A0A077YV10_TRITR Loading...

Parathyroid hormone 2 receptor

AlphaFold DB , UniProt , Accession A0A077YV10, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 336 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.8	Very low	55.8	Low	239 Å²	239	118.5 Å²	118.5	100%	1.177	65%	0.649	S	S	*	*				0	110.1	0	-70.2	174.1	-158.8	0	0	106.7	N3	M1-N3 PolarHBondContact O-N 2.71Å; M1-N3 VanDerWaalsContact O-N 3.12Å
2	T	30.4	Very low	59.1	Low	134 Å²	134	115.1 Å²	115.1	82%	0.822	62%	0.623	S	S	*	*			trans	-72.2	95.1	170.6	39.2	0	0	0	0	107.2	V4	T2-V4 PolarHBondContact O-N 2.86Å
3	N	32.3	Very low	61.9	Low	158 Å²	158	107.2 Å²	107.2	85%	0.845	58%	0.58	S	S	*	*			trans	-65.2	96.5	160.2	-96.1	-7	0	0	0	105.4	M1 A5	M1-N3 PolarHBondContact O-N 2.71Å; M1-N3 VanDerWaalsContact O-N 3.12Å; N3-A5 PolarHBondContact O-N 2.66Å
4	V	37.8	Very low	64.1	Low	127 Å²	127	101.1 Å²	101.1	77%	0.77	55%	0.547	S	S	*	.			trans	-58	101	156.1	-178.2	0	0	0	0	103	T2 R6	T2-V4 PolarHBondContact O-N 2.86Å; V4-R6 PolarHBondContact O-N 3.28Å
5	A	44.3	Very low	65.8	Low	55 Å²	55	102.1 Å²	102.1	46%	0.455	55%	0.552	S	S	.	*			trans	-48.1	118.2	169	0	0	0	0	0	104.9	N3 G7	N3-A5 PolarHBondContact O-N 2.66Å; A5-G7 PolarHBondContact O-N 3.48Å
6	R	47.7	Very low	67	Low	199 Å²	199	98.9 Å²	98.9	75%	0.751	54%	0.537	S	S	*	.			trans	-46.1	118.8	162.2	-81.3	179.7	171	174.5	-2.7	104	V4 V8	V4-R6 PolarHBondContact O-N 3.28Å; R6-V8 WeakPolarHBondContact O-CG2 3.39Å; R6-V8 PolarHBondContact O-N 3.33Å
7	G	54.3	Low	67.8	Low	67 Å²	67	93.1 Å²	93.1	69%	0.691	51%	0.505	S	S	*	.			trans	-52.4	107.5	-172.2	0	0	0	0	0	107.1	A5 E9	A5-G7 PolarHBondContact O-N 3.48Å; G7-E9 VanDerWaalsContact C-N 3.32Å; G7-E9 PolarHBondContact O-N 2.92Å
8	V	67.8	Low	68.1	Low	31 Å²	31	88.1 Å²	88.1	19%	0.188	48%	0.478	C	S	.	.			trans	-72	103.8	177.5	174.5	0	0	0	0	104.6	R6 V330 L335	R6-V8 WeakPolarHBondContact O-CG2 3.39Å; R6-V8 PolarHBondContact O-N 3.33Å; V8-V330 HydrophobicContact CG1-CG1 3.8Å; V8-L335 HydrophobicContact CB-CD1 4.25Å; V8-L335 HydrophobicContact CB-CD2 4.11Å; V8-L335 HydrophobicContact CB-CG 4.36Å; V8-L335 HydrophobicContact CG1-CD1 3.84Å; V8-L335 HydrophobicContact CG1-CG 4.23Å; V8-L335 HydrophobicContact CG2-CD1 4.23Å; V8-L335 HydrophobicContact CG2-CD2 3.38Å; V8-L335 HydrophobicContact CG2-CG 3.79Å
9	E	78.9	Confident	67.8	Low	168 Å²	168	87.1 Å²	87.1	79%	0.785	48%	0.483	S	S	*	.			trans	-79	127.5	-176.3	-71.9	-173.4	168.2	0	0	109.1	G7 E11	G7-E9 VanDerWaalsContact C-N 3.32Å; G7-E9 PolarHBondContact O-N 2.92Å; E9-E11 PolarHBondContact O-N 2.78Å
10	V	91.1	Very high	68.1	Low	51 Å²	51	85.7 Å²	85.7	31%	0.309	48%	0.477	S	S	.	.			trans	-78.6	114.8	166.9	-170.7	0	0	0	0	107.6	V296 P299 Y328 V330	V10-V296 HydrophobicContact CG2-CG2 3.8Å; V10-P299 HydrophobicContact CB-CG 4.24Å; V10-P299 HydrophobicContact CG1-CG 3.35Å; V10-P299 HydrophobicContact CG2-CG 4.45Å; V10-Y328 HydrophobicContact CG1-CD1 4.06Å; V10-Y328 HydrophobicContact CG1-CG 4.4Å; V10-V330 HydrophobicContact CB-CG2 3.86Å; V10-V330 HydrophobicContact CG1-CG2 3.58Å; V10-V330 HydrophobicContact CG2-CG2 3.59Å
11	E	94.7	Very high	68.2	Low	74 Å²	74	90.1 Å²	90.1	35%	0.346	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	127.8	178.6	-173.6	-173	170.9	0	0	109.9	E9 L13 K70 Y328 R329	E9-E11 PolarHBondContact O-N 2.78Å; E11-L13 VanDerWaalsContact CD-CD2 3.49Å; E11-L13 HydrophobicContact CG-CD2 3.99Å; E11-L13 WeakPolarHBondContact OE1-CD2 3.28Å; E11-K70 IonicContact OE1-NZ 3.49Å; E11-Y328 CarbonylContact O-C 3.54Å; E11-Y328 VanDerWaalsContact O-CA 3.25Å; E11-Y328 WeakPolarHBondContact O-CA 3.34Å; E11-R329 PolarHBondContact N-O 2.96Å; E11-R329 PolarHBondContact O-N 3.27Å; E11-R329 IonicContact OE1-NH2 3.74Å; E11-R329 IonicContact OE2-CZ 2.9Å; E11-R329 IonicContact OE2-NE 3.51Å; E11-R329 IonicContact OE2-NH2 3.56Å; E11-R329 PolarHBondContact OE2-NH2 3.15Å
12	K	95.3	Very high	70.2	Confident	78 Å²	78	82 Å²	82	34%	0.339	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	117.3	167.2	-165.1	177.1	-169	-168.8	0	109.7	L14 D15 H325 Y328	K12-L14 VanDerWaalsContact CE-O 3.31Å; K12-L14 WeakPolarHBondContact CE-O 3.15Å; K12-D15 VanDerWaalsContact CE-OD1 3.31Å; K12-D15 WeakPolarHBondContact CE-OD1 3.33Å; K12-D15 IonicContact NZ-OD1 3.15Å; K12-D15 PolarHBondContact NZ-OD1 3.37Å; K12-H325 WeakPolarHBondContact CE-O 3.31Å; K12-Y328 HydrophobicContact CB-CD1 3.8Å; K12-Y328 HydrophobicContact CB-CE1 3.65Å; K12-Y328 HydrophobicContact CD-CE1 3.73Å; K12-Y328 WeakPolarHBondContact CD-OH 3.34Å; K12-Y328 WeakPolarHBondContact CE-OH 3.31Å; K12-Y328 HydrophobicContact CG-CD1 3.91Å; K12-Y328 HydrophobicContact CG-CE1 3.52Å; K12-Y328 HydrophobicContact CG-CE2 4.39Å
13	L	95	Very high	72.9	Confident	12 Å²	12	76.9 Å²	76.9	6%	0.063	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	-37.9	-178.8	-61.4	-178.1	0	0	0	112.4	E11 L67 Y319 L327 R329	E11-L13 VanDerWaalsContact CD-CD2 3.49Å; E11-L13 HydrophobicContact CG-CD2 3.99Å; E11-L13 WeakPolarHBondContact OE1-CD2 3.28Å; L13-L67 HydrophobicContact CD1-CD2 3.91Å; L13-Y319 HydrophobicContact CD1-CD1 4.23Å; L13-Y319 HydrophobicContact CD1-CE1 3.99Å; L13-L327 HydrophobicContact CB-CD2 4.47Å; L13-L327 HydrophobicContact CB-CG 4.47Å; L13-L327 HydrophobicContact CD1-CD2 4.15Å; L13-L327 HydrophobicContact CD1-CG 4.37Å; L13-L327 PolarHBondContact N-O 3.32Å; L13-R329 HydrophobicContact CD1-CB 3.8Å; L13-R329 HydrophobicContact CG-CB 4.11Å
14	L	93.6	Very high	75.7	Confident	23 Å²	23	71.8 Å²	71.8	12%	0.12	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	147.7	-179	-68.6	174.7	0	0	0	110.4	K12 V17 V65 K70 G326 L327	K12-L14 VanDerWaalsContact CE-O 3.31Å; K12-L14 WeakPolarHBondContact CE-O 3.15Å; L14-V17 HydrophobicContact CD1-CG2 4.23Å; L14-V65 HydrophobicContact CD1-CG1 3.43Å; L14-V65 VanDerWaalsContact CD1-CG1 3.43Å; L14-K70 HydrophobicContact CD2-CB 3.97Å; L14-K70 VanDerWaalsContact CD2-O 3.28Å; L14-K70 WeakPolarHBondContact CD2-O 3.46Å; L14-G326 CarbonylContact O-C 3.58Å; L14-G326 WeakPolarHBondContact O-CA 3.33Å; L14-L327 HydrophobicContact CB-CB 4.14Å; L14-L327 HydrophobicContact CD1-CB 4.45Å; L14-L327 PolarHBondContact N-O 3.46Å; L14-L327 PolarHBondContact O-N 2.87Å
15	D	88.7	Confident	78.2	Confident	115 Å²	115	68.4 Å²	68.4	62%	0.615	39%	0.39	S	S	*	.	S	Bend	trans	-79.3	-29.8	174.4	-73.7	-47.4	0	0	0	113.5	K12 H325 G326	K12-D15 VanDerWaalsContact CE-OD1 3.31Å; K12-D15 WeakPolarHBondContact CE-OD1 3.33Å; K12-D15 IonicContact NZ-OD1 3.15Å; K12-D15 PolarHBondContact NZ-OD1 3.37Å; D15-H325 CarbonylContact O-C 3.28Å; D15-H325 VanDerWaalsContact O-C 3.28Å; D15-G326 VanDerWaalsContact C-CA 3.44Å; D15-G326 VanDerWaalsContact O-CA 3.26Å; D15-G326 WeakPolarHBondContact O-CA 3.5Å; D15-G326 PolarHBondContact O-N 2.93Å; D15-G326 VanDerWaalsContact O-N 3.15Å
16	V	85.4	Confident	80.6	Confident	52 Å²	52	68.1 Å²	68.1	32%	0.315	38%	0.378	S	S	.	.			trans	-150.2	140.8	-179.3	173.9	0	0	0	0	107.9	A19	V16-A19 HydrophobicContact CG1-CB 3.65Å
17	V	80.2	Confident	82.9	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	35%	0.347	C	S	.	.	S	Bend	trans	-105.6	-29.9	173.1	-178.5	0	0	0	0	111.4	L14 L38 V63 V65 Y72 L323 L327	L14-V17 HydrophobicContact CD1-CG2 4.23Å; V17-L38 HydrophobicContact CB-CD1 4.38Å; V17-L38 HydrophobicContact CG1-CD1 3.55Å; V17-V63 HydrophobicContact CG1-CG1 3.74Å; V17-V65 HydrophobicContact CG1-CG2 3.42Å; V17-V65 VanDerWaalsContact CG1-CG2 3.42Å; V17-Y72 WeakPolarHBondContact O-CD2 3.22Å; V17-Y72 WeakPolarHBondContact O-CE2 3.47Å; V17-Y72 VanDerWaalsContact O-CZ 3.3Å; V17-L323 HydrophobicContact CB-CD2 4.1Å; V17-L323 HydrophobicContact CG1-CD2 4.01Å; V17-L323 PolarHBondContact N-O 3.44Å; V17-L327 HydrophobicContact CG2-CB 3.8Å
18	N	74.3	Confident	84.9	Confident	2 Å²	2	58 Å²	58	1%	0.011	32%	0.322	C	S	.	.			trans	-164.3	116.5	170.5	-174.6	-3.8	0	0	0	110.6	T20 V63 Q74 L323	N18-T20 WeakPolarHBondContact OD1-CG2 3.26Å; N18-T20 PolarHBondContact OD1-N 2.86Å; N18-T20 VanDerWaalsContact OD1-N 3.08Å; N18-T20 PolarHBondContact OD1-OG1 2.9Å; N18-V63 HydrophobicContact CB-CG2 4.24Å; N18-Q74 PolarHBondContact ND2-OE1 2.87Å; N18-L323 HydrophobicContact CB-CB 4.39Å; N18-L323 HydrophobicContact CB-CD1 4.06Å; N18-L323 HydrophobicContact CB-CD2 3.96Å; N18-L323 HydrophobicContact CB-CG 4.41Å; N18-L323 PolarHBondContact N-O 2.91Å
19	A	61.9	Low	86.3	Confident	70 Å²	70	57.3 Å²	57.3	58%	0.579	32%	0.318	S	S	*	.			trans	-107.6	21.6	178.9	0	0	0	0	0	113.5	V16	V16-A19 HydrophobicContact CG1-CB 3.65Å
20	T	74.1	Confident	87.2	Confident	58 Å²	58	49.6 Å²	49.6	36%	0.356	28%	0.282	S	S	.	.			trans	-73.4	138	178.1	62.4	0	0	0	0	111.4	N18 S22 A23	N18-T20 WeakPolarHBondContact OD1-CG2 3.26Å; N18-T20 PolarHBondContact OD1-N 2.86Å; N18-T20 VanDerWaalsContact OD1-N 3.08Å; N18-T20 PolarHBondContact OD1-OG1 2.9Å; T20-S22 PolarHBondContact O-N 2.96Å; T20-A23 WeakPolarHBondContact O-CB 3.42Å; T20-A23 PolarHBondContact O-N 2.95Å
21	D	69.3	Low	87.5	Confident	179 Å²	179	48.7 Å²	48.7	96%	0.957	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-17.9	177.1	-66	-30.6	0	0	0	113.4
22	S	78.1	Confident	87.7	Confident	68 Å²	68	45.3 Å²	45.3	48%	0.476	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	0.7	177.8	68.7	0	0	0	0	114.1	T20 Q24	T20-S22 PolarHBondContact O-N 2.96Å; S22-Q24 PolarHBondContact O-N 2.92Å; S22-Q24 PolarHBondContact O-NE2 2.78Å
23	A	86.8	Confident	87.7	Confident	28 Å²	28	47.3 Å²	47.3	23%	0.231	27%	0.272	C	S	.	.			trans	-59.7	131.9	-179.8	0	0	0	0	0	110.3	T20 Y61 L323	T20-A23 WeakPolarHBondContact O-CB 3.42Å; T20-A23 PolarHBondContact O-N 2.95Å; A23-Y61 WeakPolarHBondContact CA-OH 3.47Å; A23-L323 HydrophobicContact CB-CD1 4.02Å
24	Q	91	Very high	87.8	Confident	50 Å²	50	48 Å²	48	23%	0.234	28%	0.282	C	S	.	.			trans	-66.1	145.1	171.1	-61.1	-53.9	-62.9	0	0	109.1	S22 F26 H27 L41 Y61	S22-Q24 PolarHBondContact O-N 2.92Å; S22-Q24 PolarHBondContact O-NE2 2.78Å; Q24-F26 VanDerWaalsContact C-N 3.28Å; Q24-F26 PolarHBondContact O-N 2.95Å; Q24-H27 PolarHBondContact O-CE1 2.89Å; Q24-H27 PolarHBondContact O-NE2 2.81Å; Q24-L41 WeakPolarHBondContact CG-O 3.49Å; Q24-L41 PolarHBondContact OE1-O 2.62Å; Q24-Y61 HydrophobicContact CB-CE1 4.48Å; Q24-Y61 HydrophobicContact CG-CE1 4.1Å; Q24-Y61 PolarHBondContact N-OH 2.95Å; Q24-Y61 VanDerWaalsContact N-OH 3.13Å
25	P	89.6	Confident	88	Confident	56 Å²	56	48.8 Å²	48.8	36%	0.364	29%	0.285	S	S	.	.	S	Bend	trans	-78.5	-7.9	-179.6	26	-30.3	0	0	0	114.4	Q306	P25-Q306 WeakPolarHBondContact O-CB 3.31Å; P25-Q306 WeakPolarHBondContact O-CG 3.15Å
26	F	94.2	Very high	88.4	Confident	49 Å²	49	43.3 Å²	43.3	22%	0.215	26%	0.256	C	S	.	.			trans	-136.4	148.8	-178.4	-58.9	-83	0	0	0	110.3	Q24 L41 R54 F305 Q306	Q24-F26 VanDerWaalsContact C-N 3.28Å; Q24-F26 PolarHBondContact O-N 2.95Å; F26-L41 HydrophobicContact CB-CB 4.4Å; F26-L41 HydrophobicContact CB-CD1 3.98Å; F26-L41 HydrophobicContact CB-CG 4.29Å; F26-L41 WeakPolarHBondContact O-CG 3.47Å; F26-L41 PolarHBondContact O-N 3.45Å; F26-R54 VanDerWaalsContact CD2-CD 3.44Å; F26-R54 VanDerWaalsContact CD2-CZ 3.44Å; F26-R54 VanDerWaalsContact CE2-NE 3.33Å; F26-R54 VanDerWaalsContact CE2-NH2 3.26Å; F26-R54 VanDerWaalsContact CZ-NH2 3.33Å; F26-F305 WeakPolarHBondContact CE1-O 3.16Å; F26-Q306 HydrophobicContact CE1-CG 4.38Å
27	H	96	Very high	89	Confident	19 Å²	19	42.5 Å²	42.5	9%	0.088	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	156.8	-176.7	-53.9	76.1	0	0	0	111.3	Q24 L38 F39 G40 Y61 C308 L323	Q24-H27 PolarHBondContact O-CE1 2.89Å; Q24-H27 PolarHBondContact O-NE2 2.81Å; H27-L38 HydrophobicContact CB-CB 4.32Å; H27-L38 HydrophobicContact CB-CD2 4.43Å; H27-F39 WeakPolarHBondContact CA-O 3.48Å; H27-G40 VanDerWaalsContact CD2-CA 3.41Å; H27-G40 WeakPolarHBondContact CD2-CA 3.25Å; H27-Y61 AromaticContact NE2-CZ 3.76Å; H27-Y61 PolarHBondContact NE2-OH 3.08Å; H27-C308 PolarHBondContact O-SG 3.15Å; H27-L323 WeakPolarHBondContact CE1-CD1 3.06Å; H27-L323 VanDerWaalsContact NE2-CD1 3.25Å; H27-L323 WeakPolarHBondContact NE2-CD1 3.31Å
28	H	97.1	Very high	89.8	Confident	36 Å²	36	42.5 Å²	42.5	17%	0.167	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	135	148.3	-69	-54.8	0	0	0	108.5	L38 F39 L41 E88 V90	H28-L38 WeakPolarHBondContact O-CA 3.23Å; H28-F39 HydrophobicContact CB-CB 4.44Å; H28-F39 HydrophobicContact CB-CD2 4.42Å; H28-F39 PolarHBondContact N-O 2.87Å; H28-F39 VanDerWaalsContact N-O 3.08Å; H28-F39 PolarHBondContact O-N 2.85Å; H28-L41 VanDerWaalsContact CD2-CD2 3.43Å; H28-L41 WeakPolarHBondContact CD2-CD2 3.46Å; H28-E88 IonicContact NE2-OE1 3.75Å; H28-V90 HydrophobicContact CB-CB 4.01Å; H28-V90 HydrophobicContact CB-CG2 4.07Å; H28-V90 VanDerWaalsContact CD2-CG2 3.47Å; H28-V90 WeakPolarHBondContact CD2-CG2 3.13Å
29	C	97.3	Very high	90.9	Very high	16 Å²	16	42.4 Å²	42.4	11%	0.108	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	126.2	175.8	-175.9	0	0	0	0	110.5	V36 Y37 L38 C308 T310	C29-V36 VanDerWaalsContact SG-CG1 3.56Å; C29-Y37 VanDerWaalsContact CA-O 3.31Å; C29-Y37 WeakPolarHBondContact CA-O 3.13Å; C29-L38 HydrophobicContact CB-CD2 3.53Å; C29-L38 WeakPolarHBondContact SG-CD2 3.34Å; C29-C308 HydrophobicContact CB-CB 3.97Å; C29-C308 WeakPolarHBondContact CB-SG 3.16Å; C29-T310 PolarHBondContact O-OG1 2.82Å; C29-T310 VanDerWaalsContact SG-CB 3.52Å; C29-T310 WeakPolarHBondContact SG-CG2 3.21Å
30	V	98	Very high	92.5	Very high	5 Å²	5	39.1 Å²	39.1	3%	0.03	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	129.1	-177.6	-179.6	0	0	0	0	109.7	Y37 V90 A92 I97 T310	V30-Y37 PolarHBondContact N-O 2.76Å; V30-Y37 PolarHBondContact O-N 3.23Å; V30-V90 HydrophobicContact CG2-CB 4.26Å; V30-V90 HydrophobicContact CG2-CG1 3.85Å; V30-A92 HydrophobicContact CG1-CB 3.46Å; V30-A92 VanDerWaalsContact CG1-CB 3.46Å; V30-I97 HydrophobicContact CG1-CG1 4.17Å; V30-I97 HydrophobicContact CG1-CG2 4.38Å; V30-T310 VanDerWaalsContact CA-OG1 3.32Å; V30-T310 WeakPolarHBondContact CA-OG1 3.4Å
31	Y	97.9	Very high	93.6	Very high	33 Å²	33	37.1 Å²	37.1	13%	0.129	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	135.4	166.6	173.4	-88.8	0	0	0	110	G34 H35 V36 L67 A92 T310 D312 Y319	Y31-G34 WeakPolarHBondContact OH-CA 3.04Å; Y31-G34 PolarHBondContact OH-N 3.22Å; Y31-H35 WeakPolarHBondContact CA-O 3.5Å; Y31-H35 WeakPolarHBondContact CD2-O 3.39Å; Y31-V36 HydrophobicContact CD2-CG2 4.29Å; Y31-L67 HydrophobicContact CD2-CD1 4.11Å; Y31-L67 HydrophobicContact CE2-CD1 3.75Å; Y31-A92 WeakPolarHBondContact O-CB 3.24Å; Y31-T310 PolarHBondContact N-OG1 2.61Å; Y31-D312 HydrophobicContact CD1-CB 3.5Å; Y31-D312 VanDerWaalsContact CD1-CB 3.5Å; Y31-D312 HydrophobicContact CD2-CB 4.25Å; Y31-D312 HydrophobicContact CE1-CB 3.42Å; Y31-D312 VanDerWaalsContact CE1-CB 3.42Å; Y31-D312 VanDerWaalsContact CE1-OD2 3.25Å; Y31-D312 WeakPolarHBondContact CE1-OD2 3.14Å; Y31-D312 HydrophobicContact CE2-CB 4.17Å; Y31-D312 HydrophobicContact CG-CB 3.91Å; Y31-D312 PolarHBondContact OH-OD2 3.04Å; Y31-Y319 HydrophobicContact CD2-CD2 4.31Å; Y31-Y319 AromaticContact CD2-CE2 3.65Å; Y31-Y319 HydrophobicContact CD2-CE2 3.65Å; Y31-Y319 HydrophobicContact CE2-CE2 4.05Å; Y31-Y319 HydrophobicContact CG-CE2 4.36Å
32	A	97.3	Very high	94.8	Very high	2 Å²	2	32.4 Å²	32.4	2%	0.017	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	132.1	173.6	0	0	0	0	0	110.2	G34 H35 Y37 A92 D95 I97	A32-G34 VanDerWaalsContact C-N 3.32Å; A32-G34 PolarHBondContact O-N 3.45Å; A32-H35 PolarHBondContact N-O 2.66Å; A32-H35 WeakPolarHBondContact O-CA 3.4Å; A32-H35 WeakPolarHBondContact O-CB 3.24Å; A32-H35 PolarHBondContact O-N 2.72Å; A32-Y37 HydrophobicContact CB-CD2 4.39Å; A32-Y37 HydrophobicContact CB-CE2 4.13Å; A32-A92 HydrophobicContact CB-CB 4.2Å; A32-D95 WeakPolarHBondContact CB-O 3.41Å; A32-I97 HydrophobicContact CB-CD1 4.11Å; A32-I97 HydrophobicContact CB-CG1 3.67Å
33	D	95.6	Very high	95.6	Very high	121 Å²	121	30.9 Å²	30.9	65%	0.647	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.8	39.9	172.9	-161.7	22.6	0	0	0	115.1	H35 D95	D33-H35 VanDerWaalsContact C-N 3.27Å; D33-H35 PolarHBondContact O-CD2 2.89Å; D33-H35 VanDerWaalsContact O-CD2 3.31Å; D33-H35 PolarHBondContact O-N 3.31Å; D33-D95 HydrophobicContact CB-CB 4.02Å; D33-D95 PolarHBondContact N-OD1 2.9Å
34	G	96.8	Very high	95.9	Very high	25 Å²	25	30.4 Å²	30.4	26%	0.258	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	76	13.8	-178.4	0	0	0	0	0	114.6	Y31 A32 L67	Y31-G34 WeakPolarHBondContact OH-CA 3.04Å; Y31-G34 PolarHBondContact OH-N 3.22Å; A32-G34 VanDerWaalsContact C-N 3.32Å; A32-G34 PolarHBondContact O-N 3.45Å; G34-L67 VanDerWaalsContact O-CB 3.23Å; G34-L67 WeakPolarHBondContact O-CB 3.36Å; G34-L67 WeakPolarHBondContact O-CD1 3.47Å; G34-L67 WeakPolarHBondContact O-CG 3.45Å; G34-L67 PolarHBondContact O-N 3.04Å
35	H	97.8	Very high	96	Very high	41 Å²	41	34.3 Å²	34.3	19%	0.19	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	154.2	175.1	-71	-126	0	0	0	111	Y31 A32 D33 Y37 D64 V65	Y31-H35 WeakPolarHBondContact CA-O 3.5Å; Y31-H35 WeakPolarHBondContact CD2-O 3.39Å; A32-H35 PolarHBondContact N-O 2.66Å; A32-H35 WeakPolarHBondContact O-CA 3.4Å; A32-H35 WeakPolarHBondContact O-CB 3.24Å; A32-H35 PolarHBondContact O-N 2.72Å; D33-H35 VanDerWaalsContact C-N 3.27Å; D33-H35 PolarHBondContact O-CD2 2.89Å; D33-H35 VanDerWaalsContact O-CD2 3.31Å; D33-H35 PolarHBondContact O-N 3.31Å; H35-Y37 HydrophobicContact CB-CD2 4.08Å; H35-Y37 HydrophobicContact CB-CE2 3.4Å; H35-D64 IonicContact CE1-OD1 2.78Å; H35-D64 IonicContact CG-OD1 3.78Å; H35-D64 IonicContact ND1-OD1 2.72Å; H35-D64 PolarHBondContact ND1-OD1 3.33Å; H35-D64 IonicContact ND1-OD2 3.33Å; H35-V65 CarbonylContact C-O 3.58Å; H35-V65 WeakPolarHBondContact CA-O 3.13Å; H35-V65 WeakPolarHBondContact CB-O 3.45Å
36	V	97.7	Very high	96	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	122.3	167.8	170.3	0	0	0	0	108.7	C29 Y31 L38 V65 L67 T310 Y319 L327	C29-V36 VanDerWaalsContact SG-CG1 3.56Å; Y31-V36 HydrophobicContact CD2-CG2 4.29Å; V36-L38 HydrophobicContact CG1-CD2 4.43Å; V36-V65 HydrophobicContact CB-CB 4.29Å; V36-V65 PolarHBondContact N-O 3.13Å; V36-V65 VanDerWaalsContact O-CB 3.3Å; V36-V65 WeakPolarHBondContact O-CB 3.3Å; V36-V65 WeakPolarHBondContact O-CG2 3.38Å; V36-V65 PolarHBondContact O-N 3.42Å; V36-L67 HydrophobicContact CB-CD2 4.44Å; V36-L67 HydrophobicContact CG2-CD1 4.21Å; V36-L67 HydrophobicContact CG2-CD2 3.93Å; V36-L67 HydrophobicContact CG2-CG 4.41Å; V36-T310 HydrophobicContact CG1-CG2 4.2Å; V36-T310 HydrophobicContact CG2-CG2 4.08Å; V36-Y319 HydrophobicContact CG2-CD1 4.13Å; V36-Y319 HydrophobicContact CG2-CD2 4.29Å; V36-Y319 HydrophobicContact CG2-CG 4.01Å; V36-L327 HydrophobicContact CG1-CD1 4.47Å
37	Y	97.5	Very high	95.8	Very high	34 Å²	34	33.9 Å²	33.9	13%	0.133	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	133.3	-179.4	-66	-96.8	0	0	0	110.9	C29 V30 A32 H35 V63 D64 I97	C29-Y37 VanDerWaalsContact CA-O 3.31Å; C29-Y37 WeakPolarHBondContact CA-O 3.13Å; V30-Y37 PolarHBondContact N-O 2.76Å; V30-Y37 PolarHBondContact O-N 3.23Å; A32-Y37 HydrophobicContact CB-CD2 4.39Å; A32-Y37 HydrophobicContact CB-CE2 4.13Å; H35-Y37 HydrophobicContact CB-CD2 4.08Å; H35-Y37 HydrophobicContact CB-CE2 3.4Å; Y37-V63 CarbonylContact C-O 3.55Å; Y37-V63 VanDerWaalsContact CA-O 3.32Å; Y37-V63 WeakPolarHBondContact CA-O 3.19Å; Y37-D64 HydrophobicContact CD1-CB 3.98Å; Y37-D64 HydrophobicContact CE1-CB 3.76Å; Y37-D64 VanDerWaalsContact CE1-CG 3.46Å; Y37-I97 HydrophobicContact CD1-CD1 3.87Å; Y37-I97 HydrophobicContact CD2-CD1 3.29Å; Y37-I97 HydrophobicContact CD2-CG1 4.46Å; Y37-I97 HydrophobicContact CE1-CD1 4.16Å; Y37-I97 HydrophobicContact CE2-CD1 3.6Å; Y37-I97 HydrophobicContact CG-CD1 3.41Å; Y37-I97 VanDerWaalsContact CG-CD1 3.41Å
38	L	97.1	Very high	95.4	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	117.2	177.3	-57.6	171.3	0	0	0	109.9	V17 H27 H28 C29 V36 A62 V63 C308 T321 L323	V17-L38 HydrophobicContact CB-CD1 4.38Å; V17-L38 HydrophobicContact CG1-CD1 3.55Å; H27-L38 HydrophobicContact CB-CB 4.32Å; H27-L38 HydrophobicContact CB-CD2 4.43Å; H28-L38 WeakPolarHBondContact O-CA 3.23Å; C29-L38 HydrophobicContact CB-CD2 3.53Å; C29-L38 WeakPolarHBondContact SG-CD2 3.34Å; V36-L38 HydrophobicContact CG1-CD2 4.43Å; L38-A62 CarbonylContact O-C 3.52Å; L38-A62 VanDerWaalsContact O-CA 3.29Å; L38-A62 WeakPolarHBondContact O-CA 3.33Å; L38-V63 HydrophobicContact CB-CB 4.24Å; L38-V63 PolarHBondContact N-O 2.94Å; L38-V63 PolarHBondContact O-N 2.72Å; L38-C308 HydrophobicContact CD2-CB 4.5Å; L38-T321 HydrophobicContact CD1-CG2 3.86Å; L38-T321 HydrophobicContact CD2-CG2 3.84Å; L38-L323 HydrophobicContact CD1-CD2 3.28Å; L38-L323 HydrophobicContact CG-CD2 4.49Å
39	F	97.2	Very high	94.9	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	113.4	179.4	-57	-87.9	0	0	0	110.1	H27 H28 L41 I56 A62 F77 V90 I97 W116 W121	H27-F39 WeakPolarHBondContact CA-O 3.48Å; H28-F39 HydrophobicContact CB-CB 4.44Å; H28-F39 HydrophobicContact CB-CD2 4.42Å; H28-F39 PolarHBondContact N-O 2.87Å; H28-F39 VanDerWaalsContact N-O 3.08Å; H28-F39 PolarHBondContact O-N 2.85Å; F39-L41 PolarHBondContact O-N 3.31Å; F39-I56 HydrophobicContact CB-CG2 3.82Å; F39-A62 HydrophobicContact CD1-CB 3.66Å; F39-A62 HydrophobicContact CE1-CB 3.71Å; F39-F77 HydrophobicContact CD1-CE1 4.22Å; F39-V90 HydrophobicContact CD2-CG1 4.15Å; F39-V90 HydrophobicContact CE2-CG1 3.98Å; F39-I97 HydrophobicContact CE2-CG2 4.13Å; F39-I97 HydrophobicContact CZ-CD1 4.24Å; F39-I97 HydrophobicContact CZ-CG2 4.11Å; F39-W116 AromaticContact CE1-CD2 3.78Å; F39-W116 HydrophobicContact CE1-CD2 3.78Å; F39-W116 AromaticContact CE1-CE2 3.94Å; F39-W116 AromaticContact CE1-CE3 3.96Å; F39-W116 HydrophobicContact CE1-CE3 3.96Å; F39-W116 HydrophobicContact CE1-CG 4.17Å; F39-W116 HydrophobicContact CE1-CH2 4.43Å; F39-W116 HydrophobicContact CE1-CZ2 4.27Å; F39-W116 HydrophobicContact CE1-CZ3 4.28Å; F39-W116 HydrophobicContact CZ-CD2 4.24Å; F39-W116 HydrophobicContact CZ-CG 4.15Å; F39-W121 AromaticContact CD1-CZ2 3.64Å; F39-W121 HydrophobicContact CD1-CZ2 3.64Å; F39-W121 AromaticContact CE1-CH2 4Å; F39-W121 HydrophobicContact CE1-CH2 4Å; F39-W121 AromaticContact CE1-CZ2 3.41Å; F39-W121 HydrophobicContact CE1-CZ2 3.41Å; F39-W121 VanDerWaalsContact CE1-CZ2 3.41Å; F39-W121 HydrophobicContact CE2-CH2 4.4Å; F39-W121 HydrophobicContact CE2-CZ2 4.39Å; F39-W121 HydrophobicContact CG-CZ2 4.23Å; F39-W121 AromaticContact CZ-CH2 3.93Å; F39-W121 HydrophobicContact CZ-CH2 3.93Å; F39-W121 AromaticContact CZ-CZ2 3.82Å; F39-W121 HydrophobicContact CZ-CZ2 3.82Å
40	G	95.9	Very high	94.4	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	126.7	-174.5	0	0	0	0	0	112.7	H27 S60 Y61	H27-G40 VanDerWaalsContact CD2-CA 3.41Å; H27-G40 WeakPolarHBondContact CD2-CA 3.25Å; G40-S60 WeakPolarHBondContact O-CB 3.4Å; G40-S60 PolarHBondContact O-OG 3.4Å; G40-Y61 PolarHBondContact N-O 3.07Å
41	L	96.7	Very high	93.9	Very high	17 Å²	17	45.2 Å²	45.2	9%	0.089	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-90	125.7	-178	-46.5	-175.6	0	0	0	111.3	Q24 F26 H28 F39 R54 I56	Q24-L41 WeakPolarHBondContact CG-O 3.49Å; Q24-L41 PolarHBondContact OE1-O 2.62Å; F26-L41 HydrophobicContact CB-CB 4.4Å; F26-L41 HydrophobicContact CB-CD1 3.98Å; F26-L41 HydrophobicContact CB-CG 4.29Å; F26-L41 WeakPolarHBondContact O-CG 3.47Å; F26-L41 PolarHBondContact O-N 3.45Å; H28-L41 VanDerWaalsContact CD2-CD2 3.43Å; H28-L41 WeakPolarHBondContact CD2-CD2 3.46Å; F39-L41 PolarHBondContact O-N 3.31Å; L41-R54 HydrophobicContact CB-CB 3.81Å; L41-R54 HydrophobicContact CD1-CB 3.89Å; L41-R54 HydrophobicContact CG-CB 4.49Å; L41-I56 HydrophobicContact CD2-CG2 3.31Å
42	K	95.7	Very high	93.6	Very high	80 Å²	80	49.5 Å²	49.5	35%	0.348	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	143.3	171.3	-75.3	-173.3	176.4	166.5	0	111.7	R54 T55 L58 G59	K42-R54 CarbonylContact O-C 3.52Å; K42-R54 VanDerWaalsContact O-CA 3.31Å; K42-R54 WeakPolarHBondContact O-CA 3.31Å; K42-T55 PolarHBondContact N-O 3.21Å; K42-T55 PolarHBondContact O-N 2.95Å; K42-L58 HydrophobicContact CB-CB 4.48Å; K42-L58 HydrophobicContact CD-CB 4.28Å; K42-G59 WeakPolarHBondContact CD-O 3.37Å; K42-G59 WeakPolarHBondContact CE-O 3.3Å; K42-G59 PolarHBondContact NZ-O 2.96Å
43	G	94.2	Very high	93.4	Very high	36 Å²	36	50.3 Å²	50.3	37%	0.371	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	136.8	171.3	0	0	0	0	0	113.6	Y52	G43-Y52 VanDerWaalsContact CA-CZ 3.46Å; G43-Y52 WeakPolarHBondContact CA-OH 3.5Å
44	A	94.3	Very high	93.4	Very high	17 Å²	17	50.2 Å²	50.2	14%	0.14	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	131.4	173.4	0	0	0	0	0	111.3	K53 L58	A44-K53 HydrophobicContact CB-CG 4.07Å; A44-K53 PolarHBondContact N-O 2.81Å; A44-K53 PolarHBondContact O-N 3.22Å; A44-L58 HydrophobicContact CB-CD1 3.66Å
45	E	92.6	Very high	93.5	Very high	133 Å²	133	49 Å²	49	62%	0.621	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.7	140.1	168.6	-63.8	-60.7	154.4	0	0	110.1
46	Q	89.9	Confident	93.4	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.009	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	75.5	169.8	-59.9	-177.1	-83.8	0	0	108	Q48 Y49 S50 S51 K53 E84	Q46-Q48 PolarHBondContact O-N 2.99Å; Q46-Y49 HydrophobicContact CB-CD2 4.36Å; Q46-Y49 CarbonylContact O-C 3.54Å; Q46-Y49 PolarHBondContact O-N 3.5Å; Q46-Y49 VanDerWaalsContact O-N 3.11Å; Q46-S50 PolarHBondContact O-N 2.92Å; Q46-S51 CarbonylContact C-O 3.47Å; Q46-S51 WeakPolarHBondContact CA-O 3.3Å; Q46-S51 WeakPolarHBondContact CB-O 3.2Å; Q46-S51 WeakPolarHBondContact CB-OG 3.39Å; Q46-S51 PolarHBondContact N-O 3.02Å; Q46-S51 PolarHBondContact O-N 3.21Å; Q46-S51 PolarHBondContact OE1-OG 3.49Å; Q46-K53 HydrophobicContact CG-CB 4.31Å; Q46-K53 HydrophobicContact CG-CD 4.04Å; Q46-K53 HydrophobicContact CG-CG 3.91Å; Q46-E84 VanDerWaalsContact CA-CD 3.48Å; Q46-E84 WeakPolarHBondContact CA-OE1 3.27Å; Q46-E84 HydrophobicContact CB-CG 3.79Å; Q46-E84 WeakPolarHBondContact CB-OE1 3.36Å; Q46-E84 HydrophobicContact CG-CG 3.95Å; Q46-E84 PolarHBondContact NE2-O 3Å
47	S	89.3	Confident	93.4	Very high	94 Å²	94	47.1 Å²	47.1	66%	0.657	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-59	-41.1	-175.2	-61.1	0	0	0	0	114.1	Y49 S50 E84	S47-Y49 PolarHBondContact O-N 2.95Å; S47-S50 PolarHBondContact O-N 3.34Å; S47-E84 PolarHBondContact N-OE1 3.47Å
48	Q	88.6	Confident	93.4	Very high	122 Å²	122	48 Å²	48	57%	0.57	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-61.2	-31	176.8	-179.6	173.8	-19.5	0	0	111.4	Q46 E84 E106	Q46-Q48 PolarHBondContact O-N 2.99Å; Q48-E84 WeakPolarHBondContact CA-OE1 3.17Å; Q48-E84 VanDerWaalsContact CB-OE1 3.29Å; Q48-E84 WeakPolarHBondContact CB-OE1 3.43Å; Q48-E84 PolarHBondContact N-OE1 3.14Å; Q48-E84 PolarHBondContact N-OE2 3.3Å; Q48-E106 PolarHBondContact NE2-OE1 2.51Å
49	Y	85.6	Confident	93.2	Very high	43 Å²	43	48 Å²	48	17%	0.169	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-108.2	7.2	-176.7	-50.6	-67.5	0	0	0	114	Q46 S47 S51 E84 D85 Y105 E106	Q46-Y49 HydrophobicContact CB-CD2 4.36Å; Q46-Y49 CarbonylContact O-C 3.54Å; Q46-Y49 PolarHBondContact O-N 3.5Å; Q46-Y49 VanDerWaalsContact O-N 3.11Å; S47-Y49 PolarHBondContact O-N 2.95Å; Y49-S51 PolarHBondContact O-N 2.7Å; Y49-E84 HydrophobicContact CD2-CG 4.25Å; Y49-E84 WeakPolarHBondContact CD2-OE1 3.46Å; Y49-E84 HydrophobicContact CE2-CB 4.41Å; Y49-E84 HydrophobicContact CE2-CG 4.3Å; Y49-E84 PolarHBondContact N-OE1 3.26Å; Y49-D85 HydrophobicContact CE2-CB 3.69Å; Y49-Y105 AromaticContact CD1-CD1 3.58Å; Y49-Y105 HydrophobicContact CD1-CD1 3.58Å; Y49-Y105 AromaticContact CD1-CD2 3.69Å; Y49-Y105 HydrophobicContact CD1-CD2 3.69Å; Y49-Y105 HydrophobicContact CD1-CE1 4.06Å; Y49-Y105 HydrophobicContact CD1-CE2 4.2Å; Y49-Y105 AromaticContact CD1-CG 3.38Å; Y49-Y105 HydrophobicContact CD1-CG 3.38Å; Y49-Y105 AromaticContact CD2-CD2 3.6Å; Y49-Y105 HydrophobicContact CD2-CD2 3.6Å; Y49-Y105 AromaticContact CD2-CE2 3.89Å; Y49-Y105 HydrophobicContact CD2-CE2 3.89Å; Y49-Y105 HydrophobicContact CD2-CG 4.17Å; Y49-Y105 HydrophobicContact CE1-CD1 4.1Å; Y49-Y105 AromaticContact CE1-CD2 3.98Å; Y49-Y105 HydrophobicContact CE1-CD2 3.98Å; Y49-Y105 AromaticContact CE1-CG 3.56Å; Y49-Y105 HydrophobicContact CE1-CG 3.56Å; Y49-Y105 AromaticContact CE2-CD2 3.89Å; Y49-Y105 HydrophobicContact CE2-CD2 3.89Å; Y49-Y105 HydrophobicContact CE2-CG 4.3Å; Y49-Y105 HydrophobicContact CG-CD1 4.01Å; Y49-Y105 AromaticContact CG-CD2 3.48Å; Y49-Y105 HydrophobicContact CG-CD2 3.48Å; Y49-Y105 VanDerWaalsContact CG-CD2 3.48Å; Y49-Y105 HydrophobicContact CG-CE1 4.12Å; Y49-Y105 AromaticContact CG-CE2 3.65Å; Y49-Y105 HydrophobicContact CG-CE2 3.65Å; Y49-Y105 AromaticContact CG-CG 3.71Å; Y49-Y105 HydrophobicContact CG-CG 3.71Å; Y49-Y105 AromaticContact CG-CZ 3.96Å; Y49-E106 PolarHBondContact OH-OE1 3.32Å; Y49-E106 VanDerWaalsContact OH-OE1 3.13Å
