A0A087Y129_POEFO Loading...

tRNA wybutosine-synthesizing protein 5

tRNA hydroxylase that acts as a component of the wybutosine biosynthesis pathway. Wybutosine is a hyper modified guanosine with a tricyclic base found at the 3'-position adjacent to the anticodon of eukaryotic phenylalanine tRNA. Catalyzes the hydroxylation of 7-(a-amino-a-carboxypropyl)wyosine (yW-72) into undermodified hydroxywybutosine (OHyW*). OHyW* being further transformed into hydroxywybutosine (OHyW) by LCMT2/TYW4. OHyW is a derivative of wybutosine found in higher eukaryotes.

AlphaFold DB , UniProt , Accession A0A087Y129, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 336 aa.

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	53.6	Low	85.5	Confident	199 Å²	199	92.4 Å²	92.4	98%	0.98	48%	0.484	S	S	*	.				0	123.8	0	-85.7	162.8	49.2	0	0	106.4	V3	M1-V3 PolarHBondContact O-N 2.78Å
2	E	63.1	Low	86.6	Confident	146 Å²	146	90 Å²	90	68%	0.682	47%	0.467	S	S	*	.			trans	-64.5	125.6	167.5	-70.2	177.7	173.5	0	0	107.2	I213	E2-I213 HydrophobicContact CB-CD1 3.9Å; E2-I213 HydrophobicContact CB-CG1 4.07Å; E2-I213 WeakPolarHBondContact O-CD1 3.16Å
3	V	70.9	Confident	87.1	Confident	94 Å²	94	90.7 Å²	90.7	57%	0.57	48%	0.478	S	S	*	.			trans	-114.4	134.8	178.8	-174.5	0	0	0	0	106.6	M1 E5	M1-V3 PolarHBondContact O-N 2.78Å; V3-E5 PolarHBondContact O-N 2.83Å
4	Q	85.1	Confident	86.9	Confident	15 Å²	15	96.4 Å²	96.4	7%	0.07	50%	0.501	C	S	.	.			trans	-56.2	133.2	172.2	-70.2	173.1	-48	0	0	109	R6 F212 I213 A215 R217	Q4-R6 PolarHBondContact O-N 2.93Å; Q4-F212 VanDerWaalsContact NE2-CE1 3.34Å; Q4-F212 PolarHBondContact NE2-O 3.17Å; Q4-F212 VanDerWaalsContact OE1-CE1 3.29Å; Q4-I213 HydrophobicContact CG-CD1 3.93Å; Q4-A215 PolarHBondContact NE2-O 3.43Å; Q4-A215 VanDerWaalsContact NE2-O 3.17Å; Q4-R217 HydrophobicContact CB-CB 4.43Å
5	E	86.4	Confident	87.3	Confident	144 Å²	144	90.6 Å²	90.6	67%	0.673	47%	0.471	S	S	*	.			trans	-59.8	138.2	168.2	-174.3	175.1	-176.8	0	0	109.4	V3 Q216	V3-E5 PolarHBondContact O-N 2.83Å; E5-Q216 PolarHBondContact O-NE2 3.13Å
6	R	92.6	Very high	87.7	Confident	133 Å²	133	90.4 Å²	90.4	50%	0.502	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	119.3	-179.1	-60	-179.4	-173.2	-179.1	-2.3	109.2	Q4 D202	Q4-R6 PolarHBondContact O-N 2.93Å; R6-D202 IonicContact NH2-OD1 2.98Å
7	V	96.7	Very high	88.1	Confident	51 Å²	51	90.4 Å²	90.4	31%	0.309	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	133.7	174.2	-178.3	0	0	0	0	108.2	Q216 R217 Y218 D219	V7-Q216 HydrophobicContact CG2-CG 4.11Å; V7-R217 PolarHBondContact N-O 3.33Å; V7-Y218 HydrophobicContact CB-CD1 3.91Å; V7-Y218 HydrophobicContact CB-CE1 4.02Å; V7-Y218 HydrophobicContact CB-CG 4.41Å; V7-Y218 HydrophobicContact CG1-CD1 3.82Å; V7-Y218 HydrophobicContact CG1-CE1 3.68Å; V7-Y218 CarbonylContact O-C 3.5Å; V7-Y218 WeakPolarHBondContact O-CA 3.23Å; V7-D219 PolarHBondContact O-N 3.39Å
8	A	97.9	Very high	88.5	Confident	76 Å²	76	91 Å²	91	63%	0.628	47%	0.467	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70	138.9	174.9	0	0	0	0	0	110.5
9	V	98.6	Very high	88.9	Confident	5 Å²	5	88.2 Å²	88.2	3%	0.03	46%	0.455	C	S	.	.	P	Polyproline II helix	trans	-67.4	130.4	167.9	-179.8	0	0	0	0	108.9	P30 I32 L180 D219 C220 L228	V9-P30 HydrophobicContact CG1-CB 4.01Å; V9-P30 WeakPolarHBondContact CG1-O 3.48Å; V9-I32 HydrophobicContact CB-CG1 4.41Å; V9-I32 HydrophobicContact CG1-CG1 4.05Å; V9-L180 HydrophobicContact CG2-CD1 3.83Å; V9-D219 PolarHBondContact N-O 3.02Å; V9-C220 HydrophobicContact CB-CB 3.95Å; V9-C220 HydrophobicContact CG2-CB 3.91Å; V9-L228 HydrophobicContact CG1-CD1 4.1Å
10	P	98	Very high	89.4	Confident	68 Å²	68	83.8 Å²	83.8	44%	0.442	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-57.2	142.4	176.9	-25.8	34.7	0	0	0	112.7	F12 I32	P10-F12 HydrophobicContact CB-CE2 3.92Å; P10-I32 PolarHBondContact O-N 3.42Å
11	I	98.3	Very high	89.7	Confident	85 Å²	85	82.4 Å²	82.4	44%	0.436	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	127.5	179.1	-53.1	-178.3	0	0	0	108.5	I32 R34	I11-I32 WeakPolarHBondContact CA-O 3.06Å; I11-I32 HydrophobicContact CD1-CD1 4.44Å; I11-I32 HydrophobicContact CG1-CB 4.25Å; I11-I32 HydrophobicContact CG1-CD1 4.09Å; I11-R34 HydrophobicContact CG2-CG 4.03Å
12	F	97.7	Very high	91.8	Very high	64 Å²	64	78.5 Å²	78.5	28%	0.281	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	128.4	173	-64.6	-102.3	0	0	0	108.6	P10 V15 V24 A31 I32 L33 R34	P10-F12 HydrophobicContact CB-CE2 3.92Å; F12-V15 HydrophobicContact CB-CG2 3.38Å; F12-V24 HydrophobicContact CD1-CG2 3.86Å; F12-V24 HydrophobicContact CD2-CG2 4.12Å; F12-V24 HydrophobicContact CE1-CG2 3.93Å; F12-V24 HydrophobicContact CE2-CG2 4.19Å; F12-V24 HydrophobicContact CG-CG2 3.96Å; F12-V24 HydrophobicContact CZ-CG2 4.1Å; F12-A31 HydrophobicContact CD2-CB 3.82Å; F12-A31 HydrophobicContact CE2-CB 3.77Å; F12-I32 PolarHBondContact N-O 2.83Å; F12-L33 HydrophobicContact CB-CD2 4.16Å; F12-L33 HydrophobicContact CD2-CD2 4.38Å; F12-R34 PolarHBondContact O-N 2.98Å
13	T	94	Very high	93.4	Very high	99 Å²	99	77.5 Å²	77.5	61%	0.607	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.6	149.1	176.6	52.4	0	0	0	0	109.7	V15 R34	T13-V15 PolarHBondContact O-N 3.3Å; T13-R34 HydrophobicContact CG2-CB 4.25Å
14	E	83.9	Confident	94.7	Very high	171 Å²	171	73.3 Å²	73.3	80%	0.799	38%	0.378	S	S	*	.	S	Bend	trans	61.7	41.7	177.8	-52.7	-174.4	147.8	0	0	113	D16 R34	E14-D16 PolarHBondContact O-N 2.97Å; E14-R34 PolarHBondContact N-O 3.12Å; E14-R34 VanDerWaalsContact N-O 3.1Å
15	V	92.8	Very high	95.3	Very high	9 Å²	9	74.2 Å²	74.2	6%	0.055	38%	0.381	C	S	.	.			trans	-80.2	108.9	-177.4	-177.3	0	0	0	0	110.6	F12 T13 V19 F20 L33 V36 F138	F12-V15 HydrophobicContact CB-CG2 3.38Å; T13-V15 PolarHBondContact O-N 3.3Å; V15-V19 HydrophobicContact CG1-CB 4.43Å; V15-V19 HydrophobicContact CG1-CG1 4.29Å; V15-F20 HydrophobicContact CG1-CB 3.88Å; V15-L33 HydrophobicContact CB-CB 4.29Å; V15-L33 HydrophobicContact CG1-CD1 4.2Å; V15-L33 HydrophobicContact CG1-CD2 4.34Å; V15-L33 HydrophobicContact CG2-CB 4.15Å; V15-L33 HydrophobicContact CG2-CD2 4.06Å; V15-V36 HydrophobicContact CB-CG2 4.24Å; V15-F138 HydrophobicContact CG1-CZ 4.01Å
16	D	93.2	Very high	95.8	Very high	87 Å²	87	71.1 Å²	71.1	47%	0.465	37%	0.374	S	S	.	.			trans	-92.9	-175.1	165.2	73.5	19.1	0	0	0	111.8	E14 D18 V19 F20 F138	E14-D16 PolarHBondContact O-N 2.97Å; D16-D18 VanDerWaalsContact C-N 3.33Å; D16-D18 PolarHBondContact O-N 2.82Å; D16-D18 PolarHBondContact OD1-N 2.74Å; D16-V19 WeakPolarHBondContact OD1-CG2 3.22Å; D16-V19 PolarHBondContact OD1-N 3.46Å; D16-F20 WeakPolarHBondContact O-CB 3.37Å; D16-F20 PolarHBondContact O-N 3.29Å; D16-F138 WeakPolarHBondContact O-CE1 3.33Å
17	R	95.4	Very high	96	Very high	90 Å²	90	67 Å²	67	34%	0.34	37%	0.373	S	S	.	.	H	α-helix	trans	-61.3	-40.6	-179.5	176.9	175.4	-179.6	154.7	4.7	112.4	L21 R137 E140	R17-L21 HydrophobicContact CG-CD1 3.75Å; R17-L21 HydrophobicContact CG-CG 4.35Å; R17-L21 WeakPolarHBondContact O-CB 3.34Å; R17-L21 VanDerWaalsContact O-CG 3.27Å; R17-L21 WeakPolarHBondContact O-CG 3.46Å; R17-L21 PolarHBondContact O-N 3.37Å; R17-R137 WeakPolarHBondContact CD-O 3.35Å; R17-R137 VanDerWaalsContact CG-O 3.3Å; R17-R137 WeakPolarHBondContact CG-O 3.5Å; R17-R137 PolarHBondContact NE-O 2.8Å; R17-E140 IonicContact CZ-OE1 2.71Å; R17-E140 IonicContact NH2-OE1 2.74Å; R17-E140 PolarHBondContact NH2-OE1 3.1Å
18	D	95.6	Very high	96.1	Very high	102 Å²	102	67.8 Å²	67.8	55%	0.545	37%	0.37	S	S	.	.	H	α-helix	trans	-75.4	-40.9	-173.4	-70.2	-22.5	0	0	0	110.5	D16 F20 L21 N22	D16-D18 VanDerWaalsContact C-N 3.33Å; D16-D18 PolarHBondContact O-N 2.82Å; D16-D18 PolarHBondContact OD1-N 2.74Å; D18-F20 VanDerWaalsContact C-N 3.35Å; D18-L21 PolarHBondContact O-N 2.85Å; D18-N22 VanDerWaalsContact O-CB 3.29Å; D18-N22 WeakPolarHBondContact O-CB 3.4Å; D18-N22 PolarHBondContact O-N 2.98Å; D18-N22 PolarHBondContact O-ND2 2.76Å
19	V	95.8	Very high	96.1	Very high	38 Å²	38	67 Å²	67	23%	0.23	36%	0.361	C	S	.	.	H	α-helix	trans	-59.5	-47.6	172.3	175.2	0	0	0	0	110.1	V15 D16 L21 E23 V24	V15-V19 HydrophobicContact CG1-CB 4.43Å; V15-V19 HydrophobicContact CG1-CG1 4.29Å; D16-V19 WeakPolarHBondContact OD1-CG2 3.22Å; D16-V19 PolarHBondContact OD1-N 3.46Å; V19-L21 PolarHBondContact O-N 2.9Å; V19-E23 WeakPolarHBondContact O-CB 3.41Å; V19-E23 PolarHBondContact O-N 3.2Å; V19-V24 PolarHBondContact O-N 3.25Å
20	F	97.9	Very high	96.1	Very high	0 Å²	0	67 Å²	67	0%	0	36%	0.36	C	S	.	.	I	π-helix	trans	-60.3	-49.7	178.9	-178.7	-96.7	0	0	0	111.7	V15 D16 D18 N22 V24 Y25 L33 F138 F229 W251	V15-F20 HydrophobicContact CG1-CB 3.88Å; D16-F20 WeakPolarHBondContact O-CB 3.37Å; D16-F20 PolarHBondContact O-N 3.29Å; D18-F20 VanDerWaalsContact C-N 3.35Å; F20-N22 PolarHBondContact O-N 2.77Å; F20-V24 HydrophobicContact CD2-CB 3.88Å; F20-V24 HydrophobicContact CD2-CG1 3.91Å; F20-V24 HydrophobicContact CD2-CG2 4.48Å; F20-V24 HydrophobicContact CE2-CB 4.29Å; F20-V24 HydrophobicContact CE2-CG1 3.89Å; F20-V24 PolarHBondContact O-N 3.47Å; F20-Y25 AromaticContact CE1-CD2 3.61Å; F20-Y25 HydrophobicContact CE1-CD2 3.61Å; F20-Y25 HydrophobicContact CE1-CE2 4.48Å; F20-Y25 AromaticContact CE1-CG 3.88Å; F20-Y25 HydrophobicContact CE1-CG 3.88Å; F20-Y25 AromaticContact CZ-CD2 3.67Å; F20-Y25 HydrophobicContact CZ-CD2 3.67Å; F20-Y25 HydrophobicContact CZ-CG 4.27Å; F20-Y25 VanDerWaalsContact O-CB 3.22Å; F20-Y25 WeakPolarHBondContact O-CB 3.48Å; F20-Y25 PolarHBondContact O-N 2.76Å; F20-L33 HydrophobicContact CD2-CD1 3.56Å; F20-L33 HydrophobicContact CE2-CD1 3.82Å; F20-F138 HydrophobicContact CB-CD1 3.75Å; F20-F138 HydrophobicContact CB-CD2 4.36Å; F20-F138 HydrophobicContact CB-CE1 3.82Å; F20-F138 HydrophobicContact CB-CE2 4.44Å; F20-F138 HydrophobicContact CB-CG 4.05Å; F20-F138 HydrophobicContact CB-CZ 4.18Å; F20-F138 HydrophobicContact CD1-CB 3.47Å; F20-F138 VanDerWaalsContact CD1-CB 3.47Å; F20-F138 HydrophobicContact CD1-CD1 4.03Å; F20-F138 HydrophobicContact CD1-CD2 4.07Å; F20-F138 AromaticContact CD1-CG 3.59Å; F20-F138 HydrophobicContact CD1-CG 3.59Å; F20-F138 AromaticContact CD2-CD2 3.91Å; F20-F138 HydrophobicContact CD2-CD2 3.91Å; F20-F138 HydrophobicContact CD2-CE2 4.18Å; F20-F138 HydrophobicContact CD2-CG 4.24Å; F20-F138 HydrophobicContact CE1-CB 3.59Å; F20-F138 HydrophobicContact CE1-CD2 4.35Å; F20-F138 HydrophobicContact CE1-CG 4.08Å; F20-F138 HydrophobicContact CE2-CD2 4.2Å; F20-F138 HydrophobicContact CG-CB 4.09Å; F20-F138 AromaticContact CG-CD1 3.92Å; F20-F138 HydrophobicContact CG-CD1 3.92Å; F20-F138 AromaticContact CG-CD2 3.83Å; F20-F138 HydrophobicContact CG-CD2 3.83Å; F20-F138 HydrophobicContact CG-CE1 4.31Å; F20-F138 HydrophobicContact CG-CE2 4.25Å; F20-F138 AromaticContact CG-CG 3.67Å; F20-F138 HydrophobicContact CG-CG 3.67Å; F20-F138 HydrophobicContact CG-CZ 4.47Å; F20-F138 HydrophobicContact CZ-CB 4.3Å; F20-F138 HydrophobicContact CZ-CD2 4.4Å; F20-F229 HydrophobicContact CE2-CB 4.1Å; F20-F229 HydrophobicContact CE2-CD1 4.14Å; F20-F229 HydrophobicContact CE2-CD2 4.27Å; F20-F229 AromaticContact CE2-CG 3.91Å; F20-F229 HydrophobicContact CE2-CG 3.91Å; F20-F229 HydrophobicContact CZ-CD1 4.37Å; F20-F229 HydrophobicContact CZ-CD2 4Å; F20-F229 HydrophobicContact CZ-CE2 4.2Å; F20-F229 HydrophobicContact CZ-CG 4.09Å; F20-F229 HydrophobicContact CZ-CZ 4.46Å; F20-W251 HydrophobicContact CZ-CZ2 4.36Å
21	L	97.5	Very high	96.1	Very high	54 Å²	54	63.9 Å²	63.9	28%	0.283	34%	0.34	S	S	.	.	I	π-helix	trans	-71.1	-30.6	-173.8	-72	177.3	0	0	0	113.8	R17 D18 V19 P26 F138	R17-L21 HydrophobicContact CG-CD1 3.75Å; R17-L21 HydrophobicContact CG-CG 4.35Å; R17-L21 WeakPolarHBondContact O-CB 3.34Å; R17-L21 VanDerWaalsContact O-CG 3.27Å; R17-L21 WeakPolarHBondContact O-CG 3.46Å; R17-L21 PolarHBondContact O-N 3.37Å; D18-L21 PolarHBondContact O-N 2.85Å; V19-L21 PolarHBondContact O-N 2.9Å; L21-P26 VanDerWaalsContact O-CD 3.27Å; L21-P26 WeakPolarHBondContact O-CD 3.35Å; L21-P26 VanDerWaalsContact O-CG 3.23Å; L21-P26 WeakPolarHBondContact O-CG 3.29Å; L21-F138 VanDerWaalsContact CD2-O 3.31Å; L21-F138 WeakPolarHBondContact CD2-O 3.49Å
22	N	96.8	Very high	96.2	Very high	117 Å²	117	60 Å²	60	63%	0.626	32%	0.32	S	S	*	.	I	π-helix	trans	-98.3	-29.9	-175.2	-63.3	-52.9	0	0	0	113.6	D18 F20	D18-N22 VanDerWaalsContact O-CB 3.29Å; D18-N22 WeakPolarHBondContact O-CB 3.4Å; D18-N22 PolarHBondContact O-N 2.98Å; D18-N22 PolarHBondContact O-ND2 2.76Å; F20-N22 PolarHBondContact O-N 2.77Å
23	E	96	Very high	96.2	Very high	126 Å²	126	57 Å²	57	59%	0.589	31%	0.307	S	S	*	.	I	π-helix	trans	-111.2	-46.7	-173.7	-57.3	-175.1	-156.9	0	0	112.7	V19	V19-E23 WeakPolarHBondContact O-CB 3.41Å; V19-E23 PolarHBondContact O-N 3.2Å
24	V	97.8	Very high	96.3	Very high	6 Å²	6	56.3 Å²	56.3	4%	0.036	29%	0.293	C	S	.	.	I	π-helix	trans	-84.2	-56	-173.6	-178.8	0	0	0	0	111.6	F12 V19 F20 G27 A31 L33 F229	F12-V24 HydrophobicContact CD1-CG2 3.86Å; F12-V24 HydrophobicContact CD2-CG2 4.12Å; F12-V24 HydrophobicContact CE1-CG2 3.93Å; F12-V24 HydrophobicContact CE2-CG2 4.19Å; F12-V24 HydrophobicContact CG-CG2 3.96Å; F12-V24 HydrophobicContact CZ-CG2 4.1Å; V19-V24 PolarHBondContact O-N 3.25Å; F20-V24 HydrophobicContact CD2-CB 3.88Å; F20-V24 HydrophobicContact CD2-CG1 3.91Å; F20-V24 HydrophobicContact CD2-CG2 4.48Å; F20-V24 HydrophobicContact CE2-CB 4.29Å; F20-V24 HydrophobicContact CE2-CG1 3.89Å; F20-V24 PolarHBondContact O-N 3.47Å; V24-G27 PolarHBondContact O-N 3.26Å; V24-G27 VanDerWaalsContact O-N 3.15Å; V24-A31 HydrophobicContact CG1-CB 3.62Å; V24-L33 HydrophobicContact CG1-CD2 4.09Å; V24-L33 HydrophobicContact CG2-CD2 4.18Å; V24-F229 HydrophobicContact CG1-CD1 3.95Å
25	Y	98.3	Very high	96.6	Very high	33 Å²	33	51.7 Å²	51.7	13%	0.129	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-61.3	-42.1	-171.5	-169.1	-114.1	0	0	0	113.4	F20 G27 R28 D166 F229 W251 H253	F20-Y25 AromaticContact CE1-CD2 3.61Å; F20-Y25 HydrophobicContact CE1-CD2 3.61Å; F20-Y25 HydrophobicContact CE1-CE2 4.48Å; F20-Y25 AromaticContact CE1-CG 3.88Å; F20-Y25 HydrophobicContact CE1-CG 3.88Å; F20-Y25 AromaticContact CZ-CD2 3.67Å; F20-Y25 HydrophobicContact CZ-CD2 3.67Å; F20-Y25 HydrophobicContact CZ-CG 4.27Å; F20-Y25 VanDerWaalsContact O-CB 3.22Å; F20-Y25 WeakPolarHBondContact O-CB 3.48Å; F20-Y25 PolarHBondContact O-N 2.76Å; Y25-G27 PolarHBondContact O-N 3.03Å; Y25-R28 WeakPolarHBondContact O-CD 3.49Å; Y25-R28 PolarHBondContact O-N 3.11Å; Y25-D166 WeakPolarHBondContact CE2-OD2 3.33Å; Y25-D166 VanDerWaalsContact CZ-OD2 3.24Å; Y25-D166 PolarHBondContact OH-OD2 3.25Å; Y25-F229 HydrophobicContact CD2-CE1 4.12Å; Y25-F229 AromaticContact CD2-CE2 3.98Å; Y25-F229 HydrophobicContact CD2-CE2 3.98Å; Y25-F229 AromaticContact CD2-CZ 3.49Å; Y25-F229 HydrophobicContact CD2-CZ 3.49Å; Y25-F229 VanDerWaalsContact CD2-CZ 3.49Å; Y25-F229 HydrophobicContact CE2-CE2 4.03Å; Y25-F229 AromaticContact CE2-CZ 3.76Å; Y25-F229 HydrophobicContact CE2-CZ 3.76Å; Y25-W251 HydrophobicContact CD2-CZ2 4.3Å; Y25-W251 AromaticContact CE2-CZ2 3.69Å; Y25-W251 HydrophobicContact CE2-CZ2 3.69Å; Y25-W251 AromaticContact CE2-NE1 3.99Å; Y25-W251 AromaticContact CZ-NE1 3.99Å; Y25-W251 PolarHBondContact OH-NE1 3.36Å; Y25-H253 AromaticContact CZ-ND1 3.74Å; Y25-H253 PolarHBondContact OH-ND1 3.19Å
26	P	97.6	Very high	96.8	Very high	80 Å²	80	52.1 Å²	52.1	52%	0.519	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-68	-22.5	178.5	-21.7	36.4	0	0	0	113.5	L21 R28	L21-P26 VanDerWaalsContact O-CD 3.27Å; L21-P26 WeakPolarHBondContact O-CD 3.35Å; L21-P26 VanDerWaalsContact O-CG 3.23Å; L21-P26 WeakPolarHBondContact O-CG 3.29Å; P26-R28 PolarHBondContact O-N 3.4Å
27	G	96.8	Very high	96.9	Very high	47 Å²	47	53.3 Å²	53.3	49%	0.485	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-70	-13.6	179.3	0	0	0	0	0	114.4	V24 Y25 S29	V24-G27 PolarHBondContact O-N 3.26Å; V24-G27 VanDerWaalsContact O-N 3.15Å; Y25-G27 PolarHBondContact O-N 3.03Å; G27-S29 PolarHBondContact O-N 3.32Å; G27-S29 PolarHBondContact O-OG 3.13Å
28	R	98.1	Very high	97	Very high	66 Å²	66	49.2 Å²	49.2	25%	0.249	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	46.2	34.8	176.2	-57.9	-50.7	-58.5	175.5	-0.9	114.1	Y25 P26 D166 P231 W234	Y25-R28 WeakPolarHBondContact O-CD 3.49Å; Y25-R28 PolarHBondContact O-N 3.11Å; P26-R28 PolarHBondContact O-N 3.4Å; R28-D166 IonicContact CZ-OD1 3.76Å; R28-D166 IonicContact CZ-OD2 2.59Å; R28-D166 IonicContact NH1-OD1 3.21Å; R28-D166 PolarHBondContact NH1-OD1 3.2Å; R28-D166 IonicContact NH1-OD2 3.98Å; R28-D166 PolarHBondContact NH1-OD2 3.24Å; R28-D166 IonicContact NH2-OD1 3.76Å; R28-D166 PolarHBondContact NH2-OD1 3.38Å; R28-D166 IonicContact NH2-OD2 3.41Å; R28-P231 VanDerWaalsContact C-CG 3.45Å; R28-W234 PolarHBondContact O-NE1 3.12Å
29	S	98.1	Very high	97.1	Very high	61 Å²	61	44.8 Å²	44.8	43%	0.427	26%	0.264	S	S	.	.	S	Bend	trans	-129.5	152.4	179.3	-59.7	0	0	0	0	109.6	G27	G27-S29 PolarHBondContact O-N 3.32Å; G27-S29 PolarHBondContact O-OG 3.13Å
30	P	98.8	Very high	97.2	Very high	4 Å²	4	44.7 Å²	44.7	3%	0.026	27%	0.265	C	S	.	.			trans	-62.1	146.1	179.5	-22.8	32.4	0	0	0	111.9	V9 L180 L228 F229 W234	V9-P30 HydrophobicContact CG1-CB 4.01Å; V9-P30 WeakPolarHBondContact CG1-O 3.48Å; P30-L180 HydrophobicContact CB-CD1 4.48Å; P30-L180 HydrophobicContact CB-CD2 4.01Å; P30-L180 HydrophobicContact CG-CB 4.41Å; P30-L180 HydrophobicContact CG-CD2 3.76Å; P30-L228 HydrophobicContact CB-CD1 4.39Å; P30-F229 WeakPolarHBondContact CA-O 3.49Å; P30-W234 VanDerWaalsContact CD-CE2 3.43Å; P30-W234 HydrophobicContact CG-CD2 3.58Å; P30-W234 HydrophobicContact CG-CE3 3.32Å; P30-W234 HydrophobicContact CG-CG 4.23Å; P30-W234 HydrophobicContact CG-CH2 3.95Å; P30-W234 HydrophobicContact CG-CZ2 4.22Å; P30-W234 HydrophobicContact CG-CZ3 3.51Å
31	A	98.7	Very high	97.2	Very high	2 Å²	2	44.7 Å²	44.7	2%	0.017	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	136	179.7	0	0	0	0	0	110.6	F12 V24 L33 F229	F12-A31 HydrophobicContact CD2-CB 3.82Å; F12-A31 HydrophobicContact CE2-CB 3.77Å; V24-A31 HydrophobicContact CG1-CB 3.62Å; A31-L33 HydrophobicContact CB-CD2 3.97Å; A31-F229 PolarHBondContact N-O 2.76Å; A31-F229 PolarHBondContact O-N 2.98Å
32	I	98.8	Very high	97.2	Very high	4 Å²	4	44.3 Å²	44.3	2%	0.021	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	126.4	168.5	-55.1	174.2	0	0	0	107.8	V9 P10 I11 F12 R34 C220 L222 D226 L227 L228	V9-I32 HydrophobicContact CB-CG1 4.41Å; V9-I32 HydrophobicContact CG1-CG1 4.05Å; P10-I32 PolarHBondContact O-N 3.42Å; I11-I32 WeakPolarHBondContact CA-O 3.06Å; I11-I32 HydrophobicContact CD1-CD1 4.44Å; I11-I32 HydrophobicContact CG1-CB 4.25Å; I11-I32 HydrophobicContact CG1-CD1 4.09Å; F12-I32 PolarHBondContact N-O 2.83Å; I32-R34 HydrophobicContact CG2-CG 4.15Å; I32-C220 HydrophobicContact CD1-CB 3.46Å; I32-C220 VanDerWaalsContact CD1-CB 3.46Å; I32-C220 HydrophobicContact CG1-CB 4.28Å; I32-L222 HydrophobicContact CD1-CD2 4.2Å; I32-L222 HydrophobicContact CG1-CD2 4.05Å; I32-L222 HydrophobicContact CG2-CD2 4.35Å; I32-D226 HydrophobicContact CG2-CB 4.09Å; I32-L227 CarbonylContact C-O 3.6Å; I32-L228 HydrophobicContact CG1-CD1 4.14Å
33	L	98.4	Very high	97.2	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	116.3	178.6	-42.5	-177	0	0	0	107.9	F12 V15 F20 V24 A31 V36 F138 L227	F12-L33 HydrophobicContact CB-CD2 4.16Å; F12-L33 HydrophobicContact CD2-CD2 4.38Å; V15-L33 HydrophobicContact CB-CB 4.29Å; V15-L33 HydrophobicContact CG1-CD1 4.2Å; V15-L33 HydrophobicContact CG1-CD2 4.34Å; V15-L33 HydrophobicContact CG2-CB 4.15Å; V15-L33 HydrophobicContact CG2-CD2 4.06Å; F20-L33 HydrophobicContact CD2-CD1 3.56Å; F20-L33 HydrophobicContact CE2-CD1 3.82Å; V24-L33 HydrophobicContact CG1-CD2 4.09Å; V24-L33 HydrophobicContact CG2-CD2 4.18Å; A31-L33 HydrophobicContact CB-CD2 3.97Å; L33-V36 HydrophobicContact CB-CG2 3.88Å; L33-F138 HydrophobicContact CD1-CD2 4.26Å; L33-F138 HydrophobicContact CD1-CE2 3.61Å; L33-F138 HydrophobicContact CD1-CZ 4.36Å; L33-L227 HydrophobicContact CB-CB 4.39Å; L33-L227 HydrophobicContact CB-CD2 4.28Å; L33-L227 HydrophobicContact CD1-CD2 3.62Å; L33-L227 HydrophobicContact CG-CD2 4.18Å; L33-L227 PolarHBondContact N-O 3.11Å; L33-L227 PolarHBondContact O-N 3.35Å; L33-L227 VanDerWaalsContact O-N 3.14Å
34	R	96.1	Very high	97.3	Very high	85 Å²	85	45.3 Å²	45.3	32%	0.321	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	140.4	-177.7	-73.1	-165.1	168.1	152.9	4.1	111.8	I11 F12 T13 E14 I32 V36 D226	I11-R34 HydrophobicContact CG2-CG 4.03Å; F12-R34 PolarHBondContact O-N 2.98Å; T13-R34 HydrophobicContact CG2-CB 4.25Å; E14-R34 PolarHBondContact N-O 3.12Å; E14-R34 VanDerWaalsContact N-O 3.1Å; I32-R34 HydrophobicContact CG2-CG 4.15Å; R34-V36 VanDerWaalsContact C-N 3.34Å; R34-D226 VanDerWaalsContact CG-OD1 3.25Å; R34-D226 WeakPolarHBondContact CG-OD1 3.33Å; R34-D226 IonicContact CZ-OD1 2.83Å; R34-D226 IonicContact CZ-OD2 3.42Å; R34-D226 IonicContact NE-OD1 3.96Å; R34-D226 PolarHBondContact NE-OD1 3.21Å; R34-D226 IonicContact NE-OD2 3.89Å; R34-D226 IonicContact NH2-OD2 3.53Å; R34-D226 PolarHBondContact NH2-OD2 2.88Å
35	G	91.4	Very high	97.4	Very high	74 Å²	74	45.2 Å²	45.2	76%	0.763	26%	0.263	S	S	*	.	S	Bend	trans	80.5	13.9	179.4	0	0	0	0	0	114.1
36	V	95.8	Very high	97.4	Very high	18 Å²	18	46.8 Å²	46.8	11%	0.109	28%	0.276	C	S	.	.			trans	-73.3	129.7	170.4	-176.7	0	0	0	0	108.3	V15 L33 R34 L38 P136 F138	V15-V36 HydrophobicContact CB-CG2 4.24Å; L33-V36 HydrophobicContact CB-CG2 3.88Å; R34-V36 VanDerWaalsContact C-N 3.34Å; V36-L38 PolarHBondContact O-N 2.85Å; V36-L38 VanDerWaalsContact O-N 3.12Å; V36-P136 HydrophobicContact CG1-CB 3.88Å; V36-P136 HydrophobicContact CG1-CG 3.47Å; V36-P136 VanDerWaalsContact CG1-CG 3.47Å; V36-F138 HydrophobicContact CG1-CE2 4.39Å; V36-F138 HydrophobicContact CG1-CZ 4.14Å; V36-F138 HydrophobicContact CG2-CE2 4.39Å; V36-F138 HydrophobicContact CG2-CZ 4.11Å
37	D	95.9	Very high	97.4	Very high	113 Å²	113	44.2 Å²	44.2	60%	0.604	26%	0.259	S	S	*	.			trans	-69.5	107.1	176.5	177.9	25.5	0	0	0	110.7	G39 H134	D37-G39 VanDerWaalsContact C-N 3.33Å; D37-G39 WeakPolarHBondContact OD1-CA 3.3Å; D37-G39 PolarHBondContact OD1-N 2.82Å; D37-H134 IonicContact OD2-ND1 3.18Å; D37-H134 PolarHBondContact OD2-ND1 3.1Å
38	L	97.1	Very high	97.5	Very high	3 Å²	3	48.3 Å²	48.3	2%	0.016	27%	0.266	C	S	.	.			trans	-92.4	5.4	174.4	-59.5	179.8	0	0	0	112.4	V36 C41 V42 F133 H134 P136 A170 L227	V36-L38 PolarHBondContact O-N 2.85Å; V36-L38 VanDerWaalsContact O-N 3.12Å; L38-C41 PolarHBondContact O-SG 3.5Å; L38-V42 HydrophobicContact CB-CG2 3.95Å; L38-V42 HydrophobicContact CD1-CG2 4.25Å; L38-F133 HydrophobicContact CD2-CE2 4.34Å; L38-F133 WeakPolarHBondContact O-CA 3.36Å; L38-H134 PolarHBondContact O-N 2.91Å; L38-P136 HydrophobicContact CD2-CG 4.2Å; L38-A170 HydrophobicContact CD1-CB 4.08Å; L38-A170 HydrophobicContact CD2-CB 4.38Å; L38-L227 HydrophobicContact CD2-CD1 3.68Å
39	G	97.6	Very high	97.5	Very high	10 Å²	10	47.4 Å²	47.4	10%	0.103	26%	0.263	C	S	.	.			trans	79.1	-174.7	-174.9	0	0	0	0	0	113.2	D37 C41 D132 H134	D37-G39 VanDerWaalsContact C-N 3.33Å; D37-G39 WeakPolarHBondContact OD1-CA 3.3Å; D37-G39 PolarHBondContact OD1-N 2.82Å; G39-C41 PolarHBondContact O-N 3.14Å; G39-D132 CarbonylContact C-O 3.6Å; G39-H134 VanDerWaalsContact CA-ND1 3.28Å; G39-H134 WeakPolarHBondContact CA-ND1 3.41Å
40	P	98.1	Very high	97.5	Very high	36 Å²	36	44.5 Å²	44.5	23%	0.234	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-4.3	-174.6	30.4	-38	0	0	0	114.1	V42 D43 R44 D132	P40-V42 PolarHBondContact O-N 3.23Å; P40-D43 PolarHBondContact O-N 2.85Å; P40-R44 HydrophobicContact CB-CG 4.28Å; P40-R44 VanDerWaalsContact O-CB 3.32Å; P40-R44 WeakPolarHBondContact O-CB 3.25Å; P40-R44 WeakPolarHBondContact O-CG 3.19Å; P40-R44 PolarHBondContact O-N 2.92Å; P40-D132 WeakPolarHBondContact CD-O 3.31Å; P40-D132 HydrophobicContact CG-CB 4.09Å
41	C	98.1	Very high	97.5	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-54.8	-37.6	178.7	64.9	0	0	0	0	113.1	L38 G39 D43 R44 W45 D132 F133 V172	L38-C41 PolarHBondContact O-SG 3.5Å; G39-C41 PolarHBondContact O-N 3.14Å; C41-D43 VanDerWaalsContact C-N 3.25Å; C41-D43 PolarHBondContact O-N 2.95Å; C41-R44 PolarHBondContact O-N 2.95Å; C41-W45 HydrophobicContact CB-CD2 3.68Å; C41-W45 VanDerWaalsContact CB-CE2 3.43Å; C41-W45 HydrophobicContact CB-CE3 4.15Å; C41-W45 HydrophobicContact CB-CG 4.07Å; C41-W45 HydrophobicContact CB-CH2 4.18Å; C41-W45 HydrophobicContact CB-CZ2 3.72Å; C41-W45 HydrophobicContact CB-CZ3 4.36Å; C41-W45 VanDerWaalsContact O-CB 3.25Å; C41-W45 WeakPolarHBondContact O-CB 3.47Å; C41-W45 PolarHBondContact O-N 3.48Å; C41-D132 HydrophobicContact CB-CB 3.98Å; C41-D132 VanDerWaalsContact CB-O 3.26Å; C41-D132 WeakPolarHBondContact CB-O 3.35Å; C41-D132 PolarHBondContact N-O 2.9Å; C41-F133 HydrophobicContact CB-CB 4.48Å; C41-V172 HydrophobicContact CB-CG1 3.92Å; C41-V172 WeakPolarHBondContact O-CG1 3.42Å
42	V	97.4	Very high	97.5	Very high	45 Å²	45	50.9 Å²	50.9	27%	0.273	28%	0.275	S	S	.	.	H	α-helix	trans	-62.3	-34.7	-177.1	-173.7	0	0	0	0	111.6	L38 P40 V172 P224	L38-V42 HydrophobicContact CB-CG2 3.95Å; L38-V42 HydrophobicContact CD1-CG2 4.25Å; P40-V42 PolarHBondContact O-N 3.23Å; V42-V172 HydrophobicContact CG2-CG1 4.44Å; V42-P224 HydrophobicContact CG1-CB 4.42Å
43	D	97.6	Very high	97.4	Very high	141 Å²	141	54.4 Å²	54.4	75%	0.754	29%	0.291	S	S	*	.	H	α-helix	trans	-91.9	-32.2	178.5	-59.9	-49.9	0	0	0	112.7	P40 C41	P40-D43 PolarHBondContact O-N 2.85Å; C41-D43 VanDerWaalsContact C-N 3.25Å; C41-D43 PolarHBondContact O-N 2.95Å
44	R	98	Very high	97.3	Very high	124 Å²	124	54.9 Å²	54.9	47%	0.468	30%	0.296	S	S	.	.	H	α-helix	trans	-89.1	-30.6	-170.4	-71.3	-176.4	178.9	174.6	-1.4	114.7	P40 C41 T46 Y49 D132	P40-R44 HydrophobicContact CB-CG 4.28Å; P40-R44 VanDerWaalsContact O-CB 3.32Å; P40-R44 WeakPolarHBondContact O-CB 3.25Å; P40-R44 WeakPolarHBondContact O-CG 3.19Å; P40-R44 PolarHBondContact O-N 2.92Å; C41-R44 PolarHBondContact O-N 2.95Å; R44-T46 PolarHBondContact O-N 2.82Å; R44-Y49 HydrophobicContact CB-CD1 4.33Å; R44-Y49 HydrophobicContact CB-CE1 4.13Å; R44-Y49 WeakPolarHBondContact O-CB 3.32Å; R44-Y49 WeakPolarHBondContact O-CD1 3.25Å; R44-D132 WeakPolarHBondContact CD-OD1 3.29Å; R44-D132 IonicContact CZ-OD1 3.71Å; R44-D132 IonicContact NH1-OD1 2.82Å; R44-D132 PolarHBondContact NH1-OD1 2.97Å
45	W	98.4	Very high	97.3	Very high	4 Å²	4	51.9 Å²	51.9	2%	0.015	29%	0.291	C	S	.	.			trans	-78.2	64.4	-169.7	-71.8	8.5	0	0	0	112.9	C41 Y49 L50 L122 L129 D132 F133 F149 V172 T173 V245 V247	C41-W45 HydrophobicContact CB-CD2 3.68Å; C41-W45 VanDerWaalsContact CB-CE2 3.43Å; C41-W45 HydrophobicContact CB-CE3 4.15Å; C41-W45 HydrophobicContact CB-CG 4.07Å; C41-W45 HydrophobicContact CB-CH2 4.18Å; C41-W45 HydrophobicContact CB-CZ2 3.72Å; C41-W45 HydrophobicContact CB-CZ3 4.36Å; C41-W45 VanDerWaalsContact O-CB 3.25Å; C41-W45 WeakPolarHBondContact O-CB 3.47Å; C41-W45 PolarHBondContact O-N 3.48Å; W45-Y49 AromaticContact CD1-CD1 3.86Å; W45-Y49 AromaticContact CD1-CE1 3.76Å; W45-L50 HydrophobicContact CB-CD1 4.19Å; W45-L50 HydrophobicContact CB-CD2 4.04Å; W45-L50 HydrophobicContact CB-CG 4.07Å; W45-L50 HydrophobicContact CD2-CD2 3.95Å; W45-L50 HydrophobicContact CE3-CD2 4.33Å; W45-L50 HydrophobicContact CG-CD2 3.84Å; W45-L50 HydrophobicContact CG-CG 4.36Å; W45-L122 HydrophobicContact CH2-CD2 4.3Å; W45-L129 HydrophobicContact CZ2-CB 4.12Å; W45-L129 WeakPolarHBondContact CZ2-O 3.47Å; W45-D132 PolarHBondContact NE1-OD2 3.45Å; W45-F133 HydrophobicContact CH2-CB 4.09Å; W45-F133 HydrophobicContact CZ2-CB 4.1Å; W45-F149 HydrophobicContact CE3-CE2 4.01Å; W45-F149 HydrophobicContact CE3-CZ 4.26Å; W45-F149 AromaticContact CH2-CE2 3.81Å; W45-F149 HydrophobicContact CH2-CE2 3.81Å; W45-F149 HydrophobicContact CH2-CZ 4.18Å; W45-F149 HydrophobicContact CZ3-CD2 4.37Å; W45-F149 AromaticContact CZ3-CE2 3.39Å; W45-F149 HydrophobicContact CZ3-CE2 3.39Å; W45-F149 AromaticContact CZ3-CZ 3.94Å; W45-F149 HydrophobicContact CZ3-CZ 3.94Å; W45-V172 HydrophobicContact CB-CG1 4.29Å; W45-V172 HydrophobicContact CD2-CG1 4.06Å; W45-V172 HydrophobicContact CE3-CB 3.92Å; W45-V172 HydrophobicContact CE3-CG1 3.51Å; W45-V172 HydrophobicContact CE3-CG2 4.13Å; W45-V172 HydrophobicContact CG-CG1 4.41Å; W45-V172 HydrophobicContact CZ3-CB 4.15Å; W45-V172 HydrophobicContact CZ3-CG1 4.08Å; W45-V172 HydrophobicContact CZ3-CG2 3.86Å; W45-T173 PolarHBondContact O-OG1 2.86Å; W45-V245 HydrophobicContact CE3-CG1 3.61Å; W45-V245 HydrophobicContact CZ3-CG1 3.9Å; W45-V247 HydrophobicContact CH2-CG2 3.76Å; W45-V247 HydrophobicContact CZ3-CG2 3.74Å
