A0A093GSW0_STRCA Loading...

Kelch-like 41

AlphaFold DB , UniProt , Accession A0A093GSW0, Species STRCA (Struthio camelus australis), Gene n/a, Length 606 aa.

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(Predicted Aligned Error values between residue pairs)

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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	55.1	Low	78.6	Confident	193 Å²	193	125.9 Å²	125.9	95%	0.951	63%	0.627	S	S	*	*				0	-38.7	0	-97.8	-177	-79.3	0	0	110.5	R5	M1-R5 PolarHBondContact O-N 3.28Å
2	D	64.1	Low	79.6	Confident	111 Å²	111	132.2 Å²	132.2	59%	0.594	64%	0.638	S	S	*	*	H	α-helix	trans	-70.5	-42.6	178.3	-58.7	-40.9	0	0	0	114.1	Q4 R5 E6	D2-Q4 VanDerWaalsContact C-N 3.29Å; D2-Q4 PolarHBondContact O-N 3.41Å; D2-R5 WeakPolarHBondContact O-CB 3.47Å; D2-R5 PolarHBondContact O-N 2.81Å; D2-R5 VanDerWaalsContact O-N 3.09Å; D2-E6 WeakPolarHBondContact O-CG 3.03Å; D2-E6 PolarHBondContact O-N 3.3Å
3	S	70.2	Confident	80.3	Confident	89 Å²	89	130.8 Å²	130.8	62%	0.622	64%	0.635	S	S	*	*	H	α-helix	trans	-64.9	-28.6	-179.8	73.6	0	0	0	0	115	L7	S3-L7 PolarHBondContact O-N 2.96Å
4	Q	74.7	Confident	81	Confident	147 Å²	147	132.5 Å²	132.5	69%	0.687	63%	0.633	S	S	*	*	H	α-helix	trans	-80.8	-27.6	178.4	-155.7	176.5	3	0	0	111.2	D2 T8	D2-Q4 VanDerWaalsContact C-N 3.29Å; D2-Q4 PolarHBondContact O-N 3.41Å; Q4-T8 WeakPolarHBondContact O-CB 3.34Å; Q4-T8 PolarHBondContact O-N 3.5Å; Q4-T8 PolarHBondContact O-OG1 3.21Å
5	R	77.9	Confident	81.8	Confident	171 Å²	171	131.1 Å²	131.1	65%	0.645	63%	0.625	S	S	*	*	H	α-helix	trans	-71.2	-47	170.3	-82.7	-179.5	171.2	172.6	-4.2	110.9	M1 D2 L7 T8 E9	M1-R5 PolarHBondContact O-N 3.28Å; D2-R5 WeakPolarHBondContact O-CB 3.47Å; D2-R5 PolarHBondContact O-N 2.81Å; D2-R5 VanDerWaalsContact O-N 3.09Å; R5-L7 PolarHBondContact O-N 3.4Å; R5-T8 WeakPolarHBondContact O-CB 3.43Å; R5-T8 PolarHBondContact O-N 3.31Å; R5-T8 VanDerWaalsContact O-N 3.1Å; R5-E9 WeakPolarHBondContact O-CG 3.27Å; R5-E9 PolarHBondContact O-N 2.79Å
6	E	82.7	Confident	82.3	Confident	118 Å²	118	126.3 Å²	126.3	55%	0.551	61%	0.61	S	S	*	*	H	α-helix	trans	-55.7	-50.4	176.8	-73.5	171	170.9	0	0	111.7	D2 T8 E9 E10	D2-E6 WeakPolarHBondContact O-CG 3.03Å; D2-E6 PolarHBondContact O-N 3.3Å; E6-T8 VanDerWaalsContact C-N 3.27Å; E6-T8 PolarHBondContact O-N 2.87Å; E6-E9 PolarHBondContact O-N 3.04Å; E6-E9 VanDerWaalsContact O-N 3.15Å; E6-E10 PolarHBondContact O-N 3.28Å
7	L	86	Confident	82.7	Confident	97 Å²	97	122.4 Å²	122.4	51%	0.508	60%	0.596	S	S	.	*	H	α-helix	trans	-61.1	-36.1	177.4	-174.8	68	0	0	0	112.7	S3 R5 L11	S3-L7 PolarHBondContact O-N 2.96Å; R5-L7 PolarHBondContact O-N 3.4Å; L7-L11 HydrophobicContact CG-CD1 4.29Å; L7-L11 WeakPolarHBondContact O-CB 3.38Å; L7-L11 VanDerWaalsContact O-CG 3.32Å; L7-L11 WeakPolarHBondContact O-CG 3.47Å; L7-L11 PolarHBondContact O-N 3.41Å
8	T	86.9	Confident	83.3	Confident	89 Å²	89	120.6 Å²	120.6	55%	0.546	59%	0.589	S	S	.	*	H	α-helix	trans	-69.3	-37.9	178	-57.5	0	0	0	0	111.3	Q4 R5 E6 R12	Q4-T8 WeakPolarHBondContact O-CB 3.34Å; Q4-T8 PolarHBondContact O-N 3.5Å; Q4-T8 PolarHBondContact O-OG1 3.21Å; R5-T8 WeakPolarHBondContact O-CB 3.43Å; R5-T8 PolarHBondContact O-N 3.31Å; R5-T8 VanDerWaalsContact O-N 3.1Å; E6-T8 VanDerWaalsContact C-N 3.27Å; E6-T8 PolarHBondContact O-N 2.87Å; T8-R12 WeakPolarHBondContact O-CB 3.35Å; T8-R12 PolarHBondContact O-N 3.27Å; T8-R12 VanDerWaalsContact O-N 3.08Å
9	E	88.9	Confident	83.8	Confident	133 Å²	133	119.7 Å²	119.7	62%	0.621	59%	0.586	S	S	*	*	H	α-helix	trans	-68.4	-42.4	175.8	-73.3	179.3	175.1	0	0	111.8	R5 E6 R12 L13	R5-E9 WeakPolarHBondContact O-CG 3.27Å; R5-E9 PolarHBondContact O-N 2.79Å; E6-E9 PolarHBondContact O-N 3.04Å; E6-E9 VanDerWaalsContact O-N 3.15Å; E9-R12 PolarHBondContact O-N 3.21Å; E9-L13 WeakPolarHBondContact O-CB 3.46Å; E9-L13 PolarHBondContact O-N 3.47Å
10	E	88.8	Confident	84.1	Confident	129 Å²	129	116.8 Å²	116.8	60%	0.603	57%	0.571	S	S	*	*	H	α-helix	trans	-59.9	-47.7	174.5	-75.9	-175.5	166.6	0	0	112.1	E6 R12 L13 Y14	E6-E10 PolarHBondContact O-N 3.28Å; E10-R12 VanDerWaalsContact C-N 3.3Å; E10-R12 PolarHBondContact O-N 2.88Å; E10-L13 PolarHBondContact O-N 3.22Å; E10-Y14 WeakPolarHBondContact O-CB 3.42Å; E10-Y14 PolarHBondContact O-N 2.91Å
11	L	89.5	Confident	84.5	Confident	108 Å²	108	114.9 Å²	114.9	57%	0.565	56%	0.564	S	S	*	*	H	α-helix	trans	-61.9	-39.3	177.7	-76.2	169.3	0	0	0	111.8	L7 Q15	L7-L11 HydrophobicContact CG-CD1 4.29Å; L7-L11 WeakPolarHBondContact O-CB 3.38Å; L7-L11 VanDerWaalsContact O-CG 3.32Å; L7-L11 WeakPolarHBondContact O-CG 3.47Å; L7-L11 PolarHBondContact O-N 3.41Å; L11-Q15 WeakPolarHBondContact O-CB 3.19Å; L11-Q15 PolarHBondContact O-N 3.41Å
12	R	90.4	Very high	86.4	Confident	201 Å²	201	107 Å²	107	76%	0.758	53%	0.532	S	S	*	.	H	α-helix	trans	-66.1	-43.8	176.5	-173.7	179.6	179.2	-173.6	-1.1	111.3	T8 E9 E10 Q15 S16	T8-R12 WeakPolarHBondContact O-CB 3.35Å; T8-R12 PolarHBondContact O-N 3.27Å; T8-R12 VanDerWaalsContact O-N 3.08Å; E9-R12 PolarHBondContact O-N 3.21Å; E10-R12 VanDerWaalsContact C-N 3.3Å; E10-R12 PolarHBondContact O-N 2.88Å; R12-Q15 PolarHBondContact O-N 3.14Å; R12-S16 VanDerWaalsContact O-CB 3.32Å; R12-S16 WeakPolarHBondContact O-CB 3.43Å; R12-S16 PolarHBondContact O-N 3.06Å; R12-S16 PolarHBondContact O-OG 2.92Å
13	L	89.2	Confident	87.8	Confident	114 Å²	114	103.9 Å²	103.9	60%	0.597	52%	0.515	S	S	*	.	H	α-helix	trans	-62	-48.4	177.4	-176.6	64.4	0	0	0	110.7	E9 E10 Q15 S16 T17	E9-L13 WeakPolarHBondContact O-CB 3.46Å; E9-L13 PolarHBondContact O-N 3.47Å; E10-L13 PolarHBondContact O-N 3.22Å; L13-Q15 PolarHBondContact O-N 3.38Å; L13-S16 WeakPolarHBondContact CA-OG 3.49Å; L13-S16 PolarHBondContact O-N 3.36Å; L13-S16 PolarHBondContact O-OG 3.06Å; L13-T17 WeakPolarHBondContact O-CB 3.43Å; L13-T17 PolarHBondContact O-N 3.37Å; L13-T17 PolarHBondContact O-OG1 3.49Å
14	Y	89.6	Confident	88.9	Confident	155 Å²	155	103.5 Å²	103.5	61%	0.608	50%	0.502	S	S	*	.	H	α-helix	trans	-57.1	-51.4	176.8	179.5	-96.7	0	0	0	111.7	E10 S16 T17 L18	E10-Y14 WeakPolarHBondContact O-CB 3.42Å; E10-Y14 PolarHBondContact O-N 2.91Å; Y14-S16 VanDerWaalsContact C-N 3.32Å; Y14-S16 PolarHBondContact O-N 3.29Å; Y14-T17 PolarHBondContact O-N 3.21Å; Y14-L18 HydrophobicContact CE1-CD2 4.34Å; Y14-L18 WeakPolarHBondContact O-CB 3.22Å; Y14-L18 PolarHBondContact O-N 3.34Å
15	Q	92.6	Very high	89.8	Confident	112 Å²	112	102.3 Å²	102.3	52%	0.523	50%	0.497	S	S	.	.	H	α-helix	trans	-63.9	-37	-179.9	-174.5	60.1	30.8	0	0	112.4	L11 R12 L13 L19	L11-Q15 WeakPolarHBondContact O-CB 3.19Å; L11-Q15 PolarHBondContact O-N 3.41Å; R12-Q15 PolarHBondContact O-N 3.14Å; L13-Q15 PolarHBondContact O-N 3.38Å; Q15-L19 WeakPolarHBondContact O-CB 3.31Å; Q15-L19 PolarHBondContact O-N 2.97Å; Q15-L19 VanDerWaalsContact O-N 3.07Å
16	S	89.8	Confident	90.6	Very high	54 Å²	54	96.8 Å²	96.8	38%	0.378	48%	0.479	S	S	.	.	H	α-helix	trans	-66.7	-41.5	176.7	66.4	0	0	0	0	112.2	R12 L13 Y14 L19 Q20	R12-S16 VanDerWaalsContact O-CB 3.32Å; R12-S16 WeakPolarHBondContact O-CB 3.43Å; R12-S16 PolarHBondContact O-N 3.06Å; R12-S16 PolarHBondContact O-OG 2.92Å; L13-S16 WeakPolarHBondContact CA-OG 3.49Å; L13-S16 PolarHBondContact O-N 3.36Å; L13-S16 PolarHBondContact O-OG 3.06Å; Y14-S16 VanDerWaalsContact C-N 3.32Å; Y14-S16 PolarHBondContact O-N 3.29Å; S16-L19 PolarHBondContact O-N 3.49Å; S16-Q20 VanDerWaalsContact O-CB 3.24Å; S16-Q20 WeakPolarHBondContact O-CB 3.46Å; S16-Q20 PolarHBondContact O-N 3.18Å
17	T	90	Very high	91.1	Very high	60 Å²	60	92.2 Å²	92.2	37%	0.368	46%	0.459	S	S	.	.	H	α-helix	trans	-65.8	-48	178.6	-50.3	0	0	0	0	110.2	L13 Y14 L19 Q20 D21	L13-T17 WeakPolarHBondContact O-CB 3.43Å; L13-T17 PolarHBondContact O-N 3.37Å; L13-T17 PolarHBondContact O-OG1 3.49Å; Y14-T17 PolarHBondContact O-N 3.21Å; T17-L19 VanDerWaalsContact C-N 3.34Å; T17-L19 PolarHBondContact O-N 2.83Å; T17-Q20 PolarHBondContact O-N 3.11Å; T17-Q20 VanDerWaalsContact O-N 3.15Å; T17-D21 PolarHBondContact O-N 3Å
18	L	92.7	Very high	91.4	Very high	90 Å²	90	93.9 Å²	93.9	47%	0.471	46%	0.464	S	S	.	.	H	α-helix	trans	-58.5	-43.7	177.6	-178.3	67.3	0	0	0	112.4	Y14 Q20 G22	Y14-L18 HydrophobicContact CE1-CD2 4.34Å; Y14-L18 WeakPolarHBondContact O-CB 3.22Å; Y14-L18 PolarHBondContact O-N 3.34Å; L18-Q20 VanDerWaalsContact C-N 3.35Å; L18-G22 PolarHBondContact O-N 3.48Å
19	L	92.3	Very high	91.8	Very high	103 Å²	103	95.9 Å²	95.9	54%	0.539	47%	0.467	S	S	.	.	H	α-helix	trans	-64.1	-43	177.4	177.7	63.3	0	0	0	111.3	Q15 S16 T17 G22 L23	Q15-L19 WeakPolarHBondContact O-CB 3.31Å; Q15-L19 PolarHBondContact O-N 2.97Å; Q15-L19 VanDerWaalsContact O-N 3.07Å; S16-L19 PolarHBondContact O-N 3.49Å; T17-L19 VanDerWaalsContact C-N 3.34Å; T17-L19 PolarHBondContact O-N 2.83Å; L19-G22 PolarHBondContact O-N 3.14Å; L19-L23 HydrophobicContact CD1-CD1 4.21Å; L19-L23 HydrophobicContact CD1-CG 4.31Å; L19-L23 HydrophobicContact CG-CD1 4.04Å; L19-L23 WeakPolarHBondContact O-CB 3.45Å; L19-L23 VanDerWaalsContact O-CG 3.23Å; L19-L23 WeakPolarHBondContact O-CG 3.48Å; L19-L23 PolarHBondContact O-N 3.43Å
20	Q	91.6	Very high	92	Very high	61 Å²	61	96.7 Å²	96.7	29%	0.285	47%	0.469	S	S	.	.	H	α-helix	trans	-66.4	-47.3	-178.2	-175.7	179.4	-30.2	0	0	111.8	S16 T17 L18 G22 L23 K24 Y92 S93	S16-Q20 VanDerWaalsContact O-CB 3.24Å; S16-Q20 WeakPolarHBondContact O-CB 3.46Å; S16-Q20 PolarHBondContact O-N 3.18Å; T17-Q20 PolarHBondContact O-N 3.11Å; T17-Q20 VanDerWaalsContact O-N 3.15Å; L18-Q20 VanDerWaalsContact C-N 3.35Å; Q20-G22 VanDerWaalsContact C-N 3.34Å; Q20-G22 PolarHBondContact O-N 3.17Å; Q20-L23 PolarHBondContact O-N 3.45Å; Q20-K24 WeakPolarHBondContact O-CB 3.36Å; Q20-K24 PolarHBondContact O-N 3Å; Q20-Y92 WeakPolarHBondContact CG-O 3.37Å; Q20-S93 PolarHBondContact NE2-O 3.45Å
21	D	92	Very high	92.2	Very high	78 Å²	78	95.6 Å²	95.6	42%	0.417	46%	0.462	S	S	.	.	H	α-helix	trans	-60.7	-44.6	175.6	-70.9	-22.8	0	0	0	111	T17 L23 K24 E25	T17-D21 PolarHBondContact O-N 3Å; D21-L23 PolarHBondContact O-N 3.24Å; D21-K24 WeakPolarHBondContact O-CB 3.28Å; D21-K24 PolarHBondContact O-N 3.28Å; D21-E25 WeakPolarHBondContact O-CG 3.17Å; D21-E25 PolarHBondContact O-N 3.15Å
22	G	93.8	Very high	92.4	Very high	27 Å²	27	98.5 Å²	98.5	28%	0.278	47%	0.47	S	S	.	.	H	α-helix	trans	-60.9	-42	175.6	0	0	0	0	0	113	L18 L19 Q20 K24 E25 L26	L18-G22 PolarHBondContact O-N 3.48Å; L19-G22 PolarHBondContact O-N 3.14Å; Q20-G22 VanDerWaalsContact C-N 3.34Å; Q20-G22 PolarHBondContact O-N 3.17Å; G22-K24 VanDerWaalsContact C-N 3.32Å; G22-K24 PolarHBondContact O-N 3.2Å; G22-E25 PolarHBondContact O-N 2.95Å; G22-L26 VanDerWaalsContact O-CG 3.27Å; G22-L26 WeakPolarHBondContact O-CG 3.37Å; G22-L26 PolarHBondContact O-N 2.87Å
23	L	93.6	Very high	92.5	Very high	46 Å²	46	91.6 Å²	91.6	24%	0.241	45%	0.447	C	S	.	.	H	α-helix	trans	-65.3	-36.5	176.1	-73.6	169.4	0	0	0	112.2	L19 Q20 D21 L27 I50 Y92	L19-L23 HydrophobicContact CD1-CD1 4.21Å; L19-L23 HydrophobicContact CD1-CG 4.31Å; L19-L23 HydrophobicContact CG-CD1 4.04Å; L19-L23 WeakPolarHBondContact O-CB 3.45Å; L19-L23 VanDerWaalsContact O-CG 3.23Å; L19-L23 WeakPolarHBondContact O-CG 3.48Å; L19-L23 PolarHBondContact O-N 3.43Å; Q20-L23 PolarHBondContact O-N 3.45Å; D21-L23 PolarHBondContact O-N 3.24Å; L23-L27 PolarHBondContact O-N 3.13Å; L23-L27 VanDerWaalsContact O-N 3.17Å; L23-I50 HydrophobicContact CD1-CD1 3.62Å; L23-I50 HydrophobicContact CD2-CD1 4.01Å; L23-I50 HydrophobicContact CD2-CG1 4.47Å; L23-I50 HydrophobicContact CG-CD1 4.4Å; L23-Y92 HydrophobicContact CB-CD1 4.03Å; L23-Y92 HydrophobicContact CB-CE1 4.44Å; L23-Y92 WeakPolarHBondContact O-CD1 3.48Å
24	K	93.1	Very high	92.7	Very high	81 Å²	81	89.6 Å²	89.6	35%	0.352	44%	0.438	S	S	.	.	H	α-helix	trans	-65.9	-47	175.7	-176.7	-174.9	172.1	-170.3	0	111.3	Q20 D21 G22 L26 L27 E28	Q20-K24 WeakPolarHBondContact O-CB 3.36Å; Q20-K24 PolarHBondContact O-N 3Å; D21-K24 WeakPolarHBondContact O-CB 3.28Å; D21-K24 PolarHBondContact O-N 3.28Å; G22-K24 VanDerWaalsContact C-N 3.32Å; G22-K24 PolarHBondContact O-N 3.2Å; K24-L26 VanDerWaalsContact C-N 3.32Å; K24-L26 PolarHBondContact O-N 3.31Å; K24-L27 WeakPolarHBondContact O-CB 3.45Å; K24-L27 PolarHBondContact O-N 3.32Å; K24-L27 VanDerWaalsContact O-N 3.13Å; K24-E28 WeakPolarHBondContact CE-OE1 3.26Å; K24-E28 WeakPolarHBondContact O-CG 3.31Å; K24-E28 PolarHBondContact O-N 3.38Å
25	E	94.4	Very high	92.9	Very high	122 Å²	122	82.4 Å²	82.4	57%	0.57	41%	0.41	S	S	*	.	H	α-helix	trans	-57.5	-44.3	175.3	-73.8	178.4	175.3	0	0	111.5	D21 G22 L27 E28 E29	D21-E25 WeakPolarHBondContact O-CG 3.17Å; D21-E25 PolarHBondContact O-N 3.15Å; G22-E25 PolarHBondContact O-N 2.95Å; E25-L27 VanDerWaalsContact C-N 3.29Å; E25-L27 PolarHBondContact O-N 2.63Å; E25-E28 PolarHBondContact O-N 2.89Å; E25-E29 WeakPolarHBondContact O-CB 3.47Å; E25-E29 WeakPolarHBondContact O-CG 3.48Å; E25-E29 PolarHBondContact O-N 3.14Å
26	L	94.9	Very high	93	Very high	54 Å²	54	78.2 Å²	78.2	28%	0.283	39%	0.393	S	S	.	.	H	α-helix	trans	-60.6	-37.3	177.1	-69.3	174.9	0	0	0	112.7	G22 K24 K30 K31 F32	G22-L26 VanDerWaalsContact O-CG 3.27Å; G22-L26 WeakPolarHBondContact O-CG 3.37Å; G22-L26 PolarHBondContact O-N 2.87Å; K24-L26 VanDerWaalsContact C-N 3.32Å; K24-L26 PolarHBondContact O-N 3.31Å; L26-K30 PolarHBondContact O-N 2.86Å; L26-K30 VanDerWaalsContact O-N 3.17Å; L26-K31 HydrophobicContact CD2-CB 3.8Å; L26-K31 HydrophobicContact CD2-CG 4.34Å; L26-K31 PolarHBondContact O-N 2.75Å; L26-F32 HydrophobicContact CD1-CD2 4.3Å; L26-F32 HydrophobicContact CD2-CD2 3.96Å; L26-F32 HydrophobicContact CD2-CE2 4.01Å
27	L	93.6	Very high	93.3	Very high	23 Å²	23	75.7 Å²	75.7	12%	0.12	38%	0.375	C	S	.	.	H	α-helix	trans	-65.5	-47	174.5	-174.6	74.1	0	0	0	111.5	L23 K24 E25 K30 I33 P45 Y92	L23-L27 PolarHBondContact O-N 3.13Å; L23-L27 VanDerWaalsContact O-N 3.17Å; K24-L27 WeakPolarHBondContact O-CB 3.45Å; K24-L27 PolarHBondContact O-N 3.32Å; K24-L27 VanDerWaalsContact O-N 3.13Å; E25-L27 VanDerWaalsContact C-N 3.29Å; E25-L27 PolarHBondContact O-N 2.63Å; L27-K30 PolarHBondContact O-N 2.97Å; L27-K30 VanDerWaalsContact O-N 3.08Å; L27-I33 HydrophobicContact CD1-CD1 3.89Å; L27-P45 VanDerWaalsContact CD1-O 3.27Å; L27-P45 WeakPolarHBondContact CD1-O 3.37Å; L27-Y92 HydrophobicContact CB-CD1 4.17Å; L27-Y92 HydrophobicContact CB-CE1 4.2Å; L27-Y92 HydrophobicContact CD1-CE1 4.37Å; L27-Y92 HydrophobicContact CD1-CE2 4.15Å; L27-Y92 HydrophobicContact CD2-CD1 4.23Å; L27-Y92 HydrophobicContact CD2-CD2 3.6Å; L27-Y92 HydrophobicContact CD2-CE1 4.44Å; L27-Y92 HydrophobicContact CD2-CE2 3.84Å; L27-Y92 HydrophobicContact CD2-CG 3.82Å
28	E	92.8	Very high	93.5	Very high	132 Å²	132	76.1 Å²	76.1	62%	0.617	37%	0.372	S	S	*	.	H	α-helix	trans	-63.7	-40.4	-179.2	-71.2	178.3	178.7	0	0	112	K24 E25 K30	K24-E28 WeakPolarHBondContact CE-OE1 3.26Å; K24-E28 WeakPolarHBondContact O-CG 3.31Å; K24-E28 PolarHBondContact O-N 3.38Å; E25-E28 PolarHBondContact O-N 2.89Å; E28-K30 PolarHBondContact O-N 3.14Å
29	E	94.6	Very high	93.5	Very high	130 Å²	130	71.9 Å²	71.9	61%	0.607	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-2.3	174.8	-66.5	-168.4	174.5	0	0	114.1	E25 K31	E25-E29 WeakPolarHBondContact O-CB 3.47Å; E25-E29 WeakPolarHBondContact O-CG 3.48Å; E25-E29 PolarHBondContact O-N 3.14Å; E29-K31 HydrophobicContact CB-CG 3.75Å; E29-K31 PolarHBondContact O-N 3.28Å
30	K	92.6	Very high	93.2	Very high	151 Å²	151	69.6 Å²	69.6	66%	0.657	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	37.7	-176.1	-55.8	179.6	-179.2	179.5	0	113	L26 L27 E28 I33	L26-K30 PolarHBondContact O-N 2.86Å; L26-K30 VanDerWaalsContact O-N 3.17Å; L27-K30 PolarHBondContact O-N 2.97Å; L27-K30 VanDerWaalsContact O-N 3.08Å; E28-K30 PolarHBondContact O-N 3.14Å; K30-I33 HydrophobicContact CB-CG1 4.3Å
31	K	93.1	Very high	93	Very high	105 Å²	105	75 Å²	75	46%	0.457	38%	0.382	S	S	.	.			trans	-88.8	144	176.3	-61.1	-66.7	-179.5	175.9	0	109.8	L26 E29 I33 H47	L26-K31 HydrophobicContact CD2-CB 3.8Å; L26-K31 HydrophobicContact CD2-CG 4.34Å; L26-K31 PolarHBondContact O-N 2.75Å; E29-K31 HydrophobicContact CB-CG 3.75Å; E29-K31 PolarHBondContact O-N 3.28Å; K31-I33 PolarHBondContact O-N 2.83Å; K31-H47 PolarHBondContact O-NE2 2.88Å
32	F	93.2	Very high	93	Very high	170 Å²	170	76 Å²	76	75%	0.746	38%	0.38	S	S	*	.	S	Bend	trans	54.5	18.9	177	-50.4	-69.9	0	0	0	116.3	L26 D34 H47	L26-F32 HydrophobicContact CD1-CD2 4.3Å; L26-F32 HydrophobicContact CD2-CD2 3.96Å; L26-F32 HydrophobicContact CD2-CE2 4.01Å; F32-D34 PolarHBondContact O-N 3.33Å; F32-H47 PolarHBondContact O-CD2 3.24Å; F32-H47 VanDerWaalsContact O-CD2 3.26Å
33	I	93.8	Very high	93	Very high	55 Å²	55	77.9 Å²	77.9	28%	0.282	39%	0.389	S	S	.	.			trans	-63.9	123.6	174.8	-57.4	-61	0	0	0	109.8	L27 K30 K31 C35 P45	L27-I33 HydrophobicContact CD1-CD1 3.89Å; K30-I33 HydrophobicContact CB-CG1 4.3Å; K31-I33 PolarHBondContact O-N 2.83Å; I33-C35 VanDerWaalsContact CG2-O 3.29Å; I33-C35 WeakPolarHBondContact CG2-O 3.34Å; I33-P45 HydrophobicContact CD1-CB 4.13Å; I33-P45 HydrophobicContact CG1-CB 4.16Å; I33-P45 HydrophobicContact CG2-CB 3.77Å
34	D	92.9	Very high	93.1	Very high	73 Å²	73	76.1 Å²	76.1	39%	0.39	38%	0.38	S	S	.	.			trans	-123.9	-1.4	-176	63.4	-9.8	0	0	0	113.2	F32 H47 R48	F32-D34 PolarHBondContact O-N 3.33Å; D34-H47 VanDerWaalsContact OD1-CA 3.24Å; D34-H47 WeakPolarHBondContact OD1-CA 2.94Å; D34-R48 WeakPolarHBondContact OD1-CG 3.43Å; D34-R48 PolarHBondContact OD1-N 3.34Å
35	C	94.4	Very high	93.1	Very high	4 Å²	4	74.4 Å²	74.4	3%	0.027	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	167.7	167.9	67.4	0	0	0	0	112.7	I33 C46 R48 F62 K71 K72	I33-C35 VanDerWaalsContact CG2-O 3.29Å; I33-C35 WeakPolarHBondContact CG2-O 3.34Å; C35-C46 PolarHBondContact N-O 3.1Å; C35-C46 PolarHBondContact O-N 3.48Å; C35-C46 PolarHBondContact SG-O 3.4Å; C35-R48 HydrophobicContact CB-CG 3.48Å; C35-R48 VanDerWaalsContact CB-CG 3.48Å; C35-R48 WeakPolarHBondContact SG-CG 3.31Å; C35-F62 HydrophobicContact CB-CE1 4.49Å; C35-F62 HydrophobicContact CB-CZ 4.36Å; C35-K71 VanDerWaalsContact CB-O 3.3Å; C35-K71 WeakPolarHBondContact CB-O 3.14Å; C35-K72 CarbonylContact C-O 3.21Å; C35-K72 WeakPolarHBondContact CA-O 3.23Å
36	S	94.3	Very high	93.2	Very high	24 Å²	24	68.6 Å²	68.6	17%	0.168	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	137.9	171.5	57.9	0	0	0	0	110.5	S43 L44 K72 V74	S36-S43 WeakPolarHBondContact CB-OG 3.3Å; S36-L44 CarbonylContact C-O 3.43Å; S36-L44 WeakPolarHBondContact CA-O 3.47Å; S36-K72 PolarHBondContact N-O 3.28Å; S36-K72 PolarHBondContact OG-O 3.27Å; S36-V74 PolarHBondContact O-N 3Å
37	L	95.3	Very high	93.2	Very high	1 Å²	1	66.8 Å²	66.8	1%	0.005	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	120.2	173.8	-58.4	-177.3	0	0	0	108.6	S43 L44 L51 F58 V74 L76 L84 V88	L37-S43 WeakPolarHBondContact O-CA 3.44Å; L37-L44 PolarHBondContact N-O 3.35Å; L37-L44 PolarHBondContact O-N 3.27Å; L37-L51 HydrophobicContact CD1-CD1 4.16Å; L37-L51 HydrophobicContact CD1-CD2 4.31Å; L37-L51 HydrophobicContact CD2-CD1 4.01Å; L37-L51 HydrophobicContact CG-CD1 4.21Å; L37-F58 HydrophobicContact CD1-CZ 4.09Å; L37-F58 HydrophobicContact CD2-CE1 3.9Å; L37-F58 HydrophobicContact CD2-CZ 4.24Å; L37-V74 HydrophobicContact CD2-CB 3.79Å; L37-V74 HydrophobicContact CD2-CG1 4.22Å; L37-V74 HydrophobicContact CD2-CG2 4.22Å; L37-L76 HydrophobicContact CB-CD1 4.21Å; L37-L76 HydrophobicContact CD1-CD1 4.44Å; L37-L76 HydrophobicContact CD2-CD1 4.46Å; L37-L84 HydrophobicContact CB-CD2 4.14Å; L37-L84 HydrophobicContact CD1-CD1 4.28Å; L37-L84 HydrophobicContact CD1-CD2 4.5Å; L37-V88 HydrophobicContact CD1-CG2 3.99Å
38	K	93.9	Very high	93.2	Very high	69 Å²	69	67.9 Å²	67.9	30%	0.3	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	117.5	179.4	-171.7	-172.8	-154.1	145.8	0	110.1	R42 E73 V74 V75 L76	K38-R42 WeakPolarHBondContact CA-O 3.26Å; K38-E73 HydrophobicContact CB-CG 4.27Å; K38-E73 HydrophobicContact CD-CG 4.47Å; K38-E73 WeakPolarHBondContact CD-OE1 3.34Å; K38-E73 IonicContact NZ-OE1 2.72Å; K38-E73 PolarHBondContact NZ-OE1 2.78Å; K38-E73 IonicContact NZ-OE2 3.66Å; K38-V74 PolarHBondContact N-O 3.09Å; K38-V75 HydrophobicContact CB-CG2 4.41Å; K38-V75 HydrophobicContact CD-CG2 4.05Å; K38-L76 PolarHBondContact O-N 3.2Å
39	A	93.2	Very high	93.2	Very high	0 Å²	0	68 Å²	68	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	114.1	173.6	0	0	0	0	0	108.4	D41 R42 V79 P81 L84	A39-D41 PolarHBondContact O-N 2.63Å; A39-R42 PolarHBondContact N-O 3.25Å; A39-R42 PolarHBondContact O-N 2.86Å; A39-R42 VanDerWaalsContact O-N 3.07Å; A39-V79 HydrophobicContact CB-CB 4.14Å; A39-V79 HydrophobicContact CB-CG1 4.19Å; A39-P81 HydrophobicContact CB-CB 4.38Å; A39-P81 HydrophobicContact CB-CG 4.18Å; A39-P81 WeakPolarHBondContact O-CG 3.5Å; A39-L84 HydrophobicContact CB-CD2 3.8Å
40	G	87.1	Confident	93.2	Very high	56 Å²	56	62.7 Å²	62.7	58%	0.577	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	-123.1	-171	0	0	0	0	0	111.8
41	D	86.2	Confident	93.4	Very high	175 Å²	175	55.6 Å²	55.6	94%	0.936	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-2.3	-178.7	-63	-29.6	0	0	0	113.9	A39	A39-D41 PolarHBondContact O-N 2.63Å
42	R	93.4	Very high	93.4	Very high	98 Å²	98	51.6 Å²	51.6	37%	0.37	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	139.1	-179	-73.7	-177.5	62.4	-177.7	-2.9	111.4	K38 A39 P81 D82	K38-R42 WeakPolarHBondContact CA-O 3.26Å; A39-R42 PolarHBondContact N-O 3.25Å; A39-R42 PolarHBondContact O-N 2.86Å; A39-R42 VanDerWaalsContact O-N 3.07Å; R42-P81 HydrophobicContact CB-CB 3.92Å; R42-P81 HydrophobicContact CB-CG 4.37Å; R42-P81 HydrophobicContact CG-CB 4.23Å; R42-D82 IonicContact CZ-OD1 3.6Å; R42-D82 IonicContact NH1-OD1 2.96Å; R42-D82 PolarHBondContact NH1-OD1 3.34Å
43	S	93.1	Very high	93.5	Very high	66 Å²	66	46.3 Å²	46.3	46%	0.462	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	122.4	174.3	-178.9	0	0	0	0	109.5	S36 L37	S36-S43 WeakPolarHBondContact CB-OG 3.3Å; L37-S43 WeakPolarHBondContact O-CA 3.44Å
44	L	94.4	Very high	93.5	Very high	10 Å²	10	46 Å²	46	5%	0.052	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	116.4	-174.9	-57	174.5	0	0	0	109.1	S36 L37 L84 D85	S36-L44 CarbonylContact C-O 3.43Å; S36-L44 WeakPolarHBondContact CA-O 3.47Å; L37-L44 PolarHBondContact N-O 3.35Å; L37-L44 PolarHBondContact O-N 3.27Å; L44-L84 HydrophobicContact CD1-CB 4.12Å; L44-L84 HydrophobicContact CD1-CD2 3.73Å; L44-L84 HydrophobicContact CD1-CG 3.71Å; L44-D85 HydrophobicContact CD1-CB 4.09Å; L44-D85 HydrophobicContact CD2-CB 4.16Å
45	P	94.4	Very high	93.7	Very high	45 Å²	45	42.5 Å²	42.5	29%	0.292	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	137.9	178.3	29.2	-33.6	0	0	0	110.2	L27 I33	L27-P45 VanDerWaalsContact CD1-O 3.27Å; L27-P45 WeakPolarHBondContact CD1-O 3.37Å; I33-P45 HydrophobicContact CD1-CB 4.13Å; I33-P45 HydrophobicContact CG1-CB 4.16Å; I33-P45 HydrophobicContact CG2-CB 3.77Å
46	C	95.8	Very high	93.8	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	165.9	-177.1	-67.6	0	0	0	0	111.9	C35 L51 V88	C35-C46 PolarHBondContact N-O 3.1Å; C35-C46 PolarHBondContact O-N 3.48Å; C35-C46 PolarHBondContact SG-O 3.4Å; C46-L51 HydrophobicContact CB-CD1 3.8Å; C46-L51 HydrophobicContact CB-CG 4.25Å; C46-V88 VanDerWaalsContact SG-CG1 3.59Å
47	H	95.5	Very high	93.8	Very high	16 Å²	16	47 Å²	47	7%	0.074	27%	0.268	C	S	.	.			trans	-103.6	123.5	171	-54.4	88.2	0	0	0	110.5	K31 F32 D34 L49 I50 L51 Y92	K31-H47 PolarHBondContact O-NE2 2.88Å; F32-H47 PolarHBondContact O-CD2 3.24Å; F32-H47 VanDerWaalsContact O-CD2 3.26Å; D34-H47 VanDerWaalsContact OD1-CA 3.24Å; D34-H47 WeakPolarHBondContact OD1-CA 2.94Å; H47-L49 PolarHBondContact O-N 2.91Å; H47-I50 HydrophobicContact CB-CB 4.39Å; H47-I50 HydrophobicContact CB-CG1 4.02Å; H47-I50 PolarHBondContact O-N 3.25Å; H47-I50 VanDerWaalsContact O-N 3.1Å; H47-L51 PolarHBondContact O-N 3.08Å; H47-L51 VanDerWaalsContact O-N 3.13Å; H47-Y92 VanDerWaalsContact CB-OH 3.23Å; H47-Y92 WeakPolarHBondContact CB-OH 3.01Å; H47-Y92 PolarHBondContact N-OH 2.96Å; H47-Y92 AromaticContact ND1-CE1 3.43Å; H47-Y92 WeakPolarHBondContact ND1-CE1 3.1Å; H47-Y92 AromaticContact ND1-CZ 3.5Å; H47-Y92 PolarHBondContact ND1-OH 2.9Å
48	R	93.9	Very high	93.8	Very high	45 Å²	45	47.1 Å²	47.1	17%	0.17	27%	0.268	C	S	.	.	H	α-helix	trans	-56.8	-37.3	-179.4	-65.5	175.2	71.6	-173.3	-4	111.8	D34 C35 S52 F62 E68	D34-R48 WeakPolarHBondContact OD1-CG 3.43Å; D34-R48 PolarHBondContact OD1-N 3.34Å; C35-R48 HydrophobicContact CB-CG 3.48Å; C35-R48 VanDerWaalsContact CB-CG 3.48Å; C35-R48 WeakPolarHBondContact SG-CG 3.31Å; R48-S52 VanDerWaalsContact O-CB 3.24Å; R48-S52 WeakPolarHBondContact O-CB 3.45Å; R48-S52 PolarHBondContact O-N 3.27Å; R48-S52 PolarHBondContact O-OG 3.13Å; R48-F62 HydrophobicContact CB-CD2 4.36Å; R48-F62 HydrophobicContact CB-CE2 4.29Å; R48-F62 HydrophobicContact CB-CZ 4.48Å; R48-F62 HydrophobicContact CG-CD1 4.32Å; R48-F62 HydrophobicContact CG-CE1 3.99Å; R48-F62 HydrophobicContact CG-CE2 4.27Å; R48-F62 HydrophobicContact CG-CZ 3.97Å; R48-F62 VanDerWaalsContact NE-CD1 3.34Å; R48-E68 IonicContact NH1-OE2 3.32Å; R48-E68 PolarHBondContact NH1-OE2 2.95Å
49	L	93.3	Very high	93.9	Very high	135 Å²	135	49.1 Å²	49.1	71%	0.707	27%	0.274	S	S	*	.	H	α-helix	trans	-60.3	-46	178.5	-175.1	69.7	0	0	0	111.8	H47 S52 A53	H47-L49 PolarHBondContact O-N 2.91Å; L49-S52 PolarHBondContact O-N 2.85Å; L49-A53 VanDerWaalsContact O-CB 3.27Å; L49-A53 WeakPolarHBondContact O-CB 3.41Å; L49-A53 PolarHBondContact O-N 3.31Å
50	I	94.4	Very high	93.9	Very high	19 Å²	19	55.1 Å²	55.1	10%	0.097	30%	0.302	C	S	.	.	H	α-helix	trans	-70.2	-46.4	-178.2	-58.2	-55.1	0	0	0	110.5	L23 H47 S52 A53 C54 L91 Y92	L23-I50 HydrophobicContact CD1-CD1 3.62Å; L23-I50 HydrophobicContact CD2-CD1 4.01Å; L23-I50 HydrophobicContact CD2-CG1 4.47Å; L23-I50 HydrophobicContact CG-CD1 4.4Å; H47-I50 HydrophobicContact CB-CB 4.39Å; H47-I50 HydrophobicContact CB-CG1 4.02Å; H47-I50 PolarHBondContact O-N 3.25Å; H47-I50 VanDerWaalsContact O-N 3.1Å; I50-S52 VanDerWaalsContact C-N 3.3Å; I50-S52 PolarHBondContact O-N 3.26Å; I50-A53 PolarHBondContact O-N 3.31Å; I50-A53 VanDerWaalsContact O-N 3.15Å; I50-C54 PolarHBondContact O-N 3.2Å; I50-C54 PolarHBondContact O-SG 3.32Å; I50-L91 HydrophobicContact CG2-CB 4.29Å; I50-Y92 HydrophobicContact CB-CE1 4.2Å; I50-Y92 HydrophobicContact CB-CE2 4.48Å; I50-Y92 HydrophobicContact CG1-CE1 3.81Å; I50-Y92 HydrophobicContact CG2-CD2 4.45Å; I50-Y92 HydrophobicContact CG2-CE1 4.09Å; I50-Y92 HydrophobicContact CG2-CE2 3.99Å
51	L	94.9	Very high	94.2	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-56.1	-46.5	174.6	-67.1	179.8	0	0	0	111.1	L37 C46 H47 A53 C54 S55 F58 F62 L91	L37-L51 HydrophobicContact CD1-CD1 4.16Å; L37-L51 HydrophobicContact CD1-CD2 4.31Å; L37-L51 HydrophobicContact CD2-CD1 4.01Å; L37-L51 HydrophobicContact CG-CD1 4.21Å; C46-L51 HydrophobicContact CB-CD1 3.8Å; C46-L51 HydrophobicContact CB-CG 4.25Å; H47-L51 PolarHBondContact O-N 3.08Å; H47-L51 VanDerWaalsContact O-N 3.13Å; L51-A53 PolarHBondContact O-N 3.25Å; L51-C54 PolarHBondContact O-N 3.48Å; L51-S55 VanDerWaalsContact O-CB 3.3Å; L51-S55 WeakPolarHBondContact O-CB 3.47Å; L51-S55 PolarHBondContact O-N 2.75Å; L51-F58 HydrophobicContact CB-CB 3.97Å; L51-F58 HydrophobicContact CB-CD2 4.23Å; L51-F58 HydrophobicContact CB-CG 4.15Å; L51-F58 HydrophobicContact CD2-CD2 4.25Å; L51-F58 HydrophobicContact CD2-CE2 4.39Å; L51-F62 HydrophobicContact CB-CE2 4.05Å; L51-F62 HydrophobicContact CD1-CE2 4.02Å; L51-F62 HydrophobicContact CD1-CZ 4.17Å; L51-L91 HydrophobicContact CD2-CD1 3.66Å
52	S	94.9	Very high	94.5	Very high	21 Å²	21	47 Å²	47	15%	0.147	24%	0.242	C	C	.	.	H	α-helix	trans	-68.6	-32.2	178.8	-56	0	0	0	0	113.1	R48 L49 I50 R59 F62	R48-S52 VanDerWaalsContact O-CB 3.24Å; R48-S52 WeakPolarHBondContact O-CB 3.45Å; R48-S52 PolarHBondContact O-N 3.27Å; R48-S52 PolarHBondContact O-OG 3.13Å; L49-S52 PolarHBondContact O-N 2.85Å; I50-S52 VanDerWaalsContact C-N 3.3Å; I50-S52 PolarHBondContact O-N 3.26Å; S52-R59 VanDerWaalsContact O-CZ 3.29Å; S52-R59 PolarHBondContact O-NE 3.4Å; S52-R59 PolarHBondContact O-NH2 2.7Å; S52-F62 WeakPolarHBondContact OG-CD2 3.35Å
53	A	94.2	Very high	94.4	Very high	60 Å²	60	48.7 Å²	48.7	50%	0.496	26%	0.257	S	S	.	.	H	α-helix	trans	-68.5	-42.8	177.8	0	0	0	0	0	111	L49 I50 L51 R59	L49-A53 VanDerWaalsContact O-CB 3.27Å; L49-A53 WeakPolarHBondContact O-CB 3.41Å; L49-A53 PolarHBondContact O-N 3.31Å; I50-A53 PolarHBondContact O-N 3.31Å; I50-A53 VanDerWaalsContact O-N 3.15Å; L51-A53 PolarHBondContact O-N 3.25Å; A53-R59 PolarHBondContact O-NH2 3.38Å; A53-R59 VanDerWaalsContact O-NH2 3.08Å
54	C	94.2	Very high	94.2	Very high	47 Å²	47	49.7 Å²	49.7	32%	0.318	26%	0.26	S	S	.	.	H	α-helix	trans	-94.6	-16.7	-171.9	-59.4	0	0	0	0	114.9	I50 L51 L91	I50-C54 PolarHBondContact O-N 3.2Å; I50-C54 PolarHBondContact O-SG 3.32Å; L51-C54 PolarHBondContact O-N 3.48Å; C54-L91 HydrophobicContact CB-CD1 4.45Å; C54-L91 HydrophobicContact CB-CD2 3.58Å
55	S	96.6	Very high	93.8	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.268	C	S	.	.			trans	-131.7	116.7	-178.6	165.1	0	0	0	0	110.9	L51 Y57 F58 R59 F113	L51-S55 VanDerWaalsContact O-CB 3.3Å; L51-S55 WeakPolarHBondContact O-CB 3.47Å; L51-S55 PolarHBondContact O-N 2.75Å; S55-Y57 VanDerWaalsContact C-N 3.26Å; S55-Y57 PolarHBondContact O-N 2.94Å; S55-Y57 PolarHBondContact OG-N 2.75Å; S55-F58 PolarHBondContact O-N 3.49Å; S55-F58 VanDerWaalsContact OG-CD2 3.31Å; S55-F58 WeakPolarHBondContact OG-CD2 3.43Å; S55-F58 PolarHBondContact OG-N 2.72Å; S55-F58 VanDerWaalsContact OG-N 3.08Å; S55-R59 WeakPolarHBondContact O-CB 3.27Å; S55-R59 PolarHBondContact O-N 2.87Å; S55-F113 WeakPolarHBondContact CB-O 3.31Å; S55-F113 PolarHBondContact OG-O 3Å
56	P	96.3	Very high	93.1	Very high	53 Å²	53	57 Å²	57	34%	0.344	29%	0.29	S	S	.	.	H	α-helix	trans	-61.9	-33.3	171.7	-20.8	34.5	0	0	0	112.7	R59 E60 Q114	P56-R59 WeakPolarHBondContact O-CB 3.19Å; P56-R59 PolarHBondContact O-N 3.17Å; P56-E60 WeakPolarHBondContact O-CB 3.29Å; P56-E60 PolarHBondContact O-N 2.96Å; P56-Q114 WeakPolarHBondContact CD-O 3.49Å
57	Y	95.4	Very high	92.6	Very high	71 Å²	71	60 Å²	60	28%	0.278	31%	0.307	S	S	.	.	H	α-helix	trans	-57.4	-53.7	173.5	171.1	-92.1	0	0	0	111.7	S55 R59 E60 Y61 F113	S55-Y57 VanDerWaalsContact C-N 3.26Å; S55-Y57 PolarHBondContact O-N 2.94Å; S55-Y57 PolarHBondContact OG-N 2.75Å; Y57-R59 VanDerWaalsContact C-N 3.3Å; Y57-R59 PolarHBondContact O-N 3.28Å; Y57-E60 PolarHBondContact O-N 3.39Å; Y57-Y61 WeakPolarHBondContact O-CB 3.41Å; Y57-Y61 PolarHBondContact O-N 2.88Å; Y57-F113 WeakPolarHBondContact CB-O 3.37Å; Y57-F113 HydrophobicContact CD1-CB 4.45Å; Y57-F113 AromaticContact CD1-CD1 3.72Å; Y57-F113 HydrophobicContact CD1-CD1 3.72Å; Y57-F113 AromaticContact CE1-CD1 3.66Å; Y57-F113 HydrophobicContact CE1-CD1 3.66Å; Y57-F113 HydrophobicContact CE1-CE1 4.04Å; Y57-F113 HydrophobicContact CG-CD1 4.38Å
58	F	95.3	Very high	92	Very high	3 Å²	3	64 Å²	64	1%	0.013	33%	0.325	C	S	.	.	H	α-helix	trans	-67.6	-34.5	180	-73.6	-59.2	0	0	0	111.6	L37 L51 S55 Y61 F62 F113	L37-F58 HydrophobicContact CD1-CZ 4.09Å; L37-F58 HydrophobicContact CD2-CE1 3.9Å; L37-F58 HydrophobicContact CD2-CZ 4.24Å; L51-F58 HydrophobicContact CB-CB 3.97Å; L51-F58 HydrophobicContact CB-CD2 4.23Å; L51-F58 HydrophobicContact CB-CG 4.15Å; L51-F58 HydrophobicContact CD2-CD2 4.25Å; L51-F58 HydrophobicContact CD2-CE2 4.39Å; S55-F58 PolarHBondContact O-N 3.49Å; S55-F58 VanDerWaalsContact OG-CD2 3.31Å; S55-F58 WeakPolarHBondContact OG-CD2 3.43Å; S55-F58 PolarHBondContact OG-N 2.72Å; S55-F58 VanDerWaalsContact OG-N 3.08Å; F58-Y61 PolarHBondContact O-N 2.77Å; F58-F62 HydrophobicContact CB-CD2 4.2Å; F58-F62 HydrophobicContact CB-CE2 4Å; F58-F62 HydrophobicContact CD1-CE2 4.32Å; F58-F62 HydrophobicContact CG-CE2 4.48Å; F58-F62 WeakPolarHBondContact O-CB 3.43Å; F58-F62 WeakPolarHBondContact O-CD2 3.47Å; F58-F62 WeakPolarHBondContact O-CG 3.4Å; F58-F62 PolarHBondContact O-N 3.47Å; F58-F113 HydrophobicContact CE2-CB 4.03Å; F58-F113 HydrophobicContact CE2-CD1 4.38Å; F58-F113 HydrophobicContact CE2-CG 4.11Å; F58-F113 HydrophobicContact CZ-CD1 4.03Å; F58-F113 HydrophobicContact CZ-CE1 4.39Å; F58-F113 HydrophobicContact CZ-CG 4.12Å
59	R	94.9	Very high	91.3	Very high	111 Å²	111	69.1 Å²	69.1	42%	0.419	35%	0.351	S	S	.	.	H	α-helix	trans	-57.6	-50.8	173	-172.9	-177	-59.5	171.3	4.1	111.4	S52 A53 S55 P56 Y57 F62 L63	S52-R59 VanDerWaalsContact O-CZ 3.29Å; S52-R59 PolarHBondContact O-NE 3.4Å; S52-R59 PolarHBondContact O-NH2 2.7Å; A53-R59 PolarHBondContact O-NH2 3.38Å; A53-R59 VanDerWaalsContact O-NH2 3.08Å; S55-R59 WeakPolarHBondContact O-CB 3.27Å; S55-R59 PolarHBondContact O-N 2.87Å; P56-R59 WeakPolarHBondContact O-CB 3.19Å; P56-R59 PolarHBondContact O-N 3.17Å; Y57-R59 VanDerWaalsContact C-N 3.3Å; Y57-R59 PolarHBondContact O-N 3.28Å; R59-F62 PolarHBondContact O-N 3.19Å; R59-L63 HydrophobicContact CG-CD1 3.9Å; R59-L63 WeakPolarHBondContact O-CB 3.46Å; R59-L63 WeakPolarHBondContact O-CG 3.45Å; R59-L63 PolarHBondContact O-N 3.02Å; R59-L63 VanDerWaalsContact O-N 3.09Å
60	E	94.4	Very high	90.7	Very high	125 Å²	125	67.9 Å²	67.9	58%	0.584	34%	0.34	S	S	*	.	H	α-helix	trans	-64.4	-45	178.8	-172.9	174	-177.9	0	0	111.2	P56 Y57 F62 L63 T64	P56-E60 WeakPolarHBondContact O-CB 3.29Å; P56-E60 PolarHBondContact O-N 2.96Å; Y57-E60 PolarHBondContact O-N 3.39Å; E60-F62 PolarHBondContact O-N 3.44Å; E60-L63 PolarHBondContact O-N 2.84Å; E60-T64 HydrophobicContact CG-CG2 4.08Å; E60-T64 WeakPolarHBondContact O-CB 3.29Å; E60-T64 WeakPolarHBondContact O-CG2 3.45Å; E60-T64 PolarHBondContact O-N 3.03Å; E60-T64 PolarHBondContact O-OG1 3.05Å
61	Y	93.1	Very high	90	Very high	52 Å²	52	68 Å²	68	20%	0.204	34%	0.34	C	S	.	.	H	α-helix	trans	-54.8	-50.5	176.2	-179.9	-88.4	0	0	0	111.8	Y57 F58 L63 T64 E65 K70 V74	Y57-Y61 WeakPolarHBondContact O-CB 3.41Å; Y57-Y61 PolarHBondContact O-N 2.88Å; F58-Y61 PolarHBondContact O-N 2.77Å; Y61-L63 VanDerWaalsContact C-N 3.35Å; Y61-L63 PolarHBondContact O-N 3.38Å; Y61-T64 PolarHBondContact O-OG1 3.46Å; Y61-E65 VanDerWaalsContact O-CB 3.25Å; Y61-E65 WeakPolarHBondContact O-CB 3.24Å; Y61-E65 PolarHBondContact O-N 3.06Å; Y61-K70 PolarHBondContact OH-O 3.31Å; Y61-K70 VanDerWaalsContact OH-O 3.08Å; Y61-V74 HydrophobicContact CD1-CG2 4.37Å; Y61-V74 HydrophobicContact CE1-CB 4.34Å; Y61-V74 HydrophobicContact CE1-CG1 3.88Å; Y61-V74 HydrophobicContact CE1-CG2 3.59Å; Y61-V74 HydrophobicContact CE2-CG1 4.38Å
62	F	93.1	Very high	89.6	Confident	10 Å²	10	74.4 Å²	74.4	4%	0.044	37%	0.368	C	S	.	.	H	α-helix	trans	-73.3	-24.1	-177.1	-70.8	-53.1	0	0	0	114.2	C35 R48 L51 S52 F58 R59 E60 K71 V74	C35-F62 HydrophobicContact CB-CE1 4.49Å; C35-F62 HydrophobicContact CB-CZ 4.36Å; R48-F62 HydrophobicContact CB-CD2 4.36Å; R48-F62 HydrophobicContact CB-CE2 4.29Å; R48-F62 HydrophobicContact CB-CZ 4.48Å; R48-F62 HydrophobicContact CG-CD1 4.32Å; R48-F62 HydrophobicContact CG-CE1 3.99Å; R48-F62 HydrophobicContact CG-CE2 4.27Å; R48-F62 HydrophobicContact CG-CZ 3.97Å; R48-F62 VanDerWaalsContact NE-CD1 3.34Å; L51-F62 HydrophobicContact CB-CE2 4.05Å; L51-F62 HydrophobicContact CD1-CE2 4.02Å; L51-F62 HydrophobicContact CD1-CZ 4.17Å; S52-F62 WeakPolarHBondContact OG-CD2 3.35Å; F58-F62 HydrophobicContact CB-CD2 4.2Å; F58-F62 HydrophobicContact CB-CE2 4Å; F58-F62 HydrophobicContact CD1-CE2 4.32Å; F58-F62 HydrophobicContact CG-CE2 4.48Å; F58-F62 WeakPolarHBondContact O-CB 3.43Å; F58-F62 WeakPolarHBondContact O-CD2 3.47Å; F58-F62 WeakPolarHBondContact O-CG 3.4Å; F58-F62 PolarHBondContact O-N 3.47Å; R59-F62 PolarHBondContact O-N 3.19Å; E60-F62 PolarHBondContact O-N 3.44Å; F62-K71 HydrophobicContact CD1-CB 4.5Å; F62-K71 HydrophobicContact CD1-CG 4.32Å; F62-K71 WeakPolarHBondContact O-CE 3.41Å; F62-V74 HydrophobicContact CE1-CG2 3.77Å; F62-V74 HydrophobicContact CZ-CG2 3.99Å
63	L	90.3	Very high	89.5	Confident	132 Å²	132	77.3 Å²	77.3	69%	0.691	38%	0.379	S	S	*	.	H	α-helix	trans	-82.6	-33.1	176.3	-72.1	174.4	0	0	0	112.8	R59 E60 Y61	R59-L63 HydrophobicContact CG-CD1 3.9Å; R59-L63 WeakPolarHBondContact O-CB 3.46Å; R59-L63 WeakPolarHBondContact O-CG 3.45Å; R59-L63 PolarHBondContact O-N 3.02Å; R59-L63 VanDerWaalsContact O-N 3.09Å; E60-L63 PolarHBondContact O-N 2.84Å; Y61-L63 VanDerWaalsContact C-N 3.35Å; Y61-L63 PolarHBondContact O-N 3.38Å
64	T	89.4	Confident	89.4	Confident	87 Å²	87	74.5 Å²	74.5	53%	0.534	36%	0.356	S	S	.	.	H	α-helix	trans	-88	-35.2	-176.6	54.3	0	0	0	0	112.9	E60 Y61 Q66	E60-T64 HydrophobicContact CG-CG2 4.08Å; E60-T64 WeakPolarHBondContact O-CB 3.29Å; E60-T64 WeakPolarHBondContact O-CG2 3.45Å; E60-T64 PolarHBondContact O-N 3.03Å; E60-T64 PolarHBondContact O-OG1 3.05Å; Y61-T64 PolarHBondContact O-OG1 3.46Å; T64-Q66 PolarHBondContact O-N 3.36Å
65	E	86.6	Confident	89.2	Confident	43 Å²	43	76.3 Å²	76.3	20%	0.201	37%	0.365	C	S	.	.			trans	-64	132.4	179.6	-175.7	53	-93.9	0	0	110.4	Y61 N67 K70 K71	Y61-E65 VanDerWaalsContact O-CB 3.25Å; Y61-E65 WeakPolarHBondContact O-CB 3.24Å; Y61-E65 PolarHBondContact O-N 3.06Å; E65-N67 WeakPolarHBondContact OE1-CB 3.49Å; E65-N67 PolarHBondContact OE1-N 2.99Å; E65-K70 HydrophobicContact CG-CB 3.99Å; E65-K70 VanDerWaalsContact OE2-CD 3.28Å; E65-K70 WeakPolarHBondContact OE2-CD 3.15Å; E65-K71 HydrophobicContact CB-CG 4.22Å; E65-K71 HydrophobicContact CG-CG 4.01Å; E65-K71 WeakPolarHBondContact O-CE 3.25Å; E65-K71 PolarHBondContact O-NZ 3.16Å
66	Q	79.7	Confident	89.1	Confident	165 Å²	165	76.5 Å²	76.5	77%	0.771	37%	0.366	S	S	*	.			trans	-101.1	-19.7	-179.3	-65.5	-72.4	-31.9	0	0	111.2	T64	T64-Q66 PolarHBondContact O-N 3.36Å
67	N	84.1	Confident	88.7	Confident	65 Å²	65	79.2 Å²	79.2	35%	0.348	38%	0.378	S	S	.	.			trans	-85.2	114	179.7	-173.3	-23	0	0	0	111.8	E65 E69 K70 K71	E65-N67 WeakPolarHBondContact OE1-CB 3.49Å; E65-N67 PolarHBondContact OE1-N 2.99Å; N67-E69 VanDerWaalsContact C-N 3.31Å; N67-E69 PolarHBondContact O-N 3.26Å; N67-E69 WeakPolarHBondContact OD1-CB 3.46Å; N67-E69 PolarHBondContact OD1-N 3.46Å; N67-K70 HydrophobicContact CB-CB 4.16Å; N67-K70 HydrophobicContact CB-CD 4.11Å; N67-K70 HydrophobicContact CB-CG 4.07Å; N67-K70 PolarHBondContact O-N 3.05Å; N67-K71 WeakPolarHBondContact O-CG 3.47Å; N67-K71 PolarHBondContact O-N 3.34Å
68	E	83.8	Confident	88.3	Confident	99 Å²	99	83.8 Å²	83.8	46%	0.463	41%	0.407	S	S	.	.	H	α-helix	trans	-65.8	-24.7	178.4	-73.1	-58.4	137.6	0	0	114.4	R48 K71 K72	R48-E68 IonicContact NH1-OE2 3.32Å; R48-E68 PolarHBondContact NH1-OE2 2.95Å; E68-K71 PolarHBondContact O-N 3.21Å; E68-K71 WeakPolarHBondContact OE1-CD 3.44Å; E68-K71 IonicContact OE1-NZ 2.56Å; E68-K71 PolarHBondContact OE1-NZ 3.28Å; E68-K72 WeakPolarHBondContact O-CG 3.08Å; E68-K72 PolarHBondContact O-N 3.05Å
69	E	79.4	Confident	88.1	Confident	153 Å²	153	84.2 Å²	84.2	72%	0.715	41%	0.41	S	S	*	.	H	α-helix	trans	-70.7	-41.7	173.8	-65.3	-173.4	158.6	0	0	111.3	N67 K71 K72 E73	N67-E69 VanDerWaalsContact C-N 3.31Å; N67-E69 PolarHBondContact O-N 3.26Å; N67-E69 WeakPolarHBondContact OD1-CB 3.46Å; N67-E69 PolarHBondContact OD1-N 3.46Å; E69-K71 PolarHBondContact O-N 2.98Å; E69-K72 PolarHBondContact O-N 3.09Å; E69-K72 VanDerWaalsContact O-N 3.09Å; E69-E73 PolarHBondContact O-N 2.78Å; E69-E73 VanDerWaalsContact O-N 3.08Å
70	K	79.2	Confident	88	Confident	109 Å²	109	82.7 Å²	82.7	47%	0.474	41%	0.41	S	S	.	.	H	α-helix	trans	-69	-18.8	175.6	-68.2	-172.3	175.8	-174.4	0	113.8	Y61 E65 N67	Y61-K70 PolarHBondContact OH-O 3.31Å; Y61-K70 VanDerWaalsContact OH-O 3.08Å; E65-K70 HydrophobicContact CG-CB 3.99Å; E65-K70 VanDerWaalsContact OE2-CD 3.28Å; E65-K70 WeakPolarHBondContact OE2-CD 3.15Å; N67-K70 HydrophobicContact CB-CB 4.16Å; N67-K70 HydrophobicContact CB-CD 4.11Å; N67-K70 HydrophobicContact CB-CG 4.07Å; N67-K70 PolarHBondContact O-N 3.05Å
71	K	81.1	Confident	87.9	Confident	21 Å²	21	78 Å²	78	9%	0.091	39%	0.391	C	S	.	.	H	α-helix	trans	-81.7	-28.6	171.8	-74.3	165.5	156.3	172.8	0	112.5	C35 F62 E65 N67 E68 E69	C35-K71 VanDerWaalsContact CB-O 3.3Å; C35-K71 WeakPolarHBondContact CB-O 3.14Å; F62-K71 HydrophobicContact CD1-CB 4.5Å; F62-K71 HydrophobicContact CD1-CG 4.32Å; F62-K71 WeakPolarHBondContact O-CE 3.41Å; E65-K71 HydrophobicContact CB-CG 4.22Å; E65-K71 HydrophobicContact CG-CG 4.01Å; E65-K71 WeakPolarHBondContact O-CE 3.25Å; E65-K71 PolarHBondContact O-NZ 3.16Å; N67-K71 WeakPolarHBondContact O-CG 3.47Å; N67-K71 PolarHBondContact O-N 3.34Å; E68-K71 PolarHBondContact O-N 3.21Å; E68-K71 WeakPolarHBondContact OE1-CD 3.44Å; E68-K71 IonicContact OE1-NZ 2.56Å; E68-K71 PolarHBondContact OE1-NZ 3.28Å; E69-K71 PolarHBondContact O-N 2.98Å
72	K	86.6	Confident	87.9	Confident	135 Å²	135	80 Å²	80	59%	0.587	41%	0.405	S	S	*	.	H	α-helix	trans	-79.4	-37.2	177	-75.8	178.8	-179.3	-178.4	0	112.6	C35 S36 E68 E69	C35-K72 CarbonylContact C-O 3.21Å; C35-K72 WeakPolarHBondContact CA-O 3.23Å; S36-K72 PolarHBondContact N-O 3.28Å; S36-K72 PolarHBondContact OG-O 3.27Å; E68-K72 WeakPolarHBondContact O-CG 3.08Å; E68-K72 PolarHBondContact O-N 3.05Å; E69-K72 PolarHBondContact O-N 3.09Å; E69-K72 VanDerWaalsContact O-N 3.09Å
73	E	91.3	Very high	88	Confident	83 Å²	83	80 Å²	80	39%	0.388	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	104.8	175.2	-168.2	-179.2	-152	0	0	109.4	K38 E69	K38-E73 HydrophobicContact CB-CG 4.27Å; K38-E73 HydrophobicContact CD-CG 4.47Å; K38-E73 WeakPolarHBondContact CD-OE1 3.34Å; K38-E73 IonicContact NZ-OE1 2.72Å; K38-E73 PolarHBondContact NZ-OE1 2.78Å; K38-E73 IonicContact NZ-OE2 3.66Å; E69-E73 PolarHBondContact O-N 2.78Å; E69-E73 VanDerWaalsContact O-N 3.08Å
74	V	92.3	Very high	88.2	Confident	1 Å²	1	73.8 Å²	73.8	1%	0.006	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	111.8	178.5	-176.2	0	0	0	0	108.4	S36 L37 K38 Y61 F62 L76	S36-V74 PolarHBondContact O-N 3Å; L37-V74 HydrophobicContact CD2-CB 3.79Å; L37-V74 HydrophobicContact CD2-CG1 4.22Å; L37-V74 HydrophobicContact CD2-CG2 4.22Å; K38-V74 PolarHBondContact N-O 3.09Å; Y61-V74 HydrophobicContact CD1-CG2 4.37Å; Y61-V74 HydrophobicContact CE1-CB 4.34Å; Y61-V74 HydrophobicContact CE1-CG1 3.88Å; Y61-V74 HydrophobicContact CE1-CG2 3.59Å; Y61-V74 HydrophobicContact CE2-CG1 4.38Å; F62-V74 HydrophobicContact CE1-CG2 3.77Å; F62-V74 HydrophobicContact CZ-CG2 3.99Å; V74-L76 HydrophobicContact CG1-CD2 4.05Å
75	V	91.4	Very high	88.5	Confident	84 Å²	84	71 Å²	71	51%	0.509	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	125.3	179.8	-173.9	0	0	0	0	109.9	K38	K38-V75 HydrophobicContact CB-CG2 4.41Å; K38-V75 HydrophobicContact CD-CG2 4.05Å
76	L	92.9	Very high	88.8	Confident	5 Å²	5	71.4 Å²	71.4	3%	0.026	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	110.8	-178.1	-60	176.5	0	0	0	109.8	L37 K38 V74 V79 L84 F113	L37-L76 HydrophobicContact CB-CD1 4.21Å; L37-L76 HydrophobicContact CD1-CD1 4.44Å; L37-L76 HydrophobicContact CD2-CD1 4.46Å; K38-L76 PolarHBondContact O-N 3.2Å; V74-L76 HydrophobicContact CG1-CD2 4.05Å; L76-V79 HydrophobicContact CB-CB 4.38Å; L76-V79 HydrophobicContact CB-CG2 3.94Å; L76-L84 HydrophobicContact CD1-CD1 4.15Å; L76-L84 HydrophobicContact CD1-CD2 3.67Å; L76-F113 HydrophobicContact CD1-CE1 4.42Å; L76-F113 HydrophobicContact CD1-CE2 4.35Å; L76-F113 HydrophobicContact CD1-CZ 3.82Å; L76-F113 HydrophobicContact CD2-CE1 3.84Å; L76-F113 HydrophobicContact CD2-CZ 3.95Å; L76-F113 HydrophobicContact CG-CZ 4.34Å
77	D	88.4	Confident	89.6	Confident	110 Å²	110	63.7 Å²	63.7	59%	0.588	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	140.5	-179.7	-58.5	-49.1	0	0	0	112	R112	D77-R112 PolarHBondContact O-NH1 3.43Å; D77-R112 PolarHBondContact O-NH2 3.06Å
78	N	87.3	Confident	90.1	Very high	166 Å²	166	60.8 Å²	60.8	89%	0.888	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	51.1	176.8	-57.6	-35.6	0	0	0	113
79	V	91.9	Very high	90.5	Very high	13 Å²	13	61.4 Å²	61.4	8%	0.079	31%	0.307	C	S	.	.			trans	-123.4	130.3	177.2	176.3	0	0	0	0	109	A39 L76 P81 L84 L109 F113	A39-V79 HydrophobicContact CB-CB 4.14Å; A39-V79 HydrophobicContact CB-CG1 4.19Å; L76-V79 HydrophobicContact CB-CB 4.38Å; L76-V79 HydrophobicContact CB-CG2 3.94Å; V79-P81 WeakPolarHBondContact O-CD 3.15Å; V79-L84 HydrophobicContact CG1-CB 3.83Å; V79-L84 HydrophobicContact CG1-CD1 4.47Å; V79-L84 HydrophobicContact CG1-CD2 4.14Å; V79-L84 HydrophobicContact CG1-CG 4.37Å; V79-L109 HydrophobicContact CB-CD2 4.47Å; V79-L109 HydrophobicContact CG1-CD1 3.71Å; V79-L109 HydrophobicContact CG1-CD2 3.98Å; V79-L109 HydrophobicContact CG2-CD2 3.98Å; V79-F113 HydrophobicContact CG2-CE2 4.44Å; V79-F113 HydrophobicContact CG2-CZ 4Å
80	D	91.6	Very high	91.2	Very high	78 Å²	78	55.5 Å²	55.5	42%	0.417	28%	0.279	S	S	.	.			trans	-67.6	121.1	170.3	-172.6	-56.5	0	0	0	109.5	D82 V83 L84	D80-D82 VanDerWaalsContact C-N 3.31Å; D80-D82 PolarHBondContact O-N 3Å; D80-D82 WeakPolarHBondContact OD1-CA 3.3Å; D80-D82 WeakPolarHBondContact OD1-CB 3.44Å; D80-D82 PolarHBondContact OD1-N 2.8Å; D80-V83 HydrophobicContact CB-CB 4.09Å; D80-V83 HydrophobicContact CB-CG2 3.77Å; D80-V83 PolarHBondContact O-N 3.45Å; D80-V83 PolarHBondContact OD1-N 3.04Å; D80-L84 WeakPolarHBondContact O-CB 3.42Å; D80-L84 PolarHBondContact O-N 3.25Å
81	P	93.3	Very high	91.9	Very high	28 Å²	28	51.4 Å²	51.4	18%	0.182	26%	0.262	C	S	.	.	H	α-helix	trans	-63.7	-30.9	-177.8	-23.7	35	0	0	0	114.8	A39 R42 V79 D85	A39-P81 HydrophobicContact CB-CB 4.38Å; A39-P81 HydrophobicContact CB-CG 4.18Å; A39-P81 WeakPolarHBondContact O-CG 3.5Å; R42-P81 HydrophobicContact CB-CB 3.92Å; R42-P81 HydrophobicContact CB-CG 4.37Å; R42-P81 HydrophobicContact CG-CB 4.23Å; V79-P81 WeakPolarHBondContact O-CD 3.15Å; P81-D85 VanDerWaalsContact O-CB 3.31Å; P81-D85 WeakPolarHBondContact O-CB 3.4Å; P81-D85 PolarHBondContact O-N 3.14Å
82	D	93.1	Very high	92.5	Very high	93 Å²	93	50.6 Å²	50.6	50%	0.497	26%	0.258	S	S	.	.	H	α-helix	trans	-73.4	-43	-179.5	-70.8	-47.4	0	0	0	110.4	R42 D80 L84 D85 M86	R42-D82 IonicContact CZ-OD1 3.6Å; R42-D82 IonicContact NH1-OD1 2.96Å; R42-D82 PolarHBondContact NH1-OD1 3.34Å; D80-D82 VanDerWaalsContact C-N 3.31Å; D80-D82 PolarHBondContact O-N 3Å; D80-D82 WeakPolarHBondContact OD1-CA 3.3Å; D80-D82 WeakPolarHBondContact OD1-CB 3.44Å; D80-D82 PolarHBondContact OD1-N 2.8Å; D82-L84 VanDerWaalsContact C-N 3.33Å; D82-L84 PolarHBondContact O-N 2.87Å; D82-D85 PolarHBondContact O-N 3.45Å; D82-M86 WeakPolarHBondContact O-CG 3.38Å; D82-M86 PolarHBondContact O-N 2.96Å
83	V	94.5	Very high	92.7	Very high	10 Å²	10	45.6 Å²	45.6	6%	0.061	24%	0.24	C	C	.	.	H	α-helix	trans	-63.4	-41.8	175.1	-175.3	0	0	0	0	110.7	D80 M86 I87 D105 I106 L109	D80-V83 HydrophobicContact CB-CB 4.09Å; D80-V83 HydrophobicContact CB-CG2 3.77Å; D80-V83 PolarHBondContact O-N 3.45Å; D80-V83 PolarHBondContact OD1-N 3.04Å; V83-M86 WeakPolarHBondContact O-CB 3.1Å; V83-M86 PolarHBondContact O-N 3.24Å; V83-I87 WeakPolarHBondContact O-CG1 3.31Å; V83-I87 PolarHBondContact O-N 3.46Å; V83-I87 VanDerWaalsContact O-N 3.07Å; V83-D105 HydrophobicContact CG1-CB 4.06Å; V83-D105 HydrophobicContact CG2-CB 3.9Å; V83-I106 HydrophobicContact CG1-CB 4.26Å; V83-I106 HydrophobicContact CG1-CG1 3.59Å; V83-L109 HydrophobicContact CB-CD1 3.97Å; V83-L109 HydrophobicContact CG1-CD1 3.58Å; V83-L109 HydrophobicContact CG1-CG 4.31Å
84	L	94.8	Very high	92.6	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-63.6	-42.9	175.6	-176.7	64.6	0	0	0	111.8	L37 A39 L44 L76 V79 D80 D82 M86 I87 V88 F113	L37-L84 HydrophobicContact CB-CD2 4.14Å; L37-L84 HydrophobicContact CD1-CD1 4.28Å; L37-L84 HydrophobicContact CD1-CD2 4.5Å; A39-L84 HydrophobicContact CB-CD2 3.8Å; L44-L84 HydrophobicContact CD1-CB 4.12Å; L44-L84 HydrophobicContact CD1-CD2 3.73Å; L44-L84 HydrophobicContact CD1-CG 3.71Å; L76-L84 HydrophobicContact CD1-CD1 4.15Å; L76-L84 HydrophobicContact CD1-CD2 3.67Å; V79-L84 HydrophobicContact CG1-CB 3.83Å; V79-L84 HydrophobicContact CG1-CD1 4.47Å; V79-L84 HydrophobicContact CG1-CD2 4.14Å; V79-L84 HydrophobicContact CG1-CG 4.37Å; D80-L84 WeakPolarHBondContact O-CB 3.42Å; D80-L84 PolarHBondContact O-N 3.25Å; D82-L84 VanDerWaalsContact C-N 3.33Å; D82-L84 PolarHBondContact O-N 2.87Å; L84-M86 VanDerWaalsContact C-N 3.32Å; L84-M86 PolarHBondContact O-N 3.01Å; L84-I87 PolarHBondContact O-N 2.68Å; L84-V88 HydrophobicContact CG-CG2 4.48Å; L84-V88 WeakPolarHBondContact O-CG2 3.48Å; L84-V88 PolarHBondContact O-N 3.38Å; L84-F113 HydrophobicContact CD1-CE2 4.07Å