50	S	86.4	Confident	93.1	Very high	119 Å²	119	48.4 Å²	48.4	83%	0.832	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.5	45	-177.2	-59.6	0	0	0	0	112.9	Q46 S47	Q46-S50 PolarHBondContact O-N 2.92Å; S47-S50 PolarHBondContact O-N 3.34Å
51	S	87.9	Confident	93	Very high	30 Å²	30	48.7 Å²	48.7	21%	0.21	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	176.8	-176.2	62.1	0	0	0	0	111.7	Q46 Y49 Y105	Q46-S51 CarbonylContact C-O 3.47Å; Q46-S51 WeakPolarHBondContact CA-O 3.3Å; Q46-S51 WeakPolarHBondContact CB-O 3.2Å; Q46-S51 WeakPolarHBondContact CB-OG 3.39Å; Q46-S51 PolarHBondContact N-O 3.02Å; Q46-S51 PolarHBondContact O-N 3.21Å; Q46-S51 PolarHBondContact OE1-OG 3.49Å; Y49-S51 PolarHBondContact O-N 2.7Å; S51-Y105 PolarHBondContact OG-OH 3.02Å
52	Y	91.5	Very high	93	Very high	123 Å²	123	47.9 Å²	47.9	48%	0.482	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	137.2	179.1	177.3	-88.1	0	0	0	108.6	G43 R54	G43-Y52 VanDerWaalsContact CA-CZ 3.46Å; G43-Y52 WeakPolarHBondContact CA-OH 3.5Å; Y52-R54 HydrophobicContact CE1-CG 3.8Å
53	K	93.6	Very high	92.9	Very high	19 Å²	19	44.1 Å²	44.1	8%	0.083	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	154.6	173.5	67.6	178.5	179.4	-174.1	0	111.7	A44 Q46 T55 T83 E84 R86	A44-K53 HydrophobicContact CB-CG 4.07Å; A44-K53 PolarHBondContact N-O 2.81Å; A44-K53 PolarHBondContact O-N 3.22Å; Q46-K53 HydrophobicContact CG-CB 4.31Å; Q46-K53 HydrophobicContact CG-CD 4.04Å; Q46-K53 HydrophobicContact CG-CG 3.91Å; K53-T55 HydrophobicContact CD-CG2 4.34Å; K53-T55 HydrophobicContact CG-CG2 4.38Å; K53-T83 PolarHBondContact NZ-O 2.87Å; K53-E84 WeakPolarHBondContact CE-O 3.46Å; K53-E84 PolarHBondContact NZ-O 3.5Å; K53-R86 PolarHBondContact NZ-O 3.18Å
54	R	95.9	Very high	93	Very high	118 Å²	118	44.2 Å²	44.2	45%	0.445	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	130.3	164.2	-62.5	179.6	-174.3	136.8	1.2	106.6	F26 L41 K42 Y52	F26-R54 VanDerWaalsContact CD2-CD 3.44Å; F26-R54 VanDerWaalsContact CD2-CZ 3.44Å; F26-R54 VanDerWaalsContact CE2-NE 3.33Å; F26-R54 VanDerWaalsContact CE2-NH2 3.26Å; F26-R54 VanDerWaalsContact CZ-NH2 3.33Å; L41-R54 HydrophobicContact CB-CB 3.81Å; L41-R54 HydrophobicContact CD1-CB 3.89Å; L41-R54 HydrophobicContact CG-CB 4.49Å; K42-R54 CarbonylContact O-C 3.52Å; K42-R54 VanDerWaalsContact O-CA 3.31Å; K42-R54 WeakPolarHBondContact O-CA 3.31Å; Y52-R54 HydrophobicContact CE1-CG 3.8Å
55	T	97.5	Very high	93.1	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.006	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	146.4	-172.9	-177	0	0	0	0	113.5	K42 K53 L57 L58 E88	K42-T55 PolarHBondContact N-O 3.21Å; K42-T55 PolarHBondContact O-N 2.95Å; K53-T55 HydrophobicContact CD-CG2 4.34Å; K53-T55 HydrophobicContact CG-CG2 4.38Å; T55-L57 WeakPolarHBondContact OG1-CB 3.33Å; T55-L57 VanDerWaalsContact OG1-CG 3.29Å; T55-L57 WeakPolarHBondContact OG1-CG 3.49Å; T55-L57 PolarHBondContact OG1-N 2.84Å; T55-L57 VanDerWaalsContact OG1-N 3.08Å; T55-L58 HydrophobicContact CG2-CD1 4.11Å; T55-L58 HydrophobicContact CG2-CG 3.88Å; T55-E88 WeakPolarHBondContact CA-OE1 3.35Å; T55-E88 WeakPolarHBondContact CB-OE1 3.29Å; T55-E88 PolarHBondContact OG1-OE1 2.8Å; T55-E88 PolarHBondContact OG1-OE2 2.88Å
56	I	96.8	Very high	93.2	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.201	C	C	.	.	S	Bend	trans	-82.7	-17.3	168.7	62.5	168.1	0	0	0	112.6	F39 L41 L58 G59 F77 E88 V90 M99 W121	F39-I56 HydrophobicContact CB-CG2 3.82Å; L41-I56 HydrophobicContact CD2-CG2 3.31Å; I56-L58 PolarHBondContact O-N 2.86Å; I56-L58 VanDerWaalsContact O-N 3.07Å; I56-G59 PolarHBondContact O-N 3.12Å; I56-F77 HydrophobicContact CB-CE2 4.35Å; I56-F77 HydrophobicContact CB-CZ 4.1Å; I56-F77 WeakPolarHBondContact O-CE2 3.24Å; I56-E88 HydrophobicContact CD1-CG 4.47Å; I56-E88 HydrophobicContact CG1-CG 3.9Å; I56-E88 WeakPolarHBondContact CG1-OE1 3.25Å; I56-E88 PolarHBondContact N-OE1 2.93Å; I56-V90 HydrophobicContact CD1-CG2 3.65Å; I56-M99 HydrophobicContact CD1-CG 4.34Å; I56-M99 HydrophobicContact CD1-SD 3.34Å; I56-M99 WeakPolarHBondContact CD1-SD 3.45Å; I56-M99 HydrophobicContact CG1-SD 3.74Å; I56-W121 HydrophobicContact CD1-CZ2 3.67Å
57	L	97.8	Very high	93.6	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.005	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-22	-172.7	-59.5	175.3	0	0	0	113.5	T55 G59 S79 I80 D81 R86 E88 M99 T101	T55-L57 WeakPolarHBondContact OG1-CB 3.33Å; T55-L57 VanDerWaalsContact OG1-CG 3.29Å; T55-L57 WeakPolarHBondContact OG1-CG 3.49Å; T55-L57 PolarHBondContact OG1-N 2.84Å; T55-L57 VanDerWaalsContact OG1-N 3.08Å; L57-G59 PolarHBondContact O-N 2.98Å; L57-S79 CarbonylContact O-C 3.6Å; L57-S79 WeakPolarHBondContact O-CA 3.32Å; L57-S79 PolarHBondContact O-OG 2.86Å; L57-I80 HydrophobicContact CD2-CB 4.43Å; L57-I80 HydrophobicContact CD2-CD1 4.46Å; L57-I80 PolarHBondContact O-N 2.86Å; L57-D81 CarbonylContact C-O 3.47Å; L57-D81 HydrophobicContact CB-CB 4.45Å; L57-D81 WeakPolarHBondContact CB-O 3.38Å; L57-D81 PolarHBondContact O-N 2.91Å; L57-D81 VanDerWaalsContact O-O 3.13Å; L57-R86 HydrophobicContact CD1-CB 3.94Å; L57-R86 HydrophobicContact CD1-CG 3.51Å; L57-E88 HydrophobicContact CD1-CB 4.49Å; L57-E88 HydrophobicContact CD2-CB 4.41Å; L57-E88 HydrophobicContact CG-CB 4.46Å; L57-M99 HydrophobicContact CD2-CE 3.69Å; L57-M99 HydrophobicContact CD2-SD 3.66Å; L57-T101 HydrophobicContact CD2-CG2 3.86Å
58	L	96.7	Very high	93.9	Very high	51 Å²	51	43.8 Å²	43.8	27%	0.267	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	5.1	175.1	-61.8	-176.1	0	0	0	114	K42 A44 T55 I56 S79 K82	K42-L58 HydrophobicContact CB-CB 4.48Å; K42-L58 HydrophobicContact CD-CB 4.28Å; A44-L58 HydrophobicContact CB-CD1 3.66Å; T55-L58 HydrophobicContact CG2-CD1 4.11Å; T55-L58 HydrophobicContact CG2-CG 3.88Å; I56-L58 PolarHBondContact O-N 2.86Å; I56-L58 VanDerWaalsContact O-N 3.07Å; L58-S79 WeakPolarHBondContact O-CB 3.49Å; L58-K82 HydrophobicContact CD2-CB 4.36Å; L58-K82 HydrophobicContact CD2-CG 4.03Å
59	G	94.1	Very high	94.2	Very high	3 Å²	3	42.9 Å²	42.9	3%	0.031	21%	0.212	C	C	.	.			trans	76.7	137.3	-178.5	0	0	0	0	0	110.9	K42 I56 L57 F77 S78	K42-G59 WeakPolarHBondContact CD-O 3.37Å; K42-G59 WeakPolarHBondContact CE-O 3.3Å; K42-G59 PolarHBondContact NZ-O 2.96Å; I56-G59 PolarHBondContact O-N 3.12Å; L57-G59 PolarHBondContact O-N 2.98Å; G59-F77 CarbonylContact C-O 3.56Å; G59-F77 VanDerWaalsContact CA-O 3.28Å; G59-F77 WeakPolarHBondContact CA-O 3.1Å; G59-S78 WeakPolarHBondContact CA-O 3.25Å
60	S	94.2	Very high	94.6	Very high	8 Å²	8	45.6 Å²	45.6	6%	0.056	23%	0.225	C	C	.	.			trans	-158	-140.7	-173.8	-166.3	0	0	0	0	109.6	G40 Y76 F77	G40-S60 WeakPolarHBondContact O-CB 3.4Å; G40-S60 PolarHBondContact O-OG 3.4Å; S60-Y76 WeakPolarHBondContact O-CA 3.48Å; S60-F77 PolarHBondContact N-O 3.33Å; S60-F77 VanDerWaalsContact N-O 3.11Å; S60-F77 PolarHBondContact O-N 2.8Å
61	Y	94.8	Very high	94.9	Very high	5 Å²	5	43.4 Å²	43.4	2%	0.02	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	156.1	169.1	66.7	-97.3	0	0	0	111.1	A23 Q24 H27 G40 V63 Q74 S75 Y76 F77	A23-Y61 WeakPolarHBondContact CA-OH 3.47Å; Q24-Y61 HydrophobicContact CB-CE1 4.48Å; Q24-Y61 HydrophobicContact CG-CE1 4.1Å; Q24-Y61 PolarHBondContact N-OH 2.95Å; Q24-Y61 VanDerWaalsContact N-OH 3.13Å; H27-Y61 AromaticContact NE2-CZ 3.76Å; H27-Y61 PolarHBondContact NE2-OH 3.08Å; G40-Y61 PolarHBondContact N-O 3.07Å; Y61-V63 HydrophobicContact CD2-CG2 3.85Å; Y61-V63 HydrophobicContact CE2-CG2 3.73Å; Y61-Q74 HydrophobicContact CD2-CG 4.01Å; Y61-Q74 HydrophobicContact CG-CG 4.18Å; Y61-S75 CarbonylContact C-O 3.56Å; Y61-S75 WeakPolarHBondContact CA-O 3.41Å; Y61-S75 WeakPolarHBondContact CB-O 3.32Å; Y61-Y76 HydrophobicContact CD1-CE1 4.41Å; Y61-F77 WeakPolarHBondContact O-CE1 3.17Å
62	A	95.4	Very high	95.1	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.008	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	134.7	164.5	0	0	0	0	0	108.3	L38 F39 Q74 S75 F77 W116	L38-A62 CarbonylContact O-C 3.52Å; L38-A62 VanDerWaalsContact O-CA 3.29Å; L38-A62 WeakPolarHBondContact O-CA 3.33Å; F39-A62 HydrophobicContact CD1-CB 3.66Å; F39-A62 HydrophobicContact CE1-CB 3.71Å; A62-Q74 WeakPolarHBondContact O-CA 3.48Å; A62-S75 PolarHBondContact N-O 2.83Å; A62-S75 PolarHBondContact O-N 2.94Å; A62-F77 HydrophobicContact CB-CD1 4.42Å; A62-F77 HydrophobicContact CB-CE1 4.27Å; A62-W116 HydrophobicContact CB-CH2 3.76Å; A62-W116 HydrophobicContact CB-CZ2 3.48Å; A62-W116 VanDerWaalsContact CB-CZ2 3.48Å
63	V	94.9	Very high	95.1	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	124.9	164.2	-176.9	0	0	0	0	107.3	V17 N18 Y37 L38 Y61 V65 Y72 T73 Q74	V17-V63 HydrophobicContact CG1-CG1 3.74Å; N18-V63 HydrophobicContact CB-CG2 4.24Å; Y37-V63 CarbonylContact C-O 3.55Å; Y37-V63 VanDerWaalsContact CA-O 3.32Å; Y37-V63 WeakPolarHBondContact CA-O 3.19Å; L38-V63 HydrophobicContact CB-CB 4.24Å; L38-V63 PolarHBondContact N-O 2.94Å; L38-V63 PolarHBondContact O-N 2.72Å; Y61-V63 HydrophobicContact CD2-CG2 3.85Å; Y61-V63 HydrophobicContact CE2-CG2 3.73Å; V63-V65 HydrophobicContact CG1-CG2 4.01Å; V63-Y72 HydrophobicContact CG1-CD2 3.92Å; V63-Y72 HydrophobicContact CG1-CG 4.19Å; V63-T73 CarbonylContact C-O 3.48Å; V63-T73 WeakPolarHBondContact CA-O 3.32Å; V63-Q74 HydrophobicContact CG2-CG 4.28Å
64	D	95.2	Very high	95.1	Very high	39 Å²	39	46.5 Å²	46.5	21%	0.209	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	112.8	173.9	173.8	7.1	0	0	0	107.9	H35 Y37 Y72 T73	H35-D64 IonicContact CE1-OD1 2.78Å; H35-D64 IonicContact CG-OD1 3.78Å; H35-D64 IonicContact ND1-OD1 2.72Å; H35-D64 PolarHBondContact ND1-OD1 3.33Å; H35-D64 IonicContact ND1-OD2 3.33Å; Y37-D64 HydrophobicContact CD1-CB 3.98Å; Y37-D64 HydrophobicContact CE1-CB 3.76Å; Y37-D64 VanDerWaalsContact CE1-CG 3.46Å; D64-Y72 CarbonylContact O-C 3.58Å; D64-Y72 WeakPolarHBondContact O-CA 3.29Å; D64-T73 PolarHBondContact N-O 2.94Å; D64-T73 PolarHBondContact O-N 2.98Å
65	V	96	Very high	94.9	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.006	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	111.8	178.7	-172.8	0	0	0	0	110.1	L14 V17 H35 V36 V63 L67 L327	L14-V65 HydrophobicContact CD1-CG1 3.43Å; L14-V65 VanDerWaalsContact CD1-CG1 3.43Å; V17-V65 HydrophobicContact CG1-CG2 3.42Å; V17-V65 VanDerWaalsContact CG1-CG2 3.42Å; H35-V65 CarbonylContact C-O 3.58Å; H35-V65 WeakPolarHBondContact CA-O 3.13Å; H35-V65 WeakPolarHBondContact CB-O 3.45Å; V36-V65 HydrophobicContact CB-CB 4.29Å; V36-V65 PolarHBondContact N-O 3.13Å; V36-V65 VanDerWaalsContact O-CB 3.3Å; V36-V65 WeakPolarHBondContact O-CB 3.3Å; V36-V65 WeakPolarHBondContact O-CG2 3.38Å; V36-V65 PolarHBondContact O-N 3.42Å; V63-V65 HydrophobicContact CG1-CG2 4.01Å; V65-L67 HydrophobicContact CG1-CD2 4.41Å; V65-L67 PolarHBondContact O-N 2.89Å; V65-L327 HydrophobicContact CG1-CD2 3.87Å
66	D	96.2	Very high	94.8	Very high	29 Å²	29	49.8 Å²	49.8	16%	0.155	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	109.3	171.5	-179.3	-30.6	0	0	0	109.3	K68 N69 K70 T71	D66-K68 VanDerWaalsContact C-N 3.31Å; D66-K68 PolarHBondContact O-N 3.03Å; D66-K68 WeakPolarHBondContact OD1-CA 3.25Å; D66-K68 WeakPolarHBondContact OD1-CB 3.37Å; D66-K68 PolarHBondContact OD1-N 3.41Å; D66-N69 HydrophobicContact CB-CB 4.44Å; D66-N69 PolarHBondContact OD1-N 2.8Å; D66-N69 PolarHBondContact OD2-ND2 3.32Å; D66-K70 WeakPolarHBondContact O-CA 3.19Å; D66-K70 PolarHBondContact O-N 3.07Å; D66-T71 PolarHBondContact N-O 3Å; D66-T71 PolarHBondContact O-N 2.9Å
67	L	96.6	Very high	94.7	Very high	22 Å²	22	50.6 Å²	50.6	12%	0.115	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-27.4	-176	-58.8	176.3	0	0	0	112.9	L13 Y31 G34 V36 V65 Y319 L327	L13-L67 HydrophobicContact CD1-CD2 3.91Å; Y31-L67 HydrophobicContact CD2-CD1 4.11Å; Y31-L67 HydrophobicContact CE2-CD1 3.75Å; G34-L67 VanDerWaalsContact O-CB 3.23Å; G34-L67 WeakPolarHBondContact O-CB 3.36Å; G34-L67 WeakPolarHBondContact O-CD1 3.47Å; G34-L67 WeakPolarHBondContact O-CG 3.45Å; G34-L67 PolarHBondContact O-N 3.04Å; V36-L67 HydrophobicContact CB-CD2 4.44Å; V36-L67 HydrophobicContact CG2-CD1 4.21Å; V36-L67 HydrophobicContact CG2-CD2 3.93Å; V36-L67 HydrophobicContact CG2-CG 4.41Å; V65-L67 HydrophobicContact CG1-CD2 4.41Å; V65-L67 PolarHBondContact O-N 2.89Å; L67-Y319 HydrophobicContact CD1-CE1 3.62Å; L67-Y319 HydrophobicContact CD1-CE2 4.5Å; L67-Y319 WeakPolarHBondContact CD1-OH 3.34Å; L67-Y319 HydrophobicContact CD2-CD1 4.43Å; L67-Y319 HydrophobicContact CD2-CE1 4.03Å; L67-Y319 HydrophobicContact CG-CE1 4.49Å; L67-L327 HydrophobicContact CD2-CD2 3.54Å
68	K	95.7	Very high	94.6	Very high	185 Å²	185	55.5 Å²	55.5	80%	0.804	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-48.3	-178.8	178.1	-177.5	176.3	-177.6	0	110.4	D66 K70	D66-K68 VanDerWaalsContact C-N 3.31Å; D66-K68 PolarHBondContact O-N 3.03Å; D66-K68 WeakPolarHBondContact OD1-CA 3.25Å; D66-K68 WeakPolarHBondContact OD1-CB 3.37Å; D66-K68 PolarHBondContact OD1-N 3.41Å; K68-K70 VanDerWaalsContact C-N 3.33Å
69	N	95.8	Very high	94.6	Very high	103 Å²	103	55.4 Å²	55.4	55%	0.551	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-11.4	-178.7	-66.6	-40.2	0	0	0	112.7	D66 T71	D66-N69 HydrophobicContact CB-CB 4.44Å; D66-N69 PolarHBondContact OD1-N 2.8Å; D66-N69 PolarHBondContact OD2-ND2 3.32Å; N69-T71 VanDerWaalsContact C-N 3.3Å; N69-T71 HydrophobicContact CB-CG2 4.43Å; N69-T71 PolarHBondContact O-N 2.91Å
70	K	93.2	Very high	94.7	Very high	100 Å²	100	57.6 Å²	57.6	44%	0.435	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.2	50.7	-175.8	-57.8	-174.6	174.8	-163.1	0	110.4	E11 L14 D66 K68	E11-K70 IonicContact OE1-NZ 3.49Å; L14-K70 HydrophobicContact CD2-CB 3.97Å; L14-K70 VanDerWaalsContact CD2-O 3.28Å; L14-K70 WeakPolarHBondContact CD2-O 3.46Å; D66-K70 WeakPolarHBondContact O-CA 3.19Å; D66-K70 PolarHBondContact O-N 3.07Å; K68-K70 VanDerWaalsContact C-N 3.33Å
71	T	92.8	Very high	94.7	Very high	72 Å²	72	58.6 Å²	58.6	44%	0.442	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	162	178.2	52.8	0	0	0	0	109.8	D66 N69	D66-T71 PolarHBondContact N-O 3Å; D66-T71 PolarHBondContact O-N 2.9Å; N69-T71 VanDerWaalsContact C-N 3.3Å; N69-T71 HydrophobicContact CB-CG2 4.43Å; N69-T71 PolarHBondContact O-N 2.91Å
72	Y	92.5	Very high	94.7	Very high	97 Å²	97	66.4 Å²	66.4	38%	0.38	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	153.5	171.4	68.4	-92.6	0	0	0	111.3	V17 V63 D64	V17-Y72 WeakPolarHBondContact O-CD2 3.22Å; V17-Y72 WeakPolarHBondContact O-CE2 3.47Å; V17-Y72 VanDerWaalsContact O-CZ 3.3Å; V63-Y72 HydrophobicContact CG1-CD2 3.92Å; V63-Y72 HydrophobicContact CG1-CG 4.19Å; D64-Y72 CarbonylContact O-C 3.58Å; D64-Y72 WeakPolarHBondContact O-CA 3.29Å
73	T	92.6	Very high	94.6	Very high	83 Å²	83	69.7 Å²	69.7	51%	0.509	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	149.5	169.4	66.4	0	0	0	0	109.8	V63 D64	V63-T73 CarbonylContact C-O 3.48Å; V63-T73 WeakPolarHBondContact CA-O 3.32Å; D64-T73 PolarHBondContact N-O 2.94Å; D64-T73 PolarHBondContact O-N 2.98Å
74	Q	92.3	Very high	94.4	Very high	57 Å²	57	72.1 Å²	72.1	27%	0.266	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	130.8	175.7	-171.3	-177.9	-76.9	0	0	109.7	N18 Y61 A62 V63 Y76	N18-Q74 PolarHBondContact ND2-OE1 2.87Å; Y61-Q74 HydrophobicContact CD2-CG 4.01Å; Y61-Q74 HydrophobicContact CG-CG 4.18Å; A62-Q74 WeakPolarHBondContact O-CA 3.48Å; V63-Q74 HydrophobicContact CG2-CG 4.28Å; Q74-Y76 VanDerWaalsContact NE2-CE2 3.27Å; Q74-Y76 PolarHBondContact NE2-OH 3.23Å
75	S	92.7	Very high	94.2	Very high	37 Å²	37	70.9 Å²	70.9	26%	0.259	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	142.9	174.3	55.9	0	0	0	0	110	Y61 A62	Y61-S75 CarbonylContact C-O 3.56Å; Y61-S75 WeakPolarHBondContact CA-O 3.41Å; Y61-S75 WeakPolarHBondContact CB-O 3.32Å; A62-S75 PolarHBondContact N-O 2.83Å; A62-S75 PolarHBondContact O-N 2.94Å
76	Y	94.5	Very high	94.1	Very high	151 Å²	151	72 Å²	72	59%	0.592	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.1	143.4	176.5	-70.7	-90.9	0	0	0	110.1	S60 Y61 Q74	S60-Y76 WeakPolarHBondContact O-CA 3.48Å; Y61-Y76 HydrophobicContact CD1-CE1 4.41Å; Q74-Y76 VanDerWaalsContact NE2-CE2 3.27Å; Q74-Y76 PolarHBondContact NE2-OH 3.23Å
77	F	94.8	Very high	94.1	Very high	18 Å²	18	72.7 Å²	72.7	8%	0.079	37%	0.365	C	S	.	.			trans	-131.7	149.2	177.9	61.6	-94.2	0	0	0	111.7	F39 I56 G59 S60 Y61 A62 W116 W121	F39-F77 HydrophobicContact CD1-CE1 4.22Å; I56-F77 HydrophobicContact CB-CE2 4.35Å; I56-F77 HydrophobicContact CB-CZ 4.1Å; I56-F77 WeakPolarHBondContact O-CE2 3.24Å; G59-F77 CarbonylContact C-O 3.56Å; G59-F77 VanDerWaalsContact CA-O 3.28Å; G59-F77 WeakPolarHBondContact CA-O 3.1Å; S60-F77 PolarHBondContact N-O 3.33Å; S60-F77 VanDerWaalsContact N-O 3.11Å; S60-F77 PolarHBondContact O-N 2.8Å; Y61-F77 WeakPolarHBondContact O-CE1 3.17Å; A62-F77 HydrophobicContact CB-CD1 4.42Å; A62-F77 HydrophobicContact CB-CE1 4.27Å; F77-W116 HydrophobicContact CB-CH2 4.21Å; F77-W116 HydrophobicContact CB-CZ3 4.17Å; F77-W116 AromaticContact CD1-CH2 3.7Å; F77-W116 HydrophobicContact CD1-CH2 3.7Å; F77-W116 AromaticContact CD1-CZ3 3.86Å; F77-W116 HydrophobicContact CD1-CZ3 3.86Å; F77-W116 HydrophobicContact CE1-CH2 4.42Å; F77-W116 HydrophobicContact CE1-CZ3 4.46Å; F77-W116 HydrophobicContact CG-CH2 4.21Å; F77-W116 HydrophobicContact CG-CZ3 4.06Å; F77-W121 AromaticContact CD2-CD1 3.84Å; F77-W121 AromaticContact CD2-NE1 3.96Å; F77-W121 AromaticContact CE2-NE1 3.75Å; F77-W121 AromaticContact CZ-NE1 3.92Å
78	S	95.4	Very high	94.2	Very high	104 Å²	104	72.1 Å²	72.1	73%	0.727	36%	0.362	S	S	*	.			trans	-74.3	162.2	-177.4	-62.6	0	0	0	0	112.7	G59	G59-S78 WeakPolarHBondContact CA-O 3.25Å
79	S	96.2	Very high	94.3	Very high	48 Å²	48	65.6 Å²	65.6	34%	0.336	33%	0.332	S	S	.	.			trans	-60.1	140.2	171.8	-179.4	0	0	0	0	111.4	L57 L58	L57-S79 CarbonylContact O-C 3.6Å; L57-S79 WeakPolarHBondContact O-CA 3.32Å; L57-S79 PolarHBondContact O-OG 2.86Å; L58-S79 WeakPolarHBondContact O-CB 3.49Å
80	I	96.7	Very high	94.4	Very high	49 Å²	49	60.8 Å²	60.8	25%	0.251	31%	0.306	S	S	.	.			trans	-104.8	-50.8	-177.9	-55.4	166.3	0	0	0	109.6	L57 M99 Y114 W121	L57-I80 HydrophobicContact CD2-CB 4.43Å; L57-I80 HydrophobicContact CD2-CD1 4.46Å; L57-I80 PolarHBondContact O-N 2.86Å; I80-M99 HydrophobicContact CD1-CE 3.62Å; I80-Y114 HydrophobicContact CG2-CD1 4.45Å; I80-Y114 HydrophobicContact CG2-CE1 3.74Å; I80-Y114 HydrophobicContact CG2-CE2 4.12Å; I80-W121 HydrophobicContact CD1-CB 3.79Å; I80-W121 HydrophobicContact CD1-CD2 4.5Å; I80-W121 HydrophobicContact CD1-CG 3.6Å; I80-W121 HydrophobicContact CG1-CB 4.5Å
81	D	95	Very high	94.6	Very high	29 Å²	29	56.1 Å²	56.1	16%	0.155	29%	0.286	C	S	.	.			trans	-144.5	139.2	-178.6	-168.1	-12.1	0	0	0	109.9	L57 T83 R86	L57-D81 CarbonylContact C-O 3.47Å; L57-D81 HydrophobicContact CB-CB 4.45Å; L57-D81 WeakPolarHBondContact CB-O 3.38Å; L57-D81 PolarHBondContact O-N 2.91Å; L57-D81 VanDerWaalsContact O-O 3.13Å; D81-T83 WeakPolarHBondContact OD1-CB 3.49Å; D81-T83 PolarHBondContact OD1-N 2.85Å; D81-T83 PolarHBondContact OD1-OG1 2.93Å; D81-R86 WeakPolarHBondContact OD2-CG 3.21Å; D81-R86 IonicContact OD2-CZ 2.8Å; D81-R86 IonicContact OD2-NE 3.57Å; D81-R86 IonicContact OD2-NH1 3.92Å
82	K	93.8	Very high	94.8	Very high	170 Å²	170	53.3 Å²	53.3	74%	0.739	27%	0.27	S	S	*	.			trans	-112.6	3.5	179.2	-61.4	-177.9	-178.3	177.7	0	112.9	L58 E84	L58-K82 HydrophobicContact CD2-CB 4.36Å; L58-K82 HydrophobicContact CD2-CG 4.03Å; K82-E84 PolarHBondContact O-N 3.26Å
83	T	93.6	Very high	95	Very high	70 Å²	70	48.8 Å²	48.8	43%	0.429	25%	0.252	S	S	.	.			trans	-62.8	133.2	-179.8	-56.7	0	0	0	0	110.3	K53 D81 D85 R86	K53-T83 PolarHBondContact NZ-O 2.87Å; D81-T83 WeakPolarHBondContact OD1-CB 3.49Å; D81-T83 PolarHBondContact OD1-N 2.85Å; D81-T83 PolarHBondContact OD1-OG1 2.93Å; T83-D85 PolarHBondContact O-N 2.86Å; T83-R86 PolarHBondContact O-N 2.81Å
84	E	91	Very high	95	Very high	50 Å²	50	49.7 Å²	49.7	23%	0.234	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-45.7	-171.3	-165.9	-177.8	135.6	0	0	112.4	Q46 S47 Q48 Y49 K53 K82 R86	Q46-E84 VanDerWaalsContact CA-CD 3.48Å; Q46-E84 WeakPolarHBondContact CA-OE1 3.27Å; Q46-E84 HydrophobicContact CB-CG 3.79Å; Q46-E84 WeakPolarHBondContact CB-OE1 3.36Å; Q46-E84 HydrophobicContact CG-CG 3.95Å; Q46-E84 PolarHBondContact NE2-O 3Å; S47-E84 PolarHBondContact N-OE1 3.47Å; Q48-E84 WeakPolarHBondContact CA-OE1 3.17Å; Q48-E84 VanDerWaalsContact CB-OE1 3.29Å; Q48-E84 WeakPolarHBondContact CB-OE1 3.43Å; Q48-E84 PolarHBondContact N-OE1 3.14Å; Q48-E84 PolarHBondContact N-OE2 3.3Å; Y49-E84 HydrophobicContact CD2-CG 4.25Å; Y49-E84 WeakPolarHBondContact CD2-OE1 3.46Å; Y49-E84 HydrophobicContact CE2-CB 4.41Å; Y49-E84 HydrophobicContact CE2-CG 4.3Å; Y49-E84 PolarHBondContact N-OE1 3.26Å; K53-E84 WeakPolarHBondContact CE-O 3.46Å; K53-E84 PolarHBondContact NZ-O 3.5Å; K82-E84 PolarHBondContact O-N 3.26Å; E84-R86 VanDerWaalsContact C-N 3.28Å; E84-R86 PolarHBondContact O-N 2.97Å
85	D	90.8	Very high	95.1	Very high	13 Å²	13	50.2 Å²	50.2	7%	0.07	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	1.4	178.3	176.1	43.3	0	0	0	113.7	Y49 T83 K87 S103 E104 Y105	Y49-D85 HydrophobicContact CE2-CB 3.69Å; T83-D85 PolarHBondContact O-N 2.86Å; D85-K87 PolarHBondContact O-N 2.81Å; D85-S103 WeakPolarHBondContact OD2-CB 3.44Å; D85-S103 PolarHBondContact OD2-OG 3.38Å; D85-E104 PolarHBondContact OD1-N 2.92Å; D85-Y105 HydrophobicContact CB-CD2 4.29Å; D85-Y105 WeakPolarHBondContact OD1-CB 3Å; D85-Y105 WeakPolarHBondContact OD1-CD2 3.44Å; D85-Y105 PolarHBondContact OD1-N 3.35Å; D85-Y105 VanDerWaalsContact OD2-O 3.13Å
86	R	94.5	Very high	95.2	Very high	24 Å²	24	53.3 Å²	53.3	9%	0.091	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	123.3	177.2	-162.8	60	56.3	102.5	-1.3	112	K53 L57 D81 T83 E84 T101 Y102 H111 D112	K53-R86 PolarHBondContact NZ-O 3.18Å; L57-R86 HydrophobicContact CD1-CB 3.94Å; L57-R86 HydrophobicContact CD1-CG 3.51Å; D81-R86 WeakPolarHBondContact OD2-CG 3.21Å; D81-R86 IonicContact OD2-CZ 2.8Å; D81-R86 IonicContact OD2-NE 3.57Å; D81-R86 IonicContact OD2-NH1 3.92Å; T83-R86 PolarHBondContact O-N 2.81Å; E84-R86 VanDerWaalsContact C-N 3.28Å; E84-R86 PolarHBondContact O-N 2.97Å; R86-T101 PolarHBondContact NH1-OG1 3.16Å; R86-T101 VanDerWaalsContact NH1-OG1 3.08Å; R86-Y102 WeakPolarHBondContact CD-O 3.46Å; R86-H111 VanDerWaalsContact CZ-CB 3.41Å; R86-H111 PolarHBondContact NE-CD2 3.05Å; R86-H111 PolarHBondContact NH1-CD2 2.57Å; R86-H111 PolarHBondContact NH2-CD2 3.17Å; R86-H111 VanDerWaalsContact NH2-CD2 3.34Å; R86-H111 PolarHBondContact NH2-CE1 2.91Å; R86-H111 VanDerWaalsContact NH2-CE1 3.34Å; R86-H111 PolarHBondContact NH2-ND1 2.89Å; R86-H111 VanDerWaalsContact NH2-ND1 3.16Å; R86-H111 PolarHBondContact NH2-NE2 2.92Å; R86-D112 IonicContact NH1-OD2 3.71Å; R86-D112 PolarHBondContact NH1-OD2 2.92Å
87	K	95.6	Very high	95.4	Very high	44 Å²	44	46.4 Å²	46.4	19%	0.191	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	172	171.2	-64.8	-170.2	179.2	-175.4	0	110.6	D85 T101 Y102 E104	D85-K87 PolarHBondContact O-N 2.81Å; K87-T101 CarbonylContact O-C 3.47Å; K87-T101 WeakPolarHBondContact O-CA 3.18Å; K87-T101 WeakPolarHBondContact O-CB 3.36Å; K87-Y102 HydrophobicContact CB-CD1 4.28Å; K87-Y102 HydrophobicContact CB-CD2 4.48Å; K87-Y102 HydrophobicContact CB-CE1 3.78Å; K87-Y102 HydrophobicContact CB-CE2 4.02Å; K87-Y102 HydrophobicContact CD-CE2 4.48Å; K87-Y102 PolarHBondContact N-O 2.82Å; K87-Y102 PolarHBondContact O-N 2.99Å; K87-E104 HydrophobicContact CD-CG 4.2Å; K87-E104 WeakPolarHBondContact CD-OE2 3.31Å; K87-E104 WeakPolarHBondContact CE-OE2 3.28Å; K87-E104 IonicContact NZ-OE2 2.65Å; K87-E104 PolarHBondContact NZ-OE2 3.47Å
88	E	98	Very high	95.5	Very high	11 Å²	11	46 Å²	46	5%	0.051	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	155	-176.9	74.4	-81.3	-163	0	0	113.5	H28 T55 I56 L57 M99 V100 T101	H28-E88 IonicContact NE2-OE1 3.75Å; T55-E88 WeakPolarHBondContact CA-OE1 3.35Å; T55-E88 WeakPolarHBondContact CB-OE1 3.29Å; T55-E88 PolarHBondContact OG1-OE1 2.8Å; T55-E88 PolarHBondContact OG1-OE2 2.88Å; I56-E88 HydrophobicContact CD1-CG 4.47Å; I56-E88 HydrophobicContact CG1-CG 3.9Å; I56-E88 WeakPolarHBondContact CG1-OE1 3.25Å; I56-E88 PolarHBondContact N-OE1 2.93Å; L57-E88 HydrophobicContact CD1-CB 4.49Å; L57-E88 HydrophobicContact CD2-CB 4.41Å; L57-E88 HydrophobicContact CG-CB 4.46Å; E88-M99 HydrophobicContact CB-CG 3.85Å; E88-M99 HydrophobicContact CB-SD 3.95Å; E88-M99 HydrophobicContact CG-CG 4.36Å; E88-M99 HydrophobicContact CG-SD 4.14Å; E88-V100 WeakPolarHBondContact CA-O 3.42Å; E88-T101 HydrophobicContact CB-CG2 4.44Å
89	Y	98.1	Very high	95.7	Very high	48 Å²	48	41.1 Å²	41.1	19%	0.188	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	140.2	158.5	-74.6	-53.2	0	0	0	109.4	M99 V100 Y102 L145 Y147	Y89-M99 CarbonylContact O-C 3.56Å; Y89-M99 VanDerWaalsContact O-CA 3.26Å; Y89-M99 WeakPolarHBondContact O-CA 3.42Å; Y89-V100 PolarHBondContact N-O 3.07Å; Y89-V100 PolarHBondContact O-N 3.44Å; Y89-Y102 HydrophobicContact CD2-CD1 4.42Å; Y89-Y102 AromaticContact CD2-CE1 3.68Å; Y89-Y102 HydrophobicContact CD2-CE1 3.68Å; Y89-Y102 AromaticContact CE2-CE1 3.83Å; Y89-Y102 HydrophobicContact CE2-CE1 3.83Å; Y89-Y102 AromaticContact CE2-CZ 3.79Å; Y89-Y102 HydrophobicContact CG-CE1 4.24Å; Y89-L145 HydrophobicContact CD2-CD2 3.75Å; Y89-L145 HydrophobicContact CD2-CG 4.23Å; Y89-L145 HydrophobicContact CE2-CB 3.89Å; Y89-L145 HydrophobicContact CE2-CD2 3.7Å; Y89-L145 HydrophobicContact CE2-CG 3.7Å; Y89-L145 PolarHBondContact OH-O 2.88Å; Y89-Y147 AromaticContact CD1-CD1 3.44Å; Y89-Y147 HydrophobicContact CD1-CD1 3.44Å; Y89-Y147 VanDerWaalsContact CD1-CD1 3.44Å; Y89-Y147 AromaticContact CD1-CE1 3.4Å; Y89-Y147 HydrophobicContact CD1-CE1 3.4Å; Y89-Y147 VanDerWaalsContact CD1-CE1 3.4Å; Y89-Y147 AromaticContact CD2-CD1 3.58Å; Y89-Y147 HydrophobicContact CD2-CD1 3.58Å; Y89-Y147 HydrophobicContact CD2-CE1 4.36Å; Y89-Y147 HydrophobicContact CD2-CG 4.14Å; Y89-Y147 AromaticContact CE1-CD1 3.76Å; Y89-Y147 HydrophobicContact CE1-CD1 3.76Å; Y89-Y147 AromaticContact CE1-CE1 3.9Å; Y89-Y147 HydrophobicContact CE1-CE1 3.9Å; Y89-Y147 AromaticContact CE2-CD1 3.87Å; Y89-Y147 HydrophobicContact CE2-CD1 3.87Å; Y89-Y147 AromaticContact CG-CD1 3.35Å; Y89-Y147 HydrophobicContact CG-CD1 3.35Å; Y89-Y147 AromaticContact CG-CE1 3.68Å; Y89-Y147 HydrophobicContact CG-CE1 3.68Å; Y89-Y147 HydrophobicContact CG-CG 4.14Å; Y89-Y147 AromaticContact CZ-CD1 3.96Å
90	V	98.4	Very high	95.8	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.006	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	131.3	174.4	-167.8	0	0	0	0	108.6	H28 V30 F39 I56 I97 Y98 M99 W121 Y147	H28-V90 HydrophobicContact CB-CB 4.01Å; H28-V90 HydrophobicContact CB-CG2 4.07Å; H28-V90 VanDerWaalsContact CD2-CG2 3.47Å; H28-V90 WeakPolarHBondContact CD2-CG2 3.13Å; V30-V90 HydrophobicContact CG2-CB 4.26Å; V30-V90 HydrophobicContact CG2-CG1 3.85Å; F39-V90 HydrophobicContact CD2-CG1 4.15Å; F39-V90 HydrophobicContact CE2-CG1 3.98Å; I56-V90 HydrophobicContact CD1-CG2 3.65Å; V90-I97 HydrophobicContact CG1-CG2 3.65Å; V90-Y98 VanDerWaalsContact CA-O 3.28Å; V90-Y98 WeakPolarHBondContact CA-O 3.45Å; V90-Y98 WeakPolarHBondContact CG1-O 3.37Å; V90-M99 HydrophobicContact CG2-CB 4.26Å; V90-M99 HydrophobicContact CG2-CG 4.12Å; V90-W121 HydrophobicContact CG1-CH2 3.76Å; V90-W121 HydrophobicContact CG1-CZ2 4.46Å; V90-W121 HydrophobicContact CG2-CH2 4.49Å; V90-Y147 PolarHBondContact O-OH 2.94Å
91	F	98	Very high	95.9	Very high	3 Å²	3	36.5 Å²	36.5	1%	0.013	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	165.2	-176.8	51.2	-98.4	0	0	0	110.5	V93 Y98 V100 L113 Y147 V149 V155 F157 L171	F91-V93 HydrophobicContact CD2-CG2 4.07Å; F91-V93 HydrophobicContact CE2-CG2 4.28Å; F91-Y98 HydrophobicContact CE2-CD2 4.49Å; F91-Y98 HydrophobicContact CE2-CG 4.3Å; F91-Y98 PolarHBondContact N-O 3.11Å; F91-Y98 PolarHBondContact O-N 2.77Å; F91-V100 HydrophobicContact CE1-CB 4.13Å; F91-V100 HydrophobicContact CE1-CG1 3.82Å; F91-V100 HydrophobicContact CZ-CB 4.39Å; F91-L113 HydrophobicContact CZ-CD1 4.46Å; F91-Y147 HydrophobicContact CB-CD2 4.4Å; F91-Y147 HydrophobicContact CB-CE2 3.68Å; F91-Y147 HydrophobicContact CD1-CD2 4.18Å; F91-Y147 HydrophobicContact CD1-CE2 4.13Å; F91-Y147 HydrophobicContact CG-CE2 4.25Å; F91-V149 HydrophobicContact CB-CG2 3.88Å; F91-V155 HydrophobicContact CD2-CG2 3.58Å; F91-V155 HydrophobicContact CE1-CG2 4.49Å; F91-V155 HydrophobicContact CE2-CG2 3.47Å; F91-V155 VanDerWaalsContact CE2-CG2 3.47Å; F91-V155 HydrophobicContact CG-CG2 4.17Å; F91-V155 HydrophobicContact CZ-CG2 3.97Å; F91-F157 HydrophobicContact CE1-CE1 4.46Å; F91-F157 AromaticContact CE1-CZ 3.97Å; F91-F157 HydrophobicContact CE1-CZ 3.97Å; F91-F157 HydrophobicContact CZ-CZ 4.23Å; F91-L171 HydrophobicContact CE2-CD2 3.77Å; F91-L171 HydrophobicContact CZ-CD2 3.52Å
