O-N 3.12Å; A430-R434 VanDerWaalsContact O-CB 3.25Å; A430-R434 WeakPolarHBondContact O-CB 3.18Å; A430-R434 PolarHBondContact O-N 3.49Å
431	D	98.1	Very high	97.5	Very high	46 Å²	46	50.4 Å²	50.4	25%	0.246	27%	0.274	C	S	.	.	H	α-helix	trans	-68.9	-42.8	176.8	-70.9	-57	0	0	0	111.8	V408 V428 V429 R434 V435	V408-D431 HydrophobicContact CG1-CB 4.16Å; V428-D431 VanDerWaalsContact CG2-OD2 3.28Å; V428-D431 WeakPolarHBondContact CG2-OD2 3.29Å; V428-D431 PolarHBondContact N-OD2 3.4Å; V428-D431 WeakPolarHBondContact O-CB 3.12Å; V428-D431 PolarHBondContact O-N 2.85Å; V429-D431 VanDerWaalsContact C-N 3.32Å; V429-D431 PolarHBondContact O-N 2.97Å; D431-R434 PolarHBondContact O-N 2.53Å; D431-R434 IonicContact OD1-CZ 2.7Å; D431-R434 IonicContact OD1-NE 3.63Å; D431-R434 IonicContact OD1-NH2 3.64Å; D431-R434 PolarHBondContact OD1-NH2 3.45Å; D431-V435 WeakPolarHBondContact O-CG2 3.39Å; D431-V435 PolarHBondContact O-N 3.37Å
432	V	98.6	Very high	97.3	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-60.8	-49	176.2	-178.5	0	0	0	0	110.2	L322 V331 A335 V375 V408 V428 V429 R434 V435 V436	L322-V432 HydrophobicContact CD1-CG1 4.07Å; L322-V432 HydrophobicContact CD2-CG1 4.26Å; V331-V432 HydrophobicContact CG1-CG2 3.94Å; A335-V432 HydrophobicContact CB-CB 3.82Å; A335-V432 HydrophobicContact CB-CG1 3.63Å; V375-V432 HydrophobicContact CG1-CG2 3.99Å; V375-V432 HydrophobicContact CG2-CG1 4.33Å; V375-V432 HydrophobicContact CG2-CG2 4.04Å; V408-V432 HydrophobicContact CG1-CG2 4.34Å; V428-V432 PolarHBondContact O-N 2.74Å; V429-V432 PolarHBondContact O-N 2.74Å; V432-R434 VanDerWaalsContact C-N 3.34Å; V432-R434 PolarHBondContact O-N 3.24Å; V432-V435 PolarHBondContact O-N 3.42Å; V432-V436 HydrophobicContact CG1-CG2 4.37Å; V432-V436 WeakPolarHBondContact O-CB 3.37Å; V432-V436 WeakPolarHBondContact O-CG2 3.18Å; V432-V436 PolarHBondContact O-N 3.17Å
433	I	98.6	Very high	96.4	Very high	23 Å²	23	60.9 Å²	60.9	12%	0.118	32%	0.317	C	S	.	.	H	α-helix	trans	-58.3	-46.3	177.1	-65.3	170.4	0	0	0	110.9	A335 E338 L339 V429 V435 V436 K437	A335-I433 HydrophobicContact CB-CG1 4.09Å; E338-I433 HydrophobicContact CB-CD1 3.68Å; E338-I433 HydrophobicContact CG-CD1 4.27Å; L339-I433 HydrophobicContact CD2-CG2 4.14Å; L339-I433 HydrophobicContact CG-CG1 4.22Å; V429-I433 HydrophobicContact CG1-CD1 3.79Å; V429-I433 HydrophobicContact CG1-CG1 4.38Å; V429-I433 WeakPolarHBondContact O-CG1 3.45Å; V429-I433 PolarHBondContact O-N 2.95Å; I433-V435 VanDerWaalsContact C-N 3.34Å; I433-V435 PolarHBondContact O-N 3.02Å; I433-V436 PolarHBondContact O-N 2.93Å; I433-K437 HydrophobicContact CG2-CD 4.39Å; I433-K437 HydrophobicContact CG2-CG 4.47Å; I433-K437 WeakPolarHBondContact O-CB 3.19Å; I433-K437 WeakPolarHBondContact O-CG 3.35Å; I433-K437 PolarHBondContact O-N 3Å
434	R	98.3	Very high	96.5	Very high	149 Å²	149	60.4 Å²	60.4	56%	0.562	31%	0.311	S	S	*	.	H	α-helix	trans	-59.2	-43.9	179	177	178.4	59.5	83.4	-0.2	111.8	A430 D431 V432 K438	A430-R434 VanDerWaalsContact O-CB 3.25Å; A430-R434 WeakPolarHBondContact O-CB 3.18Å; A430-R434 PolarHBondContact O-N 3.49Å; D431-R434 PolarHBondContact O-N 2.53Å; D431-R434 IonicContact OD1-CZ 2.7Å; D431-R434 IonicContact OD1-NE 3.63Å; D431-R434 IonicContact OD1-NH2 3.64Å; D431-R434 PolarHBondContact OD1-NH2 3.45Å; V432-R434 VanDerWaalsContact C-N 3.34Å; V432-R434 PolarHBondContact O-N 3.24Å; R434-K438 PolarHBondContact O-N 3.31Å; R434-K438 VanDerWaalsContact O-N 3.08Å