85	D	94.4	Very high	92.6	Very high	30 Å²	30	48.1 Å²	48.1	16%	0.16	27%	0.271	C	S	.	.	H	α-helix	trans	-61.7	-39.8	176.4	-175.8	63	0	0	0	111.7	L44 P81 D82 V88 K89	L44-D85 HydrophobicContact CD1-CB 4.09Å; L44-D85 HydrophobicContact CD2-CB 4.16Å; P81-D85 VanDerWaalsContact O-CB 3.31Å; P81-D85 WeakPolarHBondContact O-CB 3.4Å; P81-D85 PolarHBondContact O-N 3.14Å; D82-D85 PolarHBondContact O-N 3.45Å; D85-V88 PolarHBondContact O-N 3.3Å; D85-K89 WeakPolarHBondContact O-CB 3.32Å; D85-K89 VanDerWaalsContact O-CG 3.31Å; D85-K89 WeakPolarHBondContact O-CG 3.49Å; D85-K89 PolarHBondContact O-N 3.23Å; D85-K89 WeakPolarHBondContact OD2-CE 3.37Å; D85-K89 IonicContact OD2-NZ 3.74Å; D85-K89 PolarHBondContact OD2-NZ 2.98Å
86	M	94.8	Very high	92.7	Very high	51 Å²	51	45.4 Å²	45.4	25%	0.251	25%	0.253	S	S	.	.	H	α-helix	trans	-59.9	-46.1	172.9	-71.5	-178.4	74.3	0	0	112.1	D82 V83 L84 K89 Y90 I96 D97 N102 I106	D82-M86 WeakPolarHBondContact O-CG 3.38Å; D82-M86 PolarHBondContact O-N 2.96Å; V83-M86 WeakPolarHBondContact O-CB 3.1Å; V83-M86 PolarHBondContact O-N 3.24Å; L84-M86 VanDerWaalsContact C-N 3.32Å; L84-M86 PolarHBondContact O-N 3.01Å; M86-K89 PolarHBondContact O-N 3.11Å; M86-Y90 WeakPolarHBondContact O-CB 3.32Å; M86-Y90 PolarHBondContact O-N 2.91Å; M86-I96 HydrophobicContact CE-CG1 4.32Å; M86-D97 VanDerWaalsContact CE-O 3.28Å; M86-D97 WeakPolarHBondContact CE-O 3.36Å; M86-N102 WeakPolarHBondContact CE-ND2 3.25Å; M86-I106 HydrophobicContact CE-CD1 3.93Å; M86-I106 HydrophobicContact SD-CD1 4.23Å
87	I	95.3	Very high	92.7	Very high	2 Å²	2	51 Å²	51	1%	0.01	28%	0.283	C	S	.	.	H	α-helix	trans	-63.7	-46	177.7	-71.1	175	0	0	0	110.6	V83 L84 Y90 L91 I106 L109 I115	V83-I87 WeakPolarHBondContact O-CG1 3.31Å; V83-I87 PolarHBondContact O-N 3.46Å; V83-I87 VanDerWaalsContact O-N 3.07Å; L84-I87 PolarHBondContact O-N 2.68Å; I87-Y90 WeakPolarHBondContact O-CB 3.35Å; I87-Y90 PolarHBondContact O-N 3.4Å; I87-L91 WeakPolarHBondContact O-CG 3.26Å; I87-L91 PolarHBondContact O-N 2.82Å; I87-I106 HydrophobicContact CD1-CG2 4.42Å; I87-I106 HydrophobicContact CG1-CG2 4.29Å; I87-L109 HydrophobicContact CD1-CB 3.5Å; I87-L109 HydrophobicContact CD1-CD1 4.1Å; I87-L109 HydrophobicContact CD1-CG 4.45Å; I87-I115 HydrophobicContact CG2-CD1 3.27Å
88	V	94	Very high	92.9	Very high	5 Å²	5	47.1 Å²	47.1	3%	0.03	26%	0.262	C	S	.	.	H	α-helix	trans	-59.2	-50.9	177.5	170.4	0	0	0	0	109.7	L37 C46 L84 D85 Y90 L91 Y92	L37-V88 HydrophobicContact CD1-CG2 3.99Å; C46-V88 VanDerWaalsContact SG-CG1 3.59Å; L84-V88 HydrophobicContact CG-CG2 4.48Å; L84-V88 WeakPolarHBondContact O-CG2 3.48Å; L84-V88 PolarHBondContact O-N 3.38Å; D85-V88 PolarHBondContact O-N 3.3Å; V88-Y90 PolarHBondContact O-N 3.29Å; V88-L91 WeakPolarHBondContact O-CB 3.41Å; V88-L91 PolarHBondContact O-N 3.35Å; V88-Y92 HydrophobicContact CG1-CE2 4.28Å; V88-Y92 VanDerWaalsContact O-CD2 3.29Å; V88-Y92 WeakPolarHBondContact O-CD2 3.42Å
89	K	93.1	Very high	93.2	Very high	112 Å²	112	42.3 Å²	42.3	49%	0.487	24%	0.236	S	C	.	.	H	α-helix	trans	-56.6	-39	176.4	-76.6	170.5	175.2	164.9	0	112.3	D85 M86 L91 Y92 S93	D85-K89 WeakPolarHBondContact O-CB 3.32Å; D85-K89 VanDerWaalsContact O-CG 3.31Å; D85-K89 WeakPolarHBondContact O-CG 3.49Å; D85-K89 PolarHBondContact O-N 3.23Å; D85-K89 WeakPolarHBondContact OD2-CE 3.37Å; D85-K89 IonicContact OD2-NZ 3.74Å; D85-K89 PolarHBondContact OD2-NZ 2.98Å; M86-K89 PolarHBondContact O-N 3.11Å; K89-L91 VanDerWaalsContact C-N 3.34Å; K89-L91 PolarHBondContact O-N 3.5Å; K89-Y92 PolarHBondContact O-N 2.72Å; K89-S93 VanDerWaalsContact O-CB 3.32Å; K89-S93 WeakPolarHBondContact O-CB 3.46Å; K89-S93 PolarHBondContact O-N 2.93Å; K89-S93 PolarHBondContact O-OG 2.85Å
90	Y	94.5	Very high	93.2	Very high	29 Å²	29	47.2 Å²	47.2	11%	0.114	26%	0.262	C	S	.	.	H	α-helix	trans	-61.6	-39.8	174.9	168.5	-91	0	0	0	112.4	M86 I87 V88 Y92 S93 A94 I96 S117 V118	M86-Y90 WeakPolarHBondContact O-CB 3.32Å; M86-Y90 PolarHBondContact O-N 2.91Å; I87-Y90 WeakPolarHBondContact O-CB 3.35Å; I87-Y90 PolarHBondContact O-N 3.4Å; V88-Y90 PolarHBondContact O-N 3.29Å; Y90-Y92 PolarHBondContact O-N 3.24Å; Y90-Y92 VanDerWaalsContact O-N 3.08Å; Y90-S93 PolarHBondContact O-N 2.83Å; Y90-A94 WeakPolarHBondContact O-CA 3.43Å; Y90-A94 PolarHBondContact O-N 3.34Å; Y90-I96 HydrophobicContact CD2-CB 3.64Å; Y90-I96 HydrophobicContact CD2-CG2 3.73Å; Y90-I96 HydrophobicContact CE2-CB 4.45Å; Y90-I96 HydrophobicContact CE2-CG2 4.05Å; Y90-I96 HydrophobicContact CG-CB 4.12Å; Y90-I96 HydrophobicContact CG-CG2 4.46Å; Y90-S117 WeakPolarHBondContact CE1-OG 3.45Å; Y90-S117 WeakPolarHBondContact OH-CB 3.47Å; Y90-S117 PolarHBondContact OH-OG 3.02Å; Y90-V118 HydrophobicContact CD1-CG2 3.19Å; Y90-V118 HydrophobicContact CE1-CB 4.46Å; Y90-V118 HydrophobicContact CE1-CG2 3.2Å; Y90-V118 HydrophobicContact CG-CG2 3.94Å
91	L	93.8	Very high	93.3	Very high	22 Å²	22	48.3 Å²	48.3	12%	0.115	28%	0.276	C	S	.	.	H	α-helix	trans	-59.7	-23.6	178.2	-63.2	-176.5	0	0	0	113.3	I50 L51 C54 I87 V88 K89 I115	I50-L91 HydrophobicContact CG2-CB 4.29Å; L51-L91 HydrophobicContact CD2-CD1 3.66Å; C54-L91 HydrophobicContact CB-CD1 4.45Å; C54-L91 HydrophobicContact CB-CD2 3.58Å; I87-L91 WeakPolarHBondContact O-CG 3.26Å; I87-L91 PolarHBondContact O-N 2.82Å; V88-L91 WeakPolarHBondContact O-CB 3.41Å; V88-L91 PolarHBondContact O-N 3.35Å; K89-L91 VanDerWaalsContact C-N 3.34Å; K89-L91 PolarHBondContact O-N 3.5Å; L91-I115 HydrophobicContact CD2-CG2 3.94Å
92	Y	93.8	Very high	93.3	Very high	4 Å²	4	47.9 Å²	47.9	2%	0.016	27%	0.272	C	S	.	.	H	α-helix	trans	-102.2	-23.6	177.5	-68.5	-96.5	0	0	0	113.6	Q20 L23 L27 H47 I50 V88 K89 Y90	Q20-Y92 WeakPolarHBondContact CG-O 3.37Å; L23-Y92 HydrophobicContact CB-CD1 4.03Å; L23-Y92 HydrophobicContact CB-CE1 4.44Å; L23-Y92 WeakPolarHBondContact O-CD1 3.48Å; L27-Y92 HydrophobicContact CB-CD1 4.17Å; L27-Y92 HydrophobicContact CB-CE1 4.2Å; L27-Y92 HydrophobicContact CD1-CE1 4.37Å; L27-Y92 HydrophobicContact CD1-CE2 4.15Å; L27-Y92 HydrophobicContact CD2-CD1 4.23Å; L27-Y92 HydrophobicContact CD2-CD2 3.6Å; L27-Y92 HydrophobicContact CD2-CE1 4.44Å; L27-Y92 HydrophobicContact CD2-CE2 3.84Å; L27-Y92 HydrophobicContact CD2-CG 3.82Å; H47-Y92 VanDerWaalsContact CB-OH 3.23Å; H47-Y92 WeakPolarHBondContact CB-OH 3.01Å; H47-Y92 PolarHBondContact N-OH 2.96Å; H47-Y92 AromaticContact ND1-CE1 3.43Å; H47-Y92 WeakPolarHBondContact ND1-CE1 3.1Å; H47-Y92 AromaticContact ND1-CZ 3.5Å; H47-Y92 PolarHBondContact ND1-OH 2.9Å; I50-Y92 HydrophobicContact CB-CE1 4.2Å; I50-Y92 HydrophobicContact CB-CE2 4.48Å; I50-Y92 HydrophobicContact CG1-CE1 3.81Å; I50-Y92 HydrophobicContact CG2-CD2 4.45Å; I50-Y92 HydrophobicContact CG2-CE1 4.09Å; I50-Y92 HydrophobicContact CG2-CE2 3.99Å; V88-Y92 HydrophobicContact CG1-CE2 4.28Å; V88-Y92 VanDerWaalsContact O-CD2 3.29Å; V88-Y92 WeakPolarHBondContact O-CD2 3.42Å; K89-Y92 PolarHBondContact O-N 2.72Å; Y90-Y92 PolarHBondContact O-N 3.24Å; Y90-Y92 VanDerWaalsContact O-N 3.08Å
93	S	91.1	Very high	93.4	Very high	30 Å²	30	43.6 Å²	43.6	21%	0.21	25%	0.249	C	C	.	.	H	α-helix	trans	-114.5	-9.5	-172.7	66.1	0	0	0	0	114.7	Q20 K89 Y90 S95	Q20-S93 PolarHBondContact NE2-O 3.45Å; K89-S93 VanDerWaalsContact O-CB 3.32Å; K89-S93 WeakPolarHBondContact O-CB 3.46Å; K89-S93 PolarHBondContact O-N 2.93Å; K89-S93 PolarHBondContact O-OG 2.85Å; Y90-S93 PolarHBondContact O-N 2.83Å; S93-S95 PolarHBondContact O-N 3.35Å; S93-S95 PolarHBondContact OG-N 3.29Å; S93-S95 PolarHBondContact OG-O 3.18Å
94	A	89.3	Confident	93.4	Very high	62 Å²	62	48 Å²	48	51%	0.512	27%	0.269	S	S	.	.	S	Bend	trans	50.5	19.2	-172.7	0	0	0	0	0	114.2	Y90	Y90-A94 WeakPolarHBondContact O-CA 3.43Å; Y90-A94 PolarHBondContact O-N 3.34Å
95	S	90.8	Very high	93.3	Very high	75 Å²	75	52 Å²	52	52%	0.524	29%	0.291	S	S	.	.			trans	-122.4	128.3	-179.6	-171.4	0	0	0	0	109.3	S93	S93-S95 PolarHBondContact O-N 3.35Å; S93-S95 PolarHBondContact OG-N 3.29Å; S93-S95 PolarHBondContact OG-O 3.18Å
96	I	93.8	Very high	93.4	Very high	27 Å²	27	50.6 Å²	50.6	14%	0.138	28%	0.283	C	S	.	.			trans	-142.4	127.4	177.6	-167.4	166.4	0	0	0	109.9	M86 Y90 L98 I106 V118	M86-I96 HydrophobicContact CE-CG1 4.32Å; Y90-I96 HydrophobicContact CD2-CB 3.64Å; Y90-I96 HydrophobicContact CD2-CG2 3.73Å; Y90-I96 HydrophobicContact CE2-CB 4.45Å; Y90-I96 HydrophobicContact CE2-CG2 4.05Å; Y90-I96 HydrophobicContact CG-CB 4.12Å; Y90-I96 HydrophobicContact CG-CG2 4.46Å; I96-L98 HydrophobicContact CD1-CD2 4.34Å; I96-L98 HydrophobicContact CG1-CD2 4.2Å; I96-L98 HydrophobicContact CG2-CD2 4.49Å; I96-L98 HydrophobicContact CG2-CG 4.46Å; I96-L98 PolarHBondContact O-N 2.93Å; I96-I106 HydrophobicContact CD1-CD1 4.21Å; I96-I106 HydrophobicContact CD1-CG2 3.77Å; I96-V118 HydrophobicContact CD1-CG1 4.09Å
97	D	92.5	Very high	93.4	Very high	124 Å²	124	48.1 Å²	48.1	66%	0.663	27%	0.271	S	S	*	.			trans	-91.8	102.3	-177.7	-63.6	-39.1	0	0	0	110.2	M86 N102	M86-D97 VanDerWaalsContact CE-O 3.28Å; M86-D97 WeakPolarHBondContact CE-O 3.36Å; D97-N102 PolarHBondContact O-ND2 2.56Å
98	L	94.1	Very high	93.4	Very high	28 Å²	28	49.8 Å²	49.8	15%	0.147	29%	0.285	C	S	.	.			trans	-91	135.7	178	-60.2	-174.8	0	0	0	111.8	I96 V103 I106 V121 Y125	I96-L98 HydrophobicContact CD1-CD2 4.34Å; I96-L98 HydrophobicContact CG1-CD2 4.2Å; I96-L98 HydrophobicContact CG2-CD2 4.49Å; I96-L98 HydrophobicContact CG2-CG 4.46Å; I96-L98 PolarHBondContact O-N 2.93Å; L98-V103 HydrophobicContact CD1-CG2 4.49Å; L98-I106 HydrophobicContact CD2-CB 4.48Å; L98-I106 HydrophobicContact CD2-CD1 3.55Å; L98-I106 HydrophobicContact CD2-CG2 4.18Å; L98-V121 HydrophobicContact CD1-CG1 3.75Å; L98-Y125 HydrophobicContact CB-CD2 3.7Å; L98-Y125 HydrophobicContact CB-CE2 3.81Å; L98-Y125 HydrophobicContact CB-CG 4.14Å; L98-Y125 HydrophobicContact CD1-CD2 4.12Å; L98-Y125 HydrophobicContact CD1-CG 4.03Å; L98-Y125 WeakPolarHBondContact O-CE2 3.5Å
99	N	94.1	Very high	93.4	Very high	64 Å²	64	50.2 Å²	50.2	34%	0.342	29%	0.287	S	S	.	.			trans	-140.8	171.1	172.2	63.3	56.5	0	0	0	110.7	S101 N102 V103 Y125	N99-S101 PolarHBondContact O-N 3.13Å; N99-S101 VanDerWaalsContact O-N 3.13Å; N99-S101 WeakPolarHBondContact OD1-CA 3.48Å; N99-S101 WeakPolarHBondContact OD1-CB 3.43Å; N99-S101 PolarHBondContact OD1-N 3.46Å; N99-S101 PolarHBondContact OD1-OG 3.37Å; N99-N102 PolarHBondContact N-OD1 3.24Å; N99-N102 PolarHBondContact ND2-ND2 2.68Å; N99-N102 VanDerWaalsContact ND2-ND2 3.16Å; N99-N102 PolarHBondContact O-N 3Å; N99-N102 PolarHBondContact O-OD1 2.77Å; N99-N102 VanDerWaalsContact OD1-CG 3.32Å; N99-N102 PolarHBondContact OD1-N 3.23Å; N99-N102 PolarHBondContact OD1-OD1 3.12Å; N99-V103 WeakPolarHBondContact O-CB 3.28Å; N99-V103 WeakPolarHBondContact O-CG1 3.39Å; N99-V103 PolarHBondContact O-N 3.08Å; N99-V103 VanDerWaalsContact O-N 3.1Å; N99-Y125 VanDerWaalsContact CA-OH 3.32Å; N99-Y125 WeakPolarHBondContact CA-OH 3.39Å
100	D	91.5	Very high	93.6	Very high	116 Å²	116	44.9 Å²	44.9	62%	0.62	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-21.6	-176.2	-59.7	-31.9	0	0	0	113.4	Y125	D100-Y125 PolarHBondContact OD1-OH 3.08Å
101	S	92.1	Very high	93.6	Very high	101 Å²	101	45.3 Å²	45.3	71%	0.706	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-27.1	-179.1	68.9	0	0	0	0	114.4	N99	N99-S101 PolarHBondContact O-N 3.13Å; N99-S101 VanDerWaalsContact O-N 3.13Å; N99-S101 WeakPolarHBondContact OD1-CA 3.48Å; N99-S101 WeakPolarHBondContact OD1-CB 3.43Å; N99-S101 PolarHBondContact OD1-N 3.46Å; N99-S101 PolarHBondContact OD1-OG 3.37Å
102	N	94.3	Very high	93.6	Very high	19 Å²	19	49.4 Å²	49.4	10%	0.102	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	-18.7	-174.5	69.7	8.6	0	0	0	114.1	M86 D97 N99 Q104 D105 I106	M86-N102 WeakPolarHBondContact CE-ND2 3.25Å; D97-N102 PolarHBondContact O-ND2 2.56Å; N99-N102 PolarHBondContact N-OD1 3.24Å; N99-N102 PolarHBondContact ND2-ND2 2.68Å; N99-N102 VanDerWaalsContact ND2-ND2 3.16Å; N99-N102 PolarHBondContact O-N 3Å; N99-N102 PolarHBondContact O-OD1 2.77Å; N99-N102 VanDerWaalsContact OD1-CG 3.32Å; N99-N102 PolarHBondContact OD1-N 3.23Å; N99-N102 PolarHBondContact OD1-OD1 3.12Å; N102-Q104 VanDerWaalsContact C-N 3.27Å; N102-Q104 PolarHBondContact O-N 3.03Å; N102-D105 PolarHBondContact O-N 3.36Å; N102-I106 HydrophobicContact CB-CD1 4Å; N102-I106 VanDerWaalsContact O-CG1 3.3Å; N102-I106 WeakPolarHBondContact O-CG1 3.4Å; N102-I106 PolarHBondContact O-N 2.64Å
103	V	94.9	Very high	93.6	Very high	4 Å²	4	49.2 Å²	49.2	2%	0.024	28%	0.284	C	S	.	.	H	α-helix	trans	-61.2	-34.9	-170.8	64.1	0	0	0	0	112.8	L98 N99 F107 C122 Y125 L126	L98-V103 HydrophobicContact CD1-CG2 4.49Å; N99-V103 WeakPolarHBondContact O-CB 3.28Å; N99-V103 WeakPolarHBondContact O-CG1 3.39Å; N99-V103 PolarHBondContact O-N 3.08Å; N99-V103 VanDerWaalsContact O-N 3.1Å; V103-F107 WeakPolarHBondContact O-CB 3.44Å; V103-F107 PolarHBondContact O-N 3.36Å; V103-C122 HydrophobicContact CG2-CB 4.31Å; V103-Y125 HydrophobicContact CB-CD1 4.26Å; V103-Y125 HydrophobicContact CB-CE1 4.36Å; V103-Y125 HydrophobicContact CG1-CD1 4.41Å; V103-Y125 HydrophobicContact CG1-CE1 4.3Å; V103-Y125 HydrophobicContact CG2-CD1 3.82Å; V103-Y125 HydrophobicContact CG2-CE1 4.42Å; V103-Y125 HydrophobicContact CG2-CG 4.43Å; V103-L126 HydrophobicContact CG1-CD2 3.83Å; V103-L126 HydrophobicContact CG2-CD1 4.41Å; V103-L126 HydrophobicContact CG2-CD2 4.08Å; V103-L126 HydrophobicContact CG2-CG 4.01Å
104	Q	93.9	Very high	93.9	Very high	102 Å²	102	52.3 Å²	52.3	48%	0.477	30%	0.295	S	S	.	.	H	α-helix	trans	-66.6	-46	-179.4	-62.4	-172.4	-3	0	0	111.5	N102 F107 A108 L141	N102-Q104 VanDerWaalsContact C-N 3.27Å; N102-Q104 PolarHBondContact O-N 3.03Å; Q104-F107 PolarHBondContact O-N 3.2Å; Q104-A108 WeakPolarHBondContact O-CB 3.39Å; Q104-A108 PolarHBondContact O-N 3.04Å; Q104-L141 HydrophobicContact CG-CD2 4.05Å
105	D	94	Very high	94.2	Very high	85 Å²	85	49.4 Å²	49.4	46%	0.455	27%	0.271	S	S	.	.	H	α-helix	trans	-69.6	-42.6	-180	-61.3	-44	0	0	0	111.5	V83 N102 F107 A108 L109	V83-D105 HydrophobicContact CG1-CB 4.06Å; V83-D105 HydrophobicContact CG2-CB 3.9Å; N102-D105 PolarHBondContact O-N 3.36Å; D105-F107 VanDerWaalsContact C-N 3.28Å; D105-F107 PolarHBondContact O-N 3.1Å; D105-A108 PolarHBondContact O-N 2.65Å; D105-L109 WeakPolarHBondContact O-CG 3.24Å; D105-L109 PolarHBondContact O-N 2.94Å
106	I	95.9	Very high	94.3	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-59.3	-44.3	174.3	-64.8	170.5	0	0	0	109.8	V83 M86 I87 I96 L98 N102 L109 A110 V118	V83-I106 HydrophobicContact CG1-CB 4.26Å; V83-I106 HydrophobicContact CG1-CG1 3.59Å; M86-I106 HydrophobicContact CE-CD1 3.93Å; M86-I106 HydrophobicContact SD-CD1 4.23Å; I87-I106 HydrophobicContact CD1-CG2 4.42Å; I87-I106 HydrophobicContact CG1-CG2 4.29Å; I96-I106 HydrophobicContact CD1-CD1 4.21Å; I96-I106 HydrophobicContact CD1-CG2 3.77Å; L98-I106 HydrophobicContact CD2-CB 4.48Å; L98-I106 HydrophobicContact CD2-CD1 3.55Å; L98-I106 HydrophobicContact CD2-CG2 4.18Å; N102-I106 HydrophobicContact CB-CD1 4Å; N102-I106 VanDerWaalsContact O-CG1 3.3Å; N102-I106 WeakPolarHBondContact O-CG1 3.4Å; N102-I106 PolarHBondContact O-N 2.64Å; I106-L109 PolarHBondContact O-N 3.42Å; I106-A110 VanDerWaalsContact O-CB 3.22Å; I106-A110 WeakPolarHBondContact O-CB 3.38Å; I106-A110 PolarHBondContact O-N 3.24Å; I106-V118 HydrophobicContact CG2-CG1 3.5Å; I106-V118 VanDerWaalsContact CG2-CG1 3.5Å
107	F	95.8	Very high	94.3	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-65.3	-42.4	-179.8	-174.2	-138.9	0	0	0	112.1	V103 Q104 D105 A110 S111 F119 C122 V123 L126 L141 L145 C147 L150	V103-F107 WeakPolarHBondContact O-CB 3.44Å; V103-F107 PolarHBondContact O-N 3.36Å; Q104-F107 PolarHBondContact O-N 3.2Å; D105-F107 VanDerWaalsContact C-N 3.28Å; D105-F107 PolarHBondContact O-N 3.1Å; F107-A110 PolarHBondContact O-N 3.42Å; F107-S111 WeakPolarHBondContact O-CB 3.37Å; F107-S111 PolarHBondContact O-N 2.87Å; F107-F119 AromaticContact CD2-CD2 3.93Å; F107-F119 HydrophobicContact CD2-CD2 3.93Å; F107-F119 HydrophobicContact CD2-CE2 4.16Å; F107-F119 HydrophobicContact CD2-CG 4.41Å; F107-F119 HydrophobicContact CE2-CD1 4.16Å; F107-F119 AromaticContact CE2-CD2 3.39Å; F107-F119 HydrophobicContact CE2-CD2 3.39Å; F107-F119 HydrophobicContact CE2-CE1 4.06Å; F107-F119 AromaticContact CE2-CE2 3.28Å; F107-F119 HydrophobicContact CE2-CE2 3.28Å; F107-F119 AromaticContact CE2-CG 3.85Å; F107-F119 HydrophobicContact CE2-CG 3.85Å; F107-F119 AromaticContact CE2-CZ 3.64Å; F107-F119 HydrophobicContact CE2-CZ 3.64Å; F107-F119 HydrophobicContact CZ-CD2 4.31Å; F107-F119 HydrophobicContact CZ-CE1 4.48Å; F107-F119 AromaticContact CZ-CE2 3.76Å; F107-F119 HydrophobicContact CZ-CE2 3.76Å; F107-F119 AromaticContact CZ-CZ 3.85Å; F107-F119 HydrophobicContact CZ-CZ 3.85Å; F107-C122 HydrophobicContact CB-CB 3.87Å; F107-C122 HydrophobicContact CD2-CB 3.58Å; F107-C122 HydrophobicContact CE2-CB 4.4Å; F107-C122 HydrophobicContact CG-CB 3.95Å; F107-V123 HydrophobicContact CE2-CG2 3.54Å; F107-V123 HydrophobicContact CZ-CG2 3.66Å; F107-L126 HydrophobicContact CD1-CD1 4.07Å; F107-L126 HydrophobicContact CE1-CD1 4.38Å; F107-L141 HydrophobicContact CD1-CD2 3.95Å; F107-L141 HydrophobicContact CD1-CG 4.06Å; F107-L141 HydrophobicContact CE1-CD2 4.44Å; F107-L141 HydrophobicContact CE1-CG 4.24Å; F107-L145 HydrophobicContact CD1-CD1 3.2Å; F107-L145 HydrophobicContact CE1-CB 4.36Å; F107-L145 HydrophobicContact CE1-CD1 3.36Å; F107-L145 HydrophobicContact CE1-CG 4.47Å; F107-L145 HydrophobicContact CG-CD1 3.9Å; F107-L145 HydrophobicContact CZ-CD1 4.17Å; F107-C147 HydrophobicContact CZ-CB 4.08Å; F107-L150 HydrophobicContact CE1-CD2 3.65Å; F107-L150 HydrophobicContact CZ-CD2 4.09Å
108	A	94.1	Very high	94.4	Very high	37 Å²	37	44.9 Å²	44.9	31%	0.306	25%	0.25	S	C	.	.	H	α-helix	trans	-62.2	-45	176.1	0	0	0	0	0	112	Q104 D105 S111 R112 L145	Q104-A108 WeakPolarHBondContact O-CB 3.39Å; Q104-A108 PolarHBondContact O-N 3.04Å; D105-A108 PolarHBondContact O-N 2.65Å; A108-S111 PolarHBondContact O-N 2.91Å; A108-R112 WeakPolarHBondContact O-CB 3.33Å; A108-R112 PolarHBondContact O-N 3.13Å; A108-L145 HydrophobicContact CB-CD2 4.35Å
109	L	95.1	Very high	94.5	Very high	14 Å²	14	45.9 Å²	45.9	7%	0.073	25%	0.253	C	S	.	.	H	α-helix	trans	-68.5	-39.1	176.5	-68	-170.3	0	0	0	112.5	V79 V83 I87 D105 I106 S111 R112 F113	V79-L109 HydrophobicContact CB-CD2 4.47Å; V79-L109 HydrophobicContact CG1-CD1 3.71Å; V79-L109 HydrophobicContact CG1-CD2 3.98Å; V79-L109 HydrophobicContact CG2-CD2 3.98Å; V83-L109 HydrophobicContact CB-CD1 3.97Å; V83-L109 HydrophobicContact CG1-CD1 3.58Å; V83-L109 HydrophobicContact CG1-CG 4.31Å; I87-L109 HydrophobicContact CD1-CB 3.5Å; I87-L109 HydrophobicContact CD1-CD1 4.1Å; I87-L109 HydrophobicContact CD1-CG 4.45Å; D105-L109 WeakPolarHBondContact O-CG 3.24Å; D105-L109 PolarHBondContact O-N 2.94Å; I106-L109 PolarHBondContact O-N 3.42Å; L109-S111 VanDerWaalsContact C-N 3.29Å; L109-S111 PolarHBondContact O-N 2.63Å; L109-R112 PolarHBondContact O-N 2.8Å; L109-F113 HydrophobicContact CB-CD2 4.21Å; L109-F113 HydrophobicContact CB-CE2 4.28Å; L109-F113 HydrophobicContact CD2-CE2 3.9Å; L109-F113 HydrophobicContact CG-CE2 4.47Å; L109-F113 WeakPolarHBondContact O-CB 3.43Å; L109-F113 WeakPolarHBondContact O-CD2 3.36Å; L109-F113 PolarHBondContact O-N 3.02Å
110	A	95.6	Very high	94.5	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-63.1	-37.1	176.1	0	0	0	0	0	111.7	I106 F107 Q114 I115 V118 F119	I106-A110 VanDerWaalsContact O-CB 3.22Å; I106-A110 WeakPolarHBondContact O-CB 3.38Å; I106-A110 PolarHBondContact O-N 3.24Å; F107-A110 PolarHBondContact O-N 3.42Å; A110-Q114 CarbonylContact O-C 3.57Å; A110-Q114 WeakPolarHBondContact O-CA 3.39Å; A110-Q114 PolarHBondContact O-N 3.23Å; A110-I115 PolarHBondContact O-N 2.85Å; A110-V118 HydrophobicContact CB-CB 3.88Å; A110-V118 HydrophobicContact CB-CG1 3.69Å; A110-F119 HydrophobicContact CB-CB 4.3Å
111	S	94.8	Very high	94.6	Very high	38 Å²	38	43.5 Å²	43.5	27%	0.266	25%	0.245	S	C	.	.	H	α-helix	trans	-66.8	-52.7	171.9	-173.1	0	0	0	0	111.1	F107 A108 L109 F113 Q114	F107-S111 WeakPolarHBondContact O-CB 3.37Å; F107-S111 PolarHBondContact O-N 2.87Å; A108-S111 PolarHBondContact O-N 2.91Å; L109-S111 VanDerWaalsContact C-N 3.29Å; L109-S111 PolarHBondContact O-N 2.63Å; S111-F113 PolarHBondContact O-N 2.91Å; S111-Q114 PolarHBondContact O-N 3.1Å
112	R	94.1	Very high	94.8	Very high	107 Å²	107	38.7 Å²	38.7	40%	0.404	21%	0.211	S	C	.	.	H	α-helix	trans	-56.6	-45.1	-179.1	-178.6	178.8	177.4	-176.8	-3.1	113	D77 A108 L109 Q114	D77-R112 PolarHBondContact O-NH1 3.43Å; D77-R112 PolarHBondContact O-NH2 3.06Å; A108-R112 WeakPolarHBondContact O-CB 3.33Å; A108-R112 PolarHBondContact O-N 3.13Å; L109-R112 PolarHBondContact O-N 2.8Å; R112-Q114 VanDerWaalsContact C-N 3.33Å
113	F	94.9	Very high	94.8	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	9.8	179.7	-57.1	-46.9	0	0	0	113.1	S55 Y57 F58 L76 V79 L84 L109 S111 I115	S55-F113 WeakPolarHBondContact CB-O 3.31Å; S55-F113 PolarHBondContact OG-O 3Å; Y57-F113 WeakPolarHBondContact CB-O 3.37Å; Y57-F113 HydrophobicContact CD1-CB 4.45Å; Y57-F113 AromaticContact CD1-CD1 3.72Å; Y57-F113 HydrophobicContact CD1-CD1 3.72Å; Y57-F113 AromaticContact CE1-CD1 3.66Å; Y57-F113 HydrophobicContact CE1-CD1 3.66Å; Y57-F113 HydrophobicContact CE1-CE1 4.04Å; Y57-F113 HydrophobicContact CG-CD1 4.38Å; F58-F113 HydrophobicContact CE2-CB 4.03Å; F58-F113 HydrophobicContact CE2-CD1 4.38Å; F58-F113 HydrophobicContact CE2-CG 4.11Å; F58-F113 HydrophobicContact CZ-CD1 4.03Å; F58-F113 HydrophobicContact CZ-CE1 4.39Å; F58-F113 HydrophobicContact CZ-CG 4.12Å; L76-F113 HydrophobicContact CD1-CE1 4.42Å; L76-F113 HydrophobicContact CD1-CE2 4.35Å; L76-F113 HydrophobicContact CD1-CZ 3.82Å; L76-F113 HydrophobicContact CD2-CE1 3.84Å; L76-F113 HydrophobicContact CD2-CZ 3.95Å; L76-F113 HydrophobicContact CG-CZ 4.34Å; V79-F113 HydrophobicContact CG2-CE2 4.44Å; V79-F113 HydrophobicContact CG2-CZ 4Å; L84-F113 HydrophobicContact CD1-CE2 4.07Å; L109-F113 HydrophobicContact CB-CD2 4.21Å; L109-F113 HydrophobicContact CB-CE2 4.28Å; L109-F113 HydrophobicContact CD2-CE2 3.9Å; L109-F113 HydrophobicContact CG-CE2 4.47Å; L109-F113 WeakPolarHBondContact O-CB 3.43Å; L109-F113 WeakPolarHBondContact O-CD2 3.36Å; L109-F113 PolarHBondContact O-N 3.02Å; S111-F113 PolarHBondContact O-N 2.91Å; F113-I115 HydrophobicContact CB-CD1 4.14Å; F113-I115 HydrophobicContact CB-CG1 4.17Å; F113-I115 PolarHBondContact O-N 3.21Å
114	Q	95.8	Very high	94.9	Very high	95 Å²	95	39.4 Å²	39.4	44%	0.444	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.4	56.7	175.9	-57.6	177.2	1.4	0	0	112.4	P56 A110 S111 R112 P116	P56-Q114 WeakPolarHBondContact CD-O 3.49Å; A110-Q114 CarbonylContact O-C 3.57Å; A110-Q114 WeakPolarHBondContact O-CA 3.39Å; A110-Q114 PolarHBondContact O-N 3.23Å; S111-Q114 PolarHBondContact O-N 3.1Å; R112-Q114 VanDerWaalsContact C-N 3.33Å; Q114-P116 VanDerWaalsContact O-CD 3.25Å; Q114-P116 WeakPolarHBondContact O-CD 3.37Å
115	I	96	Very high	94.9	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.01	20%	0.204	C	C	.	.			trans	-103.2	92.4	178.6	-56.3	174.4	0	0	0	108	I87 L91 A110 F113 S117 V118 F119	I87-I115 HydrophobicContact CG2-CD1 3.27Å; L91-I115 HydrophobicContact CD2-CG2 3.94Å; A110-I115 PolarHBondContact O-N 2.85Å; F113-I115 HydrophobicContact CB-CD1 4.14Å; F113-I115 HydrophobicContact CB-CG1 4.17Å; F113-I115 PolarHBondContact O-N 3.21Å; I115-S117 VanDerWaalsContact C-N 3.31Å; I115-S117 PolarHBondContact O-N 3.5Å; I115-V118 HydrophobicContact CB-CB 4.46Å; I115-V118 HydrophobicContact CB-CG2 4.5Å; I115-V118 HydrophobicContact CG2-CB 4.01Å; I115-V118 HydrophobicContact CG2-CG2 3.64Å; I115-V118 PolarHBondContact O-N 3.29Å; I115-F119 WeakPolarHBondContact O-CB 3.37Å; I115-F119 PolarHBondContact O-N 2.81Å
116	P	93.4	Very high	95.1	Very high	77 Å²	77	33.1 Å²	33.1	50%	0.5	18%	0.184	S	C	.	.	H	α-helix	trans	-67.3	-31.4	-163.5	-22.1	36.1	0	0	0	113.4	Q114 T120	Q114-P116 VanDerWaalsContact O-CD 3.25Å; Q114-P116 WeakPolarHBondContact O-CD 3.37Å; P116-T120 WeakPolarHBondContact O-CB 3.37Å; P116-T120 PolarHBondContact O-N 2.99Å; P116-T120 PolarHBondContact O-OG1 2.87Å
117	S	93.7	Very high	95	Very high	53 Å²	53	35.1 Å²	35.1	37%	0.371	19%	0.194	S	C	.	.	H	α-helix	trans	-70.5	-46.9	-179.1	60	0	0	0	0	111.6	Y90 I115 F119 T120 V121	Y90-S117 WeakPolarHBondContact CE1-OG 3.45Å; Y90-S117 WeakPolarHBondContact OH-CB 3.47Å; Y90-S117 PolarHBondContact OH-OG 3.02Å; I115-S117 VanDerWaalsContact C-N 3.31Å; I115-S117 PolarHBondContact O-N 3.5Å; S117-F119 PolarHBondContact O-N 3.36Å; S117-T120 PolarHBondContact O-N 3.01Å; S117-V121 WeakPolarHBondContact O-CG2 3.32Å; S117-V121 PolarHBondContact O-N 3.25Å; S117-V121 VanDerWaalsContact O-N 3.1Å
118	V	95.3	Very high	94.9	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-62	-44.5	172.9	-178.9	0	0	0	0	110.8	Y90 I96 I106 A110 I115 T120 V121 C122	Y90-V118 HydrophobicContact CD1-CG2 3.19Å; Y90-V118 HydrophobicContact CE1-CB 4.46Å; Y90-V118 HydrophobicContact CE1-CG2 3.2Å; Y90-V118 HydrophobicContact CG-CG2 3.94Å; I96-V118 HydrophobicContact CD1-CG1 4.09Å; I106-V118 HydrophobicContact CG2-CG1 3.5Å; I106-V118 VanDerWaalsContact CG2-CG1 3.5Å; A110-V118 HydrophobicContact CB-CB 3.88Å; A110-V118 HydrophobicContact CB-CG1 3.69Å; I115-V118 HydrophobicContact CB-CB 4.46Å; I115-V118 HydrophobicContact CB-CG2 4.5Å; I115-V118 HydrophobicContact CG2-CB 4.01Å; I115-V118 HydrophobicContact CG2-CG2 3.64Å; I115-V118 PolarHBondContact O-N 3.29Å; V118-T120 VanDerWaalsContact C-N 3.31Å; V118-T120 PolarHBondContact O-N 3.35Å; V118-V121 PolarHBondContact O-N 2.86Å; V118-C122 PolarHBondContact O-N 3.45Å; V118-C122 PolarHBondContact O-SG 3.33Å
119	F	94.9	Very high	94.9	Very high	49 Å²	49	48.8 Å²	48.8	22%	0.215	24%	0.243	C	C	.	.	H	α-helix	trans	-55.3	-47.3	177.3	-175.4	-83.4	0	0	0	111.4	F107 A110 I115 S117 V121 C122 V123 C147	F107-F119 AromaticContact CD2-CD2 3.93Å; F107-F119 HydrophobicContact CD2-CD2 3.93Å; F107-F119 HydrophobicContact CD2-CE2 4.16Å; F107-F119 HydrophobicContact CD2-CG 4.41Å; F107-F119 HydrophobicContact CE2-CD1 4.16Å; F107-F119 AromaticContact CE2-CD2 3.39Å; F107-F119 HydrophobicContact CE2-CD2 3.39Å; F107-F119 HydrophobicContact CE2-CE1 4.06Å; F107-F119 AromaticContact CE2-CE2 3.28Å; F107-F119 HydrophobicContact CE2-CE2 3.28Å; F107-F119 AromaticContact CE2-CG 3.85Å; F107-F119 HydrophobicContact CE2-CG 3.85Å; F107-F119 AromaticContact CE2-CZ 3.64Å; F107-F119 HydrophobicContact CE2-CZ 3.64Å; F107-F119 HydrophobicContact CZ-CD2 4.31Å; F107-F119 HydrophobicContact CZ-CE1 4.48Å; F107-F119 AromaticContact CZ-CE2 3.76Å; F107-F119 HydrophobicContact CZ-CE2 3.76Å; F107-F119 AromaticContact CZ-CZ 3.85Å; F107-F119 HydrophobicContact CZ-CZ 3.85Å; A110-F119 HydrophobicContact CB-CB 4.3Å; I115-F119 WeakPolarHBondContact O-CB 3.37Å; I115-F119 PolarHBondContact O-N 2.81Å; S117-F119 PolarHBondContact O-N 3.36Å; F119-V121 PolarHBondContact O-N 3.16Å; F119-C122 PolarHBondContact O-N 3.45Å; F119-V123 HydrophobicContact CD1-CG2 4.05Å; F119-V123 HydrophobicContact CE1-CG2 3.79Å; F119-V123 HydrophobicContact CZ-CG2 4.36Å; F119-V123 WeakPolarHBondContact O-CG2 3.41Å; F119-V123 PolarHBondContact O-N 2.92Å; F119-C147 HydrophobicContact CZ-CB 3.92Å
120	T	94	Very high	94.9	Very high	67 Å²	67	49.7 Å²	49.7	41%	0.411	25%	0.247	S	C	.	.	H	α-helix	trans	-64.2	-40.7	-179.8	-59.7	0	0	0	0	112.4	P116 S117 V118 S124	P116-T120 WeakPolarHBondContact O-CB 3.37Å; P116-T120 PolarHBondContact O-N 2.99Å; P116-T120 PolarHBondContact O-OG1 2.87Å; S117-T120 PolarHBondContact O-N 3.01Å; V118-T120 VanDerWaalsContact C-N 3.31Å; V118-T120 PolarHBondContact O-N 3.35Å; T120-S124 WeakPolarHBondContact O-CB 3.27Å; T120-S124 PolarHBondContact O-N 3.47Å; T120-S124 PolarHBondContact O-OG 2.84Å
121	V	94	Very high	94.8	Very high	63 Å²	63	51.8 Å²	51.8	38%	0.382	26%	0.264	S	S	.	.	H	α-helix	trans	-67.1	-41.7	177.8	178.2	0	0	0	0	110.6	L98 S117 V118 F119 S124 Y125	L98-V121 HydrophobicContact CD1-CG1 3.75Å; S117-V121 WeakPolarHBondContact O-CG2 3.32Å; S117-V121 PolarHBondContact O-N 3.25Å; S117-V121 VanDerWaalsContact O-N 3.1Å; V118-V121 PolarHBondContact O-N 2.86Å; F119-V121 PolarHBondContact O-N 3.16Å; V121-S124 PolarHBondContact O-N 2.99Å; V121-Y125 WeakPolarHBondContact O-CB 3.48Å; V121-Y125 PolarHBondContact O-N 3.24Å
122	C	95.8	Very high	94.6	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-62.4	-45.8	176	-65.1	0	0	0	0	112.2	V103 F107 V118 F119 S124 Y125 L126	V103-C122 HydrophobicContact CG2-CB 4.31Å; F107-C122 HydrophobicContact CB-CB 3.87Å; F107-C122 HydrophobicContact CD2-CB 3.58Å; F107-C122 HydrophobicContact CE2-CB 4.4Å; F107-C122 HydrophobicContact CG-CB 3.95Å; V118-C122 PolarHBondContact O-N 3.45Å; V118-C122 PolarHBondContact O-SG 3.33Å; F119-C122 PolarHBondContact O-N 3.45Å; C122-S124 VanDerWaalsContact C-N 3.32Å; C122-S124 PolarHBondContact O-N 3.03Å; C122-Y125 WeakPolarHBondContact O-CB 3.45Å; C122-Y125 PolarHBondContact O-N 3.4Å; C122-L126 WeakPolarHBondContact O-CG 3.28Å; C122-L126 PolarHBondContact O-N 3.5Å
123	V	95.8	Very high	94.5	Very high	3 Å²	3	49.4 Å²	49.4	2%	0.018	27%	0.272	C	S	.	.	H	α-helix	trans	-58.5	-46.9	175.3	171.6	0	0	0	0	110.5	F107 F119 Y125 L126 Q127 R149 L150	F107-V123 HydrophobicContact CE2-CG2 3.54Å; F107-V123 HydrophobicContact CZ-CG2 3.66Å; F119-V123 HydrophobicContact CD1-CG2 4.05Å; F119-V123 HydrophobicContact CE1-CG2 3.79Å; F119-V123 HydrophobicContact CZ-CG2 4.36Å; F119-V123 WeakPolarHBondContact O-CG2 3.41Å; F119-V123 PolarHBondContact O-N 2.92Å; V123-Y125 VanDerWaalsContact C-N 3.32Å; V123-Y125 PolarHBondContact O-N 2.87Å; V123-L126 PolarHBondContact O-N 3.28Å; V123-Q127 HydrophobicContact CG1-CG 4.27Å; V123-Q127 WeakPolarHBondContact O-CB 3.36Å; V123-Q127 VanDerWaalsContact O-CG 3.27Å; V123-Q127 WeakPolarHBondContact O-CG 3.37Å; V123-Q127 PolarHBondContact O-N 3.41Å; V123-R149 HydrophobicContact CG1-CG 4.46Å; V123-L150 HydrophobicContact CG1-CB 4.39Å
124	S	95.4	Very high	94.5	Very high	35 Å²	35	51.9 Å²	51.9	25%	0.245	29%	0.285	C	S	.	.	H	α-helix	trans	-64.1	-37.3	179.8	-56.6	0	0	0	0	112.2	T120 V121 C122 K128	T120-S124 WeakPolarHBondContact O-CB 3.27Å; T120-S124 PolarHBondContact O-N 3.47Å; T120-S124 PolarHBondContact O-OG 2.84Å; V121-S124 PolarHBondContact O-N 2.99Å; C122-S124 VanDerWaalsContact C-N 3.32Å; C122-S124 PolarHBondContact O-N 3.03Å; S124-K128 VanDerWaalsContact O-CG 3.3Å; S124-K128 WeakPolarHBondContact O-CG 3.21Å; S124-K128 PolarHBondContact O-N 3.32Å
125	Y	95.5	Very high	94.5	Very high	46 Å²	46	47.3 Å²	47.3	18%	0.18	26%	0.264	C	S	.	.	H	α-helix	trans	-62.4	-51	175.1	-176.5	-84.8	0	0	0	111.3	L98 N99 D100 V103 V121 C122 V123 Q127 K128 R129	L98-Y125 HydrophobicContact CB-CD2 3.7Å; L98-Y125 HydrophobicContact CB-CE2 3.81Å; L98-Y125 HydrophobicContact CB-CG 4.14Å; L98-Y125 HydrophobicContact CD1-CD2 4.12Å; L98-Y125 HydrophobicContact CD1-CG 4.03Å; L98-Y125 WeakPolarHBondContact O-CE2 3.5Å; N99-Y125 VanDerWaalsContact CA-OH 3.32Å; N99-Y125 WeakPolarHBondContact CA-OH 3.39Å; D100-Y125 PolarHBondContact OD1-OH 3.08Å; V103-Y125 HydrophobicContact CB-CD1 4.26Å; V103-Y125 HydrophobicContact CB-CE1 4.36Å; V103-Y125 HydrophobicContact CG1-CD1 4.41Å; V103-Y125 HydrophobicContact CG1-CE1 4.3Å; V103-Y125 HydrophobicContact CG2-CD1 3.82Å; V103-Y125 HydrophobicContact CG2-CE1 4.42Å; V103-Y125 HydrophobicContact CG2-CG 4.43Å; V121-Y125 WeakPolarHBondContact O-CB 3.48Å; V121-Y125 PolarHBondContact O-N 3.24Å; C122-Y125 WeakPolarHBondContact O-CB 3.45Å; C122-Y125 PolarHBondContact O-N 3.4Å; V123-Y125 VanDerWaalsContact C-N 3.32Å; V123-Y125 PolarHBondContact O-N 2.87Å; Y125-Q127 PolarHBondContact O-N 2.81Å; Y125-K128 PolarHBondContact O-N 3.34Å; Y125-R129 HydrophobicContact CD1-CG 4.47Å; Y125-R129 HydrophobicContact CE1-CG 4.13Å; Y125-R129 WeakPolarHBondContact O-CG 3.45Å; Y125-R129 PolarHBondContact O-N 3.39Å
126	L	96.3	Very high	94.5	Very high	9 Å²	9	47.6 Å²	47.6	5%	0.047	27%	0.265	C	S	.	.	H	α-helix	trans	-64.5	-40.9	-179.4	-69	170.6	0	0	0	112	V103 F107 C122 V123 K128 R129 L130 I138 L141 L150	V103-L126 HydrophobicContact CG1-CD2 3.83Å; V103-L126 HydrophobicContact CG2-CD1 4.41Å; V103-L126 HydrophobicContact CG2-CD2 4.08Å; V103-L126 HydrophobicContact CG2-CG 4.01Å; F107-L126 HydrophobicContact CD1-CD1 4.07Å; F107-L126 HydrophobicContact CE1-CD1 4.38Å; C122-L126 WeakPolarHBondContact O-CG 3.28Å; C122-L126 PolarHBondContact O-N 3.5Å; V123-L126 PolarHBondContact O-N 3.28Å; L126-K128 VanDerWaalsContact C-N 3.35Å; L126-K128 PolarHBondContact O-N 3.08Å; L126-R129 CarbonylContact O-C 3.52Å; L126-R129 PolarHBondContact O-N 3.09Å; L126-L130 PolarHBondContact O-N 3.3Å; L126-I138 HydrophobicContact CB-CG2 4.48Å; L126-I138 HydrophobicContact CD2-CD1 4.41Å; L126-I138 HydrophobicContact CD2-CG1 4.43Å; L126-L141 HydrophobicContact CD1-CD2 3.94Å; L126-L150 HydrophobicContact CB-CD1 3.86Å; L126-L150 HydrophobicContact CD1-CD2 3.79Å
127	Q	95.5	Very high	94.5	Very high	43 Å²	43	46 Å²	46	20%	0.201	26%	0.258	C	S	.	.	H	α-helix	trans	-59.7	-42.9	175.9	-75.9	-179.1	-39.3	0	0	112.1	V123 Y125 R129 L130 L150 S153	V123-Q127 HydrophobicContact CG1-CG 4.27Å; V123-Q127 WeakPolarHBondContact O-CB 3.36Å; V123-Q127 VanDerWaalsContact O-CG 3.27Å; V123-Q127 WeakPolarHBondContact O-CG 3.37Å; V123-Q127 PolarHBondContact O-N 3.41Å; Y125-Q127 PolarHBondContact O-N 2.81Å; Q127-R129 PolarHBondContact O-N 3.47Å; Q127-L130 PolarHBondContact O-N 3.46Å; Q127-L150 HydrophobicContact CG-CD1 4.01Å; Q127-S153 PolarHBondContact NE2-OG 3.32Å
128	K	93.8	Very high	94.6	Very high	181 Å²	181	43.9 Å²	43.9	79%	0.787	24%	0.243	S	C	*	.	H	α-helix	trans	-71.1	-15.5	178.8	-72.3	178.7	-178.3	-174.2	0	114	S124 Y125 L126	S124-K128 VanDerWaalsContact O-CG 3.3Å; S124-K128 WeakPolarHBondContact O-CG 3.21Å; S124-K128 PolarHBondContact O-N 3.32Å; Y125-K128 PolarHBondContact O-N 3.34Å; L126-K128 VanDerWaalsContact C-N 3.35Å; L126-K128 PolarHBondContact O-N 3.08Å
129	R	93.9	Very high	94.6	Very high	143 Å²	143	44.2 Å²	44.2	54%	0.54	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.3	10.7	-177.4	-72	-80.2	-167.2	-119.3	1	112.6	Y125 L126 Q127 A131 N134	Y125-R129 HydrophobicContact CD1-CG 4.47Å; Y125-R129 HydrophobicContact CE1-CG 4.13Å; Y125-R129 WeakPolarHBondContact O-CG 3.45Å; Y125-R129 PolarHBondContact O-N 3.39Å; L126-R129 CarbonylContact O-C 3.52Å; L126-R129 PolarHBondContact O-N 3.09Å; Q127-R129 PolarHBondContact O-N 3.47Å; R129-A131 PolarHBondContact O-N 3.21Å; R129-N134 PolarHBondContact O-ND2 3.41Å
130	L	94.3	Very high	94.5	Very high	32 Å²	32	45.6 Å²	45.6	17%	0.168	25%	0.248	C	C	.	.			trans	-58.5	128.9	175.2	-82.4	166.7	0	0	0	110.5	L126 Q127 C135 I138 A154 F157	L126-L130 PolarHBondContact O-N 3.3Å; Q127-L130 PolarHBondContact O-N 3.46Å; L130-C135 HydrophobicContact CD2-CB 4.2Å; L130-I138 HydrophobicContact CD2-CB 4.18Å; L130-I138 HydrophobicContact CD2-CD1 3.85Å; L130-I138 HydrophobicContact CD2-CG2 4.02Å; L130-I138 HydrophobicContact CG-CD1 4.44Å; L130-A154 HydrophobicContact CD2-CB 4.09Å; L130-F157 HydrophobicContact CB-CD2 4Å; L130-F157 HydrophobicContact CB-CE2 4.27Å; L130-F157 HydrophobicContact CB-CG 4.25Å; L130-F157 HydrophobicContact CD1-CB 4.29Å
131	A	92.9	Very high	94.4	Very high	44 Å²	44	43.4 Å²	43.4	36%	0.364	23%	0.234	S	C	.	.			trans	-148.1	160.9	179.4	0	0	0	0	0	110	R129 G133 N134 C135 F157	R129-A131 PolarHBondContact O-N 3.21Å; A131-G133 PolarHBondContact O-N 2.78Å; A131-G133 VanDerWaalsContact O-N 3.14Å; A131-N134 PolarHBondContact N-OD1 3.37Å; A131-N134 PolarHBondContact O-N 2.73Å; A131-N134 PolarHBondContact O-OD1 3.31Å; A131-C135 VanDerWaalsContact O-CB 3.27Å; A131-C135 WeakPolarHBondContact O-CB 3.48Å; A131-C135 PolarHBondContact O-N 3.43Å; A131-F157 VanDerWaalsContact C-CE1 3.49Å
132	V	92	Very high	94.4	Very high	38 Å²	38	40.5 Å²	40.5	23%	0.23	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-41.2	178.9	175	0	0	0	0	111.6	N134 C135 F157 H161 Q164 I165 E168	V132-N134 PolarHBondContact O-N 3.36Å; V132-C135 PolarHBondContact O-SG 3.47Å; V132-F157 HydrophobicContact CG2-CE1 4.42Å; V132-H161 HydrophobicContact CG2-CB 4.48Å; V132-Q164 HydrophobicContact CG1-CB 4.45Å; V132-I165 HydrophobicContact CG1-CG1 3.89Å; V132-E168 HydrophobicContact CG1-CG 4.15Å
133	G	92.2	Very high	94.2	Very high	58 Å²	58	44.3 Å²	44.3	60%	0.598	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-6.2	-177.9	0	0	0	0	0	116.7	A131	A131-G133 PolarHBondContact O-N 2.78Å; A131-G133 VanDerWaalsContact O-N 3.14Å
134	N	94	Very high	94	Very high	51 Å²	51	51 Å²	51	27%	0.273	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130	-10.6	180	69.9	12.5	0	0	0	114.1	R129 A131 V132 L136 A137 I138	R129-N134 PolarHBondContact O-ND2 3.41Å; A131-N134 PolarHBondContact N-OD1 3.37Å; A131-N134 PolarHBondContact O-N 2.73Å; A131-N134 PolarHBondContact O-OD1 3.31Å; V132-N134 PolarHBondContact O-N 3.36Å; N134-L136 VanDerWaalsContact C-N 3.33Å; N134-L136 PolarHBondContact O-N 2.71Å; N134-A137 PolarHBondContact O-N 3.44Å; N134-A137 VanDerWaalsContact O-N 3.11Å; N134-I138 HydrophobicContact CB-CD1 4.34Å; N134-I138 WeakPolarHBondContact O-CG1 3.42Å; N134-I138 PolarHBondContact O-N 2.62Å
135	C	95.9	Very high	93.8	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-59	-39.1	-172.9	60.4	0	0	0	0	113.6	L130 A131 V132 I138 L139 F157 V158 I165	L130-C135 HydrophobicContact CD2-CB 4.2Å; A131-C135 VanDerWaalsContact O-CB 3.27Å; A131-C135 WeakPolarHBondContact O-CB 3.48Å; A131-C135 PolarHBondContact O-N 3.43Å; V132-C135 PolarHBondContact O-SG 3.47Å; C135-I138 PolarHBondContact O-N 2.89Å; C135-L139 WeakPolarHBondContact O-CB 3.19Å; C135-L139 PolarHBondContact O-N 3.38Å; C135-F157 HydrophobicContact CB-CD1 3.59Å; C135-F157 HydrophobicContact CB-CE1 3.99Å; C135-V158 HydrophobicContact CB-CG2 3.96Å; C135-I165 VanDerWaalsContact SG-CD1 3.55Å
136	L	95.6	Very high	93.6	Very high	8 Å²	8	55 Å²	55	4%	0.042	29%	0.293	C	S	.	.	H	α-helix	trans	-67.9	-38.2	177.7	-63.8	177.7	0	0	0	112	N134 L139 R140 V158 I165 D170 F171 L174 V182	N134-L136 VanDerWaalsContact C-N 3.33Å; N134-L136 PolarHBondContact O-N 2.71Å; L136-L139 PolarHBondContact O-N 2.93Å; L136-R140 WeakPolarHBondContact O-CG 2.83Å; L136-R140 PolarHBondContact O-N 2.9Å; L136-V158 HydrophobicContact CD2-CG1 4.32Å; L136-V158 HydrophobicContact CD2-CG2 3.92Å; L136-I165 HydrophobicContact CD1-CG2 4.03Å; L136-I165 HydrophobicContact CD2-CG2 4.31Å; L136-I165 HydrophobicContact CG-CG2 4.24Å; L136-D170 HydrophobicContact CD1-CB 4.06Å; L136-F171 HydrophobicContact CD1-CB 4.24Å; L136-L174 HydrophobicContact CD1-CD1 4.39Å; L136-L174 HydrophobicContact CD1-CD2 4.34Å; L136-L174 HydrophobicContact CD1-CG 4.48Å; L136-L174 HydrophobicContact CD2-CD1 4.41Å; L136-L174 HydrophobicContact CD2-CD2 4.28Å; L136-V182 HydrophobicContact CD2-CG2 4.4Å
137	A	93.9	Very high	93.5	Very high	43 Å²	43	54.9 Å²	54.9	36%	0.355	29%	0.293	S	S	.	.	H	α-helix	trans	-67.8	-40.8	175.2	0	0	0	0	0	111.5	N134 R140 L141	N134-A137 PolarHBondContact O-N 3.44Å; N134-A137 VanDerWaalsContact O-N 3.11Å; A137-R140 WeakPolarHBondContact O-CB 3.32Å; A137-R140 PolarHBondContact O-N 3.04Å; A137-L141 WeakPolarHBondContact O-CB 3.45Å; A137-L141 PolarHBondContact O-N 2.8Å
138	I	95.3	Very high	93.4	Very high	8 Å²	8	57.2 Å²	57.2	4%	0.041	31%	0.312	C	S	.	.	H	α-helix	trans	-66.1	-38.9	175.6	-66.1	172.8	0	0	0	110.9	L126 L130 N134 C135 L141 G142 L150 A154	L126-I138 HydrophobicContact CB-CG2 4.48Å; L126-I138 HydrophobicContact CD2-CD1 4.41Å; L126-I138 HydrophobicContact CD2-CG1 4.43Å; L130-I138 HydrophobicContact CD2-CB 4.18Å; L130-I138 HydrophobicContact CD2-CD1 3.85Å; L130-I138 HydrophobicContact CD2-CG2 4.02Å; L130-I138 HydrophobicContact CG-CD1 4.44Å; N134-I138 HydrophobicContact CB-CD1 4.34Å; N134-I138 WeakPolarHBondContact O-CG1 3.42Å; N134-I138 PolarHBondContact O-N 2.62Å; C135-I138 PolarHBondContact O-N 2.89Å; I138-L141 PolarHBondContact O-N 3.07Å; I138-G142 PolarHBondContact O-N 3.28Å; I138-L150 HydrophobicContact CG2-CD1 3.59Å; I138-L150 HydrophobicContact CG2-CD2 4.13Å; I138-L150 HydrophobicContact CG2-CG 3.83Å; I138-A154 HydrophobicContact CB-CB 4.49Å; I138-A154 HydrophobicContact CG2-CB 4.11Å
139	L	94.6	Very high	93.4	Very high	7 Å²	7	55.3 Å²	55.3	4%	0.037	30%	0.3	C	S	.	.	H	α-helix	trans	-59.2	-49.2	173.4	176.4	59.5	0	0	0	111	C135 L136 L141 G142 L143 A151 A154 R155 V182	C135-L139 WeakPolarHBondContact O-CB 3.19Å; C135-L139 PolarHBondContact O-N 3.38Å; L136-L139 PolarHBondContact O-N 2.93Å; L139-L141 VanDerWaalsContact C-N 3.34Å; L139-L141 PolarHBondContact O-N 3.09Å; L139-G142 PolarHBondContact O-N 3.4Å; L139-L143 HydrophobicContact CD1-CD1 4.32Å; L139-L143 HydrophobicContact CD1-CG 4.4Å; L139-L143 HydrophobicContact CG-CD1 4.32Å; L139-L143 WeakPolarHBondContact O-CG 3.46Å; L139-L143 PolarHBondContact O-N 3.49Å; L139-A151 HydrophobicContact CD1-CB 4.17Å; L139-A151 VanDerWaalsContact CD1-O 3.28Å; L139-A151 WeakPolarHBondContact CD1-O 3.25Å; L139-A154 HydrophobicContact CB-CB 3.77Å; L139-A154 HydrophobicContact CD1-CB 4.32Å; L139-R155 HydrophobicContact CD1-CB 4.12Å; L139-V182 HydrophobicContact CD2-CG2 4.12Å
140	R	93	Very high	93.5	Very high	79 Å²	79	48.5 Å²	48.5	30%	0.298	27%	0.274	S	S	.	.	H	α-helix	trans	-56.8	-46.5	175.1	-77.4	171.3	175.5	159.1	-3.6	112.2	L136 A137 G142 L143 L144 E178	L136-R140 WeakPolarHBondContact O-CG 2.83Å; L136-R140 PolarHBondContact O-N 2.9Å; A137-R140 WeakPolarHBondContact O-CB 3.32Å; A137-R140 PolarHBondContact O-N 3.04Å; R140-G142 VanDerWaalsContact C-N 3.33Å; R140-G142 PolarHBondContact O-N 3.41Å; R140-L143 PolarHBondContact O-N 2.77Å; R140-L144 WeakPolarHBondContact O-CB 3.43Å; R140-L144 PolarHBondContact O-N 2.98Å; R140-E178 WeakPolarHBondContact CD-OE1 3.2Å; R140-E178 WeakPolarHBondContact CG-OE1 3.43Å; R140-E178 IonicContact CZ-OE1 3.34Å; R140-E178 IonicContact CZ-OE2 2.61Å; R140-E178 IonicContact NE-OE1 2.82Å; R140-E178 PolarHBondContact NE-OE1 3.31Å; R140-E178 IonicContact NE-OE2 2.82Å; R140-E178 PolarHBondContact NE-OE2 3.48Å; R140-E178 IonicContact NH2-OE1 2.96Å; R140-E178 IonicContact NH2-OE2 2.71Å; R140-E178 PolarHBondContact NH2-OE2 3.34Å
141	L	93.3	Very high	93.5	Very high	21 Å²	21	47.2 Å²	47.2	11%	0.11	27%	0.268	C	S	.	.	H	α-helix	trans	-62	-42.4	178.9	-175.3	62.2	0	0	0	111.5	Q104 F107 L126 A137 I138 L139 L143 L144 L145	Q104-L141 HydrophobicContact CG-CD2 4.05Å; F107-L141 HydrophobicContact CD1-CD2 3.95Å; F107-L141 HydrophobicContact CD1-CG 4.06Å; F107-L141 HydrophobicContact CE1-CD2 4.44Å; F107-L141 HydrophobicContact CE1-CG 4.24Å; L126-L141 HydrophobicContact CD1-CD2 3.94Å; A137-L141 WeakPolarHBondContact O-CB 3.45Å; A137-L141 PolarHBondContact O-N 2.8Å; I138-L141 PolarHBondContact O-N 3.07Å; L139-L141 VanDerWaalsContact C-N 3.34Å; L139-L141 PolarHBondContact O-N 3.09Å; L141-L143 VanDerWaalsContact C-N 3.35Å; L141-L143 PolarHBondContact O-N 2.94Å; L141-L144 PolarHBondContact O-N 3.27Å; L141-L145 HydrophobicContact CD1-CD1 3.59Å; L141-L145 HydrophobicContact CD1-CG 4.14Å; L141-L145 HydrophobicContact CG-CD1 4.04Å; L141-L145 WeakPolarHBondContact O-CB 3.43Å; L141-L145 PolarHBondContact O-N 3.06Å
142	G	94	Very high	93.5	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.01	28%	0.278	C	S	.	.	H	α-helix	trans	-62	-39.5	175.2	0	0	0	0	0	113	I138 L139 R140 D146 C147	I138-G142 PolarHBondContact O-N 3.28Å; L139-G142 PolarHBondContact O-N 3.4Å; R140-G142 VanDerWaalsContact C-N 3.33Å; R140-G142 PolarHBondContact O-N 3.41Å; G142-D146 PolarHBondContact O-N 2.95Å; G142-C147 PolarHBondContact O-N 3.46Å
143	L	91.1	Very high	93.6	Very high	81 Å²	81	51.2 Å²	51.2	42%	0.424	28%	0.279	S	S	.	.	H	α-helix	trans	-71	-42.2	175.5	-65.9	172.6	0	0	0	112.1	L139 R140 L141 L145 D146 A151	L139-L143 HydrophobicContact CD1-CD1 4.32Å; L139-L143 HydrophobicContact CD1-CG 4.4Å; L139-L143 HydrophobicContact CG-CD1 4.32Å; L139-L143 WeakPolarHBondContact O-CG 3.46Å; L139-L143 PolarHBondContact O-N 3.49Å; R140-L143 PolarHBondContact O-N 2.77Å; L141-L143 VanDerWaalsContact C-N 3.35Å; L141-L143 PolarHBondContact O-N 2.94Å; L143-L145 PolarHBondContact O-N 3.21Å; L143-D146 PolarHBondContact O-N 3.3Å; L143-A151 HydrophobicContact CD2-CB 4.04Å; L143-A151 HydrophobicContact CG-CB 4.31Å
144	L	91.3	Very high	93.8	Very high	142 Å²	142	48.5 Å²	48.5	74%	0.743	25%	0.25	S	S	*	.	H	α-helix	trans	-63.9	-39.3	-178.9	-179.2	67.2	0	0	0	112.4	R140 L141 D146	R140-L144 WeakPolarHBondContact O-CB 3.43Å; R140-L144 PolarHBondContact O-N 2.98Å; L141-L144 PolarHBondContact O-N 3.27Å; L144-D146 VanDerWaalsContact C-N 3.33Å
145	L	91.1	Very high	93.9	Very high	30 Å²	30	49.7 Å²	49.7	16%	0.157	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	10.8	-178.1	-64	176.6	0	0	0	113.4	F107 A108 L141 L143 C147	F107-L145 HydrophobicContact CD1-CD1 3.2Å; F107-L145 HydrophobicContact CE1-CB 4.36Å; F107-L145 HydrophobicContact CE1-CD1 3.36Å; F107-L145 HydrophobicContact CE1-CG 4.47Å; F107-L145 HydrophobicContact CG-CD1 3.9Å; F107-L145 HydrophobicContact CZ-CD1 4.17Å; A108-L145 HydrophobicContact CB-CD2 4.35Å; L141-L145 HydrophobicContact CD1-CD1 3.59Å; L141-L145 HydrophobicContact CD1-CG 4.14Å; L141-L145 HydrophobicContact CG-CD1 4.04Å; L141-L145 WeakPolarHBondContact O-CB 3.43Å; L141-L145 PolarHBondContact O-N 3.06Å; L143-L145 PolarHBondContact O-N 3.21Å; L145-C147 VanDerWaalsContact C-N 3.29Å; L145-C147 PolarHBondContact O-N 3.28Å
146	D	91	Very high	93.8	Very high	136 Å²	136	52.6 Å²	52.6	73%	0.727	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.3	52.1	-176.5	-164.2	26.4	0	0	0	112.2	G142 L143 L144 P148	G142-D146 PolarHBondContact O-N 2.95Å; L143-D146 PolarHBondContact O-N 3.3Å; L144-D146 VanDerWaalsContact C-N 3.33Å; D146-P148 VanDerWaalsContact C-CD 3.47Å; D146-P148 WeakPolarHBondContact O-CD 3.39Å
147	C	94.3	Very high	93.8	Very high	6 Å²	6	54.1 Å²	54.1	4%	0.041	27%	0.273	C	S	.	.			trans	-110.3	84.8	176.4	-171.3	0	0	0	0	110.2	F107 F119 G142 L145 R149 L150 A151	F107-C147 HydrophobicContact CZ-CB 4.08Å; F119-C147 HydrophobicContact CZ-CB 3.92Å; G142-C147 PolarHBondContact O-N 3.46Å; L145-C147 VanDerWaalsContact C-N 3.29Å; L145-C147 PolarHBondContact O-N 3.28Å; C147-R149 PolarHBondContact O-N 2.92Å; C147-L150 HydrophobicContact CB-CB 4.16Å; C147-L150 PolarHBondContact O-N 3.06Å; C147-L150 VanDerWaalsContact O-N 3.14Å; C147-A151 PolarHBondContact O-N 3.25Å
148	P	93.1	Very high	93.9	Very high	93 Å²	93	52.1 Å²	52.1	60%	0.604	26%	0.256	S	S	*	.	H	α-helix	trans	-56.1	-36.7	-178.6	-27	32.9	0	0	0	113.3	D146 L150 A151 F152	D146-P148 VanDerWaalsContact C-CD 3.47Å; D146-P148 WeakPolarHBondContact O-CD 3.39Å; P148-L150 PolarHBondContact O-N 3.11Å; P148-A151 PolarHBondContact O-N 3.36Å; P148-F152 WeakPolarHBondContact O-CB 3.49Å; P148-F152 PolarHBondContact O-N 2.93Å
149	R	94.5	Very high	93.8	Very high	140 Å²	140	51.7 Å²	51.7	53%	0.528	25%	0.254	S	S	.	.	H	α-helix	trans	-61	-46	179.2	-177.3	178	172.1	-168.6	-6.4	112	V123 C147 S153	V123-R149 HydrophobicContact CG1-CG 4.46Å; C147-R149 PolarHBondContact O-N 2.92Å; R149-S153 PolarHBondContact O-N 2.97Å; R149-S153 PolarHBondContact O-OG 3.04Å
150	L	95.8	Very high	93.7	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-71.6	-44.5	179.2	-176.3	63.4	0	0	0	111.1	F107 V123 L126 Q127 I138 C147 P148 F152 S153 A154	F107-L150 HydrophobicContact CE1-CD2 3.65Å; F107-L150 HydrophobicContact CZ-CD2 4.09Å; V123-L150 HydrophobicContact CG1-CB 4.39Å; L126-L150 HydrophobicContact CB-CD1 3.86Å; L126-L150 HydrophobicContact CD1-CD2 3.79Å; Q127-L150 HydrophobicContact CG-CD1 4.01Å; I138-L150 HydrophobicContact CG2-CD1 3.59Å; I138-L150 HydrophobicContact CG2-CD2 4.13Å; I138-L150 HydrophobicContact CG2-CG 3.83Å; C147-L150 HydrophobicContact CB-CB 4.16Å; C147-L150 PolarHBondContact O-N 3.06Å; C147-L150 VanDerWaalsContact O-N 3.14Å; P148-L150 PolarHBondContact O-N 3.11Å; L150-F152 VanDerWaalsContact C-N 3.33Å; L150-F152 PolarHBondContact O-N 2.94Å; L150-S153 PolarHBondContact O-N 3.41Å; L150-A154 WeakPolarHBondContact O-CB 3.48Å; L150-A154 PolarHBondContact O-N 2.81Å