92	A	97.1	Very high	96	Very high	13 Å²	13	35.5 Å²	35.5	11%	0.107	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	143.1	171.9	0	0	0	0	0	111.6	V30 Y31 A32 E96	V30-A92 HydrophobicContact CG1-CB 3.46Å; V30-A92 VanDerWaalsContact CG1-CB 3.46Å; Y31-A92 WeakPolarHBondContact O-CB 3.24Å; A32-A92 HydrophobicContact CB-CB 4.2Å; A92-E96 CarbonylContact C-O 3.49Å; A92-E96 WeakPolarHBondContact CA-O 3.4Å
93	V	95.6	Very high	95.9	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.006	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	130.2	170.4	175.8	0	0	0	0	106.6	F91 D95 E96 Y98 V149 N152 D153 V155 I173	F91-V93 HydrophobicContact CD2-CG2 4.07Å; F91-V93 HydrophobicContact CE2-CG2 4.28Å; V93-D95 PolarHBondContact O-N 2.8Å; V93-E96 PolarHBondContact N-O 3.15Å; V93-E96 PolarHBondContact O-N 3.3Å; V93-Y98 HydrophobicContact CB-CD2 4.41Å; V93-Y98 HydrophobicContact CB-CE2 4.35Å; V93-V149 HydrophobicContact CG2-CG1 4.47Å; V93-N152 WeakPolarHBondContact CG1-O 3.39Å; V93-D153 WeakPolarHBondContact CG1-O 3.45Å; V93-V155 HydrophobicContact CG2-CG2 3.76Å; V93-I173 HydrophobicContact CG1-CG1 4.43Å
94	H	93.2	Very high	95.8	Very high	103 Å²	103	25.3 Å²	25.3	48%	0.477	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	42.3	-176.1	-55.9	134.2	0	0	0	113.6	E96 N152 D153	H94-E96 PolarHBondContact O-N 2.93Å; H94-N152 PolarHBondContact CD2-O 3.13Å; H94-N152 PolarHBondContact N-O 2.91Å; H94-N152 VanDerWaalsContact N-O 3.11Å; H94-N152 PolarHBondContact N-OD1 3.29Å; H94-N152 PolarHBondContact NE2-O 3.37Å; H94-D153 IonicContact CE1-OD1 3.64Å; H94-D153 IonicContact NE2-OD1 3.76Å
95	D	93.5	Very high	95.6	Very high	68 Å²	68	24.8 Å²	24.8	36%	0.364	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	61	12.8	-178.9	-64.9	-55.2	0	0	0	115.1	A32 D33 V93	A32-D95 WeakPolarHBondContact CB-O 3.41Å; D33-D95 HydrophobicContact CB-CB 4.02Å; D33-D95 PolarHBondContact N-OD1 2.9Å; V93-D95 PolarHBondContact O-N 2.8Å
96	E	96	Very high	94.9	Very high	101 Å²	101	28.2 Å²	28.2	47%	0.472	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	138.6	171	-68.3	-173.4	163.2	0	0	110.6	A92 V93 H94 Y98	A92-E96 CarbonylContact C-O 3.49Å; A92-E96 WeakPolarHBondContact CA-O 3.4Å; V93-E96 PolarHBondContact N-O 3.15Å; V93-E96 PolarHBondContact O-N 3.3Å; H94-E96 PolarHBondContact O-N 2.93Å; E96-Y98 HydrophobicContact CB-CD2 4.36Å; E96-Y98 HydrophobicContact CB-CE2 3.55Å; E96-Y98 VanDerWaalsContact O-CD2 3.28Å; E96-Y98 WeakPolarHBondContact O-CD2 3.31Å; E96-Y98 PolarHBondContact OE2-OH 3.35Å
97	I	98	Very high	94.3	Very high	7 Å²	7	30.9 Å²	30.9	4%	0.036	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	126.1	-177.2	-54.4	169.4	0	0	0	109.5	V30 A32 Y37 F39 V90 T115 W116 W121	V30-I97 HydrophobicContact CG1-CG1 4.17Å; V30-I97 HydrophobicContact CG1-CG2 4.38Å; A32-I97 HydrophobicContact CB-CD1 4.11Å; A32-I97 HydrophobicContact CB-CG1 3.67Å; Y37-I97 HydrophobicContact CD1-CD1 3.87Å; Y37-I97 HydrophobicContact CD2-CD1 3.29Å; Y37-I97 HydrophobicContact CD2-CG1 4.46Å; Y37-I97 HydrophobicContact CE1-CD1 4.16Å; Y37-I97 HydrophobicContact CE2-CD1 3.6Å; Y37-I97 HydrophobicContact CG-CD1 3.41Å; Y37-I97 VanDerWaalsContact CG-CD1 3.41Å; F39-I97 HydrophobicContact CE2-CG2 4.13Å; F39-I97 HydrophobicContact CZ-CD1 4.24Å; F39-I97 HydrophobicContact CZ-CG2 4.11Å; V90-I97 HydrophobicContact CG1-CG2 3.65Å; I97-T115 CarbonylContact O-C 3.55Å; I97-T115 VanDerWaalsContact O-CA 3.32Å; I97-T115 WeakPolarHBondContact O-CA 3.49Å; I97-T115 PolarHBondContact O-OG1 2.79Å; I97-W116 HydrophobicContact CB-CB 4.03Å; I97-W116 HydrophobicContact CG2-CB 4.26Å; I97-W116 PolarHBondContact O-N 2.84Å; I97-W121 HydrophobicContact CG2-CH2 3.98Å; I97-W121 HydrophobicContact CG2-CZ3 4.34Å
98	Y	98.4	Very high	94	Very high	10 Å²	10	28.9 Å²	28.9	4%	0.039	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	151.5	179	-66.3	-86.5	0	0	0	111.4	V90 F91 V93 E96 L113 Y114 V124 I173	V90-Y98 VanDerWaalsContact CA-O 3.28Å; V90-Y98 WeakPolarHBondContact CA-O 3.45Å; V90-Y98 WeakPolarHBondContact CG1-O 3.37Å; F91-Y98 HydrophobicContact CE2-CD2 4.49Å; F91-Y98 HydrophobicContact CE2-CG 4.3Å; F91-Y98 PolarHBondContact N-O 3.11Å; F91-Y98 PolarHBondContact O-N 2.77Å; V93-Y98 HydrophobicContact CB-CD2 4.41Å; V93-Y98 HydrophobicContact CB-CE2 4.35Å; E96-Y98 HydrophobicContact CB-CD2 4.36Å; E96-Y98 HydrophobicContact CB-CE2 3.55Å; E96-Y98 VanDerWaalsContact O-CD2 3.28Å; E96-Y98 WeakPolarHBondContact O-CD2 3.31Å; E96-Y98 PolarHBondContact OE2-OH 3.35Å; Y98-L113 HydrophobicContact CD1-CD1 4.26Å; Y98-L113 HydrophobicContact CD1-CD2 4.17Å; Y98-L113 HydrophobicContact CD1-CG 4.22Å; Y98-Y114 CarbonylContact C-O 3.53Å; Y98-Y114 WeakPolarHBondContact CA-O 3.41Å; Y98-V124 HydrophobicContact CE1-CG2 4.31Å; Y98-I173 HydrophobicContact CD1-CD1 4.45Å; Y98-I173 HydrophobicContact CE1-CD1 4.04Å; Y98-I173 HydrophobicContact CE2-CD1 4.45Å; Y98-I173 HydrophobicContact CE2-CG1 4.35Å
99	M	98.5	Very high	93.8	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	116.7	167.9	178.3	-172.8	65.1	0	0	109.1	I56 L57 I80 E88 Y89 V90 T101 L113 Y114 W121	I56-M99 HydrophobicContact CD1-CG 4.34Å; I56-M99 HydrophobicContact CD1-SD 3.34Å; I56-M99 WeakPolarHBondContact CD1-SD 3.45Å; I56-M99 HydrophobicContact CG1-SD 3.74Å; L57-M99 HydrophobicContact CD2-CE 3.69Å; L57-M99 HydrophobicContact CD2-SD 3.66Å; I80-M99 HydrophobicContact CD1-CE 3.62Å; E88-M99 HydrophobicContact CB-CG 3.85Å; E88-M99 HydrophobicContact CB-SD 3.95Å; E88-M99 HydrophobicContact CG-CG 4.36Å; E88-M99 HydrophobicContact CG-SD 4.14Å; Y89-M99 CarbonylContact O-C 3.56Å; Y89-M99 VanDerWaalsContact O-CA 3.26Å; Y89-M99 WeakPolarHBondContact O-CA 3.42Å; V90-M99 HydrophobicContact CG2-CB 4.26Å; V90-M99 HydrophobicContact CG2-CG 4.12Å; M99-T101 HydrophobicContact CE-CG2 3.96Å; M99-T101 HydrophobicContact CG-CG2 4.42Å; M99-T101 HydrophobicContact SD-CG2 4.41Å; M99-L113 CarbonylContact O-C 3.58Å; M99-L113 WeakPolarHBondContact O-CA 3.35Å; M99-Y114 HydrophobicContact CE-CD2 3.27Å; M99-Y114 HydrophobicContact CE-CE2 3.84Å; M99-Y114 HydrophobicContact CE-CG 3.73Å; M99-Y114 PolarHBondContact N-O 2.95Å; M99-Y114 PolarHBondContact O-N 2.82Å; M99-W121 HydrophobicContact CB-CE3 3.96Å; M99-W121 HydrophobicContact CB-CH2 3.92Å; M99-W121 HydrophobicContact CB-CZ3 3.59Å; M99-W121 HydrophobicContact CE-CD2 4.41Å
100	V	98.6	Very high	93.7	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	139.4	168.4	73.6	0	0	0	0	109.1	E88 Y89 F91 F110 L113 F157 I180	E88-V100 WeakPolarHBondContact CA-O 3.42Å; Y89-V100 PolarHBondContact N-O 3.07Å; Y89-V100 PolarHBondContact O-N 3.44Å; F91-V100 HydrophobicContact CE1-CB 4.13Å; F91-V100 HydrophobicContact CE1-CG1 3.82Å; F91-V100 HydrophobicContact CZ-CB 4.39Å; V100-F110 HydrophobicContact CG2-CD1 3.79Å; V100-L113 HydrophobicContact CB-CD1 4.13Å; V100-F157 HydrophobicContact CB-CZ 4.37Å; V100-F157 HydrophobicContact CG1-CE1 4.02Å; V100-F157 HydrophobicContact CG1-CZ 3.75Å; V100-I180 HydrophobicContact CG2-CD1 4.36Å
101	T	98.3	Very high	93.7	Very high	1 Å²	1	30 Å²	30	1%	0.006	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	143.1	173.1	78.8	0	0	0	0	111.2	L57 R86 K87 E88 M99 H111 D112 Y114	L57-T101 HydrophobicContact CD2-CG2 3.86Å; R86-T101 PolarHBondContact NH1-OG1 3.16Å; R86-T101 VanDerWaalsContact NH1-OG1 3.08Å; K87-T101 CarbonylContact O-C 3.47Å; K87-T101 WeakPolarHBondContact O-CA 3.18Å; K87-T101 WeakPolarHBondContact O-CB 3.36Å; E88-T101 HydrophobicContact CB-CG2 4.44Å; M99-T101 HydrophobicContact CE-CG2 3.96Å; M99-T101 HydrophobicContact CG-CG2 4.42Å; M99-T101 HydrophobicContact SD-CG2 4.41Å; T101-H111 PolarHBondContact O-N 3.11Å; T101-D112 PolarHBondContact N-O 2.81Å; T101-D112 PolarHBondContact OG1-N 3.45Å; T101-Y114 HydrophobicContact CG2-CD2 4.13Å; T101-Y114 HydrophobicContact CG2-CE2 3.77Å
102	Y	96.4	Very high	93.7	Very high	8 Å²	8	32.8 Å²	32.8	3%	0.031	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	162.6	-170.5	69.3	-83	0	0	0	111.7	R86 K87 Y89 E104 T109 L145 F159	R86-Y102 WeakPolarHBondContact CD-O 3.46Å; K87-Y102 HydrophobicContact CB-CD1 4.28Å; K87-Y102 HydrophobicContact CB-CD2 4.48Å; K87-Y102 HydrophobicContact CB-CE1 3.78Å; K87-Y102 HydrophobicContact CB-CE2 4.02Å; K87-Y102 HydrophobicContact CD-CE2 4.48Å; K87-Y102 PolarHBondContact N-O 2.82Å; K87-Y102 PolarHBondContact O-N 2.99Å; Y89-Y102 HydrophobicContact CD2-CD1 4.42Å; Y89-Y102 AromaticContact CD2-CE1 3.68Å; Y89-Y102 HydrophobicContact CD2-CE1 3.68Å; Y89-Y102 AromaticContact CE2-CE1 3.83Å; Y89-Y102 HydrophobicContact CE2-CE1 3.83Å; Y89-Y102 AromaticContact CE2-CZ 3.79Å; Y89-Y102 HydrophobicContact CG-CE1 4.24Å; Y102-E104 HydrophobicContact CD2-CG 4Å; Y102-E104 HydrophobicContact CE2-CG 3.51Å; Y102-E104 WeakPolarHBondContact CE2-OE1 3.33Å; Y102-T109 CarbonylContact C-O 3.55Å; Y102-T109 VanDerWaalsContact CA-O 3.26Å; Y102-T109 WeakPolarHBondContact CA-O 3.24Å; Y102-T109 WeakPolarHBondContact CB-O 3.26Å; Y102-L145 HydrophobicContact CD1-CD2 3.65Å; Y102-L145 HydrophobicContact CD2-CB 3.88Å; Y102-L145 HydrophobicContact CD2-CD2 3.71Å; Y102-L145 HydrophobicContact CD2-CG 4.44Å; Y102-L145 HydrophobicContact CE1-CD2 3.83Å; Y102-L145 HydrophobicContact CE2-CB 3.43Å; Y102-L145 VanDerWaalsContact CE2-CB 3.43Å; Y102-L145 HydrophobicContact CE2-CD2 3.85Å; Y102-L145 HydrophobicContact CE2-CG 4.29Å; Y102-L145 HydrophobicContact CG-CD2 3.6Å; Y102-F159 HydrophobicContact CD2-CE1 4.02Å; Y102-F159 HydrophobicContact CD2-CZ 4.13Å
103	S	93.2	Very high	93.7	Very high	9 Å²	9	32.3 Å²	32.3	6%	0.063	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	146.5	175.3	-88	0	0	0	0	111.3	D85 M107 T109 H111	D85-S103 WeakPolarHBondContact OD2-CB 3.44Å; D85-S103 PolarHBondContact OD2-OG 3.38Å; S103-M107 WeakPolarHBondContact CB-O 3.15Å; S103-T109 PolarHBondContact N-O 3.42Å; S103-H111 VanDerWaalsContact CB-NE2 3.28Å; S103-H111 WeakPolarHBondContact CB-NE2 3.22Å; S103-H111 PolarHBondContact OG-NE2 2.99Å
104	E	89.9	Confident	93.9	Very high	16 Å²	16	33.8 Å²	33.8	8%	0.075	16%	0.162	C	C	.	.			trans	-115.8	-20.4	176.3	-74.8	-169.9	162.7	0	0	113.3	D85 K87 Y102 N142 C143 L145	D85-E104 PolarHBondContact OD1-N 2.92Å; K87-E104 HydrophobicContact CD-CG 4.2Å; K87-E104 WeakPolarHBondContact CD-OE2 3.31Å; K87-E104 WeakPolarHBondContact CE-OE2 3.28Å; K87-E104 IonicContact NZ-OE2 2.65Å; K87-E104 PolarHBondContact NZ-OE2 3.47Å; Y102-E104 HydrophobicContact CD2-CG 4Å; Y102-E104 HydrophobicContact CE2-CG 3.51Å; Y102-E104 WeakPolarHBondContact CE2-OE1 3.33Å; E104-N142 CarbonylContact O-C 3.57Å; E104-N142 WeakPolarHBondContact O-CA 3.46Å; E104-C143 WeakPolarHBondContact CB-O 3.49Å; E104-C143 WeakPolarHBondContact CG-O 3.2Å; E104-C143 PolarHBondContact O-N 2.8Å; E104-C143 PolarHBondContact O-SG 3.49Å; E104-L145 PolarHBondContact OE1-N 3.5Å
105	Y	86.9	Confident	94.1	Very high	40 Å²	40	29.9 Å²	29.9	16%	0.157	15%	0.145	C	C	.	.	B	Isolated β-bridge	trans	-103.2	149	177.7	-59.6	-74.4	0	0	0	111	Y49 S51 D85 M107 N142	Y49-Y105 AromaticContact CD1-CD1 3.58Å; Y49-Y105 HydrophobicContact CD1-CD1 3.58Å; Y49-Y105 AromaticContact CD1-CD2 3.69Å; Y49-Y105 HydrophobicContact CD1-CD2 3.69Å; Y49-Y105 HydrophobicContact CD1-CE1 4.06Å; Y49-Y105 HydrophobicContact CD1-CE2 4.2Å; Y49-Y105 AromaticContact CD1-CG 3.38Å; Y49-Y105 HydrophobicContact CD1-CG 3.38Å; Y49-Y105 AromaticContact CD2-CD2 3.6Å; Y49-Y105 HydrophobicContact CD2-CD2 3.6Å; Y49-Y105 AromaticContact CD2-CE2 3.89Å; Y49-Y105 HydrophobicContact CD2-CE2 3.89Å; Y49-Y105 HydrophobicContact CD2-CG 4.17Å; Y49-Y105 HydrophobicContact CE1-CD1 4.1Å; Y49-Y105 AromaticContact CE1-CD2 3.98Å; Y49-Y105 HydrophobicContact CE1-CD2 3.98Å; Y49-Y105 AromaticContact CE1-CG 3.56Å; Y49-Y105 HydrophobicContact CE1-CG 3.56Å; Y49-Y105 AromaticContact CE2-CD2 3.89Å; Y49-Y105 HydrophobicContact CE2-CD2 3.89Å; Y49-Y105 HydrophobicContact CE2-CG 4.3Å; Y49-Y105 HydrophobicContact CG-CD1 4.01Å; Y49-Y105 AromaticContact CG-CD2 3.48Å; Y49-Y105 HydrophobicContact CG-CD2 3.48Å; Y49-Y105 VanDerWaalsContact CG-CD2 3.48Å; Y49-Y105 HydrophobicContact CG-CE1 4.12Å; Y49-Y105 AromaticContact CG-CE2 3.65Å; Y49-Y105 HydrophobicContact CG-CE2 3.65Å; Y49-Y105 AromaticContact CG-CG 3.71Å; Y49-Y105 HydrophobicContact CG-CG 3.71Å; Y49-Y105 AromaticContact CG-CZ 3.96Å; S51-Y105 PolarHBondContact OG-OH 3.02Å; D85-Y105 HydrophobicContact CB-CD2 4.29Å; D85-Y105 WeakPolarHBondContact OD1-CB 3Å; D85-Y105 WeakPolarHBondContact OD1-CD2 3.44Å; D85-Y105 PolarHBondContact OD1-N 3.35Å; D85-Y105 VanDerWaalsContact OD2-O 3.13Å; Y105-M107 PolarHBondContact O-N 2.82Å; Y105-N142 HydrophobicContact CD1-CB 3.84Å; Y105-N142 HydrophobicContact CE1-CB 3.86Å
106	E	77.8	Confident	94.3	Very high	84 Å²	84	28 Å²	28	39%	0.393	13%	0.133	S	C	.	.	S	Bend	trans	63.6	-52.5	175.4	-57.9	174.6	-158.1	0	0	115.2	Q48 Y49 P136 S141	Q48-E106 PolarHBondContact NE2-OE1 2.51Å; Y49-E106 PolarHBondContact OH-OE1 3.32Å; Y49-E106 VanDerWaalsContact OH-OE1 3.13Å; E106-P136 VanDerWaalsContact O-CA 3.27Å; E106-P136 WeakPolarHBondContact O-CA 3.42Å; E106-P136 VanDerWaalsContact O-CB 3.25Å; E106-P136 WeakPolarHBondContact O-CB 3.32Å; E106-S141 PolarHBondContact N-O 3.27Å
107	M	80.6	Confident	94.2	Very high	80 Å²	80	26.4 Å²	26.4	39%	0.394	13%	0.13	S	C	.	.	S	Bend	trans	-137.5	118.6	172.6	-172.3	-179.1	-57.4	0	0	111.3	S103 Y105 T109 P136	S103-M107 WeakPolarHBondContact CB-O 3.15Å; Y105-M107 PolarHBondContact O-N 2.82Å; M107-T109 HydrophobicContact CG-CG2 3.98Å; M107-T109 PolarHBondContact O-N 3.06Å; M107-T109 VanDerWaalsContact O-N 3.15Å; M107-T109 HydrophobicContact SD-CG2 3.96Å; M107-P136 HydrophobicContact CE-CG 4.19Å
108	C	89.7	Confident	93.8	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.014	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-85.4	88.7	178.8	-66.9	0	0	0	0	110.6	R133 L134 C143 F159	C108-R133 WeakPolarHBondContact O-CA 3.18Å; C108-R133 WeakPolarHBondContact O-CB 3.49Å; C108-L134 HydrophobicContact CB-CB 3.75Å; C108-L134 HydrophobicContact CB-CD1 4.47Å; C108-L134 PolarHBondContact O-N 3.13Å; C108-C143 HydrophobicContact CB-CB 4.01Å; C108-C143 WeakPolarHBondContact CB-SG 3.43Å; C108-C143 WeakPolarHBondContact SG-CB 3.33Å; C108-C143 CovalentContact SG-SG 2.01Å; C108-C143 PolarHBondContact SG-SG 2.89Å; C108-F159 HydrophobicContact CB-CD1 4.13Å; C108-F159 HydrophobicContact CB-CE1 4.2Å; C108-F159 HydrophobicContact CB-CG 4.49Å
109	T	93.5	Very high	93.4	Very high	14 Å²	14	32.4 Å²	32.4	9%	0.086	18%	0.179	C	C	.	.			trans	-142.6	154.4	-173.8	-168.1	0	0	0	0	111.6	Y102 S103 M107	Y102-T109 CarbonylContact C-O 3.55Å; Y102-T109 VanDerWaalsContact CA-O 3.26Å; Y102-T109 WeakPolarHBondContact CA-O 3.24Å; Y102-T109 WeakPolarHBondContact CB-O 3.26Å; S103-T109 PolarHBondContact N-O 3.42Å; M107-T109 HydrophobicContact CG-CG2 3.98Å; M107-T109 PolarHBondContact O-N 3.06Å; M107-T109 VanDerWaalsContact O-N 3.15Å; M107-T109 HydrophobicContact SD-CG2 3.96Å
110	F	97.1	Very high	93.3	Very high	6 Å²	6	33.9 Å²	33.9	3%	0.026	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	151.9	163.2	-53.2	-81.1	0	0	0	109.4	V100 L126 V128 A132 L145 F157 F159 I180	V100-F110 HydrophobicContact CG2-CD1 3.79Å; F110-L126 HydrophobicContact CB-CD2 4.49Å; F110-V128 HydrophobicContact CB-CG1 4.38Å; F110-V128 HydrophobicContact CB-CG2 3.89Å; F110-V128 HydrophobicContact CD2-CG1 4.02Å; F110-A132 WeakPolarHBondContact CE2-O 3.26Å; F110-L145 HydrophobicContact CD1-CD2 4.49Å; F110-L145 HydrophobicContact CE1-CD1 4.13Å; F110-L145 HydrophobicContact CE1-CD2 3.71Å; F110-L145 HydrophobicContact CZ-CD1 3.98Å; F110-L145 HydrophobicContact CZ-CD2 4.4Å; F110-F157 HydrophobicContact CE1-CB 4.3Å; F110-F157 HydrophobicContact CE1-CD1 4.08Å; F110-F157 AromaticContact CE1-CD2 3.69Å; F110-F157 HydrophobicContact CE1-CD2 3.69Å; F110-F157 HydrophobicContact CE1-CE1 4.35Å; F110-F157 AromaticContact CE1-CE2 3.95Å; F110-F157 HydrophobicContact CE1-CE2 3.95Å; F110-F157 AromaticContact CE1-CG 3.77Å; F110-F157 HydrophobicContact CE1-CG 3.77Å; F110-F157 HydrophobicContact CE1-CZ 4.31Å; F110-F157 HydrophobicContact CZ-CB 3.7Å; F110-F157 HydrophobicContact CZ-CD1 4.34Å; F110-F157 AromaticContact CZ-CD2 3.63Å; F110-F157 HydrophobicContact CZ-CD2 3.63Å; F110-F157 HydrophobicContact CZ-CE2 4.33Å; F110-F157 AromaticContact CZ-CG 3.64Å; F110-F157 HydrophobicContact CZ-CG 3.64Å; F110-F159 HydrophobicContact CD1-CE2 4.43Å; F110-F159 AromaticContact CD2-CE2 3.93Å; F110-F159 HydrophobicContact CD2-CE2 3.93Å; F110-F159 HydrophobicContact CE1-CE2 4.04Å; F110-F159 HydrophobicContact CE1-CZ 4.44Å; F110-F159 AromaticContact CE2-CD2 3.98Å; F110-F159 HydrophobicContact CE2-CD2 3.98Å; F110-F159 AromaticContact CE2-CE2 3.48Å; F110-F159 HydrophobicContact CE2-CE2 3.48Å; F110-F159 VanDerWaalsContact CE2-CE2 3.48Å; F110-F159 HydrophobicContact CG-CE2 4.38Å; F110-F159 HydrophobicContact CZ-CD2 4.04Å; F110-F159 AromaticContact CZ-CE2 3.54Å; F110-F159 HydrophobicContact CZ-CE2 3.54Å; F110-F159 HydrophobicContact CZ-CZ 4.34Å; F110-I180 HydrophobicContact CB-CD1 3.82Å; F110-I180 HydrophobicContact CD1-CD1 3.65Å; F110-I180 HydrophobicContact CD2-CD1 3.72Å; F110-I180 HydrophobicContact CD2-CG2 3.9Å; F110-I180 HydrophobicContact CE1-CD1 4.09Å; F110-I180 HydrophobicContact CE2-CD1 4.17Å; F110-I180 HydrophobicContact CE2-CG2 3.69Å; F110-I180 HydrophobicContact CG-CD1 3.43Å; F110-I180 VanDerWaalsContact CG-CD1 3.43Å; F110-I180 HydrophobicContact CZ-CD1 4.34Å; F110-I180 HydrophobicContact CZ-CG2 4.31Å
111	H	96.8	Very high	93.2	Very high	64 Å²	64	35 Å²	35	30%	0.296	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	-60.1	-178.4	-64.5	-83.4	0	0	0	112	R86 T101 S103	R86-H111 VanDerWaalsContact CZ-CB 3.41Å; R86-H111 PolarHBondContact NE-CD2 3.05Å; R86-H111 PolarHBondContact NH1-CD2 2.57Å; R86-H111 PolarHBondContact NH2-CD2 3.17Å; R86-H111 VanDerWaalsContact NH2-CD2 3.34Å; R86-H111 PolarHBondContact NH2-CE1 2.91Å; R86-H111 VanDerWaalsContact NH2-CE1 3.34Å; R86-H111 PolarHBondContact NH2-ND1 2.89Å; R86-H111 VanDerWaalsContact NH2-ND1 3.16Å; R86-H111 PolarHBondContact NH2-NE2 2.92Å; T101-H111 PolarHBondContact O-N 3.11Å; S103-H111 VanDerWaalsContact CB-NE2 3.28Å; S103-H111 WeakPolarHBondContact CB-NE2 3.22Å; S103-H111 PolarHBondContact OG-NE2 2.99Å
112	D	98	Very high	93.2	Very high	62 Å²	62	39.9 Å²	39.9	33%	0.332	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	149.6	-170.6	-54.7	-74.6	0	0	0	110.9	R86 T101 Y114	R86-D112 IonicContact NH1-OD2 3.71Å; R86-D112 PolarHBondContact NH1-OD2 2.92Å; T101-D112 PolarHBondContact N-O 2.81Å; T101-D112 PolarHBondContact OG1-N 3.45Å; D112-Y114 HydrophobicContact CB-CD2 4.34Å; D112-Y114 HydrophobicContact CB-CE2 3.49Å; D112-Y114 VanDerWaalsContact CB-CE2 3.49Å
113	L	98.5	Very high	93.2	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.01	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	139.7	170.2	-174.4	68.4	0	0	0	108.9	F91 Y98 M99 V100 V124 L126 L171 I173 A178	F91-L113 HydrophobicContact CZ-CD1 4.46Å; Y98-L113 HydrophobicContact CD1-CD1 4.26Å; Y98-L113 HydrophobicContact CD1-CD2 4.17Å; Y98-L113 HydrophobicContact CD1-CG 4.22Å; M99-L113 CarbonylContact O-C 3.58Å; M99-L113 WeakPolarHBondContact O-CA 3.35Å; V100-L113 HydrophobicContact CB-CD1 4.13Å; L113-V124 HydrophobicContact CB-CB 4.23Å; L113-V124 HydrophobicContact CD2-CB 3.98Å; L113-V124 HydrophobicContact CD2-CG1 3.82Å; L113-V124 HydrophobicContact CG-CB 4.04Å; L113-V124 HydrophobicContact CG-CG1 4.43Å; L113-V124 PolarHBondContact O-N 3.35Å; L113-L126 HydrophobicContact CB-CB 4.05Å; L113-L126 HydrophobicContact CB-CD1 4.22Å; L113-L126 HydrophobicContact CB-CD2 4.15Å; L113-L126 HydrophobicContact CB-CG 4.36Å; L113-L126 HydrophobicContact CD2-CD1 4.39Å; L113-L171 HydrophobicContact CD1-CD2 4.45Å; L113-L171 HydrophobicContact CD2-CD1 4.43Å; L113-I173 HydrophobicContact CD2-CD1 4.23Å; L113-A178 HydrophobicContact CD2-CB 3.35Å
114	Y	98.4	Very high	93.4	Very high	32 Å²	32	45.2 Å²	45.2	13%	0.125	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	153	175.4	-57.4	-96.7	0	0	0	110.1	I80 Y98 M99 T101 D112 W121 K122 P123	I80-Y114 HydrophobicContact CG2-CD1 4.45Å; I80-Y114 HydrophobicContact CG2-CE1 3.74Å; I80-Y114 HydrophobicContact CG2-CE2 4.12Å; Y98-Y114 CarbonylContact C-O 3.53Å; Y98-Y114 WeakPolarHBondContact CA-O 3.41Å; M99-Y114 HydrophobicContact CE-CD2 3.27Å; M99-Y114 HydrophobicContact CE-CE2 3.84Å; M99-Y114 HydrophobicContact CE-CG 3.73Å; M99-Y114 PolarHBondContact N-O 2.95Å; M99-Y114 PolarHBondContact O-N 2.82Å; T101-Y114 HydrophobicContact CG2-CD2 4.13Å; T101-Y114 HydrophobicContact CG2-CE2 3.77Å; D112-Y114 HydrophobicContact CB-CD2 4.34Å; D112-Y114 HydrophobicContact CB-CE2 3.49Å; D112-Y114 VanDerWaalsContact CB-CE2 3.49Å; Y114-W121 HydrophobicContact CD1-CB 4.38Å; Y114-K122 CarbonylContact C-O 3.59Å; Y114-K122 WeakPolarHBondContact CA-O 3.45Å; Y114-K122 WeakPolarHBondContact CB-O 3.38Å; Y114-P123 HydrophobicContact CD1-CB 4.38Å; Y114-P123 HydrophobicContact CE1-CB 4.35Å
115	T	97.6	Very high	93.8	Very high	21 Å²	21	47.6 Å²	47.6	13%	0.129	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	145.9	167.7	-175.9	0	0	0	0	110	I97 W121 K122 V124	I97-T115 CarbonylContact O-C 3.55Å; I97-T115 VanDerWaalsContact O-CA 3.32Å; I97-T115 WeakPolarHBondContact O-CA 3.49Å; I97-T115 PolarHBondContact O-OG1 2.79Å; T115-W121 CarbonylContact O-C 3.59Å; T115-W121 WeakPolarHBondContact O-CA 3.5Å; T115-K122 HydrophobicContact CG2-CB 4.07Å; T115-K122 PolarHBondContact N-O 3.25Å; T115-K122 PolarHBondContact O-N 2.9Å; T115-V124 HydrophobicContact CG2-CG2 3.74Å
116	W	97.6	Very high	94.4	Very high	28 Å²	28	47.4 Å²	47.4	11%	0.106	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	116.8	174.4	-178.6	-107.7	0	0	0	110.1	F39 A62 F77 I97 G119 S120 W121	F39-W116 AromaticContact CE1-CD2 3.78Å; F39-W116 HydrophobicContact CE1-CD2 3.78Å; F39-W116 AromaticContact CE1-CE2 3.94Å; F39-W116 AromaticContact CE1-CE3 3.96Å; F39-W116 HydrophobicContact CE1-CE3 3.96Å; F39-W116 HydrophobicContact CE1-CG 4.17Å; F39-W116 HydrophobicContact CE1-CH2 4.43Å; F39-W116 HydrophobicContact CE1-CZ2 4.27Å; F39-W116 HydrophobicContact CE1-CZ3 4.28Å; F39-W116 HydrophobicContact CZ-CD2 4.24Å; F39-W116 HydrophobicContact CZ-CG 4.15Å; A62-W116 HydrophobicContact CB-CH2 3.76Å; A62-W116 HydrophobicContact CB-CZ2 3.48Å; A62-W116 VanDerWaalsContact CB-CZ2 3.48Å; F77-W116 HydrophobicContact CB-CH2 4.21Å; F77-W116 HydrophobicContact CB-CZ3 4.17Å; F77-W116 AromaticContact CD1-CH2 3.7Å; F77-W116 HydrophobicContact CD1-CH2 3.7Å; F77-W116 AromaticContact CD1-CZ3 3.86Å; F77-W116 HydrophobicContact CD1-CZ3 3.86Å; F77-W116 HydrophobicContact CE1-CH2 4.42Å; F77-W116 HydrophobicContact CE1-CZ3 4.46Å; F77-W116 HydrophobicContact CG-CH2 4.21Å; F77-W116 HydrophobicContact CG-CZ3 4.06Å; I97-W116 HydrophobicContact CB-CB 4.03Å; I97-W116 HydrophobicContact CG2-CB 4.26Å; I97-W116 PolarHBondContact O-N 2.84Å; W116-G119 VanDerWaalsContact CH2-O 3.24Å; W116-G119 WeakPolarHBondContact CH2-O 3.28Å; W116-G119 VanDerWaalsContact CZ2-C 3.48Å; W116-G119 VanDerWaalsContact CZ2-CA 3.42Å; W116-S120 VanDerWaalsContact CE3-C 3.42Å; W116-W121 HydrophobicContact CB-CE3 4.01Å; W116-W121 HydrophobicContact CB-CH2 3.97Å; W116-W121 HydrophobicContact CB-CZ3 3.67Å; W116-W121 AromaticContact CE3-CD1 3.77Å; W116-W121 AromaticContact CE3-CD2 3.67Å; W116-W121 HydrophobicContact CE3-CD2 3.67Å; W116-W121 AromaticContact CE3-CE2 3.52Å; W116-W121 HydrophobicContact CE3-CE3 4.25Å; W116-W121 AromaticContact CE3-CG 3.87Å; W116-W121 HydrophobicContact CE3-CG 3.87Å; W116-W121 HydrophobicContact CE3-CH2 4.5Å; W116-W121 AromaticContact CE3-CZ2 3.99Å; W116-W121 HydrophobicContact CE3-CZ2 3.99Å; W116-W121 AromaticContact CE3-NE1 3.6Å; W116-W121 AromaticContact CZ3-CD1 3.64Å; W116-W121 HydrophobicContact CZ3-CD2 4.33Å; W116-W121 AromaticContact CZ3-CE2 3.98Å; W116-W121 HydrophobicContact CZ3-CG 4.16Å; W116-W121 AromaticContact CZ3-NE1 3.55Å
117	T	93.6	Very high	95.3	Very high	68 Å²	68	47.6 Å²	47.6	42%	0.417	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	133	178.5	-46.4	0	0	0	0	110.5	G119 S120	T117-G119 VanDerWaalsContact C-N 3.3Å; T117-G119 PolarHBondContact O-N 2.8Å; T117-S120 PolarHBondContact N-O 3.11Å; T117-S120 PolarHBondContact O-N 2.85Å; T117-S120 VanDerWaalsContact O-N 3.14Å; T117-S120 VanDerWaalsContact O-O 3.04Å; T117-S120 PolarHBondContact O-OG 2.85Å
118	S	90.3	Very high	96.1	Very high	119 Å²	119	45.8 Å²	45.8	83%	0.832	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	44.4	175.6	-54.8	0	0	0	0	113.5	S120	S118-S120 PolarHBondContact O-N 2.91Å
119	G	91	Very high	96.5	Very high	25 Å²	25	49.9 Å²	49.9	26%	0.258	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.8	16	176.9	0	0	0	0	0	115	W116 T117	W116-G119 VanDerWaalsContact CH2-O 3.24Å; W116-G119 WeakPolarHBondContact CH2-O 3.28Å; W116-G119 VanDerWaalsContact CZ2-C 3.48Å; W116-G119 VanDerWaalsContact CZ2-CA 3.42Å; T117-G119 VanDerWaalsContact C-N 3.3Å; T117-G119 PolarHBondContact O-N 2.8Å
120	S	95.3	Very high	96.4	Very high	31 Å²	31	53.5 Å²	53.5	22%	0.217	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	153.8	-180	66	0	0	0	0	113.3	W116 T117 S118 K122	W116-S120 VanDerWaalsContact CE3-C 3.42Å; T117-S120 PolarHBondContact N-O 3.11Å; T117-S120 PolarHBondContact O-N 2.85Å; T117-S120 VanDerWaalsContact O-N 3.14Å; T117-S120 VanDerWaalsContact O-O 3.04Å; T117-S120 PolarHBondContact O-OG 2.85Å; S118-S120 PolarHBondContact O-N 2.91Å; S120-K122 WeakPolarHBondContact OG-CE 3.46Å; S120-K122 PolarHBondContact OG-NZ 2.91Å
121	W	97.5	Very high	96.2	Very high	23 Å²	23	60 Å²	60	9%	0.087	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	127.6	171.5	-64.8	101.8	0	0	0	110.8	F39 I56 F77 I80 V90 I97 M99 Y114 T115 W116	F39-W121 AromaticContact CD1-CZ2 3.64Å; F39-W121 HydrophobicContact CD1-CZ2 3.64Å; F39-W121 AromaticContact CE1-CH2 4Å; F39-W121 HydrophobicContact CE1-CH2 4Å; F39-W121 AromaticContact CE1-CZ2 3.41Å; F39-W121 HydrophobicContact CE1-CZ2 3.41Å; F39-W121 VanDerWaalsContact CE1-CZ2 3.41Å; F39-W121 HydrophobicContact CE2-CH2 4.4Å; F39-W121 HydrophobicContact CE2-CZ2 4.39Å; F39-W121 HydrophobicContact CG-CZ2 4.23Å; F39-W121 AromaticContact CZ-CH2 3.93Å; F39-W121 HydrophobicContact CZ-CH2 3.93Å; F39-W121 AromaticContact CZ-CZ2 3.82Å; F39-W121 HydrophobicContact CZ-CZ2 3.82Å; I56-W121 HydrophobicContact CD1-CZ2 3.67Å; F77-W121 AromaticContact CD2-CD1 3.84Å; F77-W121 AromaticContact CD2-NE1 3.96Å; F77-W121 AromaticContact CE2-NE1 3.75Å; F77-W121 AromaticContact CZ-NE1 3.92Å; I80-W121 HydrophobicContact CD1-CB 3.79Å; I80-W121 HydrophobicContact CD1-CD2 4.5Å; I80-W121 HydrophobicContact CD1-CG 3.6Å; I80-W121 HydrophobicContact CG1-CB 4.5Å; V90-W121 HydrophobicContact CG1-CH2 3.76Å; V90-W121 HydrophobicContact CG1-CZ2 4.46Å; V90-W121 HydrophobicContact CG2-CH2 4.49Å; I97-W121 HydrophobicContact CG2-CH2 3.98Å; I97-W121 HydrophobicContact CG2-CZ3 4.34Å; M99-W121 HydrophobicContact CB-CE3 3.96Å; M99-W121 HydrophobicContact CB-CH2 3.92Å; M99-W121 HydrophobicContact CB-CZ3 3.59Å; M99-W121 HydrophobicContact CE-CD2 4.41Å; Y114-W121 HydrophobicContact CD1-CB 4.38Å; T115-W121 CarbonylContact O-C 3.59Å; T115-W121 WeakPolarHBondContact O-CA 3.5Å; W116-W121 HydrophobicContact CB-CE3 4.01Å; W116-W121 HydrophobicContact CB-CH2 3.97Å; W116-W121 HydrophobicContact CB-CZ3 3.67Å; W116-W121 AromaticContact CE3-CD1 3.77Å; W116-W121 AromaticContact CE3-CD2 3.67Å; W116-W121 HydrophobicContact CE3-CD2 3.67Å; W116-W121 AromaticContact CE3-CE2 3.52Å; W116-W121 HydrophobicContact CE3-CE3 4.25Å; W116-W121 AromaticContact CE3-CG 3.87Å; W116-W121 HydrophobicContact CE3-CG 3.87Å; W116-W121 HydrophobicContact CE3-CH2 4.5Å; W116-W121 AromaticContact CE3-CZ2 3.99Å; W116-W121 HydrophobicContact CE3-CZ2 3.99Å; W116-W121 AromaticContact CE3-NE1 3.6Å; W116-W121 AromaticContact CZ3-CD1 3.64Å; W116-W121 HydrophobicContact CZ3-CD2 4.33Å; W116-W121 AromaticContact CZ3-CE2 3.98Å; W116-W121 HydrophobicContact CZ3-CG 4.16Å; W116-W121 AromaticContact CZ3-NE1 3.55Å
122	K	96.5	Very high	96.1	Very high	104 Å²	104	57 Å²	57	45%	0.452	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	136.3	177.2	-59.5	-54.8	-171.9	-155.7	0	110.1	Y114 T115 S120	Y114-K122 CarbonylContact C-O 3.59Å; Y114-K122 WeakPolarHBondContact CA-O 3.45Å; Y114-K122 WeakPolarHBondContact CB-O 3.38Å; T115-K122 HydrophobicContact CG2-CB 4.07Å; T115-K122 PolarHBondContact N-O 3.25Å; T115-K122 PolarHBondContact O-N 2.9Å; S120-K122 WeakPolarHBondContact OG-CE 3.46Å; S120-K122 PolarHBondContact OG-NZ 2.91Å