46	T	98.4	Very high	97.6	Very high	65 Å²	65	54.5 Å²	54.5	40%	0.399	28%	0.283	S	S	.	.			trans	-74.8	164.8	162.8	80.7	0	0	0	0	110.5	R44 E48 Y49 L50	R44-T46 PolarHBondContact O-N 2.82Å; T46-E48 VanDerWaalsContact C-N 3.28Å; T46-E48 PolarHBondContact O-N 3.03Å; T46-E48 PolarHBondContact OG1-N 3.36Å; T46-E48 PolarHBondContact OG1-OE2 2.9Å; T46-Y49 PolarHBondContact O-N 3.26Å; T46-Y49 PolarHBondContact OG1-N 2.68Å; T46-L50 WeakPolarHBondContact O-CB 3.46Å; T46-L50 WeakPolarHBondContact O-CD1 3.32Å; T46-L50 VanDerWaalsContact O-CG 3.23Å; T46-L50 WeakPolarHBondContact O-CG 3.33Å; T46-L50 PolarHBondContact O-N 3.05Å
47	V	98.4	Very high	97.5	Very high	27 Å²	27	58 Å²	58	16%	0.164	29%	0.294	C	S	.	.	H	α-helix	trans	-54.7	-46	176.4	171.8	0	0	0	0	110.9	A51 V87 R88 A91 F243	V47-A51 WeakPolarHBondContact O-CB 3.39Å; V47-A51 PolarHBondContact O-N 2.85Å; V47-V87 HydrophobicContact CG1-CG1 4.14Å; V47-R88 HydrophobicContact CG1-CG 4.11Å; V47-A91 HydrophobicContact CG1-CB 4.26Å; V47-A91 HydrophobicContact CG2-CB 3.55Å; V47-F243 HydrophobicContact CG2-CD1 4.22Å; V47-F243 HydrophobicContact CG2-CE1 3.69Å; V47-F243 HydrophobicContact CG2-CZ 4.13Å
48	E	98.4	Very high	97.6	Very high	132 Å²	132	57.9 Å²	57.9	62%	0.617	29%	0.29	S	S	*	.	H	α-helix	trans	-69.4	-40.9	-177.8	-62.1	69.7	-152.4	0	0	112	T46 A51 L52	T46-E48 VanDerWaalsContact C-N 3.28Å; T46-E48 PolarHBondContact O-N 3.03Å; T46-E48 PolarHBondContact OG1-N 3.36Å; T46-E48 PolarHBondContact OG1-OE2 2.9Å; E48-A51 PolarHBondContact O-N 3.04Å; E48-L52 VanDerWaalsContact O-CB 3.32Å; E48-L52 WeakPolarHBondContact O-CB 3.33Å; E48-L52 PolarHBondContact O-N 3.21Å
49	Y	98.6	Very high	97.6	Very high	48 Å²	48	58.3 Å²	58.3	19%	0.188	29%	0.293	C	S	.	.	H	α-helix	trans	-65	-47.5	177.9	-177.7	-91.9	0	0	0	110.9	R44 W45 T46 A51 L52 K53 L129 D132	R44-Y49 HydrophobicContact CB-CD1 4.33Å; R44-Y49 HydrophobicContact CB-CE1 4.13Å; R44-Y49 WeakPolarHBondContact O-CB 3.32Å; R44-Y49 WeakPolarHBondContact O-CD1 3.25Å; W45-Y49 AromaticContact CD1-CD1 3.86Å; W45-Y49 AromaticContact CD1-CE1 3.76Å; T46-Y49 PolarHBondContact O-N 3.26Å; T46-Y49 PolarHBondContact OG1-N 2.68Å; Y49-A51 VanDerWaalsContact C-N 3.35Å; Y49-A51 PolarHBondContact O-N 2.91Å; Y49-L52 PolarHBondContact O-N 3.25Å; Y49-K53 HydrophobicContact CD1-CG 4.13Å; Y49-K53 HydrophobicContact CD2-CG 4.42Å; Y49-K53 HydrophobicContact CE1-CB 4.46Å; Y49-K53 HydrophobicContact CE1-CG 3.73Å; Y49-K53 HydrophobicContact CE2-CG 4.02Å; Y49-K53 HydrophobicContact CG-CG 4.47Å; Y49-K53 WeakPolarHBondContact O-CB 3.37Å; Y49-K53 WeakPolarHBondContact O-CG 3.43Å; Y49-K53 PolarHBondContact O-N 2.81Å; Y49-L129 HydrophobicContact CD1-CD2 4.3Å; Y49-L129 HydrophobicContact CE1-CD2 3.96Å; Y49-D132 WeakPolarHBondContact CE1-OD2 3.22Å; Y49-D132 VanDerWaalsContact CZ-OD2 3.28Å; Y49-D132 PolarHBondContact OH-OD1 3.21Å; Y49-D132 PolarHBondContact OH-OD2 2.93Å
50	L	98.5	Very high	97.6	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-59.2	-47.3	175.6	-72.8	165.7	0	0	0	111	W45 T46 L52 K53 G54 F83 V87 L129 F149 V245	W45-L50 HydrophobicContact CB-CD1 4.19Å; W45-L50 HydrophobicContact CB-CD2 4.04Å; W45-L50 HydrophobicContact CB-CG 4.07Å; W45-L50 HydrophobicContact CD2-CD2 3.95Å; W45-L50 HydrophobicContact CE3-CD2 4.33Å; W45-L50 HydrophobicContact CG-CD2 3.84Å; W45-L50 HydrophobicContact CG-CG 4.36Å; T46-L50 WeakPolarHBondContact O-CB 3.46Å; T46-L50 WeakPolarHBondContact O-CD1 3.32Å; T46-L50 VanDerWaalsContact O-CG 3.23Å; T46-L50 WeakPolarHBondContact O-CG 3.33Å; T46-L50 PolarHBondContact O-N 3.05Å; L50-L52 VanDerWaalsContact C-N 3.32Å; L50-L52 PolarHBondContact O-N 2.98Å; L50-K53 PolarHBondContact O-N 3.34Å; L50-G54 PolarHBondContact O-N 2.94Å; L50-F83 HydrophobicContact CB-CE1 4.3Å; L50-F83 WeakPolarHBondContact O-CE1 3.48Å; L50-V87 HydrophobicContact CB-CG1 3.96Å; L50-V87 HydrophobicContact CB-CG2 4.49Å; L50-V87 HydrophobicContact CD1-CG1 4.27Å; L50-L129 HydrophobicContact CD2-CD1 3.97Å; L50-L129 HydrophobicContact CD2-CD2 3.88Å; L50-F149 HydrophobicContact CD2-CZ 3.88Å; L50-V245 HydrophobicContact CD1-CG2 3.71Å
51	A	98.3	Very high	97.6	Very high	2 Å²	2	61.7 Å²	61.7	2%	0.017	30%	0.301	C	S	.	.	H	α-helix	trans	-59.4	-43.7	177.9	0	0	0	0	0	111.8	V47 E48 Y49 G55 D84	V47-A51 WeakPolarHBondContact O-CB 3.39Å; V47-A51 PolarHBondContact O-N 2.85Å; E48-A51 PolarHBondContact O-N 3.04Å; Y49-A51 VanDerWaalsContact C-N 3.35Å; Y49-A51 PolarHBondContact O-N 2.91Å; A51-G55 WeakPolarHBondContact O-CA 3.43Å; A51-G55 PolarHBondContact O-N 3.31Å; A51-D84 HydrophobicContact CB-CB 3.8Å; A51-D84 WeakPolarHBondContact O-CB 3.42Å
52	L	98.3	Very high	97.6	Very high	137 Å²	137	62.9 Å²	62.9	72%	0.717	31%	0.306	S	S	*	.	H	α-helix	trans	-64.5	-47.2	177.2	-179.5	65.2	0	0	0	112.3	E48 Y49 L50	E48-L52 VanDerWaalsContact O-CB 3.32Å; E48-L52 WeakPolarHBondContact O-CB 3.33Å; E48-L52 PolarHBondContact O-N 3.21Å; Y49-L52 PolarHBondContact O-N 3.25Å; L50-L52 VanDerWaalsContact C-N 3.32Å; L50-L52 PolarHBondContact O-N 2.98Å
53	K	97.8	Very high	97.7	Very high	79 Å²	79	60.7 Å²	60.7	34%	0.343	29%	0.293	S	S	.	.	H	α-helix	trans	-79.8	-35.6	-172.9	-72.7	-61.6	-163	161.3	0	114.2	Y49 L50 D128 L129	Y49-K53 HydrophobicContact CD1-CG 4.13Å; Y49-K53 HydrophobicContact CD2-CG 4.42Å; Y49-K53 HydrophobicContact CE1-CB 4.46Å; Y49-K53 HydrophobicContact CE1-CG 3.73Å; Y49-K53 HydrophobicContact CE2-CG 4.02Å; Y49-K53 HydrophobicContact CG-CG 4.47Å; Y49-K53 WeakPolarHBondContact O-CB 3.37Å; Y49-K53 WeakPolarHBondContact O-CG 3.43Å; Y49-K53 PolarHBondContact O-N 2.81Å; L50-K53 PolarHBondContact O-N 3.34Å; K53-D128 HydrophobicContact CD-CB 4.22Å; K53-L129 HydrophobicContact CB-CD2 3.56Å; K53-L129 HydrophobicContact CB-CG 4Å; K53-L129 HydrophobicContact CG-CD2 4.27Å
54	G	95.6	Very high	97.7	Very high	10 Å²	10	54 Å²	54	10%	0.103	26%	0.258	C	S	.	.	H	α-helix	trans	-81.5	-23.5	174.5	0	0	0	0	0	113.1	L50 F83	L50-G54 PolarHBondContact O-N 2.94Å; G54-F83 VanDerWaalsContact CA-CD1 3.46Å
55	G	95.9	Very high	97.6	Very high	21 Å²	21	51.2 Å²	51.2	22%	0.216	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.2	-148	170.4	0	0	0	0	0	113.9	A51 R57 F83 D84	A51-G55 WeakPolarHBondContact O-CA 3.43Å; A51-G55 PolarHBondContact O-N 3.31Å; G55-R57 PolarHBondContact O-N 2.94Å; G55-F83 WeakPolarHBondContact O-CB 3.4Å; G55-F83 PolarHBondContact O-N 2.89Å; G55-D84 WeakPolarHBondContact O-CB 3.25Å; G55-D84 PolarHBondContact O-N 3.35Å
56	Q	97.3	Very high	97.4	Very high	129 Å²	129	54.1 Å²	54.1	60%	0.603	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	21	-173.4	-65.7	-75.8	-44.6	0	0	113.2	E58 D84	Q56-E58 PolarHBondContact O-N 3.08Å; Q56-D84 PolarHBondContact NE2-OD1 3.35Å; Q56-D84 PolarHBondContact NE2-OD2 3.46Å
57	R	95	Very high	97	Very high	92 Å²	92	54 Å²	54	35%	0.347	28%	0.275	S	S	.	.			trans	-65.4	123.2	177.2	-176.7	176.5	-170.3	122.8	7.6	109.1	G55 V59 F83 E113 Q125	G55-R57 PolarHBondContact O-N 2.94Å; R57-V59 PolarHBondContact O-N 2.79Å; R57-F83 WeakPolarHBondContact O-CB 3.47Å; R57-F83 PolarHBondContact O-N 3.42Å; R57-E113 IonicContact NH2-OE1 2.81Å; R57-E113 PolarHBondContact NH2-OE1 3Å; R57-Q125 WeakPolarHBondContact CD-O 3.32Å; R57-Q125 VanDerWaalsContact CZ-O 3.31Å; R57-Q125 PolarHBondContact NE-O 2.73Å; R57-Q125 PolarHBondContact NH1-O 3.13Å
58	E	97.3	Very high	96.8	Very high	111 Å²	111	55.9 Å²	55.9	52%	0.519	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	125	175.4	-70.3	-65.3	160.5	0	0	111.3	Q56 T80 L81	Q56-E58 PolarHBondContact O-N 3.08Å; E58-T80 HydrophobicContact CB-CG2 3.8Å; E58-T80 HydrophobicContact CG-CG2 4.42Å; E58-T80 WeakPolarHBondContact OE2-CG2 3.37Å; E58-L81 VanDerWaalsContact OE2-C 3.28Å
59	V	97.4	Very high	96.6	Very high	11 Å²	11	49.7 Å²	49.7	7%	0.067	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	138.9	176.8	-70.9	0	0	0	0	111.6	R57 I61 T80 L81 F83 F86 L108 F126	R57-V59 PolarHBondContact O-N 2.79Å; V59-I61 HydrophobicContact CG2-CG2 3.92Å; V59-T80 VanDerWaalsContact O-CA 3.26Å; V59-T80 WeakPolarHBondContact O-CA 3.18Å; V59-T80 VanDerWaalsContact O-CG2 3.32Å; V59-T80 WeakPolarHBondContact O-CG2 3.32Å; V59-L81 WeakPolarHBondContact CG2-O 3.48Å; V59-L81 PolarHBondContact N-O 3.28Å; V59-L81 PolarHBondContact O-N 3.32Å; V59-F83 HydrophobicContact CG1-CB 4.24Å; V59-F83 HydrophobicContact CG1-CD2 3.92Å; V59-F83 HydrophobicContact CG2-CB 4.35Å; V59-F83 HydrophobicContact CG2-CD2 4.32Å; V59-F86 HydrophobicContact CG2-CB 4.19Å; V59-F86 HydrophobicContact CG2-CD1 4.15Å; V59-F86 HydrophobicContact CG2-CG 4.26Å; V59-L108 HydrophobicContact CB-CD1 3.93Å; V59-L108 HydrophobicContact CG1-CD1 4.42Å; V59-L108 HydrophobicContact CG1-CD2 4.5Å; V59-L108 HydrophobicContact CG2-CD1 4.44Å; V59-F126 HydrophobicContact CG1-CZ 3.84Å
60	K	97.5	Very high	96.3	Very high	118 Å²	118	48.4 Å²	48.4	51%	0.513	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	122.9	173.4	-68.1	-177.9	-177.9	174.7	0	109.6	R79 L108 L111	K60-R79 WeakPolarHBondContact CA-O 3.35Å; K60-L108 WeakPolarHBondContact O-CD1 3.12Å; K60-L111 HydrophobicContact CD-CD1 4.23Å
61	I	98	Very high	96	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	153.3	-175.1	64.9	179.2	0	0	0	110.6	V59 V63 Y78 R79 L81 F86 Y106 Y107 L108	V59-I61 HydrophobicContact CG2-CG2 3.92Å; I61-V63 HydrophobicContact CD1-CG2 4.17Å; I61-V63 HydrophobicContact CG1-CG2 4.09Å; I61-Y78 WeakPolarHBondContact O-CA 3.23Å; I61-R79 HydrophobicContact CG1-CB 4.15Å; I61-R79 PolarHBondContact N-O 2.89Å; I61-R79 PolarHBondContact O-N 2.93Å; I61-L81 HydrophobicContact CD1-CB 4.19Å; I61-L81 HydrophobicContact CD1-CD1 3.64Å; I61-L81 HydrophobicContact CD1-CG 3.87Å; I61-F86 HydrophobicContact CB-CD2 4.33Å; I61-F86 HydrophobicContact CB-CE2 4.46Å; I61-F86 HydrophobicContact CD1-CD2 3.98Å; I61-F86 HydrophobicContact CG2-CD1 4.49Å; I61-F86 HydrophobicContact CG2-CD2 3.6Å; I61-F86 HydrophobicContact CG2-CE2 3.87Å; I61-F86 HydrophobicContact CG2-CG 3.94Å; I61-F86 HydrophobicContact CG2-CZ 4.45Å; I61-Y106 HydrophobicContact CD1-CD1 3.79Å; I61-Y106 HydrophobicContact CD1-CE1 4.23Å; I61-Y107 CarbonylContact C-O 3.51Å; I61-Y107 WeakPolarHBondContact CA-O 3.45Å; I61-L108 HydrophobicContact CG2-CB 4.33Å; I61-L108 HydrophobicContact CG2-CD1 4.22Å
62	H	98.4	Very high	95.6	Very high	24 Å²	24	51.8 Å²	51.8	11%	0.111	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	135.2	167.3	-54.3	71.6	0	0	0	108.7	M69 F76 I77 Y78 Y106 Y107	H62-M69 HydrophobicContact CB-CE 3.64Å; H62-F76 HydrophobicContact CB-CD2 4.37Å; H62-F76 AromaticContact CD2-CD2 3.69Å; H62-F76 AromaticContact CD2-CE2 3.53Å; H62-I77 CarbonylContact C-O 3.49Å; H62-I77 WeakPolarHBondContact CA-O 3.46Å; H62-Y78 AromaticContact CD2-CE1 3.53Å; H62-Y78 AromaticContact CD2-CZ 3.86Å; H62-Y78 AromaticContact CE1-CE1 3.73Å; H62-Y78 AromaticContact NE2-CE1 3.19Å; H62-Y78 WeakPolarHBondContact NE2-CE1 3.35Å; H62-Y78 AromaticContact NE2-CZ 3.63Å; H62-Y78 PolarHBondContact NE2-OH 2.87Å; H62-Y106 WeakPolarHBondContact O-CA 3.33Å; H62-Y107 HydrophobicContact CB-CD1 4.27Å; H62-Y107 AromaticContact CG-CD1 3.94Å; H62-Y107 PolarHBondContact N-O 3.1Å; H62-Y107 AromaticContact ND1-CD1 3.52Å; H62-Y107 PolarHBondContact O-N 2.85Å
63	V	98.2	Very high	95.3	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	129.7	177	-168.2	0	0	0	0	108.6	I61 F76 I77 R79 F99 L100 E104 S105 Y106	I61-V63 HydrophobicContact CD1-CG2 4.17Å; I61-V63 HydrophobicContact CG1-CG2 4.09Å; V63-F76 CarbonylContact O-C 3.52Å; V63-F76 VanDerWaalsContact O-CA 3.26Å; V63-F76 WeakPolarHBondContact O-CA 3.43Å; V63-F76 WeakPolarHBondContact O-CB 3.43Å; V63-I77 HydrophobicContact CB-CD1 4.43Å; V63-I77 HydrophobicContact CB-CG1 3.87Å; V63-I77 HydrophobicContact CG2-CG1 4.48Å; V63-I77 PolarHBondContact N-O 2.75Å; V63-I77 PolarHBondContact O-N 2.95Å; V63-R79 HydrophobicContact CG2-CB 3.95Å; V63-R79 HydrophobicContact CG2-CG 3.96Å; V63-F99 HydrophobicContact CG1-CB 4.37Å; V63-F99 HydrophobicContact CG1-CD2 4.27Å; V63-F99 HydrophobicContact CG2-CD2 3.97Å; V63-F99 HydrophobicContact CG2-CE2 4.4Å; V63-L100 HydrophobicContact CG1-CD1 4.3Å; V63-E104 HydrophobicContact CG1-CB 4.15Å; V63-E104 HydrophobicContact CG1-CG 3.9Å; V63-E104 WeakPolarHBondContact CG1-OE1 3.13Å; V63-E104 WeakPolarHBondContact CG1-OE2 3.18Å; V63-S105 WeakPolarHBondContact CA-O 3.19Å; V63-Y106 HydrophobicContact CB-CD1 4.48Å; V63-Y106 HydrophobicContact CG1-CD1 4.16Å; V63-Y106 HydrophobicContact CG1-CE1 3.89Å; V63-Y106 HydrophobicContact CG2-CD1 3.88Å; V63-Y106 HydrophobicContact CG2-CE1 3.94Å
64	S	97.4	Very high	95.1	Very high	1 Å²	1	55.5 Å²	55.5	1%	0.007	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	137.1	-178.4	-175.5	0	0	0	0	110.6	V66 E104 S105	S64-V66 VanDerWaalsContact CB-O 3.31Å; S64-V66 WeakPolarHBondContact CB-O 3.42Å; S64-V66 PolarHBondContact O-N 2.98Å; S64-V66 PolarHBondContact OG-N 2.93Å; S64-V66 PolarHBondContact OG-O 2.85Å; S64-E104 CarbonylContact O-C 3.54Å; S64-E104 WeakPolarHBondContact O-CA 3.41Å; S64-E104 WeakPolarHBondContact O-CB 3.26Å; S64-S105 PolarHBondContact N-O 2.82Å; S64-S105 PolarHBondContact O-N 2.84Å
65	S	95.9	Very high	95.1	Very high	65 Å²	65	57.5 Å²	57.5	46%	0.455	29%	0.287	S	S	.	.	S	Bend	trans	-77.3	-9.6	173.8	56	0	0	0	0	113.3
66	V	94.3	Very high	95.1	Very high	64 Å²	64	57.4 Å²	57.4	39%	0.388	28%	0.281	S	S	.	.	S	Bend	trans	-127.2	144.8	174.6	-64.4	0	0	0	0	110.5	S64 Q68 N75	S64-V66 VanDerWaalsContact CB-O 3.31Å; S64-V66 WeakPolarHBondContact CB-O 3.42Å; S64-V66 PolarHBondContact O-N 2.98Å; S64-V66 PolarHBondContact OG-N 2.93Å; S64-V66 PolarHBondContact OG-O 2.85Å; V66-Q68 VanDerWaalsContact C-N 3.34Å; V66-Q68 PolarHBondContact O-N 3.44Å; V66-N75 VanDerWaalsContact CG2-ND2 3.27Å; V66-N75 WeakPolarHBondContact CG2-ND2 3.17Å
67	P	89.7	Confident	95.1	Very high	62 Å²	62	53.2 Å²	53.2	40%	0.403	26%	0.262	S	S	.	.	S	Bend	trans	-67.9	-30.1	-176.1	-21.4	32.6	0	0	0	114.2	M69 G155 L156 Q157	P67-M69 PolarHBondContact O-N 2.94Å; P67-G155 WeakPolarHBondContact CB-O 3.42Å; P67-L156 WeakPolarHBondContact O-CA 3.34Å; P67-Q157 PolarHBondContact O-N 3.02Å
68	Q	95	Very high	95.3	Very high	68 Å²	68	55.8 Å²	55.8	32%	0.318	27%	0.273	S	S	.	.	B	Isolated β-bridge	trans	-83.3	105.5	176.8	-172.8	176.2	69.7	0	0	110.3	V66 N75	V66-Q68 VanDerWaalsContact C-N 3.34Å; V66-Q68 PolarHBondContact O-N 3.44Å; Q68-N75 PolarHBondContact O-ND2 3.29Å
69	M	94.6	Very high	95.3	Very high	2 Å²	2	55.5 Å²	55.5	1%	0.01	27%	0.267	C	S	.	.			trans	-79.4	139.1	179.6	-64.9	-179.3	69.1	0	0	111.5	H62 P67 F76 L156 Q157 L158 W159	H62-M69 HydrophobicContact CB-CE 3.64Å; P67-M69 PolarHBondContact O-N 2.94Å; M69-F76 HydrophobicContact CB-CD1 4.37Å; M69-F76 HydrophobicContact CE-CB 3.73Å; M69-F76 HydrophobicContact CE-CD1 3.57Å; M69-F76 HydrophobicContact CE-CD2 3.69Å; M69-F76 HydrophobicContact CE-CE1 4.08Å; M69-F76 HydrophobicContact CE-CE2 4.2Å; M69-F76 HydrophobicContact CE-CG 3.35Å; M69-F76 HydrophobicContact CE-CZ 4.37Å; M69-L156 HydrophobicContact SD-CD1 4.09Å; M69-L156 HydrophobicContact SD-CD2 3.94Å; M69-L156 HydrophobicContact SD-CG 4.21Å; M69-Q157 PolarHBondContact N-O 2.95Å; M69-Q157 VanDerWaalsContact N-O 3.1Å; M69-L158 HydrophobicContact SD-CD2 3.75Å; M69-W159 HydrophobicContact CB-CE3 4.09Å; M69-W159 HydrophobicContact CB-CZ3 3.88Å; M69-W159 HydrophobicContact CE-CZ3 4.23Å
70	D	92.4	Very high	95.3	Very high	20 Å²	20	58.2 Å²	58.2	11%	0.107	28%	0.284	C	S	.	.			trans	-121.2	112.3	-176.1	-177	-22.8	0	0	0	109.9	L72 H73 K74 N75 F76 L199	D70-L72 WeakPolarHBondContact OD1-CA 3.41Å; D70-L72 VanDerWaalsContact OD1-CB 3.29Å; D70-L72 WeakPolarHBondContact OD1-CB 3.46Å; D70-L72 PolarHBondContact OD1-N 3.36Å; D70-H73 PolarHBondContact OD1-N 3.29Å; D70-H73 IonicContact OD1-ND1 3.76Å; D70-H73 IonicContact OD2-CE1 3.91Å; D70-H73 IonicContact OD2-CG 2.82Å; D70-H73 IonicContact OD2-ND1 3.09Å; D70-H73 PolarHBondContact OD2-ND1 2.96Å; D70-K74 WeakPolarHBondContact O-CA 3.3Å; D70-K74 PolarHBondContact O-N 3.1Å; D70-N75 HydrophobicContact CB-CB 4.24Å; D70-N75 PolarHBondContact N-OD1 2.89Å; D70-N75 PolarHBondContact O-N 3.14Å; D70-F76 WeakPolarHBondContact O-CE1 3.38Å; D70-L199 HydrophobicContact CB-CD1 3.81Å; D70-L199 WeakPolarHBondContact OD1-CD1 3.33Å; D70-L199 WeakPolarHBondContact OD2-CD1 3.19Å
71	F	92.1	Very high	95.3	Very high	21 Å²	21	53.1 Å²	53.1	9%	0.092	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-19.3	176.9	73.9	-81.4	0	0	0	114.1	W159 K195 S196 L199	F71-W159 HydrophobicContact CB-CD2 3.7Å; F71-W159 HydrophobicContact CB-CE3 3.66Å; F71-W159 HydrophobicContact CB-CG 4.38Å; F71-W159 HydrophobicContact CB-CH2 3.93Å; F71-W159 HydrophobicContact CB-CZ2 3.97Å; F71-W159 HydrophobicContact CB-CZ3 3.77Å; F71-W159 HydrophobicContact CD1-CB 3.63Å; F71-W159 AromaticContact CD1-CD1 3.99Å; F71-W159 AromaticContact CD1-CD2 3.67Å; F71-W159 HydrophobicContact CD1-CD2 3.67Å; F71-W159 HydrophobicContact CD1-CE3 4.07Å; F71-W159 AromaticContact CD1-CG 3.45Å; F71-W159 HydrophobicContact CD1-CG 3.45Å; F71-W159 VanDerWaalsContact CD1-CG 3.45Å; F71-W159 HydrophobicContact CE1-CB 3.95Å; F71-W159 HydrophobicContact CE1-CG 4.1Å; F71-W159 HydrophobicContact CG-CD2 4.03Å; F71-W159 HydrophobicContact CG-CE3 4.34Å; F71-W159 HydrophobicContact CG-CG 4.19Å; F71-K195 HydrophobicContact CB-CD 4.28Å; F71-K195 HydrophobicContact CD1-CB 4.45Å; F71-K195 HydrophobicContact CD1-CD 4.19Å; F71-K195 HydrophobicContact CD2-CB 4.28Å; F71-K195 HydrophobicContact CD2-CD 3.48Å; F71-K195 VanDerWaalsContact CD2-CD 3.48Å; F71-K195 HydrophobicContact CE1-CB 3.93Å; F71-K195 HydrophobicContact CE1-CD 4.44Å; F71-K195 HydrophobicContact CE2-CB 3.71Å; F71-K195 HydrophobicContact CE2-CD 3.75Å; F71-K195 HydrophobicContact CE2-CG 4.39Å; F71-K195 HydrophobicContact CG-CD 3.7Å; F71-K195 HydrophobicContact CZ-CB 3.51Å; F71-K195 HydrophobicContact CZ-CD 4.24Å; F71-K195 HydrophobicContact CZ-CG 4.49Å; F71-S196 WeakPolarHBondContact CE1-O 3.49Å; F71-S196 VanDerWaalsContact CZ-O 3.26Å; F71-S196 WeakPolarHBondContact CZ-O 3.39Å; F71-L199 HydrophobicContact CD1-CD2 3.89Å; F71-L199 HydrophobicContact CE1-CD2 3.82Å
72	L	89.6	Confident	95.4	Very high	53 Å²	53	53.8 Å²	53.8	28%	0.277	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-51.3	179.6	-62	171.9	0	0	0	109.6	D70 E197	D70-L72 WeakPolarHBondContact OD1-CA 3.41Å; D70-L72 VanDerWaalsContact OD1-CB 3.29Å; D70-L72 WeakPolarHBondContact OD1-CB 3.46Å; D70-L72 PolarHBondContact OD1-N 3.36Å; L72-E197 HydrophobicContact CD1-CB 4.08Å; L72-E197 HydrophobicContact CD1-CG 4.26Å; L72-E197 HydrophobicContact CD2-CG 4.03Å
73	H	92.6	Very high	95.4	Very high	137 Å²	137	52.7 Å²	52.7	63%	0.634	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-8.2	179.6	-53	102.2	0	0	0	113.1	D70	D70-H73 PolarHBondContact OD1-N 3.29Å; D70-H73 IonicContact OD1-ND1 3.76Å; D70-H73 IonicContact OD2-CE1 3.91Å; D70-H73 IonicContact OD2-CG 2.82Å; D70-H73 IonicContact OD2-ND1 3.09Å; D70-H73 PolarHBondContact OD2-ND1 2.96Å
74	K	92.4	Very high	95.4	Very high	156 Å²	156	53.4 Å²	53.4	68%	0.678	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	57.7	-179.9	-60	179.6	-178.5	174.2	0	111.9	D70 F76	D70-K74 WeakPolarHBondContact O-CA 3.3Å; D70-K74 PolarHBondContact O-N 3.1Å; K74-F76 PolarHBondContact O-N 2.9Å
75	N	95.4	Very high	95.4	Very high	53 Å²	53	56.2 Å²	56.2	28%	0.283	28%	0.278	S	S	.	.			trans	-74.5	15.9	-180	73.4	-15.7	0	0	0	114.6	V66 Q68 D70	V66-N75 VanDerWaalsContact CG2-ND2 3.27Å; V66-N75 WeakPolarHBondContact CG2-ND2 3.17Å; Q68-N75 PolarHBondContact O-ND2 3.29Å; D70-N75 HydrophobicContact CB-CB 4.24Å; D70-N75 PolarHBondContact N-OD1 2.89Å; D70-N75 PolarHBondContact O-N 3.14Å
76	F	97.1	Very high	95.5	Very high	18 Å²	18	53.1 Å²	53.1	8%	0.079	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	157.6	-178.2	62.8	-90.8	0	0	0	109.9	H62 V63 M69 D70 K74 Y78 W159	H62-F76 HydrophobicContact CB-CD2 4.37Å; H62-F76 AromaticContact CD2-CD2 3.69Å; H62-F76 AromaticContact CD2-CE2 3.53Å; V63-F76 CarbonylContact O-C 3.52Å; V63-F76 VanDerWaalsContact O-CA 3.26Å; V63-F76 WeakPolarHBondContact O-CA 3.43Å; V63-F76 WeakPolarHBondContact O-CB 3.43Å; M69-F76 HydrophobicContact CB-CD1 4.37Å; M69-F76 HydrophobicContact CE-CB 3.73Å; M69-F76 HydrophobicContact CE-CD1 3.57Å; M69-F76 HydrophobicContact CE-CD2 3.69Å; M69-F76 HydrophobicContact CE-CE1 4.08Å; M69-F76 HydrophobicContact CE-CE2 4.2Å; M69-F76 HydrophobicContact CE-CG 3.35Å; M69-F76 HydrophobicContact CE-CZ 4.37Å; D70-F76 WeakPolarHBondContact O-CE1 3.38Å; K74-F76 PolarHBondContact O-N 2.9Å; F76-Y78 AromaticContact CE2-CE2 3.86Å; F76-Y78 HydrophobicContact CE2-CE2 3.86Å; F76-Y78 AromaticContact CE2-CZ 3.86Å; F76-W159 HydrophobicContact CD1-CZ3 4.16Å; F76-W159 AromaticContact CE1-CH2 3.62Å; F76-W159 HydrophobicContact CE1-CH2 3.62Å; F76-W159 AromaticContact CE1-CZ3 3.4Å; F76-W159 HydrophobicContact CE1-CZ3 3.4Å; F76-W159 VanDerWaalsContact CE1-CZ3 3.4Å; F76-W159 AromaticContact CZ-CH2 3.56Å; F76-W159 HydrophobicContact CZ-CH2 3.56Å; F76-W159 AromaticContact CZ-CZ3 3.88Å; F76-W159 HydrophobicContact CZ-CZ3 3.88Å
77	I	97.6	Very high	95.7	Very high	42 Å²	42	50 Å²	50	22%	0.215	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	157.7	178.5	65.2	179.7	0	0	0	110.8	H62 V63 R79 F99 L100	H62-I77 CarbonylContact C-O 3.49Å; H62-I77 WeakPolarHBondContact CA-O 3.46Å; V63-I77 HydrophobicContact CB-CD1 4.43Å; V63-I77 HydrophobicContact CB-CG1 3.87Å; V63-I77 HydrophobicContact CG2-CG1 4.48Å; V63-I77 PolarHBondContact N-O 2.75Å; V63-I77 PolarHBondContact O-N 2.95Å; I77-R79 HydrophobicContact CD1-CG 4.04Å; I77-R79 VanDerWaalsContact CD1-CZ 3.5Å; I77-R79 HydrophobicContact CG1-CG 4.23Å; I77-F99 HydrophobicContact CD1-CB 4.28Å; I77-L100 HydrophobicContact CD1-CD1 3.89Å; I77-L100 HydrophobicContact CD1-CD2 3.77Å; I77-L100 HydrophobicContact CD1-CG 3.69Å; I77-L100 HydrophobicContact CG1-CD1 4.03Å; I77-L100 HydrophobicContact CG1-CG 4.39Å
78	Y	97.5	Very high	96.1	Very high	145 Å²	145	52.3 Å²	52.3	57%	0.569	24%	0.238	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-93.1	133	169	-66	-88	0	0	0	110	I61 H62 F76	I61-Y78 WeakPolarHBondContact O-CA 3.23Å; H62-Y78 AromaticContact CD2-CE1 3.53Å; H62-Y78 AromaticContact CD2-CZ 3.86Å; H62-Y78 AromaticContact CE1-CE1 3.73Å; H62-Y78 AromaticContact NE2-CE1 3.19Å; H62-Y78 WeakPolarHBondContact NE2-CE1 3.35Å; H62-Y78 AromaticContact NE2-CZ 3.63Å; H62-Y78 PolarHBondContact NE2-OH 2.87Å; F76-Y78 AromaticContact CE2-CE2 3.86Å; F76-Y78 HydrophobicContact CE2-CE2 3.86Å; F76-Y78 AromaticContact CE2-CZ 3.86Å
79	R	97.8	Very high	96.3	Very high	105 Å²	105	50 Å²	50	40%	0.396	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	169.7	171.9	-69.7	-66.2	178.4	-96.2	7.3	110	K60 I61 V63 I77 F99	K60-R79 WeakPolarHBondContact CA-O 3.35Å; I61-R79 HydrophobicContact CG1-CB 4.15Å; I61-R79 PolarHBondContact N-O 2.89Å; I61-R79 PolarHBondContact O-N 2.93Å; V63-R79 HydrophobicContact CG2-CB 3.95Å; V63-R79 HydrophobicContact CG2-CG 3.96Å; I77-R79 HydrophobicContact CD1-CG 4.04Å; I77-R79 VanDerWaalsContact CD1-CZ 3.5Å; I77-R79 HydrophobicContact CG1-CG 4.23Å; R79-F99 HydrophobicContact CB-CD2 4.39Å; R79-F99 HydrophobicContact CB-CE1 4.24Å; R79-F99 HydrophobicContact CB-CE2 4.02Å; R79-F99 HydrophobicContact CB-CZ 3.93Å; R79-F99 HydrophobicContact CG-CD1 3.83Å; R79-F99 HydrophobicContact CG-CD2 4.06Å; R79-F99 HydrophobicContact CG-CE1 3.93Å; R79-F99 HydrophobicContact CG-CE2 4.14Å; R79-F99 HydrophobicContact CG-CG 3.88Å; R79-F99 HydrophobicContact CG-CZ 4.07Å
80	T	97.9	Very high	96.4	Very high	69 Å²	69	49.9 Å²	49.9	42%	0.423	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	137.3	172.5	-41.8	0	0	0	0	107.5	E58 V59	E58-T80 HydrophobicContact CB-CG2 3.8Å; E58-T80 HydrophobicContact CG-CG2 4.42Å; E58-T80 WeakPolarHBondContact OE2-CG2 3.37Å; V59-T80 VanDerWaalsContact O-CA 3.26Å; V59-T80 WeakPolarHBondContact O-CA 3.18Å; V59-T80 VanDerWaalsContact O-CG2 3.32Å; V59-T80 WeakPolarHBondContact O-CG2 3.32Å
81	L	98.1	Very high	96.7	Very high	11 Å²	11	50.8 Å²	50.8	6%	0.058	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	154.8	172.2	-78.1	-178.1	0	0	0	109.4	E58 V59 I61 F83 F86 F99	E58-L81 VanDerWaalsContact OE2-C 3.28Å; V59-L81 WeakPolarHBondContact CG2-O 3.48Å; V59-L81 PolarHBondContact N-O 3.28Å; V59-L81 PolarHBondContact O-N 3.32Å; I61-L81 HydrophobicContact CD1-CB 4.19Å; I61-L81 HydrophobicContact CD1-CD1 3.64Å; I61-L81 HydrophobicContact CD1-CG 3.87Å; L81-F83 PolarHBondContact O-N 3.48Å; L81-F86 HydrophobicContact CB-CB 4.05Å; L81-F86 HydrophobicContact CD1-CB 4.26Å; L81-F99 HydrophobicContact CD1-CE2 3.96Å; L81-F99 HydrophobicContact CD1-CZ 4.33Å; L81-F99 HydrophobicContact CD2-CE2 4.15Å; L81-F99 HydrophobicContact CD2-CZ 3.68Å; L81-F99 HydrophobicContact CG-CE2 4.02Å; L81-F99 HydrophobicContact CG-CZ 3.93Å
82	P	98.4	Very high	96.9	Very high	14 Å²	14	54 Å²	54	9%	0.091	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.1	135.9	158	-23.6	34.4	0	0	0	110.4	D84 E85 F86	P82-D84 VanDerWaalsContact C-N 3.3Å; P82-D84 WeakPolarHBondContact CB-OD1 3.34Å; P82-D84 PolarHBondContact O-N 3.01Å; P82-E85 HydrophobicContact CB-CB 4.2Å; P82-E85 WeakPolarHBondContact O-CB 3.34Å; P82-E85 PolarHBondContact O-N 3Å; P82-F86 PolarHBondContact O-N 2.93Å
83	F	98.6	Very high	97.1	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-57.5	-42.9	-173.7	177.3	-92.7	0	0	0	112.6	L50 G54 G55 R57 V59 L81 E85 F86 V87 L108 F126 L129 F149 I151	L50-F83 HydrophobicContact CB-CE1 4.3Å; L50-F83 WeakPolarHBondContact O-CE1 3.48Å; G54-F83 VanDerWaalsContact CA-CD1 3.46Å; G55-F83 WeakPolarHBondContact O-CB 3.4Å; G55-F83 PolarHBondContact O-N 2.89Å; R57-F83 WeakPolarHBondContact O-CB 3.47Å; R57-F83 PolarHBondContact O-N 3.42Å; V59-F83 HydrophobicContact CG1-CB 4.24Å; V59-F83 HydrophobicContact CG1-CD2 3.92Å; V59-F83 HydrophobicContact CG2-CB 4.35Å; V59-F83 HydrophobicContact CG2-CD2 4.32Å; L81-F83 PolarHBondContact O-N 3.48Å; F83-E85 PolarHBondContact O-N 3.46Å; F83-F86 HydrophobicContact CD2-CD1 4.31Å; F83-F86 PolarHBondContact O-N 2.89Å; F83-V87 HydrophobicContact CD1-CG2 3.96Å; F83-V87 HydrophobicContact CD2-CG2 4.34Å; F83-V87 HydrophobicContact CE1-CG2 3.5Å; F83-V87 HydrophobicContact CE2-CG2 3.93Å; F83-V87 HydrophobicContact CG-CG2 4.38Å; F83-V87 HydrophobicContact CZ-CG2 3.49Å; F83-V87 VanDerWaalsContact CZ-CG2 3.49Å; F83-V87 WeakPolarHBondContact O-CG2 3.11Å; F83-V87 PolarHBondContact O-N 3.35Å; F83-L108 HydrophobicContact CD2-CD2 4.2Å; F83-L108 HydrophobicContact CE2-CD2 3.89Å; F83-F126 HydrophobicContact CB-CE1 4.39Å; F83-F126 HydrophobicContact CD1-CE1 4.34Å; F83-F126 AromaticContact CD2-CE1 3.51Å; F83-F126 HydrophobicContact CD2-CE1 3.51Å; F83-F126 AromaticContact CD2-CZ 3.64Å; F83-F126 HydrophobicContact CD2-CZ 3.64Å; F83-F126 AromaticContact CE2-CE1 3.74Å; F83-F126 HydrophobicContact CE2-CE1 3.74Å; F83-F126 AromaticContact CE2-CZ 3.81Å; F83-F126 HydrophobicContact CE2-CZ 3.81Å; F83-F126 AromaticContact CG-CE1 3.82Å; F83-F126 HydrophobicContact CG-CE1 3.82Å; F83-F126 HydrophobicContact CG-CZ 4.37Å; F83-F126 HydrophobicContact CZ-CE1 4.25Å; F83-L129 HydrophobicContact CE1-CD1 4.28Å; F83-L129 HydrophobicContact CZ-CD1 4.26Å; F83-F149 HydrophobicContact CE2-CD1 4.16Å; F83-F149 AromaticContact CE2-CE1 3.88Å; F83-F149 HydrophobicContact CE2-CE1 3.88Å; F83-F149 HydrophobicContact CZ-CD1 4.33Å; F83-F149 AromaticContact CZ-CE1 3.59Å; F83-F149 HydrophobicContact CZ-CE1 3.59Å; F83-F149 HydrophobicContact CZ-CZ 4.41Å; F83-I151 HydrophobicContact CE2-CD1 3.85Å; F83-I151 HydrophobicContact CZ-CD1 3.76Å