151	A	94.3	Very high	93.7	Very high	6 Å²	6	50 Å²	50	5%	0.05	25%	0.25	C	C	.	.	H	α-helix	trans	-61.1	-41.7	178.4	0	0	0	0	0	112	L139 L143 C147 P148 A154 R155	L139-A151 HydrophobicContact CD1-CB 4.17Å; L139-A151 VanDerWaalsContact CD1-O 3.28Å; L139-A151 WeakPolarHBondContact CD1-O 3.25Å; L143-A151 HydrophobicContact CD2-CB 4.04Å; L143-A151 HydrophobicContact CG-CB 4.31Å; C147-A151 PolarHBondContact O-N 3.25Å; P148-A151 PolarHBondContact O-N 3.36Å; A151-A154 PolarHBondContact O-N 2.83Å; A151-R155 VanDerWaalsContact O-CB 3.31Å; A151-R155 WeakPolarHBondContact O-CB 3.36Å; A151-R155 PolarHBondContact O-N 2.96Å
152	F	93.5	Very high	93.8	Very high	132 Å²	132	49 Å²	49	58%	0.579	24%	0.244	S	C	*	.	H	α-helix	trans	-63.2	-50.2	176.4	-175.6	-91	0	0	0	111.3	P148 L150 A154 R155 D156	P148-F152 WeakPolarHBondContact O-CB 3.49Å; P148-F152 PolarHBondContact O-N 2.93Å; L150-F152 VanDerWaalsContact C-N 3.33Å; L150-F152 PolarHBondContact O-N 2.94Å; F152-A154 VanDerWaalsContact C-N 3.31Å; F152-A154 PolarHBondContact O-N 3.02Å; F152-R155 PolarHBondContact O-N 3.42Å; F152-D156 WeakPolarHBondContact O-CB 3.42Å; F152-D156 PolarHBondContact O-N 3.35Å
153	S	95.1	Very high	93.7	Very high	34 Å²	34	51.6 Å²	51.6	24%	0.238	26%	0.26	C	S	.	.	H	α-helix	trans	-59.6	-40.8	177.5	-64.2	0	0	0	0	112.9	Q127 R149 L150 F157	Q127-S153 PolarHBondContact NE2-OG 3.32Å; R149-S153 PolarHBondContact O-N 2.97Å; R149-S153 PolarHBondContact O-OG 3.04Å; L150-S153 PolarHBondContact O-N 3.41Å; S153-F157 WeakPolarHBondContact O-CB 3.24Å; S153-F157 PolarHBondContact O-N 3.3Å
154	A	96.1	Very high	93.7	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-67.6	-40.6	176.8	0	0	0	0	0	111.9	L130 I138 L139 L150 A151 F152 F157 V158	L130-A154 HydrophobicContact CD2-CB 4.09Å; I138-A154 HydrophobicContact CB-CB 4.49Å; I138-A154 HydrophobicContact CG2-CB 4.11Å; L139-A154 HydrophobicContact CB-CB 3.77Å; L139-A154 HydrophobicContact CD1-CB 4.32Å; L150-A154 WeakPolarHBondContact O-CB 3.48Å; L150-A154 PolarHBondContact O-N 2.81Å; A151-A154 PolarHBondContact O-N 2.83Å; F152-A154 VanDerWaalsContact C-N 3.31Å; F152-A154 PolarHBondContact O-N 3.02Å; A154-F157 PolarHBondContact O-N 3.11Å; A154-V158 WeakPolarHBondContact O-CG2 3.44Å; A154-V158 PolarHBondContact O-N 3.4Å
155	R	94.9	Very high	93.9	Very high	77 Å²	77	46 Å²	46	29%	0.291	23%	0.228	S	C	.	.	H	α-helix	trans	-66.3	-40.3	177	-173.3	-176.4	-64	147.7	1.2	112.2	L139 A151 F152 V158 S159	L139-R155 HydrophobicContact CD1-CB 4.12Å; A151-R155 VanDerWaalsContact O-CB 3.31Å; A151-R155 WeakPolarHBondContact O-CB 3.36Å; A151-R155 PolarHBondContact O-N 2.96Å; F152-R155 PolarHBondContact O-N 3.42Å; R155-V158 PolarHBondContact O-N 2.88Å; R155-S159 WeakPolarHBondContact O-CB 3.44Å; R155-S159 PolarHBondContact O-N 3.43Å; R155-S159 PolarHBondContact O-OG 3.41Å
156	D	93.8	Very high	94	Very high	60 Å²	60	45 Å²	45	32%	0.321	22%	0.224	S	C	.	.	H	α-helix	trans	-64.2	-45.7	177.3	-161.6	45.7	0	0	0	110.3	F152 V158 S159 D160	F152-D156 WeakPolarHBondContact O-CB 3.42Å; F152-D156 PolarHBondContact O-N 3.35Å; D156-V158 VanDerWaalsContact C-N 3.33Å; D156-V158 PolarHBondContact O-N 3.39Å; D156-S159 WeakPolarHBondContact O-CB 3.46Å; D156-S159 PolarHBondContact O-N 2.91Å; D156-D160 PolarHBondContact O-N 2.94Å
157	F	95.1	Very high	94.1	Very high	41 Å²	41	45.2 Å²	45.2	18%	0.18	22%	0.218	C	C	.	.	H	α-helix	trans	-57.3	-44.4	172.5	-174.3	-83.9	0	0	0	112.5	L130 A131 V132 C135 S153 A154 S159 D160 H161	L130-F157 HydrophobicContact CB-CD2 4Å; L130-F157 HydrophobicContact CB-CE2 4.27Å; L130-F157 HydrophobicContact CB-CG 4.25Å; L130-F157 HydrophobicContact CD1-CB 4.29Å; A131-F157 VanDerWaalsContact C-CE1 3.49Å; V132-F157 HydrophobicContact CG2-CE1 4.42Å; C135-F157 HydrophobicContact CB-CD1 3.59Å; C135-F157 HydrophobicContact CB-CE1 3.99Å; S153-F157 WeakPolarHBondContact O-CB 3.24Å; S153-F157 PolarHBondContact O-N 3.3Å; A154-F157 PolarHBondContact O-N 3.11Å; F157-S159 VanDerWaalsContact C-N 3.3Å; F157-S159 PolarHBondContact O-N 2.92Å; F157-D160 PolarHBondContact O-N 2.86Å; F157-H161 AromaticContact CD2-CE1 3.97Å; F157-H161 AromaticContact CD2-ND1 3.96Å; F157-H161 HydrophobicContact CE1-CB 4.46Å; F157-H161 AromaticContact CE1-ND1 3.85Å; F157-H161 AromaticContact CE2-CE1 3.59Å; F157-H161 AromaticContact CE2-ND1 3.81Å; F157-H161 AromaticContact CZ-CE1 3.8Å; F157-H161 AromaticContact CZ-ND1 3.74Å; F157-H161 PolarHBondContact O-N 2.77Å; F157-H161 VanDerWaalsContact O-N 3.09Å; F157-H161 PolarHBondContact O-ND1 3.3Å
158	V	95.9	Very high	94.1	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-62.3	-40.2	176	171.2	0	0	0	0	111.2	C135 L136 A154 R155 D156 H161 F162 I165 V182	C135-V158 HydrophobicContact CB-CG2 3.96Å; L136-V158 HydrophobicContact CD2-CG1 4.32Å; L136-V158 HydrophobicContact CD2-CG2 3.92Å; A154-V158 WeakPolarHBondContact O-CG2 3.44Å; A154-V158 PolarHBondContact O-N 3.4Å; R155-V158 PolarHBondContact O-N 2.88Å; D156-V158 VanDerWaalsContact C-N 3.33Å; D156-V158 PolarHBondContact O-N 3.39Å; V158-H161 CarbonylContact O-C 3.52Å; V158-H161 PolarHBondContact O-N 2.85Å; V158-F162 VanDerWaalsContact O-CA 3.31Å; V158-F162 WeakPolarHBondContact O-CA 3.31Å; V158-F162 PolarHBondContact O-N 2.94Å; V158-I165 HydrophobicContact CB-CD1 4.12Å; V158-I165 HydrophobicContact CG1-CD1 4.13Å; V158-I165 HydrophobicContact CG2-CD1 4.08Å; V158-V182 HydrophobicContact CG1-CB 4.46Å; V158-V182 HydrophobicContact CG1-CG1 3.56Å; V158-V182 HydrophobicContact CG1-CG2 4.18Å
159	S	94.9	Very high	94	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-64	-43.9	179.6	-59.1	0	0	0	0	111	R155 D156 F157 H161 N189	R155-S159 WeakPolarHBondContact O-CB 3.44Å; R155-S159 PolarHBondContact O-N 3.43Å; R155-S159 PolarHBondContact O-OG 3.41Å; D156-S159 WeakPolarHBondContact O-CB 3.46Å; D156-S159 PolarHBondContact O-N 2.91Å; F157-S159 VanDerWaalsContact C-N 3.3Å; F157-S159 PolarHBondContact O-N 2.92Å; S159-H161 PolarHBondContact O-N 3.2Å; S159-N189 VanDerWaalsContact O-CB 3.25Å; S159-N189 WeakPolarHBondContact O-CB 3.47Å; S159-N189 PolarHBondContact O-N 3.13Å
160	D	92.3	Very high	93.9	Very high	19 Å²	19	48.9 Å²	48.9	10%	0.102	24%	0.235	C	C	.	.	H	α-helix	trans	-66.1	-34.3	179.3	-81	-9	0	0	0	113.4	D156 F157 N189 I374 K602	D156-D160 PolarHBondContact O-N 2.94Å; F157-D160 PolarHBondContact O-N 2.86Å; D160-N189 PolarHBondContact O-ND2 2.84Å; D160-I374 HydrophobicContact CB-CD1 4.37Å; D160-I374 HydrophobicContact CB-CG2 3.69Å; D160-I374 WeakPolarHBondContact O-CD1 3.36Å; D160-I374 VanDerWaalsContact OD2-CG2 3.28Å; D160-I374 WeakPolarHBondContact OD2-CG2 3.4Å; D160-K602 VanDerWaalsContact OD1-CE 3.28Å; D160-K602 WeakPolarHBondContact OD1-CE 3.49Å; D160-K602 IonicContact OD1-NZ 3.93Å; D160-K602 PolarHBondContact OD1-NZ 3.33Å; D160-K602 IonicContact OD2-NZ 3.29Å; D160-K602 PolarHBondContact OD2-NZ 3.43Å
161	H	92.9	Very high	93.9	Very high	30 Å²	30	48.9 Å²	48.9	14%	0.139	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.1	16.8	-175.5	-61.4	84	0	0	0	113.9	V132 F157 V158 S159 V163 Q164 I165	V132-H161 HydrophobicContact CG2-CB 4.48Å; F157-H161 AromaticContact CD2-CE1 3.97Å; F157-H161 AromaticContact CD2-ND1 3.96Å; F157-H161 HydrophobicContact CE1-CB 4.46Å; F157-H161 AromaticContact CE1-ND1 3.85Å; F157-H161 AromaticContact CE2-CE1 3.59Å; F157-H161 AromaticContact CE2-ND1 3.81Å; F157-H161 AromaticContact CZ-CE1 3.8Å; F157-H161 AromaticContact CZ-ND1 3.74Å; F157-H161 PolarHBondContact O-N 2.77Å; F157-H161 VanDerWaalsContact O-N 3.09Å; F157-H161 PolarHBondContact O-ND1 3.3Å; V158-H161 CarbonylContact O-C 3.52Å; V158-H161 PolarHBondContact O-N 2.85Å; S159-H161 PolarHBondContact O-N 3.2Å; H161-V163 VanDerWaalsContact C-N 3.27Å; H161-V163 PolarHBondContact O-N 3.3Å; H161-V163 VanDerWaalsContact O-N 3.11Å; H161-Q164 PolarHBondContact O-N 2.87Å; H161-I165 HydrophobicContact CB-CD1 3.77Å; H161-I165 HydrophobicContact CB-CG1 4.29Å; H161-I165 PolarHBondContact O-N 2.91Å
162	F	94.9	Very high	93.9	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-53.4	-40.1	-171	178.7	-97.7	0	0	0	113.9	V158 Q164 I165 C166 F171 V182 I183 L188 V190 V196 A199	V158-F162 VanDerWaalsContact O-CA 3.31Å; V158-F162 WeakPolarHBondContact O-CA 3.31Å; V158-F162 PolarHBondContact O-N 2.94Å; F162-Q164 PolarHBondContact O-N 3.14Å; F162-I165 PolarHBondContact O-N 2.79Å; F162-C166 HydrophobicContact CE1-CB 4.15Å; F162-C166 HydrophobicContact CE2-CB 4.25Å; F162-C166 HydrophobicContact CZ-CB 4.01Å; F162-C166 WeakPolarHBondContact O-CB 3.17Å; F162-C166 PolarHBondContact O-N 2.84Å; F162-C166 PolarHBondContact O-SG 2.86Å; F162-F171 AromaticContact CE2-CE2 3.84Å; F162-F171 HydrophobicContact CE2-CE2 3.84Å; F162-F171 HydrophobicContact CE2-CZ 4Å; F162-F171 HydrophobicContact CZ-CZ 4.36Å; F162-V182 HydrophobicContact CD2-CG1 4.15Å; F162-V182 HydrophobicContact CE2-CG1 4.14Å; F162-I183 HydrophobicContact CE2-CG2 3.85Å; F162-I183 HydrophobicContact CZ-CG2 4.12Å; F162-L188 HydrophobicContact CB-CD1 3.7Å; F162-L188 HydrophobicContact CB-CG 4.25Å; F162-L188 HydrophobicContact CD1-CD1 4.33Å; F162-L188 HydrophobicContact CD1-CD2 4.31Å; F162-L188 HydrophobicContact CD1-CG 4.34Å; F162-L188 HydrophobicContact CD2-CD1 3.57Å; F162-L188 HydrophobicContact CD2-CD2 4.49Å; F162-L188 HydrophobicContact CD2-CG 4.39Å; F162-L188 HydrophobicContact CE1-CD2 4.35Å; F162-L188 HydrophobicContact CE2-CD1 4.25Å; F162-L188 HydrophobicContact CG-CD1 3.59Å; F162-L188 HydrophobicContact CG-CD2 4.35Å; F162-L188 HydrophobicContact CG-CG 4.06Å; F162-L188 HydrophobicContact CZ-CD2 4.45Å; F162-V190 HydrophobicContact CB-CG1 4.49Å; F162-V190 HydrophobicContact CD1-CG1 3.31Å; F162-V190 HydrophobicContact CE1-CG1 3.85Å; F162-V190 HydrophobicContact CG-CG1 4.23Å; F162-V196 HydrophobicContact CE1-CG2 3.94Å; F162-V196 HydrophobicContact CZ-CG2 4.29Å; F162-A199 HydrophobicContact CZ-CB 4.11Å
163	V	91.7	Very high	93.9	Very high	56 Å²	56	49.1 Å²	49.1	34%	0.339	24%	0.237	S	C	.	.	H	α-helix	trans	-61.4	-28.5	-179.3	179.5	0	0	0	0	112.7	H161 C166 K167 V190 L195	H161-V163 VanDerWaalsContact C-N 3.27Å; H161-V163 PolarHBondContact O-N 3.3Å; H161-V163 VanDerWaalsContact O-N 3.11Å; V163-C166 PolarHBondContact O-SG 3.19Å; V163-K167 VanDerWaalsContact O-CE 3.24Å; V163-K167 WeakPolarHBondContact O-CE 3.48Å; V163-V190 HydrophobicContact CG2-CG1 4.28Å; V163-L195 HydrophobicContact CG2-CD1 4.34Å
164	Q	91.3	Very high	93.8	Very high	106 Å²	106	47.7 Å²	47.7	50%	0.495	23%	0.226	S	C	.	.	H	α-helix	trans	-84.2	-51.6	174	-63.4	174.4	-4.8	0	0	110	V132 H161 F162 C166 K167	V132-Q164 HydrophobicContact CG1-CB 4.45Å; H161-Q164 PolarHBondContact O-N 2.87Å; F162-Q164 PolarHBondContact O-N 3.14Å; Q164-C166 VanDerWaalsContact C-N 3.33Å; Q164-C166 PolarHBondContact O-N 3.06Å; Q164-K167 WeakPolarHBondContact O-CB 3.41Å; Q164-K167 PolarHBondContact O-N 2.89Å; Q164-K167 VanDerWaalsContact O-N 3.1Å
165	I	95.1	Very high	93.7	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-61	-38	-174.6	-66.2	163.8	0	0	0	112.4	V132 C135 L136 V158 H161 F162 K167 E168 F171	V132-I165 HydrophobicContact CG1-CG1 3.89Å; C135-I165 VanDerWaalsContact SG-CD1 3.55Å; L136-I165 HydrophobicContact CD1-CG2 4.03Å; L136-I165 HydrophobicContact CD2-CG2 4.31Å; L136-I165 HydrophobicContact CG-CG2 4.24Å; V158-I165 HydrophobicContact CB-CD1 4.12Å; V158-I165 HydrophobicContact CG1-CD1 4.13Å; V158-I165 HydrophobicContact CG2-CD1 4.08Å; H161-I165 HydrophobicContact CB-CD1 3.77Å; H161-I165 HydrophobicContact CB-CG1 4.29Å; H161-I165 PolarHBondContact O-N 2.91Å; F162-I165 PolarHBondContact O-N 2.79Å; I165-K167 PolarHBondContact O-N 3.47Å; I165-E168 WeakPolarHBondContact O-CB 3.36Å; I165-E168 PolarHBondContact O-N 3.36Å; I165-F171 HydrophobicContact CG2-CD2 4.1Å; I165-F171 VanDerWaalsContact O-CB 3.31Å; I165-F171 WeakPolarHBondContact O-CB 3.43Å
166	C	94.6	Very high	93.6	Very high	9 Å²	9	47.3 Å²	47.3	6%	0.061	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-7.9	-179.8	70.5	0	0	0	0	114.5	F162 V163 Q164 F171 M172 A199 R202	F162-C166 HydrophobicContact CE1-CB 4.15Å; F162-C166 HydrophobicContact CE2-CB 4.25Å; F162-C166 HydrophobicContact CZ-CB 4.01Å; F162-C166 WeakPolarHBondContact O-CB 3.17Å; F162-C166 PolarHBondContact O-N 2.84Å; F162-C166 PolarHBondContact O-SG 2.86Å; V163-C166 PolarHBondContact O-SG 3.19Å; Q164-C166 VanDerWaalsContact C-N 3.33Å; Q164-C166 PolarHBondContact O-N 3.06Å; C166-F171 HydrophobicContact CB-CD1 4.48Å; C166-F171 HydrophobicContact CB-CE1 4.31Å; C166-F171 HydrophobicContact CB-CE2 4.41Å; C166-F171 HydrophobicContact CB-CZ 4.26Å; C166-M172 WeakPolarHBondContact O-CE 3.41Å; C166-A199 HydrophobicContact CB-CB 3.89Å; C166-R202 PolarHBondContact O-NH1 3.04Å
167	K	92.4	Very high	93.5	Very high	141 Å²	141	50.6 Å²	50.6	61%	0.613	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-17.1	175.6	-60.6	172.2	-175.3	165.2	0	112.7	V163 Q164 I165	V163-K167 VanDerWaalsContact O-CE 3.24Å; V163-K167 WeakPolarHBondContact O-CE 3.48Å; Q164-K167 WeakPolarHBondContact O-CB 3.41Å; Q164-K167 PolarHBondContact O-N 2.89Å; Q164-K167 VanDerWaalsContact O-N 3.1Å; I165-K167 PolarHBondContact O-N 3.47Å
168	E	93.6	Very high	93.4	Very high	93 Å²	93	49.8 Å²	49.8	44%	0.435	25%	0.247	S	C	.	.	S	Bend	trans	-73.2	153.7	-178.4	-62.7	-59.2	147.6	0	0	112	V132 I165 D170 F171	V132-E168 HydrophobicContact CG1-CG 4.15Å; I165-E168 WeakPolarHBondContact O-CB 3.36Å; I165-E168 PolarHBondContact O-N 3.36Å; E168-D170 VanDerWaalsContact C-N 3.35Å; E168-F171 PolarHBondContact O-N 3.47Å
169	E	91.6	Very high	93.3	Very high	152 Å²	152	49.8 Å²	49.8	71%	0.71	25%	0.247	S	C	*	.	H	α-helix	trans	-65.9	-37.6	178.4	-67.6	-168.2	171.4	0	0	112.2	F171 M172 Q173	E169-F171 PolarHBondContact O-N 2.94Å; E169-M172 WeakPolarHBondContact O-CA 3.35Å; E169-M172 VanDerWaalsContact O-CB 3.31Å; E169-M172 WeakPolarHBondContact O-CB 3.34Å; E169-M172 PolarHBondContact O-N 3.36Å; E169-Q173 PolarHBondContact O-N 3.01Å
170	D	92.7	Very high	93.3	Very high	71 Å²	71	51.8 Å²	51.8	38%	0.38	26%	0.257	S	S	.	.	H	α-helix	trans	-59.3	-34.4	179.4	-73.9	-6.1	0	0	0	112.5	L136 E168 M172 Q173 L174	L136-D170 HydrophobicContact CD1-CB 4.06Å; E168-D170 VanDerWaalsContact C-N 3.35Å; D170-M172 VanDerWaalsContact C-N 3.3Å; D170-M172 PolarHBondContact O-N 3.47Å; D170-Q173 PolarHBondContact O-N 3.44Å; D170-Q173 VanDerWaalsContact O-N 3.11Å; D170-L174 PolarHBondContact O-N 3.14Å
171	F	95.3	Very high	93.2	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-63.8	-38.7	174.1	-176.4	-88.2	0	0	0	111.4	L136 F162 I165 C166 E168 E169 Q173 L174 L179 V182 A199	L136-F171 HydrophobicContact CD1-CB 4.24Å; F162-F171 AromaticContact CE2-CE2 3.84Å; F162-F171 HydrophobicContact CE2-CE2 3.84Å; F162-F171 HydrophobicContact CE2-CZ 4Å; F162-F171 HydrophobicContact CZ-CZ 4.36Å; I165-F171 HydrophobicContact CG2-CD2 4.1Å; I165-F171 VanDerWaalsContact O-CB 3.31Å; I165-F171 WeakPolarHBondContact O-CB 3.43Å; C166-F171 HydrophobicContact CB-CD1 4.48Å; C166-F171 HydrophobicContact CB-CE1 4.31Å; C166-F171 HydrophobicContact CB-CE2 4.41Å; C166-F171 HydrophobicContact CB-CZ 4.26Å; E168-F171 PolarHBondContact O-N 3.47Å; E169-F171 PolarHBondContact O-N 2.94Å; F171-Q173 PolarHBondContact O-N 3.49Å; F171-L174 HydrophobicContact CB-CD1 4.5Å; F171-L174 HydrophobicContact CD2-CD1 3.58Å; F171-L174 HydrophobicContact CE2-CD1 3.91Å; F171-L174 HydrophobicContact CG-CD1 4.04Å; F171-L174 WeakPolarHBondContact O-CB 3.38Å; F171-L174 WeakPolarHBondContact O-CD1 3.4Å; F171-L174 WeakPolarHBondContact O-CG 3.3Å; F171-L174 PolarHBondContact O-N 3.2Å; F171-L179 HydrophobicContact CE1-CD1 3.93Å; F171-L179 HydrophobicContact CE2-CD1 3.94Å; F171-L179 HydrophobicContact CZ-CD1 3.37Å; F171-V182 HydrophobicContact CE2-CG1 4.07Å; F171-A199 HydrophobicContact CE1-CB 4.13Å; F171-A199 HydrophobicContact CZ-CB 4.31Å
172	M	94.1	Very high	93.3	Very high	21 Å²	21	50.7 Å²	50.7	10%	0.103	25%	0.254	C	S	.	.	H	α-helix	trans	-67.6	-17.5	176.8	-55.9	-58.7	146.4	0	0	112.2	C166 E169 D170 R202 W203 R211	C166-M172 WeakPolarHBondContact O-CE 3.41Å; E169-M172 WeakPolarHBondContact O-CA 3.35Å; E169-M172 VanDerWaalsContact O-CB 3.31Å; E169-M172 WeakPolarHBondContact O-CB 3.34Å; E169-M172 PolarHBondContact O-N 3.36Å; D170-M172 VanDerWaalsContact C-N 3.3Å; D170-M172 PolarHBondContact O-N 3.47Å; M172-R202 HydrophobicContact CE-CB 4.38Å; M172-R202 VanDerWaalsContact CE-CD 3.49Å; M172-R202 HydrophobicContact CE-CG 4.03Å; M172-R202 HydrophobicContact SD-CB 4.25Å; M172-R202 HydrophobicContact SD-CG 3.91Å; M172-W203 HydrophobicContact SD-CB 4.43Å; M172-R211 PolarHBondContact O-NH1 2.82Å; M172-R211 PolarHBondContact O-NH2 2.98Å
173	Q	92.9	Very high	93.3	Very high	121 Å²	121	50.7 Å²	50.7	57%	0.565	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-1.6	178.8	-61.2	-178.3	14.1	0	0	113.6	E169 D170 F171	E169-Q173 PolarHBondContact O-N 3.01Å; D170-Q173 PolarHBondContact O-N 3.44Å; D170-Q173 VanDerWaalsContact O-N 3.11Å; F171-Q173 PolarHBondContact O-N 3.49Å
174	L	94	Very high	93.4	Very high	4 Å²	4	51.2 Å²	51.2	2%	0.021	26%	0.258	C	S	.	.			trans	-58.7	139.1	177.9	-69.1	169	0	0	0	111.9	L136 D170 F171 E178 L179 W203	L136-L174 HydrophobicContact CD1-CD1 4.39Å; L136-L174 HydrophobicContact CD1-CD2 4.34Å; L136-L174 HydrophobicContact CD1-CG 4.48Å; L136-L174 HydrophobicContact CD2-CD1 4.41Å; L136-L174 HydrophobicContact CD2-CD2 4.28Å; D170-L174 PolarHBondContact O-N 3.14Å; F171-L174 HydrophobicContact CB-CD1 4.5Å; F171-L174 HydrophobicContact CD2-CD1 3.58Å; F171-L174 HydrophobicContact CE2-CD1 3.91Å; F171-L174 HydrophobicContact CG-CD1 4.04Å; F171-L174 WeakPolarHBondContact O-CB 3.38Å; F171-L174 WeakPolarHBondContact O-CD1 3.4Å; F171-L174 WeakPolarHBondContact O-CG 3.3Å; F171-L174 PolarHBondContact O-N 3.2Å; L174-E178 HydrophobicContact CB-CB 4.32Å; L174-E178 HydrophobicContact CD2-CB 3.84Å; L174-L179 HydrophobicContact CB-CB 4.35Å; L174-L179 HydrophobicContact CD1-CD1 4.34Å; L174-W203 PolarHBondContact O-NE1 3.39Å
175	A	92.8	Very high	93.4	Very high	32 Å²	32	47.5 Å²	47.5	26%	0.264	24%	0.243	S	C	.	.			trans	-72	159.5	167.2	0	0	0	0	0	110.2	H177 E178 L179	A175-H177 VanDerWaalsContact C-N 3.33Å; A175-H177 PolarHBondContact O-N 3.38Å; A175-E178 HydrophobicContact CB-CG 4.1Å; A175-E178 PolarHBondContact N-OE2 3.23Å; A175-E178 WeakPolarHBondContact O-CB 3.36Å; A175-E178 PolarHBondContact O-N 3.18Å; A175-E178 VanDerWaalsContact O-N 3.09Å; A175-L179 PolarHBondContact O-N 3.03Å
176	P	93.8	Very high	93.3	Very high	37 Å²	37	50.9 Å²	50.9	24%	0.24	26%	0.261	C	S	.	.	H	α-helix	trans	-55.3	-43.9	-175.4	-24.8	31.4	0	0	0	114.1	E178 L179 I180 W203	P176-E178 VanDerWaalsContact C-N 3.34Å; P176-E178 PolarHBondContact O-N 3.33Å; P176-L179 PolarHBondContact O-N 2.83Å; P176-I180 VanDerWaalsContact O-CG1 3.29Å; P176-I180 WeakPolarHBondContact O-CG1 3.28Å; P176-I180 PolarHBondContact O-N 3.05Å; P176-W203 HydrophobicContact CB-CH2 4.14Å; P176-W203 HydrophobicContact CB-CZ2 4.45Å; P176-W203 HydrophobicContact CG-CH2 3.94Å; P176-W203 HydrophobicContact CG-CZ2 4.11Å
177	H	91.5	Very high	93.2	Very high	129 Å²	129	51.9 Å²	51.9	60%	0.597	27%	0.268	S	S	*	.	H	α-helix	trans	-66.6	-34.9	179.5	67.1	-85.3	0	0	0	112.7	A175 S181	A175-H177 VanDerWaalsContact C-N 3.33Å; A175-H177 PolarHBondContact O-N 3.38Å; H177-S181 PolarHBondContact O-N 3.14Å; H177-S181 VanDerWaalsContact O-N 3.1Å
178	E	92.2	Very high	93.2	Very high	24 Å²	24	45.2 Å²	45.2	11%	0.112	24%	0.239	C	C	.	.	H	α-helix	trans	-68.2	-45.7	176.1	-54.3	-179.5	122.9	0	0	110.3	R140 L174 A175 P176 I180 S181 V182	R140-E178 WeakPolarHBondContact CD-OE1 3.2Å; R140-E178 WeakPolarHBondContact CG-OE1 3.43Å; R140-E178 IonicContact CZ-OE1 3.34Å; R140-E178 IonicContact CZ-OE2 2.61Å; R140-E178 IonicContact NE-OE1 2.82Å; R140-E178 PolarHBondContact NE-OE1 3.31Å; R140-E178 IonicContact NE-OE2 2.82Å; R140-E178 PolarHBondContact NE-OE2 3.48Å; R140-E178 IonicContact NH2-OE1 2.96Å; R140-E178 IonicContact NH2-OE2 2.71Å; R140-E178 PolarHBondContact NH2-OE2 3.34Å; L174-E178 HydrophobicContact CB-CB 4.32Å; L174-E178 HydrophobicContact CD2-CB 3.84Å; A175-E178 HydrophobicContact CB-CG 4.1Å; A175-E178 PolarHBondContact N-OE2 3.23Å; A175-E178 WeakPolarHBondContact O-CB 3.36Å; A175-E178 PolarHBondContact O-N 3.18Å; A175-E178 VanDerWaalsContact O-N 3.09Å; P176-E178 VanDerWaalsContact C-N 3.34Å; P176-E178 PolarHBondContact O-N 3.33Å; E178-I180 PolarHBondContact O-N 2.59Å; E178-S181 WeakPolarHBondContact O-CB 3.49Å; E178-S181 PolarHBondContact O-N 3.08Å; E178-S181 VanDerWaalsContact O-N 3.13Å; E178-S181 PolarHBondContact O-OG 3.38Å; E178-V182 WeakPolarHBondContact O-CG2 3.25Å; E178-V182 PolarHBondContact O-N 3.49Å; E178-V182 VanDerWaalsContact O-N 3.12Å
179	L	94.9	Very high	93.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-59	-46.9	177.3	179.1	63.1	0	0	0	111.2	F171 L174 A175 P176 S181 V182 I183 W203 V218	F171-L179 HydrophobicContact CE1-CD1 3.93Å; F171-L179 HydrophobicContact CE2-CD1 3.94Å; F171-L179 HydrophobicContact CZ-CD1 3.37Å; L174-L179 HydrophobicContact CB-CB 4.35Å; L174-L179 HydrophobicContact CD1-CD1 4.34Å; A175-L179 PolarHBondContact O-N 3.03Å; P176-L179 PolarHBondContact O-N 2.83Å; L179-S181 VanDerWaalsContact C-N 3.28Å; L179-S181 PolarHBondContact O-N 3.16Å; L179-V182 WeakPolarHBondContact O-CB 3.31Å; L179-V182 PolarHBondContact O-N 2.84Å; L179-I183 HydrophobicContact CD1-CG2 3.91Å; L179-I183 HydrophobicContact CG-CD1 4.34Å; L179-I183 WeakPolarHBondContact O-CG1 3.42Å; L179-I183 PolarHBondContact O-N 3.17Å; L179-W203 HydrophobicContact CD2-CB 4.35Å; L179-W203 HydrophobicContact CD2-CD2 3.41Å; L179-W203 VanDerWaalsContact CD2-CD2 3.41Å; L179-W203 HydrophobicContact CD2-CE3 3.54Å; L179-W203 HydrophobicContact CD2-CG 3.77Å; L179-W203 HydrophobicContact CD2-CH2 4.32Å; L179-W203 HydrophobicContact CD2-CZ2 4.2Å; L179-W203 HydrophobicContact CD2-CZ3 4.01Å; L179-V218 HydrophobicContact CD2-CG1 3.75Å; L179-V218 HydrophobicContact CD2-CG2 4.48Å; L179-V218 HydrophobicContact CG-CG1 4.3Å
180	I	94.1	Very high	93.2	Very high	42 Å²	42	35.2 Å²	35.2	22%	0.215	19%	0.193	C	C	.	.	H	α-helix	trans	-54.9	-46.5	175.1	-72.2	167.2	0	0	0	110.3	P176 E178 V182 I183 T184 E217 V218	P176-I180 VanDerWaalsContact O-CG1 3.29Å; P176-I180 WeakPolarHBondContact O-CG1 3.28Å; P176-I180 PolarHBondContact O-N 3.05Å; E178-I180 PolarHBondContact O-N 2.59Å; I180-V182 PolarHBondContact O-N 2.85Å; I180-I183 PolarHBondContact O-N 3.4Å; I180-T184 VanDerWaalsContact O-CB 3.25Å; I180-T184 WeakPolarHBondContact O-CB 3.38Å; I180-T184 PolarHBondContact O-N 2.81Å; I180-T184 VanDerWaalsContact O-N 3.08Å; I180-T184 PolarHBondContact O-OG1 2.87Å; I180-E217 HydrophobicContact CD1-CB 4.13Å; I180-V218 HydrophobicContact CD1-CG2 4.22Å; I180-V218 HydrophobicContact CG1-CG2 4.03Å
181	S	91.3	Very high	93.2	Very high	27 Å²	27	36.1 Å²	36.1	19%	0.189	20%	0.195	C	C	.	.	H	α-helix	trans	-63.1	-24.5	179.8	82.9	0	0	0	0	113.8	H177 E178 L179	H177-S181 PolarHBondContact O-N 3.14Å; H177-S181 VanDerWaalsContact O-N 3.1Å; E178-S181 WeakPolarHBondContact O-CB 3.49Å; E178-S181 PolarHBondContact O-N 3.08Å; E178-S181 VanDerWaalsContact O-N 3.13Å; E178-S181 PolarHBondContact O-OG 3.38Å; L179-S181 VanDerWaalsContact C-N 3.28Å; L179-S181 PolarHBondContact O-N 3.16Å
182	V	94.1	Very high	93.1	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-85.9	-39.5	179.7	167.7	0	0	0	0	112	L136 L139 V158 F162 F171 E178 L179 I180 L188	L136-V182 HydrophobicContact CD2-CG2 4.4Å; L139-V182 HydrophobicContact CD2-CG2 4.12Å; V158-V182 HydrophobicContact CG1-CB 4.46Å; V158-V182 HydrophobicContact CG1-CG1 3.56Å; V158-V182 HydrophobicContact CG1-CG2 4.18Å; F162-V182 HydrophobicContact CD2-CG1 4.15Å; F162-V182 HydrophobicContact CE2-CG1 4.14Å; F171-V182 HydrophobicContact CE2-CG1 4.07Å; E178-V182 WeakPolarHBondContact O-CG2 3.25Å; E178-V182 PolarHBondContact O-N 3.49Å; E178-V182 VanDerWaalsContact O-N 3.12Å; L179-V182 WeakPolarHBondContact O-CB 3.31Å; L179-V182 PolarHBondContact O-N 2.84Å; I180-V182 PolarHBondContact O-N 2.85Å; V182-L188 WeakPolarHBondContact O-CD1 3.47Å
183	I	95.6	Very high	93.2	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-96.7	-18.2	-171.1	68.2	177.1	0	0	0	114.7	F162 L179 I180 V196 V200 V218 C221	F162-I183 HydrophobicContact CE2-CG2 3.85Å; F162-I183 HydrophobicContact CZ-CG2 4.12Å; L179-I183 HydrophobicContact CD1-CG2 3.91Å; L179-I183 HydrophobicContact CG-CD1 4.34Å; L179-I183 WeakPolarHBondContact O-CG1 3.42Å; L179-I183 PolarHBondContact O-N 3.17Å; I180-I183 PolarHBondContact O-N 3.4Å; I183-V196 HydrophobicContact CB-CG1 4.08Å; I183-V196 HydrophobicContact CG2-CG1 4.3Å; I183-V200 HydrophobicContact CD1-CG2 3.62Å; I183-V218 HydrophobicContact CD1-CG1 3.77Å; I183-C221 HydrophobicContact CD1-CB 3.67Å; I183-C221 HydrophobicContact CG1-CB 3.65Å
184	T	93.3	Very high	93.4	Very high	67 Å²	67	36 Å²	36	41%	0.411	19%	0.193	S	C	.	.	S	Bend	trans	-67.1	-41.9	-179.2	-59.3	0	0	0	0	114.5	I180 C221 R223	I180-T184 VanDerWaalsContact O-CB 3.25Å; I180-T184 WeakPolarHBondContact O-CB 3.38Å; I180-T184 PolarHBondContact O-N 2.81Å; I180-T184 VanDerWaalsContact O-N 3.08Å; I180-T184 PolarHBondContact O-OG1 2.87Å; T184-C221 PolarHBondContact OG1-SG 2.99Å; T184-R223 PolarHBondContact O-NH2 2.89Å; T184-R223 VanDerWaalsContact O-NH2 3.13Å
185	P	92.2	Very high	93.4	Very high	28 Å²	28	38.7 Å²	38.7	18%	0.182	21%	0.207	C	C	.	.			trans	-55.7	143.5	-171.2	-27.5	35.4	0	0	0	115	S187 L188	P185-S187 PolarHBondContact O-N 3.33Å; P185-L188 WeakPolarHBondContact O-CB 3.42Å; P185-L188 PolarHBondContact O-N 3.01Å
186	D	92.3	Very high	93.6	Very high	70 Å²	70	37.1 Å²	37.1	37%	0.374	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-27.9	169.8	-67	-39.4	0	0	0	112.5	L188 R223 R297 H298	D186-L188 PolarHBondContact O-N 3.42Å; D186-R223 IonicContact OD1-CZ 3.23Å; D186-R223 IonicContact OD1-NH1 2.64Å; D186-R223 PolarHBondContact OD1-NH1 2.74Å; D186-R223 IonicContact OD1-NH2 3.08Å; D186-R223 PolarHBondContact OD1-NH2 3.45Å; D186-R297 WeakPolarHBondContact O-CA 3.41Å; D186-H298 PolarHBondContact O-CD2 3.38Å; D186-H298 PolarHBondContact O-N 2.85Å
187	S	91.8	Very high	93.8	Very high	31 Å²	31	35.7 Å²	35.7	22%	0.217	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-6.1	-179.5	59.3	0	0	0	0	115.2	P185 N189 H298	P185-S187 PolarHBondContact O-N 3.33Å; S187-N189 PolarHBondContact O-N 2.99Å; S187-N189 VanDerWaalsContact O-N 3.14Å; S187-H298 WeakPolarHBondContact CA-ND1 3.5Å
188	L	93.8	Very high	94	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.173	C	C	.	.			trans	-57.8	120	-179.8	-161.8	71.1	0	0	0	110.8	F162 V182 P185 D186 V190 V196 R297 G299	F162-L188 HydrophobicContact CB-CD1 3.7Å; F162-L188 HydrophobicContact CB-CG 4.25Å; F162-L188 HydrophobicContact CD1-CD1 4.33Å; F162-L188 HydrophobicContact CD1-CD2 4.31Å; F162-L188 HydrophobicContact CD1-CG 4.34Å; F162-L188 HydrophobicContact CD2-CD1 3.57Å; F162-L188 HydrophobicContact CD2-CD2 4.49Å; F162-L188 HydrophobicContact CD2-CG 4.39Å; F162-L188 HydrophobicContact CE1-CD2 4.35Å; F162-L188 HydrophobicContact CE2-CD1 4.25Å; F162-L188 HydrophobicContact CG-CD1 3.59Å; F162-L188 HydrophobicContact CG-CD2 4.35Å; F162-L188 HydrophobicContact CG-CG 4.06Å; F162-L188 HydrophobicContact CZ-CD2 4.45Å; V182-L188 WeakPolarHBondContact O-CD1 3.47Å; P185-L188 WeakPolarHBondContact O-CB 3.42Å; P185-L188 PolarHBondContact O-N 3.01Å; D186-L188 PolarHBondContact O-N 3.42Å; L188-V190 VanDerWaalsContact C-N 3.27Å; L188-V190 HydrophobicContact CB-CG2 4.48Å; L188-V190 HydrophobicContact CD2-CG1 4.2Å; L188-V190 HydrophobicContact CD2-CG2 3.98Å; L188-V190 HydrophobicContact CG-CG1 4.17Å; L188-V190 HydrophobicContact CG-CG2 4.18Å; L188-V190 PolarHBondContact O-N 2.62Å; L188-V196 HydrophobicContact CD2-CG2 3.62Å; L188-R297 WeakPolarHBondContact O-CB 3.36Å; L188-G299 PolarHBondContact O-N 2.96Å
189	N	92.1	Very high	94.3	Very high	34 Å²	34	32.1 Å²	32.1	18%	0.182	17%	0.168	C	C	.	.			trans	-82.9	72.3	-177.3	-170.1	27.3	0	0	0	110.8	S159 D160 S187 G299 N599	S159-N189 VanDerWaalsContact O-CB 3.25Å; S159-N189 WeakPolarHBondContact O-CB 3.47Å; S159-N189 PolarHBondContact O-N 3.13Å; D160-N189 PolarHBondContact O-ND2 2.84Å; S187-N189 PolarHBondContact O-N 2.99Å; S187-N189 VanDerWaalsContact O-N 3.14Å; N189-G299 WeakPolarHBondContact OD1-CA 3.39Å; N189-N599 PolarHBondContact OD1-ND2 3.31Å
190	V	93.2	Very high	94.4	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.006	17%	0.168	C	C	.	.			trans	-123.3	129.2	173.8	-68.9	0	0	0	0	111.1	F162 V163 L188 K192 V196 R297 G299 M300	F162-V190 HydrophobicContact CB-CG1 4.49Å; F162-V190 HydrophobicContact CD1-CG1 3.31Å; F162-V190 HydrophobicContact CE1-CG1 3.85Å; F162-V190 HydrophobicContact CG-CG1 4.23Å; V163-V190 HydrophobicContact CG2-CG1 4.28Å; L188-V190 VanDerWaalsContact C-N 3.27Å; L188-V190 HydrophobicContact CB-CG2 4.48Å; L188-V190 HydrophobicContact CD2-CG1 4.2Å; L188-V190 HydrophobicContact CD2-CG2 3.98Å; L188-V190 HydrophobicContact CG-CG1 4.17Å; L188-V190 HydrophobicContact CG-CG2 4.18Å; L188-V190 PolarHBondContact O-N 2.62Å; V190-K192 PolarHBondContact O-N 2.62Å; V190-V196 HydrophobicContact CG1-CG2 4.19Å; V190-V196 HydrophobicContact CG2-CG2 3.99Å; V190-R297 HydrophobicContact CG2-CB 4.23Å; V190-R297 HydrophobicContact CG2-CG 4.24Å; V190-G299 CarbonylContact O-C 2.99Å; V190-G299 WeakPolarHBondContact O-CA 3.36Å; V190-M300 VanDerWaalsContact O-CG 3.28Å; V190-M300 WeakPolarHBondContact O-CG 3.31Å; V190-M300 PolarHBondContact O-N 3.44Å
191	E	91.9	Very high	94.5	Very high	90 Å²	90	30.2 Å²	30.2	42%	0.421	16%	0.158	S	C	.	.	S	Bend	trans	-69.8	-23.5	175.7	-66.6	-178.8	-161.8	0	0	112.5	G299 V302 R597	E191-G299 WeakPolarHBondContact CA-O 3.39Å; E191-V302 HydrophobicContact CG-CB 4.39Å; E191-V302 HydrophobicContact CG-CG2 3.98Å; E191-R597 IonicContact OE1-NH1 3.24Å; E191-R597 PolarHBondContact OE1-NH1 3.12Å; E191-R597 IonicContact OE2-NH1 3.61Å
192	K	94.2	Very high	94.7	Very high	117 Å²	117	33.8 Å²	33.8	51%	0.509	17%	0.167	S	C	.	.			trans	-145.5	133.4	-167.7	-75.8	-172.5	-172.2	179.3	0	111.4	V190 E194 L195	V190-K192 PolarHBondContact O-N 2.62Å; K192-E194 VanDerWaalsContact CB-OE2 3.27Å; K192-E194 WeakPolarHBondContact CB-OE2 3.32Å; K192-E194 PolarHBondContact O-N 3.37Å; K192-L195 PolarHBondContact O-N 3.14Å
193	E	95.6	Very high	94.8	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-63.8	-30.9	178.6	-171.5	66.6	-144	0	0	112.3	L195 V196 F197 I222 R223 L226 M227 R297	E193-L195 PolarHBondContact O-N 3.34Å; E193-L195 VanDerWaalsContact O-N 3.16Å; E193-V196 WeakPolarHBondContact O-CB 3.46Å; E193-V196 PolarHBondContact O-N 2.84Å; E193-F197 PolarHBondContact O-N 2.89Å; E193-I222 HydrophobicContact CG-CG2 4.18Å; E193-I222 WeakPolarHBondContact OE1-CG2 3.19Å; E193-R223 VanDerWaalsContact CD-N 3.27Å; E193-R223 HydrophobicContact CG-CB 4.39Å; E193-R223 WeakPolarHBondContact CG-O 3.01Å; E193-R223 PolarHBondContact OE1-N 2.95Å; E193-R223 WeakPolarHBondContact OE2-CB 3.44Å; E193-L226 HydrophobicContact CB-CB 4.21Å; E193-M227 HydrophobicContact CB-CE 4.21Å; E193-M227 HydrophobicContact CB-CG 3.72Å; E193-M227 HydrophobicContact CG-CE 3.55Å; E193-M227 HydrophobicContact CG-CG 3.77Å; E193-R297 VanDerWaalsContact CD-NH2 3.31Å; E193-R297 IonicContact OE1-CZ 3.8Å; E193-R297 VanDerWaalsContact OE1-CZ 3.32Å; E193-R297 IonicContact OE1-NH1 3.18Å; E193-R297 PolarHBondContact OE1-NH1 3.48Å; E193-R297 IonicContact OE1-NH2 3.35Å; E193-R297 PolarHBondContact OE1-NH2 3.22Å; E193-R297 IonicContact OE2-CZ 3.66Å; E193-R297 IonicContact OE2-NH1 2.79Å; E193-R297 PolarHBondContact OE2-NH1 3.27Å; E193-R297 IonicContact OE2-NH2 3.52Å; E193-R297 PolarHBondContact OE2-NH2 2.96Å
194	E	96.2	Very high	94.8	Very high	22 Å²	22	33.8 Å²	33.8	10%	0.103	17%	0.167	C	C	.	.	H	α-helix	trans	-52.7	-37.4	179	-62.4	95.2	131.2	0	0	111.8	K192 V196 F197 E198 M227 P228 Y231	K192-E194 VanDerWaalsContact CB-OE2 3.27Å; K192-E194 WeakPolarHBondContact CB-OE2 3.32Å; K192-E194 PolarHBondContact O-N 3.37Å; E194-V196 VanDerWaalsContact C-N 3.34Å; E194-V196 PolarHBondContact O-N 2.97Å; E194-F197 PolarHBondContact O-N 3Å; E194-E198 WeakPolarHBondContact O-CB 3.39Å; E194-E198 VanDerWaalsContact O-CG 3.26Å; E194-E198 WeakPolarHBondContact O-CG 3.15Å; E194-E198 PolarHBondContact O-N 2.81Å; E194-M227 HydrophobicContact CG-CG 4.44Å; E194-P228 WeakPolarHBondContact OE1-CD 3.28Å; E194-P228 WeakPolarHBondContact OE1-CG 3.29Å; E194-Y231 HydrophobicContact CB-CD1 4.34Å; E194-Y231 HydrophobicContact CB-CE1 3.86Å; E194-Y231 HydrophobicContact CB-CE2 4.1Å; E194-Y231 HydrophobicContact CG-CD1 3.47Å; E194-Y231 VanDerWaalsContact CG-CD1 3.47Å; E194-Y231 HydrophobicContact CG-CD2 3.88Å; E194-Y231 HydrophobicContact CG-CE1 3.51Å; E194-Y231 HydrophobicContact CG-CE2 3.88Å; E194-Y231 HydrophobicContact CG-CG 3.67Å
195	L	95.6	Very high	94.9	Very high	61 Å²	61	36.9 Å²	36.9	32%	0.319	17%	0.171	S	C	.	.	H	α-helix	trans	-65.4	-37	179.1	-65.7	176.4	0	0	0	112.4	V163 K192 E193 A199	V163-L195 HydrophobicContact CG2-CD1 4.34Å; K192-L195 PolarHBondContact O-N 3.14Å; E193-L195 PolarHBondContact O-N 3.34Å; E193-L195 VanDerWaalsContact O-N 3.16Å; L195-A199 WeakPolarHBondContact O-CB 3.25Å; L195-A199 PolarHBondContact O-N 3.07Å
196	V	97.1	Very high	95	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-68.8	-44.6	177.3	-178.7	0	0	0	0	109.9	F162 I183 L188 V190 E193 E194 A199 V200 I222 R297	F162-V196 HydrophobicContact CE1-CG2 3.94Å; F162-V196 HydrophobicContact CZ-CG2 4.29Å; I183-V196 HydrophobicContact CB-CG1 4.08Å; I183-V196 HydrophobicContact CG2-CG1 4.3Å; L188-V196 HydrophobicContact CD2-CG2 3.62Å; V190-V196 HydrophobicContact CG1-CG2 4.19Å; V190-V196 HydrophobicContact CG2-CG2 3.99Å; E193-V196 WeakPolarHBondContact O-CB 3.46Å; E193-V196 PolarHBondContact O-N 2.84Å; E194-V196 VanDerWaalsContact C-N 3.34Å; E194-V196 PolarHBondContact O-N 2.97Å; V196-A199 PolarHBondContact O-N 3.23Å; V196-V200 WeakPolarHBondContact O-CG2 3.39Å; V196-V200 PolarHBondContact O-N 3.22Å; V196-I222 HydrophobicContact CG1-CG1 4.47Å; V196-R297 VanDerWaalsContact CG2-NH1 3.33Å
197	F	97.1	Very high	95	Very high	7 Å²	7	39 Å²	39	3%	0.031	19%	0.185	C	C	.	.	H	α-helix	trans	-60	-47.2	174.7	169.9	-99.2	0	0	0	112.4	E193 E194 A199 V200 M201 I222 F224 M227 Y231 V236 I242	E193-F197 PolarHBondContact O-N 2.89Å; E194-F197 PolarHBondContact O-N 3Å; F197-A199 VanDerWaalsContact C-N 3.31Å; F197-A199 PolarHBondContact O-N 3.35Å; F197-V200 PolarHBondContact O-N 3.1Å; F197-M201 HydrophobicContact CD1-CG 4.41Å; F197-M201 HydrophobicContact CD2-CG 3.99Å; F197-M201 HydrophobicContact CE1-CG 4.02Å; F197-M201 HydrophobicContact CE2-CG 3.55Å; F197-M201 HydrophobicContact CE2-SD 4.03Å; F197-M201 HydrophobicContact CG-CG 4.4Å; F197-M201 HydrophobicContact CZ-CG 3.56Å; F197-M201 HydrophobicContact CZ-SD 4.35Å; F197-M201 WeakPolarHBondContact O-CB 3.45Å; F197-M201 VanDerWaalsContact O-CG 3.29Å; F197-M201 WeakPolarHBondContact O-CG 3.44Å; F197-M201 PolarHBondContact O-N 2.86Å; F197-I222 HydrophobicContact CB-CD1 4.46Å; F197-I222 HydrophobicContact CB-CG2 4.21Å; F197-I222 HydrophobicContact CD2-CD1 4.14Å; F197-F224 AromaticContact CD2-CE1 3.94Å; F197-F224 HydrophobicContact CD2-CE1 3.94Å; F197-F224 HydrophobicContact CD2-CZ 4.3Å; F197-F224 HydrophobicContact CE2-CE1 4.36Å; F197-M227 HydrophobicContact CB-CE 3.44Å; F197-M227 VanDerWaalsContact CB-CE 3.44Å; F197-M227 HydrophobicContact CG-CE 4.04Å; F197-Y231 HydrophobicContact CD1-CE1 4.24Å; F197-V236 HydrophobicContact CD1-CG2 4.21Å; F197-V236 HydrophobicContact CD2-CG2 4.25Å; F197-V236 HydrophobicContact CE1-CG2 3.91Å; F197-V236 HydrophobicContact CE2-CB 4.34Å; F197-V236 HydrophobicContact CE2-CG1 3.94Å; F197-V236 HydrophobicContact CE2-CG2 3.96Å; F197-V236 HydrophobicContact CG-CG2 4.38Å; F197-V236 HydrophobicContact CZ-CB 4.15Å; F197-V236 HydrophobicContact CZ-CG1 4.2Å; F197-V236 HydrophobicContact CZ-CG2 3.79Å; F197-I242 HydrophobicContact CE2-CD1 3.74Å; F197-I242 HydrophobicContact CZ-CD1 3.99Å
198	E	96.5	Very high	95	Very high	77 Å²	77	43.2 Å²	43.2	36%	0.36	20%	0.199	S	C	.	.	H	α-helix	trans	-60.5	-40.4	177.4	-74.2	173.5	-171.1	0	0	111.9	E194 R202 Y231	E194-E198 WeakPolarHBondContact O-CB 3.39Å; E194-E198 VanDerWaalsContact O-CG 3.26Å; E194-E198 WeakPolarHBondContact O-CG 3.15Å; E194-E198 PolarHBondContact O-N 2.81Å; E198-R202 WeakPolarHBondContact O-CB 3.19Å; E198-R202 PolarHBondContact O-N 2.87Å; E198-Y231 VanDerWaalsContact CG-OH 3.32Å; E198-Y231 WeakPolarHBondContact CG-OH 2.97Å; E198-Y231 PolarHBondContact OE1-OH 3.01Å
199	A	96.9	Very high	94.8	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.008	24%	0.236	C	C	.	.	H	α-helix	trans	-63.6	-47.4	175.6	0	0	0	0	0	112	F162 C166 F171 L195 V196 F197 M201 R202 W203	F162-A199 HydrophobicContact CZ-CB 4.11Å; C166-A199 HydrophobicContact CB-CB 3.89Å; F171-A199 HydrophobicContact CE1-CB 4.13Å; F171-A199 HydrophobicContact CZ-CB 4.31Å; L195-A199 WeakPolarHBondContact O-CB 3.25Å; L195-A199 PolarHBondContact O-N 3.07Å; V196-A199 PolarHBondContact O-N 3.23Å; F197-A199 VanDerWaalsContact C-N 3.31Å; F197-A199 PolarHBondContact O-N 3.35Å; A199-M201 PolarHBondContact O-N 3.47Å; A199-R202 PolarHBondContact O-N 3.44Å; A199-W203 PolarHBondContact O-N 2.98Å
200	V	96.8	Very high	94.7	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-60.8	-46.4	176.8	169.8	0	0	0	0	110.8	I183 V196 F197 R202 W203 V204 L215 V218 I222	I183-V200 HydrophobicContact CD1-CG2 3.62Å; V196-V200 WeakPolarHBondContact O-CG2 3.39Å; V196-V200 PolarHBondContact O-N 3.22Å; F197-V200 PolarHBondContact O-N 3.1Å; V200-R202 VanDerWaalsContact C-N 3.3Å; V200-R202 PolarHBondContact O-N 3.48Å; V200-W203 WeakPolarHBondContact O-CB 3.42Å; V200-W203 PolarHBondContact O-N 3.47Å; V200-W203 VanDerWaalsContact O-N 3.17Å; V200-V204 HydrophobicContact CG1-CG2 4.4Å; V200-V204 WeakPolarHBondContact O-CG2 3.49Å; V200-V204 PolarHBondContact O-N 3.5Å; V200-L215 HydrophobicContact CG1-CD1 4.04Å; V200-V218 HydrophobicContact CB-CG1 4.44Å; V200-V218 HydrophobicContact CG1-CG1 3.64Å; V200-V218 HydrophobicContact CG2-CG1 3.89Å; V200-I222 HydrophobicContact CB-CD1 4.13Å; V200-I222 HydrophobicContact CG1-CD1 4.17Å; V200-I222 HydrophobicContact CG2-CD1 4.13Å; V200-I222 HydrophobicContact CG2-CG1 4.41Å
201	M	96.4	Very high	94.7	Very high	2 Å²	2	55.2 Å²	55.2	1%	0.01	26%	0.255	C	S	.	.	H	α-helix	trans	-68.3	-30.4	-179.5	-66.7	-53.2	-61.4	0	0	112.4	F197 A199 R205 D239 I241 I242	F197-M201 HydrophobicContact CD1-CG 4.41Å; F197-M201 HydrophobicContact CD2-CG 3.99Å; F197-M201 HydrophobicContact CE1-CG 4.02Å; F197-M201 HydrophobicContact CE2-CG 3.55Å; F197-M201 HydrophobicContact CE2-SD 4.03Å; F197-M201 HydrophobicContact CG-CG 4.4Å; F197-M201 HydrophobicContact CZ-CG 3.56Å; F197-M201 HydrophobicContact CZ-SD 4.35Å; F197-M201 WeakPolarHBondContact O-CB 3.45Å; F197-M201 VanDerWaalsContact O-CG 3.29Å; F197-M201 WeakPolarHBondContact O-CG 3.44Å; F197-M201 PolarHBondContact O-N 2.86Å; A199-M201 PolarHBondContact O-N 3.47Å; M201-R205 WeakPolarHBondContact O-CB 3.45Å; M201-R205 WeakPolarHBondContact O-CG 3.37Å; M201-R205 PolarHBondContact O-N 3.18Å; M201-D239 VanDerWaalsContact CE-OD1 3.26Å; M201-D239 WeakPolarHBondContact CE-OD1 3.35Å; M201-I241 HydrophobicContact CE-CB 4.18Å; M201-I241 HydrophobicContact CE-CD1 4.14Å; M201-I242 HydrophobicContact CE-CG1 4.41Å; M201-I242 HydrophobicContact SD-CD1 4.37Å
202	R	95.6	Very high	94.7	Very high	101 Å²	101	52.5 Å²	52.5	38%	0.381	25%	0.245	S	C	.	.	H	α-helix	trans	-64.9	-47.2	170.1	-163.5	-178.2	-54.6	128.6	5.3	110.6	C166 M172 E198 A199 V200 V204 R205 T206	C166-R202 PolarHBondContact O-NH1 3.04Å; M172-R202 HydrophobicContact CE-CB 4.38Å; M172-R202 VanDerWaalsContact CE-CD 3.49Å; M172-R202 HydrophobicContact CE-CG 4.03Å; M172-R202 HydrophobicContact SD-CB 4.25Å; M172-R202 HydrophobicContact SD-CG 3.91Å; E198-R202 WeakPolarHBondContact O-CB 3.19Å; E198-R202 PolarHBondContact O-N 2.87Å; A199-R202 PolarHBondContact O-N 3.44Å; V200-R202 VanDerWaalsContact C-N 3.3Å; V200-R202 PolarHBondContact O-N 3.48Å; R202-V204 PolarHBondContact O-N 3.09Å; R202-R205 PolarHBondContact O-N 3.44Å; R202-T206 PolarHBondContact O-N 3.25Å; R202-T206 PolarHBondContact O-OG1 3.19Å; R202-T206 VanDerWaalsContact O-OG1 3.13Å
203	W	96.5	Very high	94.5	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-59.1	-45.8	176.5	174.4	93.5	0	0	0	112.4	M172 L174 P176 L179 A199 V200 R205 T206 R211 V218	M172-W203 HydrophobicContact SD-CB 4.43Å; L174-W203 PolarHBondContact O-NE1 3.39Å; P176-W203 HydrophobicContact CB-CH2 4.14Å; P176-W203 HydrophobicContact CB-CZ2 4.45Å; P176-W203 HydrophobicContact CG-CH2 3.94Å; P176-W203 HydrophobicContact CG-CZ2 4.11Å; L179-W203 HydrophobicContact CD2-CB 4.35Å; L179-W203 HydrophobicContact CD2-CD2 3.41Å; L179-W203 VanDerWaalsContact CD2-CD2 3.41Å; L179-W203 HydrophobicContact CD2-CE3 3.54Å; L179-W203 HydrophobicContact CD2-CG 3.77Å; L179-W203 HydrophobicContact CD2-CH2 4.32Å; L179-W203 HydrophobicContact CD2-CZ2 4.2Å; L179-W203 HydrophobicContact CD2-CZ3 4.01Å; A199-W203 PolarHBondContact O-N 2.98Å; V200-W203 WeakPolarHBondContact O-CB 3.42Å; V200-W203 PolarHBondContact O-N 3.47Å; V200-W203 VanDerWaalsContact O-N 3.17Å; W203-R205 VanDerWaalsContact C-N 3.31Å; W203-R205 PolarHBondContact O-N 2.96Å; W203-T206 PolarHBondContact O-N 3.43Å; W203-R211 HydrophobicContact CE3-CB 4.34Å; W203-R211 HydrophobicContact CE3-CG 4.47Å; W203-R211 HydrophobicContact CH2-CB 3.86Å; W203-R211 HydrophobicContact CH2-CG 3.68Å; W203-R211 HydrophobicContact CZ2-CG 3.88Å; W203-R211 HydrophobicContact CZ3-CB 3.77Å; W203-R211 HydrophobicContact CZ3-CG 4.01Å; W203-R211 VanDerWaalsContact NE1-CZ 3.32Å; W203-R211 VanDerWaalsContact O-CD 3.24Å; W203-R211 WeakPolarHBondContact O-CD 3.37Å; W203-R211 PolarHBondContact O-NH1 3.16Å; W203-V218 HydrophobicContact CH2-CG2 4.46Å; W203-V218 HydrophobicContact CZ3-CG2 4.25Å
204	V	96.1	Very high	94.4	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-61.6	-41	177.8	176.5	0	0	0	0	111.5	V200 R202 T206 D207 K208 R211 V212 L215 I241	V200-V204 HydrophobicContact CG1-CG2 4.4Å; V200-V204 WeakPolarHBondContact O-CG2 3.49Å; V200-V204 PolarHBondContact O-N 3.5Å; R202-V204 PolarHBondContact O-N 3.09Å; V204-T206 PolarHBondContact O-N 2.92Å; V204-D207 CarbonylContact O-C 3.25Å; V204-D207 VanDerWaalsContact O-C 3.25Å; V204-D207 PolarHBondContact O-N 3.25Å; V204-K208 WeakPolarHBondContact O-CA 3.08Å; V204-K208 PolarHBondContact O-N 3.31Å; V204-R211 HydrophobicContact CG1-CB 4.36Å; V204-V212 HydrophobicContact CG1-CG2 3.86Å; V204-L215 HydrophobicContact CG1-CD2 4.32Å; V204-L215 HydrophobicContact CG2-CB 4.38Å; V204-L215 HydrophobicContact CG2-CD1 3.64Å; V204-L215 HydrophobicContact CG2-CD2 4.23Å; V204-L215 HydrophobicContact CG2-CG 4.28Å; V204-I241 HydrophobicContact CG1-CD1 3.99Å
205	R	95.2	Very high	94.2	Very high	132 Å²	132	55.4 Å²	55.4	50%	0.498	26%	0.261	S	S	.	.	H	α-helix	trans	-68.1	-22.2	-176.6	-73	175.9	-166.6	124.2	-5.8	113.3	M201 R202 W203 D239 I241	M201-R205 WeakPolarHBondContact O-CB 3.45Å; M201-R205 WeakPolarHBondContact O-CG 3.37Å; M201-R205 PolarHBondContact O-N 3.18Å; R202-R205 PolarHBondContact O-N 3.44Å; W203-R205 VanDerWaalsContact C-N 3.31Å; W203-R205 PolarHBondContact O-N 2.96Å; R205-D239 IonicContact CZ-OD2 2.86Å; R205-D239 IonicContact NH2-OD2 3.36Å; R205-D239 PolarHBondContact NH2-OD2 3.19Å; R205-I241 HydrophobicContact CG-CD1 3.86Å
206	T	94.4	Very high	94	Very high	90 Å²	90	53.6 Å²	53.6	55%	0.552	26%	0.257	S	S	*	.	H	α-helix	trans	-66.5	-34.4	175.9	-50.5	0	0	0	0	112.8	R202 W203 V204	R202-T206 PolarHBondContact O-N 3.25Å; R202-T206 PolarHBondContact O-OG1 3.19Å; R202-T206 VanDerWaalsContact O-OG1 3.13Å; W203-T206 PolarHBondContact O-N 3.43Å; V204-T206 PolarHBondContact O-N 2.92Å
207	D	92.6	Very high	93.7	Very high	54 Å²	54	59.5 Å²	59.5	29%	0.289	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-141.9	74.5	174.6	178.7	4.4	0	0	0	109.5	V204 E209 N210 R211	V204-D207 CarbonylContact O-C 3.25Å; V204-D207 VanDerWaalsContact O-C 3.25Å; V204-D207 PolarHBondContact O-N 3.25Å; D207-E209 VanDerWaalsContact C-N 3.26Å; D207-E209 PolarHBondContact O-N 3.32Å; D207-N210 PolarHBondContact OD1-N 3.37Å; D207-N210 PolarHBondContact OD1-ND2 2.92Å; D207-N210 VanDerWaalsContact OD1-ND2 3.15Å; D207-N210 WeakPolarHBondContact OD2-CB 3.42Å; D207-N210 PolarHBondContact OD2-ND2 2.69Å; D207-R211 HydrophobicContact CB-CG 4.11Å; D207-R211 WeakPolarHBondContact O-CB 3.31Å; D207-R211 VanDerWaalsContact O-CG 3.28Å; D207-R211 WeakPolarHBondContact O-CG 3.27Å; D207-R211 PolarHBondContact O-N 2.96Å
208	K	91.6	Very high	93.6	Very high	119 Å²	119	59.2 Å²	59.2	52%	0.517	28%	0.284	S	S	.	.	H	α-helix	trans	-60.1	-36.2	-173.9	-174.8	178.6	175.6	178.9	0	112.4	V204 V212	V204-K208 WeakPolarHBondContact O-CA 3.08Å; V204-K208 PolarHBondContact O-N 3.31Å; K208-V212 HydrophobicContact CG-CG2 3.86Å; K208-V212 WeakPolarHBondContact O-CB 3.36Å; K208-V212 WeakPolarHBondContact O-CG2 3.3Å; K208-V212 PolarHBondContact O-N 3.27Å
209	E	89.1	Confident	93.4	Very high	166 Å²	166	55.6 Å²	55.6	78%	0.776	27%	0.267	S	S	*	.	H	α-helix	trans	-69	-40.5	-173.1	-65.3	-173.8	174.3	0	0	112.5	D207	D207-E209 VanDerWaalsContact C-N 3.26Å; D207-E209 PolarHBondContact O-N 3.32Å
210	N	90.9	Very high	93.2	Very high	88 Å²	88	58 Å²	58	47%	0.471	28%	0.28	S	S	.	.	H	α-helix	trans	-90.4	-40.2	-179.7	-59.6	-52.9	0	0	0	112.3	D207 K213	D207-N210 PolarHBondContact OD1-N 3.37Å; D207-N210 PolarHBondContact OD1-ND2 2.92Å; D207-N210 VanDerWaalsContact OD1-ND2 3.15Å; D207-N210 WeakPolarHBondContact OD2-CB 3.42Å; D207-N210 PolarHBondContact OD2-ND2 2.69Å; N210-K213 WeakPolarHBondContact O-CB 3.48Å; N210-K213 PolarHBondContact O-N 3.32Å
211	R	92.8	Very high	93.1	Very high	32 Å²	32	58.8 Å²	58.8	12%	0.121	29%	0.285	C	S	.	.	H	α-helix	trans	-78.6	-23.4	-169.6	-64.2	177.8	176.3	-176.5	-4.7	114.1	M172 W203 V204 D207 K213 S214 L215	M172-R211 PolarHBondContact O-NH1 2.82Å; M172-R211 PolarHBondContact O-NH2 2.98Å; W203-R211 HydrophobicContact CE3-CB 4.34Å; W203-R211 HydrophobicContact CE3-CG 4.47Å; W203-R211 HydrophobicContact CH2-CB 3.86Å; W203-R211 HydrophobicContact CH2-CG 3.68Å; W203-R211 HydrophobicContact CZ2-CG 3.88Å; W203-R211 HydrophobicContact CZ3-CB 3.77Å; W203-R211 HydrophobicContact CZ3-CG 4.01Å; W203-R211 VanDerWaalsContact NE1-CZ 3.32Å; W203-R211 VanDerWaalsContact O-CD 3.24Å; W203-R211 WeakPolarHBondContact O-CD 3.37Å; W203-R211 PolarHBondContact O-NH1 3.16Å; V204-R211 HydrophobicContact CG1-CB 4.36Å; D207-R211 HydrophobicContact CB-CG 4.11Å; D207-R211 WeakPolarHBondContact O-CB 3.31Å; D207-R211 VanDerWaalsContact O-CG 3.28Å; D207-R211 WeakPolarHBondContact O-CG 3.27Å; D207-R211 PolarHBondContact O-N 2.96Å; R211-K213 PolarHBondContact O-N 2.93Å; R211-S214 PolarHBondContact O-N 2.9Å; R211-S214 VanDerWaalsContact O-N 3.14Å; R211-L215 PolarHBondContact O-N 3.04Å
212	V	91.8	Very high	93.1	Very high	34 Å²	34	58.7 Å²	58.7	21%	0.206	28%	0.284	C	S	.	.	H	α-helix	trans	-60.9	-28.4	174.1	169.4	0	0	0	0	111.7	V204 K208 L215 I241	V204-V212 HydrophobicContact CG1-CG2 3.86Å; K208-V212 HydrophobicContact CG-CG2 3.86Å; K208-V212 WeakPolarHBondContact O-CB 3.36Å; K208-V212 WeakPolarHBondContact O-CG2 3.3Å; K208-V212 PolarHBondContact O-N 3.27Å; V212-L215 PolarHBondContact O-N 3.36Å; V212-I241 HydrophobicContact CG2-CG2 3.8Å
213	K	90.8	Very high	93.1	Very high	167 Å²	167	54.1 Å²	54.1	73%	0.726	27%	0.267	S	S	*	.	H	α-helix	trans	-67.1	-39.3	176.8	-59.8	174.5	-174.2	167.1	0	111.9	N210 R211	N210-K213 WeakPolarHBondContact O-CB 3.48Å; N210-K213 PolarHBondContact O-N 3.32Å; R211-K213 PolarHBondContact O-N 2.93Å
214	S	91.7	Very high	93	Very high	32 Å²	32	54.1 Å²	54.1	22%	0.224	27%	0.267	C	S	.	.	H	α-helix	trans	-90.2	-11	179	-54.6	0	0	0	0	113.5	R211 G216 E217 V218	R211-S214 PolarHBondContact O-N 2.9Å; R211-S214 VanDerWaalsContact O-N 3.14Å; S214-G216 PolarHBondContact O-N 3.24Å; S214-G216 VanDerWaalsContact O-N 3.14Å; S214-E217 PolarHBondContact O-N 3.47Å; S214-E217 VanDerWaalsContact O-N 3.09Å; S214-V218 PolarHBondContact O-N 3.24Å