123	P	97.3	Very high	95.7	Very high	105 Å²	105	59.6 Å²	59.6	68%	0.682	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.3	142.5	179.5	28.8	-34.7	0	0	0	110.9	Y114	Y114-P123 HydrophobicContact CD1-CB 4.38Å; Y114-P123 HydrophobicContact CE1-CB 4.35Å
124	V	98	Very high	95.1	Very high	23 Å²	23	59.8 Å²	59.8	14%	0.139	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	136.1	173	179	0	0	0	0	107.6	Y98 L113 T115 L126	Y98-V124 HydrophobicContact CE1-CG2 4.31Å; L113-V124 HydrophobicContact CB-CB 4.23Å; L113-V124 HydrophobicContact CD2-CB 3.98Å; L113-V124 HydrophobicContact CD2-CG1 3.82Å; L113-V124 HydrophobicContact CG-CB 4.04Å; L113-V124 HydrophobicContact CG-CG1 4.43Å; L113-V124 PolarHBondContact O-N 3.35Å; T115-V124 HydrophobicContact CG2-CG2 3.74Å; V124-L126 PolarHBondContact O-N 3.33Å; V124-L126 VanDerWaalsContact O-N 3.15Å
125	A	98.3	Very high	94.1	Very high	66 Å²	66	65.8 Å²	65.8	55%	0.545	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	119.7	178.4	0	0	0	0	0	110	A177 A178	A125-A177 HydrophobicContact CB-CB 4.04Å; A125-A177 CarbonylContact O-C 3.6Å; A125-A177 WeakPolarHBondContact O-CA 3.28Å; A125-A178 PolarHBondContact O-N 3.16Å
126	L	98.5	Very high	92.7	Very high	36 Å²	36	68.6 Å²	68.6	19%	0.188	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	125	-177.2	-177.8	65.5	0	0	0	110.6	F110 L113 V124 V128 L171 A178 I180	F110-L126 HydrophobicContact CB-CD2 4.49Å; L113-L126 HydrophobicContact CB-CB 4.05Å; L113-L126 HydrophobicContact CB-CD1 4.22Å; L113-L126 HydrophobicContact CB-CD2 4.15Å; L113-L126 HydrophobicContact CB-CG 4.36Å; L113-L126 HydrophobicContact CD2-CD1 4.39Å; V124-L126 PolarHBondContact O-N 3.33Å; V124-L126 VanDerWaalsContact O-N 3.15Å; L126-V128 HydrophobicContact CD2-CG2 3.88Å; L126-V128 HydrophobicContact CG-CG2 3.93Å; L126-L171 HydrophobicContact CD1-CD1 4.05Å; L126-A178 WeakPolarHBondContact CA-O 3.42Å; L126-A178 HydrophobicContact CD1-CB 4.1Å; L126-I180 HydrophobicContact CD1-CD1 3.97Å; L126-I180 HydrophobicContact CD1-CG1 3.94Å; L126-I180 HydrophobicContact CD2-CD1 4.27Å
127	T	97.9	Very high	91.2	Very high	88 Å²	88	68.7 Å²	68.7	54%	0.54	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	125.8	167.1	-62.3	0	0	0	0	109.8	A178 V179 I180	T127-A178 PolarHBondContact N-O 3.38Å; T127-V179 CarbonylContact O-C 3.53Å; T127-V179 WeakPolarHBondContact O-CA 3.49Å; T127-I180 PolarHBondContact O-N 3.01Å
128	V	97.2	Very high	89.9	Confident	43 Å²	43	67.3 Å²	67.3	26%	0.261	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	118	177.8	-173.8	0	0	0	0	108.7	F110 L126 A132 I180	F110-V128 HydrophobicContact CB-CG1 4.38Å; F110-V128 HydrophobicContact CB-CG2 3.89Å; F110-V128 HydrophobicContact CD2-CG1 4.02Å; L126-V128 HydrophobicContact CD2-CG2 3.88Å; L126-V128 HydrophobicContact CG-CG2 3.93Å; V128-A132 HydrophobicContact CG1-CB 4.22Å; V128-I180 HydrophobicContact CG2-CD1 4.49Å
129	E	96.8	Very high	88.5	Confident	88 Å²	88	66.8 Å²	66.8	41%	0.411	39%	0.392	S	S	.	.			trans	-64.7	143	175.5	-70.4	-175	170.1	0	0	111.1	K131 A132 I180 S181 H182	E129-K131 PolarHBondContact O-N 2.9Å; E129-A132 HydrophobicContact CB-CB 4.4Å; E129-A132 VanDerWaalsContact O-CB 3.31Å; E129-A132 WeakPolarHBondContact O-CB 3.03Å; E129-A132 PolarHBondContact O-N 3.08Å; E129-I180 PolarHBondContact N-O 2.86Å; E129-S181 VanDerWaalsContact OE2-CA 3.27Å; E129-S181 WeakPolarHBondContact OE2-CA 3.34Å; E129-S181 WeakPolarHBondContact OE2-CB 3.49Å; E129-H182 PolarHBondContact OE2-N 3.18Å
130	S	91.9	Very high	87.2	Confident	89 Å²	89	71.8 Å²	71.8	62%	0.622	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-23	-174.1	61.1	0	0	0	0	114.4	R133	S130-R133 VanDerWaalsContact O-CG 3.28Å; S130-R133 WeakPolarHBondContact O-CG 3.44Å; S130-R133 PolarHBondContact O-NE 2.92Å
131	K	94	Very high	86.1	Confident	144 Å²	144	71 Å²	71	63%	0.626	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-9.2	176.1	-68.8	-174.9	179.4	-179.9	0	113.8	E129 R133 V167 H182	E129-K131 PolarHBondContact O-N 2.9Å; K131-R133 PolarHBondContact O-N 2.88Å; K131-V167 WeakPolarHBondContact O-CG1 3.39Å; K131-H182 HydrophobicContact CB-CB 3.66Å; K131-H182 PolarHBondContact O-CD2 2.78Å; K131-H182 VanDerWaalsContact O-CD2 3.31Å
132	A	94	Very high	85.4	Confident	0 Å²	0	72.4 Å²	72.4	0%	0	42%	0.421	C	S	.	.	S	Bend	trans	-84.1	13.1	-179.6	0	0	0	0	0	113.7	F110 V128 E129 S169 I180	F110-A132 WeakPolarHBondContact CE2-O 3.26Å; V128-A132 HydrophobicContact CG1-CB 4.22Å; E129-A132 HydrophobicContact CB-CB 4.4Å; E129-A132 VanDerWaalsContact O-CB 3.31Å; E129-A132 WeakPolarHBondContact O-CB 3.03Å; E129-A132 PolarHBondContact O-N 3.08Å; A132-S169 WeakPolarHBondContact CA-OG 3.18Å; A132-S169 WeakPolarHBondContact CB-OG 2.94Å; A132-S169 PolarHBondContact O-OG 3.25Å; A132-I180 HydrophobicContact CB-CG2 3.94Å
133	R	89.5	Confident	85	Confident	117 Å²	117	67.5 Å²	67.5	44%	0.442	40%	0.4	S	S	.	.	S	Bend	trans	-129	158	-179.3	61	-177.1	-178.2	179.2	4.4	110.3	C108 S130 K131	C108-R133 WeakPolarHBondContact O-CA 3.18Å; C108-R133 WeakPolarHBondContact O-CB 3.49Å; S130-R133 VanDerWaalsContact O-CG 3.28Å; S130-R133 WeakPolarHBondContact O-CG 3.44Å; S130-R133 PolarHBondContact O-NE 2.92Å; K131-R133 PolarHBondContact O-N 2.88Å
134	L	86.8	Confident	84.7	Confident	6 Å²	6	65.6 Å²	65.6	3%	0.031	38%	0.381	C	S	.	.	B	Isolated β-bridge	trans	-95.8	135.7	169.4	-66.5	169.7	0	0	0	110.1	C108 C143 F159 Q161 K165 V167	C108-L134 HydrophobicContact CB-CB 3.75Å; C108-L134 HydrophobicContact CB-CD1 4.47Å; C108-L134 PolarHBondContact O-N 3.13Å; L134-C143 HydrophobicContact CD1-CB 4.29Å; L134-F159 HydrophobicContact CD1-CB 3.73Å; L134-F159 HydrophobicContact CG-CB 4.05Å; L134-Q161 HydrophobicContact CD1-CB 3.75Å; L134-K165 HydrophobicContact CD2-CB 3.67Å; L134-V167 HydrophobicContact CD2-CB 4.14Å; L134-V167 HydrophobicContact CD2-CG2 3.43Å; L134-V167 VanDerWaalsContact CD2-CG2 3.43Å; L134-V167 HydrophobicContact CG-CB 4.4Å; L134-V167 HydrophobicContact CG-CG2 4.15Å
135	E	77.2	Confident	84.5	Confident	157 Å²	157	64.9 Å²	64.9	73%	0.734	38%	0.376	S	S	*	.	P	Polyproline II helix	trans	-61.9	149.6	176.6	-67.2	-178	162.5	0	0	111.3	G137	E135-G137 PolarHBondContact O-N 2.83Å; E135-G137 VanDerWaalsContact O-N 3.13Å
136	P	68.4	Low	84.4	Confident	80 Å²	80	62.2 Å²	62.2	52%	0.519	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-53	120.3	175.4	-26.5	35.1	0	0	0	111.4	E106 M107 G138	E106-P136 VanDerWaalsContact O-CA 3.27Å; E106-P136 WeakPolarHBondContact O-CA 3.42Å; E106-P136 VanDerWaalsContact O-CB 3.25Å; E106-P136 WeakPolarHBondContact O-CB 3.32Å; M107-P136 HydrophobicContact CE-CG 4.19Å; P136-G138 PolarHBondContact O-N 3.44Å
137	G	65.3	Low	84.4	Confident	30 Å²	30	63.9 Å²	63.9	31%	0.309	36%	0.358	S	S	.	.			trans	-85.3	9.4	176.9	0	0	0	0	0	113.6	E135 S141	E135-G137 PolarHBondContact O-N 2.83Å; E135-G137 VanDerWaalsContact O-N 3.13Å; G137-S141 VanDerWaalsContact CA-CB 3.47Å; G137-S141 VanDerWaalsContact CA-OG 3.23Å; G137-S141 WeakPolarHBondContact CA-OG 3.12Å; G137-S141 PolarHBondContact N-OG 2.82Å
138	G	66.6	Low	84.4	Confident	40 Å²	40	59.8 Å²	59.8	41%	0.412	33%	0.333	S	S	.	.			trans	102.4	174.4	-167.7	0	0	0	0	0	112.5	P136 T140 S141	P136-G138 PolarHBondContact O-N 3.44Å; G138-T140 PolarHBondContact O-N 2.7Å; G138-T140 VanDerWaalsContact O-N 3.1Å; G138-S141 PolarHBondContact O-N 2.71Å; G138-S141 VanDerWaalsContact O-N 3.13Å; G138-S141 PolarHBondContact O-OG 3.28Å; G138-S141 VanDerWaalsContact O-OG 3.09Å
139	S	60.8	Low	84.4	Confident	107 Å²	107	59.6 Å²	59.6	75%	0.748	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-17.9	-173.4	52.8	0	0	0	0	115
140	T	64.3	Low	84.3	Confident	130 Å²	130	56 Å²	56	80%	0.798	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.7	3.2	-179.6	58.7	0	0	0	0	113.2	G138 N142	G138-T140 PolarHBondContact O-N 2.7Å; G138-T140 VanDerWaalsContact O-N 3.1Å; T140-N142 PolarHBondContact O-N 3.16Å
141	S	72.2	Confident	84.2	Confident	14 Å²	14	55.5 Å²	55.5	10%	0.098	32%	0.317	C	S	.	.			trans	-76.5	128.7	178.7	73.2	0	0	0	0	110.3	E106 G137 G138	E106-S141 PolarHBondContact N-O 3.27Å; G137-S141 VanDerWaalsContact CA-CB 3.47Å; G137-S141 VanDerWaalsContact CA-OG 3.23Å; G137-S141 WeakPolarHBondContact CA-OG 3.12Å; G137-S141 PolarHBondContact N-OG 2.82Å; G138-S141 PolarHBondContact O-N 2.71Å; G138-S141 VanDerWaalsContact O-N 3.13Å; G138-S141 PolarHBondContact O-OG 3.28Å; G138-S141 VanDerWaalsContact O-OG 3.09Å
142	N	82	Confident	83.9	Confident	54 Å²	54	49.9 Å²	49.9	29%	0.289	29%	0.294	S	S	.	.	B	Isolated β-bridge	trans	-115.7	155.3	165.3	70.7	-26.5	0	0	0	110.8	E104 Y105 T140 N162	E104-N142 CarbonylContact O-C 3.57Å; E104-N142 WeakPolarHBondContact O-CA 3.46Å; Y105-N142 HydrophobicContact CD1-CB 3.84Å; Y105-N142 HydrophobicContact CE1-CB 3.86Å; T140-N142 PolarHBondContact O-N 3.16Å; N142-N162 PolarHBondContact OD1-ND2 2.83Å; N142-N162 VanDerWaalsContact OD1-ND2 3.15Å
143	C	88.6	Confident	83.8	Confident	1 Å²	1	53.3 Å²	53.3	1%	0.007	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	171.7	165	54.7	0	0	0	0	110.1	E104 C108 L134 F159 S160 Q161	E104-C143 WeakPolarHBondContact CB-O 3.49Å; E104-C143 WeakPolarHBondContact CG-O 3.2Å; E104-C143 PolarHBondContact O-N 2.8Å; E104-C143 PolarHBondContact O-SG 3.49Å; C108-C143 HydrophobicContact CB-CB 4.01Å; C108-C143 WeakPolarHBondContact CB-SG 3.43Å; C108-C143 WeakPolarHBondContact SG-CB 3.33Å; C108-C143 CovalentContact SG-SG 2.01Å; C108-C143 PolarHBondContact SG-SG 2.89Å; L134-C143 HydrophobicContact CD1-CB 4.29Å; C143-F159 HydrophobicContact CB-CD1 4.36Å; C143-S160 CarbonylContact C-O 3.43Å; C143-S160 WeakPolarHBondContact CA-O 3.48Å; C143-S160 WeakPolarHBondContact CB-O 3.49Å; C143-Q161 HydrophobicContact CB-CB 4.37Å
144	K	90.1	Very high	84.1	Confident	65 Å²	65	47.9 Å²	47.9	28%	0.283	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	139.7	164.9	-64	-172.9	177.6	-177.6	0	108.6	F159 S160	K144-F159 CarbonylContact O-C 3.56Å; K144-F159 WeakPolarHBondContact O-CA 3.13Å; K144-S160 PolarHBondContact N-O 2.76Å; K144-S160 PolarHBondContact O-N 3.5Å
145	L	94.9	Very high	84.6	Confident	7 Å²	7	47.6 Å²	47.6	4%	0.037	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	143.8	163	-171.5	62.3	0	0	0	108.4	Y89 Y102 E104 F110 F157 F159	Y89-L145 HydrophobicContact CD2-CD2 3.75Å; Y89-L145 HydrophobicContact CD2-CG 4.23Å; Y89-L145 HydrophobicContact CE2-CB 3.89Å; Y89-L145 HydrophobicContact CE2-CD2 3.7Å; Y89-L145 HydrophobicContact CE2-CG 3.7Å; Y89-L145 PolarHBondContact OH-O 2.88Å; Y102-L145 HydrophobicContact CD1-CD2 3.65Å; Y102-L145 HydrophobicContact CD2-CB 3.88Å; Y102-L145 HydrophobicContact CD2-CD2 3.71Å; Y102-L145 HydrophobicContact CD2-CG 4.44Å; Y102-L145 HydrophobicContact CE1-CD2 3.83Å; Y102-L145 HydrophobicContact CE2-CB 3.43Å; Y102-L145 VanDerWaalsContact CE2-CB 3.43Å; Y102-L145 HydrophobicContact CE2-CD2 3.85Å; Y102-L145 HydrophobicContact CE2-CG 4.29Å; Y102-L145 HydrophobicContact CG-CD2 3.6Å; E104-L145 PolarHBondContact OE1-N 3.5Å; F110-L145 HydrophobicContact CD1-CD2 4.49Å; F110-L145 HydrophobicContact CE1-CD1 4.13Å; F110-L145 HydrophobicContact CE1-CD2 3.71Å; F110-L145 HydrophobicContact CZ-CD1 3.98Å; F110-L145 HydrophobicContact CZ-CD2 4.4Å; L145-F157 HydrophobicContact CD1-CB 3.97Å; L145-F157 HydrophobicContact CD1-CD1 4.14Å; L145-F157 HydrophobicContact CD1-CG 4.36Å; L145-F157 HydrophobicContact CD2-CD1 4.1Å; L145-F157 HydrophobicContact CD2-CE1 4.43Å; L145-F157 HydrophobicContact CG-CD1 4.27Å; L145-F159 HydrophobicContact CB-CD1 3.97Å; L145-F159 HydrophobicContact CB-CE1 3.75Å; L145-F159 HydrophobicContact CB-CZ 4.4Å; L145-F159 HydrophobicContact CD1-CD1 3.78Å; L145-F159 HydrophobicContact CD1-CD2 3.88Å; L145-F159 HydrophobicContact CD1-CE1 3.86Å; L145-F159 HydrophobicContact CD1-CE2 3.95Å; L145-F159 HydrophobicContact CD1-CG 3.79Å; L145-F159 HydrophobicContact CD1-CZ 3.93Å; L145-F159 HydrophobicContact CD2-CE1 4.41Å; L145-F159 HydrophobicContact CD2-CZ 4.25Å; L145-F159 HydrophobicContact CG-CD1 4.44Å; L145-F159 HydrophobicContact CG-CE1 4.21Å; L145-F159 HydrophobicContact CG-CZ 4.43Å
146	S	95.8	Very high	85.6	Confident	10 Å²	10	40.2 Å²	40.2	7%	0.07	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	154.5	159.8	59.1	0	0	0	0	107.9	F157 A158 I196 V197	S146-F157 WeakPolarHBondContact O-CA 3.36Å; S146-A158 PolarHBondContact N-O 2.83Å; S146-A158 PolarHBondContact O-N 2.81Å; S146-A158 PolarHBondContact OG-O 3.18Å; S146-I196 WeakPolarHBondContact OG-CG2 3.35Å; S146-V197 WeakPolarHBondContact CB-O 3.33Å
147	Y	97.7	Very high	87.1	Confident	71 Å²	71	36.4 Å²	36.4	28%	0.278	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	158.2	177.2	88.1	-82.1	0	0	0	111.8	Y89 V90 F91 V149 V155 L156 F157	Y89-Y147 AromaticContact CD1-CD1 3.44Å; Y89-Y147 HydrophobicContact CD1-CD1 3.44Å; Y89-Y147 VanDerWaalsContact CD1-CD1 3.44Å; Y89-Y147 AromaticContact CD1-CE1 3.4Å; Y89-Y147 HydrophobicContact CD1-CE1 3.4Å; Y89-Y147 VanDerWaalsContact CD1-CE1 3.4Å; Y89-Y147 AromaticContact CD2-CD1 3.58Å; Y89-Y147 HydrophobicContact CD2-CD1 3.58Å; Y89-Y147 HydrophobicContact CD2-CE1 4.36Å; Y89-Y147 HydrophobicContact CD2-CG 4.14Å; Y89-Y147 AromaticContact CE1-CD1 3.76Å; Y89-Y147 HydrophobicContact CE1-CD1 3.76Å; Y89-Y147 AromaticContact CE1-CE1 3.9Å; Y89-Y147 HydrophobicContact CE1-CE1 3.9Å; Y89-Y147 AromaticContact CE2-CD1 3.87Å; Y89-Y147 HydrophobicContact CE2-CD1 3.87Å; Y89-Y147 AromaticContact CG-CD1 3.35Å; Y89-Y147 HydrophobicContact CG-CD1 3.35Å; Y89-Y147 AromaticContact CG-CE1 3.68Å; Y89-Y147 HydrophobicContact CG-CE1 3.68Å; Y89-Y147 HydrophobicContact CG-CG 4.14Å; Y89-Y147 AromaticContact CZ-CD1 3.96Å; V90-Y147 PolarHBondContact O-OH 2.94Å; F91-Y147 HydrophobicContact CB-CD2 4.4Å; F91-Y147 HydrophobicContact CB-CE2 3.68Å; F91-Y147 HydrophobicContact CD1-CD2 4.18Å; F91-Y147 HydrophobicContact CD1-CE2 4.13Å; F91-Y147 HydrophobicContact CG-CE2 4.25Å; Y147-V149 HydrophobicContact CE2-CG2 4.33Å; Y147-V155 HydrophobicContact CD2-CG1 3.84Å; Y147-V155 HydrophobicContact CG-CG1 4.43Å; Y147-L156 CarbonylContact C-O 3.51Å; Y147-L156 WeakPolarHBondContact CA-O 3.47Å; Y147-F157 VanDerWaalsContact CB-CD1 3.45Å; Y147-F157 VanDerWaalsContact CB-CE1 3.42Å; Y147-F157 HydrophobicContact CG-CE1 4.32Å
148	T	98.2	Very high	88.6	Confident	3 Å²	3	35 Å²	35	2%	0.018	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	131.6	171.4	-72.2	0	0	0	0	109	V155 L156 A199 Q256 F261	T148-V155 WeakPolarHBondContact O-CA 3.48Å; T148-L156 PolarHBondContact N-O 2.8Å; T148-L156 PolarHBondContact O-N 3.04Å; T148-A199 WeakPolarHBondContact CB-O 3.35Å; T148-A199 PolarHBondContact OG1-O 3.4Å; T148-Q256 HydrophobicContact CG2-CB 3.49Å; T148-Q256 VanDerWaalsContact CG2-CB 3.49Å; T148-F261 HydrophobicContact CG2-CE1 3.96Å; T148-F261 HydrophobicContact CG2-CZ 4.49Å
149	V	97.7	Very high	89.9	Confident	38 Å²	38	33.1 Å²	33.1	23%	0.23	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	127.9	170.7	-179.3	0	0	0	0	108.5	F91 V93 Y147 V155	F91-V149 HydrophobicContact CB-CG2 3.88Å; V93-V149 HydrophobicContact CG2-CG1 4.47Å; Y147-V149 HydrophobicContact CE2-CG2 4.33Å; V149-V155 HydrophobicContact CG2-CG2 4.32Å
150	V	95.4	Very high	91.4	Very high	13 Å²	13	28.1 Å²	28.1	8%	0.079	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	114.6	-178.3	-176	0	0	0	0	108.6	N152 D153 S154 L156 L201	V150-N152 PolarHBondContact O-N 3.44Å; V150-N152 VanDerWaalsContact O-N 3.13Å; V150-D153 PolarHBondContact O-N 3.07Å; V150-D153 VanDerWaalsContact O-N 3.13Å; V150-S154 PolarHBondContact N-O 2.81Å; V150-S154 PolarHBondContact O-N 3.13Å; V150-L156 HydrophobicContact CG2-CB 3.88Å; V150-L201 HydrophobicContact CG1-CB 4.24Å; V150-L201 HydrophobicContact CG2-CB 4.18Å
151	A	88.1	Confident	92.4	Very high	78 Å²	78	22.8 Å²	22.8	65%	0.645	13%	0.128	S	C	*	.	T	Hydrogen-bonded Turn	trans	54	28.7	175.1	0	0	0	0	0	115.5	D153	A151-D153 PolarHBondContact O-N 3.13Å; A151-D153 VanDerWaalsContact O-N 3.07Å
152	N	89.3	Confident	92.5	Very high	26 Å²	26	25 Å²	25	14%	0.139	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	16.8	-175.1	-163.1	25.7	0	0	0	114.9	V93 H94 V150	V93-N152 WeakPolarHBondContact CG1-O 3.39Å; H94-N152 PolarHBondContact CD2-O 3.13Å; H94-N152 PolarHBondContact N-O 2.91Å; H94-N152 VanDerWaalsContact N-O 3.11Å; H94-N152 PolarHBondContact N-OD1 3.29Å; H94-N152 PolarHBondContact NE2-O 3.37Å; V150-N152 PolarHBondContact O-N 3.44Å; V150-N152 VanDerWaalsContact O-N 3.13Å
153	D	90.8	Very high	91.7	Very high	73 Å²	73	25.3 Å²	25.3	39%	0.39	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115	-32.2	-174.2	170.3	59.4	0	0	0	112.4	V93 H94 V150 A151 R170	V93-D153 WeakPolarHBondContact CG1-O 3.45Å; H94-D153 IonicContact CE1-OD1 3.64Å; H94-D153 IonicContact NE2-OD1 3.76Å; V150-D153 PolarHBondContact O-N 3.07Å; V150-D153 VanDerWaalsContact O-N 3.13Å; A151-D153 PolarHBondContact O-N 3.13Å; A151-D153 VanDerWaalsContact O-N 3.07Å; D153-R170 IonicContact OD2-NH2 3.56Å; D153-R170 PolarHBondContact OD2-NH2 3.01Å; D153-R170 VanDerWaalsContact OD2-NH2 3.15Å
154	S	95.4	Very high	91.1	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.014	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	168.1	-174.5	62.5	0	0	0	0	111.9	V150 R170 L171	V150-S154 PolarHBondContact N-O 2.81Å; V150-S154 PolarHBondContact O-N 3.13Å; S154-R170 VanDerWaalsContact OG-CZ 3.29Å; S154-R170 PolarHBondContact OG-NE 3.3Å; S154-R170 PolarHBondContact OG-NH2 2.79Å; S154-L171 WeakPolarHBondContact CA-O 3.4Å; S154-L171 VanDerWaalsContact CB-O 3.24Å; S154-L171 WeakPolarHBondContact CB-O 3.23Å
155	V	98.4	Very high	91.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	125.1	175.5	-172	0	0	0	0	110	F91 V93 Y147 T148 V149 F157 R170 L171	F91-V155 HydrophobicContact CD2-CG2 3.58Å; F91-V155 HydrophobicContact CE1-CG2 4.49Å; F91-V155 HydrophobicContact CE2-CG2 3.47Å; F91-V155 VanDerWaalsContact CE2-CG2 3.47Å; F91-V155 HydrophobicContact CG-CG2 4.17Å; F91-V155 HydrophobicContact CZ-CG2 3.97Å; V93-V155 HydrophobicContact CG2-CG2 3.76Å; Y147-V155 HydrophobicContact CD2-CG1 3.84Å; Y147-V155 HydrophobicContact CG-CG1 4.43Å; T148-V155 WeakPolarHBondContact O-CA 3.48Å; V149-V155 HydrophobicContact CG2-CG2 4.32Å; V155-F157 HydrophobicContact CB-CE2 4.29Å; V155-F157 HydrophobicContact CB-CZ 4.16Å; V155-F157 HydrophobicContact CG1-CD1 4.19Å; V155-F157 HydrophobicContact CG1-CE1 3.7Å; V155-F157 HydrophobicContact CG1-CE2 4.13Å; V155-F157 HydrophobicContact CG1-CZ 3.64Å; V155-R170 CarbonylContact O-C 3.58Å; V155-R170 WeakPolarHBondContact O-CA 3.49Å; V155-L171 HydrophobicContact CB-CB 4.08Å; V155-L171 HydrophobicContact CB-CD2 4.37Å; V155-L171 HydrophobicContact CG2-CD2 4.21Å; V155-L171 PolarHBondContact N-O 3.08Å; V155-L171 VanDerWaalsContact N-O 3.16Å; V155-L171 PolarHBondContact O-N 3.27Å
156	L	98.4	Very high	91	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.01	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	128.8	167.7	177.5	66.5	0	0	0	108.5	Y147 T148 V150 F168 L183 A199 L201 L206	Y147-L156 CarbonylContact C-O 3.51Å; Y147-L156 WeakPolarHBondContact CA-O 3.47Å; T148-L156 PolarHBondContact N-O 2.8Å; T148-L156 PolarHBondContact O-N 3.04Å; V150-L156 HydrophobicContact CG2-CB 3.88Å; L156-F168 HydrophobicContact CD1-CB 4.45Å; L156-F168 HydrophobicContact CD1-CD1 4.29Å; L156-L183 HydrophobicContact CD1-CD1 3.6Å; L156-A199 HydrophobicContact CD2-CB 4.05Å; L156-A199 WeakPolarHBondContact CD2-O 3.49Å; L156-L201 HydrophobicContact CD2-CB 4.33Å; L156-L206 HydrophobicContact CD1-CD2 3.67Å; L156-L206 HydrophobicContact CD2-CD2 3.55Å; L156-L206 HydrophobicContact CG-CD2 4.29Å
157	F	98.5	Very high	91	Very high	1 Å²	1	31 Å²	31	0%	0.004	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	144.7	171.6	-70.5	-58.4	0	0	0	110.4	F91 V100 F110 L145 S146 Y147 V155 F168 S169 L171 I180	F91-F157 HydrophobicContact CE1-CE1 4.46Å; F91-F157 AromaticContact CE1-CZ 3.97Å; F91-F157 HydrophobicContact CE1-CZ 3.97Å; F91-F157 HydrophobicContact CZ-CZ 4.23Å; V100-F157 HydrophobicContact CB-CZ 4.37Å; V100-F157 HydrophobicContact CG1-CE1 4.02Å; V100-F157 HydrophobicContact CG1-CZ 3.75Å; F110-F157 HydrophobicContact CE1-CB 4.3Å; F110-F157 HydrophobicContact CE1-CD1 4.08Å; F110-F157 AromaticContact CE1-CD2 3.69Å; F110-F157 HydrophobicContact CE1-CD2 3.69Å; F110-F157 HydrophobicContact CE1-CE1 4.35Å; F110-F157 AromaticContact CE1-CE2 3.95Å; F110-F157 HydrophobicContact CE1-CE2 3.95Å; F110-F157 AromaticContact CE1-CG 3.77Å; F110-F157 HydrophobicContact CE1-CG 3.77Å; F110-F157 HydrophobicContact CE1-CZ 4.31Å; F110-F157 HydrophobicContact CZ-CB 3.7Å; F110-F157 HydrophobicContact CZ-CD1 4.34Å; F110-F157 AromaticContact CZ-CD2 3.63Å; F110-F157 HydrophobicContact CZ-CD2 3.63Å; F110-F157 HydrophobicContact CZ-CE2 4.33Å; F110-F157 AromaticContact CZ-CG 3.64Å; F110-F157 HydrophobicContact CZ-CG 3.64Å; L145-F157 HydrophobicContact CD1-CB 3.97Å; L145-F157 HydrophobicContact CD1-CD1 4.14Å; L145-F157 HydrophobicContact CD1-CG 4.36Å; L145-F157 HydrophobicContact CD2-CD1 4.1Å; L145-F157 HydrophobicContact CD2-CE1 4.43Å; L145-F157 HydrophobicContact CG-CD1 4.27Å; S146-F157 WeakPolarHBondContact O-CA 3.36Å; Y147-F157 VanDerWaalsContact CB-CD1 3.45Å; Y147-F157 VanDerWaalsContact CB-CE1 3.42Å; Y147-F157 HydrophobicContact CG-CE1 4.32Å; V155-F157 HydrophobicContact CB-CE2 4.29Å; V155-F157 HydrophobicContact CB-CZ 4.16Å; V155-F157 HydrophobicContact CG1-CD1 4.19Å; V155-F157 HydrophobicContact CG1-CE1 3.7Å; V155-F157 HydrophobicContact CG1-CE2 4.13Å; V155-F157 HydrophobicContact CG1-CZ 3.64Å; F157-F168 CarbonylContact O-C 3.44Å; F157-F168 VanDerWaalsContact O-CA 3.29Å; F157-F168 WeakPolarHBondContact O-CA 3.2Å; F157-S169 PolarHBondContact N-O 3.41Å; F157-S169 PolarHBondContact O-N 2.8Å; F157-L171 HydrophobicContact CD2-CB 4.37Å; F157-L171 HydrophobicContact CE2-CB 3.76Å; F157-L171 HydrophobicContact CE2-CD2 4.31Å; F157-I180 HydrophobicContact CD2-CD1 4.5Å; F157-I180 HydrophobicContact CE2-CD1 4.17Å
158	A	96.9	Very high	91	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.008	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	106.4	170.1	0	0	0	0	0	110.9	S146 V166 V167 F168 I196	S146-A158 PolarHBondContact N-O 2.83Å; S146-A158 PolarHBondContact O-N 2.81Å; S146-A158 PolarHBondContact OG-O 3.18Å; A158-V166 HydrophobicContact CB-CG1 4.3Å; A158-V167 WeakPolarHBondContact CA-O 3.2Å; A158-F168 HydrophobicContact CB-CD1 3.61Å; A158-F168 HydrophobicContact CB-CE1 3.58Å; A158-F168 HydrophobicContact CB-CG 4.45Å; A158-F168 HydrophobicContact CB-CZ 4.41Å; A158-I196 HydrophobicContact CB-CB 4.33Å; A158-I196 HydrophobicContact CB-CG1 4.25Å; A158-I196 HydrophobicContact CB-CG2 4.12Å
159	F	94.9	Very high	91	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	127.6	167.7	-89.3	-60.2	0	0	0	109.6	Y102 C108 F110 L134 C143 K144 L145 V166 V167	Y102-F159 HydrophobicContact CD2-CE1 4.02Å; Y102-F159 HydrophobicContact CD2-CZ 4.13Å; C108-F159 HydrophobicContact CB-CD1 4.13Å; C108-F159 HydrophobicContact CB-CE1 4.2Å; C108-F159 HydrophobicContact CB-CG 4.49Å; F110-F159 HydrophobicContact CD1-CE2 4.43Å; F110-F159 AromaticContact CD2-CE2 3.93Å; F110-F159 HydrophobicContact CD2-CE2 3.93Å; F110-F159 HydrophobicContact CE1-CE2 4.04Å; F110-F159 HydrophobicContact CE1-CZ 4.44Å; F110-F159 AromaticContact CE2-CD2 3.98Å; F110-F159 HydrophobicContact CE2-CD2 3.98Å; F110-F159 AromaticContact CE2-CE2 3.48Å; F110-F159 HydrophobicContact CE2-CE2 3.48Å; F110-F159 VanDerWaalsContact CE2-CE2 3.48Å; F110-F159 HydrophobicContact CG-CE2 4.38Å; F110-F159 HydrophobicContact CZ-CD2 4.04Å; F110-F159 AromaticContact CZ-CE2 3.54Å; F110-F159 HydrophobicContact CZ-CE2 3.54Å; F110-F159 HydrophobicContact CZ-CZ 4.34Å; L134-F159 HydrophobicContact CD1-CB 3.73Å; L134-F159 HydrophobicContact CG-CB 4.05Å; C143-F159 HydrophobicContact CB-CD1 4.36Å; K144-F159 CarbonylContact O-C 3.56Å; K144-F159 WeakPolarHBondContact O-CA 3.13Å; L145-F159 HydrophobicContact CB-CD1 3.97Å; L145-F159 HydrophobicContact CB-CE1 3.75Å; L145-F159 HydrophobicContact CB-CZ 4.4Å; L145-F159 HydrophobicContact CD1-CD1 3.78Å; L145-F159 HydrophobicContact CD1-CD2 3.88Å; L145-F159 HydrophobicContact CD1-CE1 3.86Å; L145-F159 HydrophobicContact CD1-CE2 3.95Å; L145-F159 HydrophobicContact CD1-CG 3.79Å; L145-F159 HydrophobicContact CD1-CZ 3.93Å; L145-F159 HydrophobicContact CD2-CE1 4.41Å; L145-F159 HydrophobicContact CD2-CZ 4.25Å; L145-F159 HydrophobicContact CG-CD1 4.44Å; L145-F159 HydrophobicContact CG-CE1 4.21Å; L145-F159 HydrophobicContact CG-CZ 4.43Å; F159-V166 CarbonylContact O-C 3.52Å; F159-V166 WeakPolarHBondContact O-CA 3.31Å; F159-V167 PolarHBondContact N-O 3.36Å; F159-V167 PolarHBondContact O-N 2.97Å
160	S	92.1	Very high	91.1	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.007	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	121.2	177.8	-58.4	0	0	0	0	111.1	C143 K144 I196	C143-S160 CarbonylContact C-O 3.43Å; C143-S160 WeakPolarHBondContact CA-O 3.48Å; C143-S160 WeakPolarHBondContact CB-O 3.49Å; K144-S160 PolarHBondContact N-O 2.76Å; K144-S160 PolarHBondContact O-N 3.5Å; S160-I196 VanDerWaalsContact OG-CB 3.29Å; S160-I196 WeakPolarHBondContact OG-CB 3.24Å; S160-I196 WeakPolarHBondContact OG-CG1 3.42Å; S160-I196 PolarHBondContact OG-N 2.74Å
161	Q	85.7	Confident	91.2	Very high	18 Å²	18	28 Å²	28	8%	0.084	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	124	172	-179.7	179.4	67.7	0	0	109.6	L134 C143 D163 K164 K165	L134-Q161 HydrophobicContact CD1-CB 3.75Å; C143-Q161 HydrophobicContact CB-CB 4.37Å; Q161-D163 PolarHBondContact O-N 2.77Å; Q161-K164 HydrophobicContact CG-CB 4.37Å; Q161-K164 HydrophobicContact CG-CD 4.24Å; Q161-K164 PolarHBondContact O-N 2.79Å; Q161-K165 PolarHBondContact N-O 2.99Å; Q161-K165 VanDerWaalsContact N-O 3.09Å
162	N	72.7	Confident	91.7	Very high	62 Å²	62	26.2 Å²	26.2	33%	0.332	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-37.6	110.9	-177.1	-67	-35.7	0	0	0	111.9	N142 K164	N142-N162 PolarHBondContact OD1-ND2 2.83Å; N142-N162 VanDerWaalsContact OD1-ND2 3.15Å; N162-K164 VanDerWaalsContact C-N 3.26Å; N162-K164 PolarHBondContact O-N 3.25Å
163	D	65.9	Low	91.9	Very high	60 Å²	60	26.8 Å²	26.8	32%	0.321	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.3	0.2	176.2	-61.9	-30.2	0	0	0	119.5	Q161 P192 R193 S194	Q161-D163 PolarHBondContact O-N 2.77Å; D163-P192 WeakPolarHBondContact OD1-CA 3.41Å; D163-R193 VanDerWaalsContact CG-CA 3.47Å; D163-R193 WeakPolarHBondContact OD1-CA 3.03Å; D163-R193 PolarHBondContact OD1-N 3.16Å; D163-R193 VanDerWaalsContact OD2-CA 3.31Å; D163-R193 WeakPolarHBondContact OD2-CA 3.31Å; D163-R193 VanDerWaalsContact OD2-CG 3.31Å; D163-R193 WeakPolarHBondContact OD2-CG 3.3Å; D163-R193 PolarHBondContact OD2-N 2.83Å; D163-S194 PolarHBondContact OD1-N 2.9Å
164	K	76.8	Confident	91.8	Very high	106 Å²	106	27.9 Å²	27.9	46%	0.461	14%	0.138	S	C	.	.	S	Bend	trans	-107.7	-104.1	-176.5	-64.7	177.3	178.7	-177.9	0	108	Q161 N162 D187 K188	Q161-K164 HydrophobicContact CG-CB 4.37Å; Q161-K164 HydrophobicContact CG-CD 4.24Å; Q161-K164 PolarHBondContact O-N 2.79Å; N162-K164 VanDerWaalsContact C-N 3.26Å; N162-K164 PolarHBondContact O-N 3.25Å; K164-D187 CarbonylContact C-O 3.52Å; K164-D187 CarbonylContact O-C 3.28Å; K164-D187 VanDerWaalsContact O-C 3.28Å; K164-K188 VanDerWaalsContact O-CA 3.31Å; K164-K188 WeakPolarHBondContact O-CA 3.33Å
165	K	89.2	Confident	91.5	Very high	91 Å²	91	31.2 Å²	31.2	40%	0.396	17%	0.173	S	C	.	.			trans	-116	145.9	-166	-63.3	-175.5	174.3	-178.6	0	110.9	L134 Q161 V186	L134-K165 HydrophobicContact CD2-CB 3.67Å; Q161-K165 PolarHBondContact N-O 2.99Å; Q161-K165 VanDerWaalsContact N-O 3.09Å; K165-V186 WeakPolarHBondContact CA-O 3.47Å
166	V	94	Very high	91.1	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.006	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	128.2	161.5	-176.9	0	0	0	0	108.1	A158 F159 F168 T185 V186 L189 I196	A158-V166 HydrophobicContact CB-CG1 4.3Å; F159-V166 CarbonylContact O-C 3.52Å; F159-V166 WeakPolarHBondContact O-CA 3.31Å; V166-F168 HydrophobicContact CB-CE2 4.2Å; V166-F168 HydrophobicContact CG1-CD2 3.94Å; V166-F168 HydrophobicContact CG1-CE1 4.33Å; V166-F168 HydrophobicContact CG1-CE2 3.45Å; V166-F168 VanDerWaalsContact CG1-CE2 3.45Å; V166-F168 HydrophobicContact CG1-CZ 3.69Å; V166-T185 CarbonylContact O-C 3.48Å; V166-T185 WeakPolarHBondContact O-CA 3.35Å; V166-V186 HydrophobicContact CB-CB 4.24Å; V166-V186 PolarHBondContact N-O 3.15Å; V166-V186 PolarHBondContact O-N 2.88Å; V166-L189 HydrophobicContact CG2-CD1 3.73Å; V166-L189 HydrophobicContact CG2-CD2 3.85Å; V166-L189 HydrophobicContact CG2-CG 3.84Å; V166-I196 HydrophobicContact CB-CG1 4.49Å; V166-I196 HydrophobicContact CG1-CD1 4.15Å; V166-I196 HydrophobicContact CG1-CG1 3.62Å; V166-I196 HydrophobicContact CG2-CD1 4.45Å; V166-I196 HydrophobicContact CG2-CG1 4.04Å