84	D	98.4	Very high	97.2	Very high	16 Å²	16	55.3 Å²	55.3	9%	0.086	26%	0.262	C	S	.	.	H	α-helix	trans	-64.1	-39.4	-179.7	73	-42.8	0	0	0	113.2	A51 G55 Q56 P82 R88	A51-D84 HydrophobicContact CB-CB 3.8Å; A51-D84 WeakPolarHBondContact O-CB 3.42Å; G55-D84 WeakPolarHBondContact O-CB 3.25Å; G55-D84 PolarHBondContact O-N 3.35Å; Q56-D84 PolarHBondContact NE2-OD1 3.35Å; Q56-D84 PolarHBondContact NE2-OD2 3.46Å; P82-D84 VanDerWaalsContact C-N 3.3Å; P82-D84 WeakPolarHBondContact CB-OD1 3.34Å; P82-D84 PolarHBondContact O-N 3.01Å; D84-R88 VanDerWaalsContact C-NH1 3.27Å; D84-R88 WeakPolarHBondContact O-CG 3.42Å; D84-R88 PolarHBondContact O-N 3.31Å; D84-R88 PolarHBondContact O-NH1 3.38Å; D84-R88 VanDerWaalsContact O-NH1 3.12Å; D84-R88 IonicContact OD2-CZ 3.23Å; D84-R88 IonicContact OD2-NH1 2.85Å; D84-R88 PolarHBondContact OD2-NH1 3.4Å; D84-R88 IonicContact OD2-NH2 2.74Å
85	E	98.3	Very high	97.4	Very high	59 Å²	59	48.1 Å²	48.1	28%	0.276	23%	0.231	S	C	.	.	H	α-helix	trans	-65.8	-47.6	172.9	-172.7	179.8	167.3	0	0	111.2	P82 F83 V87 R88 R89	P82-E85 HydrophobicContact CB-CB 4.2Å; P82-E85 WeakPolarHBondContact O-CB 3.34Å; P82-E85 PolarHBondContact O-N 3Å; F83-E85 PolarHBondContact O-N 3.46Å; E85-V87 VanDerWaalsContact C-N 3.35Å; E85-V87 PolarHBondContact O-N 3.42Å; E85-R88 PolarHBondContact O-N 3.31Å; E85-R89 WeakPolarHBondContact O-CG 3.45Å; E85-R89 PolarHBondContact O-N 3.12Å; E85-R89 IonicContact OE1-CZ 2.98Å; E85-R89 IonicContact OE1-NE 3.2Å; E85-R89 PolarHBondContact OE1-NE 3.05Å; E85-R89 IonicContact OE1-NH2 2.76Å; E85-R89 PolarHBondContact OE1-NH2 2.63Å
86	F	98.4	Very high	97.3	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-55.9	-47.3	176.1	155.4	-105.8	0	0	0	112	V59 I61 L81 P82 F83 R88 R89 A90 L108 I151	V59-F86 HydrophobicContact CG2-CB 4.19Å; V59-F86 HydrophobicContact CG2-CD1 4.15Å; V59-F86 HydrophobicContact CG2-CG 4.26Å; I61-F86 HydrophobicContact CB-CD2 4.33Å; I61-F86 HydrophobicContact CB-CE2 4.46Å; I61-F86 HydrophobicContact CD1-CD2 3.98Å; I61-F86 HydrophobicContact CG2-CD1 4.49Å; I61-F86 HydrophobicContact CG2-CD2 3.6Å; I61-F86 HydrophobicContact CG2-CE2 3.87Å; I61-F86 HydrophobicContact CG2-CG 3.94Å; I61-F86 HydrophobicContact CG2-CZ 4.45Å; L81-F86 HydrophobicContact CB-CB 4.05Å; L81-F86 HydrophobicContact CD1-CB 4.26Å; P82-F86 PolarHBondContact O-N 2.93Å; F83-F86 HydrophobicContact CD2-CD1 4.31Å; F83-F86 PolarHBondContact O-N 2.89Å; F86-R88 VanDerWaalsContact C-N 3.33Å; F86-R88 PolarHBondContact O-N 3.48Å; F86-R89 PolarHBondContact O-N 2.78Å; F86-A90 HydrophobicContact CD2-CB 4.32Å; F86-A90 HydrophobicContact CE2-CB 3.85Å; F86-A90 HydrophobicContact CZ-CB 4.1Å; F86-A90 VanDerWaalsContact O-CB 3.25Å; F86-A90 WeakPolarHBondContact O-CB 3.27Å; F86-A90 PolarHBondContact O-N 3.44Å; F86-L108 HydrophobicContact CD1-CD2 4.16Å; F86-L108 HydrophobicContact CE1-CB 3.54Å; F86-L108 HydrophobicContact CE1-CD2 3.56Å; F86-L108 HydrophobicContact CE1-CG 4.17Å; F86-L108 HydrophobicContact CE2-CB 4.09Å; F86-L108 HydrophobicContact CZ-CB 3.29Å; F86-L108 HydrophobicContact CZ-CD2 4.24Å; F86-L108 HydrophobicContact CZ-CG 4.38Å; F86-I151 HydrophobicContact CE1-CB 3.76Å; F86-I151 HydrophobicContact CE1-CD1 4.05Å; F86-I151 HydrophobicContact CE1-CG1 4.4Å; F86-I151 HydrophobicContact CE1-CG2 3.78Å; F86-I151 HydrophobicContact CZ-CB 3.68Å; F86-I151 HydrophobicContact CZ-CG2 3.63Å
87	V	98.4	Very high	97.2	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-63.7	-40.1	-177.1	171.3	0	0	0	0	111.3	V47 L50 F83 E85 A90 A91 I151 F243	V47-V87 HydrophobicContact CG1-CG1 4.14Å; L50-V87 HydrophobicContact CB-CG1 3.96Å; L50-V87 HydrophobicContact CB-CG2 4.49Å; L50-V87 HydrophobicContact CD1-CG1 4.27Å; F83-V87 HydrophobicContact CD1-CG2 3.96Å; F83-V87 HydrophobicContact CD2-CG2 4.34Å; F83-V87 HydrophobicContact CE1-CG2 3.5Å; F83-V87 HydrophobicContact CE2-CG2 3.93Å; F83-V87 HydrophobicContact CG-CG2 4.38Å; F83-V87 HydrophobicContact CZ-CG2 3.49Å; F83-V87 VanDerWaalsContact CZ-CG2 3.49Å; F83-V87 WeakPolarHBondContact O-CG2 3.11Å; F83-V87 PolarHBondContact O-N 3.35Å; E85-V87 VanDerWaalsContact C-N 3.35Å; E85-V87 PolarHBondContact O-N 3.42Å; V87-A90 PolarHBondContact O-N 2.99Å; V87-A91 PolarHBondContact O-N 2.53Å; V87-I151 HydrophobicContact CG2-CD1 3.9Å; V87-F243 HydrophobicContact CG1-CZ 4.18Å
88	R	98.4	Very high	97.2	Very high	109 Å²	109	57.3 Å²	57.3	41%	0.411	29%	0.287	S	S	.	.	H	α-helix	trans	-63.2	-51.1	175.7	-67.9	178.1	-163.7	106	-4.4	111.1	V47 D84 E85 F86 A90 A91 E92	V47-R88 HydrophobicContact CG1-CG 4.11Å; D84-R88 VanDerWaalsContact C-NH1 3.27Å; D84-R88 WeakPolarHBondContact O-CG 3.42Å; D84-R88 PolarHBondContact O-N 3.31Å; D84-R88 PolarHBondContact O-NH1 3.38Å; D84-R88 VanDerWaalsContact O-NH1 3.12Å; D84-R88 IonicContact OD2-CZ 3.23Å; D84-R88 IonicContact OD2-NH1 2.85Å; D84-R88 PolarHBondContact OD2-NH1 3.4Å; D84-R88 IonicContact OD2-NH2 2.74Å; E85-R88 PolarHBondContact O-N 3.31Å; F86-R88 VanDerWaalsContact C-N 3.33Å; F86-R88 PolarHBondContact O-N 3.48Å; R88-A90 VanDerWaalsContact C-N 3.32Å; R88-A90 PolarHBondContact O-N 2.89Å; R88-A91 PolarHBondContact O-N 3Å; R88-A91 VanDerWaalsContact O-N 3.12Å; R88-E92 PolarHBondContact O-N 3.21Å
89	R	98	Very high	97.2	Very high	19 Å²	19	54 Å²	54	7%	0.072	28%	0.276	C	S	.	.	H	α-helix	trans	-60.4	-41.1	177.3	-66.5	-171.4	-169.9	-149.4	-0.5	111.8	E85 F86 A91 E92 H95 D97 Y106	E85-R89 WeakPolarHBondContact O-CG 3.45Å; E85-R89 PolarHBondContact O-N 3.12Å; E85-R89 IonicContact OE1-CZ 2.98Å; E85-R89 IonicContact OE1-NE 3.2Å; E85-R89 PolarHBondContact OE1-NE 3.05Å; E85-R89 IonicContact OE1-NH2 2.76Å; E85-R89 PolarHBondContact OE1-NH2 2.63Å; F86-R89 PolarHBondContact O-N 2.78Å; R89-A91 PolarHBondContact O-N 2.92Å; R89-E92 PolarHBondContact O-N 2.9Å; R89-E92 VanDerWaalsContact O-N 3.11Å; R89-H95 PolarHBondContact O-CE1 3.18Å; R89-H95 PolarHBondContact O-ND1 2.68Å; R89-D97 IonicContact CZ-OD2 3.31Å; R89-D97 PolarHBondContact NH1-O 2.85Å; R89-D97 IonicContact NH1-OD1 3.79Å; R89-D97 IonicContact NH1-OD2 2.9Å; R89-D97 IonicContact NH2-OD1 3.82Å; R89-D97 IonicContact NH2-OD2 3.9Å; R89-D97 PolarHBondContact NH2-OD2 3.33Å; R89-Y106 HydrophobicContact CB-CD2 4.06Å; R89-Y106 HydrophobicContact CB-CE2 3.6Å
90	A	97.9	Very high	97.2	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-62.9	-29.6	179	0	0	0	0	0	112.9	F86 V87 R88 I151 S153 F243	F86-A90 HydrophobicContact CD2-CB 4.32Å; F86-A90 HydrophobicContact CE2-CB 3.85Å; F86-A90 HydrophobicContact CZ-CB 4.1Å; F86-A90 VanDerWaalsContact O-CB 3.25Å; F86-A90 WeakPolarHBondContact O-CB 3.27Å; F86-A90 PolarHBondContact O-N 3.44Å; V87-A90 PolarHBondContact O-N 2.99Å; R88-A90 VanDerWaalsContact C-N 3.32Å; R88-A90 PolarHBondContact O-N 2.89Å; A90-I151 HydrophobicContact CB-CG2 4.29Å; A90-S153 WeakPolarHBondContact CA-OG 3.43Å; A90-S153 VanDerWaalsContact O-CA 3.29Å; A90-S153 WeakPolarHBondContact O-CA 3.31Å; A90-S153 PolarHBondContact O-OG 2.77Å; A90-F243 HydrophobicContact CB-CD2 4.22Å; A90-F243 HydrophobicContact CB-CE2 3.92Å; A90-F243 WeakPolarHBondContact O-CD2 3.39Å
91	A	97.8	Very high	97.1	Very high	39 Å²	39	51 Å²	51	32%	0.322	27%	0.269	S	S	.	.	H	α-helix	trans	-80.5	-17.2	177.6	0	0	0	0	0	113.9	V47 V87 R88 R89 F243	V47-A91 HydrophobicContact CG1-CB 4.26Å; V47-A91 HydrophobicContact CG2-CB 3.55Å; V87-A91 PolarHBondContact O-N 2.53Å; R88-A91 PolarHBondContact O-N 3Å; R88-A91 VanDerWaalsContact O-N 3.12Å; R89-A91 PolarHBondContact O-N 2.92Å; A91-F243 HydrophobicContact CB-CB 4.47Å; A91-F243 HydrophobicContact CB-CD1 4.15Å; A91-F243 HydrophobicContact CB-CD2 3.86Å; A91-F243 HydrophobicContact CB-CE1 4.38Å; A91-F243 HydrophobicContact CB-CE2 4.08Å; A91-F243 HydrophobicContact CB-CG 3.88Å; A91-F243 HydrophobicContact CB-CZ 4.33Å
92	E	96.7	Very high	97	Very high	89 Å²	89	55 Å²	55	42%	0.416	29%	0.288	S	S	.	.			trans	-84.5	157.2	177.7	-71	171.3	-173.9	0	0	111.8	R88 R89 H95	R88-E92 PolarHBondContact O-N 3.21Å; R89-E92 PolarHBondContact O-N 2.9Å; R89-E92 VanDerWaalsContact O-N 3.11Å; E92-H95 PolarHBondContact O-CE1 2.86Å; E92-H95 IonicContact OE2-ND1 3.3Å
93	T	93.4	Very high	96.9	Very high	106 Å²	106	59.7 Å²	59.7	65%	0.65	31%	0.309	S	S	*	.	S	Bend	trans	-100.5	-29.3	171.2	-52.5	0	0	0	0	111.9	E103	T93-E103 WeakPolarHBondContact O-CA 3.49Å
94	K	95.4	Very high	96.8	Very high	112 Å²	112	59.9 Å²	59.9	49%	0.487	31%	0.309	S	S	.	.	S	Bend	trans	-127.8	127.3	178.1	-73.8	179.8	164	-118.1	0	108.6	E102 E103	K94-E102 CarbonylContact C-O 3.51Å; K94-E102 WeakPolarHBondContact CA-O 3.45Å; K94-E102 HydrophobicContact CB-CG 4.29Å; K94-E102 WeakPolarHBondContact CD-OE1 3.33Å; K94-E102 HydrophobicContact CG-CG 4.41Å; K94-E102 IonicContact NZ-OE1 2.65Å; K94-E102 PolarHBondContact NZ-OE1 2.59Å; K94-E103 WeakPolarHBondContact CE-OE1 3.48Å; K94-E103 HydrophobicContact CG-CG 3.92Å; K94-E103 IonicContact NZ-OE1 3.54Å; K94-E103 PolarHBondContact NZ-OE1 3.28Å
95	H	95.3	Very high	96.8	Very high	5 Å²	5	59.5 Å²	59.5	2%	0.023	31%	0.308	C	S	.	.			trans	-109	133.9	-173.3	-43.9	-66.4	0	0	0	109.8	R89 E92 D97 F98 E102 E104 Y106	R89-H95 PolarHBondContact O-CE1 3.18Å; R89-H95 PolarHBondContact O-ND1 2.68Å; E92-H95 PolarHBondContact O-CE1 2.86Å; E92-H95 IonicContact OE2-ND1 3.3Å; H95-D97 VanDerWaalsContact C-N 3.31Å; H95-D97 VanDerWaalsContact CB-O 3.31Å; H95-D97 WeakPolarHBondContact CB-O 3.45Å; H95-F98 HydrophobicContact CB-CB 4.27Å; H95-F98 WeakPolarHBondContact O-CD1 3.39Å; H95-E102 PolarHBondContact CD2-O 3.21Å; H95-E102 PolarHBondContact N-O 2.71Å; H95-E104 PolarHBondContact NE2-O 2.76Å; H95-Y106 AromaticContact CD2-CE2 3.86Å; H95-Y106 AromaticContact CE1-CE2 3.6Å; H95-Y106 AromaticContact ND1-CE2 3.87Å; H95-Y106 AromaticContact NE2-CE2 3.57Å
96	S	94.6	Very high	96.8	Very high	124 Å²	124	56.7 Å²	56.7	87%	0.867	30%	0.295	S	S	*	.	S	Bend	trans	-73	-28.8	172.6	56.7	0	0	0	0	112.5
97	D	95.1	Very high	96.8	Very high	92 Å²	92	57.6 Å²	57.6	49%	0.492	30%	0.298	S	S	.	.	S	Bend	trans	-124.5	130.2	173	-176.2	3.4	0	0	0	108.2	R89 H95	R89-D97 IonicContact CZ-OD2 3.31Å; R89-D97 PolarHBondContact NH1-O 2.85Å; R89-D97 IonicContact NH1-OD1 3.79Å; R89-D97 IonicContact NH1-OD2 2.9Å; R89-D97 IonicContact NH2-OD1 3.82Å; R89-D97 IonicContact NH2-OD2 3.9Å; R89-D97 PolarHBondContact NH2-OD2 3.33Å; H95-D97 VanDerWaalsContact C-N 3.31Å; H95-D97 VanDerWaalsContact CB-O 3.31Å; H95-D97 WeakPolarHBondContact CB-O 3.45Å
98	F	97.1	Very high	96.8	Very high	90 Å²	90	57.7 Å²	57.7	40%	0.395	30%	0.299	S	S	.	.			trans	-152.2	161.2	-170.3	54.1	-96.3	0	0	0	111.2	H95 A101 E102 E104	H95-F98 HydrophobicContact CB-CB 4.27Å; H95-F98 WeakPolarHBondContact O-CD1 3.39Å; F98-A101 VanDerWaalsContact CB-O 3.3Å; F98-A101 WeakPolarHBondContact CB-O 3.29Å; F98-A101 VanDerWaalsContact CD2-C 3.5Å; F98-A101 WeakPolarHBondContact CG-O 3.38Å; F98-E102 HydrophobicContact CE1-CB 4.32Å; F98-E104 WeakPolarHBondContact CA-OE1 3.28Å; F98-E104 HydrophobicContact CB-CG 4.29Å
99	F	97.6	Very high	96.8	Very high	75 Å²	75	54 Å²	54	33%	0.329	29%	0.285	S	S	.	.	S	Bend	trans	-95.4	-35.9	-179.3	-65	-76.5	0	0	0	114.1	V63 I77 R79 L81 E104 Y106	V63-F99 HydrophobicContact CG1-CB 4.37Å; V63-F99 HydrophobicContact CG1-CD2 4.27Å; V63-F99 HydrophobicContact CG2-CD2 3.97Å; V63-F99 HydrophobicContact CG2-CE2 4.4Å; I77-F99 HydrophobicContact CD1-CB 4.28Å; R79-F99 HydrophobicContact CB-CD2 4.39Å; R79-F99 HydrophobicContact CB-CE1 4.24Å; R79-F99 HydrophobicContact CB-CE2 4.02Å; R79-F99 HydrophobicContact CB-CZ 3.93Å; R79-F99 HydrophobicContact CG-CD1 3.83Å; R79-F99 HydrophobicContact CG-CD2 4.06Å; R79-F99 HydrophobicContact CG-CE1 3.93Å; R79-F99 HydrophobicContact CG-CE2 4.14Å; R79-F99 HydrophobicContact CG-CG 3.88Å; R79-F99 HydrophobicContact CG-CZ 4.07Å; L81-F99 HydrophobicContact CD1-CE2 3.96Å; L81-F99 HydrophobicContact CD1-CZ 4.33Å; L81-F99 HydrophobicContact CD2-CE2 4.15Å; L81-F99 HydrophobicContact CD2-CZ 3.68Å; L81-F99 HydrophobicContact CG-CE2 4.02Å; L81-F99 HydrophobicContact CG-CZ 3.93Å; F99-E104 WeakPolarHBondContact CD2-OE1 3.49Å; F99-E104 PolarHBondContact N-OE1 2.86Å; F99-E104 PolarHBondContact N-OE2 3.12Å; F99-Y106 HydrophobicContact CD2-CE1 4.05Å; F99-Y106 HydrophobicContact CE2-CE1 4.18Å
100	L	96.7	Very high	96.7	Very high	78 Å²	78	53.4 Å²	53.4	41%	0.408	28%	0.284	S	S	.	.	S	Bend	trans	-122	-51.2	-172.8	-67	175.7	0	0	0	111.4	V63 I77 E104	V63-L100 HydrophobicContact CG1-CD1 4.3Å; I77-L100 HydrophobicContact CD1-CD1 3.89Å; I77-L100 HydrophobicContact CD1-CD2 3.77Å; I77-L100 HydrophobicContact CD1-CG 3.69Å; I77-L100 HydrophobicContact CG1-CD1 4.03Å; I77-L100 HydrophobicContact CG1-CG 4.39Å; L100-E104 WeakPolarHBondContact CA-OE2 3.43Å; L100-E104 VanDerWaalsContact CB-OE2 3.29Å; L100-E104 WeakPolarHBondContact CB-OE2 3.5Å; L100-E104 PolarHBondContact N-OE2 3.41Å
101	A	96.4	Very high	96.6	Very high	33 Å²	33	55.3 Å²	55.3	27%	0.273	29%	0.294	S	S	.	.			trans	-156	156.8	-175.3	0	0	0	0	0	112.5	F98 E103 E104	F98-A101 VanDerWaalsContact CB-O 3.3Å; F98-A101 WeakPolarHBondContact CB-O 3.29Å; F98-A101 VanDerWaalsContact CD2-C 3.5Å; F98-A101 WeakPolarHBondContact CG-O 3.38Å; A101-E103 PolarHBondContact O-N 3.21Å; A101-E104 PolarHBondContact N-OE2 2.81Å; A101-E104 WeakPolarHBondContact O-CB 3.46Å; A101-E104 WeakPolarHBondContact O-CG 3.46Å; A101-E104 PolarHBondContact O-N 3.26Å; A101-E104 VanDerWaalsContact O-N 3.13Å
102	E	96.6	Very high	96.3	Very high	95 Å²	95	53.8 Å²	53.8	44%	0.444	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-34.9	179	-173.1	-170.7	149.7	0	0	112.8	K94 H95 F98	K94-E102 CarbonylContact C-O 3.51Å; K94-E102 WeakPolarHBondContact CA-O 3.45Å; K94-E102 HydrophobicContact CB-CG 4.29Å; K94-E102 WeakPolarHBondContact CD-OE1 3.33Å; K94-E102 HydrophobicContact CG-CG 4.41Å; K94-E102 IonicContact NZ-OE1 2.65Å; K94-E102 PolarHBondContact NZ-OE1 2.59Å; H95-E102 PolarHBondContact CD2-O 3.21Å; H95-E102 PolarHBondContact N-O 2.71Å; F98-E102 HydrophobicContact CE1-CB 4.32Å
103	E	96.1	Very high	95.9	Very high	113 Å²	113	55 Å²	55	53%	0.528	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	31.1	-178.7	-64.5	178.1	-179.7	0	0	112.2	T93 K94 A101	T93-E103 WeakPolarHBondContact O-CA 3.49Å; K94-E103 WeakPolarHBondContact CE-OE1 3.48Å; K94-E103 HydrophobicContact CG-CG 3.92Å; K94-E103 IonicContact NZ-OE1 3.54Å; K94-E103 PolarHBondContact NZ-OE1 3.28Å; A101-E103 PolarHBondContact O-N 3.21Å
104	E	97.1	Very high	95.8	Very high	3 Å²	3	52.5 Å²	52.5	1%	0.014	27%	0.27	C	S	.	.			trans	-67.3	152.4	177.3	71.8	-173.1	-162.2	0	0	112.9	V63 S64 H95 F98 F99 L100 A101 Y106	V63-E104 HydrophobicContact CG1-CB 4.15Å; V63-E104 HydrophobicContact CG1-CG 3.9Å; V63-E104 WeakPolarHBondContact CG1-OE1 3.13Å; V63-E104 WeakPolarHBondContact CG1-OE2 3.18Å; S64-E104 CarbonylContact O-C 3.54Å; S64-E104 WeakPolarHBondContact O-CA 3.41Å; S64-E104 WeakPolarHBondContact O-CB 3.26Å; H95-E104 PolarHBondContact NE2-O 2.76Å; F98-E104 WeakPolarHBondContact CA-OE1 3.28Å; F98-E104 HydrophobicContact CB-CG 4.29Å; F99-E104 WeakPolarHBondContact CD2-OE1 3.49Å; F99-E104 PolarHBondContact N-OE1 2.86Å; F99-E104 PolarHBondContact N-OE2 3.12Å; L100-E104 WeakPolarHBondContact CA-OE2 3.43Å; L100-E104 VanDerWaalsContact CB-OE2 3.29Å; L100-E104 WeakPolarHBondContact CB-OE2 3.5Å; L100-E104 PolarHBondContact N-OE2 3.41Å; A101-E104 PolarHBondContact N-OE2 2.81Å; A101-E104 WeakPolarHBondContact O-CB 3.46Å; A101-E104 WeakPolarHBondContact O-CG 3.46Å; A101-E104 PolarHBondContact O-N 3.26Å; A101-E104 VanDerWaalsContact O-N 3.13Å; E104-Y106 HydrophobicContact CG-CE1 4.32Å; E104-Y106 HydrophobicContact CG-CE2 3.98Å; E104-Y106 WeakPolarHBondContact OE1-CE1 3.37Å; E104-Y106 PolarHBondContact OE1-OH 2.87Å
105	S	97.5	Very high	95.3	Very high	9 Å²	9	48.9 Å²	48.9	6%	0.063	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	141.9	178.1	-58.2	0	0	0	0	110.5	V63 S64	V63-S105 WeakPolarHBondContact CA-O 3.19Å; S64-S105 PolarHBondContact N-O 2.82Å; S64-S105 PolarHBondContact O-N 2.84Å
106	Y	98.3	Very high	94.9	Very high	0 Å²	0	59 Å²	59	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	142.1	179.7	-59.5	-82.5	0	0	0	111.6	I61 H62 V63 R89 H95 F99 E104 S152 S153 L156	I61-Y106 HydrophobicContact CD1-CD1 3.79Å; I61-Y106 HydrophobicContact CD1-CE1 4.23Å; H62-Y106 WeakPolarHBondContact O-CA 3.33Å; V63-Y106 HydrophobicContact CB-CD1 4.48Å; V63-Y106 HydrophobicContact CG1-CD1 4.16Å; V63-Y106 HydrophobicContact CG1-CE1 3.89Å; V63-Y106 HydrophobicContact CG2-CD1 3.88Å; V63-Y106 HydrophobicContact CG2-CE1 3.94Å; R89-Y106 HydrophobicContact CB-CD2 4.06Å; R89-Y106 HydrophobicContact CB-CE2 3.6Å; H95-Y106 AromaticContact CD2-CE2 3.86Å; H95-Y106 AromaticContact CE1-CE2 3.6Å; H95-Y106 AromaticContact ND1-CE2 3.87Å; H95-Y106 AromaticContact NE2-CE2 3.57Å; F99-Y106 HydrophobicContact CD2-CE1 4.05Å; F99-Y106 HydrophobicContact CE2-CE1 4.18Å; E104-Y106 HydrophobicContact CG-CE1 4.32Å; E104-Y106 HydrophobicContact CG-CE2 3.98Å; E104-Y106 WeakPolarHBondContact OE1-CE1 3.37Å; E104-Y106 PolarHBondContact OE1-OH 2.87Å; Y106-S152 WeakPolarHBondContact O-CA 3.26Å; Y106-S153 PolarHBondContact N-OG 3.41Å; Y106-S153 PolarHBondContact O-N 2.89Å; Y106-S153 PolarHBondContact O-OG 2.98Å; Y106-L156 WeakPolarHBondContact O-CD1 3.41Å
107	Y	98.6	Very high	94.6	Very high	18 Å²	18	60.7 Å²	60.7	7%	0.071	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	133.8	171.9	171.7	-115	0	0	0	111.5	I61 H62 R109 R150 I151 L156 L158	I61-Y107 CarbonylContact C-O 3.51Å; I61-Y107 WeakPolarHBondContact CA-O 3.45Å; H62-Y107 HydrophobicContact CB-CD1 4.27Å; H62-Y107 AromaticContact CG-CD1 3.94Å; H62-Y107 PolarHBondContact N-O 3.1Å; H62-Y107 AromaticContact ND1-CD1 3.52Å; H62-Y107 PolarHBondContact O-N 2.85Å; Y107-R109 HydrophobicContact CE1-CB 4.01Å; Y107-R150 WeakPolarHBondContact OH-CD 3.27Å; Y107-R150 PolarHBondContact OH-NH1 2.84Å; Y107-I151 CarbonylContact C-O 3.59Å; Y107-I151 WeakPolarHBondContact CA-O 3.36Å; Y107-I151 WeakPolarHBondContact CD2-O 3.49Å; Y107-L156 HydrophobicContact CD2-CD2 4.49Å; Y107-L156 HydrophobicContact CG-CD2 4.41Å; Y107-L158 HydrophobicContact CD1-CD2 3.97Å; Y107-L158 HydrophobicContact CE1-CD1 3.95Å; Y107-L158 HydrophobicContact CE1-CD2 3.88Å; Y107-L158 HydrophobicContact CE2-CD1 3.79Å; Y107-L158 HydrophobicContact CG-CD2 4.37Å; Y107-L158 VanDerWaalsContact CZ-CD1 3.44Å; Y107-L158 WeakPolarHBondContact OH-CD1 3.33Å
108	L	98.4	Very high	94.4	Very high	2 Å²	2	58.7 Å²	58.7	1%	0.01	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	128.5	170.7	173.5	64.8	0	0	0	109.3	V59 K60 I61 F83 F86 R150 I151	V59-L108 HydrophobicContact CB-CD1 3.93Å; V59-L108 HydrophobicContact CG1-CD1 4.42Å; V59-L108 HydrophobicContact CG1-CD2 4.5Å; V59-L108 HydrophobicContact CG2-CD1 4.44Å; K60-L108 WeakPolarHBondContact O-CD1 3.12Å; I61-L108 HydrophobicContact CG2-CB 4.33Å; I61-L108 HydrophobicContact CG2-CD1 4.22Å; F83-L108 HydrophobicContact CD2-CD2 4.2Å; F83-L108 HydrophobicContact CE2-CD2 3.89Å; F86-L108 HydrophobicContact CD1-CD2 4.16Å; F86-L108 HydrophobicContact CE1-CB 3.54Å; F86-L108 HydrophobicContact CE1-CD2 3.56Å; F86-L108 HydrophobicContact CE1-CG 4.17Å; F86-L108 HydrophobicContact CE2-CB 4.09Å; F86-L108 HydrophobicContact CZ-CB 3.29Å; F86-L108 HydrophobicContact CZ-CD2 4.24Å; F86-L108 HydrophobicContact CZ-CG 4.38Å; L108-R150 WeakPolarHBondContact O-CA 3.37Å; L108-I151 HydrophobicContact CB-CB 4.27Å; L108-I151 HydrophobicContact CD2-CD1 4.41Å; L108-I151 PolarHBondContact N-O 2.89Å; L108-I151 PolarHBondContact O-N 2.93Å; L108-I151 VanDerWaalsContact O-N 3.13Å
109	R	97.8	Very high	94.3	Very high	33 Å²	33	56.4 Å²	56.4	13%	0.125	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	113.6	155.7	179	-135.7	-168.2	-108.9	6.4	107	Y107 L111 V148 Y265	Y107-R109 HydrophobicContact CE1-CB 4.01Å; R109-L111 VanDerWaalsContact NH1-CD2 3.28Å; R109-V148 HydrophobicContact CG-CG1 3.54Å; R109-Y265 PolarHBondContact NH2-O 3.45Å
110	S	96.8	Very high	94.3	Very high	6 Å²	6	52.9 Å²	52.9	4%	0.042	25%	0.253	C	S	.	.			trans	-59.5	151.6	178	72.1	0	0	0	0	111.7	F149	S110-F149 PolarHBondContact N-O 2.87Å; S110-F149 PolarHBondContact OG-N 3.29Å
111	L	94.6	Very high	94.3	Very high	40 Å²	40	50.7 Å²	50.7	21%	0.209	24%	0.242	C	C	.	.			trans	-126.9	156.4	-179.6	-56.7	176.9	0	0	0	108.5	K60 R109 V115 Y265	K60-L111 HydrophobicContact CD-CD1 4.23Å; R109-L111 VanDerWaalsContact NH1-CD2 3.28Å; L111-V115 HydrophobicContact CB-CG2 4.06Å; L111-V115 HydrophobicContact CD1-CG1 3.91Å; L111-V115 HydrophobicContact CD1-CG2 3.83Å; L111-Y265 HydrophobicContact CD2-CE1 3.78Å; L111-Y265 WeakPolarHBondContact CD2-OH 3.46Å
112	G	92.4	Very high	94.4	Very high	6 Å²	6	49.3 Å²	49.3	6%	0.062	23%	0.23	C	C	.	.			trans	-61.9	164.5	166.2	0	0	0	0	0	112	E118 P119	G112-E118 WeakPolarHBondContact CA-O 3.04Å; G112-P119 WeakPolarHBondContact CA-O 3.42Å
113	E	88.9	Confident	94.4	Very high	114 Å²	114	47.9 Å²	47.9	53%	0.533	23%	0.231	S	C	.	.	S	Bend	trans	-63.8	-47.6	-177.9	-57.8	-170.4	140.7	0	0	110.8	R57 R124	R57-E113 IonicContact NH2-OE1 2.81Å; R57-E113 PolarHBondContact NH2-OE1 3Å; E113-R124 IonicContact OE2-NH2 3.72Å
114	D	89.4	Confident	94.4	Very high	54 Å²	54	47.9 Å²	47.9	29%	0.289	23%	0.226	S	C	.	.	S	Bend	trans	-94.6	95.2	162.4	-171.4	-19.6	0	0	0	110.2	R116 K117 E118	D114-R116 PolarHBondContact O-N 3.17Å; D114-R116 PolarHBondContact OD1-N 3.34Å; D114-K117 HydrophobicContact CB-CB 4.25Å; D114-K117 PolarHBondContact O-N 2.97Å; D114-K117 VanDerWaalsContact OD2-CD 3.26Å; D114-K117 WeakPolarHBondContact OD2-CD 3.25Å; D114-K117 VanDerWaalsContact OD2-CE 3.3Å; D114-K117 WeakPolarHBondContact OD2-CE 3.4Å; D114-K117 WeakPolarHBondContact OD2-CG 3.13Å; D114-K117 IonicContact OD2-NZ 3.89Å; D114-K117 PolarHBondContact OD2-NZ 3.04Å; D114-E118 HydrophobicContact CB-CG 4.41Å; D114-E118 PolarHBondContact O-N 2.76Å
115	V	85.9	Confident	94.3	Very high	37 Å²	37	48.1 Å²	48.1	22%	0.224	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-23.6	-179.4	-175.8	0	0	0	0	113.9	L111 P264 Y265	L111-V115 HydrophobicContact CB-CG2 4.06Å; L111-V115 HydrophobicContact CD1-CG1 3.91Å; L111-V115 HydrophobicContact CD1-CG2 3.83Å; V115-P264 WeakPolarHBondContact O-CG 3.49Å; V115-Y265 HydrophobicContact CG1-CE2 4.38Å; V115-Y265 WeakPolarHBondContact CG1-OH 3.45Å
116	R	86.9	Confident	94.2	Very high	217 Å²	217	48.1 Å²	48.1	82%	0.819	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91	-14.8	-179.2	-64.8	-176.9	178.4	-171.8	0.3	113.6	D114	D114-R116 PolarHBondContact O-N 3.17Å; D114-R116 PolarHBondContact OD1-N 3.34Å
117	K	88.1	Confident	94.2	Very high	159 Å²	159	51.2 Å²	51.2	69%	0.691	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-127.6	-29.9	-170.4	-60	-171.8	-164.2	123.5	0	113.7	D114	D114-K117 HydrophobicContact CB-CB 4.25Å; D114-K117 PolarHBondContact O-N 2.97Å; D114-K117 VanDerWaalsContact OD2-CD 3.26Å; D114-K117 WeakPolarHBondContact OD2-CD 3.25Å; D114-K117 VanDerWaalsContact OD2-CE 3.3Å; D114-K117 WeakPolarHBondContact OD2-CE 3.4Å; D114-K117 WeakPolarHBondContact OD2-CG 3.13Å; D114-K117 IonicContact OD2-NZ 3.89Å; D114-K117 PolarHBondContact OD2-NZ 3.04Å
118	E	90.7	Very high	94.1	Very high	51 Å²	51	54 Å²	54	24%	0.238	26%	0.262	C	S	.	.			trans	-114.5	128	-171.3	-63.3	-169.5	140.7	0	0	111	G112 D114 R124	G112-E118 WeakPolarHBondContact CA-O 3.04Å; D114-E118 HydrophobicContact CB-CG 4.41Å; D114-E118 PolarHBondContact O-N 2.76Å; E118-R124 IonicContact OE1-CZ 3.89Å; E118-R124 IonicContact OE1-NH1 3.91Å; E118-R124 PolarHBondContact OE1-NH1 3.29Å; E118-R124 VanDerWaalsContact OE1-NH1 3.09Å; E118-R124 IonicContact OE1-NH2 3.67Å; E118-R124 PolarHBondContact OE1-NH2 3.44Å; E118-R124 IonicContact OE2-CZ 2.63Å; E118-R124 IonicContact OE2-NH1 3.28Å; E118-R124 IonicContact OE2-NH2 3.87Å; E118-R124 PolarHBondContact OE2-NH2 3.22Å
119	P	95.3	Very high	94.1	Very high	41 Å²	41	53.9 Å²	53.9	27%	0.266	26%	0.261	S	S	.	.			trans	-60.6	158.6	165.1	-17.9	30.5	0	0	0	111.6	G112 F145 P264	G112-P119 WeakPolarHBondContact CA-O 3.42Å; P119-F145 HydrophobicContact CB-CZ 4.38Å; P119-F145 HydrophobicContact CG-CD2 4.5Å; P119-F145 HydrophobicContact CG-CE2 4Å; P119-F145 HydrophobicContact CG-CZ 4.15Å; P119-P264 WeakPolarHBondContact CA-O 3.5Å
120	A	97.1	Very high	94.1	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.008	26%	0.264	C	S	.	.			trans	-68.1	145.5	170.3	0	0	0	0	0	110	S146 S147 V148	A120-S146 PolarHBondContact N-OG 3.48Å; A120-S146 VanDerWaalsContact O-CA 3.29Å; A120-S146 WeakPolarHBondContact O-CA 3.34Å; A120-S146 WeakPolarHBondContact O-CB 3.26Å; A120-S146 PolarHBondContact O-OG 2.84Å; A120-S147 CarbonylContact C-O 3.45Å; A120-S147 PolarHBondContact O-N 3.47Å; A120-V148 HydrophobicContact CB-CG2 4.1Å
121	D	97.8	Very high	94.1	Very high	33 Å²	33	60.2 Å²	60.2	18%	0.176	30%	0.295	C	S	.	.			trans	-150.1	106.3	177.8	-174.5	-22	0	0	0	108.1	S123 R124 Q125 S147	D121-S123 VanDerWaalsContact CG-OG 3.28Å; D121-S123 PolarHBondContact O-N 3.18Å; D121-S123 VanDerWaalsContact O-N 3.08Å; D121-S123 WeakPolarHBondContact OD1-CB 3.46Å; D121-S123 PolarHBondContact OD1-N 2.64Å; D121-S123 PolarHBondContact OD1-OG 3.45Å; D121-S123 PolarHBondContact OD2-OG 3.5Å; D121-R124 HydrophobicContact CB-CB 4.21Å; D121-R124 HydrophobicContact CB-CG 4.08Å; D121-R124 WeakPolarHBondContact O-CA 3.17Å; D121-R124 PolarHBondContact O-N 3.04Å; D121-Q125 VanDerWaalsContact N-CD 3.34Å; D121-Q125 PolarHBondContact O-N 2.81Å; D121-Q125 PolarHBondContact O-NE2 2.92Å; D121-Q125 PolarHBondContact O-OE1 2.95Å; D121-S147 WeakPolarHBondContact CA-O 3.07Å; D121-S147 WeakPolarHBondContact CA-OG 3.47Å; D121-S147 PolarHBondContact N-O 3.44Å; D121-S147 PolarHBondContact OD1-OG 2.7Å
122	L	97.3	Very high	94.3	Very high	4 Å²	4	58.5 Å²	58.5	2%	0.021	29%	0.286	C	S	.	.	H	α-helix	trans	-48	-39.2	-179.7	-173.7	69.6	0	0	0	111.7	W45 R124 F126 A130 F133 S147 F149 V247	W45-L122 HydrophobicContact CH2-CD2 4.3Å; L122-R124 VanDerWaalsContact C-N 3.29Å; L122-R124 PolarHBondContact O-N 3.29Å; L122-F126 HydrophobicContact CD1-CB 4.08Å; L122-F126 HydrophobicContact CD1-CD2 4.18Å; L122-F126 CarbonylContact O-C 3.52Å; L122-F126 WeakPolarHBondContact O-CA 3.37Å; L122-F126 PolarHBondContact O-N 2.85Å; L122-A130 HydrophobicContact CD2-CB 4.33Å; L122-A130 HydrophobicContact CG-CB 4.06Å; L122-F133 HydrophobicContact CD2-CB 4.12Å; L122-F133 HydrophobicContact CD2-CD1 4.09Å; L122-F133 HydrophobicContact CD2-CG 4.27Å; L122-S147 PolarHBondContact N-O 3.25Å; L122-S147 PolarHBondContact N-OG 3.03Å; L122-F149 HydrophobicContact CD1-CB 4.01Å; L122-F149 HydrophobicContact CD1-CD1 3.99Å; L122-F149 HydrophobicContact CD1-CD2 4.2Å; L122-F149 HydrophobicContact CD1-CE1 4.45Å; L122-F149 HydrophobicContact CD1-CG 3.85Å; L122-V247 HydrophobicContact CD2-CG1 4.26Å; L122-V247 HydrophobicContact CD2-CG2 4.23Å
123	S	96.6	Very high	94.5	Very high	65 Å²	65	58.9 Å²	58.9	46%	0.455	29%	0.286	S	S	.	.	H	α-helix	trans	-67.5	-27.2	-179.8	72.3	0	0	0	0	113.6	D121 P127	D121-S123 VanDerWaalsContact CG-OG 3.28Å; D121-S123 PolarHBondContact O-N 3.18Å; D121-S123 VanDerWaalsContact O-N 3.08Å; D121-S123 WeakPolarHBondContact OD1-CB 3.46Å; D121-S123 PolarHBondContact OD1-N 2.64Å; D121-S123 PolarHBondContact OD1-OG 3.45Å; D121-S123 PolarHBondContact OD2-OG 3.5Å; S123-P127 WeakPolarHBondContact O-CA 3.28Å