215	L	92.8	Very high	92.9	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-55.7	-34	179.9	178	54.8	0	0	0	111.8	V200 V204 R211 V212 E217 V218 F219 I241 L248	V200-L215 HydrophobicContact CG1-CD1 4.04Å; V204-L215 HydrophobicContact CG1-CD2 4.32Å; V204-L215 HydrophobicContact CG2-CB 4.38Å; V204-L215 HydrophobicContact CG2-CD1 3.64Å; V204-L215 HydrophobicContact CG2-CD2 4.23Å; V204-L215 HydrophobicContact CG2-CG 4.28Å; R211-L215 PolarHBondContact O-N 3.04Å; V212-L215 PolarHBondContact O-N 3.36Å; L215-E217 VanDerWaalsContact C-N 3.27Å; L215-E217 PolarHBondContact O-N 3.01Å; L215-V218 PolarHBondContact O-N 3.5Å; L215-F219 WeakPolarHBondContact O-CB 3.47Å; L215-F219 PolarHBondContact O-N 3.38Å; L215-I241 HydrophobicContact CD2-CG2 3.8Å; L215-L248 HydrophobicContact CD2-CD1 3.59Å; L215-L248 HydrophobicContact CG-CD1 3.88Å
216	G	91.2	Very high	92.8	Very high	23 Å²	23	52.9 Å²	52.9	24%	0.237	27%	0.265	C	S	.	.	H	α-helix	trans	-53.1	-42.4	177	0	0	0	0	0	113.6	S214 K251	S214-G216 PolarHBondContact O-N 3.24Å; S214-G216 VanDerWaalsContact O-N 3.14Å; G216-K251 PolarHBondContact O-NZ 3.47Å
217	E	91.8	Very high	92.8	Very high	125 Å²	125	48.9 Å²	48.9	58%	0.584	24%	0.241	S	C	*	.	H	α-helix	trans	-77.9	-44.8	179.8	-64.1	173.7	179.6	0	0	111.4	I180 S214 L215 F219 D220	I180-E217 HydrophobicContact CD1-CB 4.13Å; S214-E217 PolarHBondContact O-N 3.47Å; S214-E217 VanDerWaalsContact O-N 3.09Å; L215-E217 VanDerWaalsContact C-N 3.27Å; L215-E217 PolarHBondContact O-N 3.01Å; E217-F219 PolarHBondContact O-N 3.13Å; E217-D220 WeakPolarHBondContact O-CB 3.35Å; E217-D220 PolarHBondContact O-N 3.2Å
218	V	94.1	Very high	92.9	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-62.1	-33.2	178.3	-176.1	0	0	0	0	111.4	L179 I180 I183 V200 W203 S214 L215 D220 C221	L179-V218 HydrophobicContact CD2-CG1 3.75Å; L179-V218 HydrophobicContact CD2-CG2 4.48Å; L179-V218 HydrophobicContact CG-CG1 4.3Å; I180-V218 HydrophobicContact CD1-CG2 4.22Å; I180-V218 HydrophobicContact CG1-CG2 4.03Å; I183-V218 HydrophobicContact CD1-CG1 3.77Å; V200-V218 HydrophobicContact CB-CG1 4.44Å; V200-V218 HydrophobicContact CG1-CG1 3.64Å; V200-V218 HydrophobicContact CG2-CG1 3.89Å; W203-V218 HydrophobicContact CH2-CG2 4.46Å; W203-V218 HydrophobicContact CZ3-CG2 4.25Å; S214-V218 PolarHBondContact O-N 3.24Å; L215-V218 PolarHBondContact O-N 3.5Å; V218-D220 PolarHBondContact O-N 2.77Å; V218-C221 WeakPolarHBondContact O-CB 3.27Å; V218-C221 PolarHBondContact O-N 2.89Å; V218-C221 VanDerWaalsContact O-N 3.16Å
219	F	93	Very high	93	Very high	1 Å²	1	48.3 Å²	48.3	0%	0.004	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-61.7	-27.7	176.9	-162.9	-90.6	0	0	0	112.4	L215 E217 C221 I222 F224 I242 L248 K251 I252 I255	L215-F219 WeakPolarHBondContact O-CB 3.47Å; L215-F219 PolarHBondContact O-N 3.38Å; E217-F219 PolarHBondContact O-N 3.13Å; F219-C221 PolarHBondContact O-N 3.1Å; F219-I222 PolarHBondContact O-N 3.03Å; F219-F224 AromaticContact CD1-CE2 3.64Å; F219-F224 HydrophobicContact CD1-CE2 3.64Å; F219-F224 HydrophobicContact CD1-CZ 4.09Å; F219-F224 HydrophobicContact CD2-CE2 4.29Å; F219-F224 AromaticContact CD2-CZ 3.92Å; F219-F224 HydrophobicContact CD2-CZ 3.92Å; F219-F224 HydrophobicContact CE1-CD2 4.09Å; F219-F224 AromaticContact CE1-CE2 3.24Å; F219-F224 HydrophobicContact CE1-CE2 3.24Å; F219-F224 AromaticContact CE1-CZ 3.57Å; F219-F224 HydrophobicContact CE1-CZ 3.57Å; F219-F224 HydrophobicContact CE2-CE1 4.25Å; F219-F224 AromaticContact CE2-CE2 3.96Å; F219-F224 HydrophobicContact CE2-CE2 3.96Å; F219-F224 AromaticContact CE2-CZ 3.38Å; F219-F224 HydrophobicContact CE2-CZ 3.38Å; F219-F224 HydrophobicContact CG-CE2 4.15Å; F219-F224 HydrophobicContact CG-CZ 4.25Å; F219-F224 HydrophobicContact CZ-CD2 4.38Å; F219-F224 AromaticContact CZ-CE1 3.99Å; F219-F224 HydrophobicContact CZ-CE1 3.99Å; F219-F224 AromaticContact CZ-CE2 3.41Å; F219-F224 HydrophobicContact CZ-CE2 3.41Å; F219-F224 VanDerWaalsContact CZ-CE2 3.41Å; F219-F224 AromaticContact CZ-CZ 3.17Å; F219-F224 HydrophobicContact CZ-CZ 3.17Å; F219-I242 HydrophobicContact CE2-CD1 4.02Å; F219-L248 HydrophobicContact CB-CD2 3.93Å; F219-L248 HydrophobicContact CD1-CD2 4.09Å; F219-L248 HydrophobicContact CD2-CD2 3.91Å; F219-L248 HydrophobicContact CE2-CD2 4.41Å; F219-L248 HydrophobicContact CG-CD2 3.72Å; F219-K251 HydrophobicContact CD1-CD 4Å; F219-K251 HydrophobicContact CE1-CB 4.15Å; F219-K251 HydrophobicContact CE1-CD 4.47Å; F219-I252 HydrophobicContact CZ-CD1 3.93Å; F219-I255 HydrophobicContact CE1-CD1 3.96Å; F219-I255 HydrophobicContact CZ-CD1 4.45Å
220	D	92.8	Very high	93.3	Very high	52 Å²	52	47.9 Å²	47.9	28%	0.278	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-74.6	-12.7	-180	-63.5	-21.2	0	0	0	112.8	E217 V218 K251 G290 Y291	E217-D220 WeakPolarHBondContact O-CB 3.35Å; E217-D220 PolarHBondContact O-N 3.2Å; V218-D220 PolarHBondContact O-N 2.77Å; D220-K251 WeakPolarHBondContact OD1-CE 3.28Å; D220-K251 IonicContact OD1-NZ 2.86Å; D220-K251 PolarHBondContact OD1-NZ 3Å; D220-K251 IonicContact OD2-NZ 2.63Å; D220-K251 PolarHBondContact OD2-NZ 3.18Å; D220-G290 CarbonylContact O-C 3.59Å; D220-G290 WeakPolarHBondContact O-CA 3.34Å; D220-Y291 HydrophobicContact CB-CD1 4.23Å; D220-Y291 PolarHBondContact O-N 3.13Å; D220-Y291 VanDerWaalsContact O-N 3.14Å; D220-Y291 WeakPolarHBondContact OD1-CD1 3.19Å; D220-Y291 WeakPolarHBondContact OD1-CE1 3.48Å
221	C	94.7	Very high	93.5	Very high	16 Å²	16	45.5 Å²	45.5	11%	0.108	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-86.7	-8.9	175.6	-53.2	0	0	0	0	113.4	I183 T184 V218 F219	I183-C221 HydrophobicContact CD1-CB 3.67Å; I183-C221 HydrophobicContact CG1-CB 3.65Å; T184-C221 PolarHBondContact OG1-SG 2.99Å; V218-C221 WeakPolarHBondContact O-CB 3.27Å; V218-C221 PolarHBondContact O-N 2.89Å; V218-C221 VanDerWaalsContact O-N 3.16Å; F219-C221 PolarHBondContact O-N 3.1Å
222	I	95.9	Very high	93.7	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.219	C	C	.	.	S	Bend	trans	-95.1	122	-177	-55.6	171.8	0	0	0	109.6	E193 V196 F197 V200 F219 F224 M227 Y291	E193-I222 HydrophobicContact CG-CG2 4.18Å; E193-I222 WeakPolarHBondContact OE1-CG2 3.19Å; V196-I222 HydrophobicContact CG1-CG1 4.47Å; F197-I222 HydrophobicContact CB-CD1 4.46Å; F197-I222 HydrophobicContact CB-CG2 4.21Å; F197-I222 HydrophobicContact CD2-CD1 4.14Å; V200-I222 HydrophobicContact CB-CD1 4.13Å; V200-I222 HydrophobicContact CG1-CD1 4.17Å; V200-I222 HydrophobicContact CG2-CD1 4.13Å; V200-I222 HydrophobicContact CG2-CG1 4.41Å; F219-I222 PolarHBondContact O-N 3.03Å; I222-F224 HydrophobicContact CB-CD2 4.24Å; I222-F224 HydrophobicContact CB-CE1 4.48Å; I222-F224 HydrophobicContact CB-CE2 3.62Å; I222-F224 HydrophobicContact CB-CZ 3.76Å; I222-F224 HydrophobicContact CD1-CZ 4.01Å; I222-F224 HydrophobicContact CG2-CD1 4.15Å; I222-F224 HydrophobicContact CG2-CD2 4.12Å; I222-F224 HydrophobicContact CG2-CE1 3.78Å; I222-F224 HydrophobicContact CG2-CE2 3.74Å; I222-F224 HydrophobicContact CG2-CG 4.31Å; I222-F224 HydrophobicContact CG2-CZ 3.55Å; I222-F224 WeakPolarHBondContact O-CD2 3.42Å; I222-F224 WeakPolarHBondContact O-CE2 3.39Å; I222-F224 PolarHBondContact O-N 3.01Å; I222-M227 HydrophobicContact CG2-CE 3.66Å; I222-Y291 VanDerWaalsContact O-CA 3.23Å; I222-Y291 WeakPolarHBondContact O-CA 3.23Å
223	R	95	Very high	93.7	Very high	6 Å²	6	46.9 Å²	46.9	2%	0.023	23%	0.228	C	C	.	.			trans	-87.3	69.9	-172.9	-51.8	-178.8	-170.2	-169.5	-2.2	111.7	T184 D186 E193 R225 L226 N293 L295	T184-R223 PolarHBondContact O-NH2 2.89Å; T184-R223 VanDerWaalsContact O-NH2 3.13Å; D186-R223 IonicContact OD1-CZ 3.23Å; D186-R223 IonicContact OD1-NH1 2.64Å; D186-R223 PolarHBondContact OD1-NH1 2.74Å; D186-R223 IonicContact OD1-NH2 3.08Å; D186-R223 PolarHBondContact OD1-NH2 3.45Å; E193-R223 VanDerWaalsContact CD-N 3.27Å; E193-R223 HydrophobicContact CG-CB 4.39Å; E193-R223 WeakPolarHBondContact CG-O 3.01Å; E193-R223 PolarHBondContact OE1-N 2.95Å; E193-R223 WeakPolarHBondContact OE2-CB 3.44Å; R223-R225 PolarHBondContact O-N 3.15Å; R223-L226 HydrophobicContact CB-CD1 3.74Å; R223-L226 HydrophobicContact CB-CG 4.11Å; R223-L226 HydrophobicContact CG-CD1 4.39Å; R223-L226 WeakPolarHBondContact O-CB 3.38Å; R223-L226 PolarHBondContact O-N 3.5Å; R223-N293 WeakPolarHBondContact CB-O 3.35Å; R223-N293 HydrophobicContact CG-CB 4.15Å; R223-L295 PolarHBondContact NH1-O 2.91Å
224	F	94.9	Very high	93.9	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-56.5	-27	-171.1	-67	-82.6	0	0	0	114.7	F197 F219 I222 L226 M227 F232 V236 I255 F259 Y291	F197-F224 AromaticContact CD2-CE1 3.94Å; F197-F224 HydrophobicContact CD2-CE1 3.94Å; F197-F224 HydrophobicContact CD2-CZ 4.3Å; F197-F224 HydrophobicContact CE2-CE1 4.36Å; F219-F224 AromaticContact CD1-CE2 3.64Å; F219-F224 HydrophobicContact CD1-CE2 3.64Å; F219-F224 HydrophobicContact CD1-CZ 4.09Å; F219-F224 HydrophobicContact CD2-CE2 4.29Å; F219-F224 AromaticContact CD2-CZ 3.92Å; F219-F224 HydrophobicContact CD2-CZ 3.92Å; F219-F224 HydrophobicContact CE1-CD2 4.09Å; F219-F224 AromaticContact CE1-CE2 3.24Å; F219-F224 HydrophobicContact CE1-CE2 3.24Å; F219-F224 AromaticContact CE1-CZ 3.57Å; F219-F224 HydrophobicContact CE1-CZ 3.57Å; F219-F224 HydrophobicContact CE2-CE1 4.25Å; F219-F224 AromaticContact CE2-CE2 3.96Å; F219-F224 HydrophobicContact CE2-CE2 3.96Å; F219-F224 AromaticContact CE2-CZ 3.38Å; F219-F224 HydrophobicContact CE2-CZ 3.38Å; F219-F224 HydrophobicContact CG-CE2 4.15Å; F219-F224 HydrophobicContact CG-CZ 4.25Å; F219-F224 HydrophobicContact CZ-CD2 4.38Å; F219-F224 AromaticContact CZ-CE1 3.99Å; F219-F224 HydrophobicContact CZ-CE1 3.99Å; F219-F224 AromaticContact CZ-CE2 3.41Å; F219-F224 HydrophobicContact CZ-CE2 3.41Å; F219-F224 VanDerWaalsContact CZ-CE2 3.41Å; F219-F224 AromaticContact CZ-CZ 3.17Å; F219-F224 HydrophobicContact CZ-CZ 3.17Å; I222-F224 HydrophobicContact CB-CD2 4.24Å; I222-F224 HydrophobicContact CB-CE1 4.48Å; I222-F224 HydrophobicContact CB-CE2 3.62Å; I222-F224 HydrophobicContact CB-CZ 3.76Å; I222-F224 HydrophobicContact CD1-CZ 4.01Å; I222-F224 HydrophobicContact CG2-CD1 4.15Å; I222-F224 HydrophobicContact CG2-CD2 4.12Å; I222-F224 HydrophobicContact CG2-CE1 3.78Å; I222-F224 HydrophobicContact CG2-CE2 3.74Å; I222-F224 HydrophobicContact CG2-CG 4.31Å; I222-F224 HydrophobicContact CG2-CZ 3.55Å; I222-F224 WeakPolarHBondContact O-CD2 3.42Å; I222-F224 WeakPolarHBondContact O-CE2 3.39Å; I222-F224 PolarHBondContact O-N 3.01Å; F224-L226 PolarHBondContact O-N 3.47Å; F224-M227 HydrophobicContact CD1-CE 3.76Å; F224-M227 HydrophobicContact CD1-SD 3.74Å; F224-M227 HydrophobicContact CE1-CE 3.93Å; F224-M227 HydrophobicContact CE1-SD 4.31Å; F224-M227 WeakPolarHBondContact O-CB 3.49Å; F224-M227 PolarHBondContact O-N 3.36Å; F224-F232 HydrophobicContact CB-CD2 4.38Å; F224-F232 HydrophobicContact CB-CE2 4.15Å; F224-F232 AromaticContact CD1-CD2 3.85Å; F224-F232 HydrophobicContact CD1-CD2 3.85Å; F224-F232 AromaticContact CD1-CE2 3.67Å; F224-F232 HydrophobicContact CD1-CE2 3.67Å; F224-F232 HydrophobicContact CE1-CE2 4.41Å; F224-F232 HydrophobicContact CG-CD2 4.48Å; F224-F232 HydrophobicContact CG-CE2 4.08Å; F224-V236 HydrophobicContact CD1-CG1 4.16Å; F224-V236 HydrophobicContact CD1-CG2 4.35Å; F224-V236 HydrophobicContact CE1-CG1 3.64Å; F224-V236 HydrophobicContact CE1-CG2 4.13Å; F224-V236 HydrophobicContact CZ-CG1 4.48Å; F224-I255 HydrophobicContact CB-CD1 4.07Å; F224-I255 HydrophobicContact CB-CG1 4.4Å; F224-I255 HydrophobicContact CB-CG2 3.83Å; F224-I255 HydrophobicContact CD2-CD1 3.57Å; F224-I255 HydrophobicContact CE2-CD1 4.16Å; F224-I255 HydrophobicContact CG-CD1 3.83Å; F224-F259 VanDerWaalsContact O-CZ 3.25Å; F224-F259 WeakPolarHBondContact O-CZ 3.46Å; F224-Y291 PolarHBondContact N-O 3.08Å
225	R	93.1	Very high	94	Very high	66 Å²	66	45.3 Å²	45.3	25%	0.249	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-62.9	-19.3	175.5	-79.8	-178.4	55.1	-143.4	-2.1	114.1	R223 L292 D294	R223-R225 PolarHBondContact O-N 3.15Å; R225-L292 VanDerWaalsContact CD-O 3.3Å; R225-L292 WeakPolarHBondContact CD-O 3.46Å; R225-L292 PolarHBondContact NH1-O 2.98Å; R225-D294 HydrophobicContact CB-CB 4.35Å; R225-D294 IonicContact CZ-OD1 3.74Å; R225-D294 IonicContact CZ-OD2 2.78Å; R225-D294 VanDerWaalsContact NH1-CB 3.32Å; R225-D294 IonicContact NH1-OD1 3.68Å; R225-D294 PolarHBondContact NH1-OD1 2.87Å; R225-D294 IonicContact NH1-OD2 3.34Å; R225-D294 PolarHBondContact NH1-OD2 2.91Å; R225-D294 IonicContact NH2-OD1 3.49Å; R225-D294 IonicContact NH2-OD2 3.73Å; R225-D294 PolarHBondContact NH2-OD2 2.8Å
226	L	94	Very high	94.1	Very high	39 Å²	39	45.3 Å²	45.3	20%	0.204	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-86.5	-6.6	174.7	-61.6	178.4	0	0	0	113.2	E193 R223 F224 D294 L295 M300	E193-L226 HydrophobicContact CB-CB 4.21Å; R223-L226 HydrophobicContact CB-CD1 3.74Å; R223-L226 HydrophobicContact CB-CG 4.11Å; R223-L226 HydrophobicContact CG-CD1 4.39Å; R223-L226 WeakPolarHBondContact O-CB 3.38Å; R223-L226 PolarHBondContact O-N 3.5Å; F224-L226 PolarHBondContact O-N 3.47Å; L226-D294 WeakPolarHBondContact CD2-O 3.22Å; L226-L295 WeakPolarHBondContact CD1-O 3.46Å; L226-M300 HydrophobicContact CB-CE 4.19Å; L226-M300 HydrophobicContact CD1-CE 4.43Å; L226-M300 HydrophobicContact CD1-SD 3.77Å
227	M	95.1	Very high	94.1	Very high	7 Å²	7	46.1 Å²	46.1	3%	0.034	22%	0.22	C	C	.	.	S	Bend	trans	-84.7	144.6	176.3	-65.2	-175.7	-175.2	0	0	111.7	E193 E194 F197 I222 F224 E229 Y231 V236	E193-M227 HydrophobicContact CB-CE 4.21Å; E193-M227 HydrophobicContact CB-CG 3.72Å; E193-M227 HydrophobicContact CG-CE 3.55Å; E193-M227 HydrophobicContact CG-CG 3.77Å; E194-M227 HydrophobicContact CG-CG 4.44Å; F197-M227 HydrophobicContact CB-CE 3.44Å; F197-M227 VanDerWaalsContact CB-CE 3.44Å; F197-M227 HydrophobicContact CG-CE 4.04Å; I222-M227 HydrophobicContact CG2-CE 3.66Å; F224-M227 HydrophobicContact CD1-CE 3.76Å; F224-M227 HydrophobicContact CD1-SD 3.74Å; F224-M227 HydrophobicContact CE1-CE 3.93Å; F224-M227 HydrophobicContact CE1-SD 4.31Å; F224-M227 WeakPolarHBondContact O-CB 3.49Å; F224-M227 PolarHBondContact O-N 3.36Å; M227-E229 PolarHBondContact O-N 2.72Å; M227-Y231 HydrophobicContact SD-CD1 4.22Å; M227-Y231 HydrophobicContact SD-CE1 4.41Å; M227-V236 HydrophobicContact SD-CG2 3.97Å
228	P	94.8	Very high	94.2	Very high	69 Å²	69	45.4 Å²	45.4	45%	0.448	21%	0.214	S	C	.	.			trans	-59.1	131.1	167.1	-21.6	33.2	0	0	0	111.3	E194 K230 Y231 F232	E194-P228 WeakPolarHBondContact OE1-CD 3.28Å; E194-P228 WeakPolarHBondContact OE1-CG 3.29Å; P228-K230 PolarHBondContact O-N 3.47Å; P228-Y231 WeakPolarHBondContact O-CB 3.28Å; P228-Y231 PolarHBondContact O-N 3.23Å; P228-F232 PolarHBondContact O-N 3.23Å
229	E	93.4	Very high	94.3	Very high	91 Å²	91	46.3 Å²	46.3	43%	0.425	22%	0.219	S	C	.	.	H	α-helix	trans	-52.4	-35.4	179.9	-81.6	-168.1	-132.9	0	0	113.7	M227 F232 K233 F259	M227-E229 PolarHBondContact O-N 2.72Å; E229-F232 PolarHBondContact O-N 3.13Å; E229-K233 WeakPolarHBondContact O-CG 3.41Å; E229-K233 PolarHBondContact O-N 3.37Å; E229-K233 IonicContact OE2-NZ 2.63Å; E229-K233 PolarHBondContact OE2-NZ 2.85Å; E229-F259 HydrophobicContact CG-CB 4.42Å; E229-F259 HydrophobicContact CG-CD1 3.74Å; E229-F259 HydrophobicContact CG-CE1 4.04Å; E229-F259 HydrophobicContact CG-CG 4.01Å
230	K	94.7	Very high	94.3	Very high	158 Å²	158	52.1 Å²	52.1	69%	0.687	25%	0.25	S	S	*	.	H	α-helix	trans	-62.5	-47.1	177.7	-173.2	-178.1	178.7	-175.8	0	110.9	P228 K233 D234	P228-K230 PolarHBondContact O-N 3.47Å; K230-K233 PolarHBondContact O-N 2.89Å; K230-D234 WeakPolarHBondContact O-CB 3.38Å; K230-D234 PolarHBondContact O-N 3.33Å
231	Y	95.9	Very high	94.4	Very high	38 Å²	38	50 Å²	50	15%	0.149	24%	0.239	C	C	.	.	H	α-helix	trans	-63.7	-44.8	177.8	-176.8	-84.2	0	0	0	110.9	E194 F197 E198 M227 P228 K233 D234 H235 V236	E194-Y231 HydrophobicContact CB-CD1 4.34Å; E194-Y231 HydrophobicContact CB-CE1 3.86Å; E194-Y231 HydrophobicContact CB-CE2 4.1Å; E194-Y231 HydrophobicContact CG-CD1 3.47Å; E194-Y231 VanDerWaalsContact CG-CD1 3.47Å; E194-Y231 HydrophobicContact CG-CD2 3.88Å; E194-Y231 HydrophobicContact CG-CE1 3.51Å; E194-Y231 HydrophobicContact CG-CE2 3.88Å; E194-Y231 HydrophobicContact CG-CG 3.67Å; F197-Y231 HydrophobicContact CD1-CE1 4.24Å; E198-Y231 VanDerWaalsContact CG-OH 3.32Å; E198-Y231 WeakPolarHBondContact CG-OH 2.97Å; E198-Y231 PolarHBondContact OE1-OH 3.01Å; M227-Y231 HydrophobicContact SD-CD1 4.22Å; M227-Y231 HydrophobicContact SD-CE1 4.41Å; P228-Y231 WeakPolarHBondContact O-CB 3.28Å; P228-Y231 PolarHBondContact O-N 3.23Å; Y231-K233 PolarHBondContact O-N 3.48Å; Y231-D234 PolarHBondContact O-N 3.16Å; Y231-H235 HydrophobicContact CD1-CB 4.23Å; Y231-H235 AromaticContact CD2-CD2 3.37Å; Y231-H235 WeakPolarHBondContact CD2-CD2 3.45Å; Y231-H235 HydrophobicContact CE1-CB 3.83Å; Y231-H235 HydrophobicContact CE2-CB 4.24Å; Y231-H235 AromaticContact CE2-CD2 3.48Å; Y231-H235 VanDerWaalsContact CE2-CD2 3.48Å; Y231-H235 WeakPolarHBondContact CE2-CD2 3.24Å; Y231-H235 AromaticContact CE2-CG 3.82Å; Y231-H235 AromaticContact CG-CD2 3.84Å; Y231-H235 AromaticContact CZ-CG 3.93Å; Y231-H235 WeakPolarHBondContact O-CB 3.3Å; Y231-H235 PolarHBondContact O-N 2.66Å; Y231-V236 HydrophobicContact CE1-CG2 4.41Å
232	F	95.2	Very high	94.3	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.009	23%	0.233	C	C	.	.	I	π-helix	trans	-55.4	-48.5	177.4	-177.1	-93.6	0	0	0	112.2	F224 P228 E229 D234 V236 E237 I252 I255 K256 F259	F224-F232 HydrophobicContact CB-CD2 4.38Å; F224-F232 HydrophobicContact CB-CE2 4.15Å; F224-F232 AromaticContact CD1-CD2 3.85Å; F224-F232 HydrophobicContact CD1-CD2 3.85Å; F224-F232 AromaticContact CD1-CE2 3.67Å; F224-F232 HydrophobicContact CD1-CE2 3.67Å; F224-F232 HydrophobicContact CE1-CE2 4.41Å; F224-F232 HydrophobicContact CG-CD2 4.48Å; F224-F232 HydrophobicContact CG-CE2 4.08Å; P228-F232 PolarHBondContact O-N 3.23Å; E229-F232 PolarHBondContact O-N 3.13Å; F232-D234 PolarHBondContact O-N 3.02Å; F232-V236 HydrophobicContact CD2-CB 3.81Å; F232-V236 HydrophobicContact CD2-CG1 4.02Å; F232-V236 HydrophobicContact CD2-CG2 3.92Å; F232-V236 HydrophobicContact CE2-CB 4.05Å; F232-V236 HydrophobicContact CE2-CG1 3.75Å; F232-V236 HydrophobicContact CE2-CG2 4.49Å; F232-V236 HydrophobicContact CG-CB 4.32Å; F232-V236 HydrophobicContact CZ-CG1 4.43Å; F232-V236 WeakPolarHBondContact O-CA 3.27Å; F232-V236 WeakPolarHBondContact O-CB 3.36Å; F232-V236 PolarHBondContact O-N 3.08Å; F232-E237 HydrophobicContact CD1-CG 3.87Å; F232-E237 HydrophobicContact CE1-CG 3.56Å; F232-E237 WeakPolarHBondContact CE1-OE1 3.34Å; F232-E237 HydrophobicContact CZ-CG 4.31Å; F232-E237 PolarHBondContact O-N 3.45Å; F232-I252 HydrophobicContact CE1-CG2 4.4Å; F232-I252 HydrophobicContact CE2-CD1 3.96Å; F232-I252 HydrophobicContact CZ-CD1 3.57Å; F232-I252 HydrophobicContact CZ-CG2 4.2Å; F232-I255 HydrophobicContact CD2-CG2 4.39Å; F232-I255 HydrophobicContact CE1-CG2 4.27Å; F232-I255 HydrophobicContact CE2-CB 4.39Å; F232-I255 HydrophobicContact CE2-CD1 4.35Å; F232-I255 HydrophobicContact CE2-CG2 3.6Å; F232-I255 HydrophobicContact CZ-CB 4Å; F232-I255 HydrophobicContact CZ-CD1 4.46Å; F232-I255 HydrophobicContact CZ-CG2 3.52Å; F232-K256 HydrophobicContact CE1-CG 3.96Å; F232-F259 HydrophobicContact CB-CE2 4.26Å; F232-F259 HydrophobicContact CB-CZ 4.49Å; F232-F259 AromaticContact CD1-CE2 3.96Å; F232-F259 HydrophobicContact CD1-CE2 3.96Å; F232-F259 HydrophobicContact CD2-CE2 4.05Å; F232-F259 HydrophobicContact CE1-CE2 4.3Å; F232-F259 HydrophobicContact CE2-CE2 4.39Å; F232-F259 AromaticContact CG-CE2 3.82Å; F232-F259 HydrophobicContact CG-CE2 3.82Å; F232-F259 HydrophobicContact CG-CZ 4.44Å; F232-F259 HydrophobicContact CZ-CE2 4.5Å
233	K	93.5	Very high	94.2	Very high	93 Å²	93	54.4 Å²	54.4	40%	0.404	26%	0.256	S	S	.	.	I	π-helix	trans	-65.5	-36.3	178.4	-72.1	168.2	-171.7	158.1	0	113	E229 K230 Y231	E229-K233 WeakPolarHBondContact O-CG 3.41Å; E229-K233 PolarHBondContact O-N 3.37Å; E229-K233 IonicContact OE2-NZ 2.63Å; E229-K233 PolarHBondContact OE2-NZ 2.85Å; K230-K233 PolarHBondContact O-N 2.89Å; Y231-K233 PolarHBondContact O-N 3.48Å
234	D	94.4	Very high	94	Very high	65 Å²	65	58.4 Å²	58.4	35%	0.348	29%	0.285	S	S	.	.	I	π-helix	trans	-87.2	-27.9	-174	-75.5	-29.2	0	0	0	114.1	K230 Y231 F232 K238	K230-D234 WeakPolarHBondContact O-CB 3.38Å; K230-D234 PolarHBondContact O-N 3.33Å; Y231-D234 PolarHBondContact O-N 3.16Å; F232-D234 PolarHBondContact O-N 3.02Å; D234-K238 WeakPolarHBondContact O-CD 3.49Å; D234-K238 IonicContact OD1-NZ 2.75Å; D234-K238 PolarHBondContact OD1-NZ 3.44Å
235	H	94.1	Very high	93.9	Very high	101 Å²	101	59.9 Å²	59.9	47%	0.468	29%	0.293	S	S	.	.	I	π-helix	trans	-118.7	-42.8	-173.5	-63.8	-79.3	0	0	0	113.4	Y231	Y231-H235 HydrophobicContact CD1-CB 4.23Å; Y231-H235 AromaticContact CD2-CD2 3.37Å; Y231-H235 WeakPolarHBondContact CD2-CD2 3.45Å; Y231-H235 HydrophobicContact CE1-CB 3.83Å; Y231-H235 HydrophobicContact CE2-CB 4.24Å; Y231-H235 AromaticContact CE2-CD2 3.48Å; Y231-H235 VanDerWaalsContact CE2-CD2 3.48Å; Y231-H235 WeakPolarHBondContact CE2-CD2 3.24Å; Y231-H235 AromaticContact CE2-CG 3.82Å; Y231-H235 AromaticContact CG-CD2 3.84Å; Y231-H235 AromaticContact CZ-CG 3.93Å; Y231-H235 WeakPolarHBondContact O-CB 3.3Å; Y231-H235 PolarHBondContact O-N 2.66Å
236	V	94.4	Very high	93.8	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	31%	0.308	C	S	.	.	I	π-helix	trans	-80.6	-54	-176.4	-174.5	0	0	0	0	110.7	F197 F224 M227 Y231 F232 K238 D239 I242 I252	F197-V236 HydrophobicContact CD1-CG2 4.21Å; F197-V236 HydrophobicContact CD2-CG2 4.25Å; F197-V236 HydrophobicContact CE1-CG2 3.91Å; F197-V236 HydrophobicContact CE2-CB 4.34Å; F197-V236 HydrophobicContact CE2-CG1 3.94Å; F197-V236 HydrophobicContact CE2-CG2 3.96Å; F197-V236 HydrophobicContact CG-CG2 4.38Å; F197-V236 HydrophobicContact CZ-CB 4.15Å; F197-V236 HydrophobicContact CZ-CG1 4.2Å; F197-V236 HydrophobicContact CZ-CG2 3.79Å; F224-V236 HydrophobicContact CD1-CG1 4.16Å; F224-V236 HydrophobicContact CD1-CG2 4.35Å; F224-V236 HydrophobicContact CE1-CG1 3.64Å; F224-V236 HydrophobicContact CE1-CG2 4.13Å; F224-V236 HydrophobicContact CZ-CG1 4.48Å; M227-V236 HydrophobicContact SD-CG2 3.97Å; Y231-V236 HydrophobicContact CE1-CG2 4.41Å; F232-V236 HydrophobicContact CD2-CB 3.81Å; F232-V236 HydrophobicContact CD2-CG1 4.02Å; F232-V236 HydrophobicContact CD2-CG2 3.92Å; F232-V236 HydrophobicContact CE2-CB 4.05Å; F232-V236 HydrophobicContact CE2-CG1 3.75Å; F232-V236 HydrophobicContact CE2-CG2 4.49Å; F232-V236 HydrophobicContact CG-CB 4.32Å; F232-V236 HydrophobicContact CZ-CG1 4.43Å; F232-V236 WeakPolarHBondContact O-CA 3.27Å; F232-V236 WeakPolarHBondContact O-CB 3.36Å; F232-V236 PolarHBondContact O-N 3.08Å; V236-K238 PolarHBondContact O-N 3.11Å; V236-D239 PolarHBondContact O-N 3.2Å; V236-I242 HydrophobicContact CG1-CD1 3.96Å; V236-I242 WeakPolarHBondContact O-CD1 3.43Å; V236-I252 HydrophobicContact CG1-CD1 3.71Å
237	E	92.3	Very high	93.6	Very high	40 Å²	40	63 Å²	63	19%	0.187	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-30.1	-179.2	-67.4	-169	-165.3	0	0	112.6	F232 K243 I252 K256	F232-E237 HydrophobicContact CD1-CG 3.87Å; F232-E237 HydrophobicContact CE1-CG 3.56Å; F232-E237 WeakPolarHBondContact CE1-OE1 3.34Å; F232-E237 HydrophobicContact CZ-CG 4.31Å; F232-E237 PolarHBondContact O-N 3.45Å; E237-K243 VanDerWaalsContact O-CE 3.27Å; E237-K243 WeakPolarHBondContact O-CE 3.32Å; E237-I252 HydrophobicContact CG-CG2 4.07Å; E237-K256 VanDerWaalsContact CD-NZ 3.26Å; E237-K256 WeakPolarHBondContact OE1-CD 3.29Å; E237-K256 VanDerWaalsContact OE1-CE 3.22Å; E237-K256 WeakPolarHBondContact OE1-CE 3.4Å; E237-K256 IonicContact OE1-NZ 2.92Å; E237-K256 PolarHBondContact OE1-NZ 3.17Å; E237-K256 IonicContact OE2-NZ 2.87Å; E237-K256 PolarHBondContact OE2-NZ 2.85Å
238	K	93.4	Very high	93.5	Very high	110 Å²	110	62.6 Å²	62.6	48%	0.478	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-13.4	-175	-73.4	-179.6	-169.7	161	0	113.7	D234 V236 K243	D234-K238 WeakPolarHBondContact O-CD 3.49Å; D234-K238 IonicContact OD1-NZ 2.75Å; D234-K238 PolarHBondContact OD1-NZ 3.44Å; V236-K238 PolarHBondContact O-N 3.11Å; K238-K243 WeakPolarHBondContact O-CE 3.49Å; K238-K243 PolarHBondContact O-NZ 2.85Å
239	D	95.5	Very high	93.4	Very high	18 Å²	18	62.7 Å²	62.7	10%	0.096	31%	0.313	C	S	.	.			trans	-62.8	134.8	-177.6	-175.1	-89.1	0	0	0	112.8	M201 R205 V236 I241 I242 K243	M201-D239 VanDerWaalsContact CE-OD1 3.26Å; M201-D239 WeakPolarHBondContact CE-OD1 3.35Å; R205-D239 IonicContact CZ-OD2 2.86Å; R205-D239 IonicContact NH2-OD2 3.36Å; R205-D239 PolarHBondContact NH2-OD2 3.19Å; V236-D239 PolarHBondContact O-N 3.2Å; D239-I241 PolarHBondContact O-N 3.34Å; D239-I241 WeakPolarHBondContact OD1-CA 3.4Å; D239-I241 VanDerWaalsContact OD1-CB 3.31Å; D239-I241 WeakPolarHBondContact OD1-CB 3.24Å; D239-I241 PolarHBondContact OD1-N 3.04Å; D239-I242 HydrophobicContact CB-CB 4.19Å; D239-I242 HydrophobicContact CB-CD1 3.94Å; D239-I242 HydrophobicContact CB-CG1 4.07Å; D239-I242 PolarHBondContact O-N 3.44Å; D239-I242 PolarHBondContact OD1-N 2.92Å; D239-K243 WeakPolarHBondContact O-CB 3.3Å; D239-K243 WeakPolarHBondContact O-CG 3.45Å; D239-K243 PolarHBondContact O-N 2.85Å
240	D	93.8	Very high	93.4	Very high	123 Å²	123	64.5 Å²	64.5	66%	0.658	32%	0.32	S	S	*	.	H	α-helix	trans	-68.3	-35.2	-173.6	-61.9	-32.9	0	0	0	113	S244	D240-S244 WeakPolarHBondContact O-CB 3.27Å; D240-S244 PolarHBondContact O-N 2.69Å; D240-S244 PolarHBondContact O-OG 3.36Å
241	I	93.5	Very high	93.3	Very high	7 Å²	7	58.6 Å²	58.6	4%	0.036	29%	0.294	C	S	.	.	H	α-helix	trans	-68.4	-45.3	178.8	-59.2	178.9	0	0	0	108.9	M201 V204 R205 V212 L215 D239 K243 S244 N245	M201-I241 HydrophobicContact CE-CB 4.18Å; M201-I241 HydrophobicContact CE-CD1 4.14Å; V204-I241 HydrophobicContact CG1-CD1 3.99Å; R205-I241 HydrophobicContact CG-CD1 3.86Å; V212-I241 HydrophobicContact CG2-CG2 3.8Å; L215-I241 HydrophobicContact CD2-CG2 3.8Å; D239-I241 PolarHBondContact O-N 3.34Å; D239-I241 WeakPolarHBondContact OD1-CA 3.4Å; D239-I241 VanDerWaalsContact OD1-CB 3.31Å; D239-I241 WeakPolarHBondContact OD1-CB 3.24Å; D239-I241 PolarHBondContact OD1-N 3.04Å; I241-K243 PolarHBondContact O-N 3.39Å; I241-S244 PolarHBondContact O-N 3.08Å; I241-S244 PolarHBondContact O-OG 3.04Å; I241-N245 PolarHBondContact O-N 2.86Å
242	I	93.4	Very high	93.1	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-64.7	-41.2	179.4	-61.2	177.8	0	0	0	111	F197 M201 F219 V236 D239 N245 L248 Q249 I252	F197-I242 HydrophobicContact CE2-CD1 3.74Å; F197-I242 HydrophobicContact CZ-CD1 3.99Å; M201-I242 HydrophobicContact CE-CG1 4.41Å; M201-I242 HydrophobicContact SD-CD1 4.37Å; F219-I242 HydrophobicContact CE2-CD1 4.02Å; V236-I242 HydrophobicContact CG1-CD1 3.96Å; V236-I242 WeakPolarHBondContact O-CD1 3.43Å; D239-I242 HydrophobicContact CB-CB 4.19Å; D239-I242 HydrophobicContact CB-CD1 3.94Å; D239-I242 HydrophobicContact CB-CG1 4.07Å; D239-I242 PolarHBondContact O-N 3.44Å; D239-I242 PolarHBondContact OD1-N 2.92Å; I242-N245 PolarHBondContact O-N 3.45Å; I242-L248 HydrophobicContact CG1-CD1 4.39Å; I242-L248 HydrophobicContact CG2-CB 4.23Å; I242-Q249 PolarHBondContact O-NE2 2.87Å; I242-I252 HydrophobicContact CG2-CD1 4.14Å; I242-I252 HydrophobicContact CG2-CG1 3.85Å
243	K	93.4	Very high	93	Very high	109 Å²	109	63.8 Å²	63.8	47%	0.474	32%	0.318	S	S	.	.	H	α-helix	trans	-63.2	-39.1	174.9	-79.5	173.5	176.4	158.8	0	113.4	E237 K238 D239 I241 N245	E237-K243 VanDerWaalsContact O-CE 3.27Å; E237-K243 WeakPolarHBondContact O-CE 3.32Å; K238-K243 WeakPolarHBondContact O-CE 3.49Å; K238-K243 PolarHBondContact O-NZ 2.85Å; D239-K243 WeakPolarHBondContact O-CB 3.3Å; D239-K243 WeakPolarHBondContact O-CG 3.45Å; D239-K243 PolarHBondContact O-N 2.85Å; I241-K243 PolarHBondContact O-N 3.39Å; K243-N245 VanDerWaalsContact C-N 3.25Å; K243-N245 PolarHBondContact O-N 3.13Å
244	S	91.6	Very high	92.9	Very high	90 Å²	90	62 Å²	62	63%	0.629	31%	0.312	S	S	*	.	H	α-helix	trans	-73.2	-17.1	-178.2	68.8	0	0	0	0	113.7	D240 I241	D240-S244 WeakPolarHBondContact O-CB 3.27Å; D240-S244 PolarHBondContact O-N 2.69Å; D240-S244 PolarHBondContact O-OG 3.36Å; I241-S244 PolarHBondContact O-N 3.08Å; I241-S244 PolarHBondContact O-OG 3.04Å
245	N	91.9	Very high	92.8	Very high	31 Å²	31	58.9 Å²	58.9	17%	0.166	30%	0.295	C	S	.	.			trans	-101.2	111.9	-177.4	-173.7	-43.9	0	0	0	111.4	I241 I242 K243 D247 L248 Q249	I241-N245 PolarHBondContact O-N 2.86Å; I242-N245 PolarHBondContact O-N 3.45Å; K243-N245 VanDerWaalsContact C-N 3.25Å; K243-N245 PolarHBondContact O-N 3.13Å; N245-D247 VanDerWaalsContact C-N 3.28Å; N245-D247 PolarHBondContact O-N 2.89Å; N245-D247 PolarHBondContact OD1-N 3.27Å; N245-L248 HydrophobicContact CB-CB 4.13Å; N245-L248 HydrophobicContact CB-CD1 3.92Å; N245-L248 HydrophobicContact CB-CG 4.01Å; N245-L248 PolarHBondContact O-N 3.49Å; N245-L248 PolarHBondContact OD1-N 3.19Å; N245-L248 VanDerWaalsContact OD1-N 3.14Å; N245-Q249 WeakPolarHBondContact O-CG 3.48Å; N245-Q249 PolarHBondContact O-N 3.33Å
246	S	91.3	Very high	92.7	Very high	81 Å²	81	58.2 Å²	58.2	57%	0.566	29%	0.291	S	S	*	.	H	α-helix	trans	-62.2	-31.1	-177.4	54.6	0	0	0	0	114.3	K250	S246-K250 WeakPolarHBondContact O-CG 3.47Å; S246-K250 PolarHBondContact O-N 3.31Å
247	D	90.8	Very high	92.5	Very high	89 Å²	89	61.4 Å²	61.4	48%	0.476	31%	0.308	S	S	.	.	H	α-helix	trans	-78.7	-38.4	-178.6	-65.6	-35.4	0	0	0	111.4	N245 Q249 K250 K251	N245-D247 VanDerWaalsContact C-N 3.28Å; N245-D247 PolarHBondContact O-N 2.89Å; N245-D247 PolarHBondContact OD1-N 3.27Å; D247-Q249 VanDerWaalsContact C-N 3.3Å; D247-Q249 PolarHBondContact O-N 3.42Å; D247-K250 WeakPolarHBondContact O-CB 3.13Å; D247-K250 PolarHBondContact O-N 3.34Å; D247-K250 IonicContact OD1-NZ 2.81Å; D247-K250 PolarHBondContact OD1-NZ 3.31Å; D247-K251 PolarHBondContact O-N 3.04Å
248	L	92.3	Very high	92.4	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-63.6	-37.7	171	-62.6	-178.3	0	0	0	111.2	L215 F219 I242 N245 K250 K251 I252	L215-L248 HydrophobicContact CD2-CD1 3.59Å; L215-L248 HydrophobicContact CG-CD1 3.88Å; F219-L248 HydrophobicContact CB-CD2 3.93Å; F219-L248 HydrophobicContact CD1-CD2 4.09Å; F219-L248 HydrophobicContact CD2-CD2 3.91Å; F219-L248 HydrophobicContact CE2-CD2 4.41Å; F219-L248 HydrophobicContact CG-CD2 3.72Å; I242-L248 HydrophobicContact CG1-CD1 4.39Å; I242-L248 HydrophobicContact CG2-CB 4.23Å; N245-L248 HydrophobicContact CB-CB 4.13Å; N245-L248 HydrophobicContact CB-CD1 3.92Å; N245-L248 HydrophobicContact CB-CG 4.01Å; N245-L248 PolarHBondContact O-N 3.49Å; N245-L248 PolarHBondContact OD1-N 3.19Å; N245-L248 VanDerWaalsContact OD1-N 3.14Å; L248-K250 VanDerWaalsContact C-N 3.28Å; L248-K250 PolarHBondContact O-N 2.93Å; L248-K251 HydrophobicContact CD2-CD 4.43Å; L248-K251 PolarHBondContact O-N 3.35Å; L248-K251 VanDerWaalsContact O-N 3.11Å; L248-I252 VanDerWaalsContact O-CG1 3.31Å; L248-I252 WeakPolarHBondContact O-CG1 3.47Å; L248-I252 PolarHBondContact O-N 3.26Å
249	Q	93.3	Very high	92.1	Very high	70 Å²	70	57.1 Å²	57.1	33%	0.327	29%	0.291	S	S	.	.	H	α-helix	trans	-60.2	-35.5	174	-72.6	-59.3	-59.7	0	0	113.1	I242 N245 D247 K253	I242-Q249 PolarHBondContact O-NE2 2.87Å; N245-Q249 WeakPolarHBondContact O-CG 3.48Å; N245-Q249 PolarHBondContact O-N 3.33Å; D247-Q249 VanDerWaalsContact C-N 3.3Å; D247-Q249 PolarHBondContact O-N 3.42Å; Q249-K253 PolarHBondContact O-N 2.88Å
250	K	92.1	Very high	91.7	Very high	129 Å²	129	59.8 Å²	59.8	56%	0.561	32%	0.315	S	S	*	.	H	α-helix	trans	-64.2	-46	172.4	-65.4	168.1	-168.2	158.3	0	110.9	S246 D247 L248 I252 K253 I254	S246-K250 WeakPolarHBondContact O-CG 3.47Å; S246-K250 PolarHBondContact O-N 3.31Å; D247-K250 WeakPolarHBondContact O-CB 3.13Å; D247-K250 PolarHBondContact O-N 3.34Å; D247-K250 IonicContact OD1-NZ 2.81Å; D247-K250 PolarHBondContact OD1-NZ 3.31Å; L248-K250 VanDerWaalsContact C-N 3.28Å; L248-K250 PolarHBondContact O-N 2.93Å; K250-I252 PolarHBondContact O-N 2.99Å; K250-K253 WeakPolarHBondContact O-CB 3.42Å; K250-K253 PolarHBondContact O-N 2.99Å; K250-I254 WeakPolarHBondContact O-CG1 3.41Å; K250-I254 PolarHBondContact O-N 2.89Å; K250-I254 VanDerWaalsContact O-N 3.14Å
251	K	92.9	Very high	91.2	Very high	35 Å²	35	57 Å²	57	15%	0.152	32%	0.315	C	S	.	.	H	α-helix	trans	-60.7	-43.8	176.4	-63.8	-174	-175.5	-171	0	111.5	G216 F219 D220 D247 L248 K253 I254 I255 Y291	G216-K251 PolarHBondContact O-NZ 3.47Å; F219-K251 HydrophobicContact CD1-CD 4Å; F219-K251 HydrophobicContact CE1-CB 4.15Å; F219-K251 HydrophobicContact CE1-CD 4.47Å; D220-K251 WeakPolarHBondContact OD1-CE 3.28Å; D220-K251 IonicContact OD1-NZ 2.86Å; D220-K251 PolarHBondContact OD1-NZ 3Å; D220-K251 IonicContact OD2-NZ 2.63Å; D220-K251 PolarHBondContact OD2-NZ 3.18Å; D247-K251 PolarHBondContact O-N 3.04Å; L248-K251 HydrophobicContact CD2-CD 4.43Å; L248-K251 PolarHBondContact O-N 3.35Å; L248-K251 VanDerWaalsContact O-N 3.11Å; K251-K253 VanDerWaalsContact C-N 3.32Å; K251-K253 PolarHBondContact O-N 3.03Å; K251-I254 WeakPolarHBondContact O-CB 3.37Å; K251-I254 PolarHBondContact O-N 3.07Å; K251-I254 VanDerWaalsContact O-N 3.13Å; K251-I255 VanDerWaalsContact O-CG1 3.3Å; K251-I255 WeakPolarHBondContact O-CG1 3.38Å; K251-I255 PolarHBondContact O-N 3.23Å; K251-Y291 HydrophobicContact CB-CE2 4.36Å; K251-Y291 HydrophobicContact CD-CD1 4.29Å; K251-Y291 HydrophobicContact CD-CE1 4Å; K251-Y291 HydrophobicContact CG-CE1 4.28Å
252	I	93.1	Very high	90.9	Very high	6 Å²	6	63.4 Å²	63.4	3%	0.031	34%	0.343	C	S	.	.	H	α-helix	trans	-56.8	-44.6	174.7	-68.9	-67.5	0	0	0	111.3	F219 F232 V236 E237 I242 L248 K250 I254 I255 K256	F219-I252 HydrophobicContact CZ-CD1 3.93Å; F232-I252 HydrophobicContact CE1-CG2 4.4Å; F232-I252 HydrophobicContact CE2-CD1 3.96Å; F232-I252 HydrophobicContact CZ-CD1 3.57Å; F232-I252 HydrophobicContact CZ-CG2 4.2Å; V236-I252 HydrophobicContact CG1-CD1 3.71Å; E237-I252 HydrophobicContact CG-CG2 4.07Å; I242-I252 HydrophobicContact CG2-CD1 4.14Å; I242-I252 HydrophobicContact CG2-CG1 3.85Å; L248-I252 VanDerWaalsContact O-CG1 3.31Å; L248-I252 WeakPolarHBondContact O-CG1 3.47Å; L248-I252 PolarHBondContact O-N 3.26Å; K250-I252 PolarHBondContact O-N 2.99Å; I252-I254 VanDerWaalsContact C-N 3.33Å; I252-I254 PolarHBondContact O-N 2.84Å; I252-I255 PolarHBondContact O-N 2.83Å; I252-K256 HydrophobicContact CG2-CD 4.13Å; I252-K256 VanDerWaalsContact O-CG 3.31Å; I252-K256 WeakPolarHBondContact O-CG 3.42Å; I252-K256 PolarHBondContact O-N 3Å
253	K	91.4	Very high	90.4	Very high	143 Å²	143	67.4 Å²	67.4	62%	0.622	36%	0.364	S	S	*	.	H	α-helix	trans	-59.5	-44.8	176.8	-173.5	-177.8	175.6	-173.4	0	111.7	Q249 K250 K251 I255 K256 D257	Q249-K253 PolarHBondContact O-N 2.88Å; K250-K253 WeakPolarHBondContact O-CB 3.42Å; K250-K253 PolarHBondContact O-N 2.99Å; K251-K253 VanDerWaalsContact C-N 3.32Å; K251-K253 PolarHBondContact O-N 3.03Å; K253-I255 VanDerWaalsContact C-N 3.35Å; K253-I255 PolarHBondContact O-N 2.81Å; K253-K256 WeakPolarHBondContact O-CB 3.31Å; K253-K256 PolarHBondContact O-N 3.34Å; K253-D257 PolarHBondContact O-N 3.4Å
254	I	92.6	Very high	89.8	Confident	54 Å²	54	64.7 Å²	64.7	28%	0.277	36%	0.357	S	S	.	.	H	α-helix	trans	-61.4	-43.6	176.9	-62.8	167.2	0	0	0	110.8	K250 K251 I252 K256 D257 A258 P264 Y291 L292	K250-I254 WeakPolarHBondContact O-CG1 3.41Å; K250-I254 PolarHBondContact O-N 2.89Å; K250-I254 VanDerWaalsContact O-N 3.14Å; K251-I254 WeakPolarHBondContact O-CB 3.37Å; K251-I254 PolarHBondContact O-N 3.07Å; K251-I254 VanDerWaalsContact O-N 3.13Å; I252-I254 VanDerWaalsContact C-N 3.33Å; I252-I254 PolarHBondContact O-N 2.84Å; I254-K256 VanDerWaalsContact C-N 3.3Å; I254-K256 PolarHBondContact O-N 3.26Å; I254-D257 PolarHBondContact O-N 2.96Å; I254-A258 WeakPolarHBondContact O-CB 3.43Å; I254-A258 PolarHBondContact O-N 2.91Å; I254-P264 HydrophobicContact CG2-CG 3.82Å; I254-Y291 HydrophobicContact CG2-CE2 4.25Å; I254-L292 HydrophobicContact CG2-CD1 3.84Å; I254-L292 HydrophobicContact CG2-CD2 4.33Å
255	I	92.3	Very high	88.5	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-61.3	-40.1	177.5	-66.1	159.9	0	0	0	111.1	F219 F224 F232 K251 I252 K253 A258 F259 Y291 L292	F219-I255 HydrophobicContact CE1-CD1 3.96Å; F219-I255 HydrophobicContact CZ-CD1 4.45Å; F224-I255 HydrophobicContact CB-CD1 4.07Å; F224-I255 HydrophobicContact CB-CG1 4.4Å; F224-I255 HydrophobicContact CB-CG2 3.83Å; F224-I255 HydrophobicContact CD2-CD1 3.57Å; F224-I255 HydrophobicContact CE2-CD1 4.16Å; F224-I255 HydrophobicContact CG-CD1 3.83Å; F232-I255 HydrophobicContact CD2-CG2 4.39Å; F232-I255 HydrophobicContact CE1-CG2 4.27Å; F232-I255 HydrophobicContact CE2-CB 4.39Å; F232-I255 HydrophobicContact CE2-CD1 4.35Å; F232-I255 HydrophobicContact CE2-CG2 3.6Å; F232-I255 HydrophobicContact CZ-CB 4Å; F232-I255 HydrophobicContact CZ-CD1 4.46Å; F232-I255 HydrophobicContact CZ-CG2 3.52Å; K251-I255 VanDerWaalsContact O-CG1 3.3Å; K251-I255 WeakPolarHBondContact O-CG1 3.38Å; K251-I255 PolarHBondContact O-N 3.23Å; I252-I255 PolarHBondContact O-N 2.83Å; K253-I255 VanDerWaalsContact C-N 3.35Å; K253-I255 PolarHBondContact O-N 2.81Å; I255-A258 WeakPolarHBondContact O-CB 3.49Å; I255-A258 PolarHBondContact O-N 3.02Å; I255-F259 HydrophobicContact CG2-CD2 3.83Å; I255-F259 HydrophobicContact CG2-CE2 3.52Å; I255-F259 HydrophobicContact CG2-CZ 4.44Å; I255-F259 VanDerWaalsContact O-CD2 3.26Å; I255-F259 WeakPolarHBondContact O-CD2 3.4Å; I255-F259 PolarHBondContact O-N 3.1Å; I255-Y291 HydrophobicContact CD1-CD2 3.97Å; I255-Y291 HydrophobicContact CG1-CD2 3.75Å; I255-Y291 HydrophobicContact CG1-CE2 4.35Å; I255-L292 HydrophobicContact CG1-CD2 3.93Å
256	K	91.6	Very high	86.7	Confident	88 Å²	88	69.7 Å²	69.7	38%	0.383	38%	0.383	S	S	.	.	H	α-helix	trans	-65.1	-42.4	176.1	-68.6	174.7	77.6	139.8	0	112.3	F232 E237 I252 K253 I254 A258 F259 A260	F232-K256 HydrophobicContact CE1-CG 3.96Å; E237-K256 VanDerWaalsContact CD-NZ 3.26Å; E237-K256 WeakPolarHBondContact OE1-CD 3.29Å; E237-K256 VanDerWaalsContact OE1-CE 3.22Å; E237-K256 WeakPolarHBondContact OE1-CE 3.4Å; E237-K256 IonicContact OE1-NZ 2.92Å; E237-K256 PolarHBondContact OE1-NZ 3.17Å; E237-K256 IonicContact OE2-NZ 2.87Å; E237-K256 PolarHBondContact OE2-NZ 2.85Å; I252-K256 HydrophobicContact CG2-CD 4.13Å; I252-K256 VanDerWaalsContact O-CG 3.31Å; I252-K256 WeakPolarHBondContact O-CG 3.42Å; I252-K256 PolarHBondContact O-N 3Å; K253-K256 WeakPolarHBondContact O-CB 3.31Å; K253-K256 PolarHBondContact O-N 3.34Å; I254-K256 VanDerWaalsContact C-N 3.3Å; I254-K256 PolarHBondContact O-N 3.26Å; K256-A258 VanDerWaalsContact C-N 3.27Å; K256-A258 PolarHBondContact O-N 3.39Å; K256-F259 PolarHBondContact O-N 3.49Å; K256-A260 PolarHBondContact O-N 3.47Å; K256-A260 VanDerWaalsContact O-N 3.1Å
257	D	90.6	Very high	84.4	Confident	66 Å²	66	70.3 Å²	70.3	35%	0.353	39%	0.387	S	S	.	.	H	α-helix	trans	-62.1	-39.8	174.7	-71.4	-27	0	0	0	110.2	K253 I254 A260 G261 K262	K253-D257 PolarHBondContact O-N 3.4Å; I254-D257 PolarHBondContact O-N 2.96Å; D257-A260 CarbonylContact O-C 3.53Å; D257-A260 WeakPolarHBondContact O-CA 3.04Å; D257-A260 WeakPolarHBondContact O-CB 3.43Å; D257-A260 PolarHBondContact O-N 3.15Å; D257-A260 VanDerWaalsContact O-N 3.08Å; D257-G261 PolarHBondContact O-N 2.91Å; D257-K262 CarbonylContact C-O 3.4Å; D257-K262 HydrophobicContact CB-CB 4.19Å; D257-K262 WeakPolarHBondContact O-CA 3.43Å; D257-K262 WeakPolarHBondContact O-CB 3.25Å; D257-K262 PolarHBondContact O-N 3.28Å
258	A	88.9	Confident	81.9	Confident	9 Å²	9	75 Å²	75	7%	0.074	40%	0.403	C	S	.	.	H	α-helix	trans	-64.5	-41.5	175.4	0	0	0	0	0	113	I254 I255 K256 A260 G261 K262 L263 L292	I254-A258 WeakPolarHBondContact O-CB 3.43Å; I254-A258 PolarHBondContact O-N 2.91Å; I255-A258 WeakPolarHBondContact O-CB 3.49Å; I255-A258 PolarHBondContact O-N 3.02Å; K256-A258 VanDerWaalsContact C-N 3.27Å; K256-A258 PolarHBondContact O-N 3.39Å; A258-A260 PolarHBondContact O-N 3.22Å; A258-G261 PolarHBondContact O-N 2.78Å; A258-K262 WeakPolarHBondContact CA-O 3.35Å; A258-K262 PolarHBondContact N-O 2.98Å; A258-L263 HydrophobicContact CB-CD2 3.89Å; A258-L292 HydrophobicContact CB-CD2 3.81Å
259	F	87.9	Confident	79.2	Confident	51 Å²	51	81 Å²	81	22%	0.224	45%	0.445	C	S	.	.	H	α-helix	trans	-59.8	-33.1	170.9	-79.4	-59.3	0	0	0	112.2	F224 E229 F232 I255 K256 G261	F224-F259 VanDerWaalsContact O-CZ 3.25Å; F224-F259 WeakPolarHBondContact O-CZ 3.46Å; E229-F259 HydrophobicContact CG-CB 4.42Å; E229-F259 HydrophobicContact CG-CD1 3.74Å; E229-F259 HydrophobicContact CG-CE1 4.04Å; E229-F259 HydrophobicContact CG-CG 4.01Å; F232-F259 HydrophobicContact CB-CE2 4.26Å; F232-F259 HydrophobicContact CB-CZ 4.49Å; F232-F259 AromaticContact CD1-CE2 3.96Å; F232-F259 HydrophobicContact CD1-CE2 3.96Å; F232-F259 HydrophobicContact CD2-CE2 4.05Å; F232-F259 HydrophobicContact CE1-CE2 4.3Å; F232-F259 HydrophobicContact CE2-CE2 4.39Å; F232-F259 AromaticContact CG-CE2 3.82Å; F232-F259 HydrophobicContact CG-CE2 3.82Å; F232-F259 HydrophobicContact CG-CZ 4.44Å; F232-F259 HydrophobicContact CZ-CE2 4.5Å; I255-F259 HydrophobicContact CG2-CD2 3.83Å; I255-F259 HydrophobicContact CG2-CE2 3.52Å; I255-F259 HydrophobicContact CG2-CZ 4.44Å; I255-F259 VanDerWaalsContact O-CD2 3.26Å; I255-F259 WeakPolarHBondContact O-CD2 3.4Å; I255-F259 PolarHBondContact O-N 3.1Å; K256-F259 PolarHBondContact O-N 3.49Å; F259-G261 PolarHBondContact O-N 2.66Å
260	A	86.6	Confident	76.5	Confident	74 Å²	74	83.9 Å²	83.9	61%	0.612	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	7.9	174	0	0	0	0	0	113.8	K256 D257 A258	K256-A260 PolarHBondContact O-N 3.47Å; K256-A260 VanDerWaalsContact O-N 3.1Å; D257-A260 CarbonylContact O-C 3.53Å; D257-A260 WeakPolarHBondContact O-CA 3.04Å; D257-A260 WeakPolarHBondContact O-CB 3.43Å; D257-A260 PolarHBondContact O-N 3.15Å; D257-A260 VanDerWaalsContact O-N 3.08Å; A258-A260 PolarHBondContact O-N 3.22Å
261	G	84.5	Confident	73.6	Confident	64 Å²	64	86.5 Å²	86.5	66%	0.66	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.3	10.9	178.8	0	0	0	0	0	115.2	D257 A258 F259	D257-G261 PolarHBondContact O-N 2.91Å; A258-G261 PolarHBondContact O-N 2.78Å; F259-G261 PolarHBondContact O-N 2.66Å
262	K	86.7	Confident	71	Confident	143 Å²	143	94.8 Å²	94.8	62%	0.622	52%	0.518	S	S	*	.			trans	-103.5	96.5	177.7	-61.7	178.9	-176.4	176.5	0	110	D257 A258	D257-K262 CarbonylContact C-O 3.4Å; D257-K262 HydrophobicContact CB-CB 4.19Å; D257-K262 WeakPolarHBondContact O-CA 3.43Å; D257-K262 WeakPolarHBondContact O-CB 3.25Å; D257-K262 PolarHBondContact O-N 3.28Å; A258-K262 WeakPolarHBondContact CA-O 3.35Å; A258-K262 PolarHBondContact N-O 2.98Å
263	L	82.8	Confident	68	Low	83 Å²	83	100.2 Å²	100.2	44%	0.435	56%	0.557	S	S	.	*	P	Polyproline II helix	trans	-84.5	150.6	174.8	-69.3	167.9	0	0	0	110.8	A258 L288	A258-L263 HydrophobicContact CB-CD2 3.89Å; L263-L288 HydrophobicContact CD1-CD1 4.32Å; L263-L288 HydrophobicContact CD2-CD1 4.09Å
264	P	80.5	Confident	65	Low	52 Å²	52	101.5 Å²	101.5	34%	0.338	57%	0.57	S	S	.	*	P	Polyproline II helix	trans	-61.9	141.7	171.2	-10.2	22.9	0	0	0	110.6	I254 S266 L292	I254-P264 HydrophobicContact CG2-CG 3.82Å; P264-S266 PolarHBondContact O-N 2.6Å; P264-L292 HydrophobicContact CG-CD1 3.64Å
265	D	65.7	Low	62.2	Low	155 Å²	155	109 Å²	109	83%	0.829	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-62.9	128.6	171.5	-68.5	-38.5	0	0	0	109.8	S267	D265-S267 PolarHBondContact O-N 2.87Å
266	S	52.9	Low	59.1	Low	71 Å²	71	112.7 Å²	112.7	50%	0.497	64%	0.639	S	S	.	*			trans	-69.3	96.5	172.1	56.6	0	0	0	0	109.3	P264 D286	P264-S266 PolarHBondContact O-N 2.6Å; S266-D286 VanDerWaalsContact CB-OD1 3.27Å; S266-D286 WeakPolarHBondContact CB-OD1 3.44Å; S266-D286 PolarHBondContact OG-OD1 3.03Å
267	S	43.8	Very low	56.4	Low	94 Å²	94	117.7 Å²	117.7	66%	0.657	66%	0.663	S	S	*	*			trans	-160.4	131.9	161.7	61.6	0	0	0	0	115.4	D265	D265-S267 PolarHBondContact O-N 2.87Å
268	K	38.1	Very low	53.5	Low	188 Å²	188	120.9 Å²	120.9	82%	0.817	69%	0.685	S	S	*	*			trans	74.2	80.7	155.2	-61.3	176.6	-174.8	178	0	119.1
269	S	35	Very low	50.8	Low	125 Å²	125	128 Å²	128	87%	0.874	72%	0.721	S	S	*	*			trans	-110.4	63	146.3	56.8	0	0	0	0	110.5	E271	S269-E271 PolarHBondContact O-N 2.79Å
270	T	35.8	Very low	48.4	Very low	131 Å²	131	129.5 Å²	129.5	80%	0.804	75%	0.752	S	S	*	*			trans	-83	87.7	165	-10.1	0	0	0	0	108.2
271	E	32.8	Very low	46	Very low	184 Å²	184	133.4 Å²	133.4	86%	0.86	76%	0.763	S	S	*	*			trans	-148.1	87.2	158.1	-111.4	176.5	-159.8	0	0	111.7	S269	S269-E271 PolarHBondContact O-N 2.79Å
272	K	36.7	Very low	43.7	Very low	210 Å²	210	136.8 Å²	136.8	91%	0.913	77%	0.77	S	S	*	*			trans	45	96.9	147.4	-65.8	176.3	178.4	171.5	0	118.8
273	S	30.6	Very low	41.4	Very low	120 Å²	120	132.8 Å²	132.8	84%	0.839	77%	0.77	S	S	*	*			trans	-128.8	130.9	139.9	53.8	0	0	0	0	110.1
274	N	28.9	Very low	39.5	Very low	170 Å²	170	135.7 Å²	135.7	91%	0.909	79%	0.785	S	S	*	*			trans	-62.9	148.5	-171.8	-95.2	-26.3	0	0	0	113.6
275	K	32.7	Very low	37.7	Very low	212 Å²	212	141.8 Å²	141.8	92%	0.922	81%	0.809	S	S	*	*			trans	-36.1	134.3	173	-69.9	176.8	169.6	-175.1	0	116.2
276	G	27.3	Very low	37.1	Very low	77 Å²	77	139.9 Å²	139.9	79%	0.794	80%	0.8	S	S	*	*			trans	-157.4	110.9	150	0	0	0	0	0	109
277	E	36.4	Very low	37.7	Very low	193 Å²	193	143.1 Å²	143.1	90%	0.902	81%	0.81	S	S	*	*			trans	-65	133.4	-179.9	-65.9	169.9	150.8	0	0	111.8
278	V	29.7	Very low	39.3	Very low	132 Å²	132	141.5 Å²	141.5	80%	0.8	79%	0.794	S	S	*	*			trans	-155.9	119.6	131.9	-168.1	0	0	0	0	110.8
279	N	32	Very low	41.4	Very low	158 Å²	158	135 Å²	135	85%	0.845	77%	0.771	S	S	*	*			trans	21.1	114.9	154.5	-58.5	-29.9	0	0	0	122
280	G	37.5	Very low	43.7	Very low	84 Å²	84	130.5 Å²	130.5	87%	0.866	75%	0.745	S	S	*	*			trans	78.6	73.8	131.9	0	0	0	0	0	116.5
281	D	34.9	Very low	46.2	Very low	156 Å²	156	125.3 Å²	125.3	83%	0.834	71%	0.71	S	S	*	*			trans	-144.6	153.1	163.7	-146.7	-7	0	0	0	111.9
282	V	36.9	Very low	49	Very low	134 Å²	134	116.5 Å²	116.5	81%	0.812	67%	0.669	S	S	*	*	S	Bend	trans	-57.5	139.2	-178.8	-176.1	0	0	0	0	109.6	D284	V282-D284 PolarHBondContact O-N 3.12Å
283	G	38.2	Very low	51.5	Low	60 Å²	60	108.4 Å²	108.4	62%	0.619	64%	0.636	S	S	*	*			trans	-48.5	126.1	-166.3	0	0	0	0	0	116	E285	G283-E285 PolarHBondContact O-N 3.1Å
284	D	43.8	Very low	54.3	Low	143 Å²	143	106.3 Å²	106.3	77%	0.765	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.2	9.4	176.9	-119.9	-12.9	0	0	0	114.5	V282 L287	V282-D284 PolarHBondContact O-N 3.12Å; D284-L287 WeakPolarHBondContact OD1-CD1 3.35Å
285	E	43	Very low	57.3	Low	180 Å²	180	103 Å²	103	84%	0.841	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.5	-5.2	-169.4	-71.8	-167.5	157.3	0	0	115.2	G283	G283-E285 PolarHBondContact O-N 3.1Å
286	D	52.3	Low	60.1	Low	116 Å²	116	95.3 Å²	95.3	62%	0.62	57%	0.569	S	S	*	*	S	Bend	trans	-131.3	15.1	-175	-79.9	-41.9	0	0	0	115.7	S266 L288	S266-D286 VanDerWaalsContact CB-OD1 3.27Å; S266-D286 WeakPolarHBondContact CB-OD1 3.44Å; S266-D286 PolarHBondContact OG-OD1 3.03Å; D286-L288 PolarHBondContact O-N 3.23Å
287	L	65	Low	63.3	Low	138 Å²	138	91.7 Å²	91.7	72%	0.723	53%	0.531	S	S	*	.			trans	-75.8	114.8	-177.8	-70.1	169	0	0	0	111.8	D284	D284-L287 WeakPolarHBondContact OD1-CD1 3.35Å
288	L	76.8	Confident	65.9	Low	61 Å²	61	85.7 Å²	85.7	32%	0.319	50%	0.503	S	S	.	.			trans	-57.9	149.9	167.9	-72.3	171.3	0	0	0	110.3	L263 D286 L292	L263-L288 HydrophobicContact CD1-CD1 4.32Å; L263-L288 HydrophobicContact CD2-CD1 4.09Å; D286-L288 PolarHBondContact O-N 3.23Å; L288-L292 HydrophobicContact CB-CB 4.25Å; L288-L292 HydrophobicContact CD2-CD1 4.4Å
289	P	83.6	Confident	68.7	Low	50 Å²	50	79.4 Å²	79.4	33%	0.325	47%	0.465	S	S	.	.			trans	-51.9	143.7	172	-24.5	31.6	0	0	0	111.9	Y291 L292 N293	P289-Y291 HydrophobicContact CB-CD1 3.65Å; P289-Y291 HydrophobicContact CB-CE1 3.2Å; P289-Y291 HydrophobicContact CB-CE2 4.16Å; P289-Y291 HydrophobicContact CB-CG 4.35Å; P289-Y291 VanDerWaalsContact CB-CZ 3.48Å; P289-Y291 HydrophobicContact CG-CE1 4.06Å; P289-Y291 PolarHBondContact O-N 2.71Å; P289-L292 WeakPolarHBondContact O-CA 3.39Å; P289-L292 WeakPolarHBondContact O-CB 3.14Å; P289-L292 PolarHBondContact O-N 2.91Å; P289-N293 PolarHBondContact O-N 3.3Å