167	V	95.7	Very high	90.9	Very high	5 Å²	5	41.9 Å²	41.9	3%	0.03	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	117.1	172.3	167.5	0	0	0	0	108	K131 L134 A158 F159 T185	K131-V167 WeakPolarHBondContact O-CG1 3.39Å; L134-V167 HydrophobicContact CD2-CB 4.14Å; L134-V167 HydrophobicContact CD2-CG2 3.43Å; L134-V167 VanDerWaalsContact CD2-CG2 3.43Å; L134-V167 HydrophobicContact CG-CB 4.4Å; L134-V167 HydrophobicContact CG-CG2 4.15Å; A158-V167 WeakPolarHBondContact CA-O 3.2Å; F159-V167 PolarHBondContact N-O 3.36Å; F159-V167 PolarHBondContact O-N 2.97Å; V167-T185 HydrophobicContact CG2-CG2 4.23Å
168	F	97.9	Very high	90.9	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	132.3	169.8	-64.3	-88.3	0	0	0	109.3	L156 F157 A158 V166 L183 F184 V186 I196 A199 L206 A208 I227	L156-F168 HydrophobicContact CD1-CB 4.45Å; L156-F168 HydrophobicContact CD1-CD1 4.29Å; F157-F168 CarbonylContact O-C 3.44Å; F157-F168 VanDerWaalsContact O-CA 3.29Å; F157-F168 WeakPolarHBondContact O-CA 3.2Å; A158-F168 HydrophobicContact CB-CD1 3.61Å; A158-F168 HydrophobicContact CB-CE1 3.58Å; A158-F168 HydrophobicContact CB-CG 4.45Å; A158-F168 HydrophobicContact CB-CZ 4.41Å; V166-F168 HydrophobicContact CB-CE2 4.2Å; V166-F168 HydrophobicContact CG1-CD2 3.94Å; V166-F168 HydrophobicContact CG1-CE1 4.33Å; V166-F168 HydrophobicContact CG1-CE2 3.45Å; V166-F168 VanDerWaalsContact CG1-CE2 3.45Å; V166-F168 HydrophobicContact CG1-CZ 3.69Å; F168-L183 HydrophobicContact CB-CB 4.28Å; F168-L183 WeakPolarHBondContact O-CB 3.42Å; F168-L183 PolarHBondContact O-N 3.4Å; F168-F184 HydrophobicContact CB-CB 4.39Å; F168-F184 HydrophobicContact CD2-CB 4.45Å; F168-F184 PolarHBondContact N-O 3.38Å; F168-F184 PolarHBondContact O-N 2.79Å; F168-V186 HydrophobicContact CE2-CG2 3.97Å; F168-I196 HydrophobicContact CE1-CD1 4.4Å; F168-I196 HydrophobicContact CZ-CD1 3.83Å; F168-I196 HydrophobicContact CZ-CG1 4.36Å; F168-A199 HydrophobicContact CD1-CB 4.48Å; F168-A199 HydrophobicContact CE1-CB 3.73Å; F168-L206 HydrophobicContact CB-CD1 3.95Å; F168-L206 HydrophobicContact CD1-CD1 4Å; F168-L206 HydrophobicContact CD2-CD1 4.11Å; F168-L206 HydrophobicContact CG-CD1 3.75Å; F168-A208 HydrophobicContact CZ-CB 4.37Å; F168-I227 HydrophobicContact CD2-CD1 3.98Å; F168-I227 HydrophobicContact CE2-CD1 3.38Å; F168-I227 HydrophobicContact CZ-CD1 3.87Å
169	S	98.2	Very high	91	Very high	1 Å²	1	44 Å²	44	1%	0.007	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	156.4	-179.1	-55.3	0	0	0	0	110	A132 F157 S181	A132-S169 WeakPolarHBondContact CA-OG 3.18Å; A132-S169 WeakPolarHBondContact CB-OG 2.94Å; A132-S169 PolarHBondContact O-OG 3.25Å; F157-S169 PolarHBondContact N-O 3.41Å; F157-S169 PolarHBondContact O-N 2.8Å; S169-S181 CarbonylContact C-O 3.51Å; S169-S181 WeakPolarHBondContact CA-O 3.43Å; S169-S181 WeakPolarHBondContact CB-O 3.36Å
170	R	98.2	Very high	91.2	Very high	60 Å²	60	44 Å²	44	23%	0.226	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	126.4	177.8	-166.1	172.3	-177.5	-160.6	-10.7	110.5	D153 S154 V155 N172 I180 S181 L183	D153-R170 IonicContact OD2-NH2 3.56Å; D153-R170 PolarHBondContact OD2-NH2 3.01Å; D153-R170 VanDerWaalsContact OD2-NH2 3.15Å; S154-R170 VanDerWaalsContact OG-CZ 3.29Å; S154-R170 PolarHBondContact OG-NE 3.3Å; S154-R170 PolarHBondContact OG-NH2 2.79Å; V155-R170 CarbonylContact O-C 3.58Å; V155-R170 WeakPolarHBondContact O-CA 3.49Å; R170-N172 PolarHBondContact NE-OD1 2.74Å; R170-I180 CarbonylContact O-C 3.55Å; R170-I180 WeakPolarHBondContact O-CA 3.43Å; R170-S181 PolarHBondContact N-O 3.08Å; R170-S181 PolarHBondContact O-N 3.24Å; R170-L183 HydrophobicContact CB-CD1 3.78Å; R170-L183 HydrophobicContact CB-CD2 3.94Å; R170-L183 HydrophobicContact CB-CG 3.8Å
171	L	98.5	Very high	91.4	Very high	1 Å²	1	45 Å²	45	1%	0.005	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	126.4	164.6	-179.7	71.4	0	0	0	109.4	F91 L113 L126 S154 V155 F157 I173 A178 V179 I180	F91-L171 HydrophobicContact CE2-CD2 3.77Å; F91-L171 HydrophobicContact CZ-CD2 3.52Å; L113-L171 HydrophobicContact CD1-CD2 4.45Å; L113-L171 HydrophobicContact CD2-CD1 4.43Å; L126-L171 HydrophobicContact CD1-CD1 4.05Å; S154-L171 WeakPolarHBondContact CA-O 3.4Å; S154-L171 VanDerWaalsContact CB-O 3.24Å; S154-L171 WeakPolarHBondContact CB-O 3.23Å; V155-L171 HydrophobicContact CB-CB 4.08Å; V155-L171 HydrophobicContact CB-CD2 4.37Å; V155-L171 HydrophobicContact CG2-CD2 4.21Å; V155-L171 PolarHBondContact N-O 3.08Å; V155-L171 VanDerWaalsContact N-O 3.16Å; V155-L171 PolarHBondContact O-N 3.27Å; F157-L171 HydrophobicContact CD2-CB 4.37Å; F157-L171 HydrophobicContact CE2-CB 3.76Å; F157-L171 HydrophobicContact CE2-CD2 4.31Å; L171-I173 HydrophobicContact CD2-CD1 4.35Å; L171-I173 HydrophobicContact CG-CD1 4.33Å; L171-A178 HydrophobicContact CD1-CB 3.75Å; L171-V179 WeakPolarHBondContact CA-O 3.47Å; L171-I180 HydrophobicContact CB-CG1 4.13Å; L171-I180 HydrophobicContact CD1-CD1 4.14Å; L171-I180 HydrophobicContact CD1-CG1 3.45Å; L171-I180 VanDerWaalsContact CD1-CG1 3.45Å; L171-I180 HydrophobicContact CG-CG1 4.4Å
172	N	97.5	Very high	92	Very high	40 Å²	40	46.7 Å²	46.7	21%	0.214	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	134.7	168.4	-54.5	-80.7	0	0	0	108.7	R170 A178 V179	R170-N172 PolarHBondContact NE-OD1 2.74Å; N172-A178 WeakPolarHBondContact O-CA 3.26Å; N172-V179 PolarHBondContact N-O 2.92Å; N172-V179 PolarHBondContact O-N 3.07Å
173	I	94.5	Very high	93.1	Very high	37 Å²	37	46.1 Å²	46.1	19%	0.19	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	125.8	171.7	-51.5	-56.2	0	0	0	107.8	V93 Y98 L113 L171 A178	V93-I173 HydrophobicContact CG1-CG1 4.43Å; Y98-I173 HydrophobicContact CD1-CD1 4.45Å; Y98-I173 HydrophobicContact CE1-CD1 4.04Å; Y98-I173 HydrophobicContact CE2-CD1 4.45Å; Y98-I173 HydrophobicContact CE2-CG1 4.35Å; L113-I173 HydrophobicContact CD2-CD1 4.23Å; L171-I173 HydrophobicContact CD2-CD1 4.35Å; L171-I173 HydrophobicContact CG-CD1 4.33Å; I173-A178 HydrophobicContact CD1-CB 3.68Å
174	V	89.3	Confident	94.6	Very high	96 Å²	96	44.8 Å²	44.8	58%	0.582	25%	0.245	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-127.7	91.4	-176.2	-173.5	0	0	0	0	108.5	E176 A177	V174-E176 PolarHBondContact O-N 2.78Å; V174-A177 CarbonylContact C-O 3.58Å; V174-A177 PolarHBondContact N-O 2.92Å; V174-A177 PolarHBondContact O-N 2.83Å
175	G	87.9	Confident	95.5	Very high	72 Å²	72	41.9 Å²	41.9	74%	0.742	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.1	-125.7	-172	0	0	0	0	0	110.7	A177	G175-A177 VanDerWaalsContact C-N 3.32Å
176	E	90	Very high	95.8	Very high	189 Å²	189	37.8 Å²	37.8	88%	0.883	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89	5.2	179.6	-60.5	-179.7	176.2	0	0	113.7	V174	V174-E176 PolarHBondContact O-N 2.78Å
177	A	95.4	Very high	95.6	Very high	37 Å²	37	43.1 Å²	43.1	31%	0.306	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	169.9	-178.9	0	0	0	0	0	111	A125 V174 G175	A125-A177 HydrophobicContact CB-CB 4.04Å; A125-A177 CarbonylContact O-C 3.6Å; A125-A177 WeakPolarHBondContact O-CA 3.28Å; V174-A177 CarbonylContact C-O 3.58Å; V174-A177 PolarHBondContact N-O 2.92Å; V174-A177 PolarHBondContact O-N 2.83Å; G175-A177 VanDerWaalsContact C-N 3.32Å
178	A	97.9	Very high	95.3	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	150.3	176.8	0	0	0	0	0	112.3	L113 A125 L126 T127 L171 N172 I173	L113-A178 HydrophobicContact CD2-CB 3.35Å; A125-A178 PolarHBondContact O-N 3.16Å; L126-A178 WeakPolarHBondContact CA-O 3.42Å; L126-A178 HydrophobicContact CD1-CB 4.1Å; T127-A178 PolarHBondContact N-O 3.38Å; L171-A178 HydrophobicContact CD1-CB 3.75Å; N172-A178 WeakPolarHBondContact O-CA 3.26Å; I173-A178 HydrophobicContact CD1-CB 3.68Å
179	V	98.3	Very high	95	Very high	46 Å²	46	50.9 Å²	50.9	28%	0.279	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	127.6	177.2	-174.9	0	0	0	0	109.3	T127 L171 N172	T127-V179 CarbonylContact O-C 3.53Å; T127-V179 WeakPolarHBondContact O-CA 3.49Å; L171-V179 WeakPolarHBondContact CA-O 3.47Å; N172-V179 PolarHBondContact N-O 2.92Å; N172-V179 PolarHBondContact O-N 3.07Å
180	I	98.6	Very high	94.3	Very high	0 Å²	0	54 Å²	54	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	105.1	166.2	-62.4	174.1	0	0	0	107.9	V100 F110 L126 T127 V128 E129 A132 F157 R170 L171	V100-I180 HydrophobicContact CG2-CD1 4.36Å; F110-I180 HydrophobicContact CB-CD1 3.82Å; F110-I180 HydrophobicContact CD1-CD1 3.65Å; F110-I180 HydrophobicContact CD2-CD1 3.72Å; F110-I180 HydrophobicContact CD2-CG2 3.9Å; F110-I180 HydrophobicContact CE1-CD1 4.09Å; F110-I180 HydrophobicContact CE2-CD1 4.17Å; F110-I180 HydrophobicContact CE2-CG2 3.69Å; F110-I180 HydrophobicContact CG-CD1 3.43Å; F110-I180 VanDerWaalsContact CG-CD1 3.43Å; F110-I180 HydrophobicContact CZ-CD1 4.34Å; F110-I180 HydrophobicContact CZ-CG2 4.31Å; L126-I180 HydrophobicContact CD1-CD1 3.97Å; L126-I180 HydrophobicContact CD1-CG1 3.94Å; L126-I180 HydrophobicContact CD2-CD1 4.27Å; T127-I180 PolarHBondContact O-N 3.01Å; V128-I180 HydrophobicContact CG2-CD1 4.49Å; E129-I180 PolarHBondContact N-O 2.86Å; A132-I180 HydrophobicContact CB-CG2 3.94Å; F157-I180 HydrophobicContact CD2-CD1 4.5Å; F157-I180 HydrophobicContact CE2-CD1 4.17Å; R170-I180 CarbonylContact O-C 3.55Å; R170-I180 WeakPolarHBondContact O-CA 3.43Å; L171-I180 HydrophobicContact CB-CG1 4.13Å; L171-I180 HydrophobicContact CD1-CD1 4.14Å; L171-I180 HydrophobicContact CD1-CG1 3.45Å; L171-I180 VanDerWaalsContact CD1-CG1 3.45Å; L171-I180 HydrophobicContact CG-CG1 4.4Å
181	S	97.9	Very high	93.6	Very high	23 Å²	23	54.9 Å²	54.9	16%	0.161	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	148.2	179.6	64.5	0	0	0	0	111.9	E129 S169 R170	E129-S181 VanDerWaalsContact OE2-CA 3.27Å; E129-S181 WeakPolarHBondContact OE2-CA 3.34Å; E129-S181 WeakPolarHBondContact OE2-CB 3.49Å; S169-S181 CarbonylContact C-O 3.51Å; S169-S181 WeakPolarHBondContact CA-O 3.43Å; S169-S181 WeakPolarHBondContact CB-O 3.36Å; R170-S181 PolarHBondContact N-O 3.08Å; R170-S181 PolarHBondContact O-N 3.24Å
182	H	97.6	Very high	92.9	Very high	53 Å²	53	59.5 Å²	59.5	25%	0.245	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	135.2	171.4	172.5	-101.7	0	0	0	110.2	E129 K131 F184 T185	E129-H182 PolarHBondContact OE2-N 3.18Å; K131-H182 HydrophobicContact CB-CB 3.66Å; K131-H182 PolarHBondContact O-CD2 2.78Å; K131-H182 VanDerWaalsContact O-CD2 3.31Å; H182-F184 VanDerWaalsContact NE2-C 3.32Å; H182-T185 PolarHBondContact NE2-OG1 3.3Å
183	L	96.7	Very high	92.4	Very high	50 Å²	50	64.6 Å²	64.6	26%	0.262	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	-54.6	172.6	-71.5	-179.5	0	0	0	111.6	L156 F168 R170	L156-L183 HydrophobicContact CD1-CD1 3.6Å; F168-L183 HydrophobicContact CB-CB 4.28Å; F168-L183 WeakPolarHBondContact O-CB 3.42Å; F168-L183 PolarHBondContact O-N 3.4Å; R170-L183 HydrophobicContact CB-CD1 3.78Å; R170-L183 HydrophobicContact CB-CD2 3.94Å; R170-L183 HydrophobicContact CB-CG 3.8Å
184	F	97.5	Very high	92.2	Very high	33 Å²	33	62.9 Å²	62.9	15%	0.145	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	151.4	-172.3	-160.4	-96.1	0	0	0	111.5	F168 H182 V186 L206 I227 L229 V234	F168-F184 HydrophobicContact CB-CB 4.39Å; F168-F184 HydrophobicContact CD2-CB 4.45Å; F168-F184 PolarHBondContact N-O 3.38Å; F168-F184 PolarHBondContact O-N 2.79Å; H182-F184 VanDerWaalsContact NE2-C 3.32Å; F184-V186 HydrophobicContact CD1-CG2 4.04Å; F184-V186 HydrophobicContact CE1-CG2 4.01Å; F184-L206 HydrophobicContact CB-CD1 4.26Å; F184-I227 HydrophobicContact CD1-CD1 4.02Å; F184-I227 HydrophobicContact CD1-CG2 3.64Å; F184-I227 HydrophobicContact CD2-CG2 4.17Å; F184-I227 HydrophobicContact CE1-CD1 4.42Å; F184-I227 HydrophobicContact CE1-CG2 3.56Å; F184-I227 HydrophobicContact CE2-CG2 4.11Å; F184-I227 HydrophobicContact CG-CG2 3.94Å; F184-I227 HydrophobicContact CZ-CG2 3.8Å; F184-L229 HydrophobicContact CB-CD2 3.8Å; F184-L229 HydrophobicContact CD2-CD2 3.93Å; F184-L229 HydrophobicContact CG-CD2 4.05Å; F184-V234 HydrophobicContact CE1-CG2 3.7Å; F184-V234 HydrophobicContact CZ-CG2 4.04Å
185	T	95.6	Very high	92.4	Very high	44 Å²	44	58.3 Å²	58.3	27%	0.27	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	127.7	173.2	-59.9	0	0	0	0	109.8	V166 V167 H182	V166-T185 CarbonylContact O-C 3.48Å; V166-T185 WeakPolarHBondContact O-CA 3.35Å; V167-T185 HydrophobicContact CG2-CG2 4.23Å; H182-T185 PolarHBondContact NE2-OG1 3.3Å
186	V	94.5	Very high	92.7	Very high	6 Å²	6	55.1 Å²	55.1	4%	0.036	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	114	166.4	-179	0	0	0	0	107.4	K165 V166 F168 F184 K188 L189 I227 V234	K165-V186 WeakPolarHBondContact CA-O 3.47Å; V166-V186 HydrophobicContact CB-CB 4.24Å; V166-V186 PolarHBondContact N-O 3.15Å; V166-V186 PolarHBondContact O-N 2.88Å; F168-V186 HydrophobicContact CE2-CG2 3.97Å; F184-V186 HydrophobicContact CD1-CG2 4.04Å; F184-V186 HydrophobicContact CE1-CG2 4.01Å; V186-K188 VanDerWaalsContact C-N 3.29Å; V186-K188 WeakPolarHBondContact CG1-O 3.21Å; V186-K188 PolarHBondContact O-N 2.88Å; V186-L189 HydrophobicContact CG1-CD2 4.22Å; V186-I227 HydrophobicContact CG2-CD1 3.58Å; V186-I227 HydrophobicContact CG2-CG1 4.41Å; V186-V234 HydrophobicContact CG1-CG1 4.45Å; V186-V234 HydrophobicContact CG2-CG2 4.23Å
187	D	90.3	Very high	92.9	Very high	112 Å²	112	47.7 Å²	47.7	60%	0.599	25%	0.249	S	C	*	.	S	Bend	trans	-70.1	-25.3	-174.2	-80	-43	0	0	0	114.2	K164	K164-D187 CarbonylContact C-O 3.52Å; K164-D187 CarbonylContact O-C 3.28Å; K164-D187 VanDerWaalsContact O-C 3.28Å
188	K	89.2	Confident	93	Very high	157 Å²	157	46.1 Å²	46.1	68%	0.683	24%	0.235	S	C	*	.			trans	-158.1	131.4	178.4	-170.3	175.5	178.4	-178.2	0	111.2	K164 V186	K164-K188 VanDerWaalsContact O-CA 3.31Å; K164-K188 WeakPolarHBondContact O-CA 3.33Å; V186-K188 VanDerWaalsContact C-N 3.29Å; V186-K188 WeakPolarHBondContact CG1-O 3.21Å; V186-K188 PolarHBondContact O-N 2.88Å
189	L	90.6	Very high	93	Very high	11 Å²	11	46.3 Å²	46.3	6%	0.058	24%	0.237	C	C	.	.			trans	-79.4	152.6	170.9	-66.1	175.6	0	0	0	111.4	V166 V186 R191 S194 L210 L225 Y236	V166-L189 HydrophobicContact CG2-CD1 3.73Å; V166-L189 HydrophobicContact CG2-CD2 3.85Å; V166-L189 HydrophobicContact CG2-CG 3.84Å; V186-L189 HydrophobicContact CG1-CD2 4.22Å; L189-R191 PolarHBondContact O-N 2.93Å; L189-S194 WeakPolarHBondContact CB-OG 3.39Å; L189-S194 WeakPolarHBondContact CD1-OG 3.44Å; L189-L210 HydrophobicContact CD1-CD2 4.13Å; L189-L210 HydrophobicContact CD2-CD1 4.12Å; L189-L210 HydrophobicContact CD2-CD2 4.02Å; L189-L225 HydrophobicContact CD2-CD2 3.87Å; L189-Y236 WeakPolarHBondContact CA-OH 3.28Å
190	S	84.4	Confident	93	Very high	66 Å²	66	44.1 Å²	44.1	46%	0.462	22%	0.223	S	C	.	.	S	Bend	trans	-62.5	-28	-178	58.6	0	0	0	0	114.1	Y236	S190-Y236 VanDerWaalsContact CB-CZ 3.42Å; S190-Y236 PolarHBondContact N-OH 3.06Å; S190-Y236 WeakPolarHBondContact OG-CE1 3.31Å
191	R	84.4	Confident	92.9	Very high	79 Å²	79	44.8 Å²	44.8	30%	0.298	23%	0.227	S	C	.	.	S	Bend	trans	-110	143	-175.3	-63.1	-174.6	-172.3	-152.8	-1.4	112.1	L189 S194 N220 E223	L189-R191 PolarHBondContact O-N 2.93Å; R191-S194 WeakPolarHBondContact O-CB 3.04Å; R191-S194 PolarHBondContact O-OG 2.85Å; R191-N220 PolarHBondContact NE-ND2 3.33Å; R191-N220 PolarHBondContact NH1-ND2 3.06Å; R191-N220 VanDerWaalsContact NH1-ND2 3.14Å; R191-N220 PolarHBondContact NH2-ND2 3.4Å; R191-E223 IonicContact CZ-OE1 3.49Å; R191-E223 IonicContact NE-OE1 3.18Å; R191-E223 PolarHBondContact NE-OE1 2.7Å; R191-E223 IonicContact NH2-OE1 3Å; R191-E223 PolarHBondContact NH2-OE1 2.76Å
192	P	83.8	Confident	92.8	Very high	99 Å²	99	48.4 Å²	48.4	64%	0.643	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.2	157.4	170.1	31.4	-34.9	0	0	0	111.6	D163 S194	D163-P192 WeakPolarHBondContact OD1-CA 3.41Å; P192-S194 PolarHBondContact O-N 3.02Å
193	R	86.5	Confident	92.6	Very high	147 Å²	147	51.4 Å²	51.4	56%	0.555	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	31.3	47.4	-163.4	-55	172.9	-177.8	170	-1.3	114.5	D163 S212 Q213	D163-R193 VanDerWaalsContact CG-CA 3.47Å; D163-R193 WeakPolarHBondContact OD1-CA 3.03Å; D163-R193 PolarHBondContact OD1-N 3.16Å; D163-R193 VanDerWaalsContact OD2-CA 3.31Å; D163-R193 WeakPolarHBondContact OD2-CA 3.31Å; D163-R193 VanDerWaalsContact OD2-CG 3.31Å; D163-R193 WeakPolarHBondContact OD2-CG 3.3Å; D163-R193 PolarHBondContact OD2-N 2.83Å; R193-S212 CarbonylContact O-C 3.53Å; R193-S212 WeakPolarHBondContact O-CA 3.44Å; R193-Q213 HydrophobicContact CB-CB 3.7Å; R193-Q213 PolarHBondContact O-N 2.96Å
194	S	90.3	Very high	92.4	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	152.6	-176	64.2	0	0	0	0	114.4	D163 L189 R191 P192 G211	D163-S194 PolarHBondContact OD1-N 2.9Å; L189-S194 WeakPolarHBondContact CB-OG 3.39Å; L189-S194 WeakPolarHBondContact CD1-OG 3.44Å; R191-S194 WeakPolarHBondContact O-CB 3.04Å; R191-S194 PolarHBondContact O-OG 2.85Å; P192-S194 PolarHBondContact O-N 3.02Å; S194-G211 CarbonylContact C-O 3.57Å; S194-G211 WeakPolarHBondContact CA-O 3.45Å; S194-G211 WeakPolarHBondContact CB-O 3.38Å
195	S	92.6	Very high	92.4	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	159	174.8	49.2	0	0	0	0	110.5	L210 G211 F217	S195-L210 CarbonylContact O-C 3.5Å; S195-L210 WeakPolarHBondContact O-CA 3.21Å; S195-G211 PolarHBondContact N-O 2.86Å; S195-G211 PolarHBondContact O-N 2.84Å; S195-F217 VanDerWaalsContact OG-CE2 3.32Å; S195-F217 WeakPolarHBondContact OG-CE2 3.48Å
196	I	94.4	Very high	92.5	Very high	5 Å²	5	54.2 Å²	54.2	3%	0.026	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	132.6	172.2	-55.9	-75.8	0	0	0	108.8	S146 A158 S160 V166 F168 A199 A208 L210 L225	S146-I196 WeakPolarHBondContact OG-CG2 3.35Å; A158-I196 HydrophobicContact CB-CB 4.33Å; A158-I196 HydrophobicContact CB-CG1 4.25Å; A158-I196 HydrophobicContact CB-CG2 4.12Å; S160-I196 VanDerWaalsContact OG-CB 3.29Å; S160-I196 WeakPolarHBondContact OG-CB 3.24Å; S160-I196 WeakPolarHBondContact OG-CG1 3.42Å; S160-I196 PolarHBondContact OG-N 2.74Å; V166-I196 HydrophobicContact CB-CG1 4.49Å; V166-I196 HydrophobicContact CG1-CD1 4.15Å; V166-I196 HydrophobicContact CG1-CG1 3.62Å; V166-I196 HydrophobicContact CG2-CD1 4.45Å; V166-I196 HydrophobicContact CG2-CG1 4.04Å; F168-I196 HydrophobicContact CE1-CD1 4.4Å; F168-I196 HydrophobicContact CZ-CD1 3.83Å; F168-I196 HydrophobicContact CZ-CG1 4.36Å; I196-A199 HydrophobicContact CG2-CB 3.95Å; I196-A208 HydrophobicContact CD1-CB 3.5Å; I196-A208 HydrophobicContact CG2-CB 4.24Å; I196-L210 HydrophobicContact CD1-CD2 3.43Å; I196-L210 VanDerWaalsContact CD1-CD2 3.43Å; I196-L210 HydrophobicContact CG1-CD2 4.29Å; I196-L225 HydrophobicContact CD1-CD2 4.04Å
197	V	95.5	Very high	92.7	Very high	34 Å²	34	54 Å²	54	21%	0.206	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	-52.1	171.1	-177.6	0	0	0	0	109.1	S146 I209 F217 W219 N249	S146-V197 WeakPolarHBondContact CB-O 3.33Å; V197-I209 PolarHBondContact N-O 2.92Å; V197-F217 HydrophobicContact CG2-CE1 4Å; V197-F217 HydrophobicContact CG2-CZ 3.9Å; V197-W219 HydrophobicContact CG2-CB 3.94Å; V197-N249 VanDerWaalsContact CG1-O 3.23Å; V197-N249 WeakPolarHBondContact CG1-O 3.32Å
198	F	97	Very high	93	Very high	4 Å²	4	48.8 Å²	48.8	2%	0.018	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	157.1	171.1	56.2	-95	0	0	0	109.8	A208 I209 W219 P251 T254 F261 L263 L284	F198-A208 WeakPolarHBondContact O-CA 3.44Å; F198-I209 HydrophobicContact CD1-CB 4.3Å; F198-I209 HydrophobicContact CD2-CB 4.26Å; F198-I209 HydrophobicContact CD2-CG1 4.14Å; F198-I209 HydrophobicContact CE1-CB 3.89Å; F198-I209 HydrophobicContact CE1-CG1 4.06Å; F198-I209 HydrophobicContact CE1-CG2 4.11Å; F198-I209 HydrophobicContact CE2-CB 3.85Å; F198-I209 HydrophobicContact CE2-CG1 3.34Å; F198-I209 HydrophobicContact CG-CB 4.49Å; F198-I209 HydrophobicContact CZ-CB 3.66Å; F198-I209 HydrophobicContact CZ-CG1 3.3Å; F198-I209 HydrophobicContact CZ-CG2 4.17Å; F198-I209 PolarHBondContact O-N 2.83Å; F198-W219 HydrophobicContact CE1-CE3 4.04Å; F198-W219 AromaticContact CE1-CZ3 3.79Å; F198-W219 HydrophobicContact CE1-CZ3 3.79Å; F198-W219 HydrophobicContact CZ-CZ3 4.08Å; F198-P251 HydrophobicContact CD1-CG 4.23Å; F198-P251 HydrophobicContact CE1-CG 3.79Å; F198-T254 HydrophobicContact CB-CG2 4.42Å; F198-T254 HydrophobicContact CD1-CG2 3.75Å; F198-T254 HydrophobicContact CE1-CG2 4.08Å; F198-T254 HydrophobicContact CG-CG2 4.06Å; F198-F261 HydrophobicContact CD2-CD1 4.45Å; F198-F261 AromaticContact CD2-CD2 3.97Å; F198-F261 HydrophobicContact CD2-CD2 3.97Å; F198-F261 HydrophobicContact CD2-CE1 4.24Å; F198-F261 AromaticContact CD2-CE2 3.72Å; F198-F261 HydrophobicContact CD2-CE2 3.72Å; F198-F261 HydrophobicContact CD2-CG 4.34Å; F198-F261 AromaticContact CD2-CZ 3.85Å; F198-F261 HydrophobicContact CD2-CZ 3.85Å; F198-F261 AromaticContact CE2-CD2 3.74Å; F198-F261 HydrophobicContact CE2-CD2 3.74Å; F198-F261 AromaticContact CE2-CE2 3.93Å; F198-F261 HydrophobicContact CE2-CE2 3.93Å; F198-F261 HydrophobicContact CE2-CG 4.14Å; F198-F261 HydrophobicContact CE2-CZ 4.46Å; F198-L263 HydrophobicContact CE1-CD2 4.15Å; F198-L263 HydrophobicContact CE2-CD2 4.02Å; F198-L263 HydrophobicContact CZ-CD1 4.26Å; F198-L263 HydrophobicContact CZ-CD2 3.66Å; F198-L284 HydrophobicContact CE2-CD2 4.44Å
199	A	98	Very high	93.4	Very high	3 Å²	3	41.3 Å²	41.3	3%	0.025	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	147.5	-179.9	0	0	0	0	0	111.1	T148 L156 F168 I196 T207 A208 F261	T148-A199 WeakPolarHBondContact CB-O 3.35Å; T148-A199 PolarHBondContact OG1-O 3.4Å; L156-A199 HydrophobicContact CD2-CB 4.05Å; L156-A199 WeakPolarHBondContact CD2-O 3.49Å; F168-A199 HydrophobicContact CD1-CB 4.48Å; F168-A199 HydrophobicContact CE1-CB 3.73Å; I196-A199 HydrophobicContact CG2-CB 3.95Å; A199-T207 CarbonylContact C-O 3.54Å; A199-T207 VanDerWaalsContact CA-O 3.28Å; A199-T207 WeakPolarHBondContact CA-O 3.2Å; A199-A208 HydrophobicContact CB-CB 3.63Å; A199-F261 VanDerWaalsContact C-CZ 3.44Å
200	G	97.6	Very high	93.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	161.7	-174.7	0	0	0	0	0	110.8	L206 T207 F261	G200-L206 CarbonylContact O-C 3.58Å; G200-L206 VanDerWaalsContact O-CA 3.29Å; G200-L206 WeakPolarHBondContact O-CA 3.45Å; G200-T207 PolarHBondContact N-O 2.88Å; G200-T207 PolarHBondContact O-N 2.92Å; G200-F261 VanDerWaalsContact N-CZ 3.32Å
201	L	97.1	Very high	93.9	Very high	15 Å²	15	37.8 Å²	37.8	8%	0.079	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	117.3	-176.8	178	61.8	0	0	0	109.9	V150 L156 L206 L229 Q256	V150-L201 HydrophobicContact CG1-CB 4.24Å; V150-L201 HydrophobicContact CG2-CB 4.18Å; L156-L201 HydrophobicContact CD2-CB 4.33Å; L201-L206 HydrophobicContact CB-CD2 3.93Å; L201-L206 HydrophobicContact CD1-CD2 3.75Å; L201-L206 HydrophobicContact CD1-CG 4.13Å; L201-L206 HydrophobicContact CG-CD2 4.31Å; L201-L229 HydrophobicContact CD1-CD1 3.85Å; L201-Q256 PolarHBondContact O-NE2 3.02Å
202	Y	95.8	Very high	94.2	Very high	98 Å²	98	35.7 Å²	35.7	38%	0.384	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	129.2	174.4	-178.8	-100.5	0	0	0	109.9	Q204 K205 N259 V287	Y202-Q204 PolarHBondContact O-N 3.01Å; Y202-K205 PolarHBondContact N-O 2.83Å; Y202-K205 WeakPolarHBondContact O-CB 3.13Å; Y202-K205 PolarHBondContact O-N 2.99Å; Y202-N259 HydrophobicContact CD1-CB 3.83Å; Y202-N259 HydrophobicContact CD2-CB 3.77Å; Y202-N259 HydrophobicContact CE1-CB 3.73Å; Y202-N259 HydrophobicContact CE2-CB 3.67Å; Y202-N259 HydrophobicContact CG-CB 3.85Å; Y202-V287 HydrophobicContact CD1-CG2 4.02Å; Y202-V287 HydrophobicContact CE1-CG2 3.88Å
203	D	93	Very high	94.4	Very high	117 Å²	117	35 Å²	35	63%	0.626	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	44.3	52.4	-179.6	-170	28.3	0	0	0	114.6	K205	D203-K205 PolarHBondContact O-N 2.92Å; D203-K205 VanDerWaalsContact O-N 3.1Å
204	Q	92.5	Very high	94.2	Very high	90 Å²	90	30.5 Å²	30.5	42%	0.421	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	61	17.1	-179	-56.6	-64.4	-48	0	0	114.8	Y202 L229 K230	Y202-Q204 PolarHBondContact O-N 3.01Å; Q204-L229 VanDerWaalsContact O-CB 3.27Å; Q204-L229 WeakPolarHBondContact O-CB 3.16Å; Q204-L229 WeakPolarHBondContact O-CG 3.29Å; Q204-L229 PolarHBondContact O-N 2.82Å; Q204-K230 HydrophobicContact CB-CG 4.37Å
205	K	97.2	Very high	93.7	Very high	94 Å²	94	38 Å²	38	41%	0.409	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	124	170.3	-65.4	-174.2	178	-177.8	0	110.4	Y202 D203 I227	Y202-K205 PolarHBondContact N-O 2.83Å; Y202-K205 WeakPolarHBondContact O-CB 3.13Å; Y202-K205 PolarHBondContact O-N 2.99Å; D203-K205 PolarHBondContact O-N 2.92Å; D203-K205 VanDerWaalsContact O-N 3.1Å; K205-I227 CarbonylContact C-O 3.5Å; K205-I227 VanDerWaalsContact CA-O 3.32Å; K205-I227 WeakPolarHBondContact CA-O 3.5Å
206	L	97.7	Very high	93.2	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	130.4	167.7	-63	165.9	0	0	0	108.6	L156 F168 F184 G200 L201 S226 I227 L229	L156-L206 HydrophobicContact CD1-CD2 3.67Å; L156-L206 HydrophobicContact CD2-CD2 3.55Å; L156-L206 HydrophobicContact CG-CD2 4.29Å; F168-L206 HydrophobicContact CB-CD1 3.95Å; F168-L206 HydrophobicContact CD1-CD1 4Å; F168-L206 HydrophobicContact CD2-CD1 4.11Å; F168-L206 HydrophobicContact CG-CD1 3.75Å; F184-L206 HydrophobicContact CB-CD1 4.26Å; G200-L206 CarbonylContact O-C 3.58Å; G200-L206 VanDerWaalsContact O-CA 3.29Å; G200-L206 WeakPolarHBondContact O-CA 3.45Å; L201-L206 HydrophobicContact CB-CD2 3.93Å; L201-L206 HydrophobicContact CD1-CD2 3.75Å; L201-L206 HydrophobicContact CD1-CG 4.13Å; L201-L206 HydrophobicContact CG-CD2 4.31Å; L206-S226 CarbonylContact O-C 3.49Å; L206-S226 WeakPolarHBondContact O-CA 3.32Å; L206-I227 HydrophobicContact CB-CB 4.11Å; L206-I227 HydrophobicContact CB-CD1 4.32Å; L206-I227 HydrophobicContact CD1-CD1 4.21Å; L206-I227 PolarHBondContact N-O 3.4Å; L206-I227 PolarHBondContact O-N 3.08Å; L206-L229 HydrophobicContact CD1-CD1 4.49Å; L206-L229 HydrophobicContact CD1-CD2 3.7Å; L206-L229 HydrophobicContact CD1-CG 4.38Å; L206-L229 HydrophobicContact CG-CD1 4.25Å; L206-L229 HydrophobicContact CG-CD2 4.17Å; L206-L229 HydrophobicContact CG-CG 4.31Å
207	T	98.1	Very high	92.9	Very high	3 Å²	3	40.5 Å²	40.5	2%	0.018	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	128.7	170.7	-59.8	0	0	0	0	108.5	A199 G200 V224 L225 L286 Y289	A199-T207 CarbonylContact C-O 3.54Å; A199-T207 VanDerWaalsContact CA-O 3.28Å; A199-T207 WeakPolarHBondContact CA-O 3.2Å; G200-T207 PolarHBondContact N-O 2.88Å; G200-T207 PolarHBondContact O-N 2.92Å; T207-V224 HydrophobicContact CG2-CB 4.01Å; T207-V224 HydrophobicContact CG2-CG1 4.4Å; T207-V224 HydrophobicContact CG2-CG2 4.3Å; T207-L225 CarbonylContact C-O 3.39Å; T207-L225 VanDerWaalsContact CA-O 3.32Å; T207-L225 WeakPolarHBondContact CA-O 3.18Å; T207-L286 HydrophobicContact CG2-CD2 3.97Å; T207-Y289 HydrophobicContact CG2-CD1 4.16Å; T207-Y289 HydrophobicContact CG2-CE1 3.73Å
208	A	97.6	Very high	92.7	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.008	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	143.8	-177.9	0	0	0	0	0	112.2	F168 I196 F198 A199 L225	F168-A208 HydrophobicContact CZ-CB 4.37Å; I196-A208 HydrophobicContact CD1-CB 3.5Å; I196-A208 HydrophobicContact CG2-CB 4.24Å; F198-A208 WeakPolarHBondContact O-CA 3.44Å; A199-A208 HydrophobicContact CB-CB 3.63Å; A208-L225 HydrophobicContact CB-CB 4.26Å; A208-L225 HydrophobicContact CB-CD2 4.37Å; A208-L225 PolarHBondContact N-O 3.18Å; A208-L225 PolarHBondContact O-N 3.49Å
209	I	96.5	Very high	92.5	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	134	170.4	-63.7	-57.3	0	0	0	108.9	V197 F198 W219 V224 L284	V197-I209 PolarHBondContact N-O 2.92Å; F198-I209 HydrophobicContact CD1-CB 4.3Å; F198-I209 HydrophobicContact CD2-CB 4.26Å; F198-I209 HydrophobicContact CD2-CG1 4.14Å; F198-I209 HydrophobicContact CE1-CB 3.89Å; F198-I209 HydrophobicContact CE1-CG1 4.06Å; F198-I209 HydrophobicContact CE1-CG2 4.11Å; F198-I209 HydrophobicContact CE2-CB 3.85Å; F198-I209 HydrophobicContact CE2-CG1 3.34Å; F198-I209 HydrophobicContact CG-CB 4.49Å; F198-I209 HydrophobicContact CZ-CB 3.66Å; F198-I209 HydrophobicContact CZ-CG1 3.3Å; F198-I209 HydrophobicContact CZ-CG2 4.17Å; F198-I209 PolarHBondContact O-N 2.83Å; I209-W219 HydrophobicContact CG2-CE3 3.81Å; I209-W219 HydrophobicContact CG2-CZ3 4.24Å; I209-V224 HydrophobicContact CD1-CB 4.17Å; I209-V224 HydrophobicContact CD1-CG1 3.49Å; I209-V224 VanDerWaalsContact CD1-CG1 3.49Å; I209-L284 HydrophobicContact CD1-CD2 4.02Å; I209-L284 HydrophobicContact CG1-CD2 4.14Å