124	R	95.9	Very high	94.9	Very high	113 Å²	113	57.5 Å²	57.5	43%	0.426	28%	0.28	S	S	.	.	H	α-helix	trans	-87.3	-44	177.1	-64.3	-176	64.9	-176.5	-7.1	111.8	E113 E118 D121 L122	E113-R124 IonicContact OE2-NH2 3.72Å; E118-R124 IonicContact OE1-CZ 3.89Å; E118-R124 IonicContact OE1-NH1 3.91Å; E118-R124 PolarHBondContact OE1-NH1 3.29Å; E118-R124 VanDerWaalsContact OE1-NH1 3.09Å; E118-R124 IonicContact OE1-NH2 3.67Å; E118-R124 PolarHBondContact OE1-NH2 3.44Å; E118-R124 IonicContact OE2-CZ 2.63Å; E118-R124 IonicContact OE2-NH1 3.28Å; E118-R124 IonicContact OE2-NH2 3.87Å; E118-R124 PolarHBondContact OE2-NH2 3.22Å; D121-R124 HydrophobicContact CB-CB 4.21Å; D121-R124 HydrophobicContact CB-CG 4.08Å; D121-R124 WeakPolarHBondContact O-CA 3.17Å; D121-R124 PolarHBondContact O-N 3.04Å; L122-R124 VanDerWaalsContact C-N 3.29Å; L122-R124 PolarHBondContact O-N 3.29Å
125	Q	95.1	Very high	95.2	Very high	7 Å²	7	57.6 Å²	57.6	3%	0.033	28%	0.283	C	S	.	.	H	α-helix	trans	-83	-31.8	-175.7	-63.6	100.6	42.5	0	0	113.5	R57 D121	R57-Q125 WeakPolarHBondContact CD-O 3.32Å; R57-Q125 VanDerWaalsContact CZ-O 3.31Å; R57-Q125 PolarHBondContact NE-O 2.73Å; R57-Q125 PolarHBondContact NH1-O 3.13Å; D121-Q125 VanDerWaalsContact N-CD 3.34Å; D121-Q125 PolarHBondContact O-N 2.81Å; D121-Q125 PolarHBondContact O-NE2 2.92Å; D121-Q125 PolarHBondContact O-OE1 2.95Å
126	F	97.1	Very high	95.7	Very high	9 Å²	9	56.5 Å²	56.5	4%	0.039	28%	0.276	C	S	.	.			trans	-138.7	64.4	-177.1	-60.5	-82	0	0	0	110.9	V59 F83 L122 D128 L129 A130 F149	V59-F126 HydrophobicContact CG1-CZ 3.84Å; F83-F126 HydrophobicContact CB-CE1 4.39Å; F83-F126 HydrophobicContact CD1-CE1 4.34Å; F83-F126 AromaticContact CD2-CE1 3.51Å; F83-F126 HydrophobicContact CD2-CE1 3.51Å; F83-F126 AromaticContact CD2-CZ 3.64Å; F83-F126 HydrophobicContact CD2-CZ 3.64Å; F83-F126 AromaticContact CE2-CE1 3.74Å; F83-F126 HydrophobicContact CE2-CE1 3.74Å; F83-F126 AromaticContact CE2-CZ 3.81Å; F83-F126 HydrophobicContact CE2-CZ 3.81Å; F83-F126 AromaticContact CG-CE1 3.82Å; F83-F126 HydrophobicContact CG-CE1 3.82Å; F83-F126 HydrophobicContact CG-CZ 4.37Å; F83-F126 HydrophobicContact CZ-CE1 4.25Å; L122-F126 HydrophobicContact CD1-CB 4.08Å; L122-F126 HydrophobicContact CD1-CD2 4.18Å; L122-F126 CarbonylContact O-C 3.52Å; L122-F126 WeakPolarHBondContact O-CA 3.37Å; L122-F126 PolarHBondContact O-N 2.85Å; F126-D128 VanDerWaalsContact C-N 3.35Å; F126-D128 PolarHBondContact O-N 3.03Å; F126-L129 HydrophobicContact CB-CB 4.08Å; F126-L129 HydrophobicContact CB-CD1 4.16Å; F126-L129 HydrophobicContact CB-CG 4.48Å; F126-L129 HydrophobicContact CD1-CD1 4.15Å; F126-L129 HydrophobicContact CG-CD1 4.36Å; F126-L129 PolarHBondContact O-N 3.5Å; F126-L129 VanDerWaalsContact O-N 3.1Å; F126-A130 WeakPolarHBondContact O-CB 3.47Å; F126-A130 PolarHBondContact O-N 2.82Å; F126-F149 AromaticContact CD2-CD1 3.93Å; F126-F149 HydrophobicContact CD2-CD1 3.93Å; F126-F149 AromaticContact CE2-CD1 3.96Å; F126-F149 HydrophobicContact CE2-CD1 3.96Å; F126-F149 HydrophobicContact CG-CD1 4.41Å; F126-F149 HydrophobicContact CZ-CD1 4.45Å
127	P	96.9	Very high	96.1	Very high	65 Å²	65	55.8 Å²	55.8	42%	0.422	27%	0.273	S	S	.	.	H	α-helix	trans	-54.7	-46.6	-174	21	-32.8	0	0	0	112.9	S123 L129 A130 E131	S123-P127 WeakPolarHBondContact O-CA 3.28Å; P127-L129 VanDerWaalsContact C-N 3.28Å; P127-L129 PolarHBondContact O-N 3.1Å; P127-A130 WeakPolarHBondContact O-CB 3.44Å; P127-A130 PolarHBondContact O-N 2.82Å; P127-A130 VanDerWaalsContact O-N 3.08Å; P127-E131 PolarHBondContact O-N 3.17Å
128	D	96.8	Very high	96.6	Very high	76 Å²	76	48.5 Å²	48.5	41%	0.406	24%	0.242	S	C	.	.	H	α-helix	trans	-61.2	-33.9	179.6	-68.9	22.2	0	0	0	113.6	K53 F126	K53-D128 HydrophobicContact CD-CB 4.22Å; F126-D128 VanDerWaalsContact C-N 3.35Å; F126-D128 PolarHBondContact O-N 3.03Å
129	L	97.8	Very high	96.9	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-80.1	-33.6	175.6	-68.6	174.4	0	0	0	111	W45 Y49 L50 K53 F83 F126 P127 E131 D132 F149	W45-L129 HydrophobicContact CZ2-CB 4.12Å; W45-L129 WeakPolarHBondContact CZ2-O 3.47Å; Y49-L129 HydrophobicContact CD1-CD2 4.3Å; Y49-L129 HydrophobicContact CE1-CD2 3.96Å; L50-L129 HydrophobicContact CD2-CD1 3.97Å; L50-L129 HydrophobicContact CD2-CD2 3.88Å; K53-L129 HydrophobicContact CB-CD2 3.56Å; K53-L129 HydrophobicContact CB-CG 4Å; K53-L129 HydrophobicContact CG-CD2 4.27Å; F83-L129 HydrophobicContact CE1-CD1 4.28Å; F83-L129 HydrophobicContact CZ-CD1 4.26Å; F126-L129 HydrophobicContact CB-CB 4.08Å; F126-L129 HydrophobicContact CB-CD1 4.16Å; F126-L129 HydrophobicContact CB-CG 4.48Å; F126-L129 HydrophobicContact CD1-CD1 4.15Å; F126-L129 HydrophobicContact CG-CD1 4.36Å; F126-L129 PolarHBondContact O-N 3.5Å; F126-L129 VanDerWaalsContact O-N 3.1Å; P127-L129 VanDerWaalsContact C-N 3.28Å; P127-L129 PolarHBondContact O-N 3.1Å; L129-E131 PolarHBondContact O-N 2.82Å; L129-D132 PolarHBondContact O-N 3.04Å; L129-F149 HydrophobicContact CD1-CE1 3.75Å; L129-F149 HydrophobicContact CD1-CZ 4.09Å
130	A	97.6	Very high	97	Very high	22 Å²	22	49.4 Å²	49.4	18%	0.182	24%	0.242	C	C	.	.	H	α-helix	trans	-62.8	-28.5	178.5	0	0	0	0	0	112.6	L122 F126 P127 D132 F133	L122-A130 HydrophobicContact CD2-CB 4.33Å; L122-A130 HydrophobicContact CG-CB 4.06Å; F126-A130 WeakPolarHBondContact O-CB 3.47Å; F126-A130 PolarHBondContact O-N 2.82Å; P127-A130 WeakPolarHBondContact O-CB 3.44Å; P127-A130 PolarHBondContact O-N 2.82Å; P127-A130 VanDerWaalsContact O-N 3.08Å; A130-D132 PolarHBondContact O-N 3.03Å; A130-F133 PolarHBondContact O-N 2.99Å
131	E	97.6	Very high	96.9	Very high	150 Å²	150	54.3 Å²	54.3	70%	0.701	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-27.2	172.9	-68.7	-176.6	179.3	0	0	113.2	P127 L129	P127-E131 PolarHBondContact O-N 3.17Å; L129-E131 PolarHBondContact O-N 2.82Å
132	D	98.3	Very high	96.8	Very high	4 Å²	4	58.5 Å²	58.5	2%	0.021	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-14.2	178.8	-65.4	-47.1	0	0	0	113.3	G39 P40 C41 R44 W45 Y49 L129 A130	G39-D132 CarbonylContact C-O 3.6Å; P40-D132 WeakPolarHBondContact CD-O 3.31Å; P40-D132 HydrophobicContact CG-CB 4.09Å; C41-D132 HydrophobicContact CB-CB 3.98Å; C41-D132 VanDerWaalsContact CB-O 3.26Å; C41-D132 WeakPolarHBondContact CB-O 3.35Å; C41-D132 PolarHBondContact N-O 2.9Å; R44-D132 WeakPolarHBondContact CD-OD1 3.29Å; R44-D132 IonicContact CZ-OD1 3.71Å; R44-D132 IonicContact NH1-OD1 2.82Å; R44-D132 PolarHBondContact NH1-OD1 2.97Å; W45-D132 PolarHBondContact NE1-OD2 3.45Å; Y49-D132 WeakPolarHBondContact CE1-OD2 3.22Å; Y49-D132 VanDerWaalsContact CZ-OD2 3.28Å; Y49-D132 PolarHBondContact OH-OD1 3.21Å; Y49-D132 PolarHBondContact OH-OD2 2.93Å; L129-D132 PolarHBondContact O-N 3.04Å; A130-D132 PolarHBondContact O-N 3.03Å
133	F	98.3	Very high	96.8	Very high	14 Å²	14	62.6 Å²	62.6	6%	0.061	31%	0.312	C	S	.	.			trans	-107	112.9	-173.7	179.7	-102.2	0	0	0	112	L38 C41 W45 L122 A130 T135 A170 V247 V249	L38-F133 HydrophobicContact CD2-CE2 4.34Å; L38-F133 WeakPolarHBondContact O-CA 3.36Å; C41-F133 HydrophobicContact CB-CB 4.48Å; W45-F133 HydrophobicContact CH2-CB 4.09Å; W45-F133 HydrophobicContact CZ2-CB 4.1Å; L122-F133 HydrophobicContact CD2-CB 4.12Å; L122-F133 HydrophobicContact CD2-CD1 4.09Å; L122-F133 HydrophobicContact CD2-CG 4.27Å; A130-F133 PolarHBondContact O-N 2.99Å; F133-T135 WeakPolarHBondContact CE1-OG1 3.49Å; F133-A170 HydrophobicContact CE2-CB 3.75Å; F133-A170 HydrophobicContact CZ-CB 4.01Å; F133-V247 HydrophobicContact CD1-CG1 4.21Å; F133-V247 HydrophobicContact CD2-CB 4.41Å; F133-V247 HydrophobicContact CD2-CG2 4.11Å; F133-V247 HydrophobicContact CE1-CB 4.18Å; F133-V247 HydrophobicContact CE1-CG1 3.71Å; F133-V247 HydrophobicContact CE2-CB 3.93Å; F133-V247 HydrophobicContact CE2-CG1 4.38Å; F133-V247 HydrophobicContact CE2-CG2 4.1Å; F133-V247 HydrophobicContact CG-CG2 4.39Å; F133-V247 HydrophobicContact CZ-CB 3.8Å; F133-V247 HydrophobicContact CZ-CG1 3.81Å; F133-V247 HydrophobicContact CZ-CG2 4.37Å; F133-V249 HydrophobicContact CE1-CG2 3.98Å; F133-V249 HydrophobicContact CZ-CG2 4.22Å
134	H	97.1	Very high	96.9	Very high	85 Å²	85	62.4 Å²	62.4	39%	0.394	30%	0.302	S	S	.	.			trans	-89.9	114.6	174.4	-61.4	165.1	0	0	0	110.5	D37 L38 G39 P136	D37-H134 IonicContact OD2-ND1 3.18Å; D37-H134 PolarHBondContact OD2-ND1 3.1Å; L38-H134 PolarHBondContact O-N 2.91Å; G39-H134 VanDerWaalsContact CA-ND1 3.28Å; G39-H134 WeakPolarHBondContact CA-ND1 3.41Å; H134-P136 WeakPolarHBondContact O-CD 3.33Å
135	T	96	Very high	97	Very high	57 Å²	57	58.1 Å²	58.1	35%	0.35	29%	0.287	S	S	.	.			trans	-75.6	122.9	170.6	-60.7	0	0	0	0	109.6	F133 F139 V249	F133-T135 WeakPolarHBondContact CE1-OG1 3.49Å; T135-F139 HydrophobicContact CG2-CE1 4.34Å; T135-F139 HydrophobicContact CG2-CZ 4.04Å; T135-V249 HydrophobicContact CG2-CG1 3.92Å; T135-V249 HydrophobicContact CG2-CG2 4.21Å
136	P	94.9	Very high	97.2	Very high	13 Å²	13	57.9 Å²	57.9	8%	0.084	29%	0.286	C	S	.	.			trans	-61.5	139.9	177.7	-22.3	33.8	0	0	0	111.5	V36 L38 H134 F138 L227	V36-P136 HydrophobicContact CG1-CB 3.88Å; V36-P136 HydrophobicContact CG1-CG 3.47Å; V36-P136 VanDerWaalsContact CG1-CG 3.47Å; L38-P136 HydrophobicContact CD2-CG 4.2Å; H134-P136 WeakPolarHBondContact O-CD 3.33Å; P136-F138 HydrophobicContact CB-CD1 4.15Å; P136-F138 HydrophobicContact CB-CD2 3.65Å; P136-F138 HydrophobicContact CB-CE1 4.1Å; P136-F138 HydrophobicContact CB-CE2 3.58Å; P136-F138 HydrophobicContact CB-CG 3.93Å; P136-F138 HydrophobicContact CB-CZ 3.82Å; P136-F138 HydrophobicContact CG-CD2 4.44Å; P136-F138 HydrophobicContact CG-CE2 4.18Å; P136-F138 PolarHBondContact O-N 3.13Å; P136-L227 HydrophobicContact CG-CD1 4.08Å
137	R	95.8	Very high	97.2	Very high	202 Å²	202	57.8 Å²	57.8	76%	0.762	29%	0.287	S	S	*	.	S	Bend	trans	-79.6	54	-178.6	-63.8	-175	-179.7	-178	0.8	112.4	R17	R17-R137 WeakPolarHBondContact CD-O 3.35Å; R17-R137 VanDerWaalsContact CG-O 3.3Å; R17-R137 WeakPolarHBondContact CG-O 3.5Å; R17-R137 PolarHBondContact NE-O 2.8Å
138	F	97.8	Very high	97.3	Very high	7 Å²	7	54.7 Å²	54.7	3%	0.031	27%	0.267	C	S	.	.			trans	-91.1	-4.7	-176.7	-70.6	-14.1	0	0	0	114.1	V15 D16 F20 L21 L33 V36 P136 L168 L227	V15-F138 HydrophobicContact CG1-CZ 4.01Å; D16-F138 WeakPolarHBondContact O-CE1 3.33Å; F20-F138 HydrophobicContact CB-CD1 3.75Å; F20-F138 HydrophobicContact CB-CD2 4.36Å; F20-F138 HydrophobicContact CB-CE1 3.82Å; F20-F138 HydrophobicContact CB-CE2 4.44Å; F20-F138 HydrophobicContact CB-CG 4.05Å; F20-F138 HydrophobicContact CB-CZ 4.18Å; F20-F138 HydrophobicContact CD1-CB 3.47Å; F20-F138 VanDerWaalsContact CD1-CB 3.47Å; F20-F138 HydrophobicContact CD1-CD1 4.03Å; F20-F138 HydrophobicContact CD1-CD2 4.07Å; F20-F138 AromaticContact CD1-CG 3.59Å; F20-F138 HydrophobicContact CD1-CG 3.59Å; F20-F138 AromaticContact CD2-CD2 3.91Å; F20-F138 HydrophobicContact CD2-CD2 3.91Å; F20-F138 HydrophobicContact CD2-CE2 4.18Å; F20-F138 HydrophobicContact CD2-CG 4.24Å; F20-F138 HydrophobicContact CE1-CB 3.59Å; F20-F138 HydrophobicContact CE1-CD2 4.35Å; F20-F138 HydrophobicContact CE1-CG 4.08Å; F20-F138 HydrophobicContact CE2-CD2 4.2Å; F20-F138 HydrophobicContact CG-CB 4.09Å; F20-F138 AromaticContact CG-CD1 3.92Å; F20-F138 HydrophobicContact CG-CD1 3.92Å; F20-F138 AromaticContact CG-CD2 3.83Å; F20-F138 HydrophobicContact CG-CD2 3.83Å; F20-F138 HydrophobicContact CG-CE1 4.31Å; F20-F138 HydrophobicContact CG-CE2 4.25Å; F20-F138 AromaticContact CG-CG 3.67Å; F20-F138 HydrophobicContact CG-CG 3.67Å; F20-F138 HydrophobicContact CG-CZ 4.47Å; F20-F138 HydrophobicContact CZ-CB 4.3Å; F20-F138 HydrophobicContact CZ-CD2 4.4Å; L21-F138 VanDerWaalsContact CD2-O 3.31Å; L21-F138 WeakPolarHBondContact CD2-O 3.49Å; L33-F138 HydrophobicContact CD1-CD2 4.26Å; L33-F138 HydrophobicContact CD1-CE2 3.61Å; L33-F138 HydrophobicContact CD1-CZ 4.36Å; V36-F138 HydrophobicContact CG1-CE2 4.39Å; V36-F138 HydrophobicContact CG1-CZ 4.14Å; V36-F138 HydrophobicContact CG2-CE2 4.39Å; V36-F138 HydrophobicContact CG2-CZ 4.11Å; P136-F138 HydrophobicContact CB-CD1 4.15Å; P136-F138 HydrophobicContact CB-CD2 3.65Å; P136-F138 HydrophobicContact CB-CE1 4.1Å; P136-F138 HydrophobicContact CB-CE2 3.58Å; P136-F138 HydrophobicContact CB-CG 3.93Å; P136-F138 HydrophobicContact CB-CZ 3.82Å; P136-F138 HydrophobicContact CG-CD2 4.44Å; P136-F138 HydrophobicContact CG-CE2 4.18Å; P136-F138 PolarHBondContact O-N 3.13Å; F138-L168 HydrophobicContact CD2-CD1 3.87Å; F138-L227 HydrophobicContact CE2-CD2 4.12Å
139	F	97.6	Very high	97.3	Very high	22 Å²	22	51.1 Å²	51.1	10%	0.096	25%	0.247	C	C	.	.	S	Bend	trans	-147	159.5	175.6	55.1	-91.8	0	0	0	109.7	T135 F144 L168 V249 W251	T135-F139 HydrophobicContact CG2-CE1 4.34Å; T135-F139 HydrophobicContact CG2-CZ 4.04Å; F139-F144 HydrophobicContact CE2-CB 4.06Å; F139-F144 HydrophobicContact CE2-CD2 4.2Å; F139-F144 HydrophobicContact CZ-CD2 4.31Å; F139-L168 HydrophobicContact CE1-CD1 4.45Å; F139-V249 HydrophobicContact CE1-CG1 3.88Å; F139-V249 HydrophobicContact CZ-CG1 3.56Å; F139-W251 HydrophobicContact CB-CB 4.49Å; F139-W251 HydrophobicContact CB-CD2 4.21Å; F139-W251 HydrophobicContact CB-CG 3.84Å; F139-W251 HydrophobicContact CD1-CB 4.23Å; F139-W251 AromaticContact CD1-CD2 3.55Å; F139-W251 HydrophobicContact CD1-CD2 3.55Å; F139-W251 AromaticContact CD1-CE2 3.91Å; F139-W251 AromaticContact CD1-CE3 3.81Å; F139-W251 HydrophobicContact CD1-CE3 3.81Å; F139-W251 AromaticContact CD1-CG 3.78Å; F139-W251 HydrophobicContact CD1-CG 3.78Å; F139-W251 HydrophobicContact CD1-CZ2 4.4Å; F139-W251 HydrophobicContact CD1-CZ3 4.38Å; F139-W251 HydrophobicContact CD2-CB 3.76Å; F139-W251 AromaticContact CD2-CG 3.98Å; F139-W251 HydrophobicContact CD2-CG 3.98Å; F139-W251 HydrophobicContact CE1-CB 4.46Å; F139-W251 HydrophobicContact CE1-CD2 4.09Å; F139-W251 AromaticContact CE1-CE3 3.91Å; F139-W251 HydrophobicContact CE1-CE3 3.91Å; F139-W251 HydrophobicContact CE1-CG 4.37Å; F139-W251 HydrophobicContact CE1-CZ3 4.49Å; F139-W251 HydrophobicContact CE2-CB 4.03Å; F139-W251 HydrophobicContact CG-CB 3.89Å; F139-W251 AromaticContact CG-CD1 3.81Å; F139-W251 AromaticContact CG-CD2 3.87Å; F139-W251 HydrophobicContact CG-CD2 3.87Å; F139-W251 AromaticContact CG-CG 3.58Å; F139-W251 HydrophobicContact CG-CG 3.58Å; F139-W251 HydrophobicContact CZ-CB 4.37Å
140	E	96.9	Very high	97.4	Very high	88 Å²	88	52.1 Å²	52.1	41%	0.411	25%	0.251	S	S	.	.			trans	-68.8	139.8	177.2	-65.1	-55.5	139.1	0	0	111.4	R17 D142 R143	R17-E140 IonicContact CZ-OE1 2.71Å; R17-E140 IonicContact NH2-OE1 2.74Å; R17-E140 PolarHBondContact NH2-OE1 3.1Å; E140-D142 WeakPolarHBondContact CB-OD1 3.42Å; E140-D142 PolarHBondContact O-N 2.81Å; E140-D142 VanDerWaalsContact O-N 3.1Å; E140-R143 HydrophobicContact CB-CG 4.41Å; E140-R143 WeakPolarHBondContact O-CB 3.41Å; E140-R143 PolarHBondContact O-N 3.34Å
141	P	95.8	Very high	97.4	Very high	105 Å²	105	51.1 Å²	51.1	68%	0.682	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-55.6	-31.5	-176.1	-28.1	35.3	0	0	0	114.9	R143 F144	P141-R143 PolarHBondContact O-N 2.79Å; P141-F144 VanDerWaalsContact O-CB 3.23Å; P141-F144 WeakPolarHBondContact O-CB 3.33Å; P141-F144 PolarHBondContact O-N 2.97Å
142	D	96.3	Very high	97.4	Very high	120 Å²	120	44.3 Å²	44.3	64%	0.642	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	-70.5	-16.2	177.7	70.9	-41.4	0	0	0	113.3	E140 R252	E140-D142 WeakPolarHBondContact CB-OD1 3.42Å; E140-D142 PolarHBondContact O-N 2.81Å; E140-D142 VanDerWaalsContact O-N 3.1Å; D142-R252 PolarHBondContact O-NH2 2.8Å
143	R	97.5	Very high	97.4	Very high	91 Å²	91	44.2 Å²	44.2	34%	0.343	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-84.2	-15.5	173.2	-65.4	179.9	170.1	-117.9	4.8	113.1	E140 P141 F145 W251 R252 H253	E140-R143 HydrophobicContact CB-CG 4.41Å; E140-R143 WeakPolarHBondContact O-CB 3.41Å; E140-R143 PolarHBondContact O-N 3.34Å; P141-R143 PolarHBondContact O-N 2.79Å; R143-F145 PolarHBondContact O-N 2.92Å; R143-W251 HydrophobicContact CB-CB 4.32Å; R143-W251 CarbonylContact O-C 3.59Å; R143-W251 VanDerWaalsContact O-CA 3.3Å; R143-W251 WeakPolarHBondContact O-CA 3.27Å; R143-W251 WeakPolarHBondContact O-CB 3.38Å; R143-R252 PolarHBondContact NH1-O 3.3Å; R143-R252 PolarHBondContact O-N 3.15Å; R143-H253 PolarHBondContact NH1-O 3.39Å
144	F	98	Very high	97.4	Very high	60 Å²	60	46.6 Å²	46.6	26%	0.263	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.6	135.3	177.3	179.1	-104.5	0	0	0	111	F139 P141 V249 R252	F139-F144 HydrophobicContact CE2-CB 4.06Å; F139-F144 HydrophobicContact CE2-CD2 4.2Å; F139-F144 HydrophobicContact CZ-CD2 4.31Å; P141-F144 VanDerWaalsContact O-CB 3.23Å; P141-F144 WeakPolarHBondContact O-CB 3.33Å; P141-F144 PolarHBondContact O-N 2.97Å; F144-V249 HydrophobicContact CD2-CG1 4.26Å; F144-V249 HydrophobicContact CE2-CG1 4.11Å; F144-R252 PolarHBondContact O-NH2 3.31Å
145	F	98.1	Very high	97.4	Very high	24 Å²	24	43.9 Å²	43.9	11%	0.105	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	-52.5	178	173.8	-106	0	0	0	112	P119 R143 M165 F250 D263	P119-F145 HydrophobicContact CB-CZ 4.38Å; P119-F145 HydrophobicContact CG-CD2 4.5Å; P119-F145 HydrophobicContact CG-CE2 4Å; P119-F145 HydrophobicContact CG-CZ 4.15Å; R143-F145 PolarHBondContact O-N 2.92Å; F145-M165 HydrophobicContact CD1-CE 4.28Å; F145-M165 HydrophobicContact CD1-CG 3.95Å; F145-M165 HydrophobicContact CD2-CE 3.8Å; F145-M165 HydrophobicContact CE1-CE 4.49Å; F145-M165 HydrophobicContact CE1-CG 4.4Å; F145-M165 HydrophobicContact CE2-CE 4.02Å; F145-M165 HydrophobicContact CG-CE 3.93Å; F145-M165 HydrophobicContact CG-CG 4.27Å; F145-M165 HydrophobicContact CG-SD 4.4Å; F145-M165 HydrophobicContact CZ-CE 4.36Å; F145-F250 HydrophobicContact CB-CB 4.44Å; F145-F250 WeakPolarHBondContact CB-O 3.29Å; F145-F250 HydrophobicContact CD1-CB 3.92Å; F145-F250 PolarHBondContact N-O 2.9Å; F145-D263 WeakPolarHBondContact CE2-O 3.46Å; F145-D263 VanDerWaalsContact CZ-O 3.27Å; F145-D263 WeakPolarHBondContact CZ-O 3.34Å
146	S	98.3	Very high	97.5	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.007	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	148	-175.1	-176.6	0	0	0	0	111.6	A120 V148 F250	A120-S146 PolarHBondContact N-OG 3.48Å; A120-S146 VanDerWaalsContact O-CA 3.29Å; A120-S146 WeakPolarHBondContact O-CA 3.34Å; A120-S146 WeakPolarHBondContact O-CB 3.26Å; A120-S146 PolarHBondContact O-OG 2.84Å; S146-V148 WeakPolarHBondContact OG-CG2 3.21Å; S146-F250 PolarHBondContact N-O 3.1Å; S146-F250 PolarHBondContact O-N 3.49Å
147	S	98.4	Very high	97.6	Very high	8 Å²	8	41.5 Å²	41.5	6%	0.056	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	116.8	164.5	54.5	0	0	0	0	109.3	A120 D121 L122 N248	A120-S147 CarbonylContact C-O 3.45Å; A120-S147 PolarHBondContact O-N 3.47Å; D121-S147 WeakPolarHBondContact CA-O 3.07Å; D121-S147 WeakPolarHBondContact CA-OG 3.47Å; D121-S147 PolarHBondContact N-O 3.44Å; D121-S147 PolarHBondContact OD1-OG 2.7Å; L122-S147 PolarHBondContact N-O 3.25Å; L122-S147 PolarHBondContact N-OG 3.03Å; S147-N248 CarbonylContact C-O 3.58Å; S147-N248 VanDerWaalsContact CA-O 3.29Å; S147-N248 WeakPolarHBondContact CA-O 3.35Å
148	V	98.4	Very high	97.7	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	122.3	-170.5	-174.6	0	0	0	0	109.5	R109 A120 S146 V247 N248 F250	R109-V148 HydrophobicContact CG-CG1 3.54Å; A120-V148 HydrophobicContact CB-CG2 4.1Å; S146-V148 WeakPolarHBondContact OG-CG2 3.21Å; V148-V247 WeakPolarHBondContact O-CA 3.23Å; V148-N248 HydrophobicContact CB-CB 4.26Å; V148-N248 PolarHBondContact N-O 3.17Å; V148-N248 PolarHBondContact O-N 3.37Å; V148-F250 HydrophobicContact CB-CE2 4.48Å; V148-F250 HydrophobicContact CG2-CD2 3.96Å; V148-F250 HydrophobicContact CG2-CE2 3.8Å
149	F	97.4	Very high	97.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	129.3	174.4	-153.4	-166.5	0	0	0	109.9	W45 L50 F83 S110 L122 F126 L129 I151 V245 V247	W45-F149 HydrophobicContact CE3-CE2 4.01Å; W45-F149 HydrophobicContact CE3-CZ 4.26Å; W45-F149 AromaticContact CH2-CE2 3.81Å; W45-F149 HydrophobicContact CH2-CE2 3.81Å; W45-F149 HydrophobicContact CH2-CZ 4.18Å; W45-F149 HydrophobicContact CZ3-CD2 4.37Å; W45-F149 AromaticContact CZ3-CE2 3.39Å; W45-F149 HydrophobicContact CZ3-CE2 3.39Å; W45-F149 AromaticContact CZ3-CZ 3.94Å; W45-F149 HydrophobicContact CZ3-CZ 3.94Å; L50-F149 HydrophobicContact CD2-CZ 3.88Å; F83-F149 HydrophobicContact CE2-CD1 4.16Å; F83-F149 AromaticContact CE2-CE1 3.88Å; F83-F149 HydrophobicContact CE2-CE1 3.88Å; F83-F149 HydrophobicContact CZ-CD1 4.33Å; F83-F149 AromaticContact CZ-CE1 3.59Å; F83-F149 HydrophobicContact CZ-CE1 3.59Å; F83-F149 HydrophobicContact CZ-CZ 4.41Å; S110-F149 PolarHBondContact N-O 2.87Å; S110-F149 PolarHBondContact OG-N 3.29Å; L122-F149 HydrophobicContact CD1-CB 4.01Å; L122-F149 HydrophobicContact CD1-CD1 3.99Å; L122-F149 HydrophobicContact CD1-CD2 4.2Å; L122-F149 HydrophobicContact CD1-CE1 4.45Å; L122-F149 HydrophobicContact CD1-CG 3.85Å; F126-F149 AromaticContact CD2-CD1 3.93Å; F126-F149 HydrophobicContact CD2-CD1 3.93Å; F126-F149 AromaticContact CE2-CD1 3.96Å; F126-F149 HydrophobicContact CE2-CD1 3.96Å; F126-F149 HydrophobicContact CG-CD1 4.41Å; F126-F149 HydrophobicContact CZ-CD1 4.45Å; L129-F149 HydrophobicContact CD1-CE1 3.75Å; L129-F149 HydrophobicContact CD1-CZ 4.09Å; F149-I151 HydrophobicContact CD1-CD1 4.39Å; F149-I151 HydrophobicContact CE1-CD1 3.99Å; F149-I151 HydrophobicContact CE2-CD1 4.43Å; F149-I151 HydrophobicContact CE2-CG1 4.5Å; F149-I151 HydrophobicContact CZ-CD1 4.01Å; F149-V245 HydrophobicContact CD2-CG1 4.25Å; F149-V245 HydrophobicContact CE2-CG1 3.33Å; F149-V245 HydrophobicContact CZ-CG1 3.86Å; F149-V247 HydrophobicContact CD2-CG2 4.05Å; F149-V247 HydrophobicContact CE2-CG2 4.31Å
150	R	98.5	Very high	97.7	Very high	22 Å²	22	32.4 Å²	32.4	8%	0.083	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	117.5	-177.5	-59.5	-66.4	-174.9	96.1	7.1	109.8	Y107 L108 V245 G246 N248	Y107-R150 WeakPolarHBondContact OH-CD 3.27Å; Y107-R150 PolarHBondContact OH-NH1 2.84Å; L108-R150 WeakPolarHBondContact O-CA 3.37Å; R150-V245 CarbonylContact O-C 3.58Å; R150-V245 WeakPolarHBondContact O-CA 3.3Å; R150-G246 PolarHBondContact N-O 3.26Å; R150-G246 PolarHBondContact O-N 2.86Å; R150-N248 VanDerWaalsContact CG-OD1 3.23Å; R150-N248 WeakPolarHBondContact CG-OD1 3.43Å; R150-N248 PolarHBondContact NE-OD1 2.89Å
151	I	98.6	Very high	97.8	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	131.4	175.7	-57.3	-176.3	0	0	0	108.1	F83 F86 V87 A90 Y107 L108 F149 F243 G244 V245	F83-I151 HydrophobicContact CE2-CD1 3.85Å; F83-I151 HydrophobicContact CZ-CD1 3.76Å; F86-I151 HydrophobicContact CE1-CB 3.76Å; F86-I151 HydrophobicContact CE1-CD1 4.05Å; F86-I151 HydrophobicContact CE1-CG1 4.4Å; F86-I151 HydrophobicContact CE1-CG2 3.78Å; F86-I151 HydrophobicContact CZ-CB 3.68Å; F86-I151 HydrophobicContact CZ-CG2 3.63Å; V87-I151 HydrophobicContact CG2-CD1 3.9Å; A90-I151 HydrophobicContact CB-CG2 4.29Å; Y107-I151 CarbonylContact C-O 3.59Å; Y107-I151 WeakPolarHBondContact CA-O 3.36Å; Y107-I151 WeakPolarHBondContact CD2-O 3.49Å; L108-I151 HydrophobicContact CB-CB 4.27Å; L108-I151 HydrophobicContact CD2-CD1 4.41Å; L108-I151 PolarHBondContact N-O 2.89Å; L108-I151 PolarHBondContact O-N 2.93Å; L108-I151 VanDerWaalsContact O-N 3.13Å; F149-I151 HydrophobicContact CD1-CD1 4.39Å; F149-I151 HydrophobicContact CE1-CD1 3.99Å; F149-I151 HydrophobicContact CE2-CD1 4.43Å; F149-I151 HydrophobicContact CE2-CG1 4.5Å; F149-I151 HydrophobicContact CZ-CD1 4.01Å; I151-F243 HydrophobicContact CG2-CE2 3.61Å; I151-F243 HydrophobicContact CG2-CZ 4.08Å; I151-G244 WeakPolarHBondContact CA-O 3.35Å; I151-V245 HydrophobicContact CD1-CG1 4.39Å; I151-V245 HydrophobicContact CD1-CG2 4.32Å; I151-V245 HydrophobicContact CG1-CB 4.48Å; I151-V245 HydrophobicContact CG1-CG1 4.1Å; I151-V245 HydrophobicContact CG1-CG2 4.11Å; I151-V245 HydrophobicContact CG2-CG2 4.39Å
152	S	98	Very high	97.9	Very high	7 Å²	7	25.6 Å²	25.6	5%	0.049	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	141.2	-176.1	54.1	0	0	0	0	111.6	Y106 A240 G244	Y106-S152 WeakPolarHBondContact O-CA 3.26Å; S152-A240 VanDerWaalsContact OG-CB 3.3Å; S152-A240 WeakPolarHBondContact OG-CB 3.48Å; S152-G244 PolarHBondContact N-O 3.2Å; S152-G244 VanDerWaalsContact N-O 3.1Å; S152-G244 PolarHBondContact O-N 3.46Å; S152-G244 VanDerWaalsContact O-N 3.14Å
153	S	98.4	Very high	98	Very high	3 Å²	3	20.3 Å²	20.3	2%	0.021	10%	0.103	C	C	.	.			trans	-60.6	155.8	165.9	-63.9	0	0	0	0	112.2	A90 Y106 L156 A240	A90-S153 WeakPolarHBondContact CA-OG 3.43Å; A90-S153 VanDerWaalsContact O-CA 3.29Å; A90-S153 WeakPolarHBondContact O-CA 3.31Å; A90-S153 PolarHBondContact O-OG 2.77Å; Y106-S153 PolarHBondContact N-OG 3.41Å; Y106-S153 PolarHBondContact O-N 2.89Å; Y106-S153 PolarHBondContact O-OG 2.98Å; S153-L156 WeakPolarHBondContact O-CB 3.36Å; S153-L156 PolarHBondContact O-N 2.88Å; S153-A240 WeakPolarHBondContact O-CB 3.34Å
154	C	97.8	Very high	98.1	Very high	63 Å²	63	16.3 Å²	16.3	43%	0.426	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	139.9	173	-174.2	0	0	0	0	111.1	L156 L241	C154-L156 PolarHBondContact O-N 3.45Å; C154-L241 PolarHBondContact SG-O 3.44Å
155	G	97.4	Very high	98.1	Very high	29 Å²	29	13.6 Å²	13.6	30%	0.299	8%	0.077	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.9	-10.9	178.7	0	0	0	0	0	114.8	P67 Q157 L239 A240	P67-G155 WeakPolarHBondContact CB-O 3.42Å; G155-Q157 PolarHBondContact O-N 3.17Å; G155-L239 VanDerWaalsContact O-CD1 3.26Å; G155-L239 WeakPolarHBondContact O-CD1 3.36Å; G155-A240 WeakPolarHBondContact CA-O 3.08Å; G155-A240 PolarHBondContact N-O 2.78Å
156	L	97.4	Very high	98.1	Very high	4 Å²	4	12.4 Å²	12.4	2%	0.021	7%	0.072	C	C	.	.			trans	-66.5	125.2	-176.2	-168.5	150.1	0	0	0	111	P67 M69 Y106 Y107 S153 C154 L158 A240	P67-L156 WeakPolarHBondContact O-CA 3.34Å; M69-L156 HydrophobicContact SD-CD1 4.09Å; M69-L156 HydrophobicContact SD-CD2 3.94Å; M69-L156 HydrophobicContact SD-CG 4.21Å; Y106-L156 WeakPolarHBondContact O-CD1 3.41Å; Y107-L156 HydrophobicContact CD2-CD2 4.49Å; Y107-L156 HydrophobicContact CG-CD2 4.41Å; S153-L156 WeakPolarHBondContact O-CB 3.36Å; S153-L156 PolarHBondContact O-N 2.88Å; C154-L156 PolarHBondContact O-N 3.45Å; L156-L158 HydrophobicContact CD2-CD2 3.8Å; L156-L158 HydrophobicContact CD2-CG 3.94Å; L156-A240 PolarHBondContact O-N 2.98Å
157	Q	97.7	Very high	98.1	Very high	15 Å²	15	12.4 Å²	12.4	7%	0.07	7%	0.072	C	C	.	.	B	Isolated β-bridge	trans	-112.6	123.8	176.2	-169.2	-178.9	9.9	0	0	110.3	P67 M69 G155 N237 T238 L239	P67-Q157 PolarHBondContact O-N 3.02Å; M69-Q157 PolarHBondContact N-O 2.95Å; M69-Q157 VanDerWaalsContact N-O 3.1Å; G155-Q157 PolarHBondContact O-N 3.17Å; Q157-N237 PolarHBondContact NE2-OD1 2.99Å; Q157-T238 WeakPolarHBondContact CA-O 3.35Å; Q157-L239 HydrophobicContact CB-CD1 3.98Å; Q157-L239 HydrophobicContact CG-CB 4.5Å
158	L	97	Very high	98.1	Very high	10 Å²	10	12.1 Å²	12.1	5%	0.052	7%	0.069	C	C	.	.	P	Polyproline II helix	trans	-89.3	149.5	169.9	-65	176.5	0	0	0	110.4	M69 Y107 L156 N237 T238	M69-L158 HydrophobicContact SD-CD2 3.75Å; Y107-L158 HydrophobicContact CD1-CD2 3.97Å; Y107-L158 HydrophobicContact CE1-CD1 3.95Å; Y107-L158 HydrophobicContact CE1-CD2 3.88Å; Y107-L158 HydrophobicContact CE2-CD1 3.79Å; Y107-L158 HydrophobicContact CG-CD2 4.37Å; Y107-L158 VanDerWaalsContact CZ-CD1 3.44Å; Y107-L158 WeakPolarHBondContact OH-CD1 3.33Å; L156-L158 HydrophobicContact CD2-CD2 3.8Å; L156-L158 HydrophobicContact CD2-CG 3.94Å; L158-N237 PolarHBondContact O-ND2 3.36Å; L158-N237 PolarHBondContact O-OD1 3.08Å; L158-T238 PolarHBondContact N-O 2.83Å