290	G	83.8	Confident	71.6	Confident	32 Å²	32	74.5 Å²	74.5	33%	0.33	44%	0.438	S	S	.	.	G	3₁₀ helix	trans	-56.9	-28.3	-174.5	0	0	0	0	0	114.7	D220 L292 N293	D220-G290 CarbonylContact O-C 3.59Å; D220-G290 WeakPolarHBondContact O-CA 3.34Å; G290-L292 PolarHBondContact O-N 3.49Å; G290-N293 WeakPolarHBondContact O-CB 3.17Å; G290-N293 PolarHBondContact O-N 2.87Å
291	Y	87.8	Confident	74.2	Confident	21 Å²	21	73.7 Å²	73.7	8%	0.082	41%	0.411	C	S	.	.	G	3₁₀ helix	trans	-70.3	-12.3	174.2	60.2	-91.9	0	0	0	114.9	D220 I222 F224 K251 I254 I255 P289	D220-Y291 HydrophobicContact CB-CD1 4.23Å; D220-Y291 PolarHBondContact O-N 3.13Å; D220-Y291 VanDerWaalsContact O-N 3.14Å; D220-Y291 WeakPolarHBondContact OD1-CD1 3.19Å; D220-Y291 WeakPolarHBondContact OD1-CE1 3.48Å; I222-Y291 VanDerWaalsContact O-CA 3.23Å; I222-Y291 WeakPolarHBondContact O-CA 3.23Å; F224-Y291 PolarHBondContact N-O 3.08Å; K251-Y291 HydrophobicContact CB-CE2 4.36Å; K251-Y291 HydrophobicContact CD-CD1 4.29Å; K251-Y291 HydrophobicContact CD-CE1 4Å; K251-Y291 HydrophobicContact CG-CE1 4.28Å; I254-Y291 HydrophobicContact CG2-CE2 4.25Å; I255-Y291 HydrophobicContact CD1-CD2 3.97Å; I255-Y291 HydrophobicContact CG1-CD2 3.75Å; I255-Y291 HydrophobicContact CG1-CE2 4.35Å; P289-Y291 HydrophobicContact CB-CD1 3.65Å; P289-Y291 HydrophobicContact CB-CE1 3.2Å; P289-Y291 HydrophobicContact CB-CE2 4.16Å; P289-Y291 HydrophobicContact CB-CG 4.35Å; P289-Y291 VanDerWaalsContact CB-CZ 3.48Å; P289-Y291 HydrophobicContact CG-CE1 4.06Å; P289-Y291 PolarHBondContact O-N 2.71Å
292	L	91	Very high	76.9	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-105.8	8.4	170.6	-59	-177.3	0	0	0	112.3	R225 I254 I255 A258 P264 L288 P289 G290 D294	R225-L292 VanDerWaalsContact CD-O 3.3Å; R225-L292 WeakPolarHBondContact CD-O 3.46Å; R225-L292 PolarHBondContact NH1-O 2.98Å; I254-L292 HydrophobicContact CG2-CD1 3.84Å; I254-L292 HydrophobicContact CG2-CD2 4.33Å; I255-L292 HydrophobicContact CG1-CD2 3.93Å; A258-L292 HydrophobicContact CB-CD2 3.81Å; P264-L292 HydrophobicContact CG-CD1 3.64Å; L288-L292 HydrophobicContact CB-CB 4.25Å; L288-L292 HydrophobicContact CD2-CD1 4.4Å; P289-L292 WeakPolarHBondContact O-CA 3.39Å; P289-L292 WeakPolarHBondContact O-CB 3.14Å; P289-L292 PolarHBondContact O-N 2.91Å; G290-L292 PolarHBondContact O-N 3.49Å; L292-D294 PolarHBondContact O-N 3.18Å
293	N	89.4	Confident	79.6	Confident	40 Å²	40	65.3 Å²	65.3	21%	0.214	36%	0.359	C	S	.	.			trans	-64.8	132.4	172.5	-172.6	-8.7	0	0	0	109.5	R223 P289 G290 L295	R223-N293 WeakPolarHBondContact CB-O 3.35Å; R223-N293 HydrophobicContact CG-CB 4.15Å; P289-N293 PolarHBondContact O-N 3.3Å; G290-N293 WeakPolarHBondContact O-CB 3.17Å; G290-N293 PolarHBondContact O-N 2.87Å; N293-L295 VanDerWaalsContact OD1-CB 3.24Å; N293-L295 WeakPolarHBondContact OD1-CB 3.48Å; N293-L295 WeakPolarHBondContact OD1-CG 3.47Å; N293-L295 PolarHBondContact OD1-N 3.02Å
294	D	90	Very high	82.3	Confident	76 Å²	76	66.5 Å²	66.5	41%	0.406	35%	0.351	S	S	.	.			trans	-118.6	8.3	176.1	60.2	-39.9	0	0	0	113.8	R225 L226 L292 P296	R225-D294 HydrophobicContact CB-CB 4.35Å; R225-D294 IonicContact CZ-OD1 3.74Å; R225-D294 IonicContact CZ-OD2 2.78Å; R225-D294 VanDerWaalsContact NH1-CB 3.32Å; R225-D294 IonicContact NH1-OD1 3.68Å; R225-D294 PolarHBondContact NH1-OD1 2.87Å; R225-D294 IonicContact NH1-OD2 3.34Å; R225-D294 PolarHBondContact NH1-OD2 2.91Å; R225-D294 IonicContact NH2-OD1 3.49Å; R225-D294 IonicContact NH2-OD2 3.73Å; R225-D294 PolarHBondContact NH2-OD2 2.8Å; L226-D294 WeakPolarHBondContact CD2-O 3.22Å; L292-D294 PolarHBondContact O-N 3.18Å; D294-P296 WeakPolarHBondContact O-CD 3.37Å
295	L	90.9	Very high	84.8	Confident	100 Å²	100	59.7 Å²	59.7	52%	0.524	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-66.9	119.6	169	-63.4	176.2	0	0	0	108.2	R223 L226 N293	R223-L295 PolarHBondContact NH1-O 2.91Å; L226-L295 WeakPolarHBondContact CD1-O 3.46Å; N293-L295 VanDerWaalsContact OD1-CB 3.24Å; N293-L295 WeakPolarHBondContact OD1-CB 3.48Å; N293-L295 WeakPolarHBondContact OD1-CG 3.47Å; N293-L295 PolarHBondContact OD1-N 3.02Å
296	P	92.4	Very high	87.5	Confident	51 Å²	51	51.1 Å²	51.1	33%	0.331	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-62.7	145.7	178.4	27.6	-35.9	0	0	0	110.4	D294 M300 F301	D294-P296 WeakPolarHBondContact O-CD 3.37Å; P296-M300 HydrophobicContact CB-CB 4.25Å; P296-M300 HydrophobicContact CB-SD 4.13Å; P296-F301 HydrophobicContact CB-CE2 3.95Å; P296-F301 HydrophobicContact CB-CZ 4Å; P296-F301 HydrophobicContact CG-CE1 4.24Å; P296-F301 HydrophobicContact CG-CE2 3.73Å; P296-F301 HydrophobicContact CG-CZ 3.35Å
297	R	93.4	Very high	89.7	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-73	154.8	171.9	-55.8	-139	-177.9	73.8	3.3	110.2	D186 L188 V190 E193 V196 G299 M300 F301	D186-R297 WeakPolarHBondContact O-CA 3.41Å; L188-R297 WeakPolarHBondContact O-CB 3.36Å; V190-R297 HydrophobicContact CG2-CB 4.23Å; V190-R297 HydrophobicContact CG2-CG 4.24Å; E193-R297 VanDerWaalsContact CD-NH2 3.31Å; E193-R297 IonicContact OE1-CZ 3.8Å; E193-R297 VanDerWaalsContact OE1-CZ 3.32Å; E193-R297 IonicContact OE1-NH1 3.18Å; E193-R297 PolarHBondContact OE1-NH1 3.48Å; E193-R297 IonicContact OE1-NH2 3.35Å; E193-R297 PolarHBondContact OE1-NH2 3.22Å; E193-R297 IonicContact OE2-CZ 3.66Å; E193-R297 IonicContact OE2-NH1 2.79Å; E193-R297 PolarHBondContact OE2-NH1 3.27Å; E193-R297 IonicContact OE2-NH2 3.52Å; E193-R297 PolarHBondContact OE2-NH2 2.96Å; V196-R297 VanDerWaalsContact CG2-NH1 3.33Å; R297-G299 PolarHBondContact O-N 3.32Å; R297-G299 VanDerWaalsContact O-N 3.14Å; R297-M300 HydrophobicContact CB-CG 4.09Å; R297-M300 HydrophobicContact CB-SD 4.3Å; R297-M300 HydrophobicContact CG-SD 4.46Å; R297-M300 PolarHBondContact N-SD 3.35Å; R297-M300 VanDerWaalsContact O-CB 3.32Å; R297-M300 WeakPolarHBondContact O-CB 3.02Å; R297-M300 PolarHBondContact O-N 3.35Å; R297-F301 WeakPolarHBondContact O-CD2 3.36Å
298	H	91.1	Very high	91.3	Very high	67 Å²	67	39 Å²	39	31%	0.31	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-56.2	-33.9	178.3	-68.7	-176.2	0	0	0	111.9	D186 S187 M300 F301 N599 F601	D186-H298 PolarHBondContact O-CD2 3.38Å; D186-H298 PolarHBondContact O-N 2.85Å; S187-H298 WeakPolarHBondContact CA-ND1 3.5Å; H298-M300 PolarHBondContact O-N 3.41Å; H298-F301 PolarHBondContact O-N 2.85Å; H298-N599 PolarHBondContact O-ND2 3.3Å; H298-N599 PolarHBondContact O-OD1 3.42Å; H298-F601 HydrophobicContact CB-CG 4.5Å; H298-F601 AromaticContact CD2-CE1 3.95Å
299	G	89.7	Confident	92.3	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-67	-11.9	174.9	0	0	0	0	0	115.9	L188 N189 V190 E191 R297 F301 V302	L188-G299 PolarHBondContact O-N 2.96Å; N189-G299 WeakPolarHBondContact OD1-CA 3.39Å; V190-G299 CarbonylContact O-C 2.99Å; V190-G299 WeakPolarHBondContact O-CA 3.36Å; E191-G299 WeakPolarHBondContact CA-O 3.39Å; R297-G299 PolarHBondContact O-N 3.32Å; R297-G299 VanDerWaalsContact O-N 3.14Å; G299-F301 VanDerWaalsContact C-N 3.32Å; G299-V302 WeakPolarHBondContact O-CG2 3.44Å
300	M	92.8	Very high	93	Very high	56 Å²	56	34.3 Å²	34.3	28%	0.276	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-85.6	-5.8	-178	-57.1	-175.7	81.4	0	0	113.2	V190 L226 P296 R297 H298 V302	V190-M300 VanDerWaalsContact O-CG 3.28Å; V190-M300 WeakPolarHBondContact O-CG 3.31Å; V190-M300 PolarHBondContact O-N 3.44Å; L226-M300 HydrophobicContact CB-CE 4.19Å; L226-M300 HydrophobicContact CD1-CE 4.43Å; L226-M300 HydrophobicContact CD1-SD 3.77Å; P296-M300 HydrophobicContact CB-CB 4.25Å; P296-M300 HydrophobicContact CB-SD 4.13Å; R297-M300 HydrophobicContact CB-CG 4.09Å; R297-M300 HydrophobicContact CB-SD 4.3Å; R297-M300 HydrophobicContact CG-SD 4.46Å; R297-M300 PolarHBondContact N-SD 3.35Å; R297-M300 VanDerWaalsContact O-CB 3.32Å; R297-M300 WeakPolarHBondContact O-CB 3.02Å; R297-M300 PolarHBondContact O-N 3.35Å; H298-M300 PolarHBondContact O-N 3.41Å; M300-V302 PolarHBondContact O-N 2.92Å
301	F	91.7	Very high	93.6	Very high	67 Å²	67	35 Å²	35	29%	0.294	18%	0.179	S	C	.	.			trans	-93.5	32.3	179.5	-63.5	-87	0	0	0	112.8	P296 R297 H298 G299 L600 F601	P296-F301 HydrophobicContact CB-CE2 3.95Å; P296-F301 HydrophobicContact CB-CZ 4Å; P296-F301 HydrophobicContact CG-CE1 4.24Å; P296-F301 HydrophobicContact CG-CE2 3.73Å; P296-F301 HydrophobicContact CG-CZ 3.35Å; R297-F301 WeakPolarHBondContact O-CD2 3.36Å; H298-F301 PolarHBondContact O-N 2.85Å; G299-F301 VanDerWaalsContact C-N 3.32Å; F301-L600 PolarHBondContact O-N 3.19Å; F301-F601 HydrophobicContact CB-CD2 3.46Å; F301-F601 VanDerWaalsContact CB-CD2 3.46Å; F301-F601 HydrophobicContact CB-CE2 3.77Å; F301-F601 HydrophobicContact CD1-CD2 4.12Å; F301-F601 AromaticContact CD1-CE2 3.49Å; F301-F601 HydrophobicContact CD1-CE2 3.49Å; F301-F601 VanDerWaalsContact CD1-CE2 3.49Å; F301-F601 HydrophobicContact CD1-CZ 4.48Å; F301-F601 AromaticContact CD2-CD2 3.36Å; F301-F601 HydrophobicContact CD2-CD2 3.36Å; F301-F601 AromaticContact CD2-CE2 3.05Å; F301-F601 HydrophobicContact CD2-CE2 3.05Å; F301-F601 HydrophobicContact CD2-CG 4.35Å; F301-F601 AromaticContact CD2-CZ 3.83Å; F301-F601 HydrophobicContact CD2-CZ 3.83Å; F301-F601 AromaticContact CE1-CE2 3.65Å; F301-F601 HydrophobicContact CE1-CE2 3.65Å; F301-F601 HydrophobicContact CE1-CZ 4.24Å; F301-F601 AromaticContact CE2-CD2 3.99Å; F301-F601 HydrophobicContact CE2-CD2 3.99Å; F301-F601 AromaticContact CE2-CE2 3.24Å; F301-F601 HydrophobicContact CE2-CE2 3.24Å; F301-F601 AromaticContact CE2-CZ 3.54Å; F301-F601 HydrophobicContact CE2-CZ 3.54Å; F301-F601 AromaticContact CG-CD2 3.39Å; F301-F601 HydrophobicContact CG-CD2 3.39Å; F301-F601 AromaticContact CG-CE2 3.15Å; F301-F601 HydrophobicContact CG-CE2 3.15Å; F301-F601 HydrophobicContact CG-CZ 4.26Å; F301-F601 AromaticContact CZ-CE2 3.5Å; F301-F601 HydrophobicContact CZ-CE2 3.5Å; F301-F601 VanDerWaalsContact CZ-CE2 3.5Å; F301-F601 AromaticContact CZ-CZ 3.73Å; F301-F601 HydrophobicContact CZ-CZ 3.73Å
302	V	91.5	Very high	94.1	Very high	41 Å²	41	37.6 Å²	37.6	25%	0.248	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	128	174.7	174.4	0	0	0	0	109.5	E191 G299 M300 R597 L598 N599	E191-V302 HydrophobicContact CG-CB 4.39Å; E191-V302 HydrophobicContact CG-CG2 3.98Å; G299-V302 WeakPolarHBondContact O-CG2 3.44Å; M300-V302 PolarHBondContact O-N 2.92Å; V302-R597 HydrophobicContact CG1-CB 3.77Å; V302-R597 HydrophobicContact CG1-CG 4.47Å; V302-L598 CarbonylContact C-O 3.54Å; V302-L598 WeakPolarHBondContact CA-O 3.48Å; V302-N599 HydrophobicContact CG2-CB 4.01Å
303	K	93	Very high	94.4	Very high	72 Å²	72	38.1 Å²	38.1	31%	0.313	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	148.1	173.9	-82.6	-158.8	177.1	178.1	0	111.1	L305 D318 R597 L598 L600	K303-L305 HydrophobicContact CB-CD2 4.18Å; K303-L305 HydrophobicContact CB-CG 4.14Å; K303-L305 PolarHBondContact O-N 2.92Å; K303-D318 IonicContact NZ-OD2 3.33Å; K303-D318 PolarHBondContact NZ-OD2 2.62Å; K303-R597 CarbonylContact O-C 3.53Å; K303-R597 WeakPolarHBondContact O-CA 3.4Å; K303-L598 PolarHBondContact N-O 3.38Å; K303-L598 PolarHBondContact O-N 3.24Å; K303-L600 HydrophobicContact CB-CG 4.42Å; K303-L600 HydrophobicContact CD-CD1 3.78Å; K303-L600 HydrophobicContact CD-CG 4.4Å; K303-L600 HydrophobicContact CG-CD1 3.92Å; K303-L600 HydrophobicContact CG-CG 4.26Å
304	D	95.1	Very high	94.8	Very high	86 Å²	86	36.2 Å²	36.2	46%	0.46	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	119.1	162.3	-68.4	-50.5	0	0	0	108.6	L540 T596 R597	D304-L540 HydrophobicContact CB-CD1 3.73Å; D304-L540 HydrophobicContact CB-CG 4.1Å; D304-T596 CarbonylContact C-O 3.1Å; D304-T596 WeakPolarHBondContact CA-O 3.27Å; D304-R597 WeakPolarHBondContact OD1-CG 3.36Å
305	L	97.5	Very high	95.2	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	156.9	179.9	-60.9	175.8	0	0	0	111.4	K303 A316 D318 L540 T596 L598 L600 L603	K303-L305 HydrophobicContact CB-CD2 4.18Å; K303-L305 HydrophobicContact CB-CG 4.14Å; K303-L305 PolarHBondContact O-N 2.92Å; L305-A316 HydrophobicContact CB-CB 4.15Å; L305-A316 HydrophobicContact CD1-CB 3.67Å; L305-D318 HydrophobicContact CD2-CB 3.6Å; L305-L540 WeakPolarHBondContact O-CD1 3.32Å; L305-T596 PolarHBondContact N-O 3.18Å; L305-T596 PolarHBondContact O-N 2.87Å; L305-L598 HydrophobicContact CD1-CB 4.21Å; L305-L598 HydrophobicContact CD1-CD1 4.45Å; L305-L600 HydrophobicContact CD1-CD2 4.05Å; L305-L603 HydrophobicContact CD1-CD1 3.81Å
306	I	98.5	Very high	95.6	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	113.1	167.6	-54	-178.2	0	0	0	107.7	L308 A316 Y317 P319 V538 L540 Y545 I547 C593 L594	I306-L308 HydrophobicContact CG2-CD2 3.93Å; I306-L308 HydrophobicContact CG2-CG 4.46Å; I306-A316 CarbonylContact O-C 3.59Å; I306-A316 WeakPolarHBondContact O-CA 3.49Å; I306-Y317 HydrophobicContact CB-CD1 4.42Å; I306-Y317 HydrophobicContact CD1-CD1 4.25Å; I306-Y317 PolarHBondContact N-O 3.37Å; I306-Y317 PolarHBondContact O-N 3.19Å; I306-P319 HydrophobicContact CD1-CG 4.18Å; I306-V538 HydrophobicContact CD1-CG2 3.89Å; I306-V538 HydrophobicContact CG1-CG2 4.13Å; I306-V538 HydrophobicContact CG2-CG2 4.35Å; I306-L540 HydrophobicContact CG1-CD2 3.89Å; I306-Y545 HydrophobicContact CD1-CD2 4.5Å; I306-Y545 HydrophobicContact CD1-CG 4.23Å; I306-I547 HydrophobicContact CD1-CD1 4.37Å; I306-I547 HydrophobicContact CG2-CD1 4.29Å; I306-C593 HydrophobicContact CG2-CB 4.49Å; I306-L594 CarbonylContact C-O 3.56Å; I306-L594 VanDerWaalsContact CA-O 3.31Å; I306-L594 WeakPolarHBondContact CA-O 3.45Å
307	L	98.6	Very high	95.8	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	119.4	174	-172.6	67.8	0	0	0	109.8	V309 A314 A316 A327 V347 L371 C593 L594 T596 L598	L307-V309 HydrophobicContact CD2-CG2 3.92Å; L307-V309 HydrophobicContact CG-CG2 3.79Å; L307-A314 HydrophobicContact CD1-CB 4.07Å; L307-A316 HydrophobicContact CD1-CB 4.27Å; L307-A327 HydrophobicContact CD1-CB 3.92Å; L307-V347 HydrophobicContact CD2-CG1 4.15Å; L307-V347 HydrophobicContact CD2-CG2 4.04Å; L307-L371 HydrophobicContact CD2-CD2 4.18Å; L307-C593 WeakPolarHBondContact O-CA 3.39Å; L307-L594 HydrophobicContact CB-CB 4.45Å; L307-L594 PolarHBondContact N-O 3.04Å; L307-L594 PolarHBondContact O-N 3.37Å; L307-T596 HydrophobicContact CB-CG2 3.61Å; L307-T596 HydrophobicContact CD2-CG2 4.2Å; L307-T596 HydrophobicContact CG-CG2 4.44Å; L307-L598 HydrophobicContact CD1-CD1 4.18Å
308	L	98.6	Very high	96	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	112.3	175.5	-54.5	173.4	0	0	0	107.9	I306 A314 V315 I547 I585 A588 A591 S592 C593	I306-L308 HydrophobicContact CG2-CD2 3.93Å; I306-L308 HydrophobicContact CG2-CG 4.46Å; L308-A314 CarbonylContact O-C 3.41Å; L308-A314 WeakPolarHBondContact O-CA 3.32Å; L308-V315 PolarHBondContact N-O 3Å; L308-V315 PolarHBondContact O-N 3.48Å; L308-I547 HydrophobicContact CD2-CG2 4.38Å; L308-I585 HydrophobicContact CD1-CD1 3.59Å; L308-I585 HydrophobicContact CD1-CG1 4.02Å; L308-A588 HydrophobicContact CD1-CB 4.3Å; L308-A588 HydrophobicContact CD2-CB 4.44Å; L308-A591 HydrophobicContact CB-CB 4.11Å; L308-S592 WeakPolarHBondContact CA-O 3.35Å; L308-C593 HydrophobicContact CD2-CB 4.01Å; L308-C593 VanDerWaalsContact CD2-SG 3.52Å
309	V	98.5	Very high	96.2	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	120.1	179.8	-167	0	0	0	0	110.5	L307 A314 A330 I333 H337 I349 W378 A591 S592	L307-V309 HydrophobicContact CD2-CG2 3.92Å; L307-V309 HydrophobicContact CG-CG2 3.79Å; V309-A314 HydrophobicContact CG1-CB 4.17Å; V309-A314 HydrophobicContact CG2-CB 3.92Å; V309-A330 HydrophobicContact CG1-CB 4.3Å; V309-I333 HydrophobicContact CG1-CG2 4.43Å; V309-H337 PolarHBondContact O-CE1 3.09Å; V309-H337 PolarHBondContact O-NE2 2.79Å; V309-I349 HydrophobicContact CB-CD1 4.03Å; V309-I349 HydrophobicContact CG1-CD1 3.51Å; V309-I349 HydrophobicContact CG2-CD1 4.37Å; V309-W378 HydrophobicContact CG1-CH2 4.17Å; V309-W378 HydrophobicContact CG1-CZ2 3.65Å; V309-W378 HydrophobicContact CG2-CH2 4.33Å; V309-W378 HydrophobicContact CG2-CZ2 4.23Å; V309-A591 CarbonylContact O-C 3.59Å; V309-A591 WeakPolarHBondContact O-CA 3.25Å; V309-S592 PolarHBondContact N-O 3.43Å; V309-S592 PolarHBondContact O-N 3.22Å
310	N	97.7	Very high	96.4	Very high	12 Å²	12	29.7 Å²	29.7	6%	0.064	16%	0.157	C	C	.	.			trans	-125.5	-167.4	171.9	68.6	16.3	0	0	0	111.1	T312 A313 A330 T589 A591	N310-T312 PolarHBondContact O-N 2.61Å; N310-T312 PolarHBondContact OD1-N 2.82Å; N310-T312 PolarHBondContact OD1-OG1 2.91Å; N310-A313 PolarHBondContact N-O 3.27Å; N310-A313 VanDerWaalsContact N-O 3.14Å; N310-A313 PolarHBondContact OD1-N 2.91Å; N310-A313 PolarHBondContact OD1-O 2.89Å; N310-A330 VanDerWaalsContact O-CB 3.26Å; N310-A330 WeakPolarHBondContact O-CB 3.32Å; N310-T589 WeakPolarHBondContact CB-O 3.05Å; N310-T589 PolarHBondContact ND2-O 2.78Å; N310-T589 VanDerWaalsContact ND2-O 3.17Å; N310-A591 HydrophobicContact CB-CB 4.2Å
311	D	96.6	Very high	96.5	Very high	46 Å²	46	32.6 Å²	32.6	25%	0.246	17%	0.17	C	C	.	.	S	Bend	trans	-77.7	11.9	-179.7	65.4	-42	0	0	0	114.3	A330 E331 I333 R335	D311-A330 CarbonylContact C-O 3.53Å; D311-E331 WeakPolarHBondContact O-CA 3.35Å; D311-I333 WeakPolarHBondContact CB-O 3.39Å; D311-R335 HydrophobicContact CB-CG 3.73Å; D311-R335 VanDerWaalsContact OD2-CG 3.31Å; D311-R335 WeakPolarHBondContact OD2-CG 3.37Å; D311-R335 IonicContact OD2-CZ 2.81Å; D311-R335 IonicContact OD2-NE 2.78Å; D311-R335 PolarHBondContact OD2-NE 2.95Å; D311-R335 IonicContact OD2-NH2 2.66Å; D311-R335 PolarHBondContact OD2-NH2 3.17Å
312	T	97.4	Very high	96.7	Very high	75 Å²	75	33.7 Å²	33.7	46%	0.46	18%	0.179	S	C	.	.	S	Bend	trans	-123.1	-48.3	177.4	66	0	0	0	0	111.7	N310 A330	N310-T312 PolarHBondContact O-N 2.61Å; N310-T312 PolarHBondContact OD1-N 2.82Å; N310-T312 PolarHBondContact OD1-OG1 2.91Å; T312-A330 PolarHBondContact O-N 3.13Å
313	A	97.9	Very high	96.9	Very high	12 Å²	12	34.4 Å²	34.4	10%	0.099	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	159.4	-177.2	0	0	0	0	0	112.6	N310 V315 L326 A328	N310-A313 PolarHBondContact N-O 3.27Å; N310-A313 VanDerWaalsContact N-O 3.14Å; N310-A313 PolarHBondContact OD1-N 2.91Å; N310-A313 PolarHBondContact OD1-O 2.89Å; A313-V315 HydrophobicContact CB-CG2 3.98Å; A313-L326 HydrophobicContact CB-CD1 3.76Å; A313-A328 WeakPolarHBondContact CA-O 3.26Å
314	A	98.3	Very high	97.2	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	108.2	161	0	0	0	0	0	108.4	L307 L308 V309 A327 A328 W378	L307-A314 HydrophobicContact CD1-CB 4.07Å; L308-A314 CarbonylContact O-C 3.41Å; L308-A314 WeakPolarHBondContact O-CA 3.32Å; V309-A314 HydrophobicContact CG1-CB 4.17Å; V309-A314 HydrophobicContact CG2-CB 3.92Å; A314-A327 HydrophobicContact CB-CB 4.39Å; A314-A327 WeakPolarHBondContact O-CB 3.49Å; A314-A327 PolarHBondContact O-N 3.2Å; A314-A328 HydrophobicContact CB-CB 4.18Å; A314-A328 PolarHBondContact N-O 3.22Å; A314-A328 PolarHBondContact O-N 2.89Å; A314-W378 HydrophobicContact CB-CZ2 3.96Å
315	V	98.5	Very high	97.3	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.012	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	119.8	-177.1	178.7	0	0	0	0	109.7	L308 A313 C324 Y325 Y587 L606	L308-V315 PolarHBondContact N-O 3Å; L308-V315 PolarHBondContact O-N 3.48Å; A313-V315 HydrophobicContact CB-CG2 3.98Å; V315-C324 HydrophobicContact CG1-CB 3.89Å; V315-Y325 CarbonylContact C-O 3.6Å; V315-Y325 WeakPolarHBondContact CA-O 3.2Å; V315-Y587 HydrophobicContact CB-CD1 4.38Å; V315-Y587 HydrophobicContact CB-CG 4.17Å; V315-Y587 HydrophobicContact CG1-CD1 4.39Å; V315-Y587 HydrophobicContact CG1-CD2 4.01Å; V315-Y587 HydrophobicContact CG1-CE2 4.48Å; V315-Y587 HydrophobicContact CG1-CG 3.95Å; V315-Y587 HydrophobicContact CG2-CD1 3.69Å; V315-Y587 HydrophobicContact CG2-CE1 4.19Å; V315-Y587 HydrophobicContact CG2-CG 3.99Å; V315-L606 HydrophobicContact CG1-CD1 3.96Å; V315-L606 HydrophobicContact CG2-CD1 3.92Å
316	A	98.3	Very high	97.3	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	127.6	173.2	0	0	0	0	0	109.9	L305 I306 L307 C324 Y325 L598 L603	L305-A316 HydrophobicContact CB-CB 4.15Å; L305-A316 HydrophobicContact CD1-CB 3.67Å; I306-A316 CarbonylContact O-C 3.59Å; I306-A316 WeakPolarHBondContact O-CA 3.49Å; L307-A316 HydrophobicContact CD1-CB 4.27Å; A316-C324 CarbonylContact O-C 3.57Å; A316-C324 WeakPolarHBondContact O-CA 3.42Å; A316-Y325 PolarHBondContact N-O 3.01Å; A316-Y325 PolarHBondContact O-N 2.78Å; A316-L598 HydrophobicContact CB-CD1 3.64Å; A316-L603 HydrophobicContact CB-CD1 4.07Å
317	Y	98.3	Very high	97.3	Very high	3 Å²	3	32 Å²	32	1%	0.012	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	127.1	-178.5	172.4	-117	0	0	0	110.4	I306 P319 N322 E323 I568 L582 I585	I306-Y317 HydrophobicContact CB-CD1 4.42Å; I306-Y317 HydrophobicContact CD1-CD1 4.25Å; I306-Y317 PolarHBondContact N-O 3.37Å; I306-Y317 PolarHBondContact O-N 3.19Å; Y317-P319 HydrophobicContact CD1-CB 4.32Å; Y317-P319 HydrophobicContact CE1-CB 3.66Å; Y317-P319 WeakPolarHBondContact O-CD 3.2Å; Y317-N322 WeakPolarHBondContact CE2-OD1 3.38Å; Y317-N322 PolarHBondContact OH-OD1 3.08Å; Y317-E323 WeakPolarHBondContact CA-O 3.45Å; Y317-E323 WeakPolarHBondContact CD2-O 3.17Å; Y317-I568 HydrophobicContact CD1-CD1 3.64Å; Y317-I568 HydrophobicContact CE1-CD1 3.21Å; Y317-L582 HydrophobicContact CE2-CD2 4.28Å; Y317-I585 HydrophobicContact CD1-CD1 4.41Å; Y317-I585 HydrophobicContact CD2-CD1 3.9Å; Y317-I585 HydrophobicContact CE2-CD1 4.32Å; Y317-I585 HydrophobicContact CG-CD1 3.94Å
318	D	97.3	Very high	97.2	Very high	5 Å²	5	32.1 Å²	32.1	3%	0.027	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	105.9	170.2	-170	-29.9	0	0	0	108.8	K303 L305 L320 E321 N322 E323	K303-D318 IonicContact NZ-OD2 3.33Å; K303-D318 PolarHBondContact NZ-OD2 2.62Å; L305-D318 HydrophobicContact CD2-CB 3.6Å; D318-L320 PolarHBondContact O-N 3.42Å; D318-L320 WeakPolarHBondContact OD1-CB 3.35Å; D318-L320 PolarHBondContact OD1-N 3.31Å; D318-E321 HydrophobicContact CB-CB 4.32Å; D318-E321 PolarHBondContact OD1-N 2.84Å; D318-N322 WeakPolarHBondContact O-CA 3.39Å; D318-N322 PolarHBondContact O-N 3.17Å; D318-E323 PolarHBondContact N-O 3.41Å; D318-E323 PolarHBondContact O-N 2.9Å
319	P	95.6	Very high	97.2	Very high	16 Å²	16	37 Å²	37	10%	0.104	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-13.7	-179.7	28.9	-35.4	0	0	0	114.1	I306 Y317 L540 Y545 I581	I306-P319 HydrophobicContact CD1-CG 4.18Å; Y317-P319 HydrophobicContact CD1-CB 4.32Å; Y317-P319 HydrophobicContact CE1-CB 3.66Å; Y317-P319 WeakPolarHBondContact O-CD 3.2Å; P319-L540 HydrophobicContact CG-CD2 3.69Å; P319-Y545 HydrophobicContact CB-CD1 4.46Å; P319-Y545 HydrophobicContact CB-CE1 3.72Å; P319-Y545 HydrophobicContact CG-CE1 3.97Å; P319-Y545 HydrophobicContact CG-CE2 4.34Å; P319-I581 HydrophobicContact CB-CD1 3.84Å
320	L	92.7	Very high	97.1	Very high	130 Å²	130	37 Å²	37	68%	0.681	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-46.6	178.5	-63.2	175.7	0	0	0	110.8	D318 N322	D318-L320 PolarHBondContact O-N 3.42Å; D318-L320 WeakPolarHBondContact OD1-CB 3.35Å; D318-L320 PolarHBondContact OD1-N 3.31Å; L320-N322 VanDerWaalsContact C-N 3.34Å
321	E	94.7	Very high	97	Very high	117 Å²	117	43.9 Å²	43.9	55%	0.547	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-14.2	177.9	-57	-57.1	148.6	0	0	112.4	D318 E323	D318-E321 HydrophobicContact CB-CB 4.32Å; D318-E321 PolarHBondContact OD1-N 2.84Å; E321-E323 HydrophobicContact CB-CB 4.44Å; E321-E323 HydrophobicContact CB-CG 3.96Å
322	N	95.9	Very high	96.9	Very high	90 Å²	90	45.9 Å²	45.9	48%	0.481	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	46.9	-173	-168.6	45	0	0	0	112.5	Y317 D318 L320	Y317-N322 WeakPolarHBondContact CE2-OD1 3.38Å; Y317-N322 PolarHBondContact OH-OD1 3.08Å; D318-N322 WeakPolarHBondContact O-CA 3.39Å; D318-N322 PolarHBondContact O-N 3.17Å; L320-N322 VanDerWaalsContact C-N 3.34Å
323	E	96.9	Very high	96.9	Very high	56 Å²	56	42.4 Å²	42.4	26%	0.262	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	147.7	-177.5	-62.2	-166.5	149	0	0	111.9	Y317 D318 E321 Y325 K605	Y317-E323 WeakPolarHBondContact CA-O 3.45Å; Y317-E323 WeakPolarHBondContact CD2-O 3.17Å; D318-E323 PolarHBondContact N-O 3.41Å; D318-E323 PolarHBondContact O-N 2.9Å; E321-E323 HydrophobicContact CB-CB 4.44Å; E321-E323 HydrophobicContact CB-CG 3.96Å; E323-Y325 HydrophobicContact CB-CE2 3.77Å; E323-Y325 PolarHBondContact OE2-OH 2.69Å; E323-K605 IonicContact OE1-NZ 2.69Å; E323-K605 PolarHBondContact OE1-NZ 3.46Å; E323-K605 IonicContact OE2-NZ 2.85Å; E323-K605 PolarHBondContact OE2-NZ 3.13Å
324	C	98.2	Very high	96.8	Very high	24 Å²	24	42.9 Å²	42.9	16%	0.162	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	144.8	178.2	-68.6	0	0	0	0	111.3	V315 A316 Y587 L606	V315-C324 HydrophobicContact CG1-CB 3.89Å; A316-C324 CarbonylContact O-C 3.57Å; A316-C324 WeakPolarHBondContact O-CA 3.42Å; C324-Y587 HydrophobicContact CB-CD2 4.5Å; C324-Y587 HydrophobicContact CB-CE2 4.18Å; C324-L606 HydrophobicContact CB-CB 4.4Å; C324-L606 PolarHBondContact O-N 2.98Å; C324-L606 VanDerWaalsContact O-N 3.11Å
325	Y	97.9	Very high	96.5	Very high	26 Å²	26	51.6 Å²	51.6	10%	0.102	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	136.9	179.4	-58.9	-96.7	0	0	0	109.7	V315 A316 E323 A327 L600 L603 S604 K605	V315-Y325 CarbonylContact C-O 3.6Å; V315-Y325 WeakPolarHBondContact CA-O 3.2Å; A316-Y325 PolarHBondContact N-O 3.01Å; A316-Y325 PolarHBondContact O-N 2.78Å; E323-Y325 HydrophobicContact CB-CE2 3.77Å; E323-Y325 PolarHBondContact OE2-OH 2.69Å; Y325-A327 PolarHBondContact O-N 3.08Å; Y325-L600 HydrophobicContact CD2-CD2 4.47Å; Y325-L600 HydrophobicContact CE1-CD2 4.42Å; Y325-L600 HydrophobicContact CE2-CD2 4.25Å; Y325-L603 HydrophobicContact CD1-CB 4.28Å; Y325-L603 HydrophobicContact CG-CB 4.37Å; Y325-L603 HydrophobicContact CG-CD1 4.29Å; Y325-S604 CarbonylContact C-O 3.5Å; Y325-S604 VanDerWaalsContact CA-O 3.31Å; Y325-S604 WeakPolarHBondContact CA-O 3.48Å; Y325-K605 HydrophobicContact CD1-CB 4Å; Y325-K605 HydrophobicContact CD1-CG 4.32Å; Y325-K605 HydrophobicContact CE1-CB 4.01Å; Y325-K605 HydrophobicContact CE1-CD 4.23Å; Y325-K605 HydrophobicContact CE1-CG 4.05Å
326	L	97.8	Very high	96.1	Very high	43 Å²	43	57.9 Å²	57.9	23%	0.225	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	121	171	-178.2	65.4	0	0	0	109.3	A313 A328 L329 S604 L606	A313-L326 HydrophobicContact CB-CD1 3.76Å; L326-A328 WeakPolarHBondContact CD1-O 3.3Å; L326-L329 HydrophobicContact CD1-CD2 4.48Å; L326-L329 HydrophobicContact CD2-CD2 4.38Å; L326-S604 PolarHBondContact N-O 3.13Å; L326-S604 PolarHBondContact O-N 2.88Å; L326-S604 VanDerWaalsContact O-N 3.13Å; L326-L606 HydrophobicContact CB-CD1 4.05Å; L326-L606 HydrophobicContact CB-CD2 4.02Å; L326-L606 HydrophobicContact CB-CG 3.96Å
327	A	96.9	Very high	96.1	Very high	14 Å²	14	59 Å²	59	12%	0.116	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	-40.1	173.1	0	0	0	0	0	112.1	L307 A314 Y325 G376 L598 L603	L307-A327 HydrophobicContact CD1-CB 3.92Å; A314-A327 HydrophobicContact CB-CB 4.39Å; A314-A327 WeakPolarHBondContact O-CB 3.49Å; A314-A327 PolarHBondContact O-N 3.2Å; Y325-A327 PolarHBondContact O-N 3.08Å; A327-G376 VanDerWaalsContact O-CA 3.32Å; A327-G376 WeakPolarHBondContact O-CA 3.48Å; A327-L598 HydrophobicContact CB-CD1 4.31Å; A327-L603 HydrophobicContact CB-CD2 3.9Å
328	A	97.4	Very high	96	Very high	3 Å²	3	60.5 Å²	60.5	3%	0.025	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	152.9	175.4	0	0	0	0	0	110.9	A313 A314 L326 L371 G376	A313-A328 WeakPolarHBondContact CA-O 3.26Å; A314-A328 HydrophobicContact CB-CB 4.18Å; A314-A328 PolarHBondContact N-O 3.22Å; A314-A328 PolarHBondContact O-N 2.89Å; L326-A328 WeakPolarHBondContact CD1-O 3.3Å; A328-L371 HydrophobicContact CB-CD1 3.63Å; A328-G376 WeakPolarHBondContact CA-O 3.49Å; A328-G376 WeakPolarHBondContact CB-O 3.27Å
329	L	97.7	Very high	96.1	Very high	103 Å²	103	61.2 Å²	61.2	54%	0.539	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	149.5	161.3	-64.4	177.1	0	0	0	109.5	L326 W378	L326-L329 HydrophobicContact CD1-CD2 4.48Å; L326-L329 HydrophobicContact CD2-CD2 4.38Å; L329-W378 PolarHBondContact O-NE1 2.88Å; L329-W378 VanDerWaalsContact O-NE1 3.13Å
330	A	97.4	Very high	96.2	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	31%	0.306	C	S	.	.			trans	-139.2	28.5	-171.7	0	0	0	0	0	113.1	V309 N310 D311 T312 Q332 I333	V309-A330 HydrophobicContact CG1-CB 4.3Å; N310-A330 VanDerWaalsContact O-CB 3.26Å; N310-A330 WeakPolarHBondContact O-CB 3.32Å; D311-A330 CarbonylContact C-O 3.53Å; T312-A330 PolarHBondContact O-N 3.13Å; A330-Q332 PolarHBondContact O-N 3.4Å; A330-I333 HydrophobicContact CB-CB 4.09Å; A330-I333 HydrophobicContact CB-CG1 3.7Å; A330-I333 VanDerWaalsContact O-CB 3.31Å; A330-I333 WeakPolarHBondContact O-CB 3.08Å; A330-I333 PolarHBondContact O-N 3.47Å
331	E	96	Very high	96.4	Very high	157 Å²	157	56.7 Å²	56.7	73%	0.734	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-27.6	178.9	-61.6	-179.7	178.2	0	0	113.2	D311 I333	D311-E331 WeakPolarHBondContact O-CA 3.35Å; E331-I333 VanDerWaalsContact C-N 3.34Å
332	Q	94.6	Very high	96.4	Very high	87 Å²	87	51.4 Å²	51.4	41%	0.407	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-12.2	175.1	65.1	-88.5	43.3	0	0	113.8	A330 F369 W378	A330-Q332 PolarHBondContact O-N 3.4Å; Q332-F369 HydrophobicContact CB-CZ 4.43Å; Q332-F369 HydrophobicContact CG-CE1 4.24Å; Q332-F369 HydrophobicContact CG-CZ 4.32Å; Q332-W378 HydrophobicContact CG-CB 4.39Å
333	I	96.5	Very high	96.2	Very high	3 Å²	3	53.1 Å²	53.1	2%	0.015	26%	0.262	C	S	.	.	S	Bend	trans	-81.4	125.9	-177.1	-61.4	-55.4	0	0	0	109.7	V309 D311 A330 E331 I349 F369 W378	V309-I333 HydrophobicContact CG1-CG2 4.43Å; D311-I333 WeakPolarHBondContact CB-O 3.39Å; A330-I333 HydrophobicContact CB-CB 4.09Å; A330-I333 HydrophobicContact CB-CG1 3.7Å; A330-I333 VanDerWaalsContact O-CB 3.31Å; A330-I333 WeakPolarHBondContact O-CB 3.08Å; A330-I333 PolarHBondContact O-N 3.47Å; E331-I333 VanDerWaalsContact C-N 3.34Å; I333-I349 HydrophobicContact CD1-CD1 4.22Å; I333-I349 HydrophobicContact CD1-CG2 4.48Å; I333-I349 HydrophobicContact CG1-CD1 4.4Å; I333-I349 HydrophobicContact CG2-CD1 4Å; I333-I349 HydrophobicContact CG2-CG2 4.08Å; I333-F369 HydrophobicContact CD1-CB 4.06Å; I333-F369 HydrophobicContact CD1-CD2 3.55Å; I333-F369 HydrophobicContact CD1-CE2 4.04Å; I333-F369 HydrophobicContact CD1-CG 3.82Å; I333-W378 HydrophobicContact CD1-CB 4.48Å; I333-W378 HydrophobicContact CD1-CD2 3.74Å; I333-W378 HydrophobicContact CD1-CE3 4.03Å; I333-W378 HydrophobicContact CD1-CG 3.95Å; I333-W378 HydrophobicContact CG1-CD2 4.18Å; I333-W378 HydrophobicContact CG1-CG 4.33Å; I333-W378 HydrophobicContact CG1-CZ2 4.49Å
334	P	94.9	Very high	95.9	Very high	21 Å²	21	56.2 Å²	56.2	14%	0.136	28%	0.277	C	S	.	.			trans	-69.3	140	-179.3	25.7	-31.9	0	0	0	111.3	N336 H337 Y367	P334-N336 VanDerWaalsContact C-N 3.31Å; P334-N336 PolarHBondContact O-N 3.18Å; P334-H337 HydrophobicContact CG-CB 4.3Å; P334-H337 WeakPolarHBondContact O-CB 3.43Å; P334-H337 PolarHBondContact O-ND1 2.89Å; P334-Y367 HydrophobicContact CG-CD2 4.2Å
335	R	93.2	Very high	95.6	Very high	183 Å²	183	56.2 Å²	56.2	69%	0.691	28%	0.275	S	S	*	.	S	Bend	trans	-50.1	-48.4	177.2	-71.7	-178	-177.6	174.4	2.3	113.5	D311 H337	D311-R335 HydrophobicContact CB-CG 3.73Å; D311-R335 VanDerWaalsContact OD2-CG 3.31Å; D311-R335 WeakPolarHBondContact OD2-CG 3.37Å; D311-R335 IonicContact OD2-CZ 2.81Å; D311-R335 IonicContact OD2-NE 2.78Å; D311-R335 PolarHBondContact OD2-NE 2.95Å; D311-R335 IonicContact OD2-NH2 2.66Å; D311-R335 PolarHBondContact OD2-NH2 3.17Å; R335-H337 PolarHBondContact O-N 3.33Å; R335-H337 VanDerWaalsContact O-N 3.16Å; R335-H337 PolarHBondContact O-ND1 3.06Å
336	N	90.8	Very high	95.4	Very high	135 Å²	135	57.2 Å²	57.2	72%	0.722	28%	0.28	S	S	*	.	S	Bend	trans	-87.5	83.6	178.8	-63.3	-33.3	0	0	0	109.5	P334 G351 G352	P334-N336 VanDerWaalsContact C-N 3.31Å; P334-N336 PolarHBondContact O-N 3.18Å; N336-G351 WeakPolarHBondContact O-CA 3.41Å; N336-G352 PolarHBondContact O-N 3.28Å
337	H	96.9	Very high	95.4	Very high	22 Å²	22	55.1 Å²	55.1	10%	0.102	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	166.7	177.5	68.7	-86	0	0	0	112.5	V309 P334 R335 I349 V350 S592	V309-H337 PolarHBondContact O-CE1 3.09Å; V309-H337 PolarHBondContact O-NE2 2.79Å; P334-H337 HydrophobicContact CG-CB 4.3Å; P334-H337 WeakPolarHBondContact O-CB 3.43Å; P334-H337 PolarHBondContact O-ND1 2.89Å; R335-H337 PolarHBondContact O-N 3.33Å; R335-H337 VanDerWaalsContact O-N 3.16Å; R335-H337 PolarHBondContact O-ND1 3.06Å; H337-I349 HydrophobicContact CB-CG2 3.68Å; H337-V350 WeakPolarHBondContact CA-O 3.45Å; H337-S592 PolarHBondContact CD2-OG 3.1Å; H337-S592 WeakPolarHBondContact NE2-CB 3.5Å; H337-S592 PolarHBondContact NE2-OG 3.06Å
338	S	97.4	Very high	95.4	Very high	36 Å²	36	54.6 Å²	54.6	25%	0.252	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	147.8	166.5	-62.7	0	0	0	0	108	I349 V350 L393	S338-I349 WeakPolarHBondContact O-CA 3.48Å; S338-V350 PolarHBondContact N-O 3.32Å; S338-V350 PolarHBondContact O-N 3.18Å; S338-L393 VanDerWaalsContact C-CD1 3.47Å; S338-L393 WeakPolarHBondContact O-CD1 3.46Å
339	S	97.9	Very high	95.5	Very high	19 Å²	19	54.4 Å²	54.4	13%	0.133	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	156.6	-177.2	65.9	0	0	0	0	111.2	Y348 S592 L594	S339-Y348 CarbonylContact C-O 3.58Å; S339-Y348 VanDerWaalsContact CA-O 3.23Å; S339-Y348 WeakPolarHBondContact CA-O 3.43Å; S339-S592 WeakPolarHBondContact CB-OG 3.49Å; S339-S592 WeakPolarHBondContact OG-CB 3.01Å; S339-S592 PolarHBondContact OG-OG 3.39Å; S339-L594 VanDerWaalsContact OG-CD1 3.26Å; S339-L594 WeakPolarHBondContact OG-CD1 3.46Å; S339-L594 WeakPolarHBondContact OG-CD2 2.84Å; S339-L594 VanDerWaalsContact OG-CG 3.27Å; S339-L594 WeakPolarHBondContact OG-CG 3.26Å
340	I	98	Very high	95.5	Very high	17 Å²	17	49.5 Å²	49.5	9%	0.087	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	145	178.7	-171.1	165.8	0	0	0	110.1	V347 Y348 L393 E395 I400	I340-V347 WeakPolarHBondContact O-CA 3.27Å; I340-Y348 PolarHBondContact N-O 2.88Å; I340-Y348 PolarHBondContact O-N 2.76Å; I340-L393 HydrophobicContact CB-CB 4.16Å; I340-L393 HydrophobicContact CB-CD1 4.18Å; I340-L393 HydrophobicContact CD1-CB 4.18Å; I340-L393 HydrophobicContact CG2-CB 4.42Å; I340-L393 HydrophobicContact CG2-CD1 4.06Å; I340-E395 HydrophobicContact CD1-CB 3.78Å; I340-I400 HydrophobicContact CG2-CD1 4.07Å; I340-I400 HydrophobicContact CG2-CG2 4.36Å
341	V	97	Very high	95.4	Very high	34 Å²	34	49.6 Å²	49.6	21%	0.206	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	127.6	170.3	-174.3	0	0	0	0	108.6	Q346 V347 L594	V341-Q346 CarbonylContact C-O 3.59Å; V341-Q346 WeakPolarHBondContact CA-O 3.28Å; V341-V347 HydrophobicContact CG2-CG2 4.16Å; V341-L594 HydrophobicContact CG2-CB 3.73Å; V341-L594 HydrophobicContact CG2-CD1 3.68Å; V341-L594 HydrophobicContact CG2-CD2 4.1Å; V341-L594 HydrophobicContact CG2-CG 4.05Å
342	T	95.1	Very high	95.3	Very high	6 Å²	6	42.7 Å²	42.7	4%	0.037	21%	0.21	C	C	.	.			trans	-76.2	164.9	175.4	74.4	0	0	0	0	111.2	Q344 N345 Q346 Y348 E395 I400	T342-Q344 PolarHBondContact O-N 3.49Å; T342-Q344 VanDerWaalsContact O-N 3.11Å; T342-Q344 PolarHBondContact OG1-N 3.43Å; T342-N345 WeakPolarHBondContact O-CA 3.33Å; T342-N345 PolarHBondContact O-N 2.89Å; T342-Q346 HydrophobicContact CG2-CB 4.13Å; T342-Q346 PolarHBondContact N-O 2.84Å; T342-Q346 WeakPolarHBondContact OG1-CB 3.27Å; T342-Q346 PolarHBondContact OG1-N 3.46Å; T342-Y348 HydrophobicContact CG2-CD2 3.75Å; T342-Y348 HydrophobicContact CG2-CE2 3.55Å; T342-E395 HydrophobicContact CG2-CG 4.03Å; T342-I400 HydrophobicContact CG2-CD1 3.74Å
343	K	91.6	Very high	95	Very high	126 Å²	126	42.4 Å²	42.4	55%	0.548	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-25.3	169.5	-70.6	178	-178.5	-179.7	0	113.8	N345	K343-N345 PolarHBondContact O-N 2.99Å
344	Q	89.8	Confident	94.5	Very high	122 Å²	122	45.5 Å²	45.5	57%	0.57	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.3	9.9	175.4	-60.9	-173.4	4.3	0	0	112.8	T342 Q346 N398	T342-Q344 PolarHBondContact O-N 3.49Å; T342-Q344 VanDerWaalsContact O-N 3.11Å; T342-Q344 PolarHBondContact OG1-N 3.43Å; Q344-Q346 VanDerWaalsContact C-N 3.29Å; Q344-Q346 HydrophobicContact CB-CG 4.44Å; Q344-Q346 PolarHBondContact O-N 3.37Å; Q344-N398 PolarHBondContact OE1-OD1 2.94Å
345	N	91.9	Very high	93.8	Very high	24 Å²	24	47.9 Å²	47.9	13%	0.128	24%	0.236	C	C	.	.			trans	64.8	31.1	178.2	-163	65.5	0	0	0	113.9	T342 K343 N373 T596 R597	T342-N345 WeakPolarHBondContact O-CA 3.33Å; T342-N345 PolarHBondContact O-N 2.89Å; K343-N345 PolarHBondContact O-N 2.99Å; N345-N373 PolarHBondContact O-ND2 2.84Å; N345-N373 VanDerWaalsContact O-ND2 3.08Å; N345-T596 PolarHBondContact OD1-OG1 2.93Å; N345-T596 VanDerWaalsContact OD1-OG1 3.13Å; N345-R597 PolarHBondContact ND2-O 2.83Å; N345-R597 WeakPolarHBondContact OD1-CB 3.47Å; N345-R597 PolarHBondContact OD1-N 2.94Å
346	Q	94.4	Very high	93	Very high	46 Å²	46	42.2 Å²	42.2	22%	0.215	22%	0.218	C	C	.	.			trans	-93.8	128.4	173	-62.4	171.4	-33.7	0	0	108.8	V341 T342 Q344 Y348 N398	V341-Q346 CarbonylContact C-O 3.59Å; V341-Q346 WeakPolarHBondContact CA-O 3.28Å; T342-Q346 HydrophobicContact CG2-CB 4.13Å; T342-Q346 PolarHBondContact N-O 2.84Å; T342-Q346 WeakPolarHBondContact OG1-CB 3.27Å; T342-Q346 PolarHBondContact OG1-N 3.46Å; Q344-Q346 VanDerWaalsContact C-N 3.29Å; Q344-Q346 HydrophobicContact CB-CG 4.44Å; Q344-Q346 PolarHBondContact O-N 3.37Å; Q346-Y348 HydrophobicContact CB-CD2 4.25Å; Q346-Y348 HydrophobicContact CB-CE2 3.58Å; Q346-Y348 PolarHBondContact OE1-OH 2.93Å; Q346-N398 PolarHBondContact OE1-OD1 3.5Å
347	V	97.4	Very high	92.3	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	126.3	178.1	-175.1	0	0	0	0	108.7	L307 I340 V341 Q370 L371 W378 L594	L307-V347 HydrophobicContact CD2-CG1 4.15Å; L307-V347 HydrophobicContact CD2-CG2 4.04Å; I340-V347 WeakPolarHBondContact O-CA 3.27Å; V341-V347 HydrophobicContact CG2-CG2 4.16Å; V347-Q370 WeakPolarHBondContact O-CA 3.17Å; V347-L371 HydrophobicContact CB-CB 3.85Å; V347-L371 HydrophobicContact CB-CD2 4.31Å; V347-L371 HydrophobicContact CG2-CB 4.47Å; V347-L371 HydrophobicContact CG2-CD2 4.18Å; V347-L371 PolarHBondContact O-N 2.88Å; V347-W378 HydrophobicContact CG1-CH2 4.09Å; V347-W378 HydrophobicContact CG1-CZ3 4.39Å; V347-L594 HydrophobicContact CG1-CD1 3.71Å
348	Y	98.3	Very high	91.2	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.008	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	146.1	175.8	-70.8	-86.6	0	0	0	110.7	S339 I340 T342 Q346 F368 F369 Q370 L381 I400	S339-Y348 CarbonylContact C-O 3.58Å; S339-Y348 VanDerWaalsContact CA-O 3.23Å; S339-Y348 WeakPolarHBondContact CA-O 3.43Å; I340-Y348 PolarHBondContact N-O 2.88Å; I340-Y348 PolarHBondContact O-N 2.76Å; T342-Y348 HydrophobicContact CG2-CD2 3.75Å; T342-Y348 HydrophobicContact CG2-CE2 3.55Å; Q346-Y348 HydrophobicContact CB-CD2 4.25Å; Q346-Y348 HydrophobicContact CB-CE2 3.58Å; Q346-Y348 PolarHBondContact OE1-OH 2.93Å; Y348-F368 HydrophobicContact CD1-CE1 4.44Å; Y348-F368 AromaticContact CD1-CE2 3.55Å; Y348-F368 HydrophobicContact CD1-CE2 3.55Å; Y348-F368 AromaticContact CD1-CZ 3.44Å; Y348-F368 HydrophobicContact CD1-CZ 3.44Å; Y348-F368 VanDerWaalsContact CD1-CZ 3.44Å; Y348-F368 HydrophobicContact CE1-CE2 4.45Å; Y348-F368 AromaticContact CE1-CZ 3.92Å; Y348-F368 HydrophobicContact CE1-CZ 3.92Å; Y348-F368 HydrophobicContact CG-CE2 4.15Å; Y348-F368 HydrophobicContact CG-CZ 4.29Å; Y348-F369 CarbonylContact C-O 3.54Å; Y348-F369 WeakPolarHBondContact CA-O 3.44Å; Y348-Q370 HydrophobicContact CD1-CB 3.88Å; Y348-Q370 HydrophobicContact CD1-CG 4.21Å; Y348-Q370 HydrophobicContact CE1-CB 3.71Å; Y348-Q370 HydrophobicContact CE1-CG 3.81Å; Y348-Q370 VanDerWaalsContact OH-CD 3.31Å; Y348-Q370 PolarHBondContact OH-NE2 2.78Å; Y348-Q370 PolarHBondContact OH-OE1 3.46Å; Y348-L381 HydrophobicContact CD1-CD1 3.97Å; Y348-L381 HydrophobicContact CE1-CD1 3.57Å; Y348-I400 HydrophobicContact CD1-CG1 4.45Å; Y348-I400 HydrophobicContact CD2-CD1 3.72Å; Y348-I400 HydrophobicContact CD2-CG1 4.02Å; Y348-I400 HydrophobicContact CE2-CD1 4.08Å; Y348-I400 HydrophobicContact CE2-CG1 4.26Å; Y348-I400 HydrophobicContact CG-CD1 4.22Å; Y348-I400 HydrophobicContact CG-CG1 4.11Å
349	I	98.1	Very high	90	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	131.6	174.9	-68	-171.6	0	0	0	109.8	V309 I333 H337 S338 F368 F369 W378	V309-I349 HydrophobicContact CB-CD1 4.03Å; V309-I349 HydrophobicContact CG1-CD1 3.51Å; V309-I349 HydrophobicContact CG2-CD1 4.37Å; I333-I349 HydrophobicContact CD1-CD1 4.22Å; I333-I349 HydrophobicContact CD1-CG2 4.48Å; I333-I349 HydrophobicContact CG1-CD1 4.4Å; I333-I349 HydrophobicContact CG2-CD1 4Å; I333-I349 HydrophobicContact CG2-CG2 4.08Å; H337-I349 HydrophobicContact CB-CG2 3.68Å; S338-I349 WeakPolarHBondContact O-CA 3.48Å; I349-F368 WeakPolarHBondContact O-CA 3.14Å; I349-F368 WeakPolarHBondContact O-CD2 3.47Å; I349-F369 PolarHBondContact N-O 2.8Å; I349-F369 PolarHBondContact O-N 3.13Å; I349-W378 HydrophobicContact CB-CZ3 4.29Å; I349-W378 HydrophobicContact CD1-CE3 4.42Å; I349-W378 HydrophobicContact CD1-CH2 3.18Å; I349-W378 HydrophobicContact CD1-CZ2 3.78Å; I349-W378 HydrophobicContact CD1-CZ3 3.55Å; I349-W378 HydrophobicContact CG1-CH2 3.74Å; I349-W378 HydrophobicContact CG1-CZ3 3.68Å
350	V	98.4	Very high	88.5	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	134.4	173.1	-176.3	0	0	0	0	108.4	H337 S338 Y367 F368 L384 F391 L393 V402	H337-V350 WeakPolarHBondContact CA-O 3.45Å; S338-V350 PolarHBondContact N-O 3.32Å; S338-V350 PolarHBondContact O-N 3.18Å; V350-Y367 WeakPolarHBondContact CA-O 3.44Å; V350-F368 HydrophobicContact CG2-CD2 3.41Å; V350-F368 VanDerWaalsContact CG2-CD2 3.41Å; V350-F368 HydrophobicContact CG2-CE2 3.69Å; V350-F368 HydrophobicContact CG2-CG 4.4Å; V350-L384 HydrophobicContact CG1-CB 4.34Å; V350-L384 HydrophobicContact CG1-CD2 3.88Å; V350-F391 HydrophobicContact CB-CE2 4.02Å; V350-F391 HydrophobicContact CB-CZ 3.97Å; V350-F391 HydrophobicContact CG1-CE2 3.97Å; V350-F391 HydrophobicContact CG1-CZ 3.66Å; V350-F391 WeakPolarHBondContact O-CZ 3.3Å; V350-L393 HydrophobicContact CB-CD1 4.5Å; V350-L393 HydrophobicContact CB-CD2 4.25Å; V350-L393 HydrophobicContact CG2-CD1 4.44Å; V350-L393 HydrophobicContact CG2-CD2 3.97Å; V350-V402 HydrophobicContact CG1-CG2 4.29Å; V350-V402 HydrophobicContact CG2-CG2 4.26Å
351	G	95.7	Very high	87.2	Confident	1 Å²	1	68.3 Å²	68.3	1%	0.01	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	165.2	-174	174.6	0	0	0	0	0	115.1	N336 Y367	N336-G351 WeakPolarHBondContact O-CA 3.41Å; G351-Y367 PolarHBondContact N-O 3Å; G351-Y367 VanDerWaalsContact N-O 3.08Å; G351-Y367 WeakPolarHBondContact O-CB 3.32Å; G351-Y367 PolarHBondContact O-N 2.9Å
352	G	92.4	Very high	85.9	Confident	13 Å²	13	70.4 Å²	70.4	13%	0.134	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	62.2	-170.2	-179.5	0	0	0	0	0	114.5	N336 S366	N336-G352 PolarHBondContact O-N 3.28Å; G352-S366 WeakPolarHBondContact O-CA 3.19Å; G352-S366 WeakPolarHBondContact O-CB 3.36Å; G352-S366 PolarHBondContact O-OG 2.93Å
353	L	90.3	Very high	84.9	Confident	81 Å²	81	74.1 Å²	74.1	42%	0.424	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	114.4	179.6	-176.4	68.8	0	0	0	108.9	V355 F364 Y367 A387 L408	L353-V355 HydrophobicContact CD2-CG2 4.16Å; L353-V355 HydrophobicContact CG-CG2 4.05Å; L353-F364 HydrophobicContact CD1-CB 3.82Å; L353-F364 HydrophobicContact CD1-CD1 3.61Å; L353-F364 HydrophobicContact CD1-CG 4.03Å; L353-F364 HydrophobicContact CD2-CD1 4.17Å; L353-F364 HydrophobicContact CD2-CE1 4.32Å; L353-F364 HydrophobicContact CG-CD1 4.13Å; L353-Y367 WeakPolarHBondContact O-CE2 3.38Å; L353-A387 HydrophobicContact CD1-CB 3.65Å; L353-L408 HydrophobicContact CD1-CD1 4.33Å
354	Y	85.3	Confident	84.5	Confident	67 Å²	67	72.4 Å²	72.4	26%	0.263	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	131.1	170.4	177.2	-100.8	0	0	0	109.6	E356 Q365 Y367 P383	Y354-E356 HydrophobicContact CE1-CB 4.19Å; Y354-Q365 HydrophobicContact CD1-CB 4.03Å; Y354-Q365 PolarHBondContact N-O 2.98Å; Y354-Q365 PolarHBondContact O-N 2.79Å; Y354-Y367 AromaticContact CD2-CD1 3.89Å; Y354-Y367 HydrophobicContact CD2-CD1 3.89Å; Y354-Y367 AromaticContact CD2-CE1 3.44Å; Y354-Y367 HydrophobicContact CD2-CE1 3.44Å; Y354-Y367 VanDerWaalsContact CD2-CE1 3.44Å; Y354-Y367 AromaticContact CD2-CZ 3.88Å; Y354-Y367 HydrophobicContact CE2-CE1 4.27Å; Y354-Y367 HydrophobicContact CG-CE1 4.32Å; Y354-P383 HydrophobicContact CD1-CB 4.12Å; Y354-P383 HydrophobicContact CD1-CG 4.17Å; Y354-P383 HydrophobicContact CE1-CG 4.16Å; Y354-P383 HydrophobicContact CG-CB 4.45Å
355	V	79.2	Confident	84.7	Confident	72 Å²	72	67.8 Å²	67.8	44%	0.436	34%	0.336	S	S	.	.			trans	-128.9	121.3	176.3	-173.5	0	0	0	0	107.7	L353 E357 F364	L353-V355 HydrophobicContact CD2-CG2 4.16Å; L353-V355 HydrophobicContact CG-CG2 4.05Å; V355-E357 PolarHBondContact O-N 2.82Å; V355-F364 HydrophobicContact CG2-CD1 3.88Å; V355-F364 HydrophobicContact CG2-CE1 3.83Å
356	E	76.5	Confident	84.9	Confident	64 Å²	64	66.7 Å²	66.7	30%	0.299	33%	0.33	S	S	.	.			trans	-78.5	111.6	175	-164.8	169.9	-142.3	0	0	109.1	Y354 E358 N359 Q362	Y354-E356 HydrophobicContact CE1-CB 4.19Å; E356-E358 PolarHBondContact O-N 2.8Å; E356-N359 CarbonylContact O-C 3.54Å; E356-N359 PolarHBondContact O-N 3.11Å; E356-Q362 PolarHBondContact OE2-NE2 3.08Å; E356-Q362 PolarHBondContact OE2-OE1 3Å
357	E	76.1	Confident	85	Confident	178 Å²	178	68.3 Å²	68.3	83%	0.832	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-31.3	-172.5	-64.9	-168.8	164.6	0	0	113	V355	V355-E357 PolarHBondContact O-N 2.82Å
358	E	75.1	Confident	85	Confident	191 Å²	191	68.5 Å²	68.5	89%	0.893	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-20.3	-177.1	-61.9	-171.8	171.1	0	0	113.2	E356	E356-E358 PolarHBondContact O-N 2.8Å
359	N	71.3	Confident	85	Confident	67 Å²	67	69.1 Å²	69.1	36%	0.358	34%	0.338	S	S	.	.			trans	-139.5	84.1	-175.5	-165.5	-12.8	0	0	0	112.5	E356 D361 Q362	E356-N359 CarbonylContact O-C 3.54Å; E356-N359 PolarHBondContact O-N 3.11Å; N359-D361 PolarHBondContact O-N 2.72Å; N359-D361 VanDerWaalsContact O-N 3.09Å; N359-D361 PolarHBondContact OD1-N 2.96Å; N359-Q362 HydrophobicContact CB-CG 4.2Å; N359-Q362 PolarHBondContact O-N 2.9Å; N359-Q362 VanDerWaalsContact O-N 3.15Å
360	K	66.9	Low	85	Confident	185 Å²	185	71.2 Å²	71.2	80%	0.804	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-11.6	180	-63.7	-174.8	-179.4	-179.7	0	114.7
361	D	70.4	Confident	84.9	Confident	156 Å²	156	71.5 Å²	71.5	83%	0.834	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-9.7	178.5	-65.4	-34.4	0	0	0	112.6	N359	N359-D361 PolarHBondContact O-N 2.72Å; N359-D361 VanDerWaalsContact O-N 3.09Å; N359-D361 PolarHBondContact OD1-N 2.96Å
362	Q	68.8	Low	84.8	Confident	78 Å²	78	74.1 Å²	74.1	36%	0.364	36%	0.363	S	S	.	.	S	Bend	trans	-69.6	145.3	173.6	-75.6	-151.5	26.6	0	0	112	E356 N359	E356-Q362 PolarHBondContact OE2-NE2 3.08Å; E356-Q362 PolarHBondContact OE2-OE1 3Å; N359-Q362 HydrophobicContact CB-CG 4.2Å; N359-Q362 PolarHBondContact O-N 2.9Å; N359-Q362 VanDerWaalsContact O-N 3.15Å
363	P	75.6	Confident	84.5	Confident	83 Å²	83	75.9 Å²	75.9	54%	0.539	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-63	144.5	175.9	27.8	-33.8	0	0	0	110.4	Q365	P363-Q365 WeakPolarHBondContact O-CG 3.46Å; P363-Q365 PolarHBondContact O-N 3.15Å
364	F	83.4	Confident	84.2	Confident	91 Å²	91	74.1 Å²	74.1	40%	0.399	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-57.4	135.8	172.5	-69.2	-79.1	0	0	0	111.2	L353 V355 A387	L353-F364 HydrophobicContact CD1-CB 3.82Å; L353-F364 HydrophobicContact CD1-CD1 3.61Å; L353-F364 HydrophobicContact CD1-CG 4.03Å; L353-F364 HydrophobicContact CD2-CD1 4.17Å; L353-F364 HydrophobicContact CD2-CE1 4.32Å; L353-F364 HydrophobicContact CG-CD1 4.13Å; V355-F364 HydrophobicContact CG2-CD1 3.88Å; V355-F364 HydrophobicContact CG2-CE1 3.83Å; F364-A387 HydrophobicContact CB-CB 3.55Å; F364-A387 WeakPolarHBondContact O-CB 3.23Å; F364-A387 PolarHBondContact O-N 2.79Å