210	L	94.4	Very high	92.3	Very high	3 Å²	3	47.2 Å²	47.2	2%	0.016	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	160.5	-179.8	-57.4	-173.6	0	0	0	111.4	L189 S195 I196 N220 L225 Y236	L189-L210 HydrophobicContact CD1-CD2 4.13Å; L189-L210 HydrophobicContact CD2-CD1 4.12Å; L189-L210 HydrophobicContact CD2-CD2 4.02Å; S195-L210 CarbonylContact O-C 3.5Å; S195-L210 WeakPolarHBondContact O-CA 3.21Å; I196-L210 HydrophobicContact CD1-CD2 3.43Å; I196-L210 VanDerWaalsContact CD1-CD2 3.43Å; I196-L210 HydrophobicContact CG1-CD2 4.29Å; L210-N220 WeakPolarHBondContact O-CB 3.2Å; L210-N220 PolarHBondContact O-N 2.81Å; L210-L225 HydrophobicContact CD2-CD2 4.33Å; L210-Y236 HydrophobicContact CD1-CE1 3.77Å
211	G	92.8	Very high	92.2	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.01	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	160.6	161	0	0	0	0	0	110.1	S194 S195 R218	S194-G211 CarbonylContact C-O 3.57Å; S194-G211 WeakPolarHBondContact CA-O 3.45Å; S194-G211 WeakPolarHBondContact CB-O 3.38Å; S195-G211 PolarHBondContact N-O 2.86Å; S195-G211 PolarHBondContact O-N 2.84Å; G211-R218 CarbonylContact C-O 3.57Å; G211-R218 WeakPolarHBondContact CA-O 3.29Å
212	S	90.8	Very high	92.1	Very high	34 Å²	34	52.5 Å²	52.5	24%	0.238	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	144.4	-176.5	56.4	0	0	0	0	112	R193 R218	R193-S212 CarbonylContact O-C 3.53Å; R193-S212 WeakPolarHBondContact O-CA 3.44Å; S212-R218 PolarHBondContact N-O 2.86Å; S212-R218 PolarHBondContact O-N 2.78Å
213	Q	86.3	Confident	92	Very high	86 Å²	86	49.8 Å²	49.8	40%	0.402	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	115.8	175.9	-168.5	73.7	24.8	0	0	111.3	R193	R193-Q213 HydrophobicContact CB-CB 3.7Å; R193-Q213 PolarHBondContact O-N 2.96Å
214	G	82.4	Confident	92.2	Very high	51 Å²	51	44.2 Å²	44.2	53%	0.526	24%	0.242	S	C	.	.	S	Bend	trans	-116.6	-122.7	166.2	0	0	0	0	0	110.6	G216	G214-G216 PolarHBondContact N-O 2.71Å; G214-G216 PolarHBondContact O-N 2.92Å
215	C	80.2	Confident	92.3	Very high	157 Å²	157	40 Å²	40	100%	1.061	22%	0.223	S	C	*	.	S	Bend	trans	-71	26.2	166.8	-61.4	0	0	0	0	113.4
216	G	82.8	Confident	92.3	Very high	32 Å²	32	36 Å²	36	33%	0.33	21%	0.206	S	C	.	.	S	Bend	trans	148.3	155.4	-165.7	0	0	0	0	0	109.4	G214	G214-G216 PolarHBondContact N-O 2.71Å; G214-G216 PolarHBondContact O-N 2.92Å
217	F	87.8	Confident	92.3	Very high	26 Å²	26	36 Å²	36	11%	0.114	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	138.2	171.5	-171.4	-104.2	0	0	0	109.2	S195 V197 F248 N249	S195-F217 VanDerWaalsContact OG-CE2 3.32Å; S195-F217 WeakPolarHBondContact OG-CE2 3.48Å; V197-F217 HydrophobicContact CG2-CE1 4Å; V197-F217 HydrophobicContact CG2-CZ 3.9Å; F217-F248 VanDerWaalsContact O-CA 3.31Å; F217-F248 WeakPolarHBondContact O-CA 3.32Å; F217-N249 VanDerWaalsContact CD1-OD1 3.28Å; F217-N249 WeakPolarHBondContact CD1-OD1 3.39Å
218	R	90.6	Very high	92.3	Very high	163 Å²	163	37.1 Å²	37.1	62%	0.615	21%	0.212	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-140	120.4	173.1	-171.4	175.8	179.8	126	0	110	G211 S212 F248	G211-R218 CarbonylContact C-O 3.57Å; G211-R218 WeakPolarHBondContact CA-O 3.29Å; S212-R218 PolarHBondContact N-O 2.86Å; S212-R218 PolarHBondContact O-N 2.78Å; R218-F248 CarbonylContact C-O 3.59Å; R218-F248 VanDerWaalsContact CA-O 3.31Å; R218-F248 WeakPolarHBondContact CA-O 3.34Å
219	W	93.9	Very high	92.2	Very high	8 Å²	8	38.9 Å²	38.9	3%	0.03	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	151.7	169.1	88.3	-49	0	0	0	110.4	V197 F198 I209 P244 W246 F248 P251	V197-W219 HydrophobicContact CG2-CB 3.94Å; F198-W219 HydrophobicContact CE1-CE3 4.04Å; F198-W219 AromaticContact CE1-CZ3 3.79Å; F198-W219 HydrophobicContact CE1-CZ3 3.79Å; F198-W219 HydrophobicContact CZ-CZ3 4.08Å; I209-W219 HydrophobicContact CG2-CE3 3.81Å; I209-W219 HydrophobicContact CG2-CZ3 4.24Å; W219-P244 HydrophobicContact CH2-CB 4.12Å; W219-P244 HydrophobicContact CH2-CG 4.03Å; W219-P244 HydrophobicContact CZ2-CB 4.03Å; W219-P244 HydrophobicContact CZ2-CG 4.37Å; W219-W246 AromaticContact CH2-CE3 3.99Å; W219-W246 HydrophobicContact CH2-CE3 3.99Å; W219-W246 HydrophobicContact CH2-CZ3 4.39Å; W219-W246 HydrophobicContact CZ2-CB 4.33Å; W219-W246 AromaticContact CZ2-CE3 3.92Å; W219-W246 HydrophobicContact CZ2-CE3 3.92Å; W219-W246 PolarHBondContact NE1-O 2.87Å; W219-F248 PolarHBondContact N-O 2.93Å; W219-P251 VanDerWaalsContact CZ3-CD 3.47Å; W219-P251 HydrophobicContact CZ3-CG 4.32Å
220	N	93.6	Very high	92.1	Very high	12 Å²	12	46.3 Å²	46.3	6%	0.064	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	96.7	-175.7	175.7	30.6	0	0	0	109.4	R191 L210 E222	R191-N220 PolarHBondContact NE-ND2 3.33Å; R191-N220 PolarHBondContact NH1-ND2 3.06Å; R191-N220 VanDerWaalsContact NH1-ND2 3.14Å; R191-N220 PolarHBondContact NH2-ND2 3.4Å; L210-N220 WeakPolarHBondContact O-CB 3.2Å; L210-N220 PolarHBondContact O-N 2.81Å; N220-E222 PolarHBondContact O-N 2.6Å; N220-E222 WeakPolarHBondContact OD1-CB 3.19Å; N220-E222 PolarHBondContact OD1-N 3.37Å
221	S	94.6	Very high	92	Very high	18 Å²	18	53.3 Å²	53.3	13%	0.126	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	-0.7	176	57.3	0	0	0	0	113.4	T239 Y291	S221-T239 WeakPolarHBondContact O-CB 3.38Å; S221-T239 WeakPolarHBondContact O-CG2 3.34Å; S221-T239 PolarHBondContact O-OG1 2.82Å; S221-Y291 VanDerWaalsContact O-CE2 3.24Å; S221-Y291 WeakPolarHBondContact O-CE2 3.44Å
222	E	94.7	Very high	92	Very high	108 Å²	108	55.1 Å²	55.1	51%	0.505	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	-13.5	-174.3	-59.7	-179.6	166.2	0	0	113.8	N220 P238 T239	N220-E222 PolarHBondContact O-N 2.6Å; N220-E222 WeakPolarHBondContact OD1-CB 3.19Å; N220-E222 PolarHBondContact OD1-N 3.37Å; E222-P238 CarbonylContact O-C 3.56Å; E222-P238 WeakPolarHBondContact O-CA 3.39Å; E222-T239 VanDerWaalsContact CA-OG1 3.32Å; E222-T239 WeakPolarHBondContact CA-OG1 3.49Å; E222-T239 PolarHBondContact O-N 2.89Å; E222-T239 PolarHBondContact O-OG1 2.83Å
223	E	94.7	Very high	92.2	Very high	41 Å²	41	55.4 Å²	55.4	19%	0.192	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	137.3	-170.7	179.9	179.6	49.9	0	0	110.3	R191 Y236 Y237	R191-E223 IonicContact CZ-OE1 3.49Å; R191-E223 IonicContact NE-OE1 3.18Å; R191-E223 PolarHBondContact NE-OE1 2.7Å; R191-E223 IonicContact NH2-OE1 3Å; R191-E223 PolarHBondContact NH2-OE1 2.76Å; E223-Y236 HydrophobicContact CG-CD1 3.96Å; E223-Y236 HydrophobicContact CG-CG 4.49Å; E223-Y236 WeakPolarHBondContact OE2-CB 3.43Å; E223-Y237 CarbonylContact C-O 3.57Å; E223-Y237 VanDerWaalsContact CA-O 3.28Å; E223-Y237 WeakPolarHBondContact CA-O 3.31Å
224	V	95.9	Very high	92.6	Very high	0 Å²	0	54 Å²	54	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	141.6	171.5	-48.8	0	0	0	0	110.2	T207 I209 Y236 Y237 T239 Y289	T207-V224 HydrophobicContact CG2-CB 4.01Å; T207-V224 HydrophobicContact CG2-CG1 4.4Å; T207-V224 HydrophobicContact CG2-CG2 4.3Å; I209-V224 HydrophobicContact CD1-CB 4.17Å; I209-V224 HydrophobicContact CD1-CG1 3.49Å; I209-V224 VanDerWaalsContact CD1-CG1 3.49Å; V224-Y236 WeakPolarHBondContact O-CA 3.24Å; V224-Y237 PolarHBondContact N-O 2.83Å; V224-Y237 PolarHBondContact O-N 2.89Å; V224-T239 HydrophobicContact CG1-CG2 3.59Å; V224-Y289 HydrophobicContact CB-CD1 4.47Å; V224-Y289 HydrophobicContact CG1-CD1 4.28Å; V224-Y289 HydrophobicContact CG1-CG 4.36Å; V224-Y289 HydrophobicContact CG2-CD1 3.66Å; V224-Y289 HydrophobicContact CG2-CD2 3.69Å; V224-Y289 HydrophobicContact CG2-CE1 3.83Å; V224-Y289 HydrophobicContact CG2-CE2 3.86Å; V224-Y289 HydrophobicContact CG2-CG 3.58Å
225	L	96.3	Very high	93.3	Very high	1 Å²	1	54 Å²	54	1%	0.005	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	123.1	163	172.2	63.2	0	0	0	108	L189 I196 T207 A208 L210 I227 V234 Y236	L189-L225 HydrophobicContact CD2-CD2 3.87Å; I196-L225 HydrophobicContact CD1-CD2 4.04Å; T207-L225 CarbonylContact C-O 3.39Å; T207-L225 VanDerWaalsContact CA-O 3.32Å; T207-L225 WeakPolarHBondContact CA-O 3.18Å; A208-L225 HydrophobicContact CB-CB 4.26Å; A208-L225 HydrophobicContact CB-CD2 4.37Å; A208-L225 PolarHBondContact N-O 3.18Å; A208-L225 PolarHBondContact O-N 3.49Å; L210-L225 HydrophobicContact CD2-CD2 4.33Å; L225-I227 HydrophobicContact CD1-CG1 4.42Å; L225-I227 HydrophobicContact CD2-CD1 4.37Å; L225-I227 HydrophobicContact CG-CD1 4.47Å; L225-I227 HydrophobicContact CG-CG1 4.26Å; L225-V234 HydrophobicContact CD1-CG1 3.32Å; L225-Y236 HydrophobicContact CB-CD1 4.43Å; L225-Y236 HydrophobicContact CB-CE1 4.07Å; L225-Y236 HydrophobicContact CD1-CD1 4.33Å; L225-Y236 HydrophobicContact CD1-CE1 3.77Å; L225-Y236 HydrophobicContact CD1-CE2 4.04Å; L225-Y236 HydrophobicContact CG-CE1 4.47Å
226	S	97.2	Very high	94	Very high	9 Å²	9	49.1 Å²	49.1	6%	0.063	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	130.4	177.3	-176.9	0	0	0	0	109.7	L206 T235 Y289	L206-S226 CarbonylContact O-C 3.49Å; L206-S226 WeakPolarHBondContact O-CA 3.32Å; S226-T235 PolarHBondContact N-O 2.92Å; S226-T235 PolarHBondContact O-N 3.15Å; S226-T235 VanDerWaalsContact O-O 3.12Å; S226-Y289 WeakPolarHBondContact CB-OH 3.42Å; S226-Y289 PolarHBondContact OG-OH 2.89Å
227	I	97.7	Very high	94.7	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.005	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	118	179.9	-50	168.2	0	0	0	108.2	F168 F184 V186 K205 L206 L225 L229 S233 V234	F168-I227 HydrophobicContact CD2-CD1 3.98Å; F168-I227 HydrophobicContact CE2-CD1 3.38Å; F168-I227 HydrophobicContact CZ-CD1 3.87Å; F184-I227 HydrophobicContact CD1-CD1 4.02Å; F184-I227 HydrophobicContact CD1-CG2 3.64Å; F184-I227 HydrophobicContact CD2-CG2 4.17Å; F184-I227 HydrophobicContact CE1-CD1 4.42Å; F184-I227 HydrophobicContact CE1-CG2 3.56Å; F184-I227 HydrophobicContact CE2-CG2 4.11Å; F184-I227 HydrophobicContact CG-CG2 3.94Å; F184-I227 HydrophobicContact CZ-CG2 3.8Å; V186-I227 HydrophobicContact CG2-CD1 3.58Å; V186-I227 HydrophobicContact CG2-CG1 4.41Å; K205-I227 CarbonylContact C-O 3.5Å; K205-I227 VanDerWaalsContact CA-O 3.32Å; K205-I227 WeakPolarHBondContact CA-O 3.5Å; L206-I227 HydrophobicContact CB-CB 4.11Å; L206-I227 HydrophobicContact CB-CD1 4.32Å; L206-I227 HydrophobicContact CD1-CD1 4.21Å; L206-I227 PolarHBondContact N-O 3.4Å; L206-I227 PolarHBondContact O-N 3.08Å; L225-I227 HydrophobicContact CD1-CG1 4.42Å; L225-I227 HydrophobicContact CD2-CD1 4.37Å; L225-I227 HydrophobicContact CG-CD1 4.47Å; L225-I227 HydrophobicContact CG-CG1 4.26Å; I227-L229 HydrophobicContact CG2-CD2 4.31Å; I227-L229 PolarHBondContact O-N 2.9Å; I227-S233 VanDerWaalsContact CA-O 3.32Å; I227-S233 WeakPolarHBondContact CA-O 3.5Å; I227-V234 HydrophobicContact CG1-CG1 4.43Å; I227-V234 HydrophobicContact CG1-CG2 4.35Å; I227-V234 HydrophobicContact CG2-CG2 4.37Å
228	D	97	Very high	95	Very high	28 Å²	28	55.2 Å²	55.2	15%	0.15	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	109.5	170.1	-172.4	-52.9	0	0	0	108.6	K230 Q231 G232 S233	D228-K230 VanDerWaalsContact C-N 3.26Å; D228-K230 PolarHBondContact O-N 2.77Å; D228-K230 WeakPolarHBondContact OD1-CA 3.5Å; D228-K230 WeakPolarHBondContact OD1-CB 3.23Å; D228-K230 PolarHBondContact OD1-N 3.25Å; D228-Q231 HydrophobicContact CB-CB 4.19Å; D228-Q231 PolarHBondContact O-N 3.1Å; D228-Q231 PolarHBondContact OD1-N 2.85Å; D228-G232 VanDerWaalsContact O-CA 3.29Å; D228-G232 WeakPolarHBondContact O-CA 3.45Å; D228-G232 PolarHBondContact O-N 2.75Å; D228-S233 PolarHBondContact N-O 2.8Å; D228-S233 PolarHBondContact O-N 3.17Å
229	L	96.1	Very high	95.2	Very high	37 Å²	37	47.5 Å²	47.5	19%	0.194	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-25.2	-176.5	-65.5	178	0	0	0	113	F184 L201 Q204 L206 I227	F184-L229 HydrophobicContact CB-CD2 3.8Å; F184-L229 HydrophobicContact CD2-CD2 3.93Å; F184-L229 HydrophobicContact CG-CD2 4.05Å; L201-L229 HydrophobicContact CD1-CD1 3.85Å; Q204-L229 VanDerWaalsContact O-CB 3.27Å; Q204-L229 WeakPolarHBondContact O-CB 3.16Å; Q204-L229 WeakPolarHBondContact O-CG 3.29Å; Q204-L229 PolarHBondContact O-N 2.82Å; L206-L229 HydrophobicContact CD1-CD1 4.49Å; L206-L229 HydrophobicContact CD1-CD2 3.7Å; L206-L229 HydrophobicContact CD1-CG 4.38Å; L206-L229 HydrophobicContact CG-CD1 4.25Å; L206-L229 HydrophobicContact CG-CD2 4.17Å; L206-L229 HydrophobicContact CG-CG 4.31Å; I227-L229 HydrophobicContact CG2-CD2 4.31Å; I227-L229 PolarHBondContact O-N 2.9Å
230	K	94	Very high	94.7	Very high	156 Å²	156	51.3 Å²	51.3	68%	0.678	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-41.2	179.1	-66.1	177.1	-179.5	165.8	0	110.7	Q204 D228	Q204-K230 HydrophobicContact CB-CG 4.37Å; D228-K230 VanDerWaalsContact C-N 3.26Å; D228-K230 PolarHBondContact O-N 2.77Å; D228-K230 WeakPolarHBondContact OD1-CA 3.5Å; D228-K230 WeakPolarHBondContact OD1-CB 3.23Å; D228-K230 PolarHBondContact OD1-N 3.25Å
231	Q	93.1	Very high	94	Very high	150 Å²	150	53.7 Å²	53.7	70%	0.701	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-19	-179.3	-61.2	-179.5	5.5	0	0	112.8	D228 S233	D228-Q231 HydrophobicContact CB-CB 4.19Å; D228-Q231 PolarHBondContact O-N 3.1Å; D228-Q231 PolarHBondContact OD1-N 2.85Å; Q231-S233 PolarHBondContact O-N 2.9Å
232	G	93.2	Very high	93.8	Very high	39 Å²	39	59.8 Å²	59.8	40%	0.402	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.8	25.2	-171	0	0	0	0	0	113.2	D228	D228-G232 VanDerWaalsContact O-CA 3.29Å; D228-G232 WeakPolarHBondContact O-CA 3.45Å; D228-G232 PolarHBondContact O-N 2.75Å
233	S	93.9	Very high	93.8	Very high	40 Å²	40	59.3 Å²	59.3	28%	0.28	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	141.5	-177	64.4	0	0	0	0	110.9	I227 D228 Q231	I227-S233 VanDerWaalsContact CA-O 3.32Å; I227-S233 WeakPolarHBondContact CA-O 3.5Å; D228-S233 PolarHBondContact N-O 2.8Å; D228-S233 PolarHBondContact O-N 3.17Å; Q231-S233 PolarHBondContact O-N 2.9Å
234	V	95.6	Very high	93.9	Very high	56 Å²	56	57.6 Å²	57.6	34%	0.339	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	119.5	179.7	-176.7	0	0	0	0	108.1	F184 V186 L225 I227	F184-V234 HydrophobicContact CE1-CG2 3.7Å; F184-V234 HydrophobicContact CZ-CG2 4.04Å; V186-V234 HydrophobicContact CG1-CG1 4.45Å; V186-V234 HydrophobicContact CG2-CG2 4.23Å; L225-V234 HydrophobicContact CD1-CG1 3.32Å; I227-V234 HydrophobicContact CG1-CG1 4.43Å; I227-V234 HydrophobicContact CG1-CG2 4.35Å; I227-V234 HydrophobicContact CG2-CG2 4.37Å
235	T	96.3	Very high	93.8	Very high	52 Å²	52	59.8 Å²	59.8	32%	0.319	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	149	-177.5	-51.6	0	0	0	0	110.5	S226 Y237	S226-T235 PolarHBondContact N-O 2.92Å; S226-T235 PolarHBondContact O-N 3.15Å; S226-T235 VanDerWaalsContact O-O 3.12Å; T235-Y237 HydrophobicContact CG2-CD2 4.22Å; T235-Y237 HydrophobicContact CG2-CE1 4.09Å; T235-Y237 HydrophobicContact CG2-CE2 3.62Å
236	Y	95.6	Very high	93.7	Very high	55 Å²	55	60 Å²	60	22%	0.216	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	133.7	174.3	-68.4	-92.1	0	0	0	109.7	L189 S190 L210 E223 V224 L225	L189-Y236 WeakPolarHBondContact CA-OH 3.28Å; S190-Y236 VanDerWaalsContact CB-CZ 3.42Å; S190-Y236 PolarHBondContact N-OH 3.06Å; S190-Y236 WeakPolarHBondContact OG-CE1 3.31Å; L210-Y236 HydrophobicContact CD1-CE1 3.77Å; E223-Y236 HydrophobicContact CG-CD1 3.96Å; E223-Y236 HydrophobicContact CG-CG 4.49Å; E223-Y236 WeakPolarHBondContact OE2-CB 3.43Å; V224-Y236 WeakPolarHBondContact O-CA 3.24Å; L225-Y236 HydrophobicContact CB-CD1 4.43Å; L225-Y236 HydrophobicContact CB-CE1 4.07Å; L225-Y236 HydrophobicContact CD1-CD1 4.33Å; L225-Y236 HydrophobicContact CD1-CE1 3.77Å; L225-Y236 HydrophobicContact CD1-CE2 4.04Å; L225-Y236 HydrophobicContact CG-CE1 4.47Å
237	Y	96	Very high	93.4	Very high	100 Å²	100	59.9 Å²	59.9	39%	0.392	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	135.6	178.9	-64.7	-83.4	0	0	0	110.6	E223 V224 T235 Y289	E223-Y237 CarbonylContact C-O 3.57Å; E223-Y237 VanDerWaalsContact CA-O 3.28Å; E223-Y237 WeakPolarHBondContact CA-O 3.31Å; V224-Y237 PolarHBondContact N-O 2.83Å; V224-Y237 PolarHBondContact O-N 2.89Å; T235-Y237 HydrophobicContact CG2-CD2 4.22Å; T235-Y237 HydrophobicContact CG2-CE1 4.09Å; T235-Y237 HydrophobicContact CG2-CE2 3.62Å; Y237-Y289 HydrophobicContact CD1-CE2 4.41Å; Y237-Y289 HydrophobicContact CD2-CD2 4.2Å; Y237-Y289 AromaticContact CD2-CE2 3.45Å; Y237-Y289 HydrophobicContact CD2-CE2 3.45Å; Y237-Y289 VanDerWaalsContact CD2-CE2 3.45Å; Y237-Y289 HydrophobicContact CE2-CE2 4.09Å; Y237-Y289 AromaticContact CG-CD2 3.95Å; Y237-Y289 HydrophobicContact CG-CD2 3.95Å; Y237-Y289 AromaticContact CG-CE2 3.63Å; Y237-Y289 HydrophobicContact CG-CE2 3.63Å
238	P	95.9	Very high	93	Very high	85 Å²	85	63.3 Å²	63.3	55%	0.552	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.1	144.9	171.7	30.3	-34.3	0	0	0	110.1	E222	E222-P238 CarbonylContact O-C 3.56Å; E222-P238 WeakPolarHBondContact O-CA 3.39Å
239	T	94.3	Very high	92.7	Very high	1 Å²	1	66.8 Å²	66.8	1%	0.006	36%	0.357	C	S	.	.			trans	-84.8	143	167.9	64.5	0	0	0	0	109.3	S221 E222 V224 R243 Y289 Y291	S221-T239 WeakPolarHBondContact O-CB 3.38Å; S221-T239 WeakPolarHBondContact O-CG2 3.34Å; S221-T239 PolarHBondContact O-OG1 2.82Å; E222-T239 VanDerWaalsContact CA-OG1 3.32Å; E222-T239 WeakPolarHBondContact CA-OG1 3.49Å; E222-T239 PolarHBondContact O-N 2.89Å; E222-T239 PolarHBondContact O-OG1 2.83Å; V224-T239 HydrophobicContact CG1-CG2 3.59Å; T239-R243 PolarHBondContact O-NH2 2.84Å; T239-R243 PolarHBondContact OG1-NE 2.93Å; T239-Y289 WeakPolarHBondContact CA-O 3.32Å; T239-Y291 HydrophobicContact CG2-CD2 4.38Å; T239-Y291 HydrophobicContact CG2-CE2 3.73Å
240	N	83	Confident	92.6	Very high	89 Å²	89	65.2 Å²	65.2	48%	0.476	35%	0.35	S	S	.	.	B	Isolated β-bridge	trans	-107.8	159.3	-179.5	-50.1	-67.8	0	0	0	111.5	N290	N240-N290 WeakPolarHBondContact CB-OD1 3.29Å; N240-N290 PolarHBondContact ND2-OD1 3.45Å
241	G	79.7	Confident	92.8	Very high	61 Å²	61	58.4 Å²	58.4	63%	0.629	32%	0.322	S	S	*	.	S	Bend	trans	83.8	-162.6	174	0	0	0	0	0	114.5
242	E	90.5	Very high	92.9	Very high	146 Å²	146	54.6 Å²	54.6	68%	0.682	31%	0.306	S	S	*	.			trans	-64.1	156.2	171.1	-60.9	-170.5	158.3	0	0	110.4	W282 Y291	E242-W282 HydrophobicContact CB-CH2 3.79Å; E242-W282 HydrophobicContact CB-CZ3 4.1Å; E242-Y291 WeakPolarHBondContact O-CB 3.32Å
243	R	94.1	Very high	93.1	Very high	98 Å²	98	53.8 Å²	53.8	37%	0.37	30%	0.295	S	S	.	.			trans	-132.1	151.6	-177.1	-60.7	-176.2	-174.1	94.1	3.6	110.6	T239 W282 Y291	T239-R243 PolarHBondContact O-NH2 2.84Å; T239-R243 PolarHBondContact OG1-NE 2.93Å; R243-W282 WeakPolarHBondContact O-CH2 3.41Å; R243-Y291 HydrophobicContact CG-CD2 4.22Å
244	P	96.5	Very high	93.3	Very high	6 Å²	6	53.7 Å²	53.7	4%	0.039	29%	0.292	C	S	.	.			trans	-57.7	138.5	175.5	-19.7	29.4	0	0	0	111.1	W219 W246 L263 W282 Y291	W219-P244 HydrophobicContact CH2-CB 4.12Å; W219-P244 HydrophobicContact CH2-CG 4.03Å; W219-P244 HydrophobicContact CZ2-CB 4.03Å; W219-P244 HydrophobicContact CZ2-CG 4.37Å; P244-W246 HydrophobicContact CB-CD2 3.91Å; P244-W246 HydrophobicContact CB-CE3 3.43Å; P244-W246 VanDerWaalsContact CB-CE3 3.43Å; P244-W246 HydrophobicContact CB-CH2 4.05Å; P244-W246 HydrophobicContact CB-CZ2 4.45Å; P244-W246 HydrophobicContact CB-CZ3 3.49Å; P244-W246 VanDerWaalsContact CB-CZ3 3.49Å; P244-W246 HydrophobicContact CG-CE3 4.32Å; P244-W246 HydrophobicContact CG-CZ3 4.01Å; P244-W246 PolarHBondContact O-N 2.9Å; P244-W246 VanDerWaalsContact O-N 3.16Å; P244-L263 HydrophobicContact CG-CD1 4.41Å; P244-W282 HydrophobicContact CB-CD2 4.03Å; P244-W282 HydrophobicContact CB-CG 3.98Å; P244-W282 HydrophobicContact CG-CB 3.94Å; P244-W282 HydrophobicContact CG-CD2 3.65Å; P244-W282 HydrophobicContact CG-CE3 3.93Å; P244-W282 HydrophobicContact CG-CG 3.66Å; P244-Y291 HydrophobicContact CG-CD1 3.8Å; P244-Y291 HydrophobicContact CG-CE1 3.96Å; P244-Y291 HydrophobicContact CG-CG 4.38Å
245	P	94	Very high	93.4	Very high	45 Å²	45	52.7 Å²	52.7	29%	0.292	28%	0.283	S	S	.	.			trans	-80.4	6.6	-170.6	34.3	-38.2	0	0	0	113.6	E280	P245-E280 WeakPolarHBondContact CD-OE2 3.34Å; P245-E280 WeakPolarHBondContact CG-OE2 3.39Å
246	W	94.8	Very high	93.4	Very high	6 Å²	6	50.8 Å²	50.8	2%	0.023	27%	0.271	C	S	.	.			trans	-73.9	148.8	-171.4	-51	-47	0	0	0	112.4	W219 P244 P251 L263 G265 G266 S267 S278 E280 W282	W219-W246 AromaticContact CH2-CE3 3.99Å; W219-W246 HydrophobicContact CH2-CE3 3.99Å; W219-W246 HydrophobicContact CH2-CZ3 4.39Å; W219-W246 HydrophobicContact CZ2-CB 4.33Å; W219-W246 AromaticContact CZ2-CE3 3.92Å; W219-W246 HydrophobicContact CZ2-CE3 3.92Å; W219-W246 PolarHBondContact NE1-O 2.87Å; P244-W246 HydrophobicContact CB-CD2 3.91Å; P244-W246 HydrophobicContact CB-CE3 3.43Å; P244-W246 VanDerWaalsContact CB-CE3 3.43Å; P244-W246 HydrophobicContact CB-CH2 4.05Å; P244-W246 HydrophobicContact CB-CZ2 4.45Å; P244-W246 HydrophobicContact CB-CZ3 3.49Å; P244-W246 VanDerWaalsContact CB-CZ3 3.49Å; P244-W246 HydrophobicContact CG-CE3 4.32Å; P244-W246 HydrophobicContact CG-CZ3 4.01Å; P244-W246 PolarHBondContact O-N 2.9Å; P244-W246 VanDerWaalsContact O-N 3.16Å; W246-P251 HydrophobicContact CE3-CB 3.82Å; W246-P251 HydrophobicContact CE3-CG 4.48Å; W246-P251 HydrophobicContact CH2-CB 4.33Å; W246-P251 HydrophobicContact CZ3-CB 3.61Å; W246-P251 HydrophobicContact CZ3-CG 4.39Å; W246-L263 HydrophobicContact CH2-CB 3.83Å; W246-L263 HydrophobicContact CZ3-CB 3.65Å; W246-L263 HydrophobicContact CZ3-CD1 4.37Å; W246-G265 VanDerWaalsContact CE2-C 3.42Å; W246-G265 VanDerWaalsContact CE2-O 3.23Å; W246-G265 WeakPolarHBondContact CZ2-O 3.36Å; W246-G266 VanDerWaalsContact CD1-C 3.45Å; W246-S267 CarbonylContact C-O 3.57Å; W246-S267 WeakPolarHBondContact CA-O 3.27Å; W246-S278 PolarHBondContact NE1-OG 3.14Å; W246-E280 HydrophobicContact CZ2-CB 4.32Å; W246-E280 VanDerWaalsContact CZ2-O 3.31Å; W246-E280 WeakPolarHBondContact CZ2-O 3.4Å; W246-W282 HydrophobicContact CH2-CB 4.28Å; W246-W282 AromaticContact CH2-CD1 3.72Å; W246-W282 HydrophobicContact CH2-CG 4.28Å; W246-W282 AromaticContact CZ2-CD1 3.85Å
247	A	89.6	Confident	93.4	Very high	7 Å²	7	49.9 Å²	49.9	6%	0.058	27%	0.267	C	S	.	.			trans	-110.8	-175.2	175.3	0	0	0	0	0	110	N249 G250 S267 A269	A247-N249 PolarHBondContact O-N 2.83Å; A247-N249 VanDerWaalsContact O-N 3.17Å; A247-G250 PolarHBondContact O-N 2.96Å; A247-S267 PolarHBondContact N-O 2.84Å; A247-A269 HydrophobicContact CB-CB 3.96Å
248	F	89.7	Confident	93.3	Very high	72 Å²	72	50 Å²	50	32%	0.316	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.2	-116.2	172.5	-45.9	-68	0	0	0	113.4	F217 R218 W219 G250 A269 M275	F217-F248 VanDerWaalsContact O-CA 3.31Å; F217-F248 WeakPolarHBondContact O-CA 3.32Å; R218-F248 CarbonylContact C-O 3.59Å; R218-F248 VanDerWaalsContact CA-O 3.31Å; R218-F248 WeakPolarHBondContact CA-O 3.34Å; W219-F248 PolarHBondContact N-O 2.93Å; F248-G250 PolarHBondContact O-N 2.81Å; F248-A269 HydrophobicContact CE2-CB 4.28Å; F248-A269 HydrophobicContact CZ-CB 4.31Å; F248-M275 HydrophobicContact CD2-CE 4.17Å; F248-M275 HydrophobicContact CE2-CB 4.24Å; F248-M275 HydrophobicContact CE2-CE 3.71Å; F248-M275 HydrophobicContact CE2-SD 4.41Å; F248-M275 HydrophobicContact CZ-CE 4.06Å
249	N	90	Very high	93.3	Very high	101 Å²	101	48.1 Å²	48.1	54%	0.54	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-6.6	-178.3	-61.8	-34.6	0	0	0	113.2	V197 F217 A247	V197-N249 VanDerWaalsContact CG1-O 3.23Å; V197-N249 WeakPolarHBondContact CG1-O 3.32Å; F217-N249 VanDerWaalsContact CD1-OD1 3.28Å; F217-N249 WeakPolarHBondContact CD1-OD1 3.39Å; A247-N249 PolarHBondContact O-N 2.83Å; A247-N249 VanDerWaalsContact O-N 3.17Å
250	G	95.2	Very high	93.4	Very high	4 Å²	4	48.5 Å²	48.5	4%	0.041	26%	0.262	C	S	.	.			trans	86.4	-136	-177.9	0	0	0	0	0	111.9	A247 F248	A247-G250 PolarHBondContact O-N 2.96Å; F248-G250 PolarHBondContact O-N 2.81Å
251	P	97.4	Very high	94.1	Very high	13 Å²	13	44.3 Å²	44.3	8%	0.084	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	148.7	179	25.4	-33.6	0	0	0	111.8	F198 W219 W246 T254 L263 G265	F198-P251 HydrophobicContact CD1-CG 4.23Å; F198-P251 HydrophobicContact CE1-CG 3.79Å; W219-P251 VanDerWaalsContact CZ3-CD 3.47Å; W219-P251 HydrophobicContact CZ3-CG 4.32Å; W246-P251 HydrophobicContact CE3-CB 3.82Å; W246-P251 HydrophobicContact CE3-CG 4.48Å; W246-P251 HydrophobicContact CH2-CB 4.33Å; W246-P251 HydrophobicContact CZ3-CB 3.61Å; W246-P251 HydrophobicContact CZ3-CG 4.39Å; P251-T254 HydrophobicContact CB-CG2 3.9Å; P251-T254 HydrophobicContact CG-CG2 3.32Å; P251-L263 HydrophobicContact CB-CB 4.05Å; P251-L263 HydrophobicContact CG-CB 4.47Å; P251-L263 HydrophobicContact CG-CD2 4.23Å; P251-G265 CarbonylContact C-O 3.58Å; P251-G265 WeakPolarHBondContact CA-O 3.28Å
252	D	96.4	Very high	95	Very high	71 Å²	71	41.4 Å²	41.4	38%	0.38	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	-45.3	172.9	179.5	84.2	0	0	0	111.1	V264 G265 F277	D252-V264 WeakPolarHBondContact CB-O 3.39Å; D252-V264 PolarHBondContact N-O 2.76Å; D252-G265 PolarHBondContact N-O 2.85Å; D252-F277 HydrophobicContact CB-CE2 4.43Å
253	S	97.1	Very high	95.3	Very high	22 Å²	22	34.5 Å²	34.5	15%	0.154	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	146.4	177.6	-62.4	0	0	0	0	111.7	V264 S309	S253-V264 PolarHBondContact N-O 2.83Å; S253-V264 PolarHBondContact O-N 2.83Å; S253-S309 WeakPolarHBondContact CB-OG 3.38Å; S253-S309 PolarHBondContact OG-OG 3.03Å
254	T	97.7	Very high	95.5	Very high	38 Å²	38	29.8 Å²	29.8	23%	0.233	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	130.8	179.8	58.8	0	0	0	0	111.6	F198 P251 L262 L263	F198-T254 HydrophobicContact CB-CG2 4.42Å; F198-T254 HydrophobicContact CD1-CG2 3.75Å; F198-T254 HydrophobicContact CE1-CG2 4.08Å; F198-T254 HydrophobicContact CG-CG2 4.06Å; P251-T254 HydrophobicContact CB-CG2 3.9Å; P251-T254 HydrophobicContact CG-CG2 3.32Å; T254-L262 WeakPolarHBondContact CA-O 3.35Å; T254-L263 HydrophobicContact CG2-CD2 3.62Å
255	F	97.8	Very high	95.6	Very high	34 Å²	34	29.5 Å²	29.5	15%	0.149	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	134.8	178.7	-51	-75.3	0	0	0	110.1	F261 L262 V264 S309 F311 L318	F255-F261 CarbonylContact O-C 3.46Å; F255-F261 WeakPolarHBondContact O-CA 3.4Å; F255-L262 HydrophobicContact CB-CB 4.36Å; F255-L262 PolarHBondContact N-O 3.34Å; F255-L262 PolarHBondContact O-N 3.46Å; F255-V264 HydrophobicContact CD2-CG2 4.28Å; F255-V264 HydrophobicContact CE2-CG2 4.1Å; F255-S309 WeakPolarHBondContact CE2-OG 3.41Å; F255-S309 WeakPolarHBondContact CZ-OG 3.35Å; F255-F311 HydrophobicContact CB-CB 3.92Å; F255-F311 HydrophobicContact CB-CD1 3.84Å; F255-F311 HydrophobicContact CB-CG 4.08Å; F255-F311 HydrophobicContact CD1-CB 3.61Å; F255-F311 HydrophobicContact CD2-CB 3.83Å; F255-F311 HydrophobicContact CE1-CB 4.06Å; F255-F311 HydrophobicContact CE2-CB 4.26Å; F255-F311 HydrophobicContact CG-CB 3.48Å; F255-F311 VanDerWaalsContact CG-CB 3.48Å; F255-F311 HydrophobicContact CG-CD1 4.37Å; F255-F311 HydrophobicContact CG-CG 4.16Å; F255-F311 HydrophobicContact CZ-CB 4.37Å; F255-L318 HydrophobicContact CD2-CD1 3.93Å; F255-L318 HydrophobicContact CE2-CD1 3.71Å
256	Q	97.2	Very high	95.7	Very high	13 Å²	13	27.5 Å²	27.5	6%	0.061	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	130	170.2	-173.1	-177.2	-33.5	0	0	109.6	T148 L201 N258 F261 L286	T148-Q256 HydrophobicContact CG2-CB 3.49Å; T148-Q256 VanDerWaalsContact CG2-CB 3.49Å; L201-Q256 PolarHBondContact O-NE2 3.02Å; Q256-N258 PolarHBondContact NE2-O 2.95Å; Q256-F261 HydrophobicContact CB-CD1 4.09Å; Q256-F261 HydrophobicContact CB-CE1 3.82Å; Q256-F261 HydrophobicContact CG-CE1 4.4Å; Q256-L286 HydrophobicContact CG-CD1 4.26Å
257	W	95.6	Very high	95.7	Very high	35 Å²	35	28.6 Å²	28.6	13%	0.133	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	107.3	171.5	-168.8	31.6	0	0	0	109.6	N259 T260 L262 F311 A313 M332 T333 V336	W257-N259 PolarHBondContact O-N 3.34Å; W257-T260 PolarHBondContact N-O 3.2Å; W257-T260 WeakPolarHBondContact O-CB 3.32Å; W257-T260 PolarHBondContact O-N 3.47Å; W257-L262 HydrophobicContact CE3-CD1 4.43Å; W257-F311 HydrophobicContact CB-CE1 3.68Å; W257-F311 HydrophobicContact CB-CZ 4Å; W257-F311 AromaticContact CD1-CE1 3.96Å; W257-F311 HydrophobicContact CD2-CE1 4.23Å; W257-F311 AromaticContact CD2-CZ 3.71Å; W257-F311 HydrophobicContact CD2-CZ 3.71Å; W257-F311 HydrophobicContact CE3-CZ 4.03Å; W257-F311 AromaticContact CG-CE1 3.71Å; W257-F311 HydrophobicContact CG-CE1 3.71Å; W257-F311 AromaticContact CG-CZ 3.71Å; W257-F311 HydrophobicContact CG-CZ 3.71Å; W257-A313 PolarHBondContact NE1-O 3.18Å; W257-M332 HydrophobicContact CE3-CB 4.39Å; W257-M332 HydrophobicContact CH2-CB 4.21Å; W257-M332 HydrophobicContact CZ3-CB 3.68Å; W257-T333 HydrophobicContact CH2-CG2 3.64Å; W257-T333 HydrophobicContact CZ2-CG2 3.89Å; W257-V336 HydrophobicContact CE3-CB 4.19Å; W257-V336 HydrophobicContact CE3-CG1 4.35Å; W257-V336 HydrophobicContact CE3-CG2 4.12Å; W257-V336 HydrophobicContact CZ3-CB 3.85Å; W257-V336 HydrophobicContact CZ3-CG1 4.47Å; W257-V336 HydrophobicContact CZ3-CG2 3.87Å