159	W	97.7	Very high	98.1	Very high	31 Å²	31	12.3 Å²	12.3	12%	0.117	7%	0.07	C	C	.	.	P	Polyproline II helix	trans	-63.4	154.5	173.3	53.5	77.3	0	0	0	112.1	M69 F71 F76 H161 L199	M69-W159 HydrophobicContact CB-CE3 4.09Å; M69-W159 HydrophobicContact CB-CZ3 3.88Å; M69-W159 HydrophobicContact CE-CZ3 4.23Å; F71-W159 HydrophobicContact CB-CD2 3.7Å; F71-W159 HydrophobicContact CB-CE3 3.66Å; F71-W159 HydrophobicContact CB-CG 4.38Å; F71-W159 HydrophobicContact CB-CH2 3.93Å; F71-W159 HydrophobicContact CB-CZ2 3.97Å; F71-W159 HydrophobicContact CB-CZ3 3.77Å; F71-W159 HydrophobicContact CD1-CB 3.63Å; F71-W159 AromaticContact CD1-CD1 3.99Å; F71-W159 AromaticContact CD1-CD2 3.67Å; F71-W159 HydrophobicContact CD1-CD2 3.67Å; F71-W159 HydrophobicContact CD1-CE3 4.07Å; F71-W159 AromaticContact CD1-CG 3.45Å; F71-W159 HydrophobicContact CD1-CG 3.45Å; F71-W159 VanDerWaalsContact CD1-CG 3.45Å; F71-W159 HydrophobicContact CE1-CB 3.95Å; F71-W159 HydrophobicContact CE1-CG 4.1Å; F71-W159 HydrophobicContact CG-CD2 4.03Å; F71-W159 HydrophobicContact CG-CE3 4.34Å; F71-W159 HydrophobicContact CG-CG 4.19Å; F76-W159 HydrophobicContact CD1-CZ3 4.16Å; F76-W159 AromaticContact CE1-CH2 3.62Å; F76-W159 HydrophobicContact CE1-CH2 3.62Å; F76-W159 AromaticContact CE1-CZ3 3.4Å; F76-W159 HydrophobicContact CE1-CZ3 3.4Å; F76-W159 VanDerWaalsContact CE1-CZ3 3.4Å; F76-W159 AromaticContact CZ-CH2 3.56Å; F76-W159 HydrophobicContact CZ-CH2 3.56Å; F76-W159 AromaticContact CZ-CZ3 3.88Å; F76-W159 HydrophobicContact CZ-CZ3 3.88Å; W159-H161 PolarHBondContact O-N 2.77Å; W159-H161 PolarHBondContact O-ND1 3.39Å; W159-H161 VanDerWaalsContact O-ND1 3.07Å; W159-L199 HydrophobicContact CB-CD2 4.13Å
160	T	98.6	Very high	98.2	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.07	C	C	.	.	P	Polyproline II helix	trans	-68.7	128.6	176.3	-50.5	0	0	0	0	110	Y181 K195 S196 F235 H236 N237	T160-Y181 HydrophobicContact CG2-CD2 4.12Å; T160-Y181 HydrophobicContact CG2-CE2 4.2Å; T160-K195 WeakPolarHBondContact O-CA 3.22Å; T160-S196 PolarHBondContact O-N 3.4Å; T160-F235 HydrophobicContact CG2-CB 3.91Å; T160-H236 WeakPolarHBondContact CA-O 3.29Å; T160-N237 PolarHBondContact N-ND2 2.87Å; T160-N237 WeakPolarHBondContact OG1-CB 3.29Å; T160-N237 PolarHBondContact OG1-ND2 3.15Å; T160-N237 VanDerWaalsContact OG1-ND2 3.1Å
161	H	98.5	Very high	98.2	Very high	17 Å²	17	11.2 Å²	11.2	8%	0.079	7%	0.066	C	C	.	.	B	Isolated β-bridge	trans	-147.1	171.6	176.6	61.4	-71.4	0	0	0	111	W159 D163 D194 K195 F235 H236	W159-H161 PolarHBondContact O-N 2.77Å; W159-H161 PolarHBondContact O-ND1 3.39Å; W159-H161 VanDerWaalsContact O-ND1 3.07Å; H161-D163 IonicContact CD2-OD1 3.2Å; H161-D194 CarbonylContact C-O 3.32Å; H161-D194 WeakPolarHBondContact CA-O 3.44Å; H161-D194 VanDerWaalsContact CB-O 3.25Å; H161-D194 WeakPolarHBondContact CB-O 3.48Å; H161-K195 HydrophobicContact CB-CG 4.13Å; H161-F235 CarbonylContact O-C 3.58Å; H161-F235 VanDerWaalsContact O-CA 3.26Å; H161-F235 WeakPolarHBondContact O-CA 3.5Å; H161-H236 AromaticContact CE1-NE2 3.62Å; H161-H236 PolarHBondContact N-O 3.27Å; H161-H236 AromaticContact NE2-CE1 3.9Å; H161-H236 AromaticContact NE2-NE2 3.4Å; H161-H236 PolarHBondContact NE2-NE2 3.05Å; H161-H236 PolarHBondContact O-N 3.35Å; H161-H236 PolarHBondContact O-ND1 2.6Å
162	Y	98.6	Very high	98.2	Very high	32 Å²	32	11.3 Å²	11.3	13%	0.125	7%	0.067	C	C	.	.			trans	-126.4	158.7	169	73.9	-86.1	0	0	0	111.1	V164 D194 L233 F235	Y162-V164 HydrophobicContact CE2-CG2 4.23Å; Y162-D194 HydrophobicContact CD1-CB 4.44Å; Y162-D194 HydrophobicContact CE1-CB 4.18Å; Y162-D194 PolarHBondContact N-O 3.42Å; Y162-D194 VanDerWaalsContact N-O 3.11Å; Y162-L233 HydrophobicContact CD2-CD2 3.9Å; Y162-L233 HydrophobicContact CE2-CD2 3.85Å; Y162-F235 AromaticContact CD1-CD1 3.83Å; Y162-F235 HydrophobicContact CD1-CD1 3.83Å; Y162-F235 AromaticContact CD1-CE1 3.3Å; Y162-F235 HydrophobicContact CD1-CE1 3.3Å; Y162-F235 HydrophobicContact CD1-CZ 4.04Å; Y162-F235 AromaticContact CE1-CE1 4Å; Y162-F235 HydrophobicContact CE1-CE1 4Å; Y162-F235 HydrophobicContact CG-CD1 4.29Å; Y162-F235 HydrophobicContact CG-CE1 4.04Å
163	D	98.3	Very high	98.2	Very high	9 Å²	9	12.5 Å²	12.5	5%	0.048	7%	0.074	C	C	.	.			trans	-116.2	156.8	172.3	-54.9	-58.2	0	0	0	109.9	H161 L233 H236 F250 N267	H161-D163 IonicContact CD2-OD1 3.2Å; D163-L233 PolarHBondContact O-N 3.45Å; D163-H236 IonicContact OD2-CE1 3.74Å; D163-H236 PolarHBondContact OD2-CE1 3.27Å; D163-H236 VanDerWaalsContact OD2-CE1 3.28Å; D163-H236 IonicContact OD2-NE2 2.9Å; D163-F250 HydrophobicContact CB-CE1 3.88Å; D163-F250 VanDerWaalsContact OD2-CE1 3.27Å; D163-F250 WeakPolarHBondContact OD2-CE1 3.42Å; D163-F250 WeakPolarHBondContact OD2-CZ 3.15Å; D163-N267 PolarHBondContact OD1-OD1 3.47Å
164	V	98.1	Very high	98.2	Very high	7 Å²	7	13 Å²	13	4%	0.042	8%	0.079	C	C	.	.	S	Bend	trans	-89.8	-12.5	-177.9	-173.5	0	0	0	0	112	Y162 A232 Y259 G266 K268 P270	Y162-V164 HydrophobicContact CE2-CG2 4.23Å; V164-A232 WeakPolarHBondContact O-CB 3.36Å; V164-Y259 HydrophobicContact CG1-CD1 4.24Å; V164-Y259 HydrophobicContact CG1-CE1 3.95Å; V164-G266 WeakPolarHBondContact CB-O 3.27Å; V164-G266 PolarHBondContact N-O 3.05Å; V164-K268 WeakPolarHBondContact CG2-O 3.38Å; V164-P270 HydrophobicContact CG1-CG 3.61Å
165	M	98.1	Very high	98.3	Very high	3 Å²	3	14.2 Å²	14.2	2%	0.015	8%	0.075	C	C	.	.	S	Bend	trans	-97.2	155.6	176.3	-60.3	-63.9	179.2	0	0	110.7	F145 A232 F250 W251 R252 Y259	F145-M165 HydrophobicContact CD1-CE 4.28Å; F145-M165 HydrophobicContact CD1-CG 3.95Å; F145-M165 HydrophobicContact CD2-CE 3.8Å; F145-M165 HydrophobicContact CE1-CE 4.49Å; F145-M165 HydrophobicContact CE1-CG 4.4Å; F145-M165 HydrophobicContact CE2-CE 4.02Å; F145-M165 HydrophobicContact CG-CE 3.93Å; F145-M165 HydrophobicContact CG-CG 4.27Å; F145-M165 HydrophobicContact CG-SD 4.4Å; F145-M165 HydrophobicContact CZ-CE 4.36Å; M165-A232 WeakPolarHBondContact O-CA 3.36Å; M165-F250 HydrophobicContact CB-CB 4.06Å; M165-F250 HydrophobicContact CB-CD1 3.95Å; M165-F250 HydrophobicContact CB-CG 4.44Å; M165-W251 WeakPolarHBondContact CB-O 3.45Å; M165-R252 HydrophobicContact CE-CG 3.95Å; M165-R252 HydrophobicContact SD-CB 4.35Å; M165-R252 HydrophobicContact SD-CG 3.66Å; M165-Y259 HydrophobicContact CE-CD1 3.28Å; M165-Y259 HydrophobicContact CE-CD2 4.33Å; M165-Y259 HydrophobicContact CE-CE1 3.53Å; M165-Y259 HydrophobicContact CE-CG 3.71Å; M165-Y259 HydrophobicContact SD-CD1 3.82Å; M165-Y259 HydrophobicContact SD-CE1 3.35Å; M165-Y259 WeakPolarHBondContact SD-CE1 3.47Å; M165-Y259 HydrophobicContact SD-CE2 4.37Å; M165-Y259 HydrophobicContact SD-CG 4.49Å
166	D	98.8	Very high	98.3	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	148.2	164.3	-76.3	-20.4	0	0	0	109.3	Y25 R28 F229 P231 A232 F250 W251 H253	Y25-D166 WeakPolarHBondContact CE2-OD2 3.33Å; Y25-D166 VanDerWaalsContact CZ-OD2 3.24Å; Y25-D166 PolarHBondContact OH-OD2 3.25Å; R28-D166 IonicContact CZ-OD1 3.76Å; R28-D166 IonicContact CZ-OD2 2.59Å; R28-D166 IonicContact NH1-OD1 3.21Å; R28-D166 PolarHBondContact NH1-OD1 3.2Å; R28-D166 IonicContact NH1-OD2 3.98Å; R28-D166 PolarHBondContact NH1-OD2 3.24Å; R28-D166 IonicContact NH2-OD1 3.76Å; R28-D166 PolarHBondContact NH2-OD1 3.38Å; R28-D166 IonicContact NH2-OD2 3.41Å; D166-F229 HydrophobicContact CB-CE2 4.26Å; D166-P231 WeakPolarHBondContact OD1-CA 3.48Å; D166-A232 PolarHBondContact OD1-N 2.85Å; D166-F250 VanDerWaalsContact O-CA 3.24Å; D166-F250 WeakPolarHBondContact O-CA 3.21Å; D166-W251 HydrophobicContact CB-CD2 3.64Å; D166-W251 HydrophobicContact CB-CE3 3.9Å; D166-W251 HydrophobicContact CB-CG 4.33Å; D166-W251 HydrophobicContact CB-CH2 3.67Å; D166-W251 HydrophobicContact CB-CZ2 3.41Å; D166-W251 VanDerWaalsContact CB-CZ2 3.41Å; D166-W251 HydrophobicContact CB-CZ3 3.87Å; D166-W251 PolarHBondContact N-O 3.43Å; D166-W251 VanDerWaalsContact O-CE3 3.29Å; D166-W251 PolarHBondContact O-N 2.98Å; D166-H253 WeakPolarHBondContact OD2-CB 3.47Å; D166-H253 IonicContact OD2-CG 2.7Å; D166-H253 IonicContact OD2-ND1 3.54Å
167	N	98.6	Very high	98.4	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.005	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	135	-171.9	-178.6	9.1	0	0	0	111.8	I230 N248 V249 F250 W251	N167-I230 HydrophobicContact CB-CB 4.21Å; N167-I230 PolarHBondContact N-O 2.88Å; N167-I230 PolarHBondContact O-N 3.32Å; N167-N248 VanDerWaalsContact CG-ND2 3.33Å; N167-N248 PolarHBondContact ND2-ND2 2.64Å; N167-N248 WeakPolarHBondContact OD1-CB 3.39Å; N167-N248 PolarHBondContact OD1-ND2 3.25Å; N167-V249 CarbonylContact C-O 3.5Å; N167-V249 WeakPolarHBondContact CA-O 3.41Å; N167-F250 HydrophobicContact CB-CD1 3.62Å; N167-F250 HydrophobicContact CB-CE1 3.48Å; N167-F250 VanDerWaalsContact CB-CE1 3.48Å; N167-F250 HydrophobicContact CB-CZ 4.36Å; N167-F250 VanDerWaalsContact ND2-CE1 3.33Å; N167-F250 WeakPolarHBondContact ND2-CE1 3.36Å; N167-F250 WeakPolarHBondContact ND2-CZ 3.31Å; N167-W251 VanDerWaalsContact C-CZ3 3.48Å
168	L	98.7	Very high	98.4	Very high	1 Å²	1	13.6 Å²	13.6	1%	0.005	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	112.5	164.3	-67.3	177.5	0	0	0	107.4	F138 F139 L227 L228 F229 N248 V249 W251	F138-L168 HydrophobicContact CD2-CD1 3.87Å; F139-L168 HydrophobicContact CE1-CD1 4.45Å; L168-L227 HydrophobicContact CB-CD1 4.13Å; L168-L227 HydrophobicContact CB-CD2 4.12Å; L168-L227 HydrophobicContact CB-CG 4.2Å; L168-L227 HydrophobicContact CD1-CD1 4.42Å; L168-L227 HydrophobicContact CD1-CD2 3.98Å; L168-L227 HydrophobicContact CD2-CD2 3.46Å; L168-L227 VanDerWaalsContact CD2-CD2 3.46Å; L168-L227 HydrophobicContact CD2-CG 4.35Å; L168-L227 HydrophobicContact CG-CD2 3.98Å; L168-L228 WeakPolarHBondContact CA-O 3.25Å; L168-F229 HydrophobicContact CD2-CB 3.96Å; L168-F229 HydrophobicContact CD2-CD2 4.03Å; L168-F229 HydrophobicContact CD2-CG 4.43Å; L168-N248 CarbonylContact O-C 3.19Å; L168-N248 VanDerWaalsContact O-CA 3.27Å; L168-N248 WeakPolarHBondContact O-CA 3.48Å; L168-V249 HydrophobicContact CB-CB 4.4Å; L168-V249 PolarHBondContact N-O 3Å; L168-V249 PolarHBondContact O-N 2.6Å; L168-W251 HydrophobicContact CB-CZ3 4.29Å; L168-W251 HydrophobicContact CD1-CH2 4.44Å; L168-W251 HydrophobicContact CD1-CZ3 4.3Å; L168-W251 HydrophobicContact CD2-CH2 3.85Å; L168-W251 HydrophobicContact CD2-CZ3 4.18Å; L168-W251 HydrophobicContact CG-CH2 3.72Å; L168-W251 HydrophobicContact CG-CZ3 3.57Å
169	L	98.8	Very high	98.5	Very high	4 Å²	4	13.1 Å²	13.1	2%	0.021	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	100.1	170.4	172.8	57.9	0	0	0	109.1	K176 V178 L222 L228 I230 N248	L169-K176 HydrophobicContact CD2-CD 4.21Å; L169-V178 HydrophobicContact CD2-CG2 4.11Å; L169-L222 HydrophobicContact CD2-CD1 3.83Å; L169-L222 HydrophobicContact CG-CD1 4.03Å; L169-L228 HydrophobicContact CB-CB 4.25Å; L169-L228 PolarHBondContact N-O 3.25Å; L169-L228 PolarHBondContact O-N 3.38Å; L169-I230 HydrophobicContact CB-CD1 4.4Å; L169-N248 WeakPolarHBondContact CB-ND2 3.4Å; L169-N248 WeakPolarHBondContact CD1-ND2 3.49Å
170	A	98.7	Very high	98.6	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	122.1	170.4	0	0	0	0	0	109.8	L38 F133 L227 G246 V247	L38-A170 HydrophobicContact CD1-CB 4.08Å; L38-A170 HydrophobicContact CD2-CB 4.38Å; F133-A170 HydrophobicContact CE2-CB 3.75Å; F133-A170 HydrophobicContact CZ-CB 4.01Å; A170-L227 HydrophobicContact CB-CD1 3.96Å; A170-G246 CarbonylContact O-C 3.55Å; A170-G246 WeakPolarHBondContact O-CA 3.42Å; A170-V247 HydrophobicContact CB-CB 4.43Å; A170-V247 WeakPolarHBondContact CB-O 3.47Å; A170-V247 PolarHBondContact N-O 2.95Å; A170-V247 PolarHBondContact O-N 3.33Å
171	Q	98.8	Very high	98.6	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	106.2	172.8	-173.2	62.1	33.8	0	0	108.5	T173 G174 K176 L222 G225 D226	Q171-T173 PolarHBondContact NE2-O 2.86Å; Q171-G174 WeakPolarHBondContact CG-O 3.26Å; Q171-G174 PolarHBondContact NE2-O 2.63Å; Q171-K176 VanDerWaalsContact OE1-CE 3.31Å; Q171-L222 HydrophobicContact CB-CB 3.75Å; Q171-L222 HydrophobicContact CB-CD1 4.24Å; Q171-L222 HydrophobicContact CG-CB 3.93Å; Q171-G225 PolarHBondContact O-N 2.78Å; Q171-D226 PolarHBondContact N-O 2.65Å
172	V	98.6	Very high	98.5	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.006	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	-49.2	-172.4	-176.2	0	0	0	0	111.2	C41 V42 W45 P224 V245 V247	C41-V172 HydrophobicContact CB-CG1 3.92Å; C41-V172 WeakPolarHBondContact O-CG1 3.42Å; V42-V172 HydrophobicContact CG2-CG1 4.44Å; W45-V172 HydrophobicContact CB-CG1 4.29Å; W45-V172 HydrophobicContact CD2-CG1 4.06Å; W45-V172 HydrophobicContact CE3-CB 3.92Å; W45-V172 HydrophobicContact CE3-CG1 3.51Å; W45-V172 HydrophobicContact CE3-CG2 4.13Å; W45-V172 HydrophobicContact CG-CG1 4.41Å; W45-V172 HydrophobicContact CZ3-CB 4.15Å; W45-V172 HydrophobicContact CZ3-CG1 4.08Å; W45-V172 HydrophobicContact CZ3-CG2 3.86Å; V172-P224 WeakPolarHBondContact O-CB 3.4Å; V172-V245 PolarHBondContact N-O 3.22Å; V172-V247 HydrophobicContact CG2-CG2 4.47Å
173	T	98.3	Very high	98.5	Very high	33 Å²	33	15 Å²	15	20%	0.202	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	140.7	-179.6	-52.9	0	0	0	0	109.6	W45 Q171 G244 V245	W45-T173 PolarHBondContact O-OG1 2.86Å; Q171-T173 PolarHBondContact NE2-O 2.86Å; T173-G244 CarbonylContact O-C 3.49Å; T173-G244 WeakPolarHBondContact O-CA 3.48Å; T173-V245 PolarHBondContact N-O 2.81Å; T173-V245 PolarHBondContact O-N 2.91Å
174	G	98.3	Very high	98.4	Very high	13 Å²	13	21.4 Å²	21.4	13%	0.134	10%	0.101	C	C	.	.	S	Bend	trans	73.4	176.7	177.9	0	0	0	0	0	114.1	Q171 F243	Q171-G174 WeakPolarHBondContact CG-O 3.26Å; Q171-G174 PolarHBondContact NE2-O 2.63Å; G174-F243 WeakPolarHBondContact CA-O 3.38Å
175	R	98.7	Very high	98.4	Very high	89 Å²	89	21.4 Å²	21.4	34%	0.336	10%	0.101	S	C	.	.			trans	-108.4	140.5	-175.5	-61.4	177.2	73	-149	5.2	110.8	V221 L222 E223 L241 H242	R175-V221 HydrophobicContact CB-CG1 4.4Å; R175-L222 WeakPolarHBondContact CA-O 3.38Å; R175-E223 VanDerWaalsContact CD-OE2 3.23Å; R175-E223 WeakPolarHBondContact CD-OE2 3.48Å; R175-E223 VanDerWaalsContact CG-OE2 3.22Å; R175-E223 WeakPolarHBondContact CG-OE2 3.24Å; R175-E223 IonicContact CZ-OE1 3.23Å; R175-E223 VanDerWaalsContact CZ-OE1 3.23Å; R175-E223 IonicContact CZ-OE2 3.96Å; R175-E223 VanDerWaalsContact NE-CD 3.27Å; R175-E223 IonicContact NE-OE1 2.83Å; R175-E223 PolarHBondContact NE-OE1 3.23Å; R175-E223 IonicContact NE-OE2 2.93Å; R175-E223 PolarHBondContact NE-OE2 3.07Å; R175-E223 IonicContact NH2-OE1 2.78Å; R175-E223 PolarHBondContact NH2-OE1 3.34Å; R175-L241 HydrophobicContact CB-CB 4.09Å; R175-L241 HydrophobicContact CB-CD1 4.3Å; R175-L241 WeakPolarHBondContact O-CB 3.38Å; R175-L241 PolarHBondContact O-N 3.41Å; R175-H242 PolarHBondContact O-N 2.82Å
176	K	98.8	Very high	98.3	Very high	10 Å²	10	22.8 Å²	22.8	4%	0.043	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	124.9	-179.2	-175.6	176.6	-72.7	146.1	0	110.6	L169 Q171 V178 V221 L222 T238 L239	L169-K176 HydrophobicContact CD2-CD 4.21Å; Q171-K176 VanDerWaalsContact OE1-CE 3.31Å; K176-V178 HydrophobicContact CD-CG2 4.44Å; K176-V178 HydrophobicContact CG-CG2 4.23Å; K176-V221 WeakPolarHBondContact O-CA 3.27Å; K176-L222 PolarHBondContact N-O 3.31Å; K176-L222 VanDerWaalsContact N-O 3.12Å; K176-L222 PolarHBondContact O-N 3.13Å; K176-T238 HydrophobicContact CD-CG2 4.24Å; K176-L239 WeakPolarHBondContact CA-O 3.36Å
177	R	98.6	Very high	98.2	Very high	25 Å²	25	28.9 Å²	28.9	9%	0.094	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	134.7	168.3	-174.4	-168.7	65.5	156.8	0.1	109.1	D202 D219 C220 V221 T238 L239 L241	R177-D202 IonicContact CZ-OD1 3Å; R177-D202 IonicContact CZ-OD2 3.79Å; R177-D202 VanDerWaalsContact CZ-OD2 3.23Å; R177-D202 IonicContact NH1-OD1 3.65Å; R177-D202 PolarHBondContact NH1-OD1 3.29Å; R177-D202 IonicContact NH1-OD2 2.64Å; R177-D202 PolarHBondContact NH1-OD2 3.14Å; R177-D202 IonicContact NH2-OD1 3.91Å; R177-D202 IonicContact NH2-OD2 3.68Å; R177-D202 PolarHBondContact NH2-OD2 3.33Å; R177-D219 WeakPolarHBondContact CG-OD1 3.47Å; R177-C220 CarbonylContact C-O 3.59Å; R177-C220 WeakPolarHBondContact CA-O 3.34Å; R177-V221 HydrophobicContact CB-CG2 4.3Å; R177-V221 HydrophobicContact CG-CG2 4.35Å; R177-T238 WeakPolarHBondContact O-CA 3.33Å; R177-L239 HydrophobicContact CB-CB 4.34Å; R177-L239 PolarHBondContact N-O 3.3Å; R177-L239 PolarHBondContact O-N 2.81Å; R177-L241 HydrophobicContact CB-CD1 4.26Å; R177-L241 HydrophobicContact CB-CD2 4.24Å; R177-L241 HydrophobicContact CB-CG 4.26Å
178	V	98.8	Very high	98.1	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	122.4	173.5	-168.3	0	0	0	0	108.7	L169 K176 L180 C220 L222 L228 H236 N237 T238	L169-V178 HydrophobicContact CD2-CG2 4.11Å; K176-V178 HydrophobicContact CD-CG2 4.44Å; K176-V178 HydrophobicContact CG-CG2 4.23Å; V178-L180 HydrophobicContact CB-CD1 4.33Å; V178-L180 HydrophobicContact CG1-CD1 3.84Å; V178-L180 HydrophobicContact CG1-CD2 4.46Å; V178-L180 HydrophobicContact CG1-CG 3.97Å; V178-C220 PolarHBondContact N-O 2.86Å; V178-C220 PolarHBondContact O-N 3.36Å; V178-L222 HydrophobicContact CG2-CD1 3.93Å; V178-L222 HydrophobicContact CG2-CG 4.25Å; V178-L228 HydrophobicContact CB-CD2 3.93Å; V178-L228 HydrophobicContact CG1-CD2 3.82Å; V178-L228 HydrophobicContact CG2-CD2 3.94Å; V178-H236 HydrophobicContact CG1-CB 4.15Å; V178-N237 VanDerWaalsContact CA-O 3.32Å; V178-N237 WeakPolarHBondContact CA-O 3.46Å; V178-T238 HydrophobicContact CG1-CG2 4.31Å; V178-T238 HydrophobicContact CG2-CG2 4.25Å
179	A	98.6	Very high	98.1	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	131.5	168.6	0	0	0	0	0	108.8	I201 R217 Y218 H236 N237	A179-I201 HydrophobicContact CB-CD1 3.49Å; A179-I201 VanDerWaalsContact CB-CD1 3.49Å; A179-R217 HydrophobicContact CB-CG 4.28Å; A179-Y218 CarbonylContact C-O 3.46Å; A179-Y218 VanDerWaalsContact CA-O 3.27Å; A179-Y218 WeakPolarHBondContact CA-O 3.49Å; A179-H236 CarbonylContact O-C 3.56Å; A179-H236 VanDerWaalsContact O-CA 3.25Å; A179-H236 WeakPolarHBondContact O-CA 3.29Å; A179-N237 HydrophobicContact CB-CB 4.35Å; A179-N237 PolarHBondContact N-O 2.85Å; A179-N237 PolarHBondContact O-N 2.92Å
180	L	98.8	Very high	98	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	151.8	-178.3	-54.4	101.6	0	0	0	112.1	V9 P30 V178 Y218 L228 I230 W234 F235 H236	V9-L180 HydrophobicContact CG2-CD1 3.83Å; P30-L180 HydrophobicContact CB-CD1 4.48Å; P30-L180 HydrophobicContact CB-CD2 4.01Å; P30-L180 HydrophobicContact CG-CB 4.41Å; P30-L180 HydrophobicContact CG-CD2 3.76Å; V178-L180 HydrophobicContact CB-CD1 4.33Å; V178-L180 HydrophobicContact CG1-CD1 3.84Å; V178-L180 HydrophobicContact CG1-CD2 4.46Å; V178-L180 HydrophobicContact CG1-CG 3.97Å; L180-Y218 PolarHBondContact N-O 3.28Å; L180-Y218 PolarHBondContact O-N 3.31Å; L180-L228 HydrophobicContact CD1-CD2 4.36Å; L180-I230 HydrophobicContact CD2-CD1 4.38Å; L180-I230 HydrophobicContact CD2-CG1 4.1Å; L180-I230 HydrophobicContact CD2-CG2 4.01Å; L180-W234 HydrophobicContact CB-CE3 4.11Å; L180-W234 HydrophobicContact CB-CZ3 4.49Å; L180-F235 CarbonylContact C-O 3.5Å; L180-F235 WeakPolarHBondContact CA-O 3.27Å; L180-F235 WeakPolarHBondContact CB-O 3.46Å; L180-H236 HydrophobicContact CD2-CB 4Å; L180-H236 HydrophobicContact CG-CB 4.09Å
181	Y	98.6	Very high	98	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	147.5	174.7	-50.9	-92.3	0	0	0	109.9	T160 L189 F212 A215 Q216 R217 W234 F235	T160-Y181 HydrophobicContact CG2-CD2 4.12Å; T160-Y181 HydrophobicContact CG2-CE2 4.2Å; Y181-L189 HydrophobicContact CD1-CD2 4.12Å; Y181-L189 HydrophobicContact CD2-CD2 4.05Å; Y181-L189 HydrophobicContact CE1-CD2 4.47Å; Y181-L189 HydrophobicContact CE2-CD2 4.43Å; Y181-L189 HydrophobicContact CG-CD1 4.32Å; Y181-L189 HydrophobicContact CG-CD2 3.9Å; Y181-F212 HydrophobicContact CE1-CE2 4.49Å; Y181-F212 HydrophobicContact CE1-CZ 4.25Å; Y181-F212 AromaticContact CZ-CZ 3.92Å; Y181-F212 WeakPolarHBondContact OH-CZ 3.27Å; Y181-A215 HydrophobicContact CD1-CB 3.82Å; Y181-A215 HydrophobicContact CE1-CB 4.22Å; Y181-Q216 WeakPolarHBondContact CD1-O 3.34Å; Y181-R217 HydrophobicContact CD1-CB 4.37Å; Y181-R217 HydrophobicContact CE1-CB 3.71Å; Y181-R217 HydrophobicContact CE1-CG 4.04Å; Y181-W234 VanDerWaalsContact O-CE3 3.28Å; Y181-F235 HydrophobicContact CD2-CB 4.24Å; Y181-F235 PolarHBondContact N-O 3.41Å; Y181-F235 PolarHBondContact O-N 2.63Å; Y181-F235 VanDerWaalsContact O-N 3.09Å
182	R	97.9	Very high	97.8	Very high	82 Å²	82	40.6 Å²	40.6	31%	0.309	20%	0.201	S	C	.	.			trans	-66.4	150.6	-178.1	-71.2	174.1	-64.1	-167.9	3.9	110.8	Q184 D185 Y218 W234	R182-Q184 PolarHBondContact O-N 3.09Å; R182-Q184 VanDerWaalsContact O-N 3.13Å; R182-D185 IonicContact CZ-OD2 3.4Å; R182-D185 IonicContact NE-OD2 2.9Å; R182-D185 PolarHBondContact NE-OD2 2.86Å; R182-D185 IonicContact NH2-OD2 2.68Å; R182-D185 WeakPolarHBondContact O-CB 3.41Å; R182-D185 PolarHBondContact O-N 2.92Å; R182-Y218 HydrophobicContact CG-CE2 3.87Å; R182-W234 HydrophobicContact CB-CH2 4.35Å; R182-W234 HydrophobicContact CB-CZ3 4.47Å; R182-W234 HydrophobicContact CG-CH2 3.36Å; R182-W234 HydrophobicContact CG-CZ2 3.86Å; R182-W234 HydrophobicContact CG-CZ3 3.74Å
183	P	98.1	Very high	97.6	Very high	36 Å²	36	43.2 Å²	43.2	23%	0.234	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-53.5	-33.2	170.6	-25	32.9	0	0	0	112.9	D185 A186 L233 W234	P183-D185 PolarHBondContact O-N 3.22Å; P183-A186 WeakPolarHBondContact O-CB 3.29Å; P183-A186 PolarHBondContact O-N 2.89Å; P183-L233 HydrophobicContact CB-CB 4.07Å; P183-L233 HydrophobicContact CG-CB 3.95Å; P183-W234 HydrophobicContact CG-CG 4.37Å
184	Q	96.3	Very high	97.5	Very high	144 Å²	144	43.3 Å²	43.3	67%	0.673	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-67.7	-19.6	177.9	-64.9	79.5	7.5	0	0	113.6	R182 A186	R182-Q184 PolarHBondContact O-N 3.09Å; R182-Q184 VanDerWaalsContact O-N 3.13Å; Q184-A186 PolarHBondContact O-N 3.37Å
185	D	97.1	Very high	97.5	Very high	7 Å²	7	45.4 Å²	45.4	4%	0.037	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-81.8	4.4	176.9	-71.7	-47.9	0	0	0	112.6	R182 P183 L187 H188 L189 A215 Q216	R182-D185 IonicContact CZ-OD2 3.4Å; R182-D185 IonicContact NE-OD2 2.9Å; R182-D185 PolarHBondContact NE-OD2 2.86Å; R182-D185 IonicContact NH2-OD2 2.68Å; R182-D185 WeakPolarHBondContact O-CB 3.41Å; R182-D185 PolarHBondContact O-N 2.92Å; P183-D185 PolarHBondContact O-N 3.22Å; D185-L187 PolarHBondContact O-N 3.4Å; D185-L187 VanDerWaalsContact O-N 3.07Å; D185-H188 WeakPolarHBondContact O-CA 3.49Å; D185-H188 WeakPolarHBondContact O-CB 3.46Å; D185-H188 PolarHBondContact O-N 2.85Å; D185-H188 IonicContact OD1-CE1 3.7Å; D185-H188 IonicContact OD1-ND1 3.53Å; D185-H188 PolarHBondContact OD1-ND1 2.93Å; D185-L189 WeakPolarHBondContact O-CG 3.44Å; D185-L189 PolarHBondContact O-N 2.98Å; D185-A215 HydrophobicContact CB-CB 4.02Å; D185-Q216 PolarHBondContact OD2-N 2.78Å
186	A	97.4	Very high	97.5	Very high	32 Å²	32	41.1 Å²	41.1	26%	0.264	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-49.3	-38.6	-178.6	0	0	0	0	0	114.3	P183 Q184 H188 L189 L191 F235	P183-A186 WeakPolarHBondContact O-CB 3.29Å; P183-A186 PolarHBondContact O-N 2.89Å; Q184-A186 PolarHBondContact O-N 3.37Å; A186-H188 VanDerWaalsContact C-N 3.28Å; A186-H188 PolarHBondContact O-N 3.19Å; A186-L189 PolarHBondContact O-N 3.2Å; A186-L191 HydrophobicContact CB-CD1 3.91Å; A186-F235 HydrophobicContact CB-CE2 4.08Å; A186-F235 HydrophobicContact CB-CZ 3.87Å
187	L	95.7	Very high	97.4	Very high	128 Å²	128	43.6 Å²	43.6	67%	0.67	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-71.2	-21.9	179.1	-63.4	-178.6	0	0	0	113.5	D185	D185-L187 PolarHBondContact O-N 3.4Å; D185-L187 VanDerWaalsContact O-N 3.07Å
188	H	97.6	Very high	97.3	Very high	44 Å²	44	42.5 Å²	42.5	20%	0.204	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-89	-11.9	178.3	-54.2	142.3	0	0	0	112.3	D185 A186 Y190 E211 F212 A215	D185-H188 WeakPolarHBondContact O-CA 3.49Å; D185-H188 WeakPolarHBondContact O-CB 3.46Å; D185-H188 PolarHBondContact O-N 2.85Å; D185-H188 IonicContact OD1-CE1 3.7Å; D185-H188 IonicContact OD1-ND1 3.53Å; D185-H188 PolarHBondContact OD1-ND1 2.93Å; A186-H188 VanDerWaalsContact C-N 3.28Å; A186-H188 PolarHBondContact O-N 3.19Å; H188-Y190 VanDerWaalsContact O-CD2 3.32Å; H188-Y190 WeakPolarHBondContact O-CD2 3.13Å; H188-Y190 WeakPolarHBondContact O-CE2 3.38Å; H188-E211 WeakPolarHBondContact CB-O 3.32Å; H188-F212 VanDerWaalsContact O-CA 3.28Å; H188-F212 WeakPolarHBondContact O-CA 3.38Å; H188-A215 HydrophobicContact CB-CB 3.82Å
189	L	97.8	Very high	97.1	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.232	C	C	.	.	S	Bend	trans	-97.6	0.3	-172.4	-66.6	174.6	0	0	0	114.4	Y181 D185 A186 L191 S196 F212 A215 F235	Y181-L189 HydrophobicContact CD1-CD2 4.12Å; Y181-L189 HydrophobicContact CD2-CD2 4.05Å; Y181-L189 HydrophobicContact CE1-CD2 4.47Å; Y181-L189 HydrophobicContact CE2-CD2 4.43Å; Y181-L189 HydrophobicContact CG-CD1 4.32Å; Y181-L189 HydrophobicContact CG-CD2 3.9Å; D185-L189 WeakPolarHBondContact O-CG 3.44Å; D185-L189 PolarHBondContact O-N 2.98Å; A186-L189 PolarHBondContact O-N 3.2Å; L189-L191 HydrophobicContact CB-CD2 3.77Å; L189-L191 HydrophobicContact CB-CG 4.36Å; L189-S196 WeakPolarHBondContact O-CA 3.07Å; L189-S196 VanDerWaalsContact O-CB 3.24Å; L189-S196 WeakPolarHBondContact O-CB 3.24Å; L189-S196 PolarHBondContact O-OG 3.28Å; L189-F212 HydrophobicContact CD2-CD2 3.95Å; L189-F212 HydrophobicContact CD2-CE2 3.57Å; L189-A215 HydrophobicContact CD2-CB 4.13Å; L189-F235 HydrophobicContact CD1-CB 3.86Å; L189-F235 HydrophobicContact CD1-CD1 3.71Å; L189-F235 HydrophobicContact CD1-CD2 3.22Å; L189-F235 HydrophobicContact CD1-CE1 4.03Å; L189-F235 HydrophobicContact CD1-CE2 3.58Å; L189-F235 HydrophobicContact CD1-CG 3.3Å; L189-F235 HydrophobicContact CD1-CZ 3.99Å
190	Y	97.7	Very high	96.9	Very high	60 Å²	60	46.6 Å²	46.6	24%	0.235	25%	0.247	C	C	.	.			trans	50.6	64.8	176.4	-61.4	-94.1	0	0	0	112.1	H188 E197 V198 F209 P210 E211 F212	H188-Y190 VanDerWaalsContact O-CD2 3.32Å; H188-Y190 WeakPolarHBondContact O-CD2 3.13Å; H188-Y190 WeakPolarHBondContact O-CE2 3.38Å; Y190-E197 WeakPolarHBondContact O-CG 3.23Å; Y190-E197 PolarHBondContact O-N 3.07Å; Y190-V198 HydrophobicContact CD2-CG2 4.1Å; Y190-F209 AromaticContact CD1-CD1 3.73Å; Y190-F209 HydrophobicContact CD1-CD1 3.73Å; Y190-F209 HydrophobicContact CD1-CE1 4.35Å; Y190-F209 HydrophobicContact CD2-CB 3.92Å; Y190-F209 AromaticContact CD2-CD1 3.77Å; Y190-F209 HydrophobicContact CD2-CD1 3.77Å; Y190-F209 HydrophobicContact CD2-CG 4.22Å; Y190-F209 HydrophobicContact CE1-CD1 4.06Å; Y190-F209 HydrophobicContact CE2-CB 3.62Å; Y190-F209 HydrophobicContact CE2-CD1 4.11Å; Y190-F209 HydrophobicContact CE2-CG 4.34Å; Y190-F209 AromaticContact CG-CD1 3.57Å; Y190-F209 HydrophobicContact CG-CD1 3.57Å; Y190-F209 HydrophobicContact CG-CE1 4.21Å; Y190-F209 HydrophobicContact CG-CG 4.45Å; Y190-F209 VanDerWaalsContact OH-C 3.31Å; Y190-F209 WeakPolarHBondContact OH-CA 3.42Å; Y190-P210 VanDerWaalsContact OH-CD 3.22Å; Y190-P210 WeakPolarHBondContact OH-CD 3.32Å; Y190-E211 HydrophobicContact CE2-CB 4.06Å; Y190-E211 VanDerWaalsContact OH-CB 3.29Å; Y190-E211 WeakPolarHBondContact OH-CB 3.26Å; Y190-E211 WeakPolarHBondContact OH-CG 3.41Å; Y190-E211 PolarHBondContact OH-N 2.76Å; Y190-F212 HydrophobicContact CE2-CB 4.28Å
191	L	97.4	Very high	96.8	Very high	60 Å²	60	46.7 Å²	46.7	31%	0.314	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	136.2	-171.4	-56.7	178.1	0	0	0	112.5	A186 L189 K195 F235	A186-L191 HydrophobicContact CB-CD1 3.91Å; L189-L191 HydrophobicContact CB-CD2 3.77Å; L189-L191 HydrophobicContact CB-CG 4.36Å; L191-K195 CarbonylContact C-O 3.46Å; L191-K195 VanDerWaalsContact CA-O 3.29Å; L191-K195 WeakPolarHBondContact CA-O 3.26Å; L191-F235 HydrophobicContact CD1-CE1 3.7Å; L191-F235 HydrophobicContact CD1-CZ 3.65Å; L191-F235 HydrophobicContact CD2-CD1 4.09Å; L191-F235 HydrophobicContact CD2-CE1 3.43Å; L191-F235 VanDerWaalsContact CD2-CE1 3.43Å; L191-F235 HydrophobicContact CD2-CZ 4.1Å; L191-F235 HydrophobicContact CG-CE1 4.2Å; L191-F235 HydrophobicContact CG-CZ 4.48Å
192	N	94.9	Very high	96.5	Very high	88 Å²	88	49.5 Å²	49.5	47%	0.471	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	94.1	165	-175.4	-15.8	0	0	0	108.2	D194 K195 E197	N192-D194 PolarHBondContact O-N 3.34Å; N192-K195 PolarHBondContact N-O 3.17Å; N192-K195 PolarHBondContact O-N 2.84Å; N192-E197 HydrophobicContact CB-CG 4.14Å
193	G	94.9	Very high	96.4	Very high	57 Å²	57	48.1 Å²	48.1	59%	0.588	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.9	-125.3	-167.9	0	0	0	0	0	111.2	K195	G193-K195 VanDerWaalsContact C-N 3.31Å; G193-K195 PolarHBondContact O-N 3.46Å