435	V	98.5	Very high	96.6	Very high	12 Å²	12	59.7 Å²	59.7	7%	0.073	30%	0.296	C	S	.	.	H	α-helix	trans	-72.9	-37.8	180	172.9	0	0	0	0	111.9	V373 L406 V408 D431 V432 I433 K438 S439	V373-V435 HydrophobicContact CG1-CG1 3.71Å; V373-V435 HydrophobicContact CG2-CG1 4.1Å; L406-V435 HydrophobicContact CB-CG1 3.46Å; L406-V435 VanDerWaalsContact CB-CG1 3.46Å; L406-V435 HydrophobicContact CD1-CG1 3.77Å; L406-V435 HydrophobicContact CG-CG1 4.27Å; V408-V435 HydrophobicContact CG2-CB 3.81Å; V408-V435 HydrophobicContact CG2-CG1 4Å; V408-V435 HydrophobicContact CG2-CG2 3.79Å; D431-V435 WeakPolarHBondContact O-CG2 3.39Å; D431-V435 PolarHBondContact O-N 3.37Å; V432-V435 PolarHBondContact O-N 3.42Å; I433-V435 VanDerWaalsContact C-N 3.34Å; I433-V435 PolarHBondContact O-N 3.02Å; V435-K438 WeakPolarHBondContact O-CB 3.24Å; V435-K438 PolarHBondContact O-N 2.83Å; V435-S439 PolarHBondContact O-N 3.49Å
436	V	98.7	Very high	96.6	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-61.2	-48	172.4	167.9	0	0	0	0	111.1	V320 L322 L339 V344 V373 V432 I433 K438 S439 L440	V320-V436 HydrophobicContact CG1-CG1 3.85Å; V320-V436 HydrophobicContact CG1-CG2 4.37Å; L322-V436 HydrophobicContact CD2-CG2 3.67Å; L339-V436 HydrophobicContact CD1-CB 4.05Å; L339-V436 HydrophobicContact CD1-CG1 3.78Å; L339-V436 HydrophobicContact CD1-CG2 4.01Å; L339-V436 HydrophobicContact CD2-CB 4.28Å; L339-V436 HydrophobicContact CD2-CG1 3.8Å; L339-V436 HydrophobicContact CG-CG1 4.47Å; V344-V436 HydrophobicContact CG1-CG1 4.22Å; V373-V436 HydrophobicContact CG2-CG2 4.19Å; V432-V436 HydrophobicContact CG1-CG2 4.37Å; V432-V436 WeakPolarHBondContact O-CB 3.37Å; V432-V436 WeakPolarHBondContact O-CG2 3.18Å; V432-V436 PolarHBondContact O-N 3.17Å; I433-V436 PolarHBondContact O-N 2.93Å; V436-K438 VanDerWaalsContact C-N 3.25Å; V436-K438 PolarHBondContact O-N 2.85Å; V436-S439 WeakPolarHBondContact O-CB 3.44Å; V436-S439 PolarHBondContact O-N 3.32Å; V436-L440 HydrophobicContact CG1-CD1 3.79Å; V436-L440 HydrophobicContact CG1-CG 4.36Å; V436-L440 WeakPolarHBondContact O-CG 3.41Å; V436-L440 PolarHBondContact O-N 3.4Å
437	K	98.2	Very high	96.6	Very high	53 Å²	53	65.1 Å²	65.1	23%	0.23	32%	0.322	C	S	.	.	H	α-helix	trans	-56.6	-41.8	175.3	-77	-173.1	169.6	-154.9	0	111.9	I433 L440 N441 M442 K443	I433-K437 HydrophobicContact CG2-CD 4.39Å; I433-K437 HydrophobicContact CG2-CG 4.47Å; I433-K437 WeakPolarHBondContact O-CB 3.19Å; I433-K437 WeakPolarHBondContact O-CG 3.35Å; I433-K437 PolarHBondContact O-N 3Å; K437-L440 CarbonylContact O-C 3.54Å; K437-L440 PolarHBondContact O-N 3.42Å; K437-N441 PolarHBondContact O-N 3.42Å; K437-M442 HydrophobicContact CB-CB 4.11Å; K437-M442 HydrophobicContact CG-CB 4.11Å; K437-M442 PolarHBondContact O-N 2.75Å; K437-K443 PolarHBondContact NZ-O 3.17Å