258	N	93.4	Very high	95.9	Very high	104 Å²	104	32.8 Å²	32.8	56%	0.556	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.9	-118.9	-172.6	-62.7	-33.1	0	0	0	112.2	Q256 T260	Q256-N258 PolarHBondContact NE2-O 2.95Å; N258-T260 VanDerWaalsContact C-N 3.31Å
259	N	95.5	Very high	95.9	Very high	44 Å²	44	31.3 Å²	31.3	24%	0.235	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	19	177.4	66.3	-51.2	0	0	0	113	Y202 W257 D285 L286 V287	Y202-N259 HydrophobicContact CD1-CB 3.83Å; Y202-N259 HydrophobicContact CD2-CB 3.77Å; Y202-N259 HydrophobicContact CE1-CB 3.73Å; Y202-N259 HydrophobicContact CE2-CB 3.67Å; Y202-N259 HydrophobicContact CG-CB 3.85Å; W257-N259 PolarHBondContact O-N 3.34Å; N259-D285 PolarHBondContact ND2-OD2 2.87Å; N259-L286 WeakPolarHBondContact O-CB 3.29Å; N259-L286 VanDerWaalsContact O-CG 3.31Å; N259-L286 WeakPolarHBondContact O-CG 3.38Å; N259-L286 PolarHBondContact O-N 2.94Å; N259-V287 HydrophobicContact CB-CG2 4.25Å
260	T	96.4	Very high	95.8	Very high	10 Å²	10	30.9 Å²	30.9	6%	0.061	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	138.7	-175.2	-51.3	0	0	0	0	110	W257 N258 A283 L284 V336	W257-T260 PolarHBondContact N-O 3.2Å; W257-T260 WeakPolarHBondContact O-CB 3.32Å; W257-T260 PolarHBondContact O-N 3.47Å; N258-T260 VanDerWaalsContact C-N 3.31Å; T260-A283 HydrophobicContact CG2-CB 3.74Å; T260-L284 CarbonylContact C-O 3.51Å; T260-L284 WeakPolarHBondContact CA-O 3.47Å; T260-V336 HydrophobicContact CG2-CG1 3.72Å
261	F	97.6	Very high	95.3	Very high	1 Å²	1	33.8 Å²	33.8	0%	0.004	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	126.7	159.9	-87.4	-55.6	0	0	0	110.6	T148 F198 A199 G200 F255 Q256 L263 A283 L284 L286	T148-F261 HydrophobicContact CG2-CE1 3.96Å; T148-F261 HydrophobicContact CG2-CZ 4.49Å; F198-F261 HydrophobicContact CD2-CD1 4.45Å; F198-F261 AromaticContact CD2-CD2 3.97Å; F198-F261 HydrophobicContact CD2-CD2 3.97Å; F198-F261 HydrophobicContact CD2-CE1 4.24Å; F198-F261 AromaticContact CD2-CE2 3.72Å; F198-F261 HydrophobicContact CD2-CE2 3.72Å; F198-F261 HydrophobicContact CD2-CG 4.34Å; F198-F261 AromaticContact CD2-CZ 3.85Å; F198-F261 HydrophobicContact CD2-CZ 3.85Å; F198-F261 AromaticContact CE2-CD2 3.74Å; F198-F261 HydrophobicContact CE2-CD2 3.74Å; F198-F261 AromaticContact CE2-CE2 3.93Å; F198-F261 HydrophobicContact CE2-CE2 3.93Å; F198-F261 HydrophobicContact CE2-CG 4.14Å; F198-F261 HydrophobicContact CE2-CZ 4.46Å; A199-F261 VanDerWaalsContact C-CZ 3.44Å; G200-F261 VanDerWaalsContact N-CZ 3.32Å; F255-F261 CarbonylContact O-C 3.46Å; F255-F261 WeakPolarHBondContact O-CA 3.4Å; Q256-F261 HydrophobicContact CB-CD1 4.09Å; Q256-F261 HydrophobicContact CB-CE1 3.82Å; Q256-F261 HydrophobicContact CG-CE1 4.4Å; F261-L263 HydrophobicContact CB-CD2 3.93Å; F261-L263 HydrophobicContact CB-CG 4.49Å; F261-A283 CarbonylContact O-C 3.43Å; F261-A283 VanDerWaalsContact O-CA 3.22Å; F261-A283 WeakPolarHBondContact O-CA 3.38Å; F261-L284 HydrophobicContact CB-CB 4.12Å; F261-L284 HydrophobicContact CD2-CD2 4.32Å; F261-L284 PolarHBondContact N-O 3.48Å; F261-L284 PolarHBondContact O-N 3.45Å; F261-L286 HydrophobicContact CD2-CD2 3.35Å; F261-L286 HydrophobicContact CD2-CG 4.32Å; F261-L286 HydrophobicContact CE2-CD2 3.57Å; F261-L286 HydrophobicContact CG-CD2 4.32Å
262	L	97.9	Very high	94.4	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	126.6	162.5	-62.3	-179.7	0	0	0	109	T254 F255 W257 L294 F311 M332 V336	T254-L262 WeakPolarHBondContact CA-O 3.35Å; F255-L262 HydrophobicContact CB-CB 4.36Å; F255-L262 PolarHBondContact N-O 3.34Å; F255-L262 PolarHBondContact O-N 3.46Å; W257-L262 HydrophobicContact CE3-CD1 4.43Å; L262-L294 HydrophobicContact CD2-CD1 4.25Å; L262-F311 HydrophobicContact CD1-CD2 4.02Å; L262-F311 HydrophobicContact CD1-CE1 4.12Å; L262-F311 HydrophobicContact CD1-CE2 3.61Å; L262-F311 HydrophobicContact CD1-CG 4.46Å; L262-F311 HydrophobicContact CD1-CZ 3.66Å; L262-M332 HydrophobicContact CD1-CB 4.46Å; L262-M332 HydrophobicContact CD1-CG 4.08Å; L262-M332 HydrophobicContact CD2-CE 4.14Å; L262-V336 HydrophobicContact CD2-CG2 3.85Å
263	L	98.3	Very high	93.6	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	120.4	-178.5	-47.3	178.8	0	0	0	108	F198 P244 W246 P251 T254 F261 I281 W282 L284 Y291	F198-L263 HydrophobicContact CE1-CD2 4.15Å; F198-L263 HydrophobicContact CE2-CD2 4.02Å; F198-L263 HydrophobicContact CZ-CD1 4.26Å; F198-L263 HydrophobicContact CZ-CD2 3.66Å; P244-L263 HydrophobicContact CG-CD1 4.41Å; W246-L263 HydrophobicContact CH2-CB 3.83Å; W246-L263 HydrophobicContact CZ3-CB 3.65Å; W246-L263 HydrophobicContact CZ3-CD1 4.37Å; P251-L263 HydrophobicContact CB-CB 4.05Å; P251-L263 HydrophobicContact CG-CB 4.47Å; P251-L263 HydrophobicContact CG-CD2 4.23Å; T254-L263 HydrophobicContact CG2-CD2 3.62Å; F261-L263 HydrophobicContact CB-CD2 3.93Å; F261-L263 HydrophobicContact CB-CG 4.49Å; L263-I281 WeakPolarHBondContact O-CA 3.39Å; L263-W282 HydrophobicContact CB-CB 4.33Å; L263-W282 PolarHBondContact N-O 3.38Å; L263-W282 PolarHBondContact O-N 2.85Å; L263-L284 HydrophobicContact CD1-CB 4.46Å; L263-Y291 HydrophobicContact CD1-CD1 4.17Å; L263-Y291 HydrophobicContact CD1-CE1 3.59Å
264	V	98.3	Very high	93.1	Very high	0 Å²	0	47 Å²	47	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	116	-167.4	177.5	0	0	0	0	109.7	D252 S253 F255 I281 V298 L307 L318 F320	D252-V264 WeakPolarHBondContact CB-O 3.39Å; D252-V264 PolarHBondContact N-O 2.76Å; S253-V264 PolarHBondContact N-O 2.83Å; S253-V264 PolarHBondContact O-N 2.83Å; F255-V264 HydrophobicContact CD2-CG2 4.28Å; F255-V264 HydrophobicContact CE2-CG2 4.1Å; V264-I281 HydrophobicContact CG2-CG2 4.36Å; V264-V298 HydrophobicContact CG1-CG2 3.79Å; V264-L307 HydrophobicContact CG1-CD2 4.3Å; V264-L318 HydrophobicContact CG2-CD1 4.19Å; V264-L318 HydrophobicContact CG2-CD2 3.78Å; V264-F320 HydrophobicContact CG1-CD1 4.19Å; V264-F320 HydrophobicContact CG1-CE1 3.62Å
265	G	97.4	Very high	92.8	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	58.5	176.4	173.2	0	0	0	0	0	114.4	W246 P251 D252 S278 E280	W246-G265 VanDerWaalsContact CE2-C 3.42Å; W246-G265 VanDerWaalsContact CE2-O 3.23Å; W246-G265 WeakPolarHBondContact CZ2-O 3.36Å; P251-G265 CarbonylContact C-O 3.58Å; P251-G265 WeakPolarHBondContact CA-O 3.28Å; D252-G265 PolarHBondContact N-O 2.85Å; G265-S278 CarbonylContact C-O 3.53Å; G265-S278 WeakPolarHBondContact CA-O 3.26Å; G265-E280 WeakPolarHBondContact CA-O 3.35Å; G265-E280 PolarHBondContact N-O 3.03Å
266	G	96.6	Very high	92.6	Very high	3 Å²	3	49.6 Å²	49.6	3%	0.031	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	160.3	171.6	173.9	0	0	0	0	0	113.9	W246 K268 S278	W246-G266 VanDerWaalsContact CD1-C 3.45Å; G266-K268 PolarHBondContact O-N 3.27Å; G266-S278 PolarHBondContact N-O 3.49Å; G266-S278 VanDerWaalsContact N-O 3.11Å; G266-S278 WeakPolarHBondContact O-CB 3.44Å; G266-S278 PolarHBondContact O-N 3Å
267	S	95.4	Very high	92.6	Very high	28 Å²	28	50.4 Å²	50.4	20%	0.196	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	122.5	-177.4	-59.3	0	0	0	0	111.4	W246 A247 F305	W246-S267 CarbonylContact C-O 3.57Å; W246-S267 WeakPolarHBondContact CA-O 3.27Å; A247-S267 PolarHBondContact N-O 2.84Å; S267-F305 WeakPolarHBondContact OG-CE1 3.36Å
268	K	93.6	Very high	92.6	Very high	96 Å²	96	49.2 Å²	49.2	42%	0.417	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	127.3	168.6	-175.9	176.9	-178.9	176.3	0	110	G266 L270 M275 S276	G266-K268 PolarHBondContact O-N 3.27Å; K268-L270 PolarHBondContact O-N 2.65Å; K268-M275 CarbonylContact O-C 3.57Å; K268-M275 VanDerWaalsContact O-CA 3.23Å; K268-M275 WeakPolarHBondContact O-CA 3.42Å; K268-M275 WeakPolarHBondContact O-CB 3.12Å; K268-S276 PolarHBondContact N-O 2.89Å; K268-S276 PolarHBondContact O-N 3.2Å
269	A	89.7	Confident	92.8	Very high	40 Å²	40	45.9 Å²	45.9	33%	0.331	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	131.1	176.2	0	0	0	0	0	111.3	A247 F248	A247-A269 HydrophobicContact CB-CB 3.96Å; F248-A269 HydrophobicContact CE2-CB 4.28Å; F248-A269 HydrophobicContact CZ-CB 4.31Å
270	L	88.4	Confident	92.9	Very high	92 Å²	92	45.4 Å²	45.4	48%	0.482	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	78.2	173.5	-64.9	-176.5	0	0	0	108.8	K268 N274	K268-L270 PolarHBondContact O-N 2.65Å; L270-N274 HydrophobicContact CB-CB 4.08Å; L270-N274 PolarHBondContact N-O 3.39Å; L270-N274 WeakPolarHBondContact O-CB 3.29Å
271	G	84.4	Confident	93	Very high	66 Å²	66	45 Å²	45	68%	0.68	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.7	-144.4	-170.7	0	0	0	0	0	112
272	I	77.7	Confident	93	Very high	178 Å²	178	45.2 Å²	45.2	91%	0.913	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-40	-170.5	-59.6	173.3	0	0	0	112.4
273	S	79.8	Confident	92.9	Very high	104 Å²	104	45.6 Å²	45.6	73%	0.727	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114	-13.3	-169.5	61.3	0	0	0	0	114.9
274	N	86.7	Confident	92.9	Very high	102 Å²	102	45.6 Å²	45.6	55%	0.545	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	155.1	-174.9	-63.5	-10.7	0	0	0	110.5	L270	L270-N274 HydrophobicContact CB-CB 4.08Å; L270-N274 PolarHBondContact N-O 3.39Å; L270-N274 WeakPolarHBondContact O-CB 3.29Å
275	M	91.2	Very high	92.7	Very high	88 Å²	88	47.8 Å²	47.8	43%	0.433	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	156.9	173.8	61.2	-178.4	76.9	0	0	110.2	F248 K268 F305	F248-M275 HydrophobicContact CD2-CE 4.17Å; F248-M275 HydrophobicContact CE2-CB 4.24Å; F248-M275 HydrophobicContact CE2-CE 3.71Å; F248-M275 HydrophobicContact CE2-SD 4.41Å; F248-M275 HydrophobicContact CZ-CE 4.06Å; K268-M275 CarbonylContact O-C 3.57Å; K268-M275 VanDerWaalsContact O-CA 3.23Å; K268-M275 WeakPolarHBondContact O-CA 3.42Å; K268-M275 WeakPolarHBondContact O-CB 3.12Å; M275-F305 HydrophobicContact CG-CE1 4.47Å; M275-F305 HydrophobicContact CG-CZ 3.85Å; M275-F305 HydrophobicContact SD-CE1 4.23Å; M275-F305 HydrophobicContact SD-CZ 4.17Å
276	S	94.7	Very high	92.6	Very high	37 Å²	37	48.1 Å²	48.1	26%	0.259	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	152.3	170	49.5	0	0	0	0	109	K268	K268-S276 PolarHBondContact N-O 2.89Å; K268-S276 PolarHBondContact O-N 3.2Å
277	F	95.4	Very high	92.6	Very high	30 Å²	30	52.3 Å²	52.3	13%	0.132	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	132.7	169.8	-171.5	-95.6	0	0	0	109.3	D252 P279 A303 F305 L307	D252-F277 HydrophobicContact CB-CE2 4.43Å; F277-P279 HydrophobicContact CE1-CB 4.43Å; F277-A303 HydrophobicContact CD1-CB 4.06Å; F277-A303 WeakPolarHBondContact CD1-O 3.4Å; F277-A303 HydrophobicContact CE1-CB 4.07Å; F277-F305 HydrophobicContact CB-CD1 4.44Å; F277-F305 HydrophobicContact CB-CE1 4.09Å; F277-F305 HydrophobicContact CB-CE2 4.45Å; F277-F305 HydrophobicContact CB-CZ 4.11Å; F277-F305 AromaticContact CD2-CD1 3.99Å; F277-F305 HydrophobicContact CD2-CD1 3.99Å; F277-F305 HydrophobicContact CD2-CE1 4.14Å; F277-L307 HydrophobicContact CE1-CD2 4.33Å; F277-L307 HydrophobicContact CE2-CD2 4.44Å; F277-L307 HydrophobicContact CZ-CB 4.32Å; F277-L307 HydrophobicContact CZ-CD2 3.6Å
278	S	97.2	Very high	92.5	Very high	10 Å²	10	53.4 Å²	53.4	7%	0.07	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	122.4	171.9	167.8	0	0	0	0	108	W246 G265 G266 E280	W246-S278 PolarHBondContact NE1-OG 3.14Å; G265-S278 CarbonylContact C-O 3.53Å; G265-S278 WeakPolarHBondContact CA-O 3.26Å; G266-S278 PolarHBondContact N-O 3.49Å; G266-S278 VanDerWaalsContact N-O 3.11Å; G266-S278 WeakPolarHBondContact O-CB 3.44Å; G266-S278 PolarHBondContact O-N 3Å; S278-E280 PolarHBondContact O-N 3.48Å; S278-E280 WeakPolarHBondContact OG-CG 3.28Å
279	P	97.3	Very high	92.6	Very high	34 Å²	34	49.8 Å²	49.8	22%	0.221	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	5	-178.5	34.9	-37.4	0	0	0	113.7	F277 E297 V298 A303	F277-P279 HydrophobicContact CE1-CB 4.43Å; P279-E297 HydrophobicContact CB-CB 4.16Å; P279-E297 HydrophobicContact CG-CB 4.31Å; P279-E297 CarbonylContact O-C 3.59Å; P279-E297 WeakPolarHBondContact O-CA 3.46Å; P279-E297 WeakPolarHBondContact O-CB 3.45Å; P279-V298 HydrophobicContact CB-CB 3.98Å; P279-V298 WeakPolarHBondContact CB-O 3.27Å; P279-V298 PolarHBondContact O-N 3.02Å; P279-A303 HydrophobicContact CB-CB 3.85Å
280	E	97.7	Very high	92.9	Very high	35 Å²	35	50.8 Å²	50.8	16%	0.164	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	150.4	-172.4	-60.3	-173.4	167.5	0	0	112.1	P245 W246 G265 S278 W282 K293	P245-E280 WeakPolarHBondContact CD-OE2 3.34Å; P245-E280 WeakPolarHBondContact CG-OE2 3.39Å; W246-E280 HydrophobicContact CZ2-CB 4.32Å; W246-E280 VanDerWaalsContact CZ2-O 3.31Å; W246-E280 WeakPolarHBondContact CZ2-O 3.4Å; G265-E280 WeakPolarHBondContact CA-O 3.35Å; G265-E280 PolarHBondContact N-O 3.03Å; S278-E280 PolarHBondContact O-N 3.48Å; S278-E280 WeakPolarHBondContact OG-CG 3.28Å; E280-W282 PolarHBondContact OE2-NE1 2.76Å; E280-K293 IonicContact OE1-NZ 3.8Å; E280-K293 PolarHBondContact OE1-NZ 2.94Å; E280-K293 IonicContact OE2-NZ 3.72Å
281	I	97.8	Very high	93.3	Very high	0 Å²	0	47 Å²	47	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	133	171.4	-56.8	172.4	0	0	0	107.8	L263 V264 L294 V296 V298 L318 F320 M332	L263-I281 WeakPolarHBondContact O-CA 3.39Å; V264-I281 HydrophobicContact CG2-CG2 4.36Å; I281-L294 HydrophobicContact CG2-CD1 3.81Å; I281-L294 HydrophobicContact CG2-CG 4.46Å; I281-L294 WeakPolarHBondContact O-CB 3.38Å; I281-L294 PolarHBondContact O-N 3.5Å; I281-V296 HydrophobicContact CD1-CG1 4.18Å; I281-V298 HydrophobicContact CD1-CG2 4.4Å; I281-V298 HydrophobicContact CG1-CG2 4.36Å; I281-L318 HydrophobicContact CD1-CD2 4.2Å; I281-F320 HydrophobicContact CD1-CE1 4.18Å; I281-F320 HydrophobicContact CD1-CE2 4.49Å; I281-F320 HydrophobicContact CD1-CZ 3.59Å; I281-M332 HydrophobicContact CG2-CE 4.45Å
282	W	97.7	Very high	93.9	Very high	7 Å²	7	47.7 Å²	47.7	3%	0.027	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	149.9	-177.1	-72.2	75.8	0	0	0	110.6	E242 R243 P244 W246 L263 E280 T292 K293	E242-W282 HydrophobicContact CB-CH2 3.79Å; E242-W282 HydrophobicContact CB-CZ3 4.1Å; R243-W282 WeakPolarHBondContact O-CH2 3.41Å; P244-W282 HydrophobicContact CB-CD2 4.03Å; P244-W282 HydrophobicContact CB-CG 3.98Å; P244-W282 HydrophobicContact CG-CB 3.94Å; P244-W282 HydrophobicContact CG-CD2 3.65Å; P244-W282 HydrophobicContact CG-CE3 3.93Å; P244-W282 HydrophobicContact CG-CG 3.66Å; W246-W282 HydrophobicContact CH2-CB 4.28Å; W246-W282 AromaticContact CH2-CD1 3.72Å; W246-W282 HydrophobicContact CH2-CG 4.28Å; W246-W282 AromaticContact CZ2-CD1 3.85Å; L263-W282 HydrophobicContact CB-CB 4.33Å; L263-W282 PolarHBondContact N-O 3.38Å; L263-W282 PolarHBondContact O-N 2.85Å; E280-W282 PolarHBondContact OE2-NE1 2.76Å; W282-T292 CarbonylContact C-O 3.59Å; W282-T292 WeakPolarHBondContact CA-O 3.32Å; W282-T292 VanDerWaalsContact CE3-C 3.45Å; W282-K293 HydrophobicContact CD2-CB 3.88Å; W282-K293 HydrophobicContact CD2-CG 4.28Å; W282-K293 HydrophobicContact CE3-CB 3.96Å; W282-K293 VanDerWaalsContact CE3-N 3.27Å; W282-K293 HydrophobicContact CH2-CB 3.74Å; W282-K293 HydrophobicContact CZ2-CB 3.65Å; W282-K293 HydrophobicContact CZ2-CD 4Å; W282-K293 HydrophobicContact CZ2-CG 3.95Å; W282-K293 HydrophobicContact CZ3-CB 3.9Å
283	A	96.3	Very high	94.7	Very high	8 Å²	8	42.7 Å²	42.7	7%	0.066	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	139.3	169	0	0	0	0	0	109.8	T260 F261 Y291 T292 L294	T260-A283 HydrophobicContact CG2-CB 3.74Å; F261-A283 CarbonylContact O-C 3.43Å; F261-A283 VanDerWaalsContact O-CA 3.22Å; F261-A283 WeakPolarHBondContact O-CA 3.38Å; A283-Y291 CarbonylContact O-C 3.58Å; A283-Y291 VanDerWaalsContact O-CA 3.26Å; A283-Y291 WeakPolarHBondContact O-CA 3.09Å; A283-T292 PolarHBondContact N-O 3.14Å; A283-T292 PolarHBondContact O-N 3.37Å; A283-L294 HydrophobicContact CB-CD2 3.99Å; A283-L294 HydrophobicContact CB-CG 4.43Å
284	L	96.9	Very high	95.5	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	118.2	167	169.2	65	0	0	0	109.2	F198 I209 T260 F261 L263 N290 Y291	F198-L284 HydrophobicContact CE2-CD2 4.44Å; I209-L284 HydrophobicContact CD1-CD2 4.02Å; I209-L284 HydrophobicContact CG1-CD2 4.14Å; T260-L284 CarbonylContact C-O 3.51Å; T260-L284 WeakPolarHBondContact CA-O 3.47Å; F261-L284 HydrophobicContact CB-CB 4.12Å; F261-L284 HydrophobicContact CD2-CD2 4.32Å; F261-L284 PolarHBondContact N-O 3.48Å; F261-L284 PolarHBondContact O-N 3.45Å; L263-L284 HydrophobicContact CD1-CB 4.46Å; L284-N290 WeakPolarHBondContact CA-O 3.4Å; L284-Y291 HydrophobicContact CB-CD1 3.83Å; L284-Y291 HydrophobicContact CB-CE1 3.68Å; L284-Y291 HydrophobicContact CD1-CD1 4.14Å; L284-Y291 HydrophobicContact CD1-CD2 4.32Å; L284-Y291 HydrophobicContact CD1-CE1 3.99Å; L284-Y291 HydrophobicContact CD1-CE2 4.17Å; L284-Y291 HydrophobicContact CD1-CG 4.3Å; L284-Y291 HydrophobicContact CD2-CE1 4.01Å; L284-Y291 HydrophobicContact CG-CD1 4.47Å; L284-Y291 HydrophobicContact CG-CE1 4.1Å
285	D	95.8	Very high	95.8	Very high	45 Å²	45	37.7 Å²	37.7	24%	0.241	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	125.5	174.6	-172.6	-67.2	0	0	0	110.7	N259 V287 S288 Y289 N290	N259-D285 PolarHBondContact ND2-OD2 2.87Å; D285-V287 VanDerWaalsContact C-N 3.27Å; D285-V287 PolarHBondContact O-N 2.92Å; D285-V287 VanDerWaalsContact OD1-CA 3.3Å; D285-V287 WeakPolarHBondContact OD1-CA 3.2Å; D285-V287 VanDerWaalsContact OD1-CB 3.32Å; D285-V287 WeakPolarHBondContact OD1-CB 3.37Å; D285-V287 PolarHBondContact OD1-N 2.94Å; D285-S288 PolarHBondContact OD1-N 3.44Å; D285-Y289 WeakPolarHBondContact O-CA 3.44Å; D285-Y289 PolarHBondContact O-N 2.75Å; D285-N290 PolarHBondContact N-O 3.11Å; D285-N290 VanDerWaalsContact N-O 3.08Å
286	L	95.5	Very high	96	Very high	7 Å²	7	33.9 Å²	33.9	4%	0.037	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-7.3	-176.7	-64.2	-175.3	0	0	0	114.2	T207 Q256 N259 F261 Y289	T207-L286 HydrophobicContact CG2-CD2 3.97Å; Q256-L286 HydrophobicContact CG-CD1 4.26Å; N259-L286 WeakPolarHBondContact O-CB 3.29Å; N259-L286 VanDerWaalsContact O-CG 3.31Å; N259-L286 WeakPolarHBondContact O-CG 3.38Å; N259-L286 PolarHBondContact O-N 2.94Å; F261-L286 HydrophobicContact CD2-CD2 3.35Å; F261-L286 HydrophobicContact CD2-CG 4.32Å; F261-L286 HydrophobicContact CE2-CD2 3.57Å; F261-L286 HydrophobicContact CG-CD2 4.32Å; L286-Y289 WeakPolarHBondContact O-CE1 3.36Å
287	V	94.7	Very high	96.1	Very high	91 Å²	91	36 Å²	36	55%	0.552	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.3	-48.2	178	-177.7	0	0	0	0	110.1	Y202 N259 D285	Y202-V287 HydrophobicContact CD1-CG2 4.02Å; Y202-V287 HydrophobicContact CE1-CG2 3.88Å; N259-V287 HydrophobicContact CB-CG2 4.25Å; D285-V287 VanDerWaalsContact C-N 3.27Å; D285-V287 PolarHBondContact O-N 2.92Å; D285-V287 VanDerWaalsContact OD1-CA 3.3Å; D285-V287 WeakPolarHBondContact OD1-CA 3.2Å; D285-V287 VanDerWaalsContact OD1-CB 3.32Å; D285-V287 WeakPolarHBondContact OD1-CB 3.37Å; D285-V287 PolarHBondContact OD1-N 2.94Å
288	S	94.7	Very high	96.2	Very high	51 Å²	51	34.9 Å²	34.9	36%	0.357	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-12.9	-176.8	86.4	0	0	0	0	114	D285 N290	D285-S288 PolarHBondContact OD1-N 3.44Å; S288-N290 PolarHBondContact O-N 3.36Å; S288-N290 PolarHBondContact O-OD1 2.94Å; S288-N290 WeakPolarHBondContact OG-CB 3.12Å; S288-N290 PolarHBondContact OG-N 3.22Å; S288-N290 PolarHBondContact OG-ND2 3.05Å
289	Y	95.9	Very high	96.1	Very high	21 Å²	21	35.3 Å²	35.3	8%	0.082	20%	0.198	C	C	.	.			trans	56.9	31.8	-177.8	-49	-43	0	0	0	114.4	T207 V224 S226 Y237 T239 D285 L286	T207-Y289 HydrophobicContact CG2-CD1 4.16Å; T207-Y289 HydrophobicContact CG2-CE1 3.73Å; V224-Y289 HydrophobicContact CB-CD1 4.47Å; V224-Y289 HydrophobicContact CG1-CD1 4.28Å; V224-Y289 HydrophobicContact CG1-CG 4.36Å; V224-Y289 HydrophobicContact CG2-CD1 3.66Å; V224-Y289 HydrophobicContact CG2-CD2 3.69Å; V224-Y289 HydrophobicContact CG2-CE1 3.83Å; V224-Y289 HydrophobicContact CG2-CE2 3.86Å; V224-Y289 HydrophobicContact CG2-CG 3.58Å; S226-Y289 WeakPolarHBondContact CB-OH 3.42Å; S226-Y289 PolarHBondContact OG-OH 2.89Å; Y237-Y289 HydrophobicContact CD1-CE2 4.41Å; Y237-Y289 HydrophobicContact CD2-CD2 4.2Å; Y237-Y289 AromaticContact CD2-CE2 3.45Å; Y237-Y289 HydrophobicContact CD2-CE2 3.45Å; Y237-Y289 VanDerWaalsContact CD2-CE2 3.45Å; Y237-Y289 HydrophobicContact CE2-CE2 4.09Å; Y237-Y289 AromaticContact CG-CD2 3.95Å; Y237-Y289 HydrophobicContact CG-CD2 3.95Å; Y237-Y289 AromaticContact CG-CE2 3.63Å; Y237-Y289 HydrophobicContact CG-CE2 3.63Å; T239-Y289 WeakPolarHBondContact CA-O 3.32Å; D285-Y289 WeakPolarHBondContact O-CA 3.44Å; D285-Y289 PolarHBondContact O-N 2.75Å; L286-Y289 WeakPolarHBondContact O-CE1 3.36Å
290	N	95.7	Very high	96	Very high	60 Å²	60	38.5 Å²	38.5	32%	0.321	22%	0.221	S	C	.	.	B	Isolated β-bridge	trans	-99.9	135.5	178.5	-67.7	-23.3	0	0	0	110.1	N240 L284 D285 S288	N240-N290 WeakPolarHBondContact CB-OD1 3.29Å; N240-N290 PolarHBondContact ND2-OD1 3.45Å; L284-N290 WeakPolarHBondContact CA-O 3.4Å; D285-N290 PolarHBondContact N-O 3.11Å; D285-N290 VanDerWaalsContact N-O 3.08Å; S288-N290 PolarHBondContact O-N 3.36Å; S288-N290 PolarHBondContact O-OD1 2.94Å; S288-N290 WeakPolarHBondContact OG-CB 3.12Å; S288-N290 PolarHBondContact OG-N 3.22Å; S288-N290 PolarHBondContact OG-ND2 3.05Å
291	Y	97	Very high	95.9	Very high	12 Å²	12	40.6 Å²	40.6	5%	0.047	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	140.8	168	-73.4	-76	0	0	0	110.5	S221 T239 E242 R243 P244 L263 A283 L284	S221-Y291 VanDerWaalsContact O-CE2 3.24Å; S221-Y291 WeakPolarHBondContact O-CE2 3.44Å; T239-Y291 HydrophobicContact CG2-CD2 4.38Å; T239-Y291 HydrophobicContact CG2-CE2 3.73Å; E242-Y291 WeakPolarHBondContact O-CB 3.32Å; R243-Y291 HydrophobicContact CG-CD2 4.22Å; P244-Y291 HydrophobicContact CG-CD1 3.8Å; P244-Y291 HydrophobicContact CG-CE1 3.96Å; P244-Y291 HydrophobicContact CG-CG 4.38Å; L263-Y291 HydrophobicContact CD1-CD1 4.17Å; L263-Y291 HydrophobicContact CD1-CE1 3.59Å; A283-Y291 CarbonylContact O-C 3.58Å; A283-Y291 VanDerWaalsContact O-CA 3.26Å; A283-Y291 WeakPolarHBondContact O-CA 3.09Å; L284-Y291 HydrophobicContact CB-CD1 3.83Å; L284-Y291 HydrophobicContact CB-CE1 3.68Å; L284-Y291 HydrophobicContact CD1-CD1 4.14Å; L284-Y291 HydrophobicContact CD1-CD2 4.32Å; L284-Y291 HydrophobicContact CD1-CE1 3.99Å; L284-Y291 HydrophobicContact CD1-CE2 4.17Å; L284-Y291 HydrophobicContact CD1-CG 4.3Å; L284-Y291 HydrophobicContact CD2-CE1 4.01Å; L284-Y291 HydrophobicContact CG-CD1 4.47Å; L284-Y291 HydrophobicContact CG-CE1 4.1Å
292	T	95.5	Very high	95.7	Very high	82 Å²	82	40.6 Å²	40.6	50%	0.503	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	121.8	172.5	-57.5	0	0	0	0	108.9	W282 A283 L294	W282-T292 CarbonylContact C-O 3.59Å; W282-T292 WeakPolarHBondContact CA-O 3.32Å; W282-T292 VanDerWaalsContact CE3-C 3.45Å; A283-T292 PolarHBondContact N-O 3.14Å; A283-T292 PolarHBondContact O-N 3.37Å; T292-L294 PolarHBondContact O-N 3.35Å
293	K	96.2	Very high	95.7	Very high	73 Å²	73	41.4 Å²	41.4	32%	0.317	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	125.8	169.4	-172.3	175	175	176.2	0	108.3	E280 W282 E297	E280-K293 IonicContact OE1-NZ 3.8Å; E280-K293 PolarHBondContact OE1-NZ 2.94Å; E280-K293 IonicContact OE2-NZ 3.72Å; W282-K293 HydrophobicContact CD2-CB 3.88Å; W282-K293 HydrophobicContact CD2-CG 4.28Å; W282-K293 HydrophobicContact CE3-CB 3.96Å; W282-K293 VanDerWaalsContact CE3-N 3.27Å; W282-K293 HydrophobicContact CH2-CB 3.74Å; W282-K293 HydrophobicContact CZ2-CB 3.65Å; W282-K293 HydrophobicContact CZ2-CD 4Å; W282-K293 HydrophobicContact CZ2-CG 3.95Å; W282-K293 HydrophobicContact CZ3-CB 3.9Å; K293-E297 WeakPolarHBondContact CE-OE1 2.99Å; K293-E297 IonicContact NZ-OE1 2.7Å; K293-E297 PolarHBondContact NZ-OE1 2.91Å
294	L	95.1	Very high	95.6	Very high	7 Å²	7	43 Å²	43	4%	0.037	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	148.3	177.5	-56.9	-173.1	0	0	0	110	L262 I281 A283 T292 V296 M332 V336	L262-L294 HydrophobicContact CD2-CD1 4.25Å; I281-L294 HydrophobicContact CG2-CD1 3.81Å; I281-L294 HydrophobicContact CG2-CG 4.46Å; I281-L294 WeakPolarHBondContact O-CB 3.38Å; I281-L294 PolarHBondContact O-N 3.5Å; A283-L294 HydrophobicContact CB-CD2 3.99Å; A283-L294 HydrophobicContact CB-CG 4.43Å; T292-L294 PolarHBondContact O-N 3.35Å; L294-V296 HydrophobicContact CB-CG1 4.21Å; L294-V296 PolarHBondContact O-N 2.78Å; L294-M332 HydrophobicContact CD1-CE 3.27Å; L294-V336 HydrophobicContact CD1-CG2 4.45Å
295	P	94.4	Very high	95.4	Very high	93 Å²	93	47.5 Å²	47.5	60%	0.604	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.6	29.9	-179.6	36.1	-38.8	0	0	0	112.7	L335	P295-L335 HydrophobicContact CG-CD2 3.55Å
296	V	95.3	Very high	95.3	Very high	9 Å²	9	49 Å²	49	6%	0.055	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	148.6	177.6	66.1	0	0	0	0	108.4	V10 I281 L294 V330 L335	V10-V296 HydrophobicContact CG2-CG2 3.8Å; I281-V296 HydrophobicContact CD1-CG1 4.18Å; L294-V296 HydrophobicContact CB-CG1 4.21Å; L294-V296 PolarHBondContact O-N 2.78Å; V296-V330 HydrophobicContact CG1-CG1 4.4Å; V296-V330 HydrophobicContact CG2-CG1 4.13Å; V296-V330 HydrophobicContact CG2-CG2 4.15Å; V296-L335 HydrophobicContact CB-CD1 4.12Å; V296-L335 HydrophobicContact CG1-CD1 3.37Å
297	E	96.2	Very high	95.3	Very high	82 Å²	82	49.1 Å²	49.1	38%	0.383	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	160	-179.9	-60.3	-171.1	161.7	0	0	109.1	P279 K293	P279-E297 HydrophobicContact CB-CB 4.16Å; P279-E297 HydrophobicContact CG-CB 4.31Å; P279-E297 CarbonylContact O-C 3.59Å; P279-E297 WeakPolarHBondContact O-CA 3.46Å; P279-E297 WeakPolarHBondContact O-CB 3.45Å; K293-E297 WeakPolarHBondContact CE-OE1 2.99Å; K293-E297 IonicContact NZ-OE1 2.7Å; K293-E297 PolarHBondContact NZ-OE1 2.91Å
298	V	97.3	Very high	95.4	Very high	5 Å²	5	45.3 Å²	45.3	3%	0.03	25%	0.253	C	S	.	.			trans	-56.6	131.1	170.3	178.8	0	0	0	0	108.6	V264 P279 I281 S300 V302 A303 L307 F320	V264-V298 HydrophobicContact CG1-CG2 3.79Å; P279-V298 HydrophobicContact CB-CB 3.98Å; P279-V298 WeakPolarHBondContact CB-O 3.27Å; P279-V298 PolarHBondContact O-N 3.02Å; I281-V298 HydrophobicContact CD1-CG2 4.4Å; I281-V298 HydrophobicContact CG1-CG2 4.36Å; V298-S300 PolarHBondContact O-N 3.22Å; V298-V302 HydrophobicContact CG1-CG2 3.86Å; V298-A303 HydrophobicContact CB-CB 4.37Å; V298-A303 HydrophobicContact CG1-CB 4.07Å; V298-L307 HydrophobicContact CG1-CD1 3.84Å; V298-L307 HydrophobicContact CG1-CD2 3.95Å; V298-L307 HydrophobicContact CG2-CD2 3.95Å; V298-F320 HydrophobicContact CG1-CD1 4.4Å; V298-F320 HydrophobicContact CG1-CG 4.41Å; V298-F320 HydrophobicContact CG2-CD1 4.13Å; V298-F320 HydrophobicContact CG2-CE1 3.99Å; V298-F320 HydrophobicContact CG2-CZ 4.5Å
299	P	96.3	Very high	95.6	Very high	19 Å²	19	43.1 Å²	43.1	12%	0.123	24%	0.238	C	C	.	.			trans	-55.3	138.5	-179.6	-28	36.7	0	0	0	112.3	V10 D301 V302 A303 Y328	V10-P299 HydrophobicContact CB-CG 4.24Å; V10-P299 HydrophobicContact CG1-CG 3.35Å; V10-P299 HydrophobicContact CG2-CG 4.45Å; P299-D301 PolarHBondContact O-N 2.85Å; P299-V302 HydrophobicContact CB-CG2 4.17Å; P299-V302 HydrophobicContact CG-CG2 4.44Å; P299-V302 WeakPolarHBondContact O-CG2 3.29Å; P299-V302 PolarHBondContact O-N 2.97Å; P299-A303 VanDerWaalsContact O-CB 3.3Å; P299-A303 WeakPolarHBondContact O-CB 3.46Å; P299-A303 PolarHBondContact O-N 2.94Å; P299-Y328 HydrophobicContact CB-CD1 4.02Å; P299-Y328 HydrophobicContact CB-CD2 4.44Å; P299-Y328 HydrophobicContact CB-CE1 4.04Å; P299-Y328 HydrophobicContact CB-CG 4.21Å; P299-Y328 HydrophobicContact CG-CD1 3.72Å; P299-Y328 HydrophobicContact CG-CD2 4.31Å; P299-Y328 HydrophobicContact CG-CE1 4.26Å; P299-Y328 HydrophobicContact CG-CG 3.74Å
300	S	95.2	Very high	95.7	Very high	101 Å²	101	42.6 Å²	42.6	71%	0.706	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.9	-35.4	-174.6	50.7	0	0	0	0	113.7	V298 V302 A303	V298-S300 PolarHBondContact O-N 3.22Å; S300-V302 VanDerWaalsContact C-N 3.29Å; S300-V302 PolarHBondContact O-N 2.85Å; S300-A303 PolarHBondContact O-N 3.43Å
301	D	93.8	Very high	95.8	Very high	80 Å²	80	40.7 Å²	40.7	43%	0.428	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-28.5	-174.1	-57.1	-6.8	0	0	0	111.9	P299 H325 Y328	P299-D301 PolarHBondContact O-N 2.85Å; D301-H325 HydrophobicContact CB-CB 3.88Å; D301-H325 WeakPolarHBondContact O-CB 3.28Å; D301-H325 VanDerWaalsContact O-CG 3.27Å; D301-H325 PolarHBondContact O-ND1 3.31Å; D301-H325 VanDerWaalsContact O-ND1 3.13Å; D301-Y328 PolarHBondContact OD2-OH 3.09Å