194	D	95.7	Very high	96.2	Very high	35 Å²	35	47.9 Å²	47.9	19%	0.187	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	2	-179.1	63	-31.2	0	0	0	114.2	H161 Y162 N192 N267	H161-D194 CarbonylContact C-O 3.32Å; H161-D194 WeakPolarHBondContact CA-O 3.44Å; H161-D194 VanDerWaalsContact CB-O 3.25Å; H161-D194 WeakPolarHBondContact CB-O 3.48Å; Y162-D194 HydrophobicContact CD1-CB 4.44Å; Y162-D194 HydrophobicContact CE1-CB 4.18Å; Y162-D194 PolarHBondContact N-O 3.42Å; Y162-D194 VanDerWaalsContact N-O 3.11Å; N192-D194 PolarHBondContact O-N 3.34Å; D194-N267 PolarHBondContact OD2-ND2 3.04Å
195	K	97.7	Very high	96.1	Very high	56 Å²	56	44.5 Å²	44.5	24%	0.243	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	148.6	-170.6	-59.7	167	-165.4	170.9	0	112.1	F71 T160 H161 L191 N192 G193	F71-K195 HydrophobicContact CB-CD 4.28Å; F71-K195 HydrophobicContact CD1-CB 4.45Å; F71-K195 HydrophobicContact CD1-CD 4.19Å; F71-K195 HydrophobicContact CD2-CB 4.28Å; F71-K195 HydrophobicContact CD2-CD 3.48Å; F71-K195 VanDerWaalsContact CD2-CD 3.48Å; F71-K195 HydrophobicContact CE1-CB 3.93Å; F71-K195 HydrophobicContact CE1-CD 4.44Å; F71-K195 HydrophobicContact CE2-CB 3.71Å; F71-K195 HydrophobicContact CE2-CD 3.75Å; F71-K195 HydrophobicContact CE2-CG 4.39Å; F71-K195 HydrophobicContact CG-CD 3.7Å; F71-K195 HydrophobicContact CZ-CB 3.51Å; F71-K195 HydrophobicContact CZ-CD 4.24Å; F71-K195 HydrophobicContact CZ-CG 4.49Å; T160-K195 WeakPolarHBondContact O-CA 3.22Å; H161-K195 HydrophobicContact CB-CG 4.13Å; L191-K195 CarbonylContact C-O 3.46Å; L191-K195 VanDerWaalsContact CA-O 3.29Å; L191-K195 WeakPolarHBondContact CA-O 3.26Å; N192-K195 PolarHBondContact N-O 3.17Å; N192-K195 PolarHBondContact O-N 2.84Å; G193-K195 VanDerWaalsContact C-N 3.31Å; G193-K195 PolarHBondContact O-N 3.46Å
196	S	98.2	Very high	96	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	138.6	171.2	176.6	0	0	0	0	111.3	F71 T160 L189 V198	F71-S196 WeakPolarHBondContact CE1-O 3.49Å; F71-S196 VanDerWaalsContact CZ-O 3.26Å; F71-S196 WeakPolarHBondContact CZ-O 3.39Å; T160-S196 PolarHBondContact O-N 3.4Å; L189-S196 WeakPolarHBondContact O-CA 3.07Å; L189-S196 VanDerWaalsContact O-CB 3.24Å; L189-S196 WeakPolarHBondContact O-CB 3.24Å; L189-S196 PolarHBondContact O-OG 3.28Å; S196-V198 PolarHBondContact O-N 2.99Å; S196-V198 PolarHBondContact OG-N 3.47Å; S196-V198 VanDerWaalsContact OG-N 3.14Å
197	E	97.5	Very high	96	Very high	61 Å²	61	55 Å²	55	29%	0.285	30%	0.296	S	S	.	.	S	Bend	trans	-71.5	-10.6	172	-64.9	-173	-171.2	0	0	114	L72 Y190 N192 L199 F209	L72-E197 HydrophobicContact CD1-CB 4.08Å; L72-E197 HydrophobicContact CD1-CG 4.26Å; L72-E197 HydrophobicContact CD2-CG 4.03Å; Y190-E197 WeakPolarHBondContact O-CG 3.23Å; Y190-E197 PolarHBondContact O-N 3.07Å; N192-E197 HydrophobicContact CB-CG 4.14Å; E197-L199 PolarHBondContact O-N 2.86Å; E197-F209 HydrophobicContact CB-CE1 3.89Å; E197-F209 HydrophobicContact CB-CZ 3.95Å
198	V	96.9	Very high	95.9	Very high	2 Å²	2	55.7 Å²	55.7	1%	0.012	29%	0.289	C	S	.	.			trans	-83.8	94.2	178.9	-170.3	0	0	0	0	109.8	Y190 S196 P204 F209 F212	Y190-V198 HydrophobicContact CD2-CG2 4.1Å; S196-V198 PolarHBondContact O-N 2.99Å; S196-V198 PolarHBondContact OG-N 3.47Å; S196-V198 VanDerWaalsContact OG-N 3.14Å; V198-P204 HydrophobicContact CG1-CB 3.99Å; V198-F209 HydrophobicContact CG1-CD2 4.5Å; V198-F209 HydrophobicContact CG2-CB 3.96Å; V198-F209 HydrophobicContact CG2-CD1 4.09Å; V198-F209 HydrophobicContact CG2-CD2 3.87Å; V198-F209 HydrophobicContact CG2-CE2 4.34Å; V198-F209 HydrophobicContact CG2-CG 3.71Å; V198-F212 HydrophobicContact CB-CD2 3.98Å; V198-F212 HydrophobicContact CB-CE2 3.91Å; V198-F212 HydrophobicContact CB-CG 4.48Å; V198-F212 HydrophobicContact CB-CZ 4.37Å; V198-F212 HydrophobicContact CG1-CD1 4.04Å; V198-F212 HydrophobicContact CG1-CD2 3.97Å; V198-F212 HydrophobicContact CG1-CE1 3.95Å; V198-F212 HydrophobicContact CG1-CE2 3.86Å; V198-F212 HydrophobicContact CG1-CG 4.05Å; V198-F212 HydrophobicContact CG1-CZ 3.86Å; V198-F212 HydrophobicContact CG2-CB 4.38Å; V198-F212 HydrophobicContact CG2-CD2 3.64Å; V198-F212 HydrophobicContact CG2-CE2 4.09Å; V198-F212 HydrophobicContact CG2-CG 4.06Å
199	L	94.4	Very high	95.9	Very high	28 Å²	28	54.3 Å²	54.3	15%	0.147	28%	0.283	C	S	.	.			trans	-75.4	-49	-176.7	-60.1	174.3	0	0	0	112.8	D70 F71 W159 E197 I201	D70-L199 HydrophobicContact CB-CD1 3.81Å; D70-L199 WeakPolarHBondContact OD1-CD1 3.33Å; D70-L199 WeakPolarHBondContact OD2-CD1 3.19Å; F71-L199 HydrophobicContact CD1-CD2 3.89Å; F71-L199 HydrophobicContact CE1-CD2 3.82Å; W159-L199 HydrophobicContact CB-CD2 4.13Å; E197-L199 PolarHBondContact O-N 2.86Å; L199-I201 PolarHBondContact O-N 3.08Å
200	D	94.6	Very high	95.8	Very high	58 Å²	58	57.4 Å²	57.4	31%	0.31	30%	0.303	S	S	.	.			trans	-91.9	96.5	174.7	-168.1	-18.2	0	0	0	110.2	D202 A203 P204	D200-D202 VanDerWaalsContact C-N 3.31Å; D200-D202 PolarHBondContact OD1-N 2.88Å; D200-A203 CarbonylContact O-C 3.57Å; D200-A203 PolarHBondContact OD1-N 2.91Å; D200-P204 WeakPolarHBondContact O-CA 3.33Å
201	I	95.6	Very high	95.7	Very high	3 Å²	3	58 Å²	58	2%	0.015	31%	0.308	C	S	.	.	S	Bend	trans	-80	-12	178.1	63.7	165.2	0	0	0	113.4	A179 L199 F212 R217 N237	A179-I201 HydrophobicContact CB-CD1 3.49Å; A179-I201 VanDerWaalsContact CB-CD1 3.49Å; L199-I201 PolarHBondContact O-N 3.08Å; I201-F212 HydrophobicContact CB-CE1 4.47Å; I201-F212 HydrophobicContact CB-CZ 4.06Å; I201-F212 HydrophobicContact CG2-CZ 3.84Å; I201-R217 PolarHBondContact O-NH1 3.14Å; I201-R217 VanDerWaalsContact O-NH1 3.08Å; I201-N237 HydrophobicContact CD1-CB 3.75Å
202	D	94.4	Very high	95.7	Very high	58 Å²	58	55.1 Å²	55.1	31%	0.31	29%	0.293	S	S	.	.	S	Bend	trans	-93.7	-29.3	-179.9	-68.3	-49.4	0	0	0	111.4	R6 R177 D200 R217	R6-D202 IonicContact NH2-OD1 2.98Å; R177-D202 IonicContact CZ-OD1 3Å; R177-D202 IonicContact CZ-OD2 3.79Å; R177-D202 VanDerWaalsContact CZ-OD2 3.23Å; R177-D202 IonicContact NH1-OD1 3.65Å; R177-D202 PolarHBondContact NH1-OD1 3.29Å; R177-D202 IonicContact NH1-OD2 2.64Å; R177-D202 PolarHBondContact NH1-OD2 3.14Å; R177-D202 IonicContact NH2-OD1 3.91Å; R177-D202 IonicContact NH2-OD2 3.68Å; R177-D202 PolarHBondContact NH2-OD2 3.33Å; D200-D202 VanDerWaalsContact C-N 3.31Å; D200-D202 PolarHBondContact OD1-N 2.88Å; D202-R217 IonicContact OD1-CZ 3.53Å; D202-R217 VanDerWaalsContact OD1-CZ 3.31Å; D202-R217 IonicContact OD1-NH1 3.46Å; D202-R217 PolarHBondContact OD1-NH1 3.1Å; D202-R217 IonicContact OD1-NH2 3.61Å; D202-R217 PolarHBondContact OD1-NH2 3.31Å
203	A	94.1	Very high	95.7	Very high	54 Å²	54	52.9 Å²	52.9	45%	0.446	28%	0.28	S	S	.	.	S	Bend	trans	-134.3	68.2	171.8	0	0	0	0	0	111.5	D200	D200-A203 CarbonylContact O-C 3.57Å; D200-A203 PolarHBondContact OD1-N 2.91Å
204	P	94.6	Very high	95.7	Very high	30 Å²	30	55.6 Å²	55.6	20%	0.195	28%	0.276	C	S	.	.			trans	-65.9	142.2	-175.9	28.1	-36.1	0	0	0	112.4	V198 D200 L206 F212	V198-P204 HydrophobicContact CG1-CB 3.99Å; D200-P204 WeakPolarHBondContact O-CA 3.33Å; P204-L206 VanDerWaalsContact C-N 3.33Å; P204-L206 HydrophobicContact CB-CD2 4.28Å; P204-L206 HydrophobicContact CG-CD2 3.97Å; P204-L206 HydrophobicContact CG-CG 4.39Å; P204-L206 PolarHBondContact O-N 2.92Å; P204-F212 HydrophobicContact CB-CD1 3.68Å; P204-F212 HydrophobicContact CB-CE1 4.01Å; P204-F212 HydrophobicContact CG-CD1 3.81Å; P204-F212 HydrophobicContact CG-CE1 4.08Å
205	D	95	Very high	95.8	Very high	74 Å²	74	54.1 Å²	54.1	40%	0.396	27%	0.268	S	S	.	.			trans	-73.3	86.9	170.5	-175.4	-10	0	0	0	110.2	K207 R208 F209	D205-K207 PolarHBondContact O-N 3.46Å; D205-K207 VanDerWaalsContact O-N 3.17Å; D205-K207 WeakPolarHBondContact OD1-CB 3.34Å; D205-K207 PolarHBondContact OD1-N 3.34Å; D205-R208 HydrophobicContact CB-CB 4.38Å; D205-R208 PolarHBondContact O-N 2.55Å; D205-R208 PolarHBondContact OD1-N 2.9Å; D205-R208 WeakPolarHBondContact OD2-CD 3.35Å; D205-R208 WeakPolarHBondContact OD2-CG 3.29Å; D205-F209 HydrophobicContact CB-CD2 4.48Å; D205-F209 PolarHBondContact O-N 2.95Å
206	L	94.9	Very high	95.7	Very high	57 Å²	57	53.4 Å²	53.4	30%	0.298	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-10.6	-179.4	-61.9	-179.7	0	0	0	113.8	P204 P210 I213	P204-L206 VanDerWaalsContact C-N 3.33Å; P204-L206 HydrophobicContact CB-CD2 4.28Å; P204-L206 HydrophobicContact CG-CD2 3.97Å; P204-L206 HydrophobicContact CG-CG 4.39Å; P204-L206 PolarHBondContact O-N 2.92Å; L206-P210 WeakPolarHBondContact O-CA 3.1Å; L206-P210 WeakPolarHBondContact O-CB 3.36Å; L206-I213 HydrophobicContact CD2-CB 4.31Å
207	K	95.8	Very high	95.7	Very high	203 Å²	203	53.5 Å²	53.5	88%	0.883	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-35.9	170	-63.1	179.3	178.9	175.1	0	110.6	D205	D205-K207 PolarHBondContact O-N 3.46Å; D205-K207 VanDerWaalsContact O-N 3.17Å; D205-K207 WeakPolarHBondContact OD1-CB 3.34Å; D205-K207 PolarHBondContact OD1-N 3.34Å
208	R	95.5	Very high	95.7	Very high	142 Å²	142	52.8 Å²	52.8	54%	0.536	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-37.8	176.8	-68.5	177.2	64.2	-171.2	-3.5	112.3	D205 P210	D205-R208 HydrophobicContact CB-CB 4.38Å; D205-R208 PolarHBondContact O-N 2.55Å; D205-R208 PolarHBondContact OD1-N 2.9Å; D205-R208 WeakPolarHBondContact OD2-CD 3.35Å; D205-R208 WeakPolarHBondContact OD2-CG 3.29Å; R208-P210 WeakPolarHBondContact O-CD 3.08Å
209	F	96.6	Very high	95.8	Very high	15 Å²	15	54 Å²	54	7%	0.066	27%	0.267	C	S	.	.			trans	-124.7	57.2	-171.9	-50.2	-62.1	0	0	0	112.5	Y190 E197 V198 D205 E211 F212	Y190-F209 AromaticContact CD1-CD1 3.73Å; Y190-F209 HydrophobicContact CD1-CD1 3.73Å; Y190-F209 HydrophobicContact CD1-CE1 4.35Å; Y190-F209 HydrophobicContact CD2-CB 3.92Å; Y190-F209 AromaticContact CD2-CD1 3.77Å; Y190-F209 HydrophobicContact CD2-CD1 3.77Å; Y190-F209 HydrophobicContact CD2-CG 4.22Å; Y190-F209 HydrophobicContact CE1-CD1 4.06Å; Y190-F209 HydrophobicContact CE2-CB 3.62Å; Y190-F209 HydrophobicContact CE2-CD1 4.11Å; Y190-F209 HydrophobicContact CE2-CG 4.34Å; Y190-F209 AromaticContact CG-CD1 3.57Å; Y190-F209 HydrophobicContact CG-CD1 3.57Å; Y190-F209 HydrophobicContact CG-CE1 4.21Å; Y190-F209 HydrophobicContact CG-CG 4.45Å; Y190-F209 VanDerWaalsContact OH-C 3.31Å; Y190-F209 WeakPolarHBondContact OH-CA 3.42Å; E197-F209 HydrophobicContact CB-CE1 3.89Å; E197-F209 HydrophobicContact CB-CZ 3.95Å; V198-F209 HydrophobicContact CG1-CD2 4.5Å; V198-F209 HydrophobicContact CG2-CB 3.96Å; V198-F209 HydrophobicContact CG2-CD1 4.09Å; V198-F209 HydrophobicContact CG2-CD2 3.87Å; V198-F209 HydrophobicContact CG2-CE2 4.34Å; V198-F209 HydrophobicContact CG2-CG 3.71Å; D205-F209 HydrophobicContact CB-CD2 4.48Å; D205-F209 PolarHBondContact O-N 2.95Å; F209-E211 PolarHBondContact O-N 2.91Å; F209-F212 HydrophobicContact CB-CB 4.19Å; F209-F212 WeakPolarHBondContact O-CB 3.23Å; F209-F212 PolarHBondContact O-N 2.83Å; F209-F212 VanDerWaalsContact O-N 3.13Å
210	P	95.6	Very high	96	Very high	64 Å²	64	53.1 Å²	53.1	42%	0.416	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-59.7	-31	-174.1	23.5	-35.3	0	0	0	114	Y190 L206 R208 F212 I213	Y190-P210 VanDerWaalsContact OH-CD 3.22Å; Y190-P210 WeakPolarHBondContact OH-CD 3.32Å; L206-P210 WeakPolarHBondContact O-CA 3.1Å; L206-P210 WeakPolarHBondContact O-CB 3.36Å; R208-P210 WeakPolarHBondContact O-CD 3.08Å; P210-F212 VanDerWaalsContact C-N 3.28Å; P210-F212 PolarHBondContact O-N 2.9Å; P210-I213 WeakPolarHBondContact O-CG2 3.31Å
211	E	96.2	Very high	96.2	Very high	73 Å²	73	52.5 Å²	52.5	34%	0.341	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-78.2	-13.9	-177.5	-59.9	-68.1	118.8	0	0	112.7	H188 Y190 F209 I213 K214	H188-E211 WeakPolarHBondContact CB-O 3.32Å; Y190-E211 HydrophobicContact CE2-CB 4.06Å; Y190-E211 VanDerWaalsContact OH-CB 3.29Å; Y190-E211 WeakPolarHBondContact OH-CB 3.26Å; Y190-E211 WeakPolarHBondContact OH-CG 3.41Å; Y190-E211 PolarHBondContact OH-N 2.76Å; F209-E211 PolarHBondContact O-N 2.91Å; E211-I213 PolarHBondContact O-N 2.88Å; E211-K214 WeakPolarHBondContact O-CB 3.3Å; E211-K214 PolarHBondContact O-N 3.25Å; E211-K214 IonicContact OE1-NZ 3.78Å; E211-K214 PolarHBondContact OE1-NZ 3.28Å; E211-K214 WeakPolarHBondContact OE2-CD 3.21Å; E211-K214 VanDerWaalsContact OE2-CE 3.31Å; E211-K214 WeakPolarHBondContact OE2-CE 3.09Å; E211-K214 IonicContact OE2-NZ 2.79Å; E211-K214 PolarHBondContact OE2-NZ 3.07Å
212	F	96.8	Very high	96.3	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-60.5	-34.6	-177.1	-176.5	-104.6	0	0	0	111.9	Q4 Y181 H188 L189 Y190 V198 I201 P204 F209 P210 K214 A215	Q4-F212 VanDerWaalsContact NE2-CE1 3.34Å; Q4-F212 PolarHBondContact NE2-O 3.17Å; Q4-F212 VanDerWaalsContact OE1-CE1 3.29Å; Y181-F212 HydrophobicContact CE1-CE2 4.49Å; Y181-F212 HydrophobicContact CE1-CZ 4.25Å; Y181-F212 AromaticContact CZ-CZ 3.92Å; Y181-F212 WeakPolarHBondContact OH-CZ 3.27Å; H188-F212 VanDerWaalsContact O-CA 3.28Å; H188-F212 WeakPolarHBondContact O-CA 3.38Å; L189-F212 HydrophobicContact CD2-CD2 3.95Å; L189-F212 HydrophobicContact CD2-CE2 3.57Å; Y190-F212 HydrophobicContact CE2-CB 4.28Å; V198-F212 HydrophobicContact CB-CD2 3.98Å; V198-F212 HydrophobicContact CB-CE2 3.91Å; V198-F212 HydrophobicContact CB-CG 4.48Å; V198-F212 HydrophobicContact CB-CZ 4.37Å; V198-F212 HydrophobicContact CG1-CD1 4.04Å; V198-F212 HydrophobicContact CG1-CD2 3.97Å; V198-F212 HydrophobicContact CG1-CE1 3.95Å; V198-F212 HydrophobicContact CG1-CE2 3.86Å; V198-F212 HydrophobicContact CG1-CG 4.05Å; V198-F212 HydrophobicContact CG1-CZ 3.86Å; V198-F212 HydrophobicContact CG2-CB 4.38Å; V198-F212 HydrophobicContact CG2-CD2 3.64Å; V198-F212 HydrophobicContact CG2-CE2 4.09Å; V198-F212 HydrophobicContact CG2-CG 4.06Å; I201-F212 HydrophobicContact CB-CE1 4.47Å; I201-F212 HydrophobicContact CB-CZ 4.06Å; I201-F212 HydrophobicContact CG2-CZ 3.84Å; P204-F212 HydrophobicContact CB-CD1 3.68Å; P204-F212 HydrophobicContact CB-CE1 4.01Å; P204-F212 HydrophobicContact CG-CD1 3.81Å; P204-F212 HydrophobicContact CG-CE1 4.08Å; F209-F212 HydrophobicContact CB-CB 4.19Å; F209-F212 WeakPolarHBondContact O-CB 3.23Å; F209-F212 PolarHBondContact O-N 2.83Å; F209-F212 VanDerWaalsContact O-N 3.13Å; P210-F212 VanDerWaalsContact C-N 3.28Å; P210-F212 PolarHBondContact O-N 2.9Å; F212-K214 PolarHBondContact O-N 3.11Å; F212-A215 WeakPolarHBondContact O-CB 3.43Å; F212-A215 PolarHBondContact O-N 3.16Å
213	I	95.1	Very high	96.5	Very high	41 Å²	41	52.4 Å²	52.4	21%	0.21	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-58.7	-22.1	177.8	-160.2	69.8	0	0	0	113.1	E2 Q4 L206 P210 E211	E2-I213 HydrophobicContact CB-CD1 3.9Å; E2-I213 HydrophobicContact CB-CG1 4.07Å; E2-I213 WeakPolarHBondContact O-CD1 3.16Å; Q4-I213 HydrophobicContact CG-CD1 3.93Å; L206-I213 HydrophobicContact CD2-CB 4.31Å; P210-I213 WeakPolarHBondContact O-CG2 3.31Å; E211-I213 PolarHBondContact O-N 2.88Å
214	K	95.4	Very high	96.7	Very high	114 Å²	114	52.9 Å²	52.9	50%	0.496	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-81	-16.5	178.7	-56.3	-179.7	-172.2	170.8	0	113.1	E211 F212	E211-K214 WeakPolarHBondContact O-CB 3.3Å; E211-K214 PolarHBondContact O-N 3.25Å; E211-K214 IonicContact OE1-NZ 3.78Å; E211-K214 PolarHBondContact OE1-NZ 3.28Å; E211-K214 WeakPolarHBondContact OE2-CD 3.21Å; E211-K214 VanDerWaalsContact OE2-CE 3.31Å; E211-K214 WeakPolarHBondContact OE2-CE 3.09Å; E211-K214 IonicContact OE2-NZ 2.79Å; E211-K214 PolarHBondContact OE2-NZ 3.07Å; F212-K214 PolarHBondContact O-N 3.11Å
215	A	96.4	Very high	96.9	Very high	3 Å²	3	52.2 Å²	52.2	3%	0.025	26%	0.257	C	S	.	.	S	Bend	trans	-70.4	130.2	175.6	0	0	0	0	0	110.4	Q4 Y181 D185 H188 L189 F212 R217	Q4-A215 PolarHBondContact NE2-O 3.43Å; Q4-A215 VanDerWaalsContact NE2-O 3.17Å; Y181-A215 HydrophobicContact CD1-CB 3.82Å; Y181-A215 HydrophobicContact CE1-CB 4.22Å; D185-A215 HydrophobicContact CB-CB 4.02Å; H188-A215 HydrophobicContact CB-CB 3.82Å; L189-A215 HydrophobicContact CD2-CB 4.13Å; F212-A215 WeakPolarHBondContact O-CB 3.43Å; F212-A215 PolarHBondContact O-N 3.16Å; A215-R217 PolarHBondContact O-N 3.48Å
216	Q	96.6	Very high	97	Very high	42 Å²	42	49.1 Å²	49.1	20%	0.196	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-79.7	116.4	176.5	-176.2	69.7	67.8	0	0	109.7	E5 V7 Y181 D185 Y218	E5-Q216 PolarHBondContact O-NE2 3.13Å; V7-Q216 HydrophobicContact CG2-CG 4.11Å; Y181-Q216 WeakPolarHBondContact CD1-O 3.34Å; D185-Q216 PolarHBondContact OD2-N 2.78Å; Q216-Y218 HydrophobicContact CB-CE2 4.29Å; Q216-Y218 HydrophobicContact CG-CD2 4.31Å; Q216-Y218 HydrophobicContact CG-CE2 3.74Å
217	R	97.5	Very high	97.2	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.008	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	125.4	175.4	-175.5	171.6	168.5	167.7	-3.3	111	Q4 V7 A179 Y181 I201 D202 A215 D219	Q4-R217 HydrophobicContact CB-CB 4.43Å; V7-R217 PolarHBondContact N-O 3.33Å; A179-R217 HydrophobicContact CB-CG 4.28Å; Y181-R217 HydrophobicContact CD1-CB 4.37Å; Y181-R217 HydrophobicContact CE1-CB 3.71Å; Y181-R217 HydrophobicContact CE1-CG 4.04Å; I201-R217 PolarHBondContact O-NH1 3.14Å; I201-R217 VanDerWaalsContact O-NH1 3.08Å; D202-R217 IonicContact OD1-CZ 3.53Å; D202-R217 VanDerWaalsContact OD1-CZ 3.31Å; D202-R217 IonicContact OD1-NH1 3.46Å; D202-R217 PolarHBondContact OD1-NH1 3.1Å; D202-R217 IonicContact OD1-NH2 3.61Å; D202-R217 PolarHBondContact OD1-NH2 3.31Å; A215-R217 PolarHBondContact O-N 3.48Å; R217-D219 IonicContact CZ-OD2 3.31Å; R217-D219 IonicContact NE-OD2 3.81Å; R217-D219 PolarHBondContact NE-OD2 2.88Å; R217-D219 IonicContact NH2-OD2 2.81Å; R217-D219 PolarHBondContact NH2-OD2 3.35Å
218	Y	98.6	Very high	97.3	Very high	45 Å²	45	36.8 Å²	36.8	18%	0.176	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	137.6	163.7	-66.1	-103.2	0	0	0	108.5	V7 A179 L180 R182 Q216 W234	V7-Y218 HydrophobicContact CB-CD1 3.91Å; V7-Y218 HydrophobicContact CB-CE1 4.02Å; V7-Y218 HydrophobicContact CB-CG 4.41Å; V7-Y218 HydrophobicContact CG1-CD1 3.82Å; V7-Y218 HydrophobicContact CG1-CE1 3.68Å; V7-Y218 CarbonylContact O-C 3.5Å; V7-Y218 WeakPolarHBondContact O-CA 3.23Å; A179-Y218 CarbonylContact C-O 3.46Å; A179-Y218 VanDerWaalsContact CA-O 3.27Å; A179-Y218 WeakPolarHBondContact CA-O 3.49Å; L180-Y218 PolarHBondContact N-O 3.28Å; L180-Y218 PolarHBondContact O-N 3.31Å; R182-Y218 HydrophobicContact CG-CE2 3.87Å; Q216-Y218 HydrophobicContact CB-CE2 4.29Å; Q216-Y218 HydrophobicContact CG-CD2 4.31Å; Q216-Y218 HydrophobicContact CG-CE2 3.74Å; Y218-W234 HydrophobicContact CD2-CH2 4.29Å; Y218-W234 AromaticContact CD2-CZ3 3.83Å; Y218-W234 HydrophobicContact CD2-CZ3 3.83Å; Y218-W234 HydrophobicContact CE2-CH2 4.07Å; Y218-W234 HydrophobicContact CE2-CZ3 4.04Å; Y218-W234 HydrophobicContact CG-CZ3 4.28Å
219	D	97.8	Very high	97.5	Very high	27 Å²	27	30 Å²	30	14%	0.144	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	141.9	-175.3	-148.2	-68.6	0	0	0	111.3	V7 V9 R177 R217	V7-D219 PolarHBondContact O-N 3.39Å; V9-D219 PolarHBondContact N-O 3.02Å; R177-D219 WeakPolarHBondContact CG-OD1 3.47Å; R217-D219 IonicContact CZ-OD2 3.31Å; R217-D219 IonicContact NE-OD2 3.81Å; R217-D219 PolarHBondContact NE-OD2 2.88Å; R217-D219 IonicContact NH2-OD2 2.81Å; R217-D219 PolarHBondContact NH2-OD2 3.35Å
220	C	98.6	Very high	97.6	Very high	11 Å²	11	29.6 Å²	29.6	7%	0.074	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	157.9	171.9	61	0	0	0	0	112.4	V9 I32 R177 V178	V9-C220 HydrophobicContact CB-CB 3.95Å; V9-C220 HydrophobicContact CG2-CB 3.91Å; I32-C220 HydrophobicContact CD1-CB 3.46Å; I32-C220 VanDerWaalsContact CD1-CB 3.46Å; I32-C220 HydrophobicContact CG1-CB 4.28Å; R177-C220 CarbonylContact C-O 3.59Å; R177-C220 WeakPolarHBondContact CA-O 3.34Å; V178-C220 PolarHBondContact N-O 2.86Å; V178-C220 PolarHBondContact O-N 3.36Å
221	V	98.7	Very high	97.8	Very high	44 Å²	44	26.6 Å²	26.6	27%	0.267	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	124	165.6	179.4	0	0	0	0	108.1	R175 K176 R177 L241	R175-V221 HydrophobicContact CB-CG1 4.4Å; K176-V221 WeakPolarHBondContact O-CA 3.27Å; R177-V221 HydrophobicContact CB-CG2 4.3Å; R177-V221 HydrophobicContact CG-CG2 4.35Å; V221-L241 HydrophobicContact CG1-CD1 3.76Å; V221-L241 HydrophobicContact CG2-CD1 4.09Å
222	L	98.8	Very high	97.9	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	126.5	173	-53.7	-179.5	0	0	0	109	I32 L169 Q171 R175 K176 V178 D226 L228	I32-L222 HydrophobicContact CD1-CD2 4.2Å; I32-L222 HydrophobicContact CG1-CD2 4.05Å; I32-L222 HydrophobicContact CG2-CD2 4.35Å; L169-L222 HydrophobicContact CD2-CD1 3.83Å; L169-L222 HydrophobicContact CG-CD1 4.03Å; Q171-L222 HydrophobicContact CB-CB 3.75Å; Q171-L222 HydrophobicContact CB-CD1 4.24Å; Q171-L222 HydrophobicContact CG-CB 3.93Å; R175-L222 WeakPolarHBondContact CA-O 3.38Å; K176-L222 PolarHBondContact N-O 3.31Å; K176-L222 VanDerWaalsContact N-O 3.12Å; K176-L222 PolarHBondContact O-N 3.13Å; V178-L222 HydrophobicContact CG2-CD1 3.93Å; V178-L222 HydrophobicContact CG2-CG 4.25Å; L222-D226 HydrophobicContact CB-CB 4.18Å; L222-D226 HydrophobicContact CD2-CB 4.2Å; L222-L228 HydrophobicContact CD1-CB 3.81Å; L222-L228 HydrophobicContact CD1-CD2 4.21Å; L222-L228 HydrophobicContact CD2-CB 3.84Å; L222-L228 HydrophobicContact CD2-CD2 4.5Å; L222-L228 HydrophobicContact CG-CB 4.47Å
223	E	98.5	Very high	98	Very high	60 Å²	60	27.7 Å²	27.7	28%	0.28	15%	0.148	S	C	.	.	P	Polyproline II helix	trans	-91.4	162.5	170.2	-57.2	-61.4	158.8	0	0	110.4	R175 G225 D226	R175-E223 VanDerWaalsContact CD-OE2 3.23Å; R175-E223 WeakPolarHBondContact CD-OE2 3.48Å; R175-E223 VanDerWaalsContact CG-OE2 3.22Å; R175-E223 WeakPolarHBondContact CG-OE2 3.24Å; R175-E223 IonicContact CZ-OE1 3.23Å; R175-E223 VanDerWaalsContact CZ-OE1 3.23Å; R175-E223 IonicContact CZ-OE2 3.96Å; R175-E223 VanDerWaalsContact NE-CD 3.27Å; R175-E223 IonicContact NE-OE1 2.83Å; R175-E223 PolarHBondContact NE-OE1 3.23Å; R175-E223 IonicContact NE-OE2 2.93Å; R175-E223 PolarHBondContact NE-OE2 3.07Å; R175-E223 IonicContact NH2-OE1 2.78Å; R175-E223 PolarHBondContact NH2-OE1 3.34Å; E223-G225 PolarHBondContact O-N 3.49Å; E223-D226 PolarHBondContact N-OD2 2.96Å; E223-D226 VanDerWaalsContact O-CB 3.29Å; E223-D226 WeakPolarHBondContact O-CB 3.41Å; E223-D226 PolarHBondContact O-N 3.14Å
224	P	98.3	Very high	98.1	Very high	64 Å²	64	26.4 Å²	26.4	42%	0.416	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	126.5	170.3	-28.4	37.3	0	0	0	111.9	V42 V172	V42-P224 HydrophobicContact CG1-CB 4.42Å; V172-P224 WeakPolarHBondContact O-CB 3.4Å
225	G	97.8	Very high	98.3	Very high	16 Å²	16	21.2 Å²	21.2	17%	0.165	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	93	-12.7	-175.4	0	0	0	0	0	114.8	Q171 E223	Q171-G225 PolarHBondContact O-N 2.78Å; E223-G225 PolarHBondContact O-N 3.49Å
226	D	98.4	Very high	98.4	Very high	9 Å²	9	21.3 Å²	21.3	5%	0.048	12%	0.118	C	C	.	.			trans	-71.9	142	174.8	-74.4	-12.7	0	0	0	110.6	I32 R34 Q171 L222 E223	I32-D226 HydrophobicContact CG2-CB 4.09Å; R34-D226 VanDerWaalsContact CG-OD1 3.25Å; R34-D226 WeakPolarHBondContact CG-OD1 3.33Å; R34-D226 IonicContact CZ-OD1 2.83Å; R34-D226 IonicContact CZ-OD2 3.42Å; R34-D226 IonicContact NE-OD1 3.96Å; R34-D226 PolarHBondContact NE-OD1 3.21Å; R34-D226 IonicContact NE-OD2 3.89Å; R34-D226 IonicContact NH2-OD2 3.53Å; R34-D226 PolarHBondContact NH2-OD2 2.88Å; Q171-D226 PolarHBondContact N-O 2.65Å; L222-D226 HydrophobicContact CB-CB 4.18Å; L222-D226 HydrophobicContact CD2-CB 4.2Å; E223-D226 PolarHBondContact N-OD2 2.96Å; E223-D226 VanDerWaalsContact O-CB 3.29Å; E223-D226 WeakPolarHBondContact O-CB 3.41Å; E223-D226 PolarHBondContact O-N 3.14Å
227	L	98.3	Very high	98.5	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.005	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	122.8	172.4	-171.5	120.3	0	0	0	109.7	I32 L33 L38 P136 F138 L168 A170	I32-L227 CarbonylContact C-O 3.6Å; L33-L227 HydrophobicContact CB-CB 4.39Å; L33-L227 HydrophobicContact CB-CD2 4.28Å; L33-L227 HydrophobicContact CD1-CD2 3.62Å; L33-L227 HydrophobicContact CG-CD2 4.18Å; L33-L227 PolarHBondContact N-O 3.11Å; L33-L227 PolarHBondContact O-N 3.35Å; L33-L227 VanDerWaalsContact O-N 3.14Å; L38-L227 HydrophobicContact CD2-CD1 3.68Å; P136-L227 HydrophobicContact CG-CD1 4.08Å; F138-L227 HydrophobicContact CE2-CD2 4.12Å; L168-L227 HydrophobicContact CB-CD1 4.13Å; L168-L227 HydrophobicContact CB-CD2 4.12Å; L168-L227 HydrophobicContact CB-CG 4.2Å; L168-L227 HydrophobicContact CD1-CD1 4.42Å; L168-L227 HydrophobicContact CD1-CD2 3.98Å; L168-L227 HydrophobicContact CD2-CD2 3.46Å; L168-L227 VanDerWaalsContact CD2-CD2 3.46Å; L168-L227 HydrophobicContact CD2-CG 4.35Å; L168-L227 HydrophobicContact CG-CD2 3.98Å; A170-L227 HydrophobicContact CB-CD1 3.96Å
228	L	98.9	Very high	98.6	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	116.1	176.9	177.4	64.9	0	0	0	110	V9 P30 I32 L168 L169 V178 L180 L222 I230	V9-L228 HydrophobicContact CG1-CD1 4.1Å; P30-L228 HydrophobicContact CB-CD1 4.39Å; I32-L228 HydrophobicContact CG1-CD1 4.14Å; L168-L228 WeakPolarHBondContact CA-O 3.25Å; L169-L228 HydrophobicContact CB-CB 4.25Å; L169-L228 PolarHBondContact N-O 3.25Å; L169-L228 PolarHBondContact O-N 3.38Å; V178-L228 HydrophobicContact CB-CD2 3.93Å; V178-L228 HydrophobicContact CG1-CD2 3.82Å; V178-L228 HydrophobicContact CG2-CD2 3.94Å; L180-L228 HydrophobicContact CD1-CD2 4.36Å; L222-L228 HydrophobicContact CD1-CB 3.81Å; L222-L228 HydrophobicContact CD1-CD2 4.21Å; L222-L228 HydrophobicContact CD2-CB 3.84Å; L222-L228 HydrophobicContact CD2-CD2 4.5Å; L222-L228 HydrophobicContact CG-CB 4.47Å; L228-I230 HydrophobicContact CD2-CD1 3.93Å; L228-I230 HydrophobicContact CD2-CG1 3.89Å; L228-I230 HydrophobicContact CG-CD1 4.31Å; L228-I230 HydrophobicContact CG-CG1 3.77Å
229	F	98.9	Very high	98.6	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	124.9	165.3	173.6	-130.5	0	0	0	109.6	F20 V24 Y25 P30 A31 D166 L168 P231 W251	F20-F229 HydrophobicContact CE2-CB 4.1Å; F20-F229 HydrophobicContact CE2-CD1 4.14Å; F20-F229 HydrophobicContact CE2-CD2 4.27Å; F20-F229 AromaticContact CE2-CG 3.91Å; F20-F229 HydrophobicContact CE2-CG 3.91Å; F20-F229 HydrophobicContact CZ-CD1 4.37Å; F20-F229 HydrophobicContact CZ-CD2 4Å; F20-F229 HydrophobicContact CZ-CE2 4.2Å; F20-F229 HydrophobicContact CZ-CG 4.09Å; F20-F229 HydrophobicContact CZ-CZ 4.46Å; V24-F229 HydrophobicContact CG1-CD1 3.95Å; Y25-F229 HydrophobicContact CD2-CE1 4.12Å; Y25-F229 AromaticContact CD2-CE2 3.98Å; Y25-F229 HydrophobicContact CD2-CE2 3.98Å; Y25-F229 AromaticContact CD2-CZ 3.49Å; Y25-F229 HydrophobicContact CD2-CZ 3.49Å; Y25-F229 VanDerWaalsContact CD2-CZ 3.49Å; Y25-F229 HydrophobicContact CE2-CE2 4.03Å; Y25-F229 AromaticContact CE2-CZ 3.76Å; Y25-F229 HydrophobicContact CE2-CZ 3.76Å; P30-F229 WeakPolarHBondContact CA-O 3.49Å; A31-F229 PolarHBondContact N-O 2.76Å; A31-F229 PolarHBondContact O-N 2.98Å; D166-F229 HydrophobicContact CB-CE2 4.26Å; L168-F229 HydrophobicContact CD2-CB 3.96Å; L168-F229 HydrophobicContact CD2-CD2 4.03Å; L168-F229 HydrophobicContact CD2-CG 4.43Å; F229-P231 HydrophobicContact CD1-CG 4.26Å; F229-P231 HydrophobicContact CE1-CB 4.28Å; F229-P231 HydrophobicContact CE1-CG 3.69Å; F229-P231 HydrophobicContact CZ-CB 3.92Å; F229-P231 HydrophobicContact CZ-CG 3.83Å; F229-W251 AromaticContact CD2-CH2 3.76Å; F229-W251 HydrophobicContact CD2-CH2 3.76Å; F229-W251 HydrophobicContact CD2-CZ2 4.32Å; F229-W251 AromaticContact CE2-CH2 3.67Å; F229-W251 HydrophobicContact CE2-CH2 3.67Å; F229-W251 AromaticContact CE2-CZ2 3.83Å; F229-W251 HydrophobicContact CE2-CZ2 3.83Å
230	I	98.9	Very high	98.6	Very high	5 Å²	5	18.3 Å²	18.3	3%	0.026	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	104.7	174.8	-50.5	177.2	0	0	0	106.6	N167 L169 L180 L228 W234	N167-I230 HydrophobicContact CB-CB 4.21Å; N167-I230 PolarHBondContact N-O 2.88Å; N167-I230 PolarHBondContact O-N 3.32Å; L169-I230 HydrophobicContact CB-CD1 4.4Å; L180-I230 HydrophobicContact CD2-CD1 4.38Å; L180-I230 HydrophobicContact CD2-CG1 4.1Å; L180-I230 HydrophobicContact CD2-CG2 4.01Å; L228-I230 HydrophobicContact CD2-CD1 3.93Å; L228-I230 HydrophobicContact CD2-CG1 3.89Å; L228-I230 HydrophobicContact CG-CD1 4.31Å; L228-I230 HydrophobicContact CG-CG1 3.77Å; I230-W234 HydrophobicContact CG2-CB 3.88Å