365	Q	93	Very high	84.3	Confident	25 Å²	25	73.6 Å²	73.6	12%	0.117	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	174.2	-178.3	-67.1	169.7	-22.3	0	0	110.4	Y354 P363 P383 L384	Y354-Q365 HydrophobicContact CD1-CB 4.03Å; Y354-Q365 PolarHBondContact N-O 2.98Å; Y354-Q365 PolarHBondContact O-N 2.79Å; P363-Q365 WeakPolarHBondContact O-CG 3.46Å; P363-Q365 PolarHBondContact O-N 3.15Å; Q365-P383 HydrophobicContact CB-CB 4.04Å; Q365-L384 VanDerWaalsContact CA-O 3.3Å; Q365-L384 WeakPolarHBondContact CA-O 3.49Å; Q365-L384 WeakPolarHBondContact CB-O 3.35Å
366	S	95.5	Very high	84.9	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	146.6	168.3	-70.4	0	0	0	0	110.3	G352 P383 L384 A387 R388	G352-S366 WeakPolarHBondContact O-CA 3.19Å; G352-S366 WeakPolarHBondContact O-CB 3.36Å; G352-S366 PolarHBondContact O-OG 2.93Å; S366-P383 WeakPolarHBondContact O-CB 3.23Å; S366-L384 PolarHBondContact N-O 3.2Å; S366-L384 VanDerWaalsContact N-O 3.14Å; S366-L384 PolarHBondContact O-N 2.93Å; S366-A387 WeakPolarHBondContact OG-CA 3.46Å; S366-R388 PolarHBondContact OG-N 2.83Å
367	Y	97	Very high	85.8	Confident	81 Å²	81	74.4 Å²	74.4	32%	0.318	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	147.3	175.7	-68.8	-82.9	0	0	0	110.7	P334 V350 G351 L353 Y354 F369	P334-Y367 HydrophobicContact CG-CD2 4.2Å; V350-Y367 WeakPolarHBondContact CA-O 3.44Å; G351-Y367 PolarHBondContact N-O 3Å; G351-Y367 VanDerWaalsContact N-O 3.08Å; G351-Y367 WeakPolarHBondContact O-CB 3.32Å; G351-Y367 PolarHBondContact O-N 2.9Å; L353-Y367 WeakPolarHBondContact O-CE2 3.38Å; Y354-Y367 AromaticContact CD2-CD1 3.89Å; Y354-Y367 HydrophobicContact CD2-CD1 3.89Å; Y354-Y367 AromaticContact CD2-CE1 3.44Å; Y354-Y367 HydrophobicContact CD2-CE1 3.44Å; Y354-Y367 VanDerWaalsContact CD2-CE1 3.44Å; Y354-Y367 AromaticContact CD2-CZ 3.88Å; Y354-Y367 HydrophobicContact CE2-CE1 4.27Å; Y354-Y367 HydrophobicContact CG-CE1 4.32Å; Y367-F369 AromaticContact CD1-CE2 3.88Å; Y367-F369 HydrophobicContact CD1-CE2 3.88Å; Y367-F369 AromaticContact CD1-CZ 3.82Å; Y367-F369 HydrophobicContact CD1-CZ 3.82Å; Y367-F369 AromaticContact CG-CE2 3.91Å; Y367-F369 HydrophobicContact CG-CE2 3.91Å; Y367-F369 HydrophobicContact CG-CZ 4.33Å
368	F	98.1	Very high	86.8	Confident	3 Å²	3	66.8 Å²	66.8	1%	0.013	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	121.5	173.8	-175.3	-142.5	0	0	0	109.6	Y348 I349 V350 L381 P382 I400 Y420 W427	Y348-F368 HydrophobicContact CD1-CE1 4.44Å; Y348-F368 AromaticContact CD1-CE2 3.55Å; Y348-F368 HydrophobicContact CD1-CE2 3.55Å; Y348-F368 AromaticContact CD1-CZ 3.44Å; Y348-F368 HydrophobicContact CD1-CZ 3.44Å; Y348-F368 VanDerWaalsContact CD1-CZ 3.44Å; Y348-F368 HydrophobicContact CE1-CE2 4.45Å; Y348-F368 AromaticContact CE1-CZ 3.92Å; Y348-F368 HydrophobicContact CE1-CZ 3.92Å; Y348-F368 HydrophobicContact CG-CE2 4.15Å; Y348-F368 HydrophobicContact CG-CZ 4.29Å; I349-F368 WeakPolarHBondContact O-CA 3.14Å; I349-F368 WeakPolarHBondContact O-CD2 3.47Å; V350-F368 HydrophobicContact CG2-CD2 3.41Å; V350-F368 VanDerWaalsContact CG2-CD2 3.41Å; V350-F368 HydrophobicContact CG2-CE2 3.69Å; V350-F368 HydrophobicContact CG2-CG 4.4Å; F368-L381 HydrophobicContact CB-CB 4.42Å; F368-L381 HydrophobicContact CD1-CB 3.42Å; F368-L381 VanDerWaalsContact CD1-CB 3.42Å; F368-L381 HydrophobicContact CD1-CD1 3.92Å; F368-L381 HydrophobicContact CD1-CG 4.33Å; F368-L381 HydrophobicContact CE1-CB 3.9Å; F368-L381 HydrophobicContact CE1-CD1 3.57Å; F368-L381 HydrophobicContact CE1-CG 4.42Å; F368-L381 HydrophobicContact CG-CB 4.06Å; F368-L381 HydrophobicContact CZ-CD1 3.97Å; F368-L381 PolarHBondContact O-N 2.99Å; F368-P382 WeakPolarHBondContact CD1-O 3.03Å; F368-I400 HydrophobicContact CZ-CG1 4.42Å; F368-Y420 HydrophobicContact CD1-CD2 4.38Å; F368-Y420 HydrophobicContact CD1-CE2 4.44Å; F368-Y420 AromaticContact CE1-CD1 3.48Å; F368-Y420 HydrophobicContact CE1-CD1 3.48Å; F368-Y420 VanDerWaalsContact CE1-CD1 3.48Å; F368-Y420 AromaticContact CE1-CD2 3.71Å; F368-Y420 HydrophobicContact CE1-CD2 3.71Å; F368-Y420 AromaticContact CE1-CE1 3.62Å; F368-Y420 HydrophobicContact CE1-CE1 3.62Å; F368-Y420 AromaticContact CE1-CE2 3.86Å; F368-Y420 HydrophobicContact CE1-CE2 3.86Å; F368-Y420 AromaticContact CE1-CG 3.51Å; F368-Y420 HydrophobicContact CE1-CG 3.51Å; F368-Y420 AromaticContact CE1-CZ 3.82Å; F368-Y420 AromaticContact CZ-CD1 3.72Å; F368-Y420 HydrophobicContact CZ-CD1 3.72Å; F368-Y420 HydrophobicContact CZ-CE1 4.1Å; F368-Y420 AromaticContact CZ-CG 3.99Å; F368-Y420 HydrophobicContact CZ-CG 3.99Å; F368-W427 HydrophobicContact CB-CZ2 4.46Å; F368-W427 AromaticContact CD1-CZ2 3.54Å; F368-W427 HydrophobicContact CD1-CZ2 3.54Å; F368-W427 AromaticContact CD1-NE1 3.99Å; F368-W427 HydrophobicContact CD2-CZ2 4.23Å; F368-W427 HydrophobicContact CE1-CH2 4.42Å; F368-W427 AromaticContact CE1-CZ2 3.67Å; F368-W427 HydrophobicContact CE1-CZ2 3.67Å; F368-W427 HydrophobicContact CE2-CZ2 4.31Å; F368-W427 AromaticContact CG-CZ2 3.84Å; F368-W427 HydrophobicContact CG-CZ2 3.84Å; F368-W427 HydrophobicContact CZ-CH2 4.42Å; F368-W427 HydrophobicContact CZ-CZ2 4.05Å
369	F	98.2	Very high	87.8	Confident	16 Å²	16	61 Å²	61	7%	0.07	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	152.1	-177.6	-64.2	-81.5	0	0	0	111.1	Q332 I333 Y348 I349 Y367 W378 V379 A380	Q332-F369 HydrophobicContact CB-CZ 4.43Å; Q332-F369 HydrophobicContact CG-CE1 4.24Å; Q332-F369 HydrophobicContact CG-CZ 4.32Å; I333-F369 HydrophobicContact CD1-CB 4.06Å; I333-F369 HydrophobicContact CD1-CD2 3.55Å; I333-F369 HydrophobicContact CD1-CE2 4.04Å; I333-F369 HydrophobicContact CD1-CG 3.82Å; Y348-F369 CarbonylContact C-O 3.54Å; Y348-F369 WeakPolarHBondContact CA-O 3.44Å; I349-F369 PolarHBondContact N-O 2.8Å; I349-F369 PolarHBondContact O-N 3.13Å; Y367-F369 AromaticContact CD1-CE2 3.88Å; Y367-F369 HydrophobicContact CD1-CE2 3.88Å; Y367-F369 AromaticContact CD1-CZ 3.82Å; Y367-F369 HydrophobicContact CD1-CZ 3.82Å; Y367-F369 AromaticContact CG-CE2 3.91Å; Y367-F369 HydrophobicContact CG-CE2 3.91Å; Y367-F369 HydrophobicContact CG-CZ 4.33Å; F369-W378 HydrophobicContact CB-CE3 3.86Å; F369-W378 HydrophobicContact CD1-CB 4.25Å; F369-V379 WeakPolarHBondContact CA-O 3.1Å; F369-A380 HydrophobicContact CD1-CB 4.07Å; F369-A380 HydrophobicContact CE1-CB 3.86Å
370	Q	97.8	Very high	89	Confident	44 Å²	44	61.3 Å²	61.3	21%	0.206	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	137.2	167.5	178.3	176.2	-7.8	0	0	109.4	V347 Y348 V379 L381	V347-Q370 WeakPolarHBondContact O-CA 3.17Å; Y348-Q370 HydrophobicContact CD1-CB 3.88Å; Y348-Q370 HydrophobicContact CD1-CG 4.21Å; Y348-Q370 HydrophobicContact CE1-CB 3.71Å; Y348-Q370 HydrophobicContact CE1-CG 3.81Å; Y348-Q370 VanDerWaalsContact OH-CD 3.31Å; Y348-Q370 PolarHBondContact OH-NE2 2.78Å; Y348-Q370 PolarHBondContact OH-OE1 3.46Å; Q370-V379 PolarHBondContact N-O 2.92Å; Q370-V379 PolarHBondContact O-N 2.87Å; Q370-L381 HydrophobicContact CB-CD1 3.72Å; Q370-L381 HydrophobicContact CB-CG 4.29Å
371	L	96.8	Very high	90.4	Very high	5 Å²	5	54 Å²	54	3%	0.026	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	125.1	171.9	-174.8	59.3	0	0	0	109.8	L307 A328 V347 N373 W378	L307-L371 HydrophobicContact CD2-CD2 4.18Å; A328-L371 HydrophobicContact CB-CD1 3.63Å; V347-L371 HydrophobicContact CB-CB 3.85Å; V347-L371 HydrophobicContact CB-CD2 4.31Å; V347-L371 HydrophobicContact CG2-CB 4.47Å; V347-L371 HydrophobicContact CG2-CD2 4.18Å; V347-L371 PolarHBondContact O-N 2.88Å; L371-N373 VanDerWaalsContact CD2-OD1 3.28Å; L371-N373 WeakPolarHBondContact CD2-OD1 3.35Å; L371-N373 WeakPolarHBondContact CG-OD1 3.49Å; L371-N373 PolarHBondContact O-N 2.84Å; L371-W378 HydrophobicContact CB-CE3 4.01Å; L371-W378 HydrophobicContact CB-CH2 3.98Å; L371-W378 HydrophobicContact CB-CZ3 3.72Å; L371-W378 HydrophobicContact CD1-CD2 4.17Å; L371-W378 HydrophobicContact CD1-CE3 4.49Å; L371-W378 HydrophobicContact CD1-CH2 4.49Å; L371-W378 HydrophobicContact CD1-CZ2 4.19Å
372	D	92.6	Very high	91.6	Very high	56 Å²	56	48.6 Å²	48.6	30%	0.299	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	101.9	159.8	-172.4	-27.7	0	0	0	108.4	I374 A375 G376 E377 V379	D372-I374 PolarHBondContact O-N 2.79Å; D372-I374 WeakPolarHBondContact OD1-CA 3.31Å; D372-I374 WeakPolarHBondContact OD1-CB 3.37Å; D372-I374 PolarHBondContact OD1-N 2.9Å; D372-A375 HydrophobicContact CB-CB 4.1Å; D372-A375 PolarHBondContact OD1-N 2.93Å; D372-G376 WeakPolarHBondContact O-CA 3.31Å; D372-G376 PolarHBondContact O-N 2.84Å; D372-E377 PolarHBondContact N-O 2.87Å; D372-E377 PolarHBondContact O-N 2.95Å; D372-V379 HydrophobicContact CB-CG2 4.28Å
373	N	86	Confident	92.9	Very high	50 Å²	50	46.7 Å²	46.7	27%	0.267	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-16.6	-178.1	-64.9	-27.3	0	0	0	113.4	N345 L371 L598	N345-N373 PolarHBondContact O-ND2 2.84Å; N345-N373 VanDerWaalsContact O-ND2 3.08Å; L371-N373 VanDerWaalsContact CD2-OD1 3.28Å; L371-N373 WeakPolarHBondContact CD2-OD1 3.35Å; L371-N373 WeakPolarHBondContact CG-OD1 3.49Å; L371-N373 PolarHBondContact O-N 2.84Å; N373-L598 HydrophobicContact CB-CD2 4.47Å
374	I	85.7	Confident	93.9	Very high	44 Å²	44	42.8 Å²	42.8	23%	0.226	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-49.7	-179.5	-64.3	171.5	0	0	0	109.1	D160 D372	D160-I374 HydrophobicContact CB-CD1 4.37Å; D160-I374 HydrophobicContact CB-CG2 3.69Å; D160-I374 WeakPolarHBondContact O-CD1 3.36Å; D160-I374 VanDerWaalsContact OD2-CG2 3.28Å; D160-I374 WeakPolarHBondContact OD2-CG2 3.4Å; D372-I374 PolarHBondContact O-N 2.79Å; D372-I374 WeakPolarHBondContact OD1-CA 3.31Å; D372-I374 WeakPolarHBondContact OD1-CB 3.37Å; D372-I374 PolarHBondContact OD1-N 2.9Å
375	A	87.5	Confident	94.4	Very high	57 Å²	57	41.5 Å²	41.5	47%	0.471	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-23.9	179.8	0	0	0	0	0	113	D372 E377	D372-A375 HydrophobicContact CB-CB 4.1Å; D372-A375 PolarHBondContact OD1-N 2.93Å; A375-E377 HydrophobicContact CB-CB 4.32Å; A375-E377 HydrophobicContact CB-CG 4.23Å
376	G	91.7	Very high	94.5	Very high	24 Å²	24	41.2 Å²	41.2	25%	0.247	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.1	32.9	-172.6	0	0	0	0	0	112.4	A327 A328 D372	A327-G376 VanDerWaalsContact O-CA 3.32Å; A327-G376 WeakPolarHBondContact O-CA 3.48Å; A328-G376 WeakPolarHBondContact CA-O 3.49Å; A328-G376 WeakPolarHBondContact CB-O 3.27Å; D372-G376 WeakPolarHBondContact O-CA 3.31Å; D372-G376 PolarHBondContact O-N 2.84Å
377	E	94.4	Very high	94.4	Very high	128 Å²	128	41.3 Å²	41.3	60%	0.598	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-128.3	151.8	-174.6	-65	-172.2	168.1	0	0	111.9	D372 A375	D372-E377 PolarHBondContact N-O 2.87Å; D372-E377 PolarHBondContact O-N 2.95Å; A375-E377 HydrophobicContact CB-CB 4.32Å; A375-E377 HydrophobicContact CB-CG 4.23Å
378	W	97.2	Very high	94.4	Very high	18 Å²	18	37.7 Å²	37.7	7%	0.068	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	120	173.6	-64.5	95	0	0	0	111.2	V309 A314 L329 Q332 I333 V347 I349 F369 L371	V309-W378 HydrophobicContact CG1-CH2 4.17Å; V309-W378 HydrophobicContact CG1-CZ2 3.65Å; V309-W378 HydrophobicContact CG2-CH2 4.33Å; V309-W378 HydrophobicContact CG2-CZ2 4.23Å; A314-W378 HydrophobicContact CB-CZ2 3.96Å; L329-W378 PolarHBondContact O-NE1 2.88Å; L329-W378 VanDerWaalsContact O-NE1 3.13Å; Q332-W378 HydrophobicContact CG-CB 4.39Å; I333-W378 HydrophobicContact CD1-CB 4.48Å; I333-W378 HydrophobicContact CD1-CD2 3.74Å; I333-W378 HydrophobicContact CD1-CE3 4.03Å; I333-W378 HydrophobicContact CD1-CG 3.95Å; I333-W378 HydrophobicContact CG1-CD2 4.18Å; I333-W378 HydrophobicContact CG1-CG 4.33Å; I333-W378 HydrophobicContact CG1-CZ2 4.49Å; V347-W378 HydrophobicContact CG1-CH2 4.09Å; V347-W378 HydrophobicContact CG1-CZ3 4.39Å; I349-W378 HydrophobicContact CB-CZ3 4.29Å; I349-W378 HydrophobicContact CD1-CE3 4.42Å; I349-W378 HydrophobicContact CD1-CH2 3.18Å; I349-W378 HydrophobicContact CD1-CZ2 3.78Å; I349-W378 HydrophobicContact CD1-CZ3 3.55Å; I349-W378 HydrophobicContact CG1-CH2 3.74Å; I349-W378 HydrophobicContact CG1-CZ3 3.68Å; F369-W378 HydrophobicContact CB-CE3 3.86Å; F369-W378 HydrophobicContact CD1-CB 4.25Å; L371-W378 HydrophobicContact CB-CE3 4.01Å; L371-W378 HydrophobicContact CB-CH2 3.98Å; L371-W378 HydrophobicContact CB-CZ3 3.72Å; L371-W378 HydrophobicContact CD1-CD2 4.17Å; L371-W378 HydrophobicContact CD1-CE3 4.49Å; L371-W378 HydrophobicContact CD1-CH2 4.49Å; L371-W378 HydrophobicContact CD1-CZ2 4.19Å
379	V	96.1	Very high	94.3	Very high	70 Å²	70	39.1 Å²	39.1	42%	0.424	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	122.1	174.6	-177.2	0	0	0	0	109.1	F369 Q370 D372	F369-V379 WeakPolarHBondContact CA-O 3.1Å; Q370-V379 PolarHBondContact N-O 2.92Å; Q370-V379 PolarHBondContact O-N 2.87Å; D372-V379 HydrophobicContact CB-CG2 4.28Å
380	A	95.9	Very high	94.3	Very high	73 Å²	73	41.6 Å²	41.6	60%	0.603	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.1	132.3	172.6	0	0	0	0	0	110.5	F369	F369-A380 HydrophobicContact CD1-CB 4.07Å; F369-A380 HydrophobicContact CE1-CB 3.86Å
381	L	96.8	Very high	94.3	Very high	31 Å²	31	40 Å²	40	16%	0.162	25%	0.245	C	C	.	.			trans	-113.3	168.9	178.8	-68.3	-177.2	0	0	0	110.5	Y348 F368 Q370 P383 Y420	Y348-L381 HydrophobicContact CD1-CD1 3.97Å; Y348-L381 HydrophobicContact CE1-CD1 3.57Å; F368-L381 HydrophobicContact CB-CB 4.42Å; F368-L381 HydrophobicContact CD1-CB 3.42Å; F368-L381 VanDerWaalsContact CD1-CB 3.42Å; F368-L381 HydrophobicContact CD1-CD1 3.92Å; F368-L381 HydrophobicContact CD1-CG 4.33Å; F368-L381 HydrophobicContact CE1-CB 3.9Å; F368-L381 HydrophobicContact CE1-CD1 3.57Å; F368-L381 HydrophobicContact CE1-CG 4.42Å; F368-L381 HydrophobicContact CG-CB 4.06Å; F368-L381 HydrophobicContact CZ-CD1 3.97Å; F368-L381 PolarHBondContact O-N 2.99Å; Q370-L381 HydrophobicContact CB-CD1 3.72Å; Q370-L381 HydrophobicContact CB-CG 4.29Å; L381-P383 VanDerWaalsContact O-N 3.14Å; L381-Y420 HydrophobicContact CD1-CE1 4.23Å
382	P	95.5	Very high	94.4	Very high	44 Å²	44	40 Å²	40	29%	0.286	25%	0.246	S	C	.	.	S	Bend	trans	-50.8	124.6	175.4	-27.6	34.3	0	0	0	110.8	F368 Y420 I425 W427	F368-P382 WeakPolarHBondContact CD1-O 3.03Å; P382-Y420 HydrophobicContact CG-CE2 4.35Å; P382-I425 HydrophobicContact CG-CG2 3.55Å; P382-W427 PolarHBondContact O-NE1 2.86Å
383	P	96	Very high	94.7	Very high	38 Å²	38	38.1 Å²	38.1	25%	0.247	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-65.7	153.3	-171.6	27.6	-36.2	0	0	0	111.1	Y354 Q365 S366 L381 P385 W427	Y354-P383 HydrophobicContact CD1-CB 4.12Å; Y354-P383 HydrophobicContact CD1-CG 4.17Å; Y354-P383 HydrophobicContact CE1-CG 4.16Å; Y354-P383 HydrophobicContact CG-CB 4.45Å; Q365-P383 HydrophobicContact CB-CB 4.04Å; S366-P383 WeakPolarHBondContact O-CB 3.23Å; L381-P383 VanDerWaalsContact O-N 3.14Å; P383-P385 WeakPolarHBondContact O-CD 3.46Å; P383-W427 VanDerWaalsContact O-CD1 3.28Å; P383-W427 PolarHBondContact O-NE1 3.3Å
384	L	96.8	Very high	95.2	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-64.2	122.8	176.4	179.9	72.7	0	0	0	108.7	V350 Q365 S366 S386 R388 V402 L418 W427	V350-L384 HydrophobicContact CG1-CB 4.34Å; V350-L384 HydrophobicContact CG1-CD2 3.88Å; Q365-L384 VanDerWaalsContact CA-O 3.3Å; Q365-L384 WeakPolarHBondContact CA-O 3.49Å; Q365-L384 WeakPolarHBondContact CB-O 3.35Å; S366-L384 PolarHBondContact N-O 3.2Å; S366-L384 VanDerWaalsContact N-O 3.14Å; S366-L384 PolarHBondContact O-N 2.93Å; L384-S386 VanDerWaalsContact CD2-O 3.28Å; L384-S386 WeakPolarHBondContact CD2-O 3.42Å; L384-S386 PolarHBondContact O-N 2.8Å; L384-R388 HydrophobicContact CD2-CG 3.81Å; L384-V402 HydrophobicContact CD1-CB 4.05Å; L384-V402 HydrophobicContact CD1-CG1 4.33Å; L384-V402 HydrophobicContact CD1-CG2 3.79Å; L384-V402 HydrophobicContact CD2-CB 4.48Å; L384-V402 HydrophobicContact CD2-CG1 3.9Å; L384-V402 HydrophobicContact CD2-CG2 4.34Å; L384-L418 HydrophobicContact CD1-CB 3.98Å; L384-L418 HydrophobicContact CD1-CD1 3.48Å; L384-L418 VanDerWaalsContact CD1-CD1 3.48Å; L384-L418 HydrophobicContact CD1-CG 4.38Å; L384-L418 HydrophobicContact CG-CD1 4.03Å; L384-W427 HydrophobicContact CB-CZ2 4.34Å; L384-W427 HydrophobicContact CD1-CD2 4.04Å; L384-W427 HydrophobicContact CD1-CE3 3.79Å; L384-W427 HydrophobicContact CD1-CH2 3.65Å; L384-W427 HydrophobicContact CD1-CZ2 3.88Å; L384-W427 HydrophobicContact CD1-CZ3 3.6Å
385	P	94.6	Very high	95.8	Very high	64 Å²	64	34 Å²	34	42%	0.416	21%	0.214	S	C	.	.	S	Bend	trans	-75.3	37	-175.9	32.9	-38.8	0	0	0	113.4	P383 L418 W427	P383-P385 WeakPolarHBondContact O-CD 3.46Å; P385-L418 HydrophobicContact CG-CD1 4.25Å; P385-L418 HydrophobicContact CG-CD2 4.39Å; P385-W427 HydrophobicContact CG-CB 3.88Å; P385-W427 HydrophobicContact CG-CG 4.24Å
386	S	93.7	Very high	96.2	Very high	19 Å²	19	31.4 Å²	31.4	13%	0.133	19%	0.192	C	C	.	.	S	Bend	trans	-164.2	111.9	175.5	172.8	0	0	0	0	108.5	L384 R388	L384-S386 VanDerWaalsContact CD2-O 3.28Å; L384-S386 WeakPolarHBondContact CD2-O 3.42Å; L384-S386 PolarHBondContact O-N 2.8Å; S386-R388 PolarHBondContact O-N 3.44Å; S386-R388 VanDerWaalsContact OG-CZ 3.31Å; S386-R388 PolarHBondContact OG-NE 3.42Å; S386-R388 PolarHBondContact OG-NH2 2.97Å
387	A	94.6	Very high	96.2	Very high	3 Å²	3	34.5 Å²	34.5	3%	0.025	20%	0.203	C	C	.	.			trans	-66.9	110.5	170.6	0	0	0	0	0	110.7	L353 F364 S366 L408	L353-A387 HydrophobicContact CD1-CB 3.65Å; F364-A387 HydrophobicContact CB-CB 3.55Å; F364-A387 WeakPolarHBondContact O-CB 3.23Å; F364-A387 PolarHBondContact O-N 2.79Å; S366-A387 WeakPolarHBondContact OG-CA 3.46Å; A387-L408 HydrophobicContact CB-CB 4.15Å; A387-L408 HydrophobicContact CB-CD1 4.14Å; A387-L408 PolarHBondContact O-N 2.91Å
388	R	96.1	Very high	96.1	Very high	5 Å²	5	29.8 Å²	29.8	2%	0.019	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	161.3	-176.5	59.4	177.8	72.5	-172.1	4.3	112.6	S366 L384 S386 F391 A404 K406 L414 S416	S366-R388 PolarHBondContact OG-N 2.83Å; L384-R388 HydrophobicContact CD2-CG 3.81Å; S386-R388 PolarHBondContact O-N 3.44Å; S386-R388 VanDerWaalsContact OG-CZ 3.31Å; S386-R388 PolarHBondContact OG-NE 3.42Å; S386-R388 PolarHBondContact OG-NH2 2.97Å; R388-F391 HydrophobicContact CB-CD1 4.25Å; R388-F391 HydrophobicContact CG-CD1 3.57Å; R388-F391 HydrophobicContact CG-CE1 4.02Å; R388-F391 HydrophobicContact CG-CG 4.28Å; R388-F391 VanDerWaalsContact O-CE1 3.26Å; R388-F391 WeakPolarHBondContact O-CE1 3.26Å; R388-A404 WeakPolarHBondContact CD-O 3.27Å; R388-A404 PolarHBondContact NH1-O 2.86Å; R388-K406 CarbonylContact C-O 3.58Å; R388-K406 WeakPolarHBondContact CA-O 2.96Å; R388-K406 WeakPolarHBondContact CB-O 3.36Å; R388-L414 HydrophobicContact CB-CD1 4.11Å; R388-S416 PolarHBondContact NH1-O 3.07Å; R388-S416 PolarHBondContact NH1-OG 3.16Å; R388-S416 PolarHBondContact NH2-OG 2.84Å
389	C	96.9	Very high	96.1	Very high	32 Å²	32	32.2 Å²	32.2	22%	0.216	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	171.5	172.6	67.8	0	0	0	0	110.9	F391 G405 K406 L408	C389-F391 PolarHBondContact O-N 2.83Å; C389-G405 CarbonylContact O-C 3.6Å; C389-G405 WeakPolarHBondContact O-CA 3.46Å; C389-K406 PolarHBondContact N-O 2.82Å; C389-K406 PolarHBondContact O-N 2.77Å; C389-L408 HydrophobicContact CB-CD2 3.89Å; C389-L408 HydrophobicContact CB-CG 4.44Å
390	L	97.4	Very high	96.2	Very high	68 Å²	68	28.9 Å²	28.9	36%	0.356	17%	0.172	S	C	.	.	S	Bend	trans	53.4	30	177.2	-53.2	177.9	0	0	0	113.5	Y438 G439 M487	L390-Y438 HydrophobicContact CB-CD2 4.38Å; L390-Y438 HydrophobicContact CD1-CD2 3.72Å; L390-Y438 HydrophobicContact CD1-CE2 4.27Å; L390-G439 PolarHBondContact O-N 2.91Å; L390-M487 HydrophobicContact CD2-CE 3.76Å; L390-M487 HydrophobicContact CD2-SD 3.95Å
391	F	98.4	Very high	96.3	Very high	12 Å²	12	26 Å²	26	5%	0.053	15%	0.146	C	C	.	.			trans	-89.7	167	175.4	54.3	-95.9	0	0	0	110.4	V350 R388 C389 L393 V402 I403 A404	V350-F391 HydrophobicContact CB-CE2 4.02Å; V350-F391 HydrophobicContact CB-CZ 3.97Å; V350-F391 HydrophobicContact CG1-CE2 3.97Å; V350-F391 HydrophobicContact CG1-CZ 3.66Å; V350-F391 WeakPolarHBondContact O-CZ 3.3Å; R388-F391 HydrophobicContact CB-CD1 4.25Å; R388-F391 HydrophobicContact CG-CD1 3.57Å; R388-F391 HydrophobicContact CG-CE1 4.02Å; R388-F391 HydrophobicContact CG-CG 4.28Å; R388-F391 VanDerWaalsContact O-CE1 3.26Å; R388-F391 WeakPolarHBondContact O-CE1 3.26Å; C389-F391 PolarHBondContact O-N 2.83Å; F391-L393 HydrophobicContact CD2-CD2 4.17Å; F391-L393 HydrophobicContact CD2-CG 4.36Å; F391-L393 HydrophobicContact CE2-CD2 3.85Å; F391-L393 HydrophobicContact CE2-CG 4.04Å; F391-V402 HydrophobicContact CB-CG1 4.15Å; F391-V402 HydrophobicContact CD2-CG1 3.65Å; F391-V402 HydrophobicContact CE2-CG1 4.17Å; F391-V402 HydrophobicContact CG-CG1 3.88Å; F391-I403 WeakPolarHBondContact CB-O 3.33Å; F391-A404 WeakPolarHBondContact CB-O 3.26Å
392	G	98.4	Very high	96.4	Very high	4 Å²	4	24.5 Å²	24.5	4%	0.041	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	147.6	172.1	0	0	0	0	0	112.4	I403 H440 T442	G392-I403 PolarHBondContact N-O 2.82Å; G392-I403 PolarHBondContact O-N 2.84Å; G392-H440 PolarHBondContact N-CE1 2.85Å; G392-H440 PolarHBondContact N-NE2 3.08Å; G392-T442 WeakPolarHBondContact CA-OG1 3.26Å
393	L	98.4	Very high	96.6	Very high	16 Å²	16	22.5 Å²	22.5	8%	0.084	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	133.8	168.7	-69.5	-177.9	0	0	0	111.1	S338 I340 V350 F391 I400 Y401 V402 T442	S338-L393 VanDerWaalsContact C-CD1 3.47Å; S338-L393 WeakPolarHBondContact O-CD1 3.46Å; I340-L393 HydrophobicContact CB-CB 4.16Å; I340-L393 HydrophobicContact CB-CD1 4.18Å; I340-L393 HydrophobicContact CD1-CB 4.18Å; I340-L393 HydrophobicContact CG2-CB 4.42Å; I340-L393 HydrophobicContact CG2-CD1 4.06Å; V350-L393 HydrophobicContact CB-CD1 4.5Å; V350-L393 HydrophobicContact CB-CD2 4.25Å; V350-L393 HydrophobicContact CG2-CD1 4.44Å; V350-L393 HydrophobicContact CG2-CD2 3.97Å; F391-L393 HydrophobicContact CD2-CD2 4.17Å; F391-L393 HydrophobicContact CD2-CG 4.36Å; F391-L393 HydrophobicContact CE2-CD2 3.85Å; F391-L393 HydrophobicContact CE2-CG 4.04Å; L393-I400 HydrophobicContact CD2-CG2 4.4Å; L393-Y401 CarbonylContact C-O 3.49Å; L393-Y401 WeakPolarHBondContact CA-O 3.48Å; L393-V402 HydrophobicContact CD2-CB 4.45Å; L393-V402 HydrophobicContact CD2-CG2 3.66Å; L393-T442 WeakPolarHBondContact O-CB 3.36Å; L393-T442 WeakPolarHBondContact O-CG2 3.35Å
394	G	97.9	Very high	96.7	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	159.9	173.1	0	0	0	0	0	112.3	I400 Y401 S444	G394-I400 CarbonylContact O-C 3.59Å; G394-Y401 PolarHBondContact N-O 2.76Å; G394-Y401 PolarHBondContact O-N 2.93Å; G394-S444 WeakPolarHBondContact CA-OG 3.19Å
395	E	97.3	Very high	96.7	Very high	9 Å²	9	20.7 Å²	20.7	4%	0.042	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	134.8	175.8	-178	-84.3	141.5	0	0	109.6	I340 T342 D397 N398 K399 I400 S444	I340-E395 HydrophobicContact CD1-CB 3.78Å; T342-E395 HydrophobicContact CG2-CG 4.03Å; E395-D397 PolarHBondContact OE1-N 3.15Å; E395-N398 WeakPolarHBondContact OE1-CA 3.14Å; E395-N398 PolarHBondContact OE1-N 3.36Å; E395-K399 WeakPolarHBondContact CA-O 3.32Å; E395-I400 HydrophobicContact CB-CD1 4.47Å; E395-I400 HydrophobicContact CG-CD1 4.38Å; E395-S444 PolarHBondContact N-OG 3.04Å; E395-S444 VanDerWaalsContact O-CB 3.25Å; E395-S444 WeakPolarHBondContact O-CB 3.35Å; E395-S444 PolarHBondContact O-OG 3.13Å
396	S	96.2	Very high	96.8	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.007	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	134	164.8	-179	0	0	0	0	110	N398 K399 G447 S470	S396-N398 PolarHBondContact O-N 3.24Å; S396-K399 PolarHBondContact N-O 2.87Å; S396-K399 VanDerWaalsContact N-O 3.09Å; S396-K399 PolarHBondContact O-N 3.47Å; S396-G447 PolarHBondContact OG-O 3.31Å; S396-S470 WeakPolarHBondContact OG-CB 3.42Å; S396-S470 PolarHBondContact OG-OG 2.98Å
397	D	91.6	Very high	96.8	Very high	90 Å²	90	20.1 Å²	20.1	48%	0.481	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	42.6	178.3	-54	-60.8	0	0	0	111.9	E395 K399 S470	E395-D397 PolarHBondContact OE1-N 3.15Å; D397-K399 PolarHBondContact O-N 2.99Å; D397-S470 PolarHBondContact OD2-OG 2.86Å; D397-S470 VanDerWaalsContact OD2-OG 3.13Å
398	N	91.8	Very high	96.7	Very high	28 Å²	28	22.8 Å²	22.8	15%	0.15	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.7	14.4	-177.8	-149.9	55.5	0	0	0	115.2	Q344 Q346 E395 S396 P422	Q344-N398 PolarHBondContact OE1-OD1 2.94Å; Q346-N398 PolarHBondContact OE1-OD1 3.5Å; E395-N398 WeakPolarHBondContact OE1-CA 3.14Å; E395-N398 PolarHBondContact OE1-N 3.36Å; S396-N398 PolarHBondContact O-N 3.24Å; N398-P422 WeakPolarHBondContact O-CD 3.21Å; N398-P422 WeakPolarHBondContact O-CG 3.44Å
399	K	96.9	Very high	96.3	Very high	69 Å²	69	30.7 Å²	30.7	30%	0.3	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	143.4	172.2	-57.2	-165.3	-171.2	-161.5	0	110.4	E395 S396 D397 Y401 Y420 D421	E395-K399 WeakPolarHBondContact CA-O 3.32Å; S396-K399 PolarHBondContact N-O 2.87Å; S396-K399 VanDerWaalsContact N-O 3.09Å; S396-K399 PolarHBondContact O-N 3.47Å; D397-K399 PolarHBondContact O-N 2.99Å; K399-Y401 HydrophobicContact CB-CE2 3.86Å; K399-Y401 WeakPolarHBondContact O-CD2 3.34Å; K399-Y401 WeakPolarHBondContact O-CE2 3.33Å; K399-Y420 WeakPolarHBondContact CA-O 3.43Å; K399-Y420 WeakPolarHBondContact CB-O 3.48Å; K399-D421 HydrophobicContact CD-CB 4.38Å; K399-D421 WeakPolarHBondContact CE-OD2 3.33Å; K399-D421 IonicContact NZ-OD2 2.62Å; K399-D421 PolarHBondContact NZ-OD2 3.03Å
400	I	98.4	Very high	96	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	137	178.5	-52.9	-56.2	0	0	0	109.2	I340 T342 Y348 F368 L393 G394 E395 C419 Y420	I340-I400 HydrophobicContact CG2-CD1 4.07Å; I340-I400 HydrophobicContact CG2-CG2 4.36Å; T342-I400 HydrophobicContact CG2-CD1 3.74Å; Y348-I400 HydrophobicContact CD1-CG1 4.45Å; Y348-I400 HydrophobicContact CD2-CD1 3.72Å; Y348-I400 HydrophobicContact CD2-CG1 4.02Å; Y348-I400 HydrophobicContact CE2-CD1 4.08Å; Y348-I400 HydrophobicContact CE2-CG1 4.26Å; Y348-I400 HydrophobicContact CG-CD1 4.22Å; Y348-I400 HydrophobicContact CG-CG1 4.11Å; F368-I400 HydrophobicContact CZ-CG1 4.42Å; L393-I400 HydrophobicContact CD2-CG2 4.4Å; G394-I400 CarbonylContact O-C 3.59Å; E395-I400 HydrophobicContact CB-CD1 4.47Å; E395-I400 HydrophobicContact CG-CD1 4.38Å; I400-C419 CarbonylContact O-C 3.59Å; I400-C419 VanDerWaalsContact O-CA 3.26Å; I400-C419 WeakPolarHBondContact O-CA 3.32Å; I400-Y420 PolarHBondContact N-O 3.29Å; I400-Y420 PolarHBondContact O-N 2.89Å
401	Y	98.6	Very high	95.7	Very high	13 Å²	13	34.2 Å²	34.2	5%	0.051	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	125	179.7	-64.6	-102	0	0	0	109.5	L393 G394 K399 V417 L418 C419 I430 I449 Y468	L393-Y401 CarbonylContact C-O 3.49Å; L393-Y401 WeakPolarHBondContact CA-O 3.48Å; G394-Y401 PolarHBondContact N-O 2.76Å; G394-Y401 PolarHBondContact O-N 2.93Å; K399-Y401 HydrophobicContact CB-CE2 3.86Å; K399-Y401 WeakPolarHBondContact O-CD2 3.34Å; K399-Y401 WeakPolarHBondContact O-CE2 3.33Å; Y401-V417 HydrophobicContact CD1-CG1 4.32Å; Y401-L418 CarbonylContact C-O 3.55Å; Y401-L418 VanDerWaalsContact CA-O 3.3Å; Y401-L418 WeakPolarHBondContact CA-O 3.23Å; Y401-C419 HydrophobicContact CD1-CB 3.92Å; Y401-C419 HydrophobicContact CE1-CB 3.83Å; Y401-I430 HydrophobicContact CD1-CD1 3.82Å; Y401-I430 HydrophobicContact CD1-CG1 4.41Å; Y401-I430 HydrophobicContact CE1-CD1 3.78Å; Y401-I430 HydrophobicContact CE1-CG1 4.46Å; Y401-I449 HydrophobicContact CD1-CD1 4.17Å; Y401-I449 HydrophobicContact CD2-CD1 3.28Å; Y401-I449 HydrophobicContact CE2-CD1 3.76Å; Y401-I449 HydrophobicContact CG-CD1 3.51Å; Y401-Y468 HydrophobicContact CD1-CE1 4.4Å; Y401-Y468 HydrophobicContact CE1-CD1 4.47Å; Y401-Y468 AromaticContact CE1-CE1 3.79Å; Y401-Y468 HydrophobicContact CE1-CE1 3.79Å
402	V	98.8	Very high	95.5	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	113.9	171.3	-179.7	0	0	0	0	107.7	V350 L384 F391 L393 V417 L418 W427	V350-V402 HydrophobicContact CG1-CG2 4.29Å; V350-V402 HydrophobicContact CG2-CG2 4.26Å; L384-V402 HydrophobicContact CD1-CB 4.05Å; L384-V402 HydrophobicContact CD1-CG1 4.33Å; L384-V402 HydrophobicContact CD1-CG2 3.79Å; L384-V402 HydrophobicContact CD2-CB 4.48Å; L384-V402 HydrophobicContact CD2-CG1 3.9Å; L384-V402 HydrophobicContact CD2-CG2 4.34Å; F391-V402 HydrophobicContact CB-CG1 4.15Å; F391-V402 HydrophobicContact CD2-CG1 3.65Å; F391-V402 HydrophobicContact CE2-CG1 4.17Å; F391-V402 HydrophobicContact CG-CG1 3.88Å; L393-V402 HydrophobicContact CD2-CB 4.45Å; L393-V402 HydrophobicContact CD2-CG2 3.66Å; V402-V417 WeakPolarHBondContact O-CA 3.43Å; V402-L418 HydrophobicContact CB-CB 4.44Å; V402-L418 PolarHBondContact N-O 3.1Å; V402-L418 PolarHBondContact O-N 2.88Å; V402-W427 HydrophobicContact CG2-CH2 3.66Å; V402-W427 HydrophobicContact CG2-CZ3 3.8Å
403	I	98.7	Very high	95.5	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	123.4	-169.7	-65.9	155.9	0	0	0	109.6	F391 G392 V417 L433 H440 T442 I449 W475	F391-I403 WeakPolarHBondContact CB-O 3.33Å; G392-I403 PolarHBondContact N-O 2.82Å; G392-I403 PolarHBondContact O-N 2.84Å; I403-V417 HydrophobicContact CB-CG2 4.48Å; I403-V417 HydrophobicContact CG1-CG1 3.64Å; I403-V417 HydrophobicContact CG1-CG2 4.23Å; I403-V417 HydrophobicContact CG2-CG2 4.2Å; I403-L433 HydrophobicContact CG2-CD2 4.28Å; I403-H440 PolarHBondContact O-CE1 2.94Å; I403-H440 PolarHBondContact O-NE2 2.88Å; I403-T442 HydrophobicContact CD1-CG2 3.8Å; I403-I449 HydrophobicContact CD1-CG2 3.57Å; I403-W475 HydrophobicContact CD1-CH2 3.95Å; I403-W475 HydrophobicContact CD1-CZ2 4.43Å; I403-W475 HydrophobicContact CG1-CH2 4.35Å; I403-W475 HydrophobicContact CG1-CZ2 4.42Å; I403-W475 HydrophobicContact CG2-CH2 4.28Å; I403-W475 HydrophobicContact CG2-CZ2 4.47Å
404	A	98.4	Very high	95.4	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	53.8	-140.1	170.6	0	0	0	0	0	112.2	R388 F391 L414 S416 L433 I437	R388-A404 WeakPolarHBondContact CD-O 3.27Å; R388-A404 PolarHBondContact NH1-O 2.86Å; F391-A404 WeakPolarHBondContact CB-O 3.26Å; A404-L414 WeakPolarHBondContact CA-O 3.47Å; A404-L414 WeakPolarHBondContact CB-O 3.27Å; A404-S416 PolarHBondContact N-O 3.4Å; A404-L433 HydrophobicContact CB-CD2 4.2Å; A404-I437 HydrophobicContact CB-CG1 3.81Å; A404-I437 WeakPolarHBondContact CB-O 3.4Å
405	G	97.9	Very high	95.4	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	103	-166.4	-177.5	0	0	0	0	0	112.9	C389 S413 L414 I437	C389-G405 CarbonylContact O-C 3.6Å; C389-G405 WeakPolarHBondContact O-CA 3.46Å; G405-S413 CarbonylContact O-C 3.55Å; G405-S413 WeakPolarHBondContact O-CA 3.45Å; G405-L414 WeakPolarHBondContact O-CB 3.4Å; G405-L414 PolarHBondContact O-N 3.27Å; G405-I437 WeakPolarHBondContact CA-O 3.38Å; G405-I437 PolarHBondContact N-O 3.43Å
406	K	95.9	Very high	95.5	Very high	47 Å²	47	41.8 Å²	41.8	20%	0.204	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	128.2	179.4	-160.5	-179.9	-170.1	-166.2	0	109.6	R388 C389 L408 E411 E412 Y438	R388-K406 CarbonylContact C-O 3.58Å; R388-K406 WeakPolarHBondContact CA-O 2.96Å; R388-K406 WeakPolarHBondContact CB-O 3.36Å; C389-K406 PolarHBondContact N-O 2.82Å; C389-K406 PolarHBondContact O-N 2.77Å; K406-L408 PolarHBondContact O-N 2.81Å; K406-E411 WeakPolarHBondContact CE-O 3.4Å; K406-E411 WeakPolarHBondContact CE-OE2 3.22Å; K406-E411 IonicContact NZ-OE2 2.98Å; K406-E411 PolarHBondContact NZ-OE2 2.79Å; K406-E412 WeakPolarHBondContact CA-O 3.42Å; K406-Y438 HydrophobicContact CB-CG 4.47Å
407	D	94.8	Very high	95.6	Very high	24 Å²	24	41.7 Å²	41.7	13%	0.128	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	128.9	176.6	-178	-87.6	0	0	0	110	R409 T410 E411 E412 L414	D407-R409 PolarHBondContact O-N 3.33Å; D407-R409 WeakPolarHBondContact OD1-CB 3.31Å; D407-R409 PolarHBondContact OD1-N 2.75Å; D407-T410 VanDerWaalsContact CB-OG1 3.26Å; D407-T410 WeakPolarHBondContact CB-OG1 3.39Å; D407-T410 VanDerWaalsContact CG-OG1 3.24Å; D407-T410 PolarHBondContact OD1-N 3.16Å; D407-T410 PolarHBondContact OD1-OG1 3.27Å; D407-E411 VanDerWaalsContact O-CA 3.27Å; D407-E411 WeakPolarHBondContact O-CA 3.24Å; D407-E411 PolarHBondContact O-N 2.92Å; D407-E412 PolarHBondContact N-O 2.91Å; D407-L414 HydrophobicContact CB-CD1 4.18Å; D407-L414 HydrophobicContact CB-CD2 4.2Å; D407-L414 HydrophobicContact CB-CG 4.34Å
408	L	92.1	Very high	96	Very high	60 Å²	60	38.1 Å²	38.1	31%	0.314	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-12.6	-173.5	-78.1	173.2	0	0	0	113.8	L353 A387 C389 K406	L353-L408 HydrophobicContact CD1-CD1 4.33Å; A387-L408 HydrophobicContact CB-CB 4.15Å; A387-L408 HydrophobicContact CB-CD1 4.14Å; A387-L408 PolarHBondContact O-N 2.91Å; C389-L408 HydrophobicContact CB-CD2 3.89Å; C389-L408 HydrophobicContact CB-CG 4.44Å; K406-L408 PolarHBondContact O-N 2.81Å
409	R	87.3	Confident	96.3	Very high	170 Å²	170	37.4 Å²	37.4	64%	0.642	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.4	-49.9	-179	178.5	-178.9	62.7	-179.8	-1.4	111.8	D407	D407-R409 PolarHBondContact O-N 3.33Å; D407-R409 WeakPolarHBondContact OD1-CB 3.31Å; D407-R409 PolarHBondContact OD1-N 2.75Å
410	T	90.6	Very high	96.3	Very high	68 Å²	68	34.3 Å²	34.3	42%	0.417	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-15.4	-174.6	59.6	0	0	0	0	112.4	D407 E412	D407-T410 VanDerWaalsContact CB-OG1 3.26Å; D407-T410 WeakPolarHBondContact CB-OG1 3.39Å; D407-T410 VanDerWaalsContact CG-OG1 3.24Å; D407-T410 PolarHBondContact OD1-N 3.16Å; D407-T410 PolarHBondContact OD1-OG1 3.27Å; T410-E412 PolarHBondContact O-N 3.46Å; T410-E412 VanDerWaalsContact O-N 3.12Å; T410-E412 PolarHBondContact OG1-N 3.39Å
411	E	91	Very high	96.3	Very high	107 Å²	107	35.8 Å²	35.8	50%	0.5	17%	0.173	S	C	.	.			trans	59.2	15.8	-174.1	-61.9	-75.6	151.6	0	0	113	K406 D407	K406-E411 WeakPolarHBondContact CE-O 3.4Å; K406-E411 WeakPolarHBondContact CE-OE2 3.22Å; K406-E411 IonicContact NZ-OE2 2.98Å; K406-E411 PolarHBondContact NZ-OE2 2.79Å; D407-E411 VanDerWaalsContact O-CA 3.27Å; D407-E411 WeakPolarHBondContact O-CA 3.24Å; D407-E411 PolarHBondContact O-N 2.92Å
412	E	94.5	Very high	96	Very high	112 Å²	112	36.7 Å²	36.7	52%	0.523	18%	0.18	S	C	.	.			trans	-81.7	144	176.3	-67.1	-170.6	177.7	0	0	110.8	K406 D407 T410	K406-E412 WeakPolarHBondContact CA-O 3.42Å; D407-E412 PolarHBondContact N-O 2.91Å; T410-E412 PolarHBondContact O-N 3.46Å; T410-E412 VanDerWaalsContact O-N 3.12Å; T410-E412 PolarHBondContact OG1-N 3.39Å
413	S	97.4	Very high	95.7	Very high	7 Å²	7	43.1 Å²	43.1	5%	0.049	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	145	169.5	-19.9	0	0	0	0	110.4	G405 K436 Y438 D457	G405-S413 CarbonylContact O-C 3.55Å; G405-S413 WeakPolarHBondContact O-CA 3.45Å; S413-K436 WeakPolarHBondContact O-CD 3.22Å; S413-Y438 WeakPolarHBondContact OG-CD1 3.46Å; S413-D457 WeakPolarHBondContact CB-OD1 3.43Å; S413-D457 PolarHBondContact OG-OD1 3.14Å
414	L	97.9	Very high	95.5	Very high	26 Å²	26	45.3 Å²	45.3	14%	0.136	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	150.7	-174	-59	174.6	0	0	0	110.4	R388 A404 G405 D407 K436 I437	R388-L414 HydrophobicContact CB-CD1 4.11Å; A404-L414 WeakPolarHBondContact CA-O 3.47Å; A404-L414 WeakPolarHBondContact CB-O 3.27Å; G405-L414 WeakPolarHBondContact O-CB 3.4Å; G405-L414 PolarHBondContact O-N 3.27Å; D407-L414 HydrophobicContact CB-CD1 4.18Å; D407-L414 HydrophobicContact CB-CD2 4.2Å; D407-L414 HydrophobicContact CB-CG 4.34Å; L414-K436 WeakPolarHBondContact O-CA 3.44Å; L414-I437 PolarHBondContact O-N 2.87Å; L414-I437 VanDerWaalsContact O-N 3.13Å
415	D	98.3	Very high	95.4	Very high	39 Å²	39	50.2 Å²	50.2	21%	0.209	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	-4.9	167.1	62.9	-13.6	0	0	0	111.7	K432 L433 K436	D415-K432 CarbonylContact O-C 3.48Å; D415-K432 WeakPolarHBondContact O-CA 3.27Å; D415-K432 WeakPolarHBondContact O-CB 3.44Å; D415-L433 PolarHBondContact O-N 3.29Å; D415-K436 HydrophobicContact CB-CG 3.8Å
416	S	98.4	Very high	95.3	Very high	15 Å²	15	56.4 Å²	56.4	11%	0.105	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	141.6	-179.7	59.1	0	0	0	0	111.3	R388 A404	R388-S416 PolarHBondContact NH1-O 3.07Å; R388-S416 PolarHBondContact NH1-OG 3.16Å; R388-S416 PolarHBondContact NH2-OG 2.84Å; A404-S416 PolarHBondContact N-O 3.4Å
417	V	98.7	Very high	95.4	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	118.9	178.4	-175.2	0	0	0	0	108.5	Y401 V402 I403 I430 L433 W475	Y401-V417 HydrophobicContact CD1-CG1 4.32Å; V402-V417 WeakPolarHBondContact O-CA 3.43Å; I403-V417 HydrophobicContact CB-CG2 4.48Å; I403-V417 HydrophobicContact CG1-CG1 3.64Å; I403-V417 HydrophobicContact CG1-CG2 4.23Å; I403-V417 HydrophobicContact CG2-CG2 4.2Å; V417-I430 HydrophobicContact CB-CD1 4.06Å; V417-I430 HydrophobicContact CB-CG1 3.78Å; V417-I430 HydrophobicContact CG1-CD1 3.59Å; V417-I430 HydrophobicContact CG1-CG1 3.61Å; V417-I430 WeakPolarHBondContact O-CG1 3.48Å; V417-I430 PolarHBondContact O-N 2.94Å; V417-L433 HydrophobicContact CG2-CB 4.4Å; V417-W475 HydrophobicContact CG2-CZ2 4.06Å
418	L	98.6	Very high	95.5	Very high	14 Å²	14	56.3 Å²	56.3	7%	0.073	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	134.9	-179	-65.3	169.2	0	0	0	109.1	L384 P385 Y401 V402 W427 G428 E429	L384-L418 HydrophobicContact CD1-CB 3.98Å; L384-L418 HydrophobicContact CD1-CD1 3.48Å; L384-L418 VanDerWaalsContact CD1-CD1 3.48Å; L384-L418 HydrophobicContact CD1-CG 4.38Å; L384-L418 HydrophobicContact CG-CD1 4.03Å; P385-L418 HydrophobicContact CG-CD1 4.25Å; P385-L418 HydrophobicContact CG-CD2 4.39Å; Y401-L418 CarbonylContact C-O 3.55Å; Y401-L418 VanDerWaalsContact CA-O 3.3Å; Y401-L418 WeakPolarHBondContact CA-O 3.23Å; V402-L418 HydrophobicContact CB-CB 4.44Å; V402-L418 PolarHBondContact N-O 3.1Å; V402-L418 PolarHBondContact O-N 2.88Å; L418-W427 HydrophobicContact CB-CE3 3.92Å; L418-W427 HydrophobicContact CB-CZ3 4.18Å; L418-G428 CarbonylContact C-O 3.54Å; L418-G428 WeakPolarHBondContact CA-O 3.36Å; L418-E429 HydrophobicContact CD2-CB 4.14Å; L418-E429 HydrophobicContact CD2-CG 4.45Å
419	C	98.4	Very high	95.8	Very high	13 Å²	13	59 Å²	59	9%	0.088	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	126.2	-179.8	179.5	0	0	0	0	109.7	I400 Y401 W427 G428 I430	I400-C419 CarbonylContact O-C 3.59Å; I400-C419 VanDerWaalsContact O-CA 3.26Å; I400-C419 WeakPolarHBondContact O-CA 3.32Å; Y401-C419 HydrophobicContact CD1-CB 3.92Å; Y401-C419 HydrophobicContact CE1-CB 3.83Å; C419-W427 CarbonylContact O-C 3.59Å; C419-W427 WeakPolarHBondContact O-CA 3.38Å; C419-G428 PolarHBondContact N-O 2.8Å; C419-G428 PolarHBondContact O-N 2.89Å; C419-I430 HydrophobicContact CB-CG2 3.74Å
420	Y	98.6	Very high	96.3	Very high	4 Å²	4	53 Å²	53	2%	0.016	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	126.4	170.8	179.7	-106.5	0	0	0	110.3	F368 L381 P382 K399 I400 P422 W427	F368-Y420 HydrophobicContact CD1-CD2 4.38Å; F368-Y420 HydrophobicContact CD1-CE2 4.44Å; F368-Y420 AromaticContact CE1-CD1 3.48Å; F368-Y420 HydrophobicContact CE1-CD1 3.48Å; F368-Y420 VanDerWaalsContact CE1-CD1 3.48Å; F368-Y420 AromaticContact CE1-CD2 3.71Å; F368-Y420 HydrophobicContact CE1-CD2 3.71Å; F368-Y420 AromaticContact CE1-CE1 3.62Å; F368-Y420 HydrophobicContact CE1-CE1 3.62Å; F368-Y420 AromaticContact CE1-CE2 3.86Å; F368-Y420 HydrophobicContact CE1-CE2 3.86Å; F368-Y420 AromaticContact CE1-CG 3.51Å; F368-Y420 HydrophobicContact CE1-CG 3.51Å; F368-Y420 AromaticContact CE1-CZ 3.82Å; F368-Y420 AromaticContact CZ-CD1 3.72Å; F368-Y420 HydrophobicContact CZ-CD1 3.72Å; F368-Y420 HydrophobicContact CZ-CE1 4.1Å; F368-Y420 AromaticContact CZ-CG 3.99Å; F368-Y420 HydrophobicContact CZ-CG 3.99Å; L381-Y420 HydrophobicContact CD1-CE1 4.23Å; P382-Y420 HydrophobicContact CG-CE2 4.35Å; K399-Y420 WeakPolarHBondContact CA-O 3.43Å; K399-Y420 WeakPolarHBondContact CB-O 3.48Å; I400-Y420 PolarHBondContact N-O 3.29Å; I400-Y420 PolarHBondContact O-N 2.89Å; Y420-P422 HydrophobicContact CD1-CB 4.41Å; Y420-P422 HydrophobicContact CE1-CB 3.85Å; Y420-W427 HydrophobicContact CD2-CD2 4.1Å; Y420-W427 AromaticContact CD2-CE2 3.84Å; Y420-W427 HydrophobicContact CD2-CG 4.27Å; Y420-W427 HydrophobicContact CD2-CZ2 4.31Å; Y420-W427 AromaticContact CD2-NE1 3.83Å; Y420-W427 HydrophobicContact CG-CD2 4.46Å; Y420-W427 HydrophobicContact CG-CZ2 4.28Å
421	D	96.7	Very high	96.6	Very high	32 Å²	32	56 Å²	56	17%	0.171	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	110.2	172.4	-170	-35.2	0	0	0	109.2	K399 V423 A424 I425 K426	K399-D421 HydrophobicContact CD-CB 4.38Å; K399-D421 WeakPolarHBondContact CE-OD2 3.33Å; K399-D421 IonicContact NZ-OD2 2.62Å; K399-D421 PolarHBondContact NZ-OD2 3.03Å; D421-V423 PolarHBondContact O-N 2.78Å; D421-V423 WeakPolarHBondContact OD1-CB 3.43Å; D421-V423 PolarHBondContact OD1-N 2.95Å; D421-A424 HydrophobicContact CB-CB 4.17Å; D421-A424 PolarHBondContact O-N 2.86Å; D421-A424 PolarHBondContact OD1-N 2.96Å; D421-I425 WeakPolarHBondContact O-CA 3.28Å; D421-I425 PolarHBondContact O-N 2.9Å; D421-K426 PolarHBondContact N-O 2.84Å; D421-K426 PolarHBondContact O-N 2.86Å
422	P	93.8	Very high	97	Very high	31 Å²	31	55.8 Å²	55.8	20%	0.201	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-18.6	-177.8	30	-36.7	0	0	0	113.4	N398 Y420 I425	N398-P422 WeakPolarHBondContact O-CD 3.21Å; N398-P422 WeakPolarHBondContact O-CG 3.44Å; Y420-P422 HydrophobicContact CD1-CB 4.41Å; Y420-P422 HydrophobicContact CE1-CB 3.85Å; P422-I425 WeakPolarHBondContact O-CG1 3.38Å
423	V	92.4	Very high	97.1	Very high	136 Å²	136	50.6 Å²	50.6	82%	0.824	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-43.9	177	-179.9	0	0	0	0	110	D421 I425	D421-V423 PolarHBondContact O-N 2.78Å; D421-V423 WeakPolarHBondContact OD1-CB 3.43Å; D421-V423 PolarHBondContact OD1-N 2.95Å; V423-I425 VanDerWaalsContact C-N 3.33Å
424	A	94.6	Very high	97.1	Very high	46 Å²	46	53.7 Å²	53.7	38%	0.38	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-5.1	178.7	0	0	0	0	0	113.6	D421 K426	D421-A424 HydrophobicContact CB-CB 4.17Å; D421-A424 PolarHBondContact O-N 2.86Å; D421-A424 PolarHBondContact OD1-N 2.96Å; A424-K426 VanDerWaalsContact C-N 3.28Å; A424-K426 HydrophobicContact CB-CD 3.87Å; A424-K426 HydrophobicContact CB-CG 3.8Å; A424-K426 PolarHBondContact O-N 2.89Å
425	I	95.6	Very high	97.1	Very high	104 Å²	104	53.8 Å²	53.8	53%	0.533	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.2	50.5	-179.9	-52.5	175.8	0	0	0	110.4	P382 D421 P422 V423	P382-I425 HydrophobicContact CG-CG2 3.55Å; D421-I425 WeakPolarHBondContact O-CA 3.28Å; D421-I425 PolarHBondContact O-N 2.9Å; P422-I425 WeakPolarHBondContact O-CG1 3.38Å; V423-I425 VanDerWaalsContact C-N 3.33Å
426	K	96	Very high	97.1	Very high	129 Å²	129	55.5 Å²	55.5	56%	0.561	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-150.9	150	-175.3	71.3	-175.5	-177.8	-177.5	0	113.5	D421 A424	D421-K426 PolarHBondContact N-O 2.84Å; D421-K426 PolarHBondContact O-N 2.86Å; A424-K426 VanDerWaalsContact C-N 3.28Å; A424-K426 HydrophobicContact CB-CD 3.87Å; A424-K426 HydrophobicContact CB-CG 3.8Å; A424-K426 PolarHBondContact O-N 2.89Å
427	W	98.1	Very high	97.1	Very high	36 Å²	36	54.9 Å²	54.9	14%	0.136	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	148.3	168	-69.2	98.6	0	0	0	111.4	F368 P382 P383 L384 P385 V402 L418 C419 Y420	F368-W427 HydrophobicContact CB-CZ2 4.46Å; F368-W427 AromaticContact CD1-CZ2 3.54Å; F368-W427 HydrophobicContact CD1-CZ2 3.54Å; F368-W427 AromaticContact CD1-NE1 3.99Å; F368-W427 HydrophobicContact CD2-CZ2 4.23Å; F368-W427 HydrophobicContact CE1-CH2 4.42Å; F368-W427 AromaticContact CE1-CZ2 3.67Å; F368-W427 HydrophobicContact CE1-CZ2 3.67Å; F368-W427 HydrophobicContact CE2-CZ2 4.31Å; F368-W427 AromaticContact CG-CZ2 3.84Å; F368-W427 HydrophobicContact CG-CZ2 3.84Å; F368-W427 HydrophobicContact CZ-CH2 4.42Å; F368-W427 HydrophobicContact CZ-CZ2 4.05Å; P382-W427 PolarHBondContact O-NE1 2.86Å; P383-W427 VanDerWaalsContact O-CD1 3.28Å; P383-W427 PolarHBondContact O-NE1 3.3Å; L384-W427 HydrophobicContact CB-CZ2 4.34Å; L384-W427 HydrophobicContact CD1-CD2 4.04Å; L384-W427 HydrophobicContact CD1-CE3 3.79Å; L384-W427 HydrophobicContact CD1-CH2 3.65Å; L384-W427 HydrophobicContact CD1-CZ2 3.88Å; L384-W427 HydrophobicContact CD1-CZ3 3.6Å; P385-W427 HydrophobicContact CG-CB 3.88Å; P385-W427 HydrophobicContact CG-CG 4.24Å; V402-W427 HydrophobicContact CG2-CH2 3.66Å; V402-W427 HydrophobicContact CG2-CZ3 3.8Å; L418-W427 HydrophobicContact CB-CE3 3.92Å; L418-W427 HydrophobicContact CB-CZ3 4.18Å; C419-W427 CarbonylContact O-C 3.59Å; C419-W427 WeakPolarHBondContact O-CA 3.38Å; Y420-W427 HydrophobicContact CD2-CD2 4.1Å; Y420-W427 AromaticContact CD2-CE2 3.84Å; Y420-W427 HydrophobicContact CD2-CG 4.27Å; Y420-W427 HydrophobicContact CD2-CZ2 4.31Å; Y420-W427 AromaticContact CD2-NE1 3.83Å; Y420-W427 HydrophobicContact CG-CD2 4.46Å; Y420-W427 HydrophobicContact CG-CZ2 4.28Å
428	G	97.3	Very high	97.1	Very high	34 Å²	34	56.6 Å²	56.6	35%	0.351	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	149.7	168.7	0	0	0	0	0	111.4	L418 C419	L418-G428 CarbonylContact C-O 3.54Å; L418-G428 WeakPolarHBondContact CA-O 3.36Å; C419-G428 PolarHBondContact N-O 2.8Å; C419-G428 PolarHBondContact O-N 2.89Å
429	E	97.6	Very high	97.1	Very high	115 Å²	115	56.2 Å²	56.2	54%	0.537	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	136.8	172.9	-167.2	175	-179.9	0	0	110.2	L418 K432	L418-E429 HydrophobicContact CD2-CB 4.14Å; L418-E429 HydrophobicContact CD2-CG 4.45Å; E429-K432 WeakPolarHBondContact OE1-CE 3.29Å
430	I	97.3	Very high	97.1	Very high	44 Å²	44	56.2 Å²	56.2	23%	0.226	29%	0.294	C	S	.	.			trans	-118.3	-167.1	178.4	63.9	133.8	0	0	0	110.7	Y401 V417 C419 K432 Y468	Y401-I430 HydrophobicContact CD1-CD1 3.82Å; Y401-I430 HydrophobicContact CD1-CG1 4.41Å; Y401-I430 HydrophobicContact CE1-CD1 3.78Å; Y401-I430 HydrophobicContact CE1-CG1 4.46Å; V417-I430 HydrophobicContact CB-CD1 4.06Å; V417-I430 HydrophobicContact CB-CG1 3.78Å; V417-I430 HydrophobicContact CG1-CD1 3.59Å; V417-I430 HydrophobicContact CG1-CG1 3.61Å; V417-I430 WeakPolarHBondContact O-CG1 3.48Å; V417-I430 PolarHBondContact O-N 2.94Å; C419-I430 HydrophobicContact CB-CG2 3.74Å; I430-K432 PolarHBondContact O-N 2.8Å; I430-K432 VanDerWaalsContact O-N 3.1Å; I430-Y468 HydrophobicContact CD1-CD1 4.49Å; I430-Y468 HydrophobicContact CD1-CE1 3.7Å; I430-Y468 HydrophobicContact CD1-CE2 3.92Å; I430-Y468 VanDerWaalsContact CD1-OH 3.31Å; I430-Y468 WeakPolarHBondContact CD1-OH 3.38Å
431	K	97.9	Very high	97.1	Very high	132 Å²	132	56.4 Å²	56.4	57%	0.574	30%	0.297	S	S	*	.	P	Polyproline II helix	trans	-57.1	118.4	179.2	-172.1	69.2	177	-178	0	110.9	Y468 G473 W475	K431-Y468 HydrophobicContact CB-CE2 4.27Å; K431-G473 WeakPolarHBondContact CB-O 3.43Å; K431-W475 PolarHBondContact O-NE1 2.87Å
432	K	98.5	Very high	97.1	Very high	103 Å²	103	55.7 Å²	55.7	45%	0.448	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-57.2	148.4	175	-60.6	-171.4	175.8	-167.1	0	112.1	D415 E429 I430 W475	D415-K432 CarbonylContact O-C 3.48Å; D415-K432 WeakPolarHBondContact O-CA 3.27Å; D415-K432 WeakPolarHBondContact O-CB 3.44Å; E429-K432 WeakPolarHBondContact OE1-CE 3.29Å; I430-K432 PolarHBondContact O-N 2.8Å; I430-K432 VanDerWaalsContact O-N 3.1Å; K432-W475 VanDerWaalsContact O-CD1 3.28Å
433	L	98	Very high	97.3	Very high	3 Å²	3	55.9 Å²	55.9	2%	0.016	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-65.2	146.8	171.5	-169.6	68.4	0	0	0	109.7	I403 A404 D415 V417 I435 I437 C451 F466 W475	I403-L433 HydrophobicContact CG2-CD2 4.28Å; A404-L433 HydrophobicContact CB-CD2 4.2Å; D415-L433 PolarHBondContact O-N 3.29Å; V417-L433 HydrophobicContact CG2-CB 4.4Å; L433-I435 HydrophobicContact CD2-CG1 4.28Å; L433-I435 WeakPolarHBondContact CD2-O 3.4Å; L433-I435 HydrophobicContact CG-CG1 4.47Å; L433-I435 PolarHBondContact O-N 3.27Å; L433-I435 VanDerWaalsContact O-N 3.09Å; L433-I437 HydrophobicContact CD2-CD1 3.34Å; L433-I437 HydrophobicContact CD2-CG1 3.59Å; L433-C451 HydrophobicContact CD1-CB 4.38Å; L433-F466 HydrophobicContact CD1-CB 4.1Å; L433-F466 HydrophobicContact CD1-CD2 4.06Å; L433-F466 HydrophobicContact CD1-CG 4.05Å; L433-W475 HydrophobicContact CD1-CD2 3.77Å; L433-W475 HydrophobicContact CD1-CE3 3.68Å; L433-W475 HydrophobicContact CD1-CH2 3.76Å; L433-W475 HydrophobicContact CD1-CZ2 3.86Å; L433-W475 HydrophobicContact CD1-CZ3 3.67Å