438	K	98	Very high	96.5	Very high	146 Å²	146	68.7 Å²	68.7	64%	0.635	34%	0.339	S	S	*	.	H	α-helix	trans	-61.6	-44	174.6	-176.4	-178.8	176	-174.1	0	112	L406 R434 V435 V436 L440 N441	L406-K438 HydrophobicContact CD1-CB 4.26Å; L406-K438 HydrophobicContact CD1-CD 4.08Å; L406-K438 HydrophobicContact CD1-CG 4.1Å; R434-K438 PolarHBondContact O-N 3.31Å; R434-K438 VanDerWaalsContact O-N 3.08Å; V435-K438 WeakPolarHBondContact O-CB 3.24Å; V435-K438 PolarHBondContact O-N 2.83Å; V436-K438 VanDerWaalsContact C-N 3.25Å; V436-K438 PolarHBondContact O-N 2.85Å; K438-L440 VanDerWaalsContact C-N 3.34Å; K438-L440 PolarHBondContact O-N 3.23Å; K438-N441 PolarHBondContact O-N 2.95Å
439	S	98.1	Very high	96.5	Very high	3 Å²	3	69.4 Å²	69.4	2%	0.021	34%	0.338	C	S	.	.	H	α-helix	trans	-61.4	-41.9	177.4	-172.7	0	0	0	0	111.9	H371 A403 V435 V436 N441	H371-S439 PolarHBondContact CE1-O 2.79Å; H371-S439 PolarHBondContact ND1-O 2.82Å; H371-S439 PolarHBondContact ND1-OG 2.81Å; H371-S439 VanDerWaalsContact ND1-OG 3.08Å; A403-S439 WeakPolarHBondContact CB-O 3.26Å; V435-S439 PolarHBondContact O-N 3.49Å; V436-S439 WeakPolarHBondContact O-CB 3.44Å; V436-S439 PolarHBondContact O-N 3.32Å; S439-N441 VanDerWaalsContact C-N 3.32Å; S439-N441 PolarHBondContact O-N 3.28Å
440	L	98.2	Very high	96.4	Very high	37 Å²	37	71.4 Å²	71.4	19%	0.194	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	6.5	-178.5	-60.6	177.6	0	0	0	114.2	N319 V344 H371 V436 K437 K438 M442	N319-L440 HydrophobicContact CB-CD1 4.47Å; N319-L440 WeakPolarHBondContact O-CD2 3.47Å; V344-L440 HydrophobicContact CB-CD1 4.47Å; V344-L440 HydrophobicContact CG1-CD1 3.51Å; V344-L440 HydrophobicContact CG2-CD1 4.06Å; H371-L440 HydrophobicContact CB-CD2 4.32Å; V436-L440 HydrophobicContact CG1-CD1 3.79Å; V436-L440 HydrophobicContact CG1-CG 4.36Å; V436-L440 WeakPolarHBondContact O-CG 3.41Å; V436-L440 PolarHBondContact O-N 3.4Å; K437-L440 CarbonylContact O-C 3.54Å; K437-L440 PolarHBondContact O-N 3.42Å; K438-L440 VanDerWaalsContact C-N 3.34Å; K438-L440 PolarHBondContact O-N 3.23Å; L440-M442 HydrophobicContact CB-CG 3.9Å; L440-M442 HydrophobicContact CB-SD 4.04Å; L440-M442 HydrophobicContact CD1-SD 4.03Å; L440-M442 PolarHBondContact O-N 2.89Å
441	N	96.3	Very high	96.3	Very high	144 Å²	144	71.9 Å²	71.9	77%	0.77	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	34.9	-174.8	-64.4	-59.9	0	0	0	114.3	K437 K438 S439	K437-N441 PolarHBondContact O-N 3.42Å; K438-N441 PolarHBondContact O-N 2.95Å; S439-N441 VanDerWaalsContact C-N 3.32Å; S439-N441 PolarHBondContact O-N 3.28Å
442	M	94.3	Very high	96.1	Very high	67 Å²	67	74.1 Å²	74.1	33%	0.33	34%	0.337	S	S	.	.			trans	-87.9	144.2	176	-63.8	176	73.1	0	0	111.3	V344 K437 L440	V344-M442 HydrophobicContact CG2-CE 3.55Å; V344-M442 HydrophobicContact CG2-SD 3.33Å; V344-M442 WeakPolarHBondContact CG2-SD 3.38Å; K437-M442 HydrophobicContact CB-CB 4.11Å; K437-M442 HydrophobicContact CG-CB 4.11Å; K437-M442 PolarHBondContact O-N 2.75Å; L440-M442 HydrophobicContact CB-CG 3.9Å; L440-M442 HydrophobicContact CB-SD 4.04Å; L440-M442 HydrophobicContact CD1-SD 4.03Å; L440-M442 PolarHBondContact O-N 2.89Å
443	K	77.6	Confident	95.9	Very high	255 Å²	255	80.8 Å²	80.8	100%	1.109	37%	0.367	S	S	*	.			trans	-82.7	0	178.1	-66.2	-172.1	-179.5	179.8	0	113.9	K437	K437-K443 PolarHBondContact NZ-O 3.17Å

Retrieved 443 of 443 residues in 376.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).