231	P	98.8	Very high	98.6	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.013	12%	0.117	C	C	.	.			trans	-62.8	147.3	175.2	-10	20.1	0	0	0	110.4	R28 D166 F229 L233 W234	R28-P231 VanDerWaalsContact C-CG 3.45Å; D166-P231 WeakPolarHBondContact OD1-CA 3.48Å; F229-P231 HydrophobicContact CD1-CG 4.26Å; F229-P231 HydrophobicContact CE1-CB 4.28Å; F229-P231 HydrophobicContact CE1-CG 3.69Å; F229-P231 HydrophobicContact CZ-CB 3.92Å; F229-P231 HydrophobicContact CZ-CG 3.83Å; P231-L233 PolarHBondContact O-N 3Å; P231-W234 HydrophobicContact CG-CG 4.4Å; P231-W234 WeakPolarHBondContact O-CB 3.49Å; P231-W234 PolarHBondContact O-N 2.8Å; P231-W234 VanDerWaalsContact O-N 3.14Å
232	A	98.6	Very high	98.5	Very high	16 Å²	16	22.7 Å²	22.7	13%	0.132	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.1	142.6	175.1	0	0	0	0	0	111.6	V164 M165 D166 W234	V164-A232 WeakPolarHBondContact O-CB 3.36Å; M165-A232 WeakPolarHBondContact O-CA 3.36Å; D166-A232 PolarHBondContact OD1-N 2.85Å; A232-W234 PolarHBondContact O-N 3.43Å
233	L	98.5	Very high	98.5	Very high	80 Å²	80	24.1 Å²	24.1	42%	0.419	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.8	-4.9	-178.6	-43.4	176.2	0	0	0	115.9	Y162 D163 P183 P231 F235	Y162-L233 HydrophobicContact CD2-CD2 3.9Å; Y162-L233 HydrophobicContact CE2-CD2 3.85Å; D163-L233 PolarHBondContact O-N 3.45Å; P183-L233 HydrophobicContact CB-CB 4.07Å; P183-L233 HydrophobicContact CG-CB 3.95Å; P231-L233 PolarHBondContact O-N 3Å; L233-F235 PolarHBondContact O-N 3.11Å
234	W	98.8	Very high	98.4	Very high	13 Å²	13	21.3 Å²	21.3	5%	0.049	12%	0.118	C	C	.	.			trans	-70.9	124.6	171.3	-81.9	74.7	0	0	0	110.6	R28 P30 L180 Y181 R182 P183 Y218 I230 P231 A232 H236	R28-W234 PolarHBondContact O-NE1 3.12Å; P30-W234 VanDerWaalsContact CD-CE2 3.43Å; P30-W234 HydrophobicContact CG-CD2 3.58Å; P30-W234 HydrophobicContact CG-CE3 3.32Å; P30-W234 HydrophobicContact CG-CG 4.23Å; P30-W234 HydrophobicContact CG-CH2 3.95Å; P30-W234 HydrophobicContact CG-CZ2 4.22Å; P30-W234 HydrophobicContact CG-CZ3 3.51Å; L180-W234 HydrophobicContact CB-CE3 4.11Å; L180-W234 HydrophobicContact CB-CZ3 4.49Å; Y181-W234 VanDerWaalsContact O-CE3 3.28Å; R182-W234 HydrophobicContact CB-CH2 4.35Å; R182-W234 HydrophobicContact CB-CZ3 4.47Å; R182-W234 HydrophobicContact CG-CH2 3.36Å; R182-W234 HydrophobicContact CG-CZ2 3.86Å; R182-W234 HydrophobicContact CG-CZ3 3.74Å; P183-W234 HydrophobicContact CG-CG 4.37Å; Y218-W234 HydrophobicContact CD2-CH2 4.29Å; Y218-W234 AromaticContact CD2-CZ3 3.83Å; Y218-W234 HydrophobicContact CD2-CZ3 3.83Å; Y218-W234 HydrophobicContact CE2-CH2 4.07Å; Y218-W234 HydrophobicContact CE2-CZ3 4.04Å; Y218-W234 HydrophobicContact CG-CZ3 4.28Å; I230-W234 HydrophobicContact CG2-CB 3.88Å; P231-W234 HydrophobicContact CG-CG 4.4Å; P231-W234 WeakPolarHBondContact O-CB 3.49Å; P231-W234 PolarHBondContact O-N 2.8Å; P231-W234 VanDerWaalsContact O-N 3.14Å; A232-W234 PolarHBondContact O-N 3.43Å; W234-H236 PolarHBondContact O-ND1 3.36Å
235	F	98.9	Very high	98.4	Very high	6 Å²	6	18.2 Å²	18.2	3%	0.026	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	140.4	175.4	-57.7	-88	0	0	0	109.1	T160 H161 Y162 L180 Y181 A186 L189 L191 L233	T160-F235 HydrophobicContact CG2-CB 3.91Å; H161-F235 CarbonylContact O-C 3.58Å; H161-F235 VanDerWaalsContact O-CA 3.26Å; H161-F235 WeakPolarHBondContact O-CA 3.5Å; Y162-F235 AromaticContact CD1-CD1 3.83Å; Y162-F235 HydrophobicContact CD1-CD1 3.83Å; Y162-F235 AromaticContact CD1-CE1 3.3Å; Y162-F235 HydrophobicContact CD1-CE1 3.3Å; Y162-F235 HydrophobicContact CD1-CZ 4.04Å; Y162-F235 AromaticContact CE1-CE1 4Å; Y162-F235 HydrophobicContact CE1-CE1 4Å; Y162-F235 HydrophobicContact CG-CD1 4.29Å; Y162-F235 HydrophobicContact CG-CE1 4.04Å; L180-F235 CarbonylContact C-O 3.5Å; L180-F235 WeakPolarHBondContact CA-O 3.27Å; L180-F235 WeakPolarHBondContact CB-O 3.46Å; Y181-F235 HydrophobicContact CD2-CB 4.24Å; Y181-F235 PolarHBondContact N-O 3.41Å; Y181-F235 PolarHBondContact O-N 2.63Å; Y181-F235 VanDerWaalsContact O-N 3.09Å; A186-F235 HydrophobicContact CB-CE2 4.08Å; A186-F235 HydrophobicContact CB-CZ 3.87Å; L189-F235 HydrophobicContact CD1-CB 3.86Å; L189-F235 HydrophobicContact CD1-CD1 3.71Å; L189-F235 HydrophobicContact CD1-CD2 3.22Å; L189-F235 HydrophobicContact CD1-CE1 4.03Å; L189-F235 HydrophobicContact CD1-CE2 3.58Å; L189-F235 HydrophobicContact CD1-CG 3.3Å; L189-F235 HydrophobicContact CD1-CZ 3.99Å; L191-F235 HydrophobicContact CD1-CE1 3.7Å; L191-F235 HydrophobicContact CD1-CZ 3.65Å; L191-F235 HydrophobicContact CD2-CD1 4.09Å; L191-F235 HydrophobicContact CD2-CE1 3.43Å; L191-F235 VanDerWaalsContact CD2-CE1 3.43Å; L191-F235 HydrophobicContact CD2-CZ 4.1Å; L191-F235 HydrophobicContact CG-CE1 4.2Å; L191-F235 HydrophobicContact CG-CZ 4.48Å; L233-F235 PolarHBondContact O-N 3.11Å
236	H	98.8	Very high	98.5	Very high	5 Å²	5	17.5 Å²	17.5	2%	0.023	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	142.5	178.7	57.6	-79.9	0	0	0	112.3	T160 H161 D163 V178 A179 L180 W234	T160-H236 WeakPolarHBondContact CA-O 3.29Å; H161-H236 AromaticContact CE1-NE2 3.62Å; H161-H236 PolarHBondContact N-O 3.27Å; H161-H236 AromaticContact NE2-CE1 3.9Å; H161-H236 AromaticContact NE2-NE2 3.4Å; H161-H236 PolarHBondContact NE2-NE2 3.05Å; H161-H236 PolarHBondContact O-N 3.35Å; H161-H236 PolarHBondContact O-ND1 2.6Å; D163-H236 IonicContact OD2-CE1 3.74Å; D163-H236 PolarHBondContact OD2-CE1 3.27Å; D163-H236 VanDerWaalsContact OD2-CE1 3.28Å; D163-H236 IonicContact OD2-NE2 2.9Å; V178-H236 HydrophobicContact CG1-CB 4.15Å; A179-H236 CarbonylContact O-C 3.56Å; A179-H236 VanDerWaalsContact O-CA 3.25Å; A179-H236 WeakPolarHBondContact O-CA 3.29Å; L180-H236 HydrophobicContact CD2-CB 4Å; L180-H236 HydrophobicContact CG-CB 4.09Å; W234-H236 PolarHBondContact O-ND1 3.36Å
237	N	98.6	Very high	98.5	Very high	1 Å²	1	17 Å²	17	1%	0.005	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	131.6	175.9	-173.5	-77.5	0	0	0	108	Q157 L158 T160 V178 A179 I201	Q157-N237 PolarHBondContact NE2-OD1 2.99Å; L158-N237 PolarHBondContact O-ND2 3.36Å; L158-N237 PolarHBondContact O-OD1 3.08Å; T160-N237 PolarHBondContact N-ND2 2.87Å; T160-N237 WeakPolarHBondContact OG1-CB 3.29Å; T160-N237 PolarHBondContact OG1-ND2 3.15Å; T160-N237 VanDerWaalsContact OG1-ND2 3.1Å; V178-N237 VanDerWaalsContact CA-O 3.32Å; V178-N237 WeakPolarHBondContact CA-O 3.46Å; A179-N237 HydrophobicContact CB-CB 4.35Å; A179-N237 PolarHBondContact N-O 2.85Å; A179-N237 PolarHBondContact O-N 2.92Å; I201-N237 HydrophobicContact CD1-CB 3.75Å
238	T	98.3	Very high	98.5	Very high	17 Å²	17	17.2 Å²	17.2	10%	0.104	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	132.6	-178.3	62.4	0	0	0	0	111	Q157 L158 K176 R177 V178	Q157-T238 WeakPolarHBondContact CA-O 3.35Å; L158-T238 PolarHBondContact N-O 2.83Å; K176-T238 HydrophobicContact CD-CG2 4.24Å; R177-T238 WeakPolarHBondContact O-CA 3.33Å; V178-T238 HydrophobicContact CG1-CG2 4.31Å; V178-T238 HydrophobicContact CG2-CG2 4.25Å
239	L	98.5	Very high	98.5	Very high	33 Å²	33	17.3 Å²	17.3	17%	0.173	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	119.2	170.9	171.3	67.4	0	0	0	108.9	G155 Q157 K176 R177 L241	G155-L239 VanDerWaalsContact O-CD1 3.26Å; G155-L239 WeakPolarHBondContact O-CD1 3.36Å; Q157-L239 HydrophobicContact CB-CD1 3.98Å; Q157-L239 HydrophobicContact CG-CB 4.5Å; K176-L239 WeakPolarHBondContact CA-O 3.36Å; R177-L239 HydrophobicContact CB-CB 4.34Å; R177-L239 PolarHBondContact N-O 3.3Å; R177-L239 PolarHBondContact O-N 2.81Å; L239-L241 HydrophobicContact CD2-CD2 3.83Å; L239-L241 HydrophobicContact CG-CD2 4.06Å; L239-L241 PolarHBondContact O-N 3.49Å
240	A	98.3	Very high	98.5	Very high	2 Å²	2	17.4 Å²	17.4	2%	0.017	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	109.9	173	0	0	0	0	0	109.4	S152 S153 G155 L156 H242	S152-A240 VanDerWaalsContact OG-CB 3.3Å; S152-A240 WeakPolarHBondContact OG-CB 3.48Å; S153-A240 WeakPolarHBondContact O-CB 3.34Å; G155-A240 WeakPolarHBondContact CA-O 3.08Å; G155-A240 PolarHBondContact N-O 2.78Å; L156-A240 PolarHBondContact O-N 2.98Å; A240-H242 VanDerWaalsContact C-N 3.31Å
241	L	98.4	Very high	98.5	Very high	56 Å²	56	17.2 Å²	17.2	29%	0.293	9%	0.089	S	C	.	.	S	Bend	trans	-78.1	-23.9	-180	-60.2	178.5	0	0	0	111.8	C154 R175 R177 V221 L239	C154-L241 PolarHBondContact SG-O 3.44Å; R175-L241 HydrophobicContact CB-CB 4.09Å; R175-L241 HydrophobicContact CB-CD1 4.3Å; R175-L241 WeakPolarHBondContact O-CB 3.38Å; R175-L241 PolarHBondContact O-N 3.41Å; R177-L241 HydrophobicContact CB-CD1 4.26Å; R177-L241 HydrophobicContact CB-CD2 4.24Å; R177-L241 HydrophobicContact CB-CG 4.26Å; V221-L241 HydrophobicContact CG1-CD1 3.76Å; V221-L241 HydrophobicContact CG2-CD1 4.09Å; L239-L241 HydrophobicContact CD2-CD2 3.83Å; L239-L241 HydrophobicContact CG-CD2 4.06Å; L239-L241 PolarHBondContact O-N 3.49Å
242	H	98.3	Very high	98.4	Very high	91 Å²	91	19.8 Å²	19.8	42%	0.421	10%	0.098	S	C	.	.	S	Bend	trans	-135.5	173.9	171.4	-58.4	144.5	0	0	0	108.7	R175 A240 G244	R175-H242 PolarHBondContact O-N 2.82Å; A240-H242 VanDerWaalsContact C-N 3.31Å; H242-G244 PolarHBondContact O-N 2.81Å
243	F	98.3	Very high	98.4	Very high	29 Å²	29	22.3 Å²	22.3	13%	0.127	11%	0.107	C	C	.	.	S	Bend	trans	-50.2	130.8	158.1	166.5	-101.8	0	0	0	108.6	V47 V87 A90 A91 I151 G174 V245	V47-F243 HydrophobicContact CG2-CD1 4.22Å; V47-F243 HydrophobicContact CG2-CE1 3.69Å; V47-F243 HydrophobicContact CG2-CZ 4.13Å; V87-F243 HydrophobicContact CG1-CZ 4.18Å; A90-F243 HydrophobicContact CB-CD2 4.22Å; A90-F243 HydrophobicContact CB-CE2 3.92Å; A90-F243 WeakPolarHBondContact O-CD2 3.39Å; A91-F243 HydrophobicContact CB-CB 4.47Å; A91-F243 HydrophobicContact CB-CD1 4.15Å; A91-F243 HydrophobicContact CB-CD2 3.86Å; A91-F243 HydrophobicContact CB-CE1 4.38Å; A91-F243 HydrophobicContact CB-CE2 4.08Å; A91-F243 HydrophobicContact CB-CG 3.88Å; A91-F243 HydrophobicContact CB-CZ 4.33Å; I151-F243 HydrophobicContact CG2-CE2 3.61Å; I151-F243 HydrophobicContact CG2-CZ 4.08Å; G174-F243 WeakPolarHBondContact CA-O 3.38Å; F243-V245 HydrophobicContact CE1-CG2 3.98Å; F243-V245 HydrophobicContact CZ-CG2 3.78Å
244	G	96.6	Very high	98.4	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.01	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	145	-171.4	0	0	0	0	0	114	I151 S152 T173 H242	I151-G244 WeakPolarHBondContact CA-O 3.35Å; S152-G244 PolarHBondContact N-O 3.2Å; S152-G244 VanDerWaalsContact N-O 3.1Å; S152-G244 PolarHBondContact O-N 3.46Å; S152-G244 VanDerWaalsContact O-N 3.14Å; T173-G244 CarbonylContact O-C 3.49Å; T173-G244 WeakPolarHBondContact O-CA 3.48Å; H242-G244 PolarHBondContact O-N 2.81Å
245	V	98.6	Very high	98.3	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	129.6	177.1	-177.4	0	0	0	0	107.9	W45 L50 F149 R150 I151 V172 T173 F243	W45-V245 HydrophobicContact CE3-CG1 3.61Å; W45-V245 HydrophobicContact CZ3-CG1 3.9Å; L50-V245 HydrophobicContact CD1-CG2 3.71Å; F149-V245 HydrophobicContact CD2-CG1 4.25Å; F149-V245 HydrophobicContact CE2-CG1 3.33Å; F149-V245 HydrophobicContact CZ-CG1 3.86Å; R150-V245 CarbonylContact O-C 3.58Å; R150-V245 WeakPolarHBondContact O-CA 3.3Å; I151-V245 HydrophobicContact CD1-CG1 4.39Å; I151-V245 HydrophobicContact CD1-CG2 4.32Å; I151-V245 HydrophobicContact CG1-CB 4.48Å; I151-V245 HydrophobicContact CG1-CG1 4.1Å; I151-V245 HydrophobicContact CG1-CG2 4.11Å; I151-V245 HydrophobicContact CG2-CG2 4.39Å; V172-V245 PolarHBondContact N-O 3.22Å; T173-V245 PolarHBondContact N-O 2.81Å; T173-V245 PolarHBondContact O-N 2.91Å; F243-V245 HydrophobicContact CE1-CG2 3.98Å; F243-V245 HydrophobicContact CZ-CG2 3.78Å
246	G	98.4	Very high	98.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	161.7	175.7	0	0	0	0	0	112.1	R150 A170	R150-G246 PolarHBondContact N-O 3.26Å; R150-G246 PolarHBondContact O-N 2.86Å; A170-G246 CarbonylContact O-C 3.55Å; A170-G246 WeakPolarHBondContact O-CA 3.42Å
247	V	98.8	Very high	98.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	121	176.2	-175.8	0	0	0	0	107.8	W45 L122 F133 V148 F149 A170 V172 V249	W45-V247 HydrophobicContact CH2-CG2 3.76Å; W45-V247 HydrophobicContact CZ3-CG2 3.74Å; L122-V247 HydrophobicContact CD2-CG1 4.26Å; L122-V247 HydrophobicContact CD2-CG2 4.23Å; F133-V247 HydrophobicContact CD1-CG1 4.21Å; F133-V247 HydrophobicContact CD2-CB 4.41Å; F133-V247 HydrophobicContact CD2-CG2 4.11Å; F133-V247 HydrophobicContact CE1-CB 4.18Å; F133-V247 HydrophobicContact CE1-CG1 3.71Å; F133-V247 HydrophobicContact CE2-CB 3.93Å; F133-V247 HydrophobicContact CE2-CG1 4.38Å; F133-V247 HydrophobicContact CE2-CG2 4.1Å; F133-V247 HydrophobicContact CG-CG2 4.39Å; F133-V247 HydrophobicContact CZ-CB 3.8Å; F133-V247 HydrophobicContact CZ-CG1 3.81Å; F133-V247 HydrophobicContact CZ-CG2 4.37Å; V148-V247 WeakPolarHBondContact O-CA 3.23Å; F149-V247 HydrophobicContact CD2-CG2 4.05Å; F149-V247 HydrophobicContact CE2-CG2 4.31Å; A170-V247 HydrophobicContact CB-CB 4.43Å; A170-V247 WeakPolarHBondContact CB-O 3.47Å; A170-V247 PolarHBondContact N-O 2.95Å; A170-V247 PolarHBondContact O-N 3.33Å; V172-V247 HydrophobicContact CG2-CG2 4.47Å; V247-V249 HydrophobicContact CG1-CG2 4.23Å
248	N	98.5	Very high	98	Very high	4 Å²	4	34.9 Å²	34.9	2%	0.021	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	131.8	168	-74.8	103.5	0	0	0	109.5	S147 V148 R150 N167 L168 L169 F250	S147-N248 CarbonylContact C-O 3.58Å; S147-N248 VanDerWaalsContact CA-O 3.29Å; S147-N248 WeakPolarHBondContact CA-O 3.35Å; V148-N248 HydrophobicContact CB-CB 4.26Å; V148-N248 PolarHBondContact N-O 3.17Å; V148-N248 PolarHBondContact O-N 3.37Å; R150-N248 VanDerWaalsContact CG-OD1 3.23Å; R150-N248 WeakPolarHBondContact CG-OD1 3.43Å; R150-N248 PolarHBondContact NE-OD1 2.89Å; N167-N248 VanDerWaalsContact CG-ND2 3.33Å; N167-N248 PolarHBondContact ND2-ND2 2.64Å; N167-N248 WeakPolarHBondContact OD1-CB 3.39Å; N167-N248 PolarHBondContact OD1-ND2 3.25Å; L168-N248 CarbonylContact O-C 3.19Å; L168-N248 VanDerWaalsContact O-CA 3.27Å; L168-N248 WeakPolarHBondContact O-CA 3.48Å; L169-N248 WeakPolarHBondContact CB-ND2 3.4Å; L169-N248 WeakPolarHBondContact CD1-ND2 3.49Å; N248-F250 HydrophobicContact CB-CD2 4.31Å; N248-F250 HydrophobicContact CB-CE2 3.71Å; N248-F250 HydrophobicContact CB-CZ 4.18Å
249	V	98.6	Very high	98	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.012	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	115.4	172.2	-177.8	0	0	0	0	108.7	F133 T135 F139 F144 N167 L168 V247	F133-V249 HydrophobicContact CE1-CG2 3.98Å; F133-V249 HydrophobicContact CZ-CG2 4.22Å; T135-V249 HydrophobicContact CG2-CG1 3.92Å; T135-V249 HydrophobicContact CG2-CG2 4.21Å; F139-V249 HydrophobicContact CE1-CG1 3.88Å; F139-V249 HydrophobicContact CZ-CG1 3.56Å; F144-V249 HydrophobicContact CD2-CG1 4.26Å; F144-V249 HydrophobicContact CE2-CG1 4.11Å; N167-V249 CarbonylContact C-O 3.5Å; N167-V249 WeakPolarHBondContact CA-O 3.41Å; L168-V249 HydrophobicContact CB-CB 4.4Å; L168-V249 PolarHBondContact N-O 3Å; L168-V249 PolarHBondContact O-N 2.6Å; V247-V249 HydrophobicContact CG1-CG2 4.23Å
250	F	98.7	Very high	97.9	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.009	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	137.6	-179.5	-67.8	-78.5	0	0	0	111.5	F145 S146 V148 D163 M165 D166 N167 N248	F145-F250 HydrophobicContact CB-CB 4.44Å; F145-F250 WeakPolarHBondContact CB-O 3.29Å; F145-F250 HydrophobicContact CD1-CB 3.92Å; F145-F250 PolarHBondContact N-O 2.9Å; S146-F250 PolarHBondContact N-O 3.1Å; S146-F250 PolarHBondContact O-N 3.49Å; V148-F250 HydrophobicContact CB-CE2 4.48Å; V148-F250 HydrophobicContact CG2-CD2 3.96Å; V148-F250 HydrophobicContact CG2-CE2 3.8Å; D163-F250 HydrophobicContact CB-CE1 3.88Å; D163-F250 VanDerWaalsContact OD2-CE1 3.27Å; D163-F250 WeakPolarHBondContact OD2-CE1 3.42Å; D163-F250 WeakPolarHBondContact OD2-CZ 3.15Å; M165-F250 HydrophobicContact CB-CB 4.06Å; M165-F250 HydrophobicContact CB-CD1 3.95Å; M165-F250 HydrophobicContact CB-CG 4.44Å; D166-F250 VanDerWaalsContact O-CA 3.24Å; D166-F250 WeakPolarHBondContact O-CA 3.21Å; N167-F250 HydrophobicContact CB-CD1 3.62Å; N167-F250 HydrophobicContact CB-CE1 3.48Å; N167-F250 VanDerWaalsContact CB-CE1 3.48Å; N167-F250 HydrophobicContact CB-CZ 4.36Å; N167-F250 VanDerWaalsContact ND2-CE1 3.33Å; N167-F250 WeakPolarHBondContact ND2-CE1 3.36Å; N167-F250 WeakPolarHBondContact ND2-CZ 3.31Å; N248-F250 HydrophobicContact CB-CD2 4.31Å; N248-F250 HydrophobicContact CB-CE2 3.71Å; N248-F250 HydrophobicContact CB-CZ 4.18Å
251	W	98.6	Very high	97.6	Very high	1 Å²	1	45.1 Å²	45.1	0%	0.004	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	158.9	173.8	75.1	100.5	0	0	0	112.7	F20 Y25 F139 R143 M165 D166 N167 L168 F229 H253	F20-W251 HydrophobicContact CZ-CZ2 4.36Å; Y25-W251 HydrophobicContact CD2-CZ2 4.3Å; Y25-W251 AromaticContact CE2-CZ2 3.69Å; Y25-W251 HydrophobicContact CE2-CZ2 3.69Å; Y25-W251 AromaticContact CE2-NE1 3.99Å; Y25-W251 AromaticContact CZ-NE1 3.99Å; Y25-W251 PolarHBondContact OH-NE1 3.36Å; F139-W251 HydrophobicContact CB-CB 4.49Å; F139-W251 HydrophobicContact CB-CD2 4.21Å; F139-W251 HydrophobicContact CB-CG 3.84Å; F139-W251 HydrophobicContact CD1-CB 4.23Å; F139-W251 AromaticContact CD1-CD2 3.55Å; F139-W251 HydrophobicContact CD1-CD2 3.55Å; F139-W251 AromaticContact CD1-CE2 3.91Å; F139-W251 AromaticContact CD1-CE3 3.81Å; F139-W251 HydrophobicContact CD1-CE3 3.81Å; F139-W251 AromaticContact CD1-CG 3.78Å; F139-W251 HydrophobicContact CD1-CG 3.78Å; F139-W251 HydrophobicContact CD1-CZ2 4.4Å; F139-W251 HydrophobicContact CD1-CZ3 4.38Å; F139-W251 HydrophobicContact CD2-CB 3.76Å; F139-W251 AromaticContact CD2-CG 3.98Å; F139-W251 HydrophobicContact CD2-CG 3.98Å; F139-W251 HydrophobicContact CE1-CB 4.46Å; F139-W251 HydrophobicContact CE1-CD2 4.09Å; F139-W251 AromaticContact CE1-CE3 3.91Å; F139-W251 HydrophobicContact CE1-CE3 3.91Å; F139-W251 HydrophobicContact CE1-CG 4.37Å; F139-W251 HydrophobicContact CE1-CZ3 4.49Å; F139-W251 HydrophobicContact CE2-CB 4.03Å; F139-W251 HydrophobicContact CG-CB 3.89Å; F139-W251 AromaticContact CG-CD1 3.81Å; F139-W251 AromaticContact CG-CD2 3.87Å; F139-W251 HydrophobicContact CG-CD2 3.87Å; F139-W251 AromaticContact CG-CG 3.58Å; F139-W251 HydrophobicContact CG-CG 3.58Å; F139-W251 HydrophobicContact CZ-CB 4.37Å; R143-W251 HydrophobicContact CB-CB 4.32Å; R143-W251 CarbonylContact O-C 3.59Å; R143-W251 VanDerWaalsContact O-CA 3.3Å; R143-W251 WeakPolarHBondContact O-CA 3.27Å; R143-W251 WeakPolarHBondContact O-CB 3.38Å; M165-W251 WeakPolarHBondContact CB-O 3.45Å; D166-W251 HydrophobicContact CB-CD2 3.64Å; D166-W251 HydrophobicContact CB-CE3 3.9Å; D166-W251 HydrophobicContact CB-CG 4.33Å; D166-W251 HydrophobicContact CB-CH2 3.67Å; D166-W251 HydrophobicContact CB-CZ2 3.41Å; D166-W251 VanDerWaalsContact CB-CZ2 3.41Å; D166-W251 HydrophobicContact CB-CZ3 3.87Å; D166-W251 PolarHBondContact N-O 3.43Å; D166-W251 VanDerWaalsContact O-CE3 3.29Å; D166-W251 PolarHBondContact O-N 2.98Å; N167-W251 VanDerWaalsContact C-CZ3 3.48Å; L168-W251 HydrophobicContact CB-CZ3 4.29Å; L168-W251 HydrophobicContact CD1-CH2 4.44Å; L168-W251 HydrophobicContact CD1-CZ3 4.3Å; L168-W251 HydrophobicContact CD2-CH2 3.85Å; L168-W251 HydrophobicContact CD2-CZ3 4.18Å; L168-W251 HydrophobicContact CG-CH2 3.72Å; L168-W251 HydrophobicContact CG-CZ3 3.57Å; F229-W251 AromaticContact CD2-CH2 3.76Å; F229-W251 HydrophobicContact CD2-CH2 3.76Å; F229-W251 HydrophobicContact CD2-CZ2 4.32Å; F229-W251 AromaticContact CE2-CH2 3.67Å; F229-W251 HydrophobicContact CE2-CH2 3.67Å; F229-W251 AromaticContact CE2-CZ2 3.83Å; F229-W251 HydrophobicContact CE2-CZ2 3.83Å; W251-H253 PolarHBondContact O-N 3.02Å
252	R	98.4	Very high	97.4	Very high	56 Å²	56	50 Å²	50	21%	0.211	25%	0.248	C	C	.	.			trans	-76.1	118.2	179.6	-69.6	-178.7	-79.5	-88	-7.1	111.1	D142 R143 F144 M165 Y259	D142-R252 PolarHBondContact O-NH2 2.8Å; R143-R252 PolarHBondContact NH1-O 3.3Å; R143-R252 PolarHBondContact O-N 3.15Å; F144-R252 PolarHBondContact O-NH2 3.31Å; M165-R252 HydrophobicContact CE-CG 3.95Å; M165-R252 HydrophobicContact SD-CB 4.35Å; M165-R252 HydrophobicContact SD-CG 3.66Å; R252-Y259 HydrophobicContact CB-CD2 4.48Å; R252-Y259 HydrophobicContact CB-CE2 3.73Å; R252-Y259 HydrophobicContact CG-CD2 3.91Å; R252-Y259 HydrophobicContact CG-CE2 3.6Å
253	H	97.9	Very high	97.2	Very high	70 Å²	70	46.4 Å²	46.4	32%	0.324	23%	0.232	S	C	.	.	S	Bend	trans	-75.4	-44.2	167.1	-179.9	57.9	0	0	0	111.3	Y25 R143 D166 W251 Y259	Y25-H253 AromaticContact CZ-ND1 3.74Å; Y25-H253 PolarHBondContact OH-ND1 3.19Å; R143-H253 PolarHBondContact NH1-O 3.39Å; D166-H253 WeakPolarHBondContact OD2-CB 3.47Å; D166-H253 IonicContact OD2-CG 2.7Å; D166-H253 IonicContact OD2-ND1 3.54Å; W251-H253 PolarHBondContact O-N 3.02Å; H253-Y259 PolarHBondContact N-OH 2.86Å; H253-Y259 VanDerWaalsContact N-OH 3.15Å
254	L	98	Very high	96.9	Very high	71 Å²	71	45.7 Å²	45.7	37%	0.372	23%	0.231	S	C	.	.	S	Bend	trans	-86.7	168	179.1	-57.4	177.5	0	0	0	111.2	A258 Y259	L254-A258 HydrophobicContact CB-CB 3.92Å; L254-A258 HydrophobicContact CD1-CB 4.13Å; L254-Y259 HydrophobicContact CB-CE2 3.71Å; L254-Y259 PolarHBondContact N-OH 2.81Å; L254-Y259 WeakPolarHBondContact O-CE2 3.42Å
255	P	97.4	Very high	96.7	Very high	75 Å²	75	49.5 Å²	49.5	49%	0.487	25%	0.245	S	C	.	.			trans	-56.5	149.1	168	-25.8	36.4	0	0	0	112.4	E257 A258 Y259	P255-E257 HydrophobicContact CB-CG 4.33Å; P255-E257 WeakPolarHBondContact CB-OE1 3.47Å; P255-E257 VanDerWaalsContact CB-OE2 3.25Å; P255-E257 WeakPolarHBondContact CB-OE2 3.4Å; P255-E257 PolarHBondContact O-N 2.95Å; P255-A258 VanDerWaalsContact O-CB 3.27Å; P255-A258 WeakPolarHBondContact O-CB 3.46Å; P255-A258 PolarHBondContact O-N 3.33Å; P255-Y259 WeakPolarHBondContact O-CD2 3.09Å
256	A	96.1	Very high	96.4	Very high	53 Å²	53	49.6 Å²	49.6	44%	0.438	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-59.9	-32.1	-172.5	0	0	0	0	0	113.8	A258 Y259	A256-A258 PolarHBondContact O-N 3.23Å; A256-Y259 PolarHBondContact O-N 2.93Å
257	E	96.7	Very high	96.1	Very high	144 Å²	144	51.5 Å²	51.5	67%	0.673	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-67.3	-16.2	177	65.5	-87.1	-159	0	0	114.3	P255 Y259	P255-E257 HydrophobicContact CB-CG 4.33Å; P255-E257 WeakPolarHBondContact CB-OE1 3.47Å; P255-E257 VanDerWaalsContact CB-OE2 3.25Å; P255-E257 WeakPolarHBondContact CB-OE2 3.4Å; P255-E257 PolarHBondContact O-N 2.95Å; E257-Y259 VanDerWaalsContact C-N 3.25Å; E257-Y259 PolarHBondContact O-N 2.95Å
258	A	97.7	Very high	96	Very high	26 Å²	26	55.8 Å²	55.8	22%	0.215	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-73	-20.2	175.7	0	0	0	0	0	112.4	L254 P255 A256 P270 V271	L254-A258 HydrophobicContact CB-CB 3.92Å; L254-A258 HydrophobicContact CD1-CB 4.13Å; P255-A258 VanDerWaalsContact O-CB 3.27Å; P255-A258 WeakPolarHBondContact O-CB 3.46Å; P255-A258 PolarHBondContact O-N 3.33Å; A256-A258 PolarHBondContact O-N 3.23Å; A258-P270 CarbonylContact O-C 3.43Å; A258-P270 WeakPolarHBondContact O-CA 3.04Å; A258-P270 WeakPolarHBondContact O-CB 3.24Å; A258-V271 PolarHBondContact O-N 3.34Å
259	Y	97.5	Very high	96	Very high	17 Å²	17	58.2 Å²	58.2	7%	0.067	29%	0.288	C	S	.	.	S	Bend	trans	-99.8	152.5	-173.4	-59.7	-86.7	0	0	0	112.5	V164 M165 R252 H253 L254 P255 A256 E257 K261	V164-Y259 HydrophobicContact CG1-CD1 4.24Å; V164-Y259 HydrophobicContact CG1-CE1 3.95Å; M165-Y259 HydrophobicContact CE-CD1 3.28Å; M165-Y259 HydrophobicContact CE-CD2 4.33Å; M165-Y259 HydrophobicContact CE-CE1 3.53Å; M165-Y259 HydrophobicContact CE-CG 3.71Å; M165-Y259 HydrophobicContact SD-CD1 3.82Å; M165-Y259 HydrophobicContact SD-CE1 3.35Å; M165-Y259 WeakPolarHBondContact SD-CE1 3.47Å; M165-Y259 HydrophobicContact SD-CE2 4.37Å; M165-Y259 HydrophobicContact SD-CG 4.49Å; R252-Y259 HydrophobicContact CB-CD2 4.48Å; R252-Y259 HydrophobicContact CB-CE2 3.73Å; R252-Y259 HydrophobicContact CG-CD2 3.91Å; R252-Y259 HydrophobicContact CG-CE2 3.6Å; H253-Y259 PolarHBondContact N-OH 2.86Å; H253-Y259 VanDerWaalsContact N-OH 3.15Å; L254-Y259 HydrophobicContact CB-CE2 3.71Å; L254-Y259 PolarHBondContact N-OH 2.81Å; L254-Y259 WeakPolarHBondContact O-CE2 3.42Å; P255-Y259 WeakPolarHBondContact O-CD2 3.09Å; A256-Y259 PolarHBondContact O-N 2.93Å; E257-Y259 VanDerWaalsContact C-N 3.25Å; E257-Y259 PolarHBondContact O-N 2.95Å; Y259-K261 PolarHBondContact O-N 3Å
260	D	95.7	Very high	95.9	Very high	52 Å²	52	59.3 Å²	59.3	28%	0.278	30%	0.295	S	S	.	.			trans	-70	116.8	171.9	-177.3	-3.4	0	0	0	110	K262 D263 K268	D260-K262 PolarHBondContact O-N 3.34Å; D260-K262 WeakPolarHBondContact OD1-CB 3.37Å; D260-K262 PolarHBondContact OD1-N 3.09Å; D260-D263 HydrophobicContact CB-CB 4.31Å; D260-D263 WeakPolarHBondContact O-CB 3.39Å; D260-D263 PolarHBondContact O-N 2.87Å; D260-K268 HydrophobicContact CB-CB 4.34Å; D260-K268 HydrophobicContact CB-CD 4.08Å; D260-K268 WeakPolarHBondContact OD2-CD 3.46Å; D260-K268 IonicContact OD2-NZ 3.59Å; D260-K268 PolarHBondContact OD2-NZ 3.49Å
261	K	93.4	Very high	95.9	Very high	197 Å²	197	62.7 Å²	62.7	86%	0.857	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-15.4	178	-61.6	-176.3	180	-176.8	0	113.7	Y259	Y259-K261 PolarHBondContact O-N 3Å
262	K	93.3	Very high	95.9	Very high	159 Å²	159	65.8 Å²	65.8	69%	0.691	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	20.4	177.4	-56.9	-179.5	-178.4	178.1	0	112.1	D260 P264 K268	D260-K262 PolarHBondContact O-N 3.34Å; D260-K262 WeakPolarHBondContact OD1-CB 3.37Å; D260-K262 PolarHBondContact OD1-N 3.09Å; K262-P264 VanDerWaalsContact O-CD 3.24Å; K262-P264 WeakPolarHBondContact O-CD 3.19Å; K262-K268 PolarHBondContact O-NZ 3.09Å
263	D	94.3	Very high	95.8	Very high	16 Å²	16	65 Å²	65	9%	0.086	35%	0.347	C	S	.	.			trans	-101.1	100	173.7	-171.6	7.2	0	0	0	110.8	F145 D260 Y265 G266 N267 K268	F145-D263 WeakPolarHBondContact CE2-O 3.46Å; F145-D263 VanDerWaalsContact CZ-O 3.27Å; F145-D263 WeakPolarHBondContact CZ-O 3.34Å; D260-D263 HydrophobicContact CB-CB 4.31Å; D260-D263 WeakPolarHBondContact O-CB 3.39Å; D260-D263 PolarHBondContact O-N 2.87Å; D263-Y265 VanDerWaalsContact C-N 3.29Å; D263-Y265 PolarHBondContact OD1-N 2.98Å; D263-G266 PolarHBondContact OD1-N 2.9Å; D263-G266 WeakPolarHBondContact OD2-CA 3.42Å; D263-G266 PolarHBondContact OD2-N 3.31Å; D263-G266 VanDerWaalsContact OD2-N 3.09Å; D263-N267 PolarHBondContact OD2-N 2.81Å; D263-K268 HydrophobicContact CB-CB 4.02Å; D263-K268 HydrophobicContact CB-CD 3.94Å; D263-K268 HydrophobicContact CB-CG 4.03Å; D263-K268 WeakPolarHBondContact OD2-CB 3.35Å; D263-K268 PolarHBondContact OD2-N 3Å
264	P	92.6	Very high	95.8	Very high	14 Å²	14	63.8 Å²	63.8	9%	0.091	35%	0.349	C	S	.	.	S	Bend	trans	-82.4	-6.6	172.9	31.6	-31.4	0	0	0	112.8	V115 P119 K262	V115-P264 WeakPolarHBondContact O-CG 3.49Å; P119-P264 WeakPolarHBondContact CA-O 3.5Å; K262-P264 VanDerWaalsContact O-CD 3.24Å; K262-P264 WeakPolarHBondContact O-CD 3.19Å
265	Y	92.2	Very high	95.8	Very high	81 Å²	81	68.6 Å²	68.6	32%	0.318	36%	0.362	S	S	.	.	S	Bend	trans	-99.9	-35.7	-175.6	-75.9	-93.7	0	0	0	113.1	R109 L111 V115 D263 N267	R109-Y265 PolarHBondContact NH2-O 3.45Å; L111-Y265 HydrophobicContact CD2-CE1 3.78Å; L111-Y265 WeakPolarHBondContact CD2-OH 3.46Å; V115-Y265 HydrophobicContact CG1-CE2 4.38Å; V115-Y265 WeakPolarHBondContact CG1-OH 3.45Å; D263-Y265 VanDerWaalsContact C-N 3.29Å; D263-Y265 PolarHBondContact OD1-N 2.98Å; Y265-N267 PolarHBondContact O-OD1 3.48Å
266	G	91.6	Very high	95.9	Very high	1 Å²	1	67.9 Å²	67.9	1%	0.01	36%	0.362	C	S	.	.	S	Bend	trans	90.8	18.4	-174.1	0	0	0	0	0	113.6	V164 D263	V164-G266 WeakPolarHBondContact CB-O 3.27Å; V164-G266 PolarHBondContact N-O 3.05Å; D263-G266 PolarHBondContact OD1-N 2.9Å; D263-G266 WeakPolarHBondContact OD2-CA 3.42Å; D263-G266 PolarHBondContact OD2-N 3.31Å; D263-G266 VanDerWaalsContact OD2-N 3.09Å