434	P	97	Very high	97.6	Very high	72 Å²	72	50.7 Å²	50.7	47%	0.468	26%	0.263	S	S	.	.	S	Bend	trans	-64.8	-12.1	-179.3	-26.4	37.1	0	0	0	115.6	F466 W475	P434-F466 HydrophobicContact CB-CD1 4.5Å; P434-F466 HydrophobicContact CB-CE1 3.87Å; P434-F466 HydrophobicContact CB-CZ 4.37Å; P434-F466 HydrophobicContact CG-CD1 3.9Å; P434-F466 HydrophobicContact CG-CE1 3.76Å; P434-W475 HydrophobicContact CG-CB 4.07Å
435	I	97.3	Very high	97.7	Very high	27 Å²	27	50 Å²	50	14%	0.138	25%	0.252	C	S	.	.	S	Bend	trans	-139.8	150.4	-178.9	58.5	170	0	0	0	110.5	L433 I437 T456 T462 F466	L433-I435 HydrophobicContact CD2-CG1 4.28Å; L433-I435 WeakPolarHBondContact CD2-O 3.4Å; L433-I435 HydrophobicContact CG-CG1 4.47Å; L433-I435 PolarHBondContact O-N 3.27Å; L433-I435 VanDerWaalsContact O-N 3.09Å; I435-I437 HydrophobicContact CB-CG2 4.36Å; I435-I437 HydrophobicContact CD1-CD1 4.48Å; I435-I437 HydrophobicContact CD1-CG2 3.33Å; I435-I437 HydrophobicContact CG1-CD1 4.5Å; I435-I437 HydrophobicContact CG1-CG2 3.66Å; I435-T456 HydrophobicContact CD1-CG2 4.23Å; I435-T462 HydrophobicContact CD1-CG2 4.32Å; I435-F466 HydrophobicContact CD1-CE2 3.46Å; I435-F466 VanDerWaalsContact CD1-CE2 3.46Å; I435-F466 HydrophobicContact CD1-CZ 3.77Å; I435-F466 HydrophobicContact CG1-CE2 3.65Å; I435-F466 HydrophobicContact CG1-CZ 3.77Å; I435-F466 HydrophobicContact CG2-CZ 4.27Å
436	K	98.4	Very high	97.5	Very high	76 Å²	76	51.1 Å²	51.1	33%	0.33	26%	0.259	S	S	.	.			trans	-82	123.5	168.9	-70.4	177.9	164	-159.3	0	109.6	S413 L414 D415 D457	S413-K436 WeakPolarHBondContact O-CD 3.22Å; L414-K436 WeakPolarHBondContact O-CA 3.44Å; D415-K436 HydrophobicContact CB-CG 3.8Å; K436-D457 WeakPolarHBondContact CD-OD2 3.34Å
437	I	98.4	Very high	97.4	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.005	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	156.2	-175.3	56.4	173.6	0	0	0	113.6	A404 G405 L414 L433 I435 H440 C451 K455 T456	A404-I437 HydrophobicContact CB-CG1 3.81Å; A404-I437 WeakPolarHBondContact CB-O 3.4Å; G405-I437 WeakPolarHBondContact CA-O 3.38Å; G405-I437 PolarHBondContact N-O 3.43Å; L414-I437 PolarHBondContact O-N 2.87Å; L414-I437 VanDerWaalsContact O-N 3.13Å; L433-I437 HydrophobicContact CD2-CD1 3.34Å; L433-I437 HydrophobicContact CD2-CG1 3.59Å; I435-I437 HydrophobicContact CB-CG2 4.36Å; I435-I437 HydrophobicContact CD1-CD1 4.48Å; I435-I437 HydrophobicContact CD1-CG2 3.33Å; I435-I437 HydrophobicContact CG1-CD1 4.5Å; I435-I437 HydrophobicContact CG1-CG2 3.66Å; I437-H440 HydrophobicContact CD1-CB 3.77Å; I437-C451 VanDerWaalsContact CD1-SG 3.54Å; I437-K455 VanDerWaalsContact CA-O 3.23Å; I437-K455 WeakPolarHBondContact CA-O 3.36Å; I437-T456 HydrophobicContact CG2-CG2 3.76Å
438	Y	98.4	Very high	97.3	Very high	37 Å²	37	46 Å²	46	15%	0.145	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	161.5	169.8	69.2	-87.9	0	0	0	111.1	L390 K406 S413 H440 G454 K455	L390-Y438 HydrophobicContact CB-CD2 4.38Å; L390-Y438 HydrophobicContact CD1-CD2 3.72Å; L390-Y438 HydrophobicContact CD1-CE2 4.27Å; K406-Y438 HydrophobicContact CB-CG 4.47Å; S413-Y438 WeakPolarHBondContact OG-CD1 3.46Å; Y438-H440 PolarHBondContact O-N 3.21Å; Y438-G454 CarbonylContact O-C 3.55Å; Y438-G454 WeakPolarHBondContact O-CA 2.88Å; Y438-K455 HydrophobicContact CD1-CB 4.26Å; Y438-K455 HydrophobicContact CD2-CB 4.5Å; Y438-K455 HydrophobicContact CE1-CB 3.72Å; Y438-K455 HydrophobicContact CE2-CB 4Å; Y438-K455 HydrophobicContact CE2-CD 4.04Å; Y438-K455 PolarHBondContact N-O 2.96Å; Y438-K455 PolarHBondContact O-N 3.43Å
439	G	98.1	Very high	97.4	Very high	6 Å²	6	44.4 Å²	44.4	6%	0.062	23%	0.227	C	C	.	.	S	Bend	trans	64.7	22.1	-178.8	0	0	0	0	0	113.5	L390 S486 M487	L390-G439 PolarHBondContact O-N 2.91Å; G439-S486 CarbonylContact O-C 3.45Å; G439-S486 WeakPolarHBondContact O-CA 3.34Å; G439-S486 WeakPolarHBondContact O-CB 3.47Å; G439-M487 PolarHBondContact O-N 2.95Å
440	H	98.7	Very high	97.4	Very high	12 Å²	12	39.7 Å²	39.7	6%	0.056	21%	0.205	C	C	.	.			trans	-84.4	157.4	174.3	63.6	-82.3	0	0	0	109.7	G392 I403 I437 Y438 T442 C451 L452 G453	G392-H440 PolarHBondContact N-CE1 2.85Å; G392-H440 PolarHBondContact N-NE2 3.08Å; I403-H440 PolarHBondContact O-CE1 2.94Å; I403-H440 PolarHBondContact O-NE2 2.88Å; I437-H440 HydrophobicContact CD1-CB 3.77Å; Y438-H440 PolarHBondContact O-N 3.21Å; H440-T442 PolarHBondContact CD2-OG1 3.36Å; H440-C451 PolarHBondContact CD2-SG 3.06Å; H440-L452 WeakPolarHBondContact CA-O 3.37Å; H440-L452 WeakPolarHBondContact CB-O 3.48Å; H440-G453 VanDerWaalsContact CB-O 3.3Å; H440-G453 WeakPolarHBondContact CB-O 3.22Å
441	A	98.3	Very high	97.5	Very high	8 Å²	8	37.7 Å²	37.7	7%	0.066	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	146.5	172	0	0	0	0	0	110	L452 F488 T490	A441-L452 PolarHBondContact N-O 3.02Å; A441-L452 PolarHBondContact O-N 3.26Å; A441-F488 HydrophobicContact CB-CD2 3.96Å; A441-F488 HydrophobicContact CB-CE1 4.21Å; A441-F488 HydrophobicContact CB-CE2 3.34Å; A441-F488 HydrophobicContact CB-CZ 3.51Å; A441-T490 HydrophobicContact CB-CG2 3.72Å
442	T	98.3	Very high	97.5	Very high	18 Å²	18	31.4 Å²	31.4	11%	0.11	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	139.1	172	-62.4	0	0	0	0	109.8	G392 L393 I403 H440 I449 Y450	G392-T442 WeakPolarHBondContact CA-OG1 3.26Å; L393-T442 WeakPolarHBondContact O-CB 3.36Å; L393-T442 WeakPolarHBondContact O-CG2 3.35Å; I403-T442 HydrophobicContact CD1-CG2 3.8Å; H440-T442 PolarHBondContact CD2-OG1 3.36Å; T442-I449 HydrophobicContact CG2-CG2 3.51Å; T442-Y450 CarbonylContact C-O 3.54Å; T442-Y450 VanDerWaalsContact CA-O 3.22Å; T442-Y450 WeakPolarHBondContact CA-O 3.4Å; T442-Y450 WeakPolarHBondContact CG2-O 3.43Å
443	I	98.1	Very high	97.5	Very high	34 Å²	34	26.6 Å²	26.6	17%	0.174	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	144.8	176.7	-169.9	62.1	0	0	0	110.1	Y450 L452 T490 I492 I497	I443-Y450 HydrophobicContact CG2-CD2 4.42Å; I443-Y450 PolarHBondContact N-O 2.93Å; I443-Y450 WeakPolarHBondContact O-CD2 3.36Å; I443-Y450 PolarHBondContact O-N 3.35Å; I443-L452 HydrophobicContact CG2-CD1 4.02Å; I443-T490 HydrophobicContact CB-CG2 4.1Å; I443-I492 HydrophobicContact CD1-CG1 4.23Å; I443-I492 HydrophobicContact CG1-CD1 3.72Å; I443-I492 HydrophobicContact CG1-CG1 3.65Å; I443-I492 HydrophobicContact CG2-CD1 4.31Å; I443-I497 HydrophobicContact CG2-CD1 3.94Å; I443-I497 HydrophobicContact CG2-CG1 4.05Å; I443-I497 HydrophobicContact CG2-CG2 3.95Å
444	S	97.6	Very high	97.6	Very high	28 Å²	28	26.5 Å²	26.5	20%	0.196	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	134.2	-179.5	-54.8	0	0	0	0	110.2	G394 E395 L448	G394-S444 WeakPolarHBondContact CA-OG 3.19Å; E395-S444 PolarHBondContact N-OG 3.04Å; E395-S444 VanDerWaalsContact O-CB 3.25Å; E395-S444 WeakPolarHBondContact O-CB 3.35Å; E395-S444 PolarHBondContact O-OG 3.13Å; S444-L448 WeakPolarHBondContact CA-O 3.45Å
445	N	95.9	Very high	97.6	Very high	30 Å²	30	25.6 Å²	25.6	16%	0.16	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	135.1	174.9	-172.6	44.2	0	0	0	111.1	G447 L448 Y450 I492 L517	N445-G447 PolarHBondContact O-N 2.99Å; N445-G447 VanDerWaalsContact O-N 3.13Å; N445-L448 PolarHBondContact N-O 2.83Å; N445-L448 PolarHBondContact O-N 2.71Å; N445-Y450 HydrophobicContact CB-CE2 4.06Å; N445-I492 HydrophobicContact CB-CD1 3.88Å; N445-I492 HydrophobicContact CB-CG1 4.08Å; N445-L517 HydrophobicContact CB-CD1 4.49Å; N445-L517 WeakPolarHBondContact ND2-CD1 3.45Å
446	N	92.3	Very high	97.6	Very high	129 Å²	129	25.7 Å²	25.7	69%	0.69	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	52	34.4	176.4	-66	-23.9	0	0	0	115.2	L448	N446-L448 VanDerWaalsContact C-N 3.29Å
447	G	93.3	Very high	97.2	Very high	14 Å²	14	26.1 Å²	26.1	14%	0.144	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.6	16.7	179.6	0	0	0	0	0	113.8	S396 N445	S396-G447 PolarHBondContact OG-O 3.31Å; N445-G447 PolarHBondContact O-N 2.99Å; N445-G447 VanDerWaalsContact O-N 3.13Å
448	L	97	Very high	96.9	Very high	43 Å²	43	30.8 Å²	30.8	23%	0.225	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	149.2	171.8	-60.1	176.4	0	0	0	109	S444 N445 N446 Y450 V467 Y468 N469	S444-L448 WeakPolarHBondContact CA-O 3.45Å; N445-L448 PolarHBondContact N-O 2.83Å; N445-L448 PolarHBondContact O-N 2.71Å; N446-L448 VanDerWaalsContact C-N 3.29Å; L448-Y450 HydrophobicContact CB-CE2 3.81Å; L448-Y450 WeakPolarHBondContact CD1-OH 3.37Å; L448-V467 HydrophobicContact CB-CG2 3.83Å; L448-V467 HydrophobicContact CD1-CG2 4.11Å; L448-V467 HydrophobicContact CD2-CG2 4.47Å; L448-V467 HydrophobicContact CG-CG2 4.37Å; L448-Y468 WeakPolarHBondContact CA-O 3.32Å; L448-N469 HydrophobicContact CD2-CB 3.77Å
449	I	98.6	Very high	96.6	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	125.9	178.7	-55.7	170	0	0	0	108.2	Y401 I403 T442 V467 Y468	Y401-I449 HydrophobicContact CD1-CD1 4.17Å; Y401-I449 HydrophobicContact CD2-CD1 3.28Å; Y401-I449 HydrophobicContact CE2-CD1 3.76Å; Y401-I449 HydrophobicContact CG-CD1 3.51Å; I403-I449 HydrophobicContact CD1-CG2 3.57Å; T442-I449 HydrophobicContact CG2-CG2 3.51Å; I449-V467 CarbonylContact O-C 3.59Å; I449-V467 WeakPolarHBondContact O-CA 3.26Å; I449-Y468 HydrophobicContact CD1-CD1 4.32Å; I449-Y468 PolarHBondContact N-O 2.91Å; I449-Y468 VanDerWaalsContact N-O 3.15Å; I449-Y468 PolarHBondContact O-N 2.91Å
450	Y	98.7	Very high	96.6	Very high	16 Å²	16	42.1 Å²	42.1	6%	0.063	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	131	-177.6	-57.6	-99.2	0	0	0	109.2	T442 I443 N445 L448 F466 V467 L478 I497 L517	T442-Y450 CarbonylContact C-O 3.54Å; T442-Y450 VanDerWaalsContact CA-O 3.22Å; T442-Y450 WeakPolarHBondContact CA-O 3.4Å; T442-Y450 WeakPolarHBondContact CG2-O 3.43Å; I443-Y450 HydrophobicContact CG2-CD2 4.42Å; I443-Y450 PolarHBondContact N-O 2.93Å; I443-Y450 WeakPolarHBondContact O-CD2 3.36Å; I443-Y450 PolarHBondContact O-N 3.35Å; N445-Y450 HydrophobicContact CB-CE2 4.06Å; L448-Y450 HydrophobicContact CB-CE2 3.81Å; L448-Y450 WeakPolarHBondContact CD1-OH 3.37Å; Y450-F466 CarbonylContact C-O 3.46Å; Y450-F466 VanDerWaalsContact CA-O 3.29Å; Y450-F466 WeakPolarHBondContact CA-O 3.31Å; Y450-V467 HydrophobicContact CD1-CB 3.96Å; Y450-V467 HydrophobicContact CD1-CG2 3.84Å; Y450-V467 HydrophobicContact CE1-CB 4.04Å; Y450-V467 HydrophobicContact CE1-CG2 3.6Å; Y450-V467 HydrophobicContact CE2-CG2 4.46Å; Y450-V467 HydrophobicContact CG-CG2 4.39Å; Y450-L478 HydrophobicContact CD1-CD1 3.83Å; Y450-L478 HydrophobicContact CE1-CD1 3.79Å; Y450-I497 HydrophobicContact CD1-CD1 3.67Å; Y450-I497 HydrophobicContact CD2-CD1 4.02Å; Y450-I497 HydrophobicContact CE1-CD1 4.18Å; Y450-I497 HydrophobicContact CG-CD1 3.58Å; Y450-L517 HydrophobicContact CE1-CD2 3.71Å; Y450-L517 HydrophobicContact CE2-CD2 4.38Å
451	C	98.7	Very high	96.5	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.007	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	120.8	178.4	179.2	0	0	0	0	108.3	L433 I437 H440 V465 F466 W475	L433-C451 HydrophobicContact CD1-CB 4.38Å; I437-C451 VanDerWaalsContact CD1-SG 3.54Å; H440-C451 PolarHBondContact CD2-SG 3.06Å; C451-V465 WeakPolarHBondContact O-CA 3.16Å; C451-F466 HydrophobicContact CB-CB 4.36Å; C451-F466 PolarHBondContact N-O 2.67Å; C451-F466 PolarHBondContact O-N 3.05Å; C451-W475 HydrophobicContact CB-CH2 4.2Å; C451-W475 HydrophobicContact CB-CZ3 3.92Å
452	L	98.8	Very high	96.5	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	129	-167.6	-54	97.9	0	0	0	111.3	H440 A441 I443 V465 M481 F488 I497 I499 W522	H440-L452 WeakPolarHBondContact CA-O 3.37Å; H440-L452 WeakPolarHBondContact CB-O 3.48Å; A441-L452 PolarHBondContact N-O 3.02Å; A441-L452 PolarHBondContact O-N 3.26Å; I443-L452 HydrophobicContact CG2-CD1 4.02Å; L452-V465 HydrophobicContact CD2-CG1 4.16Å; L452-V465 HydrophobicContact CD2-CG2 4.28Å; L452-V465 HydrophobicContact CG-CG1 4.17Å; L452-M481 HydrophobicContact CB-SD 4.31Å; L452-F488 HydrophobicContact CB-CE2 4.37Å; L452-F488 HydrophobicContact CB-CZ 3.93Å; L452-F488 VanDerWaalsContact O-CZ 3.26Å; L452-F488 WeakPolarHBondContact O-CZ 3.28Å; L452-I497 HydrophobicContact CD2-CG2 3.99Å; L452-I499 HydrophobicContact CD2-CG2 4.34Å; L452-W522 HydrophobicContact CD2-CH2 3.78Å; L452-W522 HydrophobicContact CD2-CZ2 3.92Å
453	G	98.6	Very high	96.5	Very high	3 Å²	3	44.5 Å²	44.5	3%	0.031	23%	0.229	C	C	.	.			trans	62.8	-143.2	170.4	0	0	0	0	0	114.4	H440 T462 R464 M481	H440-G453 VanDerWaalsContact CB-O 3.3Å; H440-G453 WeakPolarHBondContact CB-O 3.22Å; G453-T462 VanDerWaalsContact CA-O 3.31Å; G453-T462 WeakPolarHBondContact CA-O 3.28Å; G453-T462 WeakPolarHBondContact O-CG2 3.44Å; G453-R464 PolarHBondContact N-O 3.28Å; G453-M481 VanDerWaalsContact CA-CE 3.48Å
454	G	98.5	Very high	96.6	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.237	C	C	.	.			trans	96.3	-174.5	-175.9	0	0	0	0	0	113.2	Y438 C461 T462 R485	Y438-G454 CarbonylContact O-C 3.55Å; Y438-G454 WeakPolarHBondContact O-CA 2.88Å; G454-C461 CarbonylContact O-C 3.54Å; G454-C461 WeakPolarHBondContact O-CA 3.5Å; G454-T462 PolarHBondContact O-N 2.91Å; G454-R485 PolarHBondContact N-O 2.82Å
455	K	98.3	Very high	96.6	Very high	54 Å²	54	45.7 Å²	45.7	24%	0.235	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	134.3	174.4	-73.6	179.4	178.3	177.6	0	110.6	I437 Y438 K460 S486	I437-K455 VanDerWaalsContact CA-O 3.23Å; I437-K455 WeakPolarHBondContact CA-O 3.36Å; Y438-K455 HydrophobicContact CD1-CB 4.26Å; Y438-K455 HydrophobicContact CD2-CB 4.5Å; Y438-K455 HydrophobicContact CE1-CB 3.72Å; Y438-K455 HydrophobicContact CE2-CB 4Å; Y438-K455 HydrophobicContact CE2-CD 4.04Å; Y438-K455 PolarHBondContact N-O 2.96Å; Y438-K455 PolarHBondContact O-N 3.43Å; K455-K460 VanDerWaalsContact CA-O 3.27Å; K455-K460 WeakPolarHBondContact CA-O 3.22Å; K455-S486 WeakPolarHBondContact CE-OG 3.39Å
456	T	96.3	Very high	96.7	Very high	28 Å²	28	44.3 Å²	44.3	17%	0.172	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	173.9	173.5	37.5	0	0	0	0	111.4	I435 I437 D458 K459 K460 T462	I435-T456 HydrophobicContact CD1-CG2 4.23Å; I437-T456 HydrophobicContact CG2-CG2 3.76Å; T456-D458 WeakPolarHBondContact CB-OD1 3.4Å; T456-D458 PolarHBondContact O-N 3.2Å; T456-D458 VanDerWaalsContact O-N 3.15Å; T456-D458 PolarHBondContact OG1-OD1 3.18Å; T456-K459 WeakPolarHBondContact O-CA 3.09Å; T456-K459 PolarHBondContact O-N 2.94Å; T456-K460 PolarHBondContact N-O 2.91Å; T456-K460 PolarHBondContact OG1-O 3.14Å; T456-T462 HydrophobicContact CG2-CG2 4.41Å
457	D	90.8	Very high	97	Very high	86 Å²	86	38.9 Å²	38.9	46%	0.46	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-25.5	-179.4	-74.7	-14.8	0	0	0	114.1	S413 K436 K459	S413-D457 WeakPolarHBondContact CB-OD1 3.43Å; S413-D457 PolarHBondContact OG-OD1 3.14Å; K436-D457 WeakPolarHBondContact CD-OD2 3.34Å; D457-K459 PolarHBondContact O-N 2.85Å
458	D	92.3	Very high	97.3	Very high	98 Å²	98	38.8 Å²	38.8	52%	0.524	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	5.6	172.7	69.9	-12.4	0	0	0	113.5	T456 K460	T456-D458 WeakPolarHBondContact CB-OD1 3.4Å; T456-D458 PolarHBondContact O-N 3.2Å; T456-D458 VanDerWaalsContact O-N 3.15Å; T456-D458 PolarHBondContact OG1-OD1 3.18Å; D458-K460 PolarHBondContact O-N 2.91Å; D458-K460 WeakPolarHBondContact OD1-CB 3.43Å; D458-K460 PolarHBondContact OD1-N 2.77Å; D458-K460 VanDerWaalsContact OD1-N 3.13Å
459	K	91.8	Very high	97.3	Very high	166 Å²	166	38.6 Å²	38.6	72%	0.722	19%	0.186	S	C	*	.	S	Bend	trans	64.8	11.7	-179.6	-54.5	177.5	179.8	177.8	0	114.5	T456 D457	T456-K459 WeakPolarHBondContact O-CA 3.09Å; T456-K459 PolarHBondContact O-N 2.94Å; D457-K459 PolarHBondContact O-N 2.85Å
460	K	96.8	Very high	97.1	Very high	116 Å²	116	39.7 Å²	39.7	50%	0.504	19%	0.194	S	C	.	.			trans	-87.2	150.9	175.2	-64.9	-170.9	178.7	-175.2	0	111.5	K455 T456 D458	K455-K460 VanDerWaalsContact CA-O 3.27Å; K455-K460 WeakPolarHBondContact CA-O 3.22Å; T456-K460 PolarHBondContact N-O 2.91Å; T456-K460 PolarHBondContact OG1-O 3.14Å; D458-K460 PolarHBondContact O-N 2.91Å; D458-K460 WeakPolarHBondContact OD1-CB 3.43Å; D458-K460 PolarHBondContact OD1-N 2.77Å; D458-K460 VanDerWaalsContact OD1-N 3.13Å
461	C	98.3	Very high	96.9	Very high	15 Å²	15	47.1 Å²	47.1	10%	0.101	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-74.3	141	171.3	-64.7	0	0	0	0	109.5	G454 A484 V503	G454-C461 CarbonylContact O-C 3.54Å; G454-C461 WeakPolarHBondContact O-CA 3.5Å; C461-A484 HydrophobicContact CB-CB 4Å; C461-V503 PolarHBondContact SG-O 3.02Å; C461-V503 VanDerWaalsContact SG-O 3.36Å
462	T	98.4	Very high	96.8	Very high	17 Å²	17	53.4 Å²	53.4	10%	0.104	25%	0.253	C	S	.	.			trans	-106.2	151.9	171.8	-176.4	0	0	0	0	110.7	I435 G453 G454 T456 R464 R485	I435-T462 HydrophobicContact CD1-CG2 4.32Å; G453-T462 VanDerWaalsContact CA-O 3.31Å; G453-T462 WeakPolarHBondContact CA-O 3.28Å; G453-T462 WeakPolarHBondContact O-CG2 3.44Å; G454-T462 PolarHBondContact O-N 2.91Å; T456-T462 HydrophobicContact CG2-CG2 4.41Å; T462-R464 WeakPolarHBondContact OG1-CG 3.34Å; T462-R464 PolarHBondContact OG1-N 3.4Å; T462-R485 PolarHBondContact O-N 2.89Å
463	N	98.4	Very high	96.6	Very high	56 Å²	56	54.8 Å²	54.8	30%	0.299	27%	0.268	S	S	.	.			trans	-104.9	5.6	170.4	67.9	-13.8	0	0	0	112.8	P480 M481 A484	N463-P480 HydrophobicContact CB-CB 4.46Å; N463-P480 CarbonylContact O-C 3.58Å; N463-P480 VanDerWaalsContact O-CA 3.27Å; N463-P480 WeakPolarHBondContact O-CA 3.39Å; N463-P480 WeakPolarHBondContact O-CB 3.36Å; N463-M481 HydrophobicContact CB-CB 4.09Å; N463-M481 HydrophobicContact CB-CE 4.44Å; N463-M481 WeakPolarHBondContact CB-O 3.49Å; N463-M481 PolarHBondContact ND2-O 3.28Å; N463-M481 PolarHBondContact O-N 2.86Å; N463-A484 HydrophobicContact CB-CB 3.94Å
464	R	98.5	Very high	96.5	Very high	86 Å²	86	56.8 Å²	56.8	33%	0.325	28%	0.278	S	S	.	.			trans	-66.7	149.5	-178.7	-68.2	-178.3	72.1	-178.9	3.6	111.4	G453 T462 F466 D477	G453-R464 PolarHBondContact N-O 3.28Å; T462-R464 WeakPolarHBondContact OG1-CG 3.34Å; T462-R464 PolarHBondContact OG1-N 3.4Å; R464-F466 HydrophobicContact CB-CE2 3.89Å; R464-F466 HydrophobicContact CB-CZ 4.06Å; R464-F466 VanDerWaalsContact CZ-CZ 3.44Å; R464-D477 IonicContact CZ-OD1 3.42Å; R464-D477 IonicContact NE-OD1 3.56Å; R464-D477 PolarHBondContact NE-OD1 2.92Å; R464-D477 VanDerWaalsContact NE-OD1 3.15Å; R464-D477 IonicContact NH2-OD1 2.64Å; R464-D477 PolarHBondContact NH2-OD1 2.69Å; R464-D477 IonicContact NH2-OD2 3.45Å; R464-D477 PolarHBondContact NH2-OD2 3.15Å
465	V	98.7	Very high	96.5	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	126	179.4	-179.1	0	0	0	0	107.4	C451 L452 L478 M481 W522	C451-V465 WeakPolarHBondContact O-CA 3.16Å; L452-V465 HydrophobicContact CD2-CG1 4.16Å; L452-V465 HydrophobicContact CD2-CG2 4.28Å; L452-V465 HydrophobicContact CG-CG1 4.17Å; V465-L478 HydrophobicContact CB-CB 4.17Å; V465-L478 HydrophobicContact CG1-CB 3.96Å; V465-L478 HydrophobicContact CG1-CD1 4.17Å; V465-L478 PolarHBondContact O-N 3.09Å; V465-M481 HydrophobicContact CG2-CG 3.95Å; V465-W522 HydrophobicContact CG2-CZ2 3.86Å
466	F	98.6	Very high	96.5	Very high	2 Å²	2	61.4 Å²	61.4	1%	0.009	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	146.5	176.1	-55.1	-85.5	0	0	0	110.6	L433 P434 I435 Y450 C451 R464 W475 R476 D477	L433-F466 HydrophobicContact CD1-CB 4.1Å; L433-F466 HydrophobicContact CD1-CD2 4.06Å; L433-F466 HydrophobicContact CD1-CG 4.05Å; P434-F466 HydrophobicContact CB-CD1 4.5Å; P434-F466 HydrophobicContact CB-CE1 3.87Å; P434-F466 HydrophobicContact CB-CZ 4.37Å; P434-F466 HydrophobicContact CG-CD1 3.9Å; P434-F466 HydrophobicContact CG-CE1 3.76Å; I435-F466 HydrophobicContact CD1-CE2 3.46Å; I435-F466 VanDerWaalsContact CD1-CE2 3.46Å; I435-F466 HydrophobicContact CD1-CZ 3.77Å; I435-F466 HydrophobicContact CG1-CE2 3.65Å; I435-F466 HydrophobicContact CG1-CZ 3.77Å; I435-F466 HydrophobicContact CG2-CZ 4.27Å; Y450-F466 CarbonylContact C-O 3.46Å; Y450-F466 VanDerWaalsContact CA-O 3.29Å; Y450-F466 WeakPolarHBondContact CA-O 3.31Å; C451-F466 HydrophobicContact CB-CB 4.36Å; C451-F466 PolarHBondContact N-O 2.67Å; C451-F466 PolarHBondContact O-N 3.05Å; R464-F466 HydrophobicContact CB-CE2 3.89Å; R464-F466 HydrophobicContact CB-CZ 4.06Å; R464-F466 VanDerWaalsContact CZ-CZ 3.44Å; F466-W475 HydrophobicContact CB-CE3 3.62Å; F466-W475 HydrophobicContact CB-CZ3 3.92Å; F466-R476 CarbonylContact C-O 3.55Å; F466-R476 VanDerWaalsContact CA-O 3.28Å; F466-R476 WeakPolarHBondContact CA-O 3.06Å; F466-D477 WeakPolarHBondContact CE1-OD1 3.44Å
467	V	98.4	Very high	96.6	Very high	15 Å²	15	64.2 Å²	64.2	9%	0.091	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	131.3	170.1	63.8	0	0	0	0	110.2	L448 I449 Y450 W475 R476 L478	L448-V467 HydrophobicContact CB-CG2 3.83Å; L448-V467 HydrophobicContact CD1-CG2 4.11Å; L448-V467 HydrophobicContact CD2-CG2 4.47Å; L448-V467 HydrophobicContact CG-CG2 4.37Å; I449-V467 CarbonylContact O-C 3.59Å; I449-V467 WeakPolarHBondContact O-CA 3.26Å; Y450-V467 HydrophobicContact CD1-CB 3.96Å; Y450-V467 HydrophobicContact CD1-CG2 3.84Å; Y450-V467 HydrophobicContact CE1-CB 4.04Å; Y450-V467 HydrophobicContact CE1-CG2 3.6Å; Y450-V467 HydrophobicContact CE2-CG2 4.46Å; Y450-V467 HydrophobicContact CG-CG2 4.39Å; V467-W475 CarbonylContact O-C 3.6Å; V467-W475 WeakPolarHBondContact O-CA 3.48Å; V467-R476 HydrophobicContact CG1-CB 4.03Å; V467-R476 PolarHBondContact N-O 3.29Å; V467-R476 PolarHBondContact O-N 3.25Å; V467-L478 HydrophobicContact CB-CD1 3.86Å; V467-L478 HydrophobicContact CB-CG 4.23Å; V467-L478 HydrophobicContact CG1-CD1 3.92Å; V467-L478 HydrophobicContact CG1-CD2 3.9Å; V467-L478 HydrophobicContact CG1-CG 3.83Å
468	Y	98.5	Very high	96.9	Very high	12 Å²	12	62.1 Å²	62.1	5%	0.047	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	132.4	173.7	-176.5	-113.2	0	0	0	110.5	Y401 I430 K431 L448 I449 D474 W475	Y401-Y468 HydrophobicContact CD1-CE1 4.4Å; Y401-Y468 HydrophobicContact CE1-CD1 4.47Å; Y401-Y468 AromaticContact CE1-CE1 3.79Å; Y401-Y468 HydrophobicContact CE1-CE1 3.79Å; I430-Y468 HydrophobicContact CD1-CD1 4.49Å; I430-Y468 HydrophobicContact CD1-CE1 3.7Å; I430-Y468 HydrophobicContact CD1-CE2 3.92Å; I430-Y468 VanDerWaalsContact CD1-OH 3.31Å; I430-Y468 WeakPolarHBondContact CD1-OH 3.38Å; K431-Y468 HydrophobicContact CB-CE2 4.27Å; L448-Y468 WeakPolarHBondContact CA-O 3.32Å; I449-Y468 HydrophobicContact CD1-CD1 4.32Å; I449-Y468 PolarHBondContact N-O 2.91Å; I449-Y468 VanDerWaalsContact N-O 3.15Å; I449-Y468 PolarHBondContact O-N 2.91Å; Y468-D474 WeakPolarHBondContact CA-O 3.25Å; Y468-D474 WeakPolarHBondContact CD2-O 3.28Å; Y468-W475 AromaticContact CD2-CD1 3.86Å; Y468-W475 AromaticContact CD2-CD2 3.89Å; Y468-W475 HydrophobicContact CD2-CD2 3.89Å; Y468-W475 AromaticContact CD2-CE2 3.67Å; Y468-W475 HydrophobicContact CD2-CG 4.01Å; Y468-W475 HydrophobicContact CD2-CZ2 4.2Å; Y468-W475 AromaticContact CD2-NE1 3.63Å; Y468-W475 HydrophobicContact CG-CD2 4.25Å; Y468-W475 AromaticContact CG-CE2 3.99Å; Y468-W475 HydrophobicContact CG-CH2 4.44Å; Y468-W475 HydrophobicContact CG-CZ2 4.09Å
469	N	97	Very high	97.2	Very high	38 Å²	38	58.7 Å²	58.7	20%	0.203	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	106.3	170.8	-174.3	-46.3	0	0	0	109.5	L448 K471 K472 G473 D474	L448-N469 HydrophobicContact CD2-CB 3.77Å; N469-K471 PolarHBondContact O-N 3.48Å; N469-K471 WeakPolarHBondContact OD1-CB 3.4Å; N469-K471 PolarHBondContact OD1-N 3.49Å; N469-K472 HydrophobicContact CB-CB 4.16Å; N469-K472 PolarHBondContact O-N 2.85Å; N469-K472 VanDerWaalsContact O-N 3.12Å; N469-K472 PolarHBondContact OD1-N 2.78Å; N469-K472 VanDerWaalsContact OD1-N 3.1Å; N469-G473 PolarHBondContact O-N 2.86Å; N469-D474 PolarHBondContact N-O 2.96Å; N469-D474 VanDerWaalsContact N-O 3.08Å
470	S	94.4	Very high	97.5	Very high	24 Å²	24	54.1 Å²	54.1	17%	0.168	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-34.2	-179.6	56.4	0	0	0	0	113.7	S396 D397	S396-S470 WeakPolarHBondContact OG-CB 3.42Å; S396-S470 PolarHBondContact OG-OG 2.98Å; D397-S470 PolarHBondContact OD2-OG 2.86Å; D397-S470 VanDerWaalsContact OD2-OG 3.13Å
471	K	95.1	Very high	97.6	Very high	173 Å²	173	48.7 Å²	48.7	75%	0.752	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-28	-179.9	-61.7	-178.4	178	178.2	0	112.9	N469	N469-K471 PolarHBondContact O-N 3.48Å; N469-K471 WeakPolarHBondContact OD1-CB 3.4Å; N469-K471 PolarHBondContact OD1-N 3.49Å
472	K	95.9	Very high	97.6	Very high	132 Å²	132	53.2 Å²	53.2	57%	0.574	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.1	-21.6	179	-68.1	-176.8	-179.2	-179.9	0	113.2	N469 D474	N469-K472 HydrophobicContact CB-CB 4.16Å; N469-K472 PolarHBondContact O-N 2.85Å; N469-K472 VanDerWaalsContact O-N 3.12Å; N469-K472 PolarHBondContact OD1-N 2.78Å; N469-K472 VanDerWaalsContact OD1-N 3.1Å; K472-D474 VanDerWaalsContact C-N 3.31Å; K472-D474 WeakPolarHBondContact CB-OD1 3.4Å
473	G	95.6	Very high	97.6	Very high	30 Å²	30	55 Å²	55	31%	0.309	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	70	24.4	-176.6	0	0	0	0	0	113.9	K431 N469	K431-G473 WeakPolarHBondContact CB-O 3.43Å; N469-G473 PolarHBondContact O-N 2.86Å
474	D	96.8	Very high	97.6	Very high	45 Å²	45	53.6 Å²	53.6	24%	0.241	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	147	-176.8	70.6	-23.5	0	0	0	113.5	Y468 N469 K472 R476	Y468-D474 WeakPolarHBondContact CA-O 3.25Å; Y468-D474 WeakPolarHBondContact CD2-O 3.28Å; N469-D474 PolarHBondContact N-O 2.96Å; N469-D474 VanDerWaalsContact N-O 3.08Å; K472-D474 VanDerWaalsContact C-N 3.31Å; K472-D474 WeakPolarHBondContact CB-OD1 3.4Å; D474-R476 IonicContact OD1-NE 2.69Å; D474-R476 IonicContact OD2-CZ 3.06Å; D474-R476 IonicContact OD2-NE 3.44Å; D474-R476 PolarHBondContact OD2-NE 3.4Å; D474-R476 IonicContact OD2-NH2 2.73Å; D474-R476 PolarHBondContact OD2-NH2 3.08Å
475	W	98.4	Very high	97.6	Very high	29 Å²	29	49.5 Å²	49.5	11%	0.11	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	145.6	168.1	-72.2	98.7	0	0	0	109.9	I403 V417 K431 K432 L433 P434 C451 F466 V467 Y468	I403-W475 HydrophobicContact CD1-CH2 3.95Å; I403-W475 HydrophobicContact CD1-CZ2 4.43Å; I403-W475 HydrophobicContact CG1-CH2 4.35Å; I403-W475 HydrophobicContact CG1-CZ2 4.42Å; I403-W475 HydrophobicContact CG2-CH2 4.28Å; I403-W475 HydrophobicContact CG2-CZ2 4.47Å; V417-W475 HydrophobicContact CG2-CZ2 4.06Å; K431-W475 PolarHBondContact O-NE1 2.87Å; K432-W475 VanDerWaalsContact O-CD1 3.28Å; L433-W475 HydrophobicContact CD1-CD2 3.77Å; L433-W475 HydrophobicContact CD1-CE3 3.68Å; L433-W475 HydrophobicContact CD1-CH2 3.76Å; L433-W475 HydrophobicContact CD1-CZ2 3.86Å; L433-W475 HydrophobicContact CD1-CZ3 3.67Å; P434-W475 HydrophobicContact CG-CB 4.07Å; C451-W475 HydrophobicContact CB-CH2 4.2Å; C451-W475 HydrophobicContact CB-CZ3 3.92Å; F466-W475 HydrophobicContact CB-CE3 3.62Å; F466-W475 HydrophobicContact CB-CZ3 3.92Å; V467-W475 CarbonylContact O-C 3.6Å; V467-W475 WeakPolarHBondContact O-CA 3.48Å; Y468-W475 AromaticContact CD2-CD1 3.86Å; Y468-W475 AromaticContact CD2-CD2 3.89Å; Y468-W475 HydrophobicContact CD2-CD2 3.89Å; Y468-W475 AromaticContact CD2-CE2 3.67Å; Y468-W475 HydrophobicContact CD2-CG 4.01Å; Y468-W475 HydrophobicContact CD2-CZ2 4.2Å; Y468-W475 AromaticContact CD2-NE1 3.63Å; Y468-W475 HydrophobicContact CG-CD2 4.25Å; Y468-W475 AromaticContact CG-CE2 3.99Å; Y468-W475 HydrophobicContact CG-CH2 4.44Å; Y468-W475 HydrophobicContact CG-CZ2 4.09Å
476	R	97.8	Very high	97.6	Very high	121 Å²	121	49.6 Å²	49.6	46%	0.457	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	144.4	175	-58.9	178.1	-173.1	-155.8	-9.4	110.8	F466 V467 D474	F466-R476 CarbonylContact C-O 3.55Å; F466-R476 VanDerWaalsContact CA-O 3.28Å; F466-R476 WeakPolarHBondContact CA-O 3.06Å; V467-R476 HydrophobicContact CG1-CB 4.03Å; V467-R476 PolarHBondContact N-O 3.29Å; V467-R476 PolarHBondContact O-N 3.25Å; D474-R476 IonicContact OD1-NE 2.69Å; D474-R476 IonicContact OD2-CZ 3.06Å; D474-R476 IonicContact OD2-NE 3.44Å; D474-R476 PolarHBondContact OD2-NE 3.4Å; D474-R476 IonicContact OD2-NH2 2.73Å; D474-R476 PolarHBondContact OD2-NH2 3.08Å
477	D	97.9	Very high	97.5	Very high	88 Å²	88	52.3 Å²	52.3	47%	0.471	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	140.6	168.9	-72.2	-98.3	0	0	0	111	R464 F466	R464-D477 IonicContact CZ-OD1 3.42Å; R464-D477 IonicContact NE-OD1 3.56Å; R464-D477 PolarHBondContact NE-OD1 2.92Å; R464-D477 VanDerWaalsContact NE-OD1 3.15Å; R464-D477 IonicContact NH2-OD1 2.64Å; R464-D477 PolarHBondContact NH2-OD1 2.69Å; R464-D477 IonicContact NH2-OD2 3.45Å; R464-D477 PolarHBondContact NH2-OD2 3.15Å; F466-D477 WeakPolarHBondContact CE1-OD1 3.44Å
478	L	98.3	Very high	97.6	Very high	42 Å²	42	52.3 Å²	52.3	22%	0.22	27%	0.268	C	S	.	.			trans	-112.9	178.6	169.2	-64.4	-176.7	0	0	0	110.4	Y450 V465 V467 F515	Y450-L478 HydrophobicContact CD1-CD1 3.83Å; Y450-L478 HydrophobicContact CE1-CD1 3.79Å; V465-L478 HydrophobicContact CB-CB 4.17Å; V465-L478 HydrophobicContact CG1-CB 3.96Å; V465-L478 HydrophobicContact CG1-CD1 4.17Å; V465-L478 PolarHBondContact O-N 3.09Å; V467-L478 HydrophobicContact CB-CD1 3.86Å; V467-L478 HydrophobicContact CB-CG 4.23Å; V467-L478 HydrophobicContact CG1-CD1 3.92Å; V467-L478 HydrophobicContact CG1-CD2 3.9Å; V467-L478 HydrophobicContact CG1-CG 3.83Å; L478-F515 HydrophobicContact CB-CZ 4.16Å; L478-F515 HydrophobicContact CD1-CE1 3.93Å; L478-F515 HydrophobicContact CD1-CZ 3.91Å
479	A	98.3	Very high	97.5	Very high	25 Å²	25	51.9 Å²	51.9	21%	0.207	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-59.3	130.5	175	0	0	0	0	0	110.2	F515 N520 W522	A479-F515 HydrophobicContact CB-CE2 4.23Å; A479-N520 VanDerWaalsContact CB-O 3.23Å; A479-N520 WeakPolarHBondContact CB-O 3.47Å; A479-N520 WeakPolarHBondContact CB-OD1 3.42Å; A479-N520 PolarHBondContact N-OD1 3.05Å; A479-W522 PolarHBondContact O-NE1 2.85Å
480	P	98.5	Very high	97.6	Very high	70 Å²	70	51.2 Å²	51.2	46%	0.455	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-72.5	154	-176.1	30.9	-36	0	0	0	111.7	N463 W522	N463-P480 HydrophobicContact CB-CB 4.46Å; N463-P480 CarbonylContact O-C 3.58Å; N463-P480 VanDerWaalsContact O-CA 3.27Å; N463-P480 WeakPolarHBondContact O-CA 3.39Å; N463-P480 WeakPolarHBondContact O-CB 3.36Å; P480-W522 PolarHBondContact O-NE1 2.64Å
481	M	98.4	Very high	97.8	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.01	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-59.2	155.5	171.2	-56.9	179.3	-58.3	0	0	110.5	L452 G453 N463 V465 R485 F488 I499 W522	L452-M481 HydrophobicContact CB-SD 4.31Å; G453-M481 VanDerWaalsContact CA-CE 3.48Å; N463-M481 HydrophobicContact CB-CB 4.09Å; N463-M481 HydrophobicContact CB-CE 4.44Å; N463-M481 WeakPolarHBondContact CB-O 3.49Å; N463-M481 PolarHBondContact ND2-O 3.28Å; N463-M481 PolarHBondContact O-N 2.86Å; V465-M481 HydrophobicContact CG2-CG 3.95Å; M481-R485 HydrophobicContact CE-CG 3.88Å; M481-R485 HydrophobicContact SD-CG 4.36Å; M481-F488 HydrophobicContact CE-CZ 4.4Å; M481-F488 HydrophobicContact SD-CZ 4.19Å; M481-I499 HydrophobicContact CB-CD1 4.46Å; M481-I499 HydrophobicContact CG-CD1 3.94Å; M481-I499 HydrophobicContact SD-CD1 3.31Å; M481-I499 WeakPolarHBondContact SD-CD1 3.45Å; M481-W522 HydrophobicContact CB-CZ2 4.35Å; M481-W522 HydrophobicContact CG-CD2 4.44Å; M481-W522 HydrophobicContact CG-CH2 3.7Å; M481-W522 HydrophobicContact CG-CZ2 3.36Å; M481-W522 HydrophobicContact CG-CZ3 4.38Å; M481-W522 HydrophobicContact SD-CH2 4.26Å; M481-W522 HydrophobicContact SD-CZ2 4.38Å
482	K	97.6	Very high	97.9	Very high	110 Å²	110	43.7 Å²	43.7	48%	0.478	23%	0.231	S	C	.	.	S	Bend	trans	-71.8	-39.8	176.1	-61.5	176.2	-179.2	175.8	0	111	E513 W522 I524	K482-E513 WeakPolarHBondContact CB-OE2 3.5Å; K482-E513 WeakPolarHBondContact CG-OE2 3.47Å; K482-E513 PolarHBondContact N-OE2 3.04Å; K482-W522 VanDerWaalsContact CE-O 3.26Å; K482-W522 WeakPolarHBondContact CE-O 3.47Å; K482-W522 HydrophobicContact CG-CB 4.4Å; K482-W522 PolarHBondContact NZ-O 3.42Å; K482-I524 HydrophobicContact CD-CD1 4.05Å; K482-I524 HydrophobicContact CD-CG1 3.9Å
483	V	97.6	Very high	98	Very high	54 Å²	54	37.9 Å²	37.9	33%	0.327	21%	0.206	S	C	.	.	S	Bend	trans	-112.7	122.9	179.5	-175.3	0	0	0	0	110.1	R485 T504 E513	V483-R485 PolarHBondContact O-N 3.19Å; V483-R485 PolarHBondContact O-NE 2.96Å; V483-T504 HydrophobicContact CG1-CG2 3.67Å; V483-E513 PolarHBondContact N-OE1 3.09Å
484	A	98.6	Very high	98	Very high	28 Å²	28	43.1 Å²	43.1	23%	0.231	22%	0.22	C	C	.	.			trans	-67.8	128.1	171.7	0	0	0	0	0	110.3	C461 N463	C461-A484 HydrophobicContact CB-CB 4Å; N463-A484 HydrophobicContact CB-CB 3.94Å
485	R	98.7	Very high	97.9	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.23	C	C	.	.			trans	-153.4	159.4	-171.7	60.8	177.7	85	-155.4	4.1	113	G454 T462 M481 V483 F488 G501 V503 T504 S511 E513	G454-R485 PolarHBondContact N-O 2.82Å; T462-R485 PolarHBondContact O-N 2.89Å; M481-R485 HydrophobicContact CE-CG 3.88Å; M481-R485 HydrophobicContact SD-CG 4.36Å; V483-R485 PolarHBondContact O-N 3.19Å; V483-R485 PolarHBondContact O-NE 2.96Å; R485-F488 HydrophobicContact CB-CD1 4.15Å; R485-F488 HydrophobicContact CG-CD1 3.5Å; R485-F488 VanDerWaalsContact CG-CD1 3.5Å; R485-F488 HydrophobicContact CG-CE1 3.65Å; R485-F488 HydrophobicContact CG-CG 4Å; R485-F488 HydrophobicContact CG-CZ 4.24Å; R485-F488 WeakPolarHBondContact O-CE1 3.46Å; R485-G501 WeakPolarHBondContact CD-O 3.14Å; R485-G501 PolarHBondContact NH1-O 3.23Å; R485-V503 CarbonylContact C-O 3.53Å; R485-V503 WeakPolarHBondContact CA-O 3.46Å; R485-T504 HydrophobicContact CB-CG2 4.3Å; R485-S511 VanDerWaalsContact CZ-OG 3.32Å; R485-S511 PolarHBondContact NH1-O 2.84Å; R485-S511 PolarHBondContact NH1-OG 2.87Å; R485-S511 VanDerWaalsContact NH1-OG 3.16Å; R485-S511 PolarHBondContact NH2-OG 3.22Å; R485-E513 IonicContact CZ-OE1 3.51Å; R485-E513 IonicContact NE-OE1 3.48Å; R485-E513 IonicContact NH2-OE1 2.74Å; R485-E513 PolarHBondContact NH2-OE1 2.89Å
486	S	98.6	Very high	97.9	Very high	1 Å²	1	44 Å²	44	1%	0.007	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-136	166.1	172.4	59.4	0	0	0	0	110.4	G439 K455 F488 G502 V503	G439-S486 CarbonylContact O-C 3.45Å; G439-S486 WeakPolarHBondContact O-CA 3.34Å; G439-S486 WeakPolarHBondContact O-CB 3.47Å; K455-S486 WeakPolarHBondContact CE-OG 3.39Å; S486-F488 PolarHBondContact O-N 2.91Å; S486-G502 CarbonylContact O-C 3.46Å; S486-G502 VanDerWaalsContact O-CA 3.3Å; S486-G502 WeakPolarHBondContact O-CA 3.5Å; S486-V503 PolarHBondContact N-O 3.19Å; S486-V503 PolarHBondContact O-N 2.83Å; S486-V503 PolarHBondContact OG-O 3.29Å
487	M	98.1	Very high	97.9	Very high	60 Å²	60	38.2 Å²	38.2	30%	0.296	21%	0.213	S	C	.	.	S	Bend	trans	52.5	52.4	177	-51.5	-57.1	-63.2	0	0	112.4	L390 G439 G502 V503 S533 S534	L390-M487 HydrophobicContact CD2-CE 3.76Å; L390-M487 HydrophobicContact CD2-SD 3.95Å; G439-M487 PolarHBondContact O-N 2.95Å; M487-G502 WeakPolarHBondContact O-CA 3.45Å; M487-V503 HydrophobicContact CB-CG2 4.32Å; M487-S533 CarbonylContact O-C 3.58Å; M487-S533 WeakPolarHBondContact O-CA 3.32Å; M487-S534 PolarHBondContact O-N 3.15Å
488	F	98.7	Very high	97.9	Very high	15 Å²	15	34.1 Å²	34.1	7%	0.066	19%	0.191	C	C	.	.			trans	-123.7	159.6	-176.2	60.1	-88.2	0	0	0	111.1	A441 L452 M481 R485 S486 I499 G501	A441-F488 HydrophobicContact CB-CD2 3.96Å; A441-F488 HydrophobicContact CB-CE1 4.21Å; A441-F488 HydrophobicContact CB-CE2 3.34Å; A441-F488 HydrophobicContact CB-CZ 3.51Å; L452-F488 HydrophobicContact CB-CE2 4.37Å; L452-F488 HydrophobicContact CB-CZ 3.93Å; L452-F488 VanDerWaalsContact O-CZ 3.26Å; L452-F488 WeakPolarHBondContact O-CZ 3.28Å; M481-F488 HydrophobicContact CE-CZ 4.4Å; M481-F488 HydrophobicContact SD-CZ 4.19Å; R485-F488 HydrophobicContact CB-CD1 4.15Å; R485-F488 HydrophobicContact CG-CD1 3.5Å; R485-F488 VanDerWaalsContact CG-CD1 3.5Å; R485-F488 HydrophobicContact CG-CE1 3.65Å; R485-F488 HydrophobicContact CG-CG 4Å; R485-F488 HydrophobicContact CG-CZ 4.24Å; R485-F488 WeakPolarHBondContact O-CE1 3.46Å; S486-F488 PolarHBondContact O-N 2.91Å; F488-I499 HydrophobicContact CD2-CB 3.81Å; F488-I499 HydrophobicContact CD2-CG2 4.04Å; F488-I499 HydrophobicContact CE2-CB 3.88Å; F488-I499 HydrophobicContact CE2-CG2 3.62Å; F488-G501 VanDerWaalsContact CB-O 3.26Å; F488-G501 WeakPolarHBondContact CB-O 3.39Å
489	G	98.4	Very high	98	Very high	3 Å²	3	32.1 Å²	32.1	3%	0.031	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	145.8	178	0	0	0	0	0	112.2	I499 A500 I535	G489-I499 CarbonylContact O-C 3.6Å; G489-I499 VanDerWaalsContact O-CA 3.22Å; G489-I499 WeakPolarHBondContact O-CA 3.3Å; G489-A500 PolarHBondContact N-O 3.4Å; G489-A500 PolarHBondContact O-N 3.14Å; G489-I535 WeakPolarHBondContact CA-O 3.41Å; G489-I535 PolarHBondContact N-O 3.06Å
490	T	98.5	Very high	98	Very high	23 Å²	23	30.9 Å²	30.9	14%	0.141	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	140.6	175.1	-171.4	0	0	0	0	111.4	A441 I443 V498	A441-T490 HydrophobicContact CB-CG2 3.72Å; I443-T490 HydrophobicContact CB-CG2 4.1Å; T490-V498 CarbonylContact C-O 3.59Å; T490-V498 VanDerWaalsContact CA-O 3.27Å; T490-V498 WeakPolarHBondContact CA-O 3.31Å
491	A	98.4	Very high	98	Very high	5 Å²	5	27.6 Å²	27.6	4%	0.041	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	158.7	171.5	0	0	0	0	0	111.7	V498 L537 L544	A491-V498 PolarHBondContact N-O 3.25Å; A491-V498 PolarHBondContact O-N 3.31Å; A491-L537 HydrophobicContact CB-CB 3.65Å; A491-L544 HydrophobicContact CB-CD1 3.81Å
492	I	97.9	Very high	98	Very high	35 Å²	35	27.5 Å²	27.5	18%	0.179	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	118.2	167.1	-57.9	-59.4	0	0	0	108.7	I443 N445 K496 I497 T539	I443-I492 HydrophobicContact CD1-CG1 4.23Å; I443-I492 HydrophobicContact CG1-CD1 3.72Å; I443-I492 HydrophobicContact CG1-CG1 3.65Å; I443-I492 HydrophobicContact CG2-CD1 4.31Å; N445-I492 HydrophobicContact CB-CD1 3.88Å; N445-I492 HydrophobicContact CB-CG1 4.08Å; I492-K496 WeakPolarHBondContact CA-O 3.46Å; I492-I497 HydrophobicContact CD1-CB 4.41Å; I492-I497 HydrophobicContact CD1-CG1 3.56Å; I492-T539 VanDerWaalsContact O-CB 3.26Å; I492-T539 WeakPolarHBondContact O-CB 3.42Å; I492-T539 PolarHBondContact O-OG1 3.45Å
493	H	97.8	Very high	98	Very high	9 Å²	9	23.9 Å²	23.9	4%	0.042	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	124.3	175.6	-174.4	56	0	0	0	110.2	G495 K496 V498 G542 L544 D573	H493-G495 PolarHBondContact O-N 2.75Å; H493-G495 VanDerWaalsContact O-N 3.08Å; H493-K496 PolarHBondContact N-O 2.97Å; H493-K496 PolarHBondContact O-N 2.85Å; H493-V498 HydrophobicContact CB-CG2 3.89Å; H493-G542 PolarHBondContact CE1-O 3.09Å; H493-L544 HydrophobicContact CB-CB 4.41Å; H493-L544 HydrophobicContact CB-CD1 4.42Å; H493-L544 HydrophobicContact CB-CD2 4.41Å; H493-D573 IonicContact CD2-OD1 3.49Å; H493-D573 IonicContact CE1-OD1 2.73Å; H493-D573 IonicContact CE1-OD2 3.95Å; H493-D573 PolarHBondContact CE1-OD2 3.01Å; H493-D573 IonicContact NE2-OD1 3.15Å; H493-D573 PolarHBondContact NE2-OD1 2.73Å; H493-D573 IonicContact NE2-OD2 3.7Å; H493-D573 PolarHBondContact NE2-OD2 2.81Å
494	K	94.9	Very high	98.1	Very high	141 Å²	141	22.1 Å²	22.1	61%	0.613	13%	0.125	S	C	*	.	T	Hydrogen-bonded Turn	trans	45.7	42.4	179.6	-64.2	-177.4	178.7	175.8	0	114.4	K496 D573	K494-K496 VanDerWaalsContact C-N 3.35Å; K494-D573 WeakPolarHBondContact CE-OD1 3.41Å; K494-D573 VanDerWaalsContact CE-OD2 3.25Å; K494-D573 WeakPolarHBondContact CE-OD2 3.13Å; K494-D573 IonicContact NZ-OD1 2.63Å; K494-D573 PolarHBondContact NZ-OD1 2.76Å; K494-D573 IonicContact NZ-OD2 3.97Å; K494-D573 PolarHBondContact NZ-OD2 3.38Å
495	G	94.1	Very high	97.9	Very high	43 Å²	43	27.5 Å²	27.5	44%	0.443	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.9	9.4	178.1	0	0	0	0	0	115.4	H493 L517	H493-G495 PolarHBondContact O-N 2.75Å; H493-G495 VanDerWaalsContact O-N 3.08Å; G495-L517 WeakPolarHBondContact O-CD1 3.13Å; G495-L517 WeakPolarHBondContact O-CG 3.4Å
496	K	98.1	Very high	97.7	Very high	48 Å²	48	36.7 Å²	36.7	21%	0.209	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	148.5	175.9	-55.7	-170.1	-178.1	178.5	0	111	I492 H493 K494 A514 F515 D516 E523	I492-K496 WeakPolarHBondContact CA-O 3.46Å; H493-K496 PolarHBondContact N-O 2.97Å; H493-K496 PolarHBondContact O-N 2.85Å; K494-K496 VanDerWaalsContact C-N 3.35Å; K496-A514 HydrophobicContact CB-CB 4.24Å; K496-A514 HydrophobicContact CD-CB 4.11Å; K496-F515 CarbonylContact C-O 3.6Å; K496-F515 WeakPolarHBondContact CA-O 3.41Å; K496-F515 WeakPolarHBondContact CB-O 3.47Å; K496-D516 HydrophobicContact CD-CB 4.4Å; K496-D516 WeakPolarHBondContact CE-OD2 3.42Å; K496-D516 HydrophobicContact CG-CB 4.44Å; K496-E523 WeakPolarHBondContact CD-OE1 3.36Å; K496-E523 IonicContact NZ-OE1 2.98Å; K496-E523 PolarHBondContact NZ-OE1 2.86Å; K496-E523 IonicContact NZ-OE2 3.59Å; K496-E523 PolarHBondContact NZ-OE2 2.96Å
497	I	98.7	Very high	97.6	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	111.6	166.4	-59.7	169.4	0	0	0	106.9	I443 Y450 L452 I492 I499 A514 F515 L517	I443-I497 HydrophobicContact CG2-CD1 3.94Å; I443-I497 HydrophobicContact CG2-CG1 4.05Å; I443-I497 HydrophobicContact CG2-CG2 3.95Å; Y450-I497 HydrophobicContact CD1-CD1 3.67Å; Y450-I497 HydrophobicContact CD2-CD1 4.02Å; Y450-I497 HydrophobicContact CE1-CD1 4.18Å; Y450-I497 HydrophobicContact CG-CD1 3.58Å; L452-I497 HydrophobicContact CD2-CG2 3.99Å; I492-I497 HydrophobicContact CD1-CB 4.41Å; I492-I497 HydrophobicContact CD1-CG1 3.56Å; I497-I499 HydrophobicContact CG2-CG2 4.3Å; I497-A514 CarbonylContact O-C 3.35Å; I497-A514 WeakPolarHBondContact O-CA 3.49Å; I497-F515 HydrophobicContact CB-CB 4.21Å; I497-F515 HydrophobicContact CD1-CD1 4.06Å; I497-F515 PolarHBondContact N-O 3.01Å; I497-F515 PolarHBondContact O-N 2.79Å; I497-L517 HydrophobicContact CD1-CD2 3.8Å; I497-L517 HydrophobicContact CG1-CD2 4.01Å; I497-L517 HydrophobicContact CG1-CG 4.47Å
498	V	98.8	Very high	97.6	Very high	2 Å²	2	37 Å²	37	1%	0.012	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	132.2	175.3	-178.3	0	0	0	0	108.7	T490 A491 H493 V512 E513 A514 M525 L537 L544	T490-V498 CarbonylContact C-O 3.59Å; T490-V498 VanDerWaalsContact CA-O 3.27Å; T490-V498 WeakPolarHBondContact CA-O 3.31Å; A491-V498 PolarHBondContact N-O 3.25Å; A491-V498 PolarHBondContact O-N 3.31Å; H493-V498 HydrophobicContact CB-CG2 3.89Å; V498-V512 HydrophobicContact CG1-CG1 3.79Å; V498-E513 WeakPolarHBondContact CA-O 3.44Å; V498-A514 HydrophobicContact CG2-CB 4.19Å; V498-M525 HydrophobicContact CB-SD 4.49Å; V498-M525 HydrophobicContact CG1-SD 3.78Å; V498-M525 HydrophobicContact CG2-SD 3.92Å; V498-L537 HydrophobicContact CG1-CD1 4.18Å; V498-L544 HydrophobicContact CB-CD2 4.3Å; V498-L544 HydrophobicContact CG1-CD2 3.92Å; V498-L544 HydrophobicContact CG2-CD2 4.33Å
499	I	98.9	Very high	97.6	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	139.6	172.6	68.4	179.9	0	0	0	109.7	L452 M481 F488 G489 I497 V512 E513 W522	L452-I499 HydrophobicContact CD2-CG2 4.34Å; M481-I499 HydrophobicContact CB-CD1 4.46Å; M481-I499 HydrophobicContact CG-CD1 3.94Å; M481-I499 HydrophobicContact SD-CD1 3.31Å; M481-I499 WeakPolarHBondContact SD-CD1 3.45Å; F488-I499 HydrophobicContact CD2-CB 3.81Å; F488-I499 HydrophobicContact CD2-CG2 4.04Å; F488-I499 HydrophobicContact CE2-CB 3.88Å; F488-I499 HydrophobicContact CE2-CG2 3.62Å; G489-I499 CarbonylContact O-C 3.6Å; G489-I499 VanDerWaalsContact O-CA 3.22Å; G489-I499 WeakPolarHBondContact O-CA 3.3Å; I497-I499 HydrophobicContact CG2-CG2 4.3Å; I499-V512 VanDerWaalsContact O-CA 3.28Å; I499-V512 WeakPolarHBondContact O-CA 3.46Å; I499-V512 VanDerWaalsContact O-CG1 3.28Å; I499-V512 WeakPolarHBondContact O-CG1 3.3Å; I499-E513 HydrophobicContact CD1-CB 3.98Å; I499-E513 HydrophobicContact CD1-CG 4.4Å; I499-E513 HydrophobicContact CG1-CB 3.81Å; I499-E513 PolarHBondContact N-O 3.12Å; I499-E513 PolarHBondContact O-N 3.16Å; I499-W522 HydrophobicContact CD1-CH2 3.8Å; I499-W522 HydrophobicContact CD1-CZ3 3.64Å; I499-W522 HydrophobicContact CG1-CH2 4.32Å; I499-W522 HydrophobicContact CG1-CZ3 3.88Å; I499-W522 HydrophobicContact CG2-CH2 4.04Å; I499-W522 HydrophobicContact CG2-CZ3 4.28Å
500	A	98.8	Very high	97.5	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	136.7	179.8	0	0	0	0	0	112.4	G489 V512 I535 L537	G489-A500 PolarHBondContact N-O 3.4Å; G489-A500 PolarHBondContact O-N 3.14Å; A500-V512 HydrophobicContact CB-CG1 4.36Å; A500-V512 HydrophobicContact CB-CG2 3.99Å; A500-I535 HydrophobicContact CB-CD1 4.33Å; A500-L537 HydrophobicContact CB-CD1 3.76Å; A500-L537 HydrophobicContact CB-CD2 4.12Å; A500-L537 HydrophobicContact CB-CG 4.18Å
501	G	98.5	Very high	97.5	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.201	C	C	.	.			trans	65.7	-154.6	176.1	0	0	0	0	0	113.5	R485 F488 T509 S511 R532	R485-G501 WeakPolarHBondContact CD-O 3.14Å; R485-G501 PolarHBondContact NH1-O 3.23Å; F488-G501 VanDerWaalsContact CB-O 3.26Å; F488-G501 WeakPolarHBondContact CB-O 3.39Å; G501-T509 VanDerWaalsContact C-CG2 3.44Å; G501-T509 VanDerWaalsContact CA-O 3.22Å; G501-T509 WeakPolarHBondContact CA-O 3.31Å; G501-T509 WeakPolarHBondContact O-CG2 3.49Å; G501-S511 PolarHBondContact N-O 2.97Å; G501-S511 VanDerWaalsContact N-O 3.09Å; G501-R532 WeakPolarHBondContact CA-O 3.26Å
502	G	98.4	Very high	97.6	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.2	C	C	.	.			trans	123	-176.3	178.1	0	0	0	0	0	114.4	S486 M487 L508 T509 R532	S486-G502 CarbonylContact O-C 3.46Å; S486-G502 VanDerWaalsContact O-CA 3.3Å; S486-G502 WeakPolarHBondContact O-CA 3.5Å; M487-G502 WeakPolarHBondContact O-CA 3.45Å; G502-L508 WeakPolarHBondContact O-CA 3.28Å; G502-T509 PolarHBondContact O-N 3.48Å; G502-R532 PolarHBondContact N-O 3.02Å
503	V	98.4	Very high	97.6	Very high	34 Å²	34	35.5 Å²	35.5	21%	0.206	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-107.6	124.2	168.5	-174.6	0	0	0	0	108.2	C461 R485 S486 M487 L508	C461-V503 PolarHBondContact SG-O 3.02Å; C461-V503 VanDerWaalsContact SG-O 3.36Å; R485-V503 CarbonylContact C-O 3.53Å; R485-V503 WeakPolarHBondContact CA-O 3.46Å; S486-V503 PolarHBondContact N-O 3.19Å; S486-V503 PolarHBondContact O-N 2.83Å; S486-V503 PolarHBondContact OG-O 3.29Å; M487-V503 HydrophobicContact CB-CG2 4.32Å; V503-L508 HydrophobicContact CG2-CD2 4.08Å
504	T	98.3	Very high	97.6	Very high	18 Å²	18	35.1 Å²	35.1	11%	0.11	19%	0.19	C	C	.	.			trans	-107.2	-175.1	175.1	70.8	0	0	0	0	109.9	V483 R485 E506 G507 T509	V483-T504 HydrophobicContact CG1-CG2 3.67Å; R485-T504 HydrophobicContact CB-CG2 4.3Å; T504-E506 PolarHBondContact O-N 3.14Å; T504-E506 PolarHBondContact OG1-N 2.73Å; T504-E506 VanDerWaalsContact OG1-N 3.1Å; T504-G507 PolarHBondContact N-O 2.78Å; T504-G507 PolarHBondContact OG1-N 3.05Å; T504-G507 PolarHBondContact OG1-O 2.82Å; T504-G507 VanDerWaalsContact OG1-O 3.06Å; T504-T509 HydrophobicContact CG2-CG2 3.67Å
505	E	95.6	Very high	97.8	Very high	140 Å²	140	28.6 Å²	28.6	65%	0.654	16%	0.162	S	C	*	.	S	Bend	trans	-68.2	-20.8	170.2	-61.5	-164.5	158.2	0	0	112.9
506	E	94.8	Very high	98	Very high	193 Å²	193	28.2 Å²	28.2	90%	0.902	15%	0.15	S	C	*	.	S	Bend	trans	-93.4	-7.7	-179	-63.1	179.2	-179.2	0	0	113.1	T504	T504-E506 PolarHBondContact O-N 3.14Å; T504-E506 PolarHBondContact OG1-N 2.73Å; T504-E506 VanDerWaalsContact OG1-N 3.1Å
507	G	95.4	Very high	97.7	Very high	29 Å²	29	28 Å²	28	30%	0.299	15%	0.151	S	C	.	.	S	Bend	trans	122.1	-152.4	-177.2	0	0	0	0	0	112.8	T504	T504-G507 PolarHBondContact N-O 2.78Å; T504-G507 PolarHBondContact OG1-N 3.05Å; T504-G507 PolarHBondContact OG1-O 2.82Å; T504-G507 VanDerWaalsContact OG1-O 3.06Å
508	L	97.8	Very high	97.5	Very high	38 Å²	38	34.3 Å²	34.3	20%	0.199	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-64.8	151.5	174	-61.7	-179.2	0	0	0	109.9	G502 V503 E531 M552	G502-L508 WeakPolarHBondContact O-CA 3.28Å; V503-L508 HydrophobicContact CG2-CD2 4.08Å; L508-E531 HydrophobicContact CB-CB 3.76Å; L508-M552 HydrophobicContact CD1-CG 3.95Å