302	V	95.1	Very high	95.7	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	0.8	177.7	-60.4	0	0	0	0	112.9	V298 P299 S300 N304 L307 F320 D322 H325 Y328	V298-V302 HydrophobicContact CG1-CG2 3.86Å; P299-V302 HydrophobicContact CB-CG2 4.17Å; P299-V302 HydrophobicContact CG-CG2 4.44Å; P299-V302 WeakPolarHBondContact O-CG2 3.29Å; P299-V302 PolarHBondContact O-N 2.97Å; S300-V302 VanDerWaalsContact C-N 3.29Å; S300-V302 PolarHBondContact O-N 2.85Å; V302-N304 VanDerWaalsContact C-N 3.25Å; V302-N304 PolarHBondContact O-N 2.83Å; V302-L307 HydrophobicContact CB-CD1 4.44Å; V302-L307 HydrophobicContact CG2-CD1 4.27Å; V302-F320 HydrophobicContact CG2-CB 3.95Å; V302-D322 HydrophobicContact CB-CB 4.44Å; V302-D322 HydrophobicContact CG1-CB 4.46Å; V302-H325 HydrophobicContact CG1-CB 3.93Å; V302-Y328 HydrophobicContact CG1-CD2 3.91Å; V302-Y328 HydrophobicContact CG1-CE2 3.6Å; V302-Y328 HydrophobicContact CG2-CD2 4Å; V302-Y328 HydrophobicContact CG2-CE2 4.24Å
303	A	96.1	Very high	95.5	Very high	24 Å²	24	38.1 Å²	38.1	20%	0.198	21%	0.214	C	C	.	.			trans	-77.5	69.5	-178.6	0	0	0	0	0	112.1	F277 P279 V298 P299 S300	F277-A303 HydrophobicContact CD1-CB 4.06Å; F277-A303 WeakPolarHBondContact CD1-O 3.4Å; F277-A303 HydrophobicContact CE1-CB 4.07Å; P279-A303 HydrophobicContact CB-CB 3.85Å; V298-A303 HydrophobicContact CB-CB 4.37Å; V298-A303 HydrophobicContact CG1-CB 4.07Å; P299-A303 VanDerWaalsContact O-CB 3.3Å; P299-A303 WeakPolarHBondContact O-CB 3.46Å; P299-A303 PolarHBondContact O-N 2.94Å; S300-A303 PolarHBondContact O-N 3.43Å
304	N	94.8	Very high	95.4	Very high	41 Å²	41	39.2 Å²	39.2	22%	0.219	23%	0.229	C	C	.	.	S	Bend	trans	-143.3	178.2	-177.6	65.1	62.2	0	0	0	111.6	V302 Q306 L307 D322	V302-N304 VanDerWaalsContact C-N 3.25Å; V302-N304 PolarHBondContact O-N 2.83Å; N304-Q306 PolarHBondContact O-N 3.16Å; N304-Q306 VanDerWaalsContact O-N 3.16Å; N304-Q306 WeakPolarHBondContact OD1-CA 3.33Å; N304-Q306 VanDerWaalsContact OD1-CB 3.26Å; N304-Q306 WeakPolarHBondContact OD1-CB 3.36Å; N304-Q306 PolarHBondContact OD1-N 2.92Å; N304-L307 VanDerWaalsContact O-CB 3.24Å; N304-L307 WeakPolarHBondContact O-CB 3.32Å; N304-L307 PolarHBondContact O-N 2.8Å; N304-L307 PolarHBondContact OD1-N 3.02Å; N304-D322 PolarHBondContact ND2-OD2 3.29Å
305	F	93.5	Very high	95.2	Very high	94 Å²	94	41.2 Å²	41.2	41%	0.412	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-1.9	-177.1	-64.1	-66	0	0	0	114.8	F26 S267 M275 F277	F26-F305 WeakPolarHBondContact CE1-O 3.16Å; S267-F305 WeakPolarHBondContact OG-CE1 3.36Å; M275-F305 HydrophobicContact CG-CE1 4.47Å; M275-F305 HydrophobicContact CG-CZ 3.85Å; M275-F305 HydrophobicContact SD-CE1 4.23Å; M275-F305 HydrophobicContact SD-CZ 4.17Å; F277-F305 HydrophobicContact CB-CD1 4.44Å; F277-F305 HydrophobicContact CB-CE1 4.09Å; F277-F305 HydrophobicContact CB-CE2 4.45Å; F277-F305 HydrophobicContact CB-CZ 4.11Å; F277-F305 AromaticContact CD2-CD1 3.99Å; F277-F305 HydrophobicContact CD2-CD1 3.99Å; F277-F305 HydrophobicContact CD2-CE1 4.14Å
306	Q	93.5	Very high	95.2	Very high	76 Å²	76	36.8 Å²	36.8	36%	0.355	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	5.5	172.1	-58.2	175.2	-28.6	0	0	111.8	P25 F26 N304 C308 D322	P25-Q306 WeakPolarHBondContact O-CB 3.31Å; P25-Q306 WeakPolarHBondContact O-CG 3.15Å; F26-Q306 HydrophobicContact CE1-CG 4.38Å; N304-Q306 PolarHBondContact O-N 3.16Å; N304-Q306 VanDerWaalsContact O-N 3.16Å; N304-Q306 WeakPolarHBondContact OD1-CA 3.33Å; N304-Q306 VanDerWaalsContact OD1-CB 3.26Å; N304-Q306 WeakPolarHBondContact OD1-CB 3.36Å; N304-Q306 PolarHBondContact OD1-N 2.92Å; Q306-C308 PolarHBondContact O-N 2.82Å; Q306-D322 HydrophobicContact CB-CB 4.46Å
307	L	96	Very high	95.3	Very high	10 Å²	10	37.7 Å²	37.7	5%	0.052	22%	0.218	C	C	.	.			trans	-49.9	133	173.6	176.6	66.9	0	0	0	109.8	V264 F277 V298 V302 N304 F320	V264-L307 HydrophobicContact CG1-CD2 4.3Å; F277-L307 HydrophobicContact CE1-CD2 4.33Å; F277-L307 HydrophobicContact CE2-CD2 4.44Å; F277-L307 HydrophobicContact CZ-CB 4.32Å; F277-L307 HydrophobicContact CZ-CD2 3.6Å; V298-L307 HydrophobicContact CG1-CD1 3.84Å; V298-L307 HydrophobicContact CG1-CD2 3.95Å; V298-L307 HydrophobicContact CG2-CD2 3.95Å; V302-L307 HydrophobicContact CB-CD1 4.44Å; V302-L307 HydrophobicContact CG2-CD1 4.27Å; N304-L307 VanDerWaalsContact O-CB 3.24Å; N304-L307 WeakPolarHBondContact O-CB 3.32Å; N304-L307 PolarHBondContact O-N 2.8Å; N304-L307 PolarHBondContact OD1-N 3.02Å; L307-F320 HydrophobicContact CD1-CB 3.95Å; L307-F320 HydrophobicContact CD1-CD1 4.36Å
308	C	96.2	Very high	95.3	Very high	11 Å²	11	33.8 Å²	33.8	7%	0.074	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	128.9	167.9	-143	0	0	0	0	107.8	H27 C29 L38 Q306 T321	H27-C308 PolarHBondContact O-SG 3.15Å; C29-C308 HydrophobicContact CB-CB 3.97Å; C29-C308 WeakPolarHBondContact CB-SG 3.16Å; L38-C308 HydrophobicContact CD2-CB 4.5Å; Q306-C308 PolarHBondContact O-N 2.82Å; C308-T321 HydrophobicContact CB-CG2 4.24Å; C308-T321 PolarHBondContact N-O 2.87Å; C308-T321 PolarHBondContact O-N 3.32Å
309	S	98	Very high	95.4	Very high	6 Å²	6	33.8 Å²	33.8	4%	0.042	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	153.9	-179.3	74.3	0	0	0	0	111.4	S253 F255 Y319	S253-S309 WeakPolarHBondContact CB-OG 3.38Å; S253-S309 PolarHBondContact OG-OG 3.03Å; F255-S309 WeakPolarHBondContact CE2-OG 3.41Å; F255-S309 WeakPolarHBondContact CZ-OG 3.35Å; S309-Y319 WeakPolarHBondContact CA-O 3.2Å; S309-Y319 VanDerWaalsContact CB-O 3.27Å; S309-Y319 WeakPolarHBondContact CB-O 3.34Å
310	T	98	Very high	95.4	Very high	9 Å²	9	32.9 Å²	32.9	6%	0.055	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	160.5	174.4	-162.6	0	0	0	0	110.2	C29 V30 Y31 V36 L318 Y319	C29-T310 PolarHBondContact O-OG1 2.82Å; C29-T310 VanDerWaalsContact SG-CB 3.52Å; C29-T310 WeakPolarHBondContact SG-CG2 3.21Å; V30-T310 VanDerWaalsContact CA-OG1 3.32Å; V30-T310 WeakPolarHBondContact CA-OG1 3.4Å; Y31-T310 PolarHBondContact N-OG1 2.61Å; V36-T310 HydrophobicContact CG1-CG2 4.2Å; V36-T310 HydrophobicContact CG2-CG2 4.08Å; T310-L318 WeakPolarHBondContact O-CD1 2.9Å; T310-Y319 HydrophobicContact CG2-CD2 4.16Å; T310-Y319 HydrophobicContact CG2-CG 4.44Å; T310-Y319 PolarHBondContact N-O 3.22Å; T310-Y319 PolarHBondContact O-N 2.67Å
311	F	97.4	Very high	95.5	Very high	20 Å²	20	28.1 Å²	28.1	9%	0.088	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	129.8	-170.2	-178.6	-115.8	0	0	0	111.3	F255 W257 L262 A313 Q317 L318 M332	F255-F311 HydrophobicContact CB-CB 3.92Å; F255-F311 HydrophobicContact CB-CD1 3.84Å; F255-F311 HydrophobicContact CB-CG 4.08Å; F255-F311 HydrophobicContact CD1-CB 3.61Å; F255-F311 HydrophobicContact CD2-CB 3.83Å; F255-F311 HydrophobicContact CE1-CB 4.06Å; F255-F311 HydrophobicContact CE2-CB 4.26Å; F255-F311 HydrophobicContact CG-CB 3.48Å; F255-F311 VanDerWaalsContact CG-CB 3.48Å; F255-F311 HydrophobicContact CG-CD1 4.37Å; F255-F311 HydrophobicContact CG-CG 4.16Å; F255-F311 HydrophobicContact CZ-CB 4.37Å; W257-F311 HydrophobicContact CB-CE1 3.68Å; W257-F311 HydrophobicContact CB-CZ 4Å; W257-F311 AromaticContact CD1-CE1 3.96Å; W257-F311 HydrophobicContact CD2-CE1 4.23Å; W257-F311 AromaticContact CD2-CZ 3.71Å; W257-F311 HydrophobicContact CD2-CZ 3.71Å; W257-F311 HydrophobicContact CE3-CZ 4.03Å; W257-F311 AromaticContact CG-CE1 3.71Å; W257-F311 HydrophobicContact CG-CE1 3.71Å; W257-F311 AromaticContact CG-CZ 3.71Å; W257-F311 HydrophobicContact CG-CZ 3.71Å; L262-F311 HydrophobicContact CD1-CD2 4.02Å; L262-F311 HydrophobicContact CD1-CE1 4.12Å; L262-F311 HydrophobicContact CD1-CE2 3.61Å; L262-F311 HydrophobicContact CD1-CG 4.46Å; L262-F311 HydrophobicContact CD1-CZ 3.66Å; F311-A313 HydrophobicContact CD1-CB 4.05Å; F311-A313 HydrophobicContact CE1-CB 3.77Å; F311-Q317 WeakPolarHBondContact CA-O 3.11Å; F311-Q317 VanDerWaalsContact CD2-O 3.22Å; F311-Q317 WeakPolarHBondContact CD2-O 2.9Å; F311-L318 HydrophobicContact CB-CD1 4.04Å; F311-L318 HydrophobicContact CD2-CB 3.96Å; F311-L318 HydrophobicContact CD2-CD1 4.08Å; F311-L318 HydrophobicContact CG-CD1 4.47Å; F311-M332 HydrophobicContact CE2-CB 4.38Å; F311-M332 HydrophobicContact CE2-CG 3.99Å
312	D	95.9	Very high	95.3	Very high	12 Å²	12	24.7 Å²	24.7	6%	0.064	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	102.3	165.6	-179.2	-4.3	0	0	0	109.2	Y31 C314 S315 G316 Q317 Y319	Y31-D312 HydrophobicContact CD1-CB 3.5Å; Y31-D312 VanDerWaalsContact CD1-CB 3.5Å; Y31-D312 HydrophobicContact CD2-CB 4.25Å; Y31-D312 HydrophobicContact CE1-CB 3.42Å; Y31-D312 VanDerWaalsContact CE1-CB 3.42Å; Y31-D312 VanDerWaalsContact CE1-OD2 3.25Å; Y31-D312 WeakPolarHBondContact CE1-OD2 3.14Å; Y31-D312 HydrophobicContact CE2-CB 4.17Å; Y31-D312 HydrophobicContact CG-CB 3.91Å; Y31-D312 PolarHBondContact OH-OD2 3.04Å; D312-C314 PolarHBondContact O-N 2.94Å; D312-C314 WeakPolarHBondContact OD1-CA 3.28Å; D312-C314 WeakPolarHBondContact OD1-CB 2.96Å; D312-C314 PolarHBondContact OD1-N 2.92Å; D312-S315 WeakPolarHBondContact CB-OG 3.1Å; D312-S315 PolarHBondContact OD1-N 2.64Å; D312-S315 VanDerWaalsContact OD2-CB 3.24Å; D312-S315 WeakPolarHBondContact OD2-CB 3.49Å; D312-S315 PolarHBondContact OD2-OG 2.01Å; D312-G316 VanDerWaalsContact O-CA 3.3Å; D312-G316 WeakPolarHBondContact O-CA 3.2Å; D312-G316 PolarHBondContact O-N 3.5Å; D312-Q317 HydrophobicContact CB-CB 4.39Å; D312-Q317 PolarHBondContact N-O 2.93Å; D312-Q317 PolarHBondContact O-N 3Å; D312-Y319 HydrophobicContact CB-CE2 4.39Å
313	A	92.3	Very high	94.9	Very high	29 Å²	29	24.9 Å²	24.9	24%	0.24	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-19.9	178.9	0	0	0	0	0	114	W257 F311	W257-A313 PolarHBondContact NE1-O 3.18Å; F311-A313 HydrophobicContact CD1-CB 4.05Å; F311-A313 HydrophobicContact CE1-CB 3.77Å
314	C	92.3	Very high	94.5	Very high	96 Å²	96	26.9 Å²	26.9	65%	0.649	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-43.2	178.9	-68.1	0	0	0	0	111.4	D312	D312-C314 PolarHBondContact O-N 2.94Å; D312-C314 WeakPolarHBondContact OD1-CA 3.28Å; D312-C314 WeakPolarHBondContact OD1-CB 2.96Å; D312-C314 PolarHBondContact OD1-N 2.92Å
315	S	92.7	Very high	94.2	Very high	48 Å²	48	29.1 Å²	29.1	34%	0.336	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-8.2	179.3	70.3	0	0	0	0	114.5	D312 Q317	D312-S315 WeakPolarHBondContact CB-OG 3.1Å; D312-S315 PolarHBondContact OD1-N 2.64Å; D312-S315 VanDerWaalsContact OD2-CB 3.24Å; D312-S315 WeakPolarHBondContact OD2-CB 3.49Å; D312-S315 PolarHBondContact OD2-OG 2.01Å; S315-Q317 VanDerWaalsContact C-N 3.29Å; S315-Q317 PolarHBondContact O-N 2.9Å; S315-Q317 WeakPolarHBondContact OG-CG 3.2Å
316	G	94	Very high	94.1	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.4	24.9	-176.5	0	0	0	0	0	113.2	D312 M332	D312-G316 VanDerWaalsContact O-CA 3.3Å; D312-G316 WeakPolarHBondContact O-CA 3.2Å; D312-G316 PolarHBondContact O-N 3.5Å; G316-M332 VanDerWaalsContact O-CB 3.29Å; G316-M332 WeakPolarHBondContact O-CB 3.25Å; G316-M332 WeakPolarHBondContact O-CG 3.27Å; G316-M332 PolarHBondContact O-N 2.5Å
317	Q	95.9	Very high	94.3	Very high	28 Å²	28	21 Å²	21	13%	0.131	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	125.7	-178.3	-60	-63.8	-37.9	0	0	110.8	F311 D312 S315 Y319 R329 V330 N331	F311-Q317 WeakPolarHBondContact CA-O 3.11Å; F311-Q317 VanDerWaalsContact CD2-O 3.22Å; F311-Q317 WeakPolarHBondContact CD2-O 2.9Å; D312-Q317 HydrophobicContact CB-CB 4.39Å; D312-Q317 PolarHBondContact N-O 2.93Å; D312-Q317 PolarHBondContact O-N 3Å; S315-Q317 VanDerWaalsContact C-N 3.29Å; S315-Q317 PolarHBondContact O-N 2.9Å; S315-Q317 WeakPolarHBondContact OG-CG 3.2Å; Q317-Y319 HydrophobicContact CB-CE2 3.66Å; Q317-R329 HydrophobicContact CB-CG 4.29Å; Q317-R329 VanDerWaalsContact OE1-CG 3.27Å; Q317-V330 PolarHBondContact OE1-O 3.03Å; Q317-N331 VanDerWaalsContact NE2-CG 3.27Å; Q317-N331 PolarHBondContact NE2-OD1 3.09Å
318	L	97.8	Very high	94.3	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	132.4	176.4	-177.1	61.9	0	0	0	109.7	F255 V264 I281 T310 F311 F320 R329 V330 M332	F255-L318 HydrophobicContact CD2-CD1 3.93Å; F255-L318 HydrophobicContact CE2-CD1 3.71Å; V264-L318 HydrophobicContact CG2-CD1 4.19Å; V264-L318 HydrophobicContact CG2-CD2 3.78Å; I281-L318 HydrophobicContact CD1-CD2 4.2Å; T310-L318 WeakPolarHBondContact O-CD1 2.9Å; F311-L318 HydrophobicContact CB-CD1 4.04Å; F311-L318 HydrophobicContact CD2-CB 3.96Å; F311-L318 HydrophobicContact CD2-CD1 4.08Å; F311-L318 HydrophobicContact CG-CD1 4.47Å; L318-F320 HydrophobicContact CB-CZ 4.36Å; L318-F320 HydrophobicContact CD1-CE1 4.27Å; L318-F320 HydrophobicContact CD2-CE1 3.63Å; L318-F320 HydrophobicContact CD2-CE2 4.44Å; L318-F320 HydrophobicContact CD2-CZ 3.35Å; L318-F320 HydrophobicContact CG-CE1 3.61Å; L318-F320 HydrophobicContact CG-CE2 4.3Å; L318-F320 HydrophobicContact CG-CZ 3.47Å; L318-F320 VanDerWaalsContact CG-CZ 3.47Å; L318-R329 CarbonylContact O-C 3.58Å; L318-R329 VanDerWaalsContact O-CA 3.31Å; L318-R329 WeakPolarHBondContact O-CA 3.13Å; L318-V330 PolarHBondContact N-O 3.02Å; L318-V330 PolarHBondContact O-N 3.24Å; L318-M332 HydrophobicContact CB-CG 3.82Å; L318-M332 HydrophobicContact CB-SD 4Å; L318-M332 HydrophobicContact CD2-CG 4.47Å; L318-M332 HydrophobicContact CD2-SD 3.94Å
319	Y	98.1	Very high	94.3	Very high	5 Å²	5	24.1 Å²	24.1	2%	0.02	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	145.2	-174.8	-59.8	-90.1	0	0	0	111.6	L13 Y31 V36 L67 S309 T310 D312 Q317 Y328 R329	L13-Y319 HydrophobicContact CD1-CD1 4.23Å; L13-Y319 HydrophobicContact CD1-CE1 3.99Å; Y31-Y319 HydrophobicContact CD2-CD2 4.31Å; Y31-Y319 AromaticContact CD2-CE2 3.65Å; Y31-Y319 HydrophobicContact CD2-CE2 3.65Å; Y31-Y319 HydrophobicContact CE2-CE2 4.05Å; Y31-Y319 HydrophobicContact CG-CE2 4.36Å; V36-Y319 HydrophobicContact CG2-CD1 4.13Å; V36-Y319 HydrophobicContact CG2-CD2 4.29Å; V36-Y319 HydrophobicContact CG2-CG 4.01Å; L67-Y319 HydrophobicContact CD1-CE1 3.62Å; L67-Y319 HydrophobicContact CD1-CE2 4.5Å; L67-Y319 WeakPolarHBondContact CD1-OH 3.34Å; L67-Y319 HydrophobicContact CD2-CD1 4.43Å; L67-Y319 HydrophobicContact CD2-CE1 4.03Å; L67-Y319 HydrophobicContact CG-CE1 4.49Å; S309-Y319 WeakPolarHBondContact CA-O 3.2Å; S309-Y319 VanDerWaalsContact CB-O 3.27Å; S309-Y319 WeakPolarHBondContact CB-O 3.34Å; T310-Y319 HydrophobicContact CG2-CD2 4.16Å; T310-Y319 HydrophobicContact CG2-CG 4.44Å; T310-Y319 PolarHBondContact N-O 3.22Å; T310-Y319 PolarHBondContact O-N 2.67Å; D312-Y319 HydrophobicContact CB-CE2 4.39Å; Q317-Y319 HydrophobicContact CB-CE2 3.66Å; Y319-Y328 CarbonylContact C-O 3.48Å; Y319-Y328 VanDerWaalsContact CA-O 3.25Å; Y319-Y328 WeakPolarHBondContact CA-O 3.31Å; Y319-R329 HydrophobicContact CD1-CB 3.91Å; Y319-R329 HydrophobicContact CD1-CG 4.04Å; Y319-R329 HydrophobicContact CE1-CB 3.91Å; Y319-R329 VanDerWaalsContact CE1-CD 3.49Å; Y319-R329 HydrophobicContact CE1-CG 3.68Å
320	F	97.7	Very high	94.2	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	138.5	-179.6	-45.6	-71.6	0	0	0	111.7	V264 I281 V298 V302 L307 L318 L327 Y328 V330	V264-F320 HydrophobicContact CG1-CD1 4.19Å; V264-F320 HydrophobicContact CG1-CE1 3.62Å; I281-F320 HydrophobicContact CD1-CE1 4.18Å; I281-F320 HydrophobicContact CD1-CE2 4.49Å; I281-F320 HydrophobicContact CD1-CZ 3.59Å; V298-F320 HydrophobicContact CG1-CD1 4.4Å; V298-F320 HydrophobicContact CG1-CG 4.41Å; V298-F320 HydrophobicContact CG2-CD1 4.13Å; V298-F320 HydrophobicContact CG2-CE1 3.99Å; V298-F320 HydrophobicContact CG2-CZ 4.5Å; V302-F320 HydrophobicContact CG2-CB 3.95Å; L307-F320 HydrophobicContact CD1-CB 3.95Å; L307-F320 HydrophobicContact CD1-CD1 4.36Å; L318-F320 HydrophobicContact CB-CZ 4.36Å; L318-F320 HydrophobicContact CD1-CE1 4.27Å; L318-F320 HydrophobicContact CD2-CE1 3.63Å; L318-F320 HydrophobicContact CD2-CE2 4.44Å; L318-F320 HydrophobicContact CD2-CZ 3.35Å; L318-F320 HydrophobicContact CG-CE1 3.61Å; L318-F320 HydrophobicContact CG-CE2 4.3Å; L318-F320 HydrophobicContact CG-CZ 3.47Å; L318-F320 VanDerWaalsContact CG-CZ 3.47Å; F320-L327 WeakPolarHBondContact O-CA 3.47Å; F320-Y328 PolarHBondContact N-O 2.92Å; F320-Y328 PolarHBondContact O-N 3.39Å; F320-V330 HydrophobicContact CE2-CB 4.27Å; F320-V330 HydrophobicContact CE2-CG2 3.75Å
321	T	96	Very high	94.1	Very high	1 Å²	1	26 Å²	26	1%	0.006	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	158.8	173.5	-171.1	0	0	0	0	111.4	L38 C308 L323 G326 L327	L38-T321 HydrophobicContact CD1-CG2 3.86Å; L38-T321 HydrophobicContact CD2-CG2 3.84Å; C308-T321 HydrophobicContact CB-CG2 4.24Å; C308-T321 PolarHBondContact N-O 2.87Å; C308-T321 PolarHBondContact O-N 3.32Å; T321-L323 PolarHBondContact OG1-N 3.15Å; T321-L323 VanDerWaalsContact OG1-N 3.07Å; T321-G326 WeakPolarHBondContact CA-O 3.34Å; T321-G326 VanDerWaalsContact CB-O 3.24Å; T321-G326 WeakPolarHBondContact CB-O 3.45Å; T321-G326 PolarHBondContact OG1-O 3.3Å; T321-L327 HydrophobicContact CG2-CD1 4.44Å
322	D	90.8	Very high	93.9	Very high	8 Å²	8	25 Å²	25	4%	0.043	14%	0.14	C	C	.	.			trans	-127.9	24	163.4	70.7	-5.7	0	0	0	111.3	V302 N304 Q306 T324 H325	V302-D322 HydrophobicContact CB-CB 4.44Å; V302-D322 HydrophobicContact CG1-CB 4.46Å; N304-D322 PolarHBondContact ND2-OD2 3.29Å; Q306-D322 HydrophobicContact CB-CB 4.46Å; D322-T324 PolarHBondContact O-N 3.41Å; D322-T324 PolarHBondContact OD1-N 3.13Å; D322-T324 VanDerWaalsContact OD1-N 3.07Å; D322-T324 PolarHBondContact OD1-OG1 2.91Å; D322-H325 IonicContact OD1-CG 3.98Å; D322-H325 PolarHBondContact OD1-N 2.86Å; D322-H325 IonicContact OD1-ND1 3.56Å; D322-H325 PolarHBondContact OD1-ND1 2.89Å; D322-H325 IonicContact OD2-CE1 2.83Å; D322-H325 IonicContact OD2-CG 3.61Å; D322-H325 IonicContact OD2-ND1 2.66Å; D322-H325 PolarHBondContact OD2-ND1 3.04Å
323	L	86.2	Confident	93.7	Very high	4 Å²	4	27.9 Å²	27.9	2%	0.021	16%	0.158	C	C	.	.	S	Bend	trans	64.4	-41.9	-166.7	-61.6	-178.1	0	0	0	117.3	V17 N18 A23 H27 L38 T321	V17-L323 HydrophobicContact CB-CD2 4.1Å; V17-L323 HydrophobicContact CG1-CD2 4.01Å; V17-L323 PolarHBondContact N-O 3.44Å; N18-L323 HydrophobicContact CB-CB 4.39Å; N18-L323 HydrophobicContact CB-CD1 4.06Å; N18-L323 HydrophobicContact CB-CD2 3.96Å; N18-L323 HydrophobicContact CB-CG 4.41Å; N18-L323 PolarHBondContact N-O 2.91Å; A23-L323 HydrophobicContact CB-CD1 4.02Å; H27-L323 WeakPolarHBondContact CE1-CD1 3.06Å; H27-L323 VanDerWaalsContact NE2-CD1 3.25Å; H27-L323 WeakPolarHBondContact NE2-CD1 3.31Å; L38-L323 HydrophobicContact CD1-CD2 3.28Å; L38-L323 HydrophobicContact CG-CD2 4.49Å; T321-L323 PolarHBondContact OG1-N 3.15Å; T321-L323 VanDerWaalsContact OG1-N 3.07Å
324	T	86.8	Confident	93	Very high	66 Å²	66	32.2 Å²	32.2	41%	0.405	17%	0.173	S	C	.	.	S	Bend	trans	-90.6	-29.2	-164	55.7	0	0	0	0	113.2	D322	D322-T324 PolarHBondContact O-N 3.41Å; D322-T324 PolarHBondContact OD1-N 3.13Å; D322-T324 VanDerWaalsContact OD1-N 3.07Å; D322-T324 PolarHBondContact OD1-OG1 2.91Å
325	H	90.2	Very high	92.5	Very high	88 Å²	88	28.9 Å²	28.9	41%	0.407	15%	0.149	S	C	.	.	S	Bend	trans	-107.9	9.8	-179.4	-53.8	100.9	0	0	0	113.8	K12 D15 D301 V302 D322 Y328	K12-H325 WeakPolarHBondContact CE-O 3.31Å; D15-H325 CarbonylContact O-C 3.28Å; D15-H325 VanDerWaalsContact O-C 3.28Å; D301-H325 HydrophobicContact CB-CB 3.88Å; D301-H325 WeakPolarHBondContact O-CB 3.28Å; D301-H325 VanDerWaalsContact O-CG 3.27Å; D301-H325 PolarHBondContact O-ND1 3.31Å; D301-H325 VanDerWaalsContact O-ND1 3.13Å; V302-H325 HydrophobicContact CG1-CB 3.93Å; D322-H325 IonicContact OD1-CG 3.98Å; D322-H325 PolarHBondContact OD1-N 2.86Å; D322-H325 IonicContact OD1-ND1 3.56Å; D322-H325 PolarHBondContact OD1-ND1 2.89Å; D322-H325 IonicContact OD2-CE1 2.83Å; D322-H325 IonicContact OD2-CG 3.61Å; D322-H325 IonicContact OD2-ND1 2.66Å; D322-H325 PolarHBondContact OD2-ND1 3.04Å; H325-Y328 WeakPolarHBondContact O-CE2 3.23Å; H325-Y328 PolarHBondContact O-OH 3.13Å
326	G	91.2	Very high	91.9	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.161	C	C	.	.			trans	108.5	-170.1	168.2	0	0	0	0	0	115.1	L14 D15 T321	L14-G326 CarbonylContact O-C 3.58Å; L14-G326 WeakPolarHBondContact O-CA 3.33Å; D15-G326 VanDerWaalsContact C-CA 3.44Å; D15-G326 VanDerWaalsContact O-CA 3.26Å; D15-G326 WeakPolarHBondContact O-CA 3.5Å; D15-G326 PolarHBondContact O-N 2.93Å; D15-G326 VanDerWaalsContact O-N 3.15Å; T321-G326 WeakPolarHBondContact CA-O 3.34Å; T321-G326 VanDerWaalsContact CB-O 3.24Å; T321-G326 WeakPolarHBondContact CB-O 3.45Å; T321-G326 PolarHBondContact OG1-O 3.3Å
327	L	96.1	Very high	91.8	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	128.7	175.2	179.8	66.6	0	0	0	108.8	L13 L14 V17 V36 V65 L67 F320 T321	L13-L327 HydrophobicContact CB-CD2 4.47Å; L13-L327 HydrophobicContact CB-CG 4.47Å; L13-L327 HydrophobicContact CD1-CD2 4.15Å; L13-L327 HydrophobicContact CD1-CG 4.37Å; L13-L327 PolarHBondContact N-O 3.32Å; L14-L327 HydrophobicContact CB-CB 4.14Å; L14-L327 HydrophobicContact CD1-CB 4.45Å; L14-L327 PolarHBondContact N-O 3.46Å; L14-L327 PolarHBondContact O-N 2.87Å; V17-L327 HydrophobicContact CG2-CB 3.8Å; V36-L327 HydrophobicContact CG1-CD1 4.47Å; V65-L327 HydrophobicContact CG1-CD2 3.87Å; L67-L327 HydrophobicContact CD2-CD2 3.54Å; F320-L327 WeakPolarHBondContact O-CA 3.47Å; T321-L327 HydrophobicContact CG2-CD1 4.44Å
328	Y	97.4	Very high	91.6	Very high	14 Å²	14	33.1 Å²	33.1	6%	0.055	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	154.9	178.7	-62.1	-98.6	0	0	0	110.5	V10 E11 K12 P299 D301 V302 Y319 F320 H325	V10-Y328 HydrophobicContact CG1-CD1 4.06Å; V10-Y328 HydrophobicContact CG1-CG 4.4Å; E11-Y328 CarbonylContact O-C 3.54Å; E11-Y328 VanDerWaalsContact O-CA 3.25Å; E11-Y328 WeakPolarHBondContact O-CA 3.34Å; K12-Y328 HydrophobicContact CB-CD1 3.8Å; K12-Y328 HydrophobicContact CB-CE1 3.65Å; K12-Y328 HydrophobicContact CD-CE1 3.73Å; K12-Y328 WeakPolarHBondContact CD-OH 3.34Å; K12-Y328 WeakPolarHBondContact CE-OH 3.31Å; K12-Y328 HydrophobicContact CG-CD1 3.91Å; K12-Y328 HydrophobicContact CG-CE1 3.52Å; K12-Y328 HydrophobicContact CG-CE2 4.39Å; P299-Y328 HydrophobicContact CB-CD1 4.02Å; P299-Y328 HydrophobicContact CB-CD2 4.44Å; P299-Y328 HydrophobicContact CB-CE1 4.04Å; P299-Y328 HydrophobicContact CB-CG 4.21Å; P299-Y328 HydrophobicContact CG-CD1 3.72Å; P299-Y328 HydrophobicContact CG-CD2 4.31Å; P299-Y328 HydrophobicContact CG-CE1 4.26Å; P299-Y328 HydrophobicContact CG-CG 3.74Å; D301-Y328 PolarHBondContact OD2-OH 3.09Å; V302-Y328 HydrophobicContact CG1-CD2 3.91Å; V302-Y328 HydrophobicContact CG1-CE2 3.6Å; V302-Y328 HydrophobicContact CG2-CD2 4Å; V302-Y328 HydrophobicContact CG2-CE2 4.24Å; Y319-Y328 CarbonylContact C-O 3.48Å; Y319-Y328 VanDerWaalsContact CA-O 3.25Å; Y319-Y328 WeakPolarHBondContact CA-O 3.31Å; F320-Y328 PolarHBondContact N-O 2.92Å; F320-Y328 PolarHBondContact O-N 3.39Å; H325-Y328 WeakPolarHBondContact O-CE2 3.23Å; H325-Y328 PolarHBondContact O-OH 3.13Å
329	R	96.3	Very high	91.3	Very high	72 Å²	72	34.9 Å²	34.9	27%	0.272	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	140.7	177.3	179.6	178.7	67.2	-177.7	0.7	111.2	E11 L13 Q317 L318 Y319	E11-R329 PolarHBondContact N-O 2.96Å; E11-R329 PolarHBondContact O-N 3.27Å; E11-R329 IonicContact OE1-NH2 3.74Å; E11-R329 IonicContact OE2-CZ 2.9Å; E11-R329 IonicContact OE2-NE 3.51Å; E11-R329 IonicContact OE2-NH2 3.56Å; E11-R329 PolarHBondContact OE2-NH2 3.15Å; L13-R329 HydrophobicContact CD1-CB 3.8Å; L13-R329 HydrophobicContact CG-CB 4.11Å; Q317-R329 HydrophobicContact CB-CG 4.29Å; Q317-R329 VanDerWaalsContact OE1-CG 3.27Å; L318-R329 CarbonylContact O-C 3.58Å; L318-R329 VanDerWaalsContact O-CA 3.31Å; L318-R329 WeakPolarHBondContact O-CA 3.13Å; Y319-R329 HydrophobicContact CD1-CB 3.91Å; Y319-R329 HydrophobicContact CD1-CG 4.04Å; Y319-R329 HydrophobicContact CE1-CB 3.91Å; Y319-R329 VanDerWaalsContact CE1-CD 3.49Å; Y319-R329 HydrophobicContact CE1-CG 3.68Å
330	V	96	Very high	90.9	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.006	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	136.2	171.8	175.8	0	0	0	0	109.7	V8 V10 V296 Q317 L318 F320 M332 L335	V8-V330 HydrophobicContact CG1-CG1 3.8Å; V10-V330 HydrophobicContact CB-CG2 3.86Å; V10-V330 HydrophobicContact CG1-CG2 3.58Å; V10-V330 HydrophobicContact CG2-CG2 3.59Å; V296-V330 HydrophobicContact CG1-CG1 4.4Å; V296-V330 HydrophobicContact CG2-CG1 4.13Å; V296-V330 HydrophobicContact CG2-CG2 4.15Å; Q317-V330 PolarHBondContact OE1-O 3.03Å; L318-V330 PolarHBondContact N-O 3.02Å; L318-V330 PolarHBondContact O-N 3.24Å; F320-V330 HydrophobicContact CE2-CB 4.27Å; F320-V330 HydrophobicContact CE2-CG2 3.75Å; V330-M332 HydrophobicContact CB-SD 4.31Å; V330-M332 HydrophobicContact CG1-SD 3.68Å; V330-L335 HydrophobicContact CG1-CD1 4.37Å
331	N	94.8	Very high	90.5	Very high	52 Å²	52	38.9 Å²	38.9	28%	0.278	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	115.3	171.7	-175.1	-5.3	0	0	0	110.5	Q317 T333	Q317-N331 VanDerWaalsContact NE2-CG 3.27Å; Q317-N331 PolarHBondContact NE2-OD1 3.09Å; N331-T333 VanDerWaalsContact CG-OG1 3.25Å; N331-T333 PolarHBondContact ND2-OG1 2.91Å; N331-T333 WeakPolarHBondContact OD1-CB 3.17Å; N331-T333 WeakPolarHBondContact OD1-CG2 3.31Å; N331-T333 PolarHBondContact OD1-N 3.32Å; N331-T333 PolarHBondContact OD1-OG1 3.46Å
332	M	94.1	Very high	90.1	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-85	-12.2	-177.9	-55.1	-53.2	-60.1	0	0	113.7	W257 L262 I281 L294 F311 G316 L318 V330 E334 L335 V336	W257-M332 HydrophobicContact CE3-CB 4.39Å; W257-M332 HydrophobicContact CH2-CB 4.21Å; W257-M332 HydrophobicContact CZ3-CB 3.68Å; L262-M332 HydrophobicContact CD1-CB 4.46Å; L262-M332 HydrophobicContact CD1-CG 4.08Å; L262-M332 HydrophobicContact CD2-CE 4.14Å; I281-M332 HydrophobicContact CG2-CE 4.45Å; L294-M332 HydrophobicContact CD1-CE 3.27Å; F311-M332 HydrophobicContact CE2-CB 4.38Å; F311-M332 HydrophobicContact CE2-CG 3.99Å; G316-M332 VanDerWaalsContact O-CB 3.29Å; G316-M332 WeakPolarHBondContact O-CB 3.25Å; G316-M332 WeakPolarHBondContact O-CG 3.27Å; G316-M332 PolarHBondContact O-N 2.5Å; L318-M332 HydrophobicContact CB-CG 3.82Å; L318-M332 HydrophobicContact CB-SD 4Å; L318-M332 HydrophobicContact CD2-CG 4.47Å; L318-M332 HydrophobicContact CD2-SD 3.94Å; V330-M332 HydrophobicContact CB-SD 4.31Å; V330-M332 HydrophobicContact CG1-SD 3.68Å; M332-E334 PolarHBondContact O-N 3.13Å; M332-L335 HydrophobicContact CE-CB 4.38Å; M332-L335 HydrophobicContact CE-CD1 3.93Å; M332-L335 PolarHBondContact O-N 3.1Å; M332-L335 HydrophobicContact SD-CD1 4.21Å; M332-V336 PolarHBondContact O-N 3.4Å
333	T	90.2	Very high	90	Very high	72 Å²	72	43.9 Å²	43.9	44%	0.442	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-63.8	-22.5	-177.2	59.5	0	0	0	0	115	W257 N331	W257-T333 HydrophobicContact CH2-CG2 3.64Å; W257-T333 HydrophobicContact CZ2-CG2 3.89Å; N331-T333 VanDerWaalsContact CG-OG1 3.25Å; N331-T333 PolarHBondContact ND2-OG1 2.91Å; N331-T333 WeakPolarHBondContact OD1-CB 3.17Å; N331-T333 WeakPolarHBondContact OD1-CG2 3.31Å; N331-T333 PolarHBondContact OD1-N 3.32Å; N331-T333 PolarHBondContact OD1-OG1 3.46Å
334	E	79	Confident	90.3	Very high	120 Å²	120	46.9 Å²	46.9	56%	0.561	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-93	-3	176.4	-57.2	-167	167.4	0	0	112.9	M332	M332-E334 PolarHBondContact O-N 3.13Å
335	L	82	Confident	90.6	Very high	27 Å²	27	45.3 Å²	45.3	14%	0.141	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.6	-22.3	-169.2	-69	-177.7	0	0	0	115.4	V8 P295 V296 V330 M332	V8-L335 HydrophobicContact CB-CD1 4.25Å; V8-L335 HydrophobicContact CB-CD2 4.11Å; V8-L335 HydrophobicContact CB-CG 4.36Å; V8-L335 HydrophobicContact CG1-CD1 3.84Å; V8-L335 HydrophobicContact CG1-CG 4.23Å; V8-L335 HydrophobicContact CG2-CD1 4.23Å; V8-L335 HydrophobicContact CG2-CD2 3.38Å; V8-L335 HydrophobicContact CG2-CG 3.79Å; P295-L335 HydrophobicContact CG-CD2 3.55Å; V296-L335 HydrophobicContact CB-CD1 4.12Å; V296-L335 HydrophobicContact CG1-CD1 3.37Å; V330-L335 HydrophobicContact CG1-CD1 4.37Å; M332-L335 HydrophobicContact CE-CB 4.38Å; M332-L335 HydrophobicContact CE-CD1 3.93Å; M332-L335 PolarHBondContact O-N 3.1Å; M332-L335 HydrophobicContact SD-CD1 4.21Å
336	V	80.1	Confident	90.7	Very high	97 Å²	97	41.5 Å²	41.5	59%	0.588	21%	0.213	S	C	*	.			trans	-111	0	-174	-176	0	0	0	0	111	W257 T260 L262 L294 M332	W257-V336 HydrophobicContact CE3-CB 4.19Å; W257-V336 HydrophobicContact CE3-CG1 4.35Å; W257-V336 HydrophobicContact CE3-CG2 4.12Å; W257-V336 HydrophobicContact CZ3-CB 3.85Å; W257-V336 HydrophobicContact CZ3-CG1 4.47Å; W257-V336 HydrophobicContact CZ3-CG2 3.87Å; T260-V336 HydrophobicContact CG2-CG1 3.72Å; L262-V336 HydrophobicContact CD2-CG2 3.85Å; L294-V336 HydrophobicContact CD1-CG2 4.45Å; M332-V336 PolarHBondContact O-N 3.4Å

Retrieved 336 of 336 residues in 751.4 ms (Link to these results)

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