267	N	93	Very high	95.9	Very high	41 Å²	41	69.4 Å²	69.4	22%	0.219	36%	0.363	C	S	.	.			trans	-111	-11.9	-173.4	-62	36.2	0	0	0	112.4	D163 D194 D263 Y265	D163-N267 PolarHBondContact OD1-OD1 3.47Å; D194-N267 PolarHBondContact OD2-ND2 3.04Å; D263-N267 PolarHBondContact OD2-N 2.81Å; Y265-N267 PolarHBondContact O-OD1 3.48Å
268	K	96.1	Very high	95.9	Very high	90 Å²	90	68 Å²	68	39%	0.391	36%	0.356	S	S	.	.	S	Bend	trans	-76.2	138.3	177.4	-69.1	-169.9	-177.5	166.4	0	110.2	V164 D260 K262 D263	V164-K268 WeakPolarHBondContact CG2-O 3.38Å; D260-K268 HydrophobicContact CB-CB 4.34Å; D260-K268 HydrophobicContact CB-CD 4.08Å; D260-K268 WeakPolarHBondContact OD2-CD 3.46Å; D260-K268 IonicContact OD2-NZ 3.59Å; D260-K268 PolarHBondContact OD2-NZ 3.49Å; K262-K268 PolarHBondContact O-NZ 3.09Å; D263-K268 HydrophobicContact CB-CB 4.02Å; D263-K268 HydrophobicContact CB-CD 3.94Å; D263-K268 HydrophobicContact CB-CG 4.03Å; D263-K268 WeakPolarHBondContact OD2-CB 3.35Å; D263-K268 PolarHBondContact OD2-N 3Å
269	D	97.4	Very high	96	Very high	54 Å²	54	69.9 Å²	69.9	29%	0.289	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-52.7	146.2	175.9	-64.2	-41.3	0	0	0	112	V271 A273 A274	D269-V271 PolarHBondContact O-N 3.32Å; D269-A273 HydrophobicContact CB-CB 4.19Å; D269-A274 HydrophobicContact CB-CB 4.25Å
270	P	98	Very high	95.9	Very high	25 Å²	25	71.7 Å²	71.7	16%	0.162	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-52.6	144.8	168.4	-25	35.8	0	0	0	110.7	V164 A258 A272 A273 A274	V164-P270 HydrophobicContact CG1-CG 3.61Å; A258-P270 CarbonylContact O-C 3.43Å; A258-P270 WeakPolarHBondContact O-CA 3.04Å; A258-P270 WeakPolarHBondContact O-CB 3.24Å; P270-A272 PolarHBondContact O-N 3.17Å; P270-A273 WeakPolarHBondContact O-CA 3.3Å; P270-A273 WeakPolarHBondContact O-CB 3.26Å; P270-A273 PolarHBondContact O-N 3Å; P270-A274 PolarHBondContact O-N 2.95Å
271	V	98.3	Very high	96	Very high	74 Å²	74	74.9 Å²	74.9	45%	0.448	39%	0.389	S	S	.	.	H	α-helix	trans	-52.2	-38.6	-172.5	176.3	0	0	0	0	112	A258 D269 R275	A258-V271 PolarHBondContact O-N 3.34Å; D269-V271 PolarHBondContact O-N 3.32Å; V271-R275 WeakPolarHBondContact O-CB 3.38Å; V271-R275 PolarHBondContact O-N 2.87Å
272	A	98.1	Very high	96.2	Very high	65 Å²	65	71.5 Å²	71.5	54%	0.537	37%	0.371	S	S	.	.	H	α-helix	trans	-65.7	-42.2	177.3	0	0	0	0	0	112.8	P270 A276	P270-A272 PolarHBondContact O-N 3.17Å; A272-A276 WeakPolarHBondContact O-CB 3.38Å; A272-A276 PolarHBondContact O-N 2.89Å
273	A	97.7	Very high	96.4	Very high	40 Å²	40	65.9 Å²	65.9	33%	0.331	35%	0.354	S	S	.	.	H	α-helix	trans	-67.7	-47.5	177.9	0	0	0	0	0	110.7	D269 P270 R275 A276 L277	D269-A273 HydrophobicContact CB-CB 4.19Å; P270-A273 WeakPolarHBondContact O-CA 3.3Å; P270-A273 WeakPolarHBondContact O-CB 3.26Å; P270-A273 PolarHBondContact O-N 3Å; A273-R275 VanDerWaalsContact C-N 3.31Å; A273-R275 PolarHBondContact O-N 3.02Å; A273-A276 WeakPolarHBondContact O-CB 3.48Å; A273-A276 PolarHBondContact O-N 2.77Å; A273-L277 WeakPolarHBondContact O-CG 3.27Å; A273-L277 PolarHBondContact O-N 3.44Å
274	A	97.4	Very high	96.6	Very high	45 Å²	45	68.3 Å²	68.3	37%	0.372	37%	0.366	S	S	.	.	H	α-helix	trans	-55.6	-44.7	176.1	0	0	0	0	0	112.2	D269 P270 Q278	D269-A274 HydrophobicContact CB-CB 4.25Å; P270-A274 PolarHBondContact O-N 2.95Å; A274-Q278 WeakPolarHBondContact O-CB 3.46Å; A274-Q278 PolarHBondContact O-N 3.5Å
275	R	98.1	Very high	96.8	Very high	172 Å²	172	74 Å²	74	65%	0.649	39%	0.392	S	S	*	.	H	α-helix	trans	-66.3	-38.1	176.4	-173.1	-178.2	68.7	179.1	-0.5	112.6	V271 A273 T279	V271-R275 WeakPolarHBondContact O-CB 3.38Å; V271-R275 PolarHBondContact O-N 2.87Å; A273-R275 VanDerWaalsContact C-N 3.31Å; A273-R275 PolarHBondContact O-N 3.02Å; R275-T279 WeakPolarHBondContact O-CB 3.25Å; R275-T279 PolarHBondContact O-N 3.34Å; R275-T279 PolarHBondContact O-OG1 3.18Å
276	A	98	Very high	97.1	Very high	59 Å²	59	74.2 Å²	74.2	49%	0.488	40%	0.401	S	S	.	.	H	α-helix	trans	-65.2	-46.6	177.6	0	0	0	0	0	110.9	A272 A273 T279 L280	A272-A276 WeakPolarHBondContact O-CB 3.38Å; A272-A276 PolarHBondContact O-N 2.89Å; A273-A276 WeakPolarHBondContact O-CB 3.48Å; A273-A276 PolarHBondContact O-N 2.77Å; A276-T279 WeakPolarHBondContact O-CB 3.46Å; A276-T279 PolarHBondContact O-N 3Å; A276-T279 VanDerWaalsContact O-N 3.1Å; A276-L280 PolarHBondContact O-N 3.42Å
277	L	96.9	Very high	97.3	Very high	86 Å²	86	75.2 Å²	75.2	45%	0.45	41%	0.406	S	S	.	.	H	α-helix	trans	-60.8	-44.5	175.4	-68.9	172.7	0	0	0	111.6	A273 T279 L280 E281	A273-L277 WeakPolarHBondContact O-CG 3.27Å; A273-L277 PolarHBondContact O-N 3.44Å; L277-T279 PolarHBondContact O-N 3.15Å; L277-L280 WeakPolarHBondContact O-CB 3.39Å; L277-L280 PolarHBondContact O-N 3.25Å; L277-L280 VanDerWaalsContact O-N 3.12Å; L277-E281 PolarHBondContact O-N 2.99Å
278	Q	97.4	Very high	97.6	Very high	114 Å²	114	77.3 Å²	77.3	53%	0.533	42%	0.418	S	S	.	.	H	α-helix	trans	-60.2	-35.1	174.2	-166.7	-166.3	39.1	0	0	112.7	A274 R282	A274-Q278 WeakPolarHBondContact O-CB 3.46Å; A274-Q278 PolarHBondContact O-N 3.5Å; Q278-R282 PolarHBondContact O-N 2.82Å
279	T	98.1	Very high	97.6	Very high	66 Å²	66	80.6 Å²	80.6	41%	0.405	43%	0.434	S	S	.	.	H	α-helix	trans	-73	-36.3	177.3	-55.1	0	0	0	0	111.6	R275 A276 L277 R282 A283	R275-T279 WeakPolarHBondContact O-CB 3.25Å; R275-T279 PolarHBondContact O-N 3.34Å; R275-T279 PolarHBondContact O-OG1 3.18Å; A276-T279 WeakPolarHBondContact O-CB 3.46Å; A276-T279 PolarHBondContact O-N 3Å; A276-T279 VanDerWaalsContact O-N 3.1Å; L277-T279 PolarHBondContact O-N 3.15Å; T279-R282 PolarHBondContact O-N 2.98Å; T279-R282 PolarHBondContact OG1-NH2 2.9Å; T279-A283 PolarHBondContact O-N 2.81Å
280	L	97.4	Very high	97.7	Very high	54 Å²	54	81.1 Å²	81.1	28%	0.283	44%	0.437	S	S	.	.	H	α-helix	trans	-59.8	-48	172.8	177	62.6	0	0	0	110.7	A276 L277 R282 A283 L284 M302	A276-L280 PolarHBondContact O-N 3.42Å; L277-L280 WeakPolarHBondContact O-CB 3.39Å; L277-L280 PolarHBondContact O-N 3.25Å; L277-L280 VanDerWaalsContact O-N 3.12Å; L280-R282 VanDerWaalsContact C-N 3.29Å; L280-R282 PolarHBondContact O-N 2.96Å; L280-A283 WeakPolarHBondContact O-CA 3.17Å; L280-A283 WeakPolarHBondContact O-CB 3.32Å; L280-A283 PolarHBondContact O-N 3.43Å; L280-L284 HydrophobicContact CD1-CG 4.3Å; L280-L284 HydrophobicContact CG-CD1 4.23Å; L280-L284 HydrophobicContact CG-CG 4.41Å; L280-L284 WeakPolarHBondContact O-CG 3.46Å; L280-L284 PolarHBondContact O-N 3.09Å; L280-M302 HydrophobicContact CD1-CE 3.96Å
281	E	97.3	Very high	97.7	Very high	120 Å²	120	84 Å²	84	56%	0.561	46%	0.455	S	S	*	.	H	α-helix	trans	-56.1	-42.8	176.7	-70.2	-54.8	134.5	0	0	112.4	L277 A283 L284 H285	L277-E281 PolarHBondContact O-N 2.99Å; E281-A283 VanDerWaalsContact C-N 3.33Å; E281-A283 PolarHBondContact O-N 3.4Å; E281-L284 PolarHBondContact O-N 2.9Å; E281-H285 PolarHBondContact O-N 2.91Å
282	R	97.8	Very high	97.7	Very high	126 Å²	126	83.5 Å²	83.5	48%	0.475	46%	0.459	S	S	.	.	H	α-helix	trans	-61.6	-40.6	174.4	-71.5	-173.2	-69.1	-109.8	-1.8	112.5	Q278 T279 L280 H285 T286	Q278-R282 PolarHBondContact O-N 2.82Å; T279-R282 PolarHBondContact O-N 2.98Å; T279-R282 PolarHBondContact OG1-NH2 2.9Å; L280-R282 VanDerWaalsContact C-N 3.29Å; L280-R282 PolarHBondContact O-N 2.96Å; R282-H285 PolarHBondContact O-N 2.74Å; R282-T286 PolarHBondContact O-N 3.02Å; R282-T286 PolarHBondContact O-OG1 2.83Å
283	A	97.3	Very high	97.7	Very high	40 Å²	40	88 Å²	88	33%	0.331	47%	0.469	S	S	.	.	H	α-helix	trans	-68.3	-37.3	178	0	0	0	0	0	112.1	T279 L280 E281 H285 T286 L287 M302	T279-A283 PolarHBondContact O-N 2.81Å; L280-A283 WeakPolarHBondContact O-CA 3.17Å; L280-A283 WeakPolarHBondContact O-CB 3.32Å; L280-A283 PolarHBondContact O-N 3.43Å; E281-A283 VanDerWaalsContact C-N 3.33Å; E281-A283 PolarHBondContact O-N 3.4Å; A283-H285 VanDerWaalsContact C-N 3.35Å; A283-T286 PolarHBondContact O-N 3.11Å; A283-L287 PolarHBondContact O-N 2.91Å; A283-M302 HydrophobicContact CB-CE 4.13Å
284	L	97.4	Very high	97.7	Very high	67 Å²	67	92.5 Å²	92.5	35%	0.351	48%	0.478	S	S	.	.	H	α-helix	trans	-64	-40.9	173.8	-67.1	176.8	0	0	0	111.1	L280 E281 T286 L287 D288	L280-L284 HydrophobicContact CD1-CG 4.3Å; L280-L284 HydrophobicContact CG-CD1 4.23Å; L280-L284 HydrophobicContact CG-CG 4.41Å; L280-L284 WeakPolarHBondContact O-CG 3.46Å; L280-L284 PolarHBondContact O-N 3.09Å; E281-L284 PolarHBondContact O-N 2.9Å; L284-T286 VanDerWaalsContact C-N 3.28Å; L284-T286 PolarHBondContact O-N 3.31Å; L284-L287 WeakPolarHBondContact O-CA 3.37Å; L284-L287 WeakPolarHBondContact O-CB 3.44Å; L284-L287 PolarHBondContact O-N 3.12Å; L284-D288 PolarHBondContact O-N 3.06Å
285	H	97.8	Very high	97.7	Very high	135 Å²	135	95.1 Å²	95.1	63%	0.625	48%	0.479	S	S	*	.	H	α-helix	trans	-60.4	-36.7	175.2	-170.6	56.7	0	0	0	112.8	E281 R282 A283 L287 D288	E281-H285 PolarHBondContact O-N 2.91Å; R282-H285 PolarHBondContact O-N 2.74Å; A283-H285 VanDerWaalsContact C-N 3.35Å; H285-L287 VanDerWaalsContact C-N 3.31Å; H285-L287 PolarHBondContact O-N 3.27Å; H285-D288 WeakPolarHBondContact O-CB 3.43Å; H285-D288 PolarHBondContact O-N 2.9Å
286	T	97.9	Very high	97.7	Very high	84 Å²	84	90.7 Å²	90.7	52%	0.515	47%	0.468	S	S	.	.	H	α-helix	trans	-65.4	-34.4	172.9	-53.6	0	0	0	0	112.2	R282 A283 L284 D288 E289	R282-T286 PolarHBondContact O-N 3.02Å; R282-T286 PolarHBondContact O-OG1 2.83Å; A283-T286 PolarHBondContact O-N 3.11Å; L284-T286 VanDerWaalsContact C-N 3.28Å; L284-T286 PolarHBondContact O-N 3.31Å; T286-D288 VanDerWaalsContact C-N 3.25Å; T286-D288 PolarHBondContact O-N 3.18Å; T286-E289 PolarHBondContact O-N 3Å
287	L	96.8	Very high	97.7	Very high	23 Å²	23	93.8 Å²	93.8	12%	0.12	47%	0.47	C	S	.	.	H	α-helix	trans	-70.5	-20.7	175.9	-75.5	-178.8	0	0	0	113.3	A283 L284 H285 E289 L290 R295 M302	A283-L287 PolarHBondContact O-N 2.91Å; L284-L287 WeakPolarHBondContact O-CA 3.37Å; L284-L287 WeakPolarHBondContact O-CB 3.44Å; L284-L287 PolarHBondContact O-N 3.12Å; H285-L287 VanDerWaalsContact C-N 3.31Å; H285-L287 PolarHBondContact O-N 3.27Å; L287-E289 PolarHBondContact O-N 3.35Å; L287-L290 HydrophobicContact CD2-CD1 3.86Å; L287-L290 WeakPolarHBondContact O-CB 3.37Å; L287-L290 PolarHBondContact O-N 3.16Å; L287-L290 VanDerWaalsContact O-N 3.12Å; L287-R295 HydrophobicContact CB-CG 4.16Å; L287-M302 HydrophobicContact CD1-SD 3.52Å; L287-M302 VanDerWaalsContact CD1-SD 3.52Å; L287-M302 HydrophobicContact CG-SD 4.46Å
288	D	97.5	Very high	97.8	Very high	85 Å²	85	94 Å²	94	46%	0.455	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-14.7	177	-71.3	-36.2	0	0	0	113.7	L284 H285 T286 L290 R295	L284-D288 PolarHBondContact O-N 3.06Å; H285-D288 WeakPolarHBondContact O-CB 3.43Å; H285-D288 PolarHBondContact O-N 2.9Å; T286-D288 VanDerWaalsContact C-N 3.25Å; T286-D288 PolarHBondContact O-N 3.18Å; D288-L290 PolarHBondContact O-N 2.84Å; D288-R295 WeakPolarHBondContact OD1-CD 3.46Å; D288-R295 IonicContact OD1-CZ 3.43Å; D288-R295 IonicContact OD1-NE 3.35Å; D288-R295 IonicContact OD1-NH1 2.88Å; D288-R295 PolarHBondContact OD1-NH1 2.97Å
289	E	97.6	Very high	97.8	Very high	159 Å²	159	89.6 Å²	89.6	74%	0.743	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-17.5	171.7	-60.7	178.4	-172.4	0	0	112.6	T286 L287	T286-E289 PolarHBondContact O-N 3Å; L287-E289 PolarHBondContact O-N 3.35Å
290	L	97.9	Very high	97.8	Very high	65 Å²	65	94.4 Å²	94.4	34%	0.34	46%	0.462	S	S	.	.	S	Bend	trans	-91.1	152.6	-178.5	-60.7	177.1	0	0	0	112.2	L287 D288 Y298	L287-L290 HydrophobicContact CD2-CD1 3.86Å; L287-L290 WeakPolarHBondContact O-CB 3.37Å; L287-L290 PolarHBondContact O-N 3.16Å; L287-L290 VanDerWaalsContact O-N 3.12Å; D288-L290 PolarHBondContact O-N 2.84Å; L290-Y298 HydrophobicContact CD1-CD2 3.9Å; L290-Y298 HydrophobicContact CD1-CE2 4.32Å
291	P	98.5	Very high	97.9	Very high	84 Å²	84	99.1 Å²	99.1	55%	0.545	48%	0.476	S	S	.	.			trans	-57	153.4	168.2	-22.2	32.9	0	0	0	112.1	E293 Y294 R295	P291-E293 VanDerWaalsContact C-N 3.29Å; P291-E293 PolarHBondContact O-N 3Å; P291-E293 VanDerWaalsContact O-N 3.13Å; P291-Y294 HydrophobicContact CB-CD2 4.16Å; P291-Y294 HydrophobicContact CG-CD2 4.24Å; P291-Y294 PolarHBondContact O-N 3.03Å; P291-R295 PolarHBondContact O-N 2.81Å
292	A	97.8	Very high	97.9	Very high	64 Å²	64	96.1 Å²	96.1	53%	0.529	46%	0.462	S	S	.	.	H	α-helix	trans	-53.2	-40.6	-171.4	0	0	0	0	0	114.3	R295 D296	A292-R295 PolarHBondContact O-N 3.5Å; A292-D296 PolarHBondContact O-N 3.27Å
293	E	98.2	Very high	97.8	Very high	160 Å²	160	93.9 Å²	93.9	75%	0.748	46%	0.462	S	S	*	.	H	α-helix	trans	-66.4	-39.2	179.4	-63	-179.4	-179.6	0	0	112.6	P291 F297	P291-E293 VanDerWaalsContact C-N 3.29Å; P291-E293 PolarHBondContact O-N 3Å; P291-E293 VanDerWaalsContact O-N 3.13Å; E293-F297 PolarHBondContact O-N 2.98Å; E293-F297 VanDerWaalsContact O-N 3.07Å
294	Y	98.3	Very high	97.8	Very high	135 Å²	135	97.4 Å²	97.4	53%	0.529	47%	0.472	S	S	.	.	H	α-helix	trans	-70.2	-41.6	176.8	-73.6	-100.9	0	0	0	110.6	P291 F297 Y298	P291-Y294 HydrophobicContact CB-CD2 4.16Å; P291-Y294 HydrophobicContact CG-CD2 4.24Å; P291-Y294 PolarHBondContact O-N 3.03Å; Y294-F297 PolarHBondContact O-N 3.39Å; Y294-Y298 HydrophobicContact CD1-CE2 4.4Å; Y294-Y298 WeakPolarHBondContact O-CD2 3.39Å; Y294-Y298 PolarHBondContact O-N 3.07Å
295	R	98	Very high	97.8	Very high	99 Å²	99	101.8 Å²	101.8	37%	0.374	48%	0.484	S	S	.	.	H	α-helix	trans	-60.7	-44.1	174.7	-179.2	174.2	64.7	-155.3	-9.5	111.9	L287 D288 P291 A292 G299	L287-R295 HydrophobicContact CB-CG 4.16Å; D288-R295 WeakPolarHBondContact OD1-CD 3.46Å; D288-R295 IonicContact OD1-CZ 3.43Å; D288-R295 IonicContact OD1-NE 3.35Å; D288-R295 IonicContact OD1-NH1 2.88Å; D288-R295 PolarHBondContact OD1-NH1 2.97Å; P291-R295 PolarHBondContact O-N 2.81Å; A292-R295 PolarHBondContact O-N 3.5Å; R295-G299 PolarHBondContact O-N 2.84Å
296	D	98.3	Very high	97.7	Very high	79 Å²	79	98.8 Å²	98.8	42%	0.422	47%	0.472	S	S	.	.	H	α-helix	trans	-59.3	-51.3	175	173.2	85.7	0	0	0	111.2	A292 Y298 G299 R300	A292-D296 PolarHBondContact O-N 3.27Å; D296-Y298 PolarHBondContact O-N 3.48Å; D296-G299 PolarHBondContact O-N 3.27Å; D296-R300 WeakPolarHBondContact O-CG 3.48Å; D296-R300 PolarHBondContact O-N 3.29Å; D296-R300 IonicContact OD1-CZ 3.98Å; D296-R300 IonicContact OD1-NE 3.75Å; D296-R300 PolarHBondContact OD1-NE 2.88Å; D296-R300 IonicContact OD1-NH2 2.86Å; D296-R300 PolarHBondContact OD1-NH2 3.05Å; D296-R300 IonicContact OD2-CZ 3.68Å; D296-R300 IonicContact OD2-NE 3.23Å; D296-R300 PolarHBondContact OD2-NE 3.1Å; D296-R300 IonicContact OD2-NH2 3.33Å
297	F	98.3	Very high	97.5	Very high	124 Å²	124	98.5 Å²	98.5	54%	0.544	46%	0.464	S	S	.	.	H	α-helix	trans	-57.5	-49.7	-179.8	175.3	-96.9	0	0	0	112.5	E293 Y294 R300 R301	E293-F297 PolarHBondContact O-N 2.98Å; E293-F297 VanDerWaalsContact O-N 3.07Å; Y294-F297 PolarHBondContact O-N 3.39Å; F297-R300 PolarHBondContact O-N 3.12Å; F297-R301 PolarHBondContact O-N 3.31Å; F297-R301 VanDerWaalsContact O-N 3.16Å
298	Y	98.3	Very high	97.3	Very high	91 Å²	91	102.3 Å²	102.3	36%	0.357	49%	0.485	S	S	.	.	H	α-helix	trans	-71.4	-32	-180	-74.2	-64.1	0	0	0	112.6	L290 Y294 D296 R301 M302	L290-Y298 HydrophobicContact CD1-CD2 3.9Å; L290-Y298 HydrophobicContact CD1-CE2 4.32Å; Y294-Y298 HydrophobicContact CD1-CE2 4.4Å; Y294-Y298 WeakPolarHBondContact O-CD2 3.39Å; Y294-Y298 PolarHBondContact O-N 3.07Å; D296-Y298 PolarHBondContact O-N 3.48Å; Y298-R301 PolarHBondContact O-N 3.06Å; Y298-M302 WeakPolarHBondContact O-CG 3.49Å; Y298-M302 PolarHBondContact O-N 3.03Å
299	G	98	Very high	97.2	Very high	21 Å²	21	107.8 Å²	107.8	22%	0.216	50%	0.499	C	S	.	.	H	α-helix	trans	-59.1	-48.8	171.5	0	0	0	0	0	111.9	R295 D296 R301 M302 V303	R295-G299 PolarHBondContact O-N 2.84Å; D296-G299 PolarHBondContact O-N 3.27Å; G299-R301 VanDerWaalsContact C-N 3.3Å; G299-R301 PolarHBondContact O-N 2.83Å; G299-M302 WeakPolarHBondContact O-CB 3.43Å; G299-M302 PolarHBondContact O-N 3.06Å; G299-M302 VanDerWaalsContact O-N 3.12Å; G299-V303 WeakPolarHBondContact O-CG2 3.42Å; G299-V303 PolarHBondContact O-N 2.91Å
300	R	98.3	Very high	97	Very high	167 Å²	167	104.2 Å²	104.2	63%	0.63	49%	0.488	S	S	*	.	H	α-helix	trans	-58.2	-41.6	174.8	-68.3	172.9	-170.7	-89.3	-11	112.2	D296 F297 M302 V303 Q304	D296-R300 WeakPolarHBondContact O-CG 3.48Å; D296-R300 PolarHBondContact O-N 3.29Å; D296-R300 IonicContact OD1-CZ 3.98Å; D296-R300 IonicContact OD1-NE 3.75Å; D296-R300 PolarHBondContact OD1-NE 2.88Å; D296-R300 IonicContact OD1-NH2 2.86Å; D296-R300 PolarHBondContact OD1-NH2 3.05Å; D296-R300 IonicContact OD2-CZ 3.68Å; D296-R300 IonicContact OD2-NE 3.23Å; D296-R300 PolarHBondContact OD2-NE 3.1Å; D296-R300 IonicContact OD2-NH2 3.33Å; F297-R300 PolarHBondContact O-N 3.12Å; R300-M302 PolarHBondContact O-N 2.88Å; R300-V303 PolarHBondContact O-N 2.98Å; R300-Q304 PolarHBondContact O-N 2.99Å
301	R	97.8	Very high	96.7	Very high	154 Å²	154	106.9 Å²	106.9	58%	0.581	50%	0.495	S	S	*	.	H	α-helix	trans	-64.6	-38	176.7	-171.2	-178.2	172.3	-158	-1.6	112.2	F297 Y298 G299 R305	F297-R301 PolarHBondContact O-N 3.31Å; F297-R301 VanDerWaalsContact O-N 3.16Å; Y298-R301 PolarHBondContact O-N 3.06Å; G299-R301 VanDerWaalsContact C-N 3.3Å; G299-R301 PolarHBondContact O-N 2.83Å; R301-R305 WeakPolarHBondContact O-CB 3.17Å; R301-R305 PolarHBondContact O-N 3.31Å
302	M	97.9	Very high	95.7	Very high	56 Å²	56	108.5 Å²	108.5	28%	0.276	51%	0.507	S	S	.	.	H	α-helix	trans	-64.7	-45.6	174.1	-74.3	177.5	68.5	0	0	111.4	L280 A283 L287 Y298 G299 R300 Q304 R305 I306	L280-M302 HydrophobicContact CD1-CE 3.96Å; A283-M302 HydrophobicContact CB-CE 4.13Å; L287-M302 HydrophobicContact CD1-SD 3.52Å; L287-M302 VanDerWaalsContact CD1-SD 3.52Å; L287-M302 HydrophobicContact CG-SD 4.46Å; Y298-M302 WeakPolarHBondContact O-CG 3.49Å; Y298-M302 PolarHBondContact O-N 3.03Å; G299-M302 WeakPolarHBondContact O-CB 3.43Å; G299-M302 PolarHBondContact O-N 3.06Å; G299-M302 VanDerWaalsContact O-N 3.12Å; R300-M302 PolarHBondContact O-N 2.88Å; M302-Q304 PolarHBondContact O-N 3Å; M302-R305 WeakPolarHBondContact O-CB 3.42Å; M302-R305 PolarHBondContact O-N 2.88Å; M302-R305 VanDerWaalsContact O-N 3.11Å; M302-I306 WeakPolarHBondContact O-CG1 3.44Å; M302-I306 PolarHBondContact O-N 2.81Å
303	V	96.9	Very high	94	Very high	79 Å²	79	112.9 Å²	112.9	48%	0.479	52%	0.516	S	S	.	.	H	α-helix	trans	-56.7	-49.3	175.7	172.5	0	0	0	0	110.8	G299 R300 R305 I306 Q307	G299-V303 WeakPolarHBondContact O-CG2 3.42Å; G299-V303 PolarHBondContact O-N 2.91Å; R300-V303 PolarHBondContact O-N 2.98Å; V303-R305 VanDerWaalsContact C-N 3.28Å; V303-R305 PolarHBondContact O-N 3.13Å; V303-I306 PolarHBondContact O-N 3.41Å; V303-I306 VanDerWaalsContact O-N 3.15Å; V303-Q307 HydrophobicContact CG1-CG 4.35Å; V303-Q307 WeakPolarHBondContact O-CG 3.41Å; V303-Q307 PolarHBondContact O-N 2.87Å
304	Q	96.7	Very high	91.7	Very high	114 Å²	114	110.6 Å²	110.6	53%	0.533	51%	0.509	S	S	.	.	H	α-helix	trans	-57.4	-41.6	176.4	-173.6	-174.5	39.1	0	0	111.9	R300 M302 Q307 N308	R300-Q304 PolarHBondContact O-N 2.99Å; M302-Q304 PolarHBondContact O-N 3Å; Q304-Q307 PolarHBondContact O-N 2.99Å; Q304-N308 WeakPolarHBondContact O-CB 3.35Å; Q304-N308 PolarHBondContact O-N 2.99Å; Q304-N308 PolarHBondContact O-ND2 3.26Å
305	R	96.2	Very high	89.1	Confident	160 Å²	160	109.2 Å²	109.2	60%	0.604	52%	0.517	S	S	*	.	H	α-helix	trans	-66.7	-37.8	179.1	-174.9	61	175.9	127.7	-7	112.4	R301 M302 V303 R309	R301-R305 WeakPolarHBondContact O-CB 3.17Å; R301-R305 PolarHBondContact O-N 3.31Å; M302-R305 WeakPolarHBondContact O-CB 3.42Å; M302-R305 PolarHBondContact O-N 2.88Å; M302-R305 VanDerWaalsContact O-N 3.11Å; V303-R305 VanDerWaalsContact C-N 3.28Å; V303-R305 PolarHBondContact O-N 3.13Å; R305-R309 WeakPolarHBondContact O-CB 3.49Å; R305-R309 PolarHBondContact O-N 3.12Å
306	I	95.7	Very high	86.5	Confident	71 Å²	71	111.8 Å²	111.8	36%	0.364	54%	0.538	S	S	.	.	H	α-helix	trans	-64.4	-54.4	175.1	-68.8	165.1	0	0	0	108.9	M302 V303 N308 R309 T310	M302-I306 WeakPolarHBondContact O-CG1 3.44Å; M302-I306 PolarHBondContact O-N 2.81Å; V303-I306 PolarHBondContact O-N 3.41Å; V303-I306 VanDerWaalsContact O-N 3.15Å; I306-N308 PolarHBondContact O-N 3.03Å; I306-R309 PolarHBondContact O-N 3.28Å; I306-T310 HydrophobicContact CG2-CG2 4.37Å; I306-T310 PolarHBondContact O-N 3.07Å; I306-T310 PolarHBondContact O-OG1 3.35Å
307	Q	94.4	Very high	83.7	Confident	78 Å²	78	112.2 Å²	112.2	36%	0.364	55%	0.547	S	S	.	.	H	α-helix	trans	-51.3	-52.6	178.7	-72.9	175.9	-37	0	0	111.7	V303 Q304 R309 Y311	V303-Q307 HydrophobicContact CG1-CG 4.35Å; V303-Q307 WeakPolarHBondContact O-CG 3.41Å; V303-Q307 PolarHBondContact O-N 2.87Å; Q304-Q307 PolarHBondContact O-N 2.99Å; Q307-R309 PolarHBondContact O-N 3.43Å; Q307-R309 VanDerWaalsContact O-N 3.09Å; Q307-Y311 HydrophobicContact CG-CD2 4.46Å; Q307-Y311 HydrophobicContact CG-CE1 4.34Å; Q307-Y311 HydrophobicContact CG-CE2 4.09Å; Q307-Y311 WeakPolarHBondContact O-CB 3.48Å; Q307-Y311 PolarHBondContact O-N 2.79Å; Q307-Y311 VanDerWaalsContact O-N 3.17Å
308	N	93.9	Very high	80.7	Confident	103 Å²	103	114.5 Å²	114.5	55%	0.551	56%	0.559	S	S	*	*	H	α-helix	trans	-62.6	-19.7	-179.8	-70.9	-9.5	0	0	0	114.4	Q304 I306	Q304-N308 WeakPolarHBondContact O-CB 3.35Å; Q304-N308 PolarHBondContact O-N 2.99Å; Q304-N308 PolarHBondContact O-ND2 3.26Å; I306-N308 PolarHBondContact O-N 3.03Å
309	R	94.3	Very high	77.7	Confident	200 Å²	200	116.3 Å²	116.3	76%	0.755	58%	0.58	S	S	*	*	H	α-helix	trans	-102.4	-36.3	-176.2	-176.1	177.7	-179.7	-177	0.5	112.8	R305 I306 Q307	R305-R309 WeakPolarHBondContact O-CB 3.49Å; R305-R309 PolarHBondContact O-N 3.12Å; I306-R309 PolarHBondContact O-N 3.28Å; Q307-R309 PolarHBondContact O-N 3.43Å; Q307-R309 VanDerWaalsContact O-N 3.09Å
310	T	93	Very high	74.6	Confident	84 Å²	84	121.8 Å²	121.8	52%	0.515	61%	0.609	S	S	.	*	H	α-helix	trans	-109.2	-20.2	-167.1	64.5	0	0	0	0	113.7	I306	I306-T310 HydrophobicContact CG2-CG2 4.37Å; I306-T310 PolarHBondContact O-N 3.07Å; I306-T310 PolarHBondContact O-OG1 3.35Å
311	Y	91.1	Very high	71.5	Confident	121 Å²	121	121 Å²	121	48%	0.475	62%	0.616	S	S	.	*	S	Bend	trans	-79.6	129.4	-178	-75.6	24.5	0	0	0	109.2	Q307 H313	Q307-Y311 HydrophobicContact CG-CD2 4.46Å; Q307-Y311 HydrophobicContact CG-CE1 4.34Å; Q307-Y311 HydrophobicContact CG-CE2 4.09Å; Q307-Y311 WeakPolarHBondContact O-CB 3.48Å; Q307-Y311 PolarHBondContact O-N 2.79Å; Q307-Y311 VanDerWaalsContact O-N 3.17Å; Y311-H313 PolarHBondContact O-N 3.42Å
312	C	78.1	Confident	68.4	Low	118 Å²	118	119 Å²	119	80%	0.797	62%	0.623	S	S	*	*			trans	-70.7	113.2	173.6	-46.4	0	0	0	0	108	N314	C312-N314 PolarHBondContact O-N 2.98Å
313	H	61.6	Low	65.2	Low	157 Å²	157	128 Å²	128	73%	0.727	65%	0.654	S	S	*	*			trans	-73.7	105.1	167.4	-71	-59.4	0	0	0	108.1	Y311 P315	Y311-H313 PolarHBondContact O-N 3.42Å; H313-P315 WeakPolarHBondContact O-CD 3.44Å
314	N	50.8	Low	62.1	Low	111 Å²	111	129.7 Å²	129.7	59%	0.594	67%	0.669	S	S	*	*			trans	-73.9	120	164.9	-115.9	4.9	0	0	0	107.3	C312 D316 S317	C312-N314 PolarHBondContact O-N 2.98Å; N314-D316 PolarHBondContact O-N 3.47Å; N314-D316 VanDerWaalsContact O-N 3.14Å; N314-S317 PolarHBondContact O-N 3.33Å; N314-S317 PolarHBondContact O-OG 3.32Å; N314-S317 VanDerWaalsContact O-OG 3.13Å
315	P	43.7	Very low	59.2	Low	107 Å²	107	132.5 Å²	132.5	70%	0.695	69%	0.687	S	S	*	*	G	3₁₀ helix	trans	-59.3	-25.1	177.4	-21.7	33.2	0	0	0	112.8	H313 S317	H313-P315 WeakPolarHBondContact O-CD 3.44Å; P315-S317 VanDerWaalsContact C-N 3.33Å; P315-S317 PolarHBondContact O-N 3.24Å
316	D	42.9	Very low	56.2	Low	153 Å²	153	130.3 Å²	130.3	82%	0.818	70%	0.696	S	S	*	*	G	3₁₀ helix	trans	-83.9	-2.6	-173.6	-60	-37.1	0	0	0	114.2	N314	N314-D316 PolarHBondContact O-N 3.47Å; N314-D316 VanDerWaalsContact O-N 3.14Å
317	S	40.3	Very low	53.2	Low	87 Å²	87	135.5 Å²	135.5	61%	0.608	72%	0.719	S	S	*	*	G	3₁₀ helix	trans	-100.7	4.4	179.2	64.3	0	0	0	0	114.6	N314 P315 T319	N314-S317 PolarHBondContact O-N 3.33Å; N314-S317 PolarHBondContact O-OG 3.32Å; N314-S317 VanDerWaalsContact O-OG 3.13Å; P315-S317 VanDerWaalsContact C-N 3.33Å; P315-S317 PolarHBondContact O-N 3.24Å; S317-T319 VanDerWaalsContact C-N 3.33Å; S317-T319 PolarHBondContact O-N 3.23Å
318	E	36	Very low	50.3	Low	172 Å²	172	141.6 Å²	141.6	80%	0.804	74%	0.744	S	S	*	*			trans	-73.6	89.8	170.6	-77.4	-167	171.4	0	0	110.1	T320	E318-T320 PolarHBondContact O-N 3.4Å
319	T	34.2	Very low	47.5	Very low	130 Å²	130	145.7 Å²	145.7	80%	0.798	76%	0.759	S	S	*	*			trans	-54.8	119.9	154.9	25.6	0	0	0	0	107.9	S317 I321	S317-T319 VanDerWaalsContact C-N 3.33Å; S317-T319 PolarHBondContact O-N 3.23Å; T319-I321 PolarHBondContact O-N 2.96Å
320	T	32.8	Very low	44.6	Very low	135 Å²	135	139.4 Å²	139.4	83%	0.828	76%	0.756	S	S	*	*			trans	-61.2	103.6	-171.9	-25.5	0	0	0	0	109.9	E318	E318-T320 PolarHBondContact O-N 3.4Å
321	I	32.9	Very low	42	Very low	152 Å²	152	147 Å²	147	78%	0.779	78%	0.776	S	S	*	*			trans	-86.9	119.9	159.2	-57.6	178.6	0	0	0	106.1	T319 R323	T319-I321 PolarHBondContact O-N 2.96Å; I321-R323 PolarHBondContact O-N 3.18Å; I321-R323 VanDerWaalsContact O-N 3.16Å
322	P	32.9	Very low	39.4	Very low	112 Å²	112	148 Å²	148	73%	0.727	79%	0.794	S	S	*	*			trans	-64.4	122	-179.4	-12.1	25.1	0	0	0	109.4	S324	P322-S324 PolarHBondContact O-N 3.3Å
323	R	31.4	Very low	37.5	Very low	245 Å²	245	151.8 Å²	151.8	93%	0.925	79%	0.793	S	S	*	*			trans	-59.9	113	162.2	-80.9	-176.9	174.7	-179.8	0.2	107.5	I321 L325	I321-R323 PolarHBondContact O-N 3.18Å; I321-R323 VanDerWaalsContact O-N 3.16Å; R323-L325 PolarHBondContact O-N 3.43Å
324	S	32	Very low	36.3	Very low	113 Å²	113	154.3 Å²	154.3	79%	0.79	80%	0.802	S	S	*	*			trans	-58.1	124.7	170.6	49	0	0	0	0	109.4	P322 S326	P322-S324 PolarHBondContact O-N 3.3Å; S324-S326 PolarHBondContact O-N 3.27Å; S324-S326 VanDerWaalsContact O-N 3.11Å
325	L	34.4	Very low	35.9	Very low	173 Å²	173	155.6 Å²	155.6	91%	0.906	81%	0.809	S	S	*	*			trans	-61.8	107.8	170.9	-78.9	150.7	0	0	0	108.5	R323	R323-L325 PolarHBondContact O-N 3.43Å
326	S	33.7	Very low	35.7	Very low	115 Å²	115	162.6 Å²	162.6	80%	0.804	84%	0.839	S	S	*	*			trans	-76.9	123	165.1	61.9	0	0	0	0	109.3	S324 K328	S324-S326 PolarHBondContact O-N 3.27Å; S324-S326 VanDerWaalsContact O-N 3.11Å; S326-K328 PolarHBondContact O-N 3.29Å
327	H	33.6	Very low	35.3	Very low	179 Å²	179	163.1 Å²	163.1	83%	0.829	84%	0.84	S	S	*	*			trans	-53.2	124.2	-179.8	-81.3	-62	0	0	0	112.9	H329	H327-H329 PolarHBondContact O-N 3.4Å
328	K	33.2	Very low	35.1	Very low	207 Å²	207	167.1 Å²	167.1	90%	0.9	85%	0.852	S	S	*	*			trans	-65.6	111.9	156.3	-75	-177.7	177	179.3	0	108.6	S326 G330	S326-K328 PolarHBondContact O-N 3.29Å; K328-G330 PolarHBondContact O-N 3.24Å
329	H	35	Very low	35	Very low	189 Å²	189	166.8 Å²	166.8	88%	0.875	86%	0.855	S	S	*	*			trans	-65.5	109.2	163.7	-97.5	59.2	0	0	0	109.3	H327	H327-H329 PolarHBondContact O-N 3.4Å
330	G	32.3	Very low	35.1	Very low	67 Å²	67	169 Å²	169	69%	0.691	86%	0.858	S	S	*	*			trans	-76.4	129.3	166.5	0	0	0	0	0	110.4	K328	K328-G330 PolarHBondContact O-N 3.24Å
331	R	38.2	Very low	35.2	Very low	245 Å²	245	171.1 Å²	171.1	93%	0.925	86%	0.86	S	S	*	*			trans	-63.7	134.8	166.4	-70	176.8	-178.3	-179	-0.6	109.5
332	V	38.4	Very low	35.4	Very low	141 Å²	141	172.4 Å²	172.4	86%	0.855	87%	0.866	S	S	*	*			trans	-128.3	137.3	160.3	-179.1	0	0	0	0	108.6
333	Y	36.5	Very low	35.6	Very low	198 Å²	198	176.7 Å²	176.7	78%	0.776	88%	0.875	S	S	*	*			trans	-54.4	153.5	-171.9	-81.1	-114.2	0	0	0	115.5
334	K	37.1	Very low	35.9	Very low	209 Å²	209	171.5 Å²	171.5	91%	0.909	87%	0.872	S	S	*	*			trans	-121.2	110.8	149.7	-88.6	-172	173.8	-174.9	0	108.3
335	D	43.2	Very low	36.2	Very low	138 Å²	138	176.3 Å²	176.3	74%	0.738	88%	0.878	S	S	*	*			trans	-90.5	152.1	154.5	-75.6	-43	0	0	0	108.8
336	L	38.8	Very low	36.4	Very low	255 Å²	255	176.6 Å²	176.6	100%	1.335	88%	0.876	S	S	*	*			trans	95.3	0	-177.5	-61.6	165.3	0	0	0	115.9

Retrieved 336 of 336 residues in 205.7 ms (Link to these results)

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