509	T	98.3	Very high	97.3	Very high	20 Å²	20	37.9 Å²	37.9	12%	0.123	21%	0.211	C	C	.	.			trans	-130.8	150.9	175.3	-173.9	0	0	0	0	110.7	G501 G502 T504 S511 R532	G501-T509 VanDerWaalsContact C-CG2 3.44Å; G501-T509 VanDerWaalsContact CA-O 3.22Å; G501-T509 WeakPolarHBondContact CA-O 3.31Å; G501-T509 WeakPolarHBondContact O-CG2 3.49Å; G502-T509 PolarHBondContact O-N 3.48Å; T504-T509 HydrophobicContact CG2-CG2 3.67Å; T509-S511 WeakPolarHBondContact OG1-CB 3.32Å; T509-S511 PolarHBondContact OG1-N 3.49Å; T509-S511 VanDerWaalsContact OG1-N 3.12Å; T509-S511 PolarHBondContact OG1-OG 2.89Å; T509-R532 PolarHBondContact O-N 3.17Å
510	A	98.4	Very high	97.2	Very high	10 Å²	10	41.2 Å²	41.2	8%	0.083	23%	0.229	C	C	.	.			trans	-99.1	-4.6	169.7	0	0	0	0	0	112.2	E527 F528 E531	A510-E527 HydrophobicContact CB-CB 4.34Å; A510-F528 WeakPolarHBondContact CB-O 3.48Å; A510-F528 PolarHBondContact O-N 3.24Å; A510-E531 HydrophobicContact CB-CG 3.88Å
511	S	98.5	Very high	97.1	Very high	15 Å²	15	48.1 Å²	48.1	11%	0.105	26%	0.259	C	S	.	.			trans	-63	139.2	-172	61.9	0	0	0	0	112.6	R485 G501 T509	R485-S511 VanDerWaalsContact CZ-OG 3.32Å; R485-S511 PolarHBondContact NH1-O 2.84Å; R485-S511 PolarHBondContact NH1-OG 2.87Å; R485-S511 VanDerWaalsContact NH1-OG 3.16Å; R485-S511 PolarHBondContact NH2-OG 3.22Å; G501-S511 PolarHBondContact N-O 2.97Å; G501-S511 VanDerWaalsContact N-O 3.09Å; T509-S511 WeakPolarHBondContact OG1-CB 3.32Å; T509-S511 PolarHBondContact OG1-N 3.49Å; T509-S511 VanDerWaalsContact OG1-N 3.12Å; T509-S511 PolarHBondContact OG1-OG 2.89Å
512	V	98.8	Very high	97.1	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.012	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	128.8	175.8	-172.5	0	0	0	0	108.6	V498 I499 A500 M525 P526 F528 W578	V498-V512 HydrophobicContact CG1-CG1 3.79Å; I499-V512 VanDerWaalsContact O-CA 3.28Å; I499-V512 WeakPolarHBondContact O-CA 3.46Å; I499-V512 VanDerWaalsContact O-CG1 3.28Å; I499-V512 WeakPolarHBondContact O-CG1 3.3Å; A500-V512 HydrophobicContact CB-CG1 4.36Å; A500-V512 HydrophobicContact CB-CG2 3.99Å; V512-M525 HydrophobicContact CB-CB 3.88Å; V512-M525 HydrophobicContact CG1-CB 3.64Å; V512-M525 HydrophobicContact CG1-CG 4.37Å; V512-M525 HydrophobicContact CG1-SD 4.06Å; V512-M525 PolarHBondContact O-N 2.74Å; V512-P526 WeakPolarHBondContact CB-O 3.19Å; V512-P526 WeakPolarHBondContact CG2-O 2.87Å; V512-F528 HydrophobicContact CG2-CB 4.15Å; V512-W578 HydrophobicContact CG2-CZ2 4.41Å
513	E	98.7	Very high	97.1	Very high	3 Å²	3	53 Å²	53	1%	0.014	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	149.1	176.7	-53.7	-179.3	-128.6	0	0	110	K482 V483 R485 V498 I499 W522 E523	K482-E513 WeakPolarHBondContact CB-OE2 3.5Å; K482-E513 WeakPolarHBondContact CG-OE2 3.47Å; K482-E513 PolarHBondContact N-OE2 3.04Å; V483-E513 PolarHBondContact N-OE1 3.09Å; R485-E513 IonicContact CZ-OE1 3.51Å; R485-E513 IonicContact NE-OE1 3.48Å; R485-E513 IonicContact NH2-OE1 2.74Å; R485-E513 PolarHBondContact NH2-OE1 2.89Å; V498-E513 WeakPolarHBondContact CA-O 3.44Å; I499-E513 HydrophobicContact CD1-CB 3.98Å; I499-E513 HydrophobicContact CD1-CG 4.4Å; I499-E513 HydrophobicContact CG1-CB 3.81Å; I499-E513 PolarHBondContact N-O 3.12Å; I499-E513 PolarHBondContact O-N 3.16Å; E513-W522 HydrophobicContact CB-CE3 3.57Å; E513-W522 HydrophobicContact CB-CZ3 3.81Å; E513-E523 CarbonylContact C-O 3.59Å; E513-E523 WeakPolarHBondContact CA-O 3.46Å
514	A	98.6	Very high	97.1	Very high	1 Å²	1	57.1 Å²	57.1	1%	0.008	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	130.6	173.7	0	0	0	0	0	111.1	K496 I497 V498 W522 E523 M525	K496-A514 HydrophobicContact CB-CB 4.24Å; K496-A514 HydrophobicContact CD-CB 4.11Å; I497-A514 CarbonylContact O-C 3.35Å; I497-A514 WeakPolarHBondContact O-CA 3.49Å; V498-A514 HydrophobicContact CG2-CB 4.19Å; A514-W522 VanDerWaalsContact C-CE3 3.5Å; A514-W522 CarbonylContact O-C 3.52Å; A514-W522 WeakPolarHBondContact O-CA 3.19Å; A514-E523 HydrophobicContact CB-CG 3.79Å; A514-E523 PolarHBondContact N-O 2.83Å; A514-E523 WeakPolarHBondContact O-CG 3.25Å; A514-E523 PolarHBondContact O-N 2.86Å; A514-M525 HydrophobicContact CB-CG 4Å; A514-M525 HydrophobicContact CB-SD 3.67Å
515	F	98.7	Very high	97.1	Very high	4 Å²	4	57.2 Å²	57.2	2%	0.018	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	117	174.8	179.4	-107.8	0	0	0	110.4	L478 A479 K496 I497 L517 N520 W522	L478-F515 HydrophobicContact CB-CZ 4.16Å; L478-F515 HydrophobicContact CD1-CE1 3.93Å; L478-F515 HydrophobicContact CD1-CZ 3.91Å; A479-F515 HydrophobicContact CB-CE2 4.23Å; K496-F515 CarbonylContact C-O 3.6Å; K496-F515 WeakPolarHBondContact CA-O 3.41Å; K496-F515 WeakPolarHBondContact CB-O 3.47Å; I497-F515 HydrophobicContact CB-CB 4.21Å; I497-F515 HydrophobicContact CD1-CD1 4.06Å; I497-F515 PolarHBondContact N-O 3.01Å; I497-F515 PolarHBondContact O-N 2.79Å; F515-L517 HydrophobicContact CD1-CD2 3.91Å; F515-L517 HydrophobicContact CE1-CD2 3.9Å; F515-L517 PolarHBondContact O-N 2.71Å; F515-N520 HydrophobicContact CE2-CB 4.45Å; F515-N520 VanDerWaalsContact CE2-OD1 3.27Å; F515-N520 WeakPolarHBondContact CE2-OD1 3.33Å; F515-N520 HydrophobicContact CZ-CB 4.26Å; F515-N520 WeakPolarHBondContact CZ-OD1 3.47Å; F515-W522 HydrophobicContact CB-CD2 3.75Å; F515-W522 HydrophobicContact CB-CE3 3.73Å; F515-W522 HydrophobicContact CB-CH2 3.6Å; F515-W522 HydrophobicContact CB-CZ2 3.57Å; F515-W522 HydrophobicContact CB-CZ3 3.67Å; F515-W522 AromaticContact CD2-CD1 3.73Å; F515-W522 AromaticContact CD2-CD2 3.99Å; F515-W522 HydrophobicContact CD2-CD2 3.99Å; F515-W522 AromaticContact CD2-CE2 3.59Å; F515-W522 HydrophobicContact CD2-CG 4.08Å; F515-W522 HydrophobicContact CD2-CZ2 4.09Å; F515-W522 AromaticContact CD2-NE1 3.39Å; F515-W522 HydrophobicContact CG-CD2 4.33Å; F515-W522 AromaticContact CG-CE2 3.93Å; F515-W522 HydrophobicContact CG-CH2 4.49Å; F515-W522 HydrophobicContact CG-CZ2 4Å
516	D	97.3	Very high	97.2	Very high	35 Å²	35	52.5 Å²	52.5	19%	0.187	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	112.9	175.7	-174.7	-57	0	0	0	110.3	K496 T518 T519 N520 K521	K496-D516 HydrophobicContact CD-CB 4.4Å; K496-D516 WeakPolarHBondContact CE-OD2 3.42Å; K496-D516 HydrophobicContact CG-CB 4.44Å; D516-T518 PolarHBondContact O-N 3.34Å; D516-T518 WeakPolarHBondContact OD1-CA 3.44Å; D516-T518 VanDerWaalsContact OD1-CB 3.3Å; D516-T518 WeakPolarHBondContact OD1-CB 3.41Å; D516-T518 PolarHBondContact OD1-N 2.76Å; D516-T519 WeakPolarHBondContact CB-OG1 3.26Å; D516-T519 PolarHBondContact O-N 3.16Å; D516-T519 PolarHBondContact OD1-N 3.25Å; D516-T519 PolarHBondContact OD1-OG1 3.15Å; D516-N520 WeakPolarHBondContact O-CA 3.22Å; D516-N520 PolarHBondContact O-N 3.11Å; D516-K521 PolarHBondContact N-O 2.93Å
517	L	92.7	Very high	97.4	Very high	44 Å²	44	49.7 Å²	49.7	23%	0.23	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-18.9	-176.7	-68.8	175.9	0	0	0	113.9	N445 Y450 G495 I497 F515	N445-L517 HydrophobicContact CB-CD1 4.49Å; N445-L517 WeakPolarHBondContact ND2-CD1 3.45Å; Y450-L517 HydrophobicContact CE1-CD2 3.71Å; Y450-L517 HydrophobicContact CE2-CD2 4.38Å; G495-L517 WeakPolarHBondContact O-CD1 3.13Å; G495-L517 WeakPolarHBondContact O-CG 3.4Å; I497-L517 HydrophobicContact CD1-CD2 3.8Å; I497-L517 HydrophobicContact CG1-CD2 4.01Å; I497-L517 HydrophobicContact CG1-CG 4.47Å; F515-L517 HydrophobicContact CD1-CD2 3.91Å; F515-L517 HydrophobicContact CE1-CD2 3.9Å; F515-L517 PolarHBondContact O-N 2.71Å
518	T	93.8	Very high	97.5	Very high	133 Å²	133	48.5 Å²	48.5	82%	0.816	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-41.9	179.8	-51.3	0	0	0	0	110.7	D516	D516-T518 PolarHBondContact O-N 3.34Å; D516-T518 WeakPolarHBondContact OD1-CA 3.44Å; D516-T518 VanDerWaalsContact OD1-CB 3.3Å; D516-T518 WeakPolarHBondContact OD1-CB 3.41Å; D516-T518 PolarHBondContact OD1-N 2.76Å
519	T	95.9	Very high	97.5	Very high	76 Å²	76	50 Å²	50	47%	0.466	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-10.8	-173.6	67.7	0	0	0	0	114	D516 K521	D516-T519 WeakPolarHBondContact CB-OG1 3.26Å; D516-T519 PolarHBondContact O-N 3.16Å; D516-T519 PolarHBondContact OD1-N 3.25Å; D516-T519 PolarHBondContact OD1-OG1 3.15Å; T519-K521 VanDerWaalsContact C-N 3.32Å; T519-K521 PolarHBondContact O-N 2.82Å
520	N	95.6	Very high	97.5	Very high	71 Å²	71	52.4 Å²	52.4	38%	0.38	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.5	46.1	-174.9	-174.8	35.7	0	0	0	111.5	A479 F515 D516	A479-N520 VanDerWaalsContact CB-O 3.23Å; A479-N520 WeakPolarHBondContact CB-O 3.47Å; A479-N520 WeakPolarHBondContact CB-OD1 3.42Å; A479-N520 PolarHBondContact N-OD1 3.05Å; F515-N520 HydrophobicContact CE2-CB 4.45Å; F515-N520 VanDerWaalsContact CE2-OD1 3.27Å; F515-N520 WeakPolarHBondContact CE2-OD1 3.33Å; F515-N520 HydrophobicContact CZ-CB 4.26Å; F515-N520 WeakPolarHBondContact CZ-OD1 3.47Å; D516-N520 WeakPolarHBondContact O-CA 3.22Å; D516-N520 PolarHBondContact O-N 3.11Å
521	K	97.8	Very high	97.5	Very high	145 Å²	145	57.1 Å²	57.1	63%	0.63	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.5	147.1	-178	-69.9	-179.7	-177.9	-178.9	0	111.7	D516 T519	D516-K521 PolarHBondContact N-O 2.93Å; T519-K521 VanDerWaalsContact C-N 3.32Å; T519-K521 PolarHBondContact O-N 2.82Å
522	W	98.6	Very high	97.4	Very high	23 Å²	23	56.6 Å²	56.6	9%	0.087	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	131.1	174.7	-71.9	94.1	0	0	0	111.9	L452 V465 A479 P480 M481 K482 I499 E513 A514 F515	L452-W522 HydrophobicContact CD2-CH2 3.78Å; L452-W522 HydrophobicContact CD2-CZ2 3.92Å; V465-W522 HydrophobicContact CG2-CZ2 3.86Å; A479-W522 PolarHBondContact O-NE1 2.85Å; P480-W522 PolarHBondContact O-NE1 2.64Å; M481-W522 HydrophobicContact CB-CZ2 4.35Å; M481-W522 HydrophobicContact CG-CD2 4.44Å; M481-W522 HydrophobicContact CG-CH2 3.7Å; M481-W522 HydrophobicContact CG-CZ2 3.36Å; M481-W522 HydrophobicContact CG-CZ3 4.38Å; M481-W522 HydrophobicContact SD-CH2 4.26Å; M481-W522 HydrophobicContact SD-CZ2 4.38Å; K482-W522 VanDerWaalsContact CE-O 3.26Å; K482-W522 WeakPolarHBondContact CE-O 3.47Å; K482-W522 HydrophobicContact CG-CB 4.4Å; K482-W522 PolarHBondContact NZ-O 3.42Å; I499-W522 HydrophobicContact CD1-CH2 3.8Å; I499-W522 HydrophobicContact CD1-CZ3 3.64Å; I499-W522 HydrophobicContact CG1-CH2 4.32Å; I499-W522 HydrophobicContact CG1-CZ3 3.88Å; I499-W522 HydrophobicContact CG2-CH2 4.04Å; I499-W522 HydrophobicContact CG2-CZ3 4.28Å; E513-W522 HydrophobicContact CB-CE3 3.57Å; E513-W522 HydrophobicContact CB-CZ3 3.81Å; A514-W522 VanDerWaalsContact C-CE3 3.5Å; A514-W522 CarbonylContact O-C 3.52Å; A514-W522 WeakPolarHBondContact O-CA 3.19Å; F515-W522 HydrophobicContact CB-CD2 3.75Å; F515-W522 HydrophobicContact CB-CE3 3.73Å; F515-W522 HydrophobicContact CB-CH2 3.6Å; F515-W522 HydrophobicContact CB-CZ2 3.57Å; F515-W522 HydrophobicContact CB-CZ3 3.67Å; F515-W522 AromaticContact CD2-CD1 3.73Å; F515-W522 AromaticContact CD2-CD2 3.99Å; F515-W522 HydrophobicContact CD2-CD2 3.99Å; F515-W522 AromaticContact CD2-CE2 3.59Å; F515-W522 HydrophobicContact CD2-CG 4.08Å; F515-W522 HydrophobicContact CD2-CZ2 4.09Å; F515-W522 AromaticContact CD2-NE1 3.39Å; F515-W522 HydrophobicContact CG-CD2 4.33Å; F515-W522 AromaticContact CG-CE2 3.93Å; F515-W522 HydrophobicContact CG-CH2 4.49Å; F515-W522 HydrophobicContact CG-CZ2 4Å
523	E	97.7	Very high	97.4	Very high	79 Å²	79	57.3 Å²	57.3	37%	0.369	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	152.8	169	66.8	-174.4	-161.8	0	0	110.5	K496 E513 A514	K496-E523 WeakPolarHBondContact CD-OE1 3.36Å; K496-E523 IonicContact NZ-OE1 2.98Å; K496-E523 PolarHBondContact NZ-OE1 2.86Å; K496-E523 IonicContact NZ-OE2 3.59Å; K496-E523 PolarHBondContact NZ-OE2 2.96Å; E513-E523 CarbonylContact C-O 3.59Å; E513-E523 WeakPolarHBondContact CA-O 3.46Å; A514-E523 HydrophobicContact CB-CG 3.79Å; A514-E523 PolarHBondContact N-O 2.83Å; A514-E523 WeakPolarHBondContact O-CG 3.25Å; A514-E523 PolarHBondContact O-N 2.86Å
524	I	98	Very high	97.4	Very high	121 Å²	121	59.1 Å²	59.1	62%	0.621	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.1	133.7	173.8	-69.8	157.9	0	0	0	107.5	K482	K482-I524 HydrophobicContact CD-CD1 4.05Å; K482-I524 HydrophobicContact CD-CG1 3.9Å
525	M	98	Very high	97.3	Very high	19 Å²	19	59.3 Å²	59.3	9%	0.094	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	165	171.4	-75.7	-173.6	72.2	0	0	110.1	V498 V512 A514 E527 Y571	V498-M525 HydrophobicContact CB-SD 4.49Å; V498-M525 HydrophobicContact CG1-SD 3.78Å; V498-M525 HydrophobicContact CG2-SD 3.92Å; V512-M525 HydrophobicContact CB-CB 3.88Å; V512-M525 HydrophobicContact CG1-CB 3.64Å; V512-M525 HydrophobicContact CG1-CG 4.37Å; V512-M525 HydrophobicContact CG1-SD 4.06Å; V512-M525 PolarHBondContact O-N 2.74Å; A514-M525 HydrophobicContact CB-CG 4Å; A514-M525 HydrophobicContact CB-SD 3.67Å; M525-E527 PolarHBondContact O-N 3.38Å; M525-Y571 HydrophobicContact CE-CD1 4Å; M525-Y571 HydrophobicContact CE-CD2 4.35Å; M525-Y571 HydrophobicContact CE-CE1 3.42Å; M525-Y571 VanDerWaalsContact CE-CE1 3.42Å; M525-Y571 HydrophobicContact CE-CE2 3.84Å; M525-Y571 HydrophobicContact CE-CG 4.43Å
526	P	98.1	Very high	97.3	Very high	42 Å²	42	60.6 Å²	60.6	27%	0.273	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-51.1	131.3	169.5	-24.2	32.2	0	0	0	111.6	V512 Y571 K576 W578	V512-P526 WeakPolarHBondContact CB-O 3.19Å; V512-P526 WeakPolarHBondContact CG2-O 2.87Å; P526-Y571 HydrophobicContact CB-CE2 4.43Å; P526-Y571 HydrophobicContact CG-CE2 4Å; P526-K576 WeakPolarHBondContact CB-O 3.35Å; P526-K576 HydrophobicContact CG-CB 3.71Å; P526-K576 WeakPolarHBondContact CG-O 3.47Å; P526-W578 PolarHBondContact O-NE1 3.39Å
527	E	98.4	Very high	97.4	Very high	134 Å²	134	59.6 Å²	59.6	63%	0.626	32%	0.316	S	S	*	.	P	Polyproline II helix	trans	-60.9	148.7	-179.6	-62.3	-172.3	154.5	0	0	111.4	A510 M525 W578	A510-E527 HydrophobicContact CB-CB 4.34Å; M525-E527 PolarHBondContact O-N 3.38Å; E527-W578 VanDerWaalsContact O-CD1 3.27Å
528	F	98.5	Very high	97.7	Very high	4 Å²	4	57.8 Å²	57.8	2%	0.018	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-68.3	144.1	173.6	-167.6	-115.1	0	0	0	109.3	A510 V512 Q530 R532 I535 A546 W569 W578	A510-F528 WeakPolarHBondContact CB-O 3.48Å; A510-F528 PolarHBondContact O-N 3.24Å; V512-F528 HydrophobicContact CG2-CB 4.15Å; F528-Q530 VanDerWaalsContact CD1-O 3.25Å; F528-Q530 WeakPolarHBondContact CD1-O 3.49Å; F528-Q530 PolarHBondContact O-N 2.81Å; F528-R532 HydrophobicContact CE1-CG 4.37Å; F528-I535 HydrophobicContact CD1-CD1 3.62Å; F528-I535 HydrophobicContact CE1-CD1 3.91Å; F528-I535 HydrophobicContact CG-CD1 4.1Å; F528-A546 HydrophobicContact CD2-CB 4.4Å; F528-A546 HydrophobicContact CE2-CB 3.61Å; F528-A546 HydrophobicContact CZ-CB 4.08Å; F528-W569 HydrophobicContact CE2-CB 3.88Å; F528-W569 HydrophobicContact CE2-CD2 4.38Å; F528-W569 AromaticContact CE2-CG 3.82Å; F528-W569 HydrophobicContact CE2-CG 3.82Å; F528-W569 HydrophobicContact CZ-CB 4.28Å; F528-W569 AromaticContact CZ-CD1 3.59Å; F528-W569 HydrophobicContact CZ-CD2 4.39Å; F528-W569 AromaticContact CZ-CG 3.83Å; F528-W569 HydrophobicContact CZ-CG 3.83Å; F528-W578 AromaticContact CD2-CD2 3.79Å; F528-W578 HydrophobicContact CD2-CD2 3.79Å; F528-W578 AromaticContact CD2-CE2 3.9Å; F528-W578 HydrophobicContact CD2-CE3 4.07Å; F528-W578 HydrophobicContact CD2-CG 4.14Å; F528-W578 HydrophobicContact CD2-CZ2 4.27Å; F528-W578 HydrophobicContact CD2-CZ3 4.42Å; F528-W578 HydrophobicContact CE2-CD2 4.17Å; F528-W578 HydrophobicContact CE2-CE3 4.02Å; F528-W578 HydrophobicContact CE2-CZ3 4.34Å
529	P	97.6	Very high	97.8	Very high	69 Å²	69	53.4 Å²	53.4	45%	0.448	28%	0.28	S	S	.	.	S	Bend	trans	-63.7	-9.9	-171	-29.2	40.3	0	0	0	116.4	W569 W578	P529-W569 HydrophobicContact CB-CH2 3.81Å; P529-W569 HydrophobicContact CB-CZ2 4.23Å; P529-W569 HydrophobicContact CB-CZ3 4.02Å; P529-W569 HydrophobicContact CG-CD2 4.35Å; P529-W569 HydrophobicContact CG-CE3 3.76Å; P529-W569 HydrophobicContact CG-CH2 3.85Å; P529-W569 HydrophobicContact CG-CZ2 4.4Å; P529-W569 HydrophobicContact CG-CZ3 3.51Å; P529-W578 HydrophobicContact CG-CB 3.67Å; P529-W578 HydrophobicContact CG-CG 4.37Å
530	Q	97.2	Very high	97.9	Very high	70 Å²	70	50.4 Å²	50.4	33%	0.327	26%	0.261	S	S	.	.	S	Bend	trans	-147.3	143	178.4	-172.1	176.9	37.9	0	0	110.1	F528 R532 A551	F528-Q530 VanDerWaalsContact CD1-O 3.25Å; F528-Q530 WeakPolarHBondContact CD1-O 3.49Å; F528-Q530 PolarHBondContact O-N 2.81Å; Q530-R532 HydrophobicContact CB-CG 4.34Å; Q530-R532 HydrophobicContact CG-CG 4.29Å; Q530-R532 PolarHBondContact O-N 3.12Å; Q530-R532 VanDerWaalsContact OE1-CZ 3.24Å; Q530-A551 HydrophobicContact CG-CB 4.25Å
531	E	98.3	Very high	97.7	Very high	109 Å²	109	50.2 Å²	50.2	51%	0.509	28%	0.276	S	S	.	.			trans	-68.3	121.3	172	-59.3	-179.8	166	0	0	110.3	L508 A510	L508-E531 HydrophobicContact CB-CB 3.76Å; A510-E531 HydrophobicContact CB-CG 3.88Å
532	R	98.3	Very high	97.5	Very high	4 Å²	4	45.7 Å²	45.7	2%	0.015	27%	0.27	C	S	.	.			trans	-142.8	148.9	-179	-57.4	-167.7	-175.9	164	1.2	112.3	G501 G502 T509 F528 Q530 I535 G548 F550 A551 D567	G501-R532 WeakPolarHBondContact CA-O 3.26Å; G502-R532 PolarHBondContact N-O 3.02Å; T509-R532 PolarHBondContact O-N 3.17Å; F528-R532 HydrophobicContact CE1-CG 4.37Å; Q530-R532 HydrophobicContact CB-CG 4.34Å; Q530-R532 HydrophobicContact CG-CG 4.29Å; Q530-R532 PolarHBondContact O-N 3.12Å; Q530-R532 VanDerWaalsContact OE1-CZ 3.24Å; R532-I535 HydrophobicContact CB-CD1 3.96Å; R532-I535 HydrophobicContact CB-CG1 3.72Å; R532-G548 WeakPolarHBondContact CD-O 3.23Å; R532-G548 PolarHBondContact NH1-O 3Å; R532-F550 CarbonylContact C-O 3.52Å; R532-F550 VanDerWaalsContact CA-O 3.26Å; R532-F550 WeakPolarHBondContact CA-O 3.42Å; R532-A551 HydrophobicContact CG-CB 4.04Å; R532-D567 IonicContact CZ-OD1 2.73Å; R532-D567 IonicContact CZ-OD2 2.9Å; R532-D567 IonicContact NH1-OD1 2.61Å; R532-D567 PolarHBondContact NH1-OD1 2.88Å; R532-D567 IonicContact NH1-OD2 3.03Å; R532-D567 IonicContact NH2-OD1 3.34Å; R532-D567 PolarHBondContact NH2-OD1 3.36Å; R532-D567 IonicContact NH2-OD2 2.66Å; R532-D567 PolarHBondContact NH2-OD2 3.28Å
533	S	98.2	Very high	97.4	Very high	17 Å²	17	45.7 Å²	45.7	12%	0.119	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-99.4	161.4	162.9	61.1	0	0	0	0	110.6	M487 I535 G549 F550	M487-S533 CarbonylContact O-C 3.58Å; M487-S533 WeakPolarHBondContact O-CA 3.32Å; S533-I535 PolarHBondContact O-N 2.92Å; S533-I535 VanDerWaalsContact O-N 3.15Å; S533-G549 CarbonylContact O-C 3.59Å; S533-G549 WeakPolarHBondContact O-CA 3.42Å; S533-F550 PolarHBondContact N-O 3.15Å; S533-F550 PolarHBondContact O-N 3.44Å
534	S	97.6	Very high	97.5	Very high	41 Å²	41	42 Å²	42	29%	0.287	26%	0.256	S	S	.	.	S	Bend	trans	52.6	35.4	176	-49.8	0	0	0	0	114.3	M487 S536 G549	M487-S534 PolarHBondContact O-N 3.15Å; S534-S536 PolarHBondContact O-N 2.93Å; S534-G549 WeakPolarHBondContact O-CA 3.48Å
535	I	98.3	Very high	97.5	Very high	5 Å²	5	36.5 Å²	36.5	3%	0.026	23%	0.228	C	C	.	.			trans	-60.9	133	168.8	-59.6	174.9	0	0	0	107.9	G489 A500 F528 R532 S533 L537 A546	G489-I535 WeakPolarHBondContact CA-O 3.41Å; G489-I535 PolarHBondContact N-O 3.06Å; A500-I535 HydrophobicContact CB-CD1 4.33Å; F528-I535 HydrophobicContact CD1-CD1 3.62Å; F528-I535 HydrophobicContact CE1-CD1 3.91Å; F528-I535 HydrophobicContact CG-CD1 4.1Å; R532-I535 HydrophobicContact CB-CD1 3.96Å; R532-I535 HydrophobicContact CB-CG1 3.72Å; S533-I535 PolarHBondContact O-N 2.92Å; S533-I535 VanDerWaalsContact O-N 3.15Å; I535-L537 HydrophobicContact CG2-CD2 4.13Å; I535-L537 HydrophobicContact CG2-CG 4.44Å; I535-A546 HydrophobicContact CG2-CB 3.8Å
536	S	98.3	Very high	97.5	Very high	31 Å²	31	35.6 Å²	35.6	22%	0.217	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	114.6	168.6	-70.7	0	0	0	0	109.5	S534 A546 I547 C593	S534-S536 PolarHBondContact O-N 2.93Å; S536-A546 CarbonylContact O-C 3.57Å; S536-A546 WeakPolarHBondContact O-CA 3.32Å; S536-I547 PolarHBondContact N-O 2.8Å; S536-I547 PolarHBondContact O-N 3.1Å; S536-C593 VanDerWaalsContact CB-SG 3.54Å
537	L	98.6	Very high	97.6	Very high	14 Å²	14	33.8 Å²	33.8	7%	0.073	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	132.8	172.3	-70.4	-176.1	0	0	0	110.2	A491 V498 A500 I535 L544 Y545 A546 W578	A491-L537 HydrophobicContact CB-CB 3.65Å; V498-L537 HydrophobicContact CG1-CD1 4.18Å; A500-L537 HydrophobicContact CB-CD1 3.76Å; A500-L537 HydrophobicContact CB-CD2 4.12Å; A500-L537 HydrophobicContact CB-CG 4.18Å; I535-L537 HydrophobicContact CG2-CD2 4.13Å; I535-L537 HydrophobicContact CG2-CG 4.44Å; L537-L544 HydrophobicContact CB-CD1 4.4Å; L537-L544 HydrophobicContact CD2-CD1 4.42Å; L537-Y545 WeakPolarHBondContact CA-O 3.45Å; L537-A546 HydrophobicContact CD2-CB 3.67Å; L537-W578 HydrophobicContact CD2-CH2 4.01Å
538	V	98.1	Very high	97.5	Very high	7 Å²	7	27.6 Å²	27.6	4%	0.042	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	141.5	175	-57.6	0	0	0	0	110.5	I306 Y545 I547 C593	I306-V538 HydrophobicContact CD1-CG2 3.89Å; I306-V538 HydrophobicContact CG1-CG2 4.13Å; I306-V538 HydrophobicContact CG2-CG2 4.35Å; V538-Y545 PolarHBondContact N-O 3.13Å; V538-Y545 PolarHBondContact O-N 2.93Å; V538-I547 HydrophobicContact CB-CD1 4.4Å; V538-I547 HydrophobicContact CG1-CD1 4.13Å; V538-I547 HydrophobicContact CG2-CD1 3.45Å; V538-I547 VanDerWaalsContact CG2-CD1 3.45Å; V538-C593 HydrophobicContact CG1-CB 4.1Å
539	T	97.9	Very high	97.5	Very high	41 Å²	41	27.7 Å²	27.7	25%	0.252	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	119.3	172.8	-58.4	0	0	0	0	108.8	I492 S543 A595	I492-T539 VanDerWaalsContact O-CB 3.26Å; I492-T539 WeakPolarHBondContact O-CB 3.42Å; I492-T539 PolarHBondContact O-OG1 3.45Å; T539-S543 CarbonylContact C-O 3.54Å; T539-S543 WeakPolarHBondContact CA-O 3.32Å; T539-A595 VanDerWaalsContact O-CB 3.27Å; T539-A595 WeakPolarHBondContact O-CB 3.06Å
540	L	96.8	Very high	97.5	Very high	13 Å²	13	28.1 Å²	28.1	7%	0.068	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	129	-176.4	-166.5	83.1	0	0	0	109.8	D304 L305 I306 P319 G542 S543 Y545 A595	D304-L540 HydrophobicContact CB-CD1 3.73Å; D304-L540 HydrophobicContact CB-CG 4.1Å; L305-L540 WeakPolarHBondContact O-CD1 3.32Å; I306-L540 HydrophobicContact CG1-CD2 3.89Å; P319-L540 HydrophobicContact CG-CD2 3.69Å; L540-G542 PolarHBondContact O-N 3.21Å; L540-G542 VanDerWaalsContact O-N 3.07Å; L540-S543 PolarHBondContact N-O 3.19Å; L540-S543 PolarHBondContact O-N 2.69Å; L540-Y545 HydrophobicContact CB-CD2 4.07Å; L540-Y545 HydrophobicContact CB-CE2 3.92Å; L540-A595 HydrophobicContact CD1-CB 3.76Å
541	G	91.8	Very high	97.5	Very high	67 Å²	67	24.8 Å²	24.8	69%	0.691	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	55	30.5	178.3	0	0	0	0	0	114	S543	G541-S543 VanDerWaalsContact C-N 3.29Å; G541-S543 PolarHBondContact O-N 3.29Å
542	G	93.8	Very high	97.3	Very high	49 Å²	49	23.9 Å²	23.9	51%	0.505	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.2	5	-176.4	0	0	0	0	0	115.8	H493 L540	H493-G542 PolarHBondContact CE1-O 3.09Å; L540-G542 PolarHBondContact O-N 3.21Å; L540-G542 VanDerWaalsContact O-N 3.07Å
543	S	96.6	Very high	96.9	Very high	24 Å²	24	26.6 Å²	26.6	17%	0.168	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	145.2	174	-65.2	0	0	0	0	111.2	T539 L540 G541 K570	T539-S543 CarbonylContact C-O 3.54Å; T539-S543 WeakPolarHBondContact CA-O 3.32Å; L540-S543 PolarHBondContact N-O 3.19Å; L540-S543 PolarHBondContact O-N 2.69Å; G541-S543 VanDerWaalsContact C-N 3.29Å; G541-S543 PolarHBondContact O-N 3.29Å; S543-K570 WeakPolarHBondContact OG-CE 3.46Å; S543-K570 PolarHBondContact OG-NZ 3.42Å
544	L	98.6	Very high	96.6	Very high	0 Å²	0	31 Å²	31	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	127.8	175.2	177.2	66.4	0	0	0	110.3	A491 H493 V498 L537 Y571 W578	A491-L544 HydrophobicContact CB-CD1 3.81Å; H493-L544 HydrophobicContact CB-CB 4.41Å; H493-L544 HydrophobicContact CB-CD1 4.42Å; H493-L544 HydrophobicContact CB-CD2 4.41Å; V498-L544 HydrophobicContact CB-CD2 4.3Å; V498-L544 HydrophobicContact CG1-CD2 3.92Å; V498-L544 HydrophobicContact CG2-CD2 4.33Å; L537-L544 HydrophobicContact CB-CD1 4.4Å; L537-L544 HydrophobicContact CD2-CD1 4.42Å; L544-Y571 PolarHBondContact O-N 3.28Å; L544-W578 HydrophobicContact CD2-CH2 4Å; L544-W578 HydrophobicContact CG-CH2 4.24Å
545	Y	98.7	Very high	96.1	Very high	6 Å²	6	32.5 Å²	32.5	2%	0.024	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	147.2	177.9	-63.7	-93.9	0	0	0	110.9	I306 P319 L537 V538 L540 I568 W569 K570 I581	I306-Y545 HydrophobicContact CD1-CD2 4.5Å; I306-Y545 HydrophobicContact CD1-CG 4.23Å; P319-Y545 HydrophobicContact CB-CD1 4.46Å; P319-Y545 HydrophobicContact CB-CE1 3.72Å; P319-Y545 HydrophobicContact CG-CE1 3.97Å; P319-Y545 HydrophobicContact CG-CE2 4.34Å; L537-Y545 WeakPolarHBondContact CA-O 3.45Å; V538-Y545 PolarHBondContact N-O 3.13Å; V538-Y545 PolarHBondContact O-N 2.93Å; L540-Y545 HydrophobicContact CB-CD2 4.07Å; L540-Y545 HydrophobicContact CB-CE2 3.92Å; Y545-I568 HydrophobicContact CD1-CG2 4.15Å; Y545-W569 CarbonylContact C-O 3.55Å; Y545-W569 VanDerWaalsContact CA-O 3.22Å; Y545-W569 WeakPolarHBondContact CA-O 3.45Å; Y545-K570 HydrophobicContact CD1-CB 4Å; Y545-K570 HydrophobicContact CD1-CG 4.22Å; Y545-K570 HydrophobicContact CE1-CB 3.93Å; Y545-K570 HydrophobicContact CE1-CD 3.96Å; Y545-K570 HydrophobicContact CE1-CG 3.88Å; Y545-I581 HydrophobicContact CD1-CD1 3.85Å; Y545-I581 HydrophobicContact CE1-CD1 3.65Å
546	A	98.7	Very high	95.6	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	125.1	170.4	0	0	0	0	0	108.9	F528 I535 S536 L537 I568 W569 W578	F528-A546 HydrophobicContact CD2-CB 4.4Å; F528-A546 HydrophobicContact CE2-CB 3.61Å; F528-A546 HydrophobicContact CZ-CB 4.08Å; I535-A546 HydrophobicContact CG2-CB 3.8Å; S536-A546 CarbonylContact O-C 3.57Å; S536-A546 WeakPolarHBondContact O-CA 3.32Å; L537-A546 HydrophobicContact CD2-CB 3.67Å; A546-I568 WeakPolarHBondContact O-CA 3.49Å; A546-W569 HydrophobicContact CB-CB 4.32Å; A546-W569 PolarHBondContact N-O 2.79Å; A546-W569 PolarHBondContact O-N 2.83Å; A546-W578 HydrophobicContact CB-CE3 4.38Å; A546-W578 HydrophobicContact CB-CH2 4.05Å; A546-W578 HydrophobicContact CB-CZ3 3.62Å
547	I	98.7	Very high	95	Very high	4 Å²	4	44 Å²	44	2%	0.021	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	123.2	-179.4	-56.2	97.8	0	0	0	108.9	I306 L308 S536 V538 I568 A588 C593	I306-I547 HydrophobicContact CD1-CD1 4.37Å; I306-I547 HydrophobicContact CG2-CD1 4.29Å; L308-I547 HydrophobicContact CD2-CG2 4.38Å; S536-I547 PolarHBondContact N-O 2.8Å; S536-I547 PolarHBondContact O-N 3.1Å; V538-I547 HydrophobicContact CB-CD1 4.4Å; V538-I547 HydrophobicContact CG1-CD1 4.13Å; V538-I547 HydrophobicContact CG2-CD1 3.45Å; V538-I547 VanDerWaalsContact CG2-CD1 3.45Å; I547-I568 HydrophobicContact CG1-CG1 4.11Å; I547-I568 HydrophobicContact CG1-CG2 4.17Å; I547-I568 HydrophobicContact CG2-CG1 4.24Å; I547-A588 HydrophobicContact CG2-CB 3.87Å; I547-C593 HydrophobicContact CD1-CB 4.19Å
548	G	97.8	Very high	94.4	Very high	4 Å²	4	51.1 Å²	51.1	4%	0.041	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	58.4	-133.8	166.8	0	0	0	0	0	116.7	R532 V565 D567	R532-G548 WeakPolarHBondContact CD-O 3.23Å; R532-G548 PolarHBondContact NH1-O 3Å; G548-V565 CarbonylContact C-O 3.59Å; G548-V565 WeakPolarHBondContact CA-O 3.14Å; G548-D567 PolarHBondContact N-O 3.36Å
549	G	97.6	Very high	94	Very high	6 Å²	6	57.3 Å²	57.3	6%	0.062	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	100.5	177	-173	0	0	0	0	0	113.2	S533 S534 V565	S533-G549 CarbonylContact O-C 3.59Å; S533-G549 WeakPolarHBondContact O-CA 3.42Å; S534-G549 WeakPolarHBondContact O-CA 3.48Å; G549-V565 PolarHBondContact N-O 3.35Å; G549-V565 PolarHBondContact O-N 3.28Å
550	F	97.6	Very high	93.6	Very high	78 Å²	78	61.4 Å²	61.4	34%	0.342	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	125	-178	-68.5	-98.6	0	0	0	111	R532 S533 S563 E564	R532-F550 CarbonylContact C-O 3.52Å; R532-F550 VanDerWaalsContact CA-O 3.26Å; R532-F550 WeakPolarHBondContact CA-O 3.42Å; S533-F550 PolarHBondContact N-O 3.15Å; S533-F550 PolarHBondContact O-N 3.44Å; F550-S563 WeakPolarHBondContact CA-O 3.44Å; F550-E564 HydrophobicContact CD1-CB 4.09Å; F550-E564 HydrophobicContact CE1-CB 3.67Å; F550-E564 HydrophobicContact CE1-CG 4.26Å; F550-E564 HydrophobicContact CE2-CG 4.45Å; F550-E564 HydrophobicContact CZ-CB 3.99Å; F550-E564 HydrophobicContact CZ-CG 4.08Å
551	A	96.6	Very high	93.3	Very high	1 Å²	1	62 Å²	62	1%	0.008	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	160.4	178.2	0	0	0	0	0	110.9	Q530 R532 I553 P562 S563 V565	Q530-A551 HydrophobicContact CG-CB 4.25Å; R532-A551 HydrophobicContact CG-CB 4.04Å; A551-I553 HydrophobicContact CB-CG1 4.23Å; A551-I553 PolarHBondContact O-N 3.41Å; A551-P562 WeakPolarHBondContact O-CA 3.34Å; A551-S563 PolarHBondContact N-O 3.32Å; A551-S563 PolarHBondContact O-N 3.09Å; A551-V565 HydrophobicContact CB-CG2 4.1Å
552	M	93.9	Very high	93.2	Very high	90 Å²	90	63.4 Å²	63.4	44%	0.443	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	111.4	165.8	-66.4	-58.8	-70.4	0	0	109.1	L508 F560 P562	L508-M552 HydrophobicContact CD1-CG 3.95Å; M552-F560 HydrophobicContact CB-CD1 4.49Å; M552-F560 HydrophobicContact CE-CB 3.96Å; M552-P562 HydrophobicContact SD-CB 4.24Å; M552-P562 HydrophobicContact SD-CG 3.69Å
553	I	91.4	Very high	93.3	Very high	60 Å²	60	62.4 Å²	62.4	31%	0.308	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	138.7	-179.4	-56	-175.8	0	0	0	109.2	A551 L555 F560 A561 V565	A551-I553 HydrophobicContact CB-CG1 4.23Å; A551-I553 PolarHBondContact O-N 3.41Å; I553-L555 PolarHBondContact O-N 2.83Å; I553-F560 WeakPolarHBondContact O-CA 3.4Å; I553-A561 PolarHBondContact N-O 2.93Å; I553-A561 PolarHBondContact O-N 2.96Å; I553-V565 HydrophobicContact CD1-CG2 3.79Å
554	Q	90.9	Very high	93.2	Very high	110 Å²	110	64.6 Å²	64.6	51%	0.514	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	117.3	171.7	-169.8	171.2	31.3	0	0	109.8	K558 E559 F560	Q554-K558 PolarHBondContact NE2-O 2.82Å; Q554-K558 VanDerWaalsContact NE2-O 3.13Å; Q554-E559 CarbonylContact C-O 3.56Å; Q554-E559 WeakPolarHBondContact CA-O 3.39Å; Q554-F560 HydrophobicContact CB-CD1 4.15Å; Q554-F560 HydrophobicContact CB-CE1 3.8Å; Q554-F560 HydrophobicContact CB-CE2 4.23Å; Q554-F560 HydrophobicContact CB-CZ 3.84Å; Q554-F560 HydrophobicContact CG-CE2 4.19Å; Q554-F560 HydrophobicContact CG-CZ 4.23Å
555	L	86.4	Confident	93.2	Very high	72 Å²	72	65.7 Å²	65.7	38%	0.377	33%	0.334	S	S	.	.			trans	-74.8	167.7	175.4	-58.2	-179.7	0	0	0	110.9	I553 S557 K558 E559 A561	I553-L555 PolarHBondContact O-N 2.83Å; L555-S557 PolarHBondContact O-N 2.85Å; L555-S557 VanDerWaalsContact O-N 3.13Å; L555-K558 WeakPolarHBondContact O-CA 3.27Å; L555-K558 PolarHBondContact O-N 3.05Å; L555-E559 PolarHBondContact N-O 3.48Å; L555-A561 HydrophobicContact CD1-CB 3.71Å; L555-A561 HydrophobicContact CD2-CB 4.41Å; L555-A561 HydrophobicContact CG-CB 4.07Å
556	E	87.8	Confident	93.1	Very high	204 Å²	204	66.2 Å²	66.2	95%	0.953	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-29	173.1	-64.2	-175.1	168.6	0	0	112.5	K558	E556-K558 PolarHBondContact O-N 2.86Å; E556-K558 VanDerWaalsContact O-N 3.13Å
557	S	85.7	Confident	93.1	Very high	74 Å²	74	67 Å²	67	52%	0.517	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-2.8	172.9	62.3	0	0	0	0	114.2	L555 E559	L555-S557 PolarHBondContact O-N 2.85Å; L555-S557 VanDerWaalsContact O-N 3.13Å; S557-E559 PolarHBondContact O-N 2.89Å
558	K	87.1	Confident	93.1	Very high	164 Å²	164	66.8 Å²	66.8	71%	0.713	34%	0.341	S	S	*	.	S	Bend	trans	66.8	1.6	-171.3	-55.8	179.4	178.1	177.9	0	115.1	Q554 L555 E556	Q554-K558 PolarHBondContact NE2-O 2.82Å; Q554-K558 VanDerWaalsContact NE2-O 3.13Å; L555-K558 WeakPolarHBondContact O-CA 3.27Å; L555-K558 PolarHBondContact O-N 3.05Å; E556-K558 PolarHBondContact O-N 2.86Å; E556-K558 VanDerWaalsContact O-N 3.13Å
559	E	90.5	Very high	93.1	Very high	136 Å²	136	69.1 Å²	69.1	64%	0.636	35%	0.349	S	S	*	.			trans	-80.7	150.2	172.3	-64.1	-177.7	160.1	0	0	111	Q554 L555 S557	Q554-E559 CarbonylContact C-O 3.56Å; Q554-E559 WeakPolarHBondContact CA-O 3.39Å; L555-E559 PolarHBondContact N-O 3.48Å; S557-E559 PolarHBondContact O-N 2.89Å
560	F	89.1	Confident	93.2	Very high	127 Å²	127	71.9 Å²	71.9	56%	0.557	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.4	127.4	174.3	-75.6	-97.2	0	0	0	110.1	M552 I553 Q554	M552-F560 HydrophobicContact CB-CD1 4.49Å; M552-F560 HydrophobicContact CE-CB 3.96Å; I553-F560 WeakPolarHBondContact O-CA 3.4Å; Q554-F560 HydrophobicContact CB-CD1 4.15Å; Q554-F560 HydrophobicContact CB-CE1 3.8Å; Q554-F560 HydrophobicContact CB-CE2 4.23Å; Q554-F560 HydrophobicContact CB-CZ 3.84Å; Q554-F560 HydrophobicContact CG-CE2 4.19Å; Q554-F560 HydrophobicContact CG-CZ 4.23Å
561	A	89.9	Confident	93.2	Very high	26 Å²	26	68.7 Å²	68.7	22%	0.215	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	146	176.5	0	0	0	0	0	111.3	I553 L555 S563	I553-A561 PolarHBondContact N-O 2.93Å; I553-A561 PolarHBondContact O-N 2.96Å; L555-A561 HydrophobicContact CD1-CB 3.71Å; L555-A561 HydrophobicContact CD2-CB 4.41Å; L555-A561 HydrophobicContact CG-CB 4.07Å; A561-S563 PolarHBondContact O-N 2.83Å; A561-S563 VanDerWaalsContact O-N 3.12Å; A561-S563 PolarHBondContact O-OG 3.3Å
562	P	89.8	Confident	93.2	Very high	97 Å²	97	70.6 Å²	70.6	63%	0.63	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.3	117.3	167.5	-17.8	29.3	0	0	0	109.3	A551 M552	A551-P562 WeakPolarHBondContact O-CA 3.34Å; M552-P562 HydrophobicContact SD-CB 4.24Å; M552-P562 HydrophobicContact SD-CG 3.69Å
563	S	95.1	Very high	93.3	Very high	28 Å²	28	68.6 Å²	68.6	20%	0.196	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	139.6	-177.2	-59.6	0	0	0	0	109.3	F550 A551 A561	F550-S563 WeakPolarHBondContact CA-O 3.44Å; A551-S563 PolarHBondContact N-O 3.32Å; A551-S563 PolarHBondContact O-N 3.09Å; A561-S563 PolarHBondContact O-N 2.83Å; A561-S563 VanDerWaalsContact O-N 3.12Å; A561-S563 PolarHBondContact O-OG 3.3Å
564	E	96.1	Very high	93.6	Very high	69 Å²	69	74.5 Å²	74.5	32%	0.322	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	135.5	174.3	-170.2	172.6	-152.1	0	0	109.8	F550 T566 T589 G590	F550-E564 HydrophobicContact CD1-CB 4.09Å; F550-E564 HydrophobicContact CE1-CB 3.67Å; F550-E564 HydrophobicContact CE1-CG 4.26Å; F550-E564 HydrophobicContact CE2-CG 4.45Å; F550-E564 HydrophobicContact CZ-CB 3.99Å; F550-E564 HydrophobicContact CZ-CG 4.08Å; E564-T566 HydrophobicContact CG-CG2 4.37Å; E564-T589 VanDerWaalsContact OE2-CG2 3.23Å; E564-T589 WeakPolarHBondContact OE2-CG2 3.35Å; E564-G590 PolarHBondContact OE1-N 3.28Å
565	V	97.1	Very high	93.9	Very high	23 Å²	23	75.7 Å²	75.7	14%	0.139	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	143.1	169.8	-171.3	0	0	0	0	107.4	G548 G549 A551 I553 D567	G548-V565 CarbonylContact C-O 3.59Å; G548-V565 WeakPolarHBondContact CA-O 3.14Å; G549-V565 PolarHBondContact N-O 3.35Å; G549-V565 PolarHBondContact O-N 3.28Å; A551-V565 HydrophobicContact CB-CG2 4.1Å; I553-V565 HydrophobicContact CD1-CG2 3.79Å; V565-D567 HydrophobicContact CG1-CB 4.12Å; V565-D567 VanDerWaalsContact CG1-CG 3.49Å
566	T	97.6	Very high	94.4	Very high	17 Å²	17	79 Å²	79	10%	0.104	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	30.7	-176.9	56.1	0	0	0	0	111.7	E564 E584 I585 A588	E564-T566 HydrophobicContact CG-CG2 4.37Å; T566-E584 CarbonylContact O-C 3.59Å; T566-I585 WeakPolarHBondContact CB-O 3.39Å; T566-I585 WeakPolarHBondContact O-CG2 3.26Å; T566-I585 PolarHBondContact O-N 2.8Å; T566-A588 HydrophobicContact CG2-CB 4.27Å
567	D	98.1	Very high	94.8	Very high	16 Å²	16	73.3 Å²	73.3	9%	0.086	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	167	174.2	64	3.1	0	0	0	111	R532 G548 V565 W569 L582 K583	R532-D567 IonicContact CZ-OD1 2.73Å; R532-D567 IonicContact CZ-OD2 2.9Å; R532-D567 IonicContact NH1-OD1 2.61Å; R532-D567 PolarHBondContact NH1-OD1 2.88Å; R532-D567 IonicContact NH1-OD2 3.03Å; R532-D567 IonicContact NH2-OD1 3.34Å; R532-D567 PolarHBondContact NH2-OD1 3.36Å; R532-D567 IonicContact NH2-OD2 2.66Å; R532-D567 PolarHBondContact NH2-OD2 3.28Å; G548-D567 PolarHBondContact N-O 3.36Å; V565-D567 HydrophobicContact CG1-CB 4.12Å; V565-D567 VanDerWaalsContact CG1-CG 3.49Å; D567-W569 PolarHBondContact OD2-NE1 3.38Å; D567-L582 CarbonylContact C-O 3.57Å; D567-L582 VanDerWaalsContact CA-O 3.28Å; D567-L582 WeakPolarHBondContact CA-O 3.49Å; D567-L582 VanDerWaalsContact CB-O 3.25Å; D567-L582 WeakPolarHBondContact CB-O 3.26Å; D567-K583 WeakPolarHBondContact CB-O 3.33Å
568	I	98.4	Very high	95.4	Very high	0 Å²	0	70.9 Å²	70.9	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	131.9	174.9	-53.9	176.7	0	0	0	108.9	Y317 Y545 A546 I547 I581 L582 I585	Y317-I568 HydrophobicContact CD1-CD1 3.64Å; Y317-I568 HydrophobicContact CE1-CD1 3.21Å; Y545-I568 HydrophobicContact CD1-CG2 4.15Å; A546-I568 WeakPolarHBondContact O-CA 3.49Å; I547-I568 HydrophobicContact CG1-CG1 4.11Å; I547-I568 HydrophobicContact CG1-CG2 4.17Å; I547-I568 HydrophobicContact CG2-CG1 4.24Å; I568-I581 HydrophobicContact CB-CD1 4.09Å; I568-I581 HydrophobicContact CB-CG1 3.78Å; I568-I581 HydrophobicContact CG2-CD1 3.49Å; I568-I581 VanDerWaalsContact CG2-CD1 3.49Å; I568-I581 HydrophobicContact CG2-CG1 3.56Å; I568-I581 WeakPolarHBondContact O-CG1 3.39Å; I568-I581 PolarHBondContact O-N 3.15Å; I568-L582 HydrophobicContact CB-CB 4.17Å; I568-L582 HydrophobicContact CD1-CD2 4.21Å; I568-L582 HydrophobicContact CG1-CB 4.43Å; I568-L582 PolarHBondContact N-O 3.06Å; I568-L582 PolarHBondContact O-N 3.23Å; I568-L582 VanDerWaalsContact O-N 3.16Å; I568-I585 HydrophobicContact CD1-CD1 4.44Å; I568-I585 HydrophobicContact CD1-CG2 3.78Å; I568-I585 HydrophobicContact CG1-CG2 3.88Å
569	W	98.6	Very high	95.9	Very high	53 Å²	53	65.3 Å²	65.3	20%	0.201	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	149.4	175.8	-65	75.4	0	0	0	110.1	F528 P529 Y545 A546 D567 W578 S579 G580	F528-W569 HydrophobicContact CE2-CB 3.88Å; F528-W569 HydrophobicContact CE2-CD2 4.38Å; F528-W569 AromaticContact CE2-CG 3.82Å; F528-W569 HydrophobicContact CE2-CG 3.82Å; F528-W569 HydrophobicContact CZ-CB 4.28Å; F528-W569 AromaticContact CZ-CD1 3.59Å; F528-W569 HydrophobicContact CZ-CD2 4.39Å; F528-W569 AromaticContact CZ-CG 3.83Å; F528-W569 HydrophobicContact CZ-CG 3.83Å; P529-W569 HydrophobicContact CB-CH2 3.81Å; P529-W569 HydrophobicContact CB-CZ2 4.23Å; P529-W569 HydrophobicContact CB-CZ3 4.02Å; P529-W569 HydrophobicContact CG-CD2 4.35Å; P529-W569 HydrophobicContact CG-CE3 3.76Å; P529-W569 HydrophobicContact CG-CH2 3.85Å; P529-W569 HydrophobicContact CG-CZ2 4.4Å; P529-W569 HydrophobicContact CG-CZ3 3.51Å; Y545-W569 CarbonylContact C-O 3.55Å; Y545-W569 VanDerWaalsContact CA-O 3.22Å; Y545-W569 WeakPolarHBondContact CA-O 3.45Å; A546-W569 HydrophobicContact CB-CB 4.32Å; A546-W569 PolarHBondContact N-O 2.79Å; A546-W569 PolarHBondContact O-N 2.83Å; D567-W569 PolarHBondContact OD2-NE1 3.38Å; W569-W578 HydrophobicContact CB-CE3 4.03Å; W569-W578 HydrophobicContact CE3-CB 4.02Å; W569-S579 CarbonylContact C-O 3.57Å; W569-S579 WeakPolarHBondContact CA-O 3.34Å; W569-G580 VanDerWaalsContact CE3-CA 3.46Å; W569-G580 VanDerWaalsContact CZ3-N 3.31Å
570	K	98.4	Very high	96.2	Very high	64 Å²	64	61.2 Å²	61.2	28%	0.278	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	134.5	174	-176.4	-177.8	179.1	177.4	0	109.4	S543 Y545 S579 I581	S543-K570 WeakPolarHBondContact OG-CE 3.46Å; S543-K570 PolarHBondContact OG-NZ 3.42Å; Y545-K570 HydrophobicContact CD1-CB 4Å; Y545-K570 HydrophobicContact CD1-CG 4.22Å; Y545-K570 HydrophobicContact CE1-CB 3.93Å; Y545-K570 HydrophobicContact CE1-CD 3.96Å; Y545-K570 HydrophobicContact CE1-CG 3.88Å; K570-S579 PolarHBondContact N-O 3.04Å; K570-S579 PolarHBondContact O-N 3.3Å; K570-I581 HydrophobicContact CB-CG2 3.71Å
571	Y	98.5	Very high	96.6	Very high	11 Å²	11	58.1 Å²	58.1	4%	0.043	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	127.1	172	-176.2	-108.7	0	0	0	110.6	M525 P526 L544 K576 W578	M525-Y571 HydrophobicContact CE-CD1 4Å; M525-Y571 HydrophobicContact CE-CD2 4.35Å; M525-Y571 HydrophobicContact CE-CE1 3.42Å; M525-Y571 VanDerWaalsContact CE-CE1 3.42Å; M525-Y571 HydrophobicContact CE-CE2 3.84Å; M525-Y571 HydrophobicContact CE-CG 4.43Å; P526-Y571 HydrophobicContact CB-CE2 4.43Å; P526-Y571 HydrophobicContact CG-CE2 4Å; L544-Y571 PolarHBondContact O-N 3.28Å; Y571-K576 WeakPolarHBondContact OH-CA 3.3Å; Y571-W578 HydrophobicContact CD2-CD2 4.07Å; Y571-W578 AromaticContact CD2-CE2 3.86Å; Y571-W578 HydrophobicContact CD2-CG 4.36Å; Y571-W578 HydrophobicContact CD2-CZ2 4.25Å; Y571-W578 AromaticContact CD2-NE1 4Å
572	D	97.5	Very high	96.9	Very high	42 Å²	42	58.7 Å²	58.7	23%	0.225	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	110.2	171.4	-173.4	-41.5	0	0	0	109	E574 K575 K576 E577	D572-E574 VanDerWaalsContact C-N 3.33Å; D572-E574 PolarHBondContact O-N 3.34Å; D572-E574 PolarHBondContact OD1-N 3.28Å; D572-K575 HydrophobicContact CB-CB 4.25Å; D572-K575 PolarHBondContact OD1-N 2.83Å; D572-K575 WeakPolarHBondContact OD2-CD 3.37Å; D572-K575 IonicContact OD2-NZ 3.74Å; D572-K576 WeakPolarHBondContact O-CA 3.49Å; D572-K576 PolarHBondContact O-N 2.56Å; D572-E577 HydrophobicContact CB-CG 4.2Å; D572-E577 PolarHBondContact N-O 2.94Å; D572-E577 PolarHBondContact O-N 2.78Å
573	D	96.2	Very high	97.2	Very high	48 Å²	48	63.2 Å²	63.2	26%	0.257	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-31	-178.5	-74.2	-84.2	0	0	0	114.1	H493 K494	H493-D573 IonicContact CD2-OD1 3.49Å; H493-D573 IonicContact CE1-OD1 2.73Å; H493-D573 IonicContact CE1-OD2 3.95Å; H493-D573 PolarHBondContact CE1-OD2 3.01Å; H493-D573 IonicContact NE2-OD1 3.15Å; H493-D573 PolarHBondContact NE2-OD1 2.73Å; H493-D573 IonicContact NE2-OD2 3.7Å; H493-D573 PolarHBondContact NE2-OD2 2.81Å; K494-D573 WeakPolarHBondContact CE-OD1 3.41Å; K494-D573 VanDerWaalsContact CE-OD2 3.25Å; K494-D573 WeakPolarHBondContact CE-OD2 3.13Å; K494-D573 IonicContact NZ-OD1 2.63Å; K494-D573 PolarHBondContact NZ-OD1 2.76Å; K494-D573 IonicContact NZ-OD2 3.97Å; K494-D573 PolarHBondContact NZ-OD2 3.38Å
574	E	96.3	Very high	97.3	Very high	184 Å²	184	68.6 Å²	68.6	86%	0.86	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-45	-176.4	-64	-171.1	167.6	0	0	110.3	D572	D572-E574 VanDerWaalsContact C-N 3.33Å; D572-E574 PolarHBondContact O-N 3.34Å; D572-E574 PolarHBondContact OD1-N 3.28Å
575	K	96.9	Very high	97.3	Very high	135 Å²	135	65.7 Å²	65.7	59%	0.587	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-18.7	180	-62.3	-179.9	-167.8	160.2	0	113.5	D572 E577	D572-K575 HydrophobicContact CB-CB 4.25Å; D572-K575 PolarHBondContact OD1-N 2.83Å; D572-K575 WeakPolarHBondContact OD2-CD 3.37Å; D572-K575 IonicContact OD2-NZ 3.74Å; K575-E577 HydrophobicContact CB-CG 3.81Å; K575-E577 HydrophobicContact CD-CG 4.32Å; K575-E577 WeakPolarHBondContact CD-OE1 3.41Å; K575-E577 IonicContact NZ-OE1 2.62Å
576	K	96.9	Very high	97.3	Very high	142 Å²	142	72.7 Å²	72.7	62%	0.617	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	55.9	-173	-57.7	-178.3	177	-178.3	0	110.9	P526 Y571 D572	P526-K576 WeakPolarHBondContact CB-O 3.35Å; P526-K576 HydrophobicContact CG-CB 3.71Å; P526-K576 WeakPolarHBondContact CG-O 3.47Å; Y571-K576 WeakPolarHBondContact OH-CA 3.3Å; D572-K576 WeakPolarHBondContact O-CA 3.49Å; D572-K576 PolarHBondContact O-N 2.56Å
577	E	97.5	Very high	97.3	Very high	84 Å²	84	74 Å²	74	39%	0.393	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	157.3	178.9	70.7	-173.5	-174.2	0	0	111.7	D572 K575	D572-E577 HydrophobicContact CB-CG 4.2Å; D572-E577 PolarHBondContact N-O 2.94Å; D572-E577 PolarHBondContact O-N 2.78Å; K575-E577 HydrophobicContact CB-CG 3.81Å; K575-E577 HydrophobicContact CD-CG 4.32Å; K575-E577 WeakPolarHBondContact CD-OE1 3.41Å; K575-E577 IonicContact NZ-OE1 2.62Å
578	W	98.4	Very high	97.3	Very high	22 Å²	22	73.5 Å²	73.5	8%	0.083	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	126.9	172.8	-69.2	95.9	0	0	0	109.9	V512 P526 E527 F528 P529 L537 L544 A546 W569 Y571	V512-W578 HydrophobicContact CG2-CZ2 4.41Å; P526-W578 PolarHBondContact O-NE1 3.39Å; E527-W578 VanDerWaalsContact O-CD1 3.27Å; F528-W578 AromaticContact CD2-CD2 3.79Å; F528-W578 HydrophobicContact CD2-CD2 3.79Å; F528-W578 AromaticContact CD2-CE2 3.9Å; F528-W578 HydrophobicContact CD2-CE3 4.07Å; F528-W578 HydrophobicContact CD2-CG 4.14Å; F528-W578 HydrophobicContact CD2-CZ2 4.27Å; F528-W578 HydrophobicContact CD2-CZ3 4.42Å; F528-W578 HydrophobicContact CE2-CD2 4.17Å; F528-W578 HydrophobicContact CE2-CE3 4.02Å; F528-W578 HydrophobicContact CE2-CZ3 4.34Å; P529-W578 HydrophobicContact CG-CB 3.67Å; P529-W578 HydrophobicContact CG-CG 4.37Å; L537-W578 HydrophobicContact CD2-CH2 4.01Å; L544-W578 HydrophobicContact CD2-CH2 4Å; L544-W578 HydrophobicContact CG-CH2 4.24Å; A546-W578 HydrophobicContact CB-CE3 4.38Å; A546-W578 HydrophobicContact CB-CH2 4.05Å; A546-W578 HydrophobicContact CB-CZ3 3.62Å; W569-W578 HydrophobicContact CB-CE3 4.03Å; W569-W578 HydrophobicContact CE3-CB 4.02Å; Y571-W578 HydrophobicContact CD2-CD2 4.07Å; Y571-W578 AromaticContact CD2-CE2 3.86Å; Y571-W578 HydrophobicContact CD2-CG 4.36Å; Y571-W578 HydrophobicContact CD2-CZ2 4.25Å; Y571-W578 AromaticContact CD2-NE1 4Å
579	S	97.6	Very high	97.3	Very high	47 Å²	47	76.6 Å²	76.6	33%	0.329	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	126.1	176.1	-67.1	0	0	0	0	110.3	W569 K570 I581	W569-S579 CarbonylContact C-O 3.57Å; W569-S579 WeakPolarHBondContact CA-O 3.34Å; K570-S579 PolarHBondContact N-O 3.04Å; K570-S579 PolarHBondContact O-N 3.3Å; S579-I581 PolarHBondContact O-N 3.13Å
580	G	96.8	Very high	97.2	Very high	50 Å²	50	76 Å²	76	52%	0.515	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	121.6	175	0	0	0	0	0	109.8	W569	W569-G580 VanDerWaalsContact CE3-CA 3.46Å; W569-G580 VanDerWaalsContact CZ3-N 3.31Å
581	I	95.9	Very high	97.2	Very high	63 Å²	63	73.7 Å²	73.7	32%	0.323	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	-28.7	-178.8	61	153.5	0	0	0	112.6	P319 Y545 I568 K570 S579	P319-I581 HydrophobicContact CB-CD1 3.84Å; Y545-I581 HydrophobicContact CD1-CD1 3.85Å; Y545-I581 HydrophobicContact CE1-CD1 3.65Å; I568-I581 HydrophobicContact CB-CD1 4.09Å; I568-I581 HydrophobicContact CB-CG1 3.78Å; I568-I581 HydrophobicContact CG2-CD1 3.49Å; I568-I581 VanDerWaalsContact CG2-CD1 3.49Å; I568-I581 HydrophobicContact CG2-CG1 3.56Å; I568-I581 WeakPolarHBondContact O-CG1 3.39Å; I568-I581 PolarHBondContact O-N 3.15Å; K570-I581 HydrophobicContact CB-CG2 3.71Å; S579-I581 PolarHBondContact O-N 3.13Å
582	L	96.9	Very high	97.1	Very high	38 Å²	38	73.9 Å²	73.9	20%	0.199	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	130.7	177.8	-165.9	64.8	0	0	0	109.8	Y317 D567 I568 I585	Y317-L582 HydrophobicContact CE2-CD2 4.28Å; D567-L582 CarbonylContact C-O 3.57Å; D567-L582 VanDerWaalsContact CA-O 3.28Å; D567-L582 WeakPolarHBondContact CA-O 3.49Å; D567-L582 VanDerWaalsContact CB-O 3.25Å; D567-L582 WeakPolarHBondContact CB-O 3.26Å; I568-L582 HydrophobicContact CB-CB 4.17Å; I568-L582 HydrophobicContact CD1-CD2 4.21Å; I568-L582 HydrophobicContact CG1-CB 4.43Å; I568-L582 PolarHBondContact N-O 3.06Å; I568-L582 PolarHBondContact O-N 3.23Å; I568-L582 VanDerWaalsContact O-N 3.16Å; L582-I585 HydrophobicContact CD2-CB 3.74Å; L582-I585 HydrophobicContact CD2-CD1 4.33Å; L582-I585 HydrophobicContact CD2-CG2 4.24Å
583	K	96.6	Very high	97.2	Very high	192 Å²	192	72.7 Å²	72.7	84%	0.835	37%	0.367	S	S	*	.	S	Bend	trans	-77.7	-31.5	-176.7	-172.3	-179.6	177.4	-172.3	0	113	D567	D567-K583 WeakPolarHBondContact CB-O 3.33Å
584	E	96.8	Very high	97.2	Very high	140 Å²	140	71.2 Å²	71.2	65%	0.654	36%	0.36	S	S	*	.			trans	-156	130	-176.8	-173.2	178.8	179.2	0	0	109.7	T566	T566-E584 CarbonylContact O-C 3.59Å
585	I	97.1	Very high	97.2	Very high	9 Å²	9	64.1 Å²	64.1	5%	0.046	33%	0.333	C	S	.	.			trans	-131	102.7	166	177.3	156.9	0	0	0	108.7	L308 Y317 T566 I568 L582 Y587 A588	L308-I585 HydrophobicContact CD1-CD1 3.59Å; L308-I585 HydrophobicContact CD1-CG1 4.02Å; Y317-I585 HydrophobicContact CD1-CD1 4.41Å; Y317-I585 HydrophobicContact CD2-CD1 3.9Å; Y317-I585 HydrophobicContact CE2-CD1 4.32Å; Y317-I585 HydrophobicContact CG-CD1 3.94Å; T566-I585 WeakPolarHBondContact CB-O 3.39Å; T566-I585 WeakPolarHBondContact O-CG2 3.26Å; T566-I585 PolarHBondContact O-N 2.8Å; I568-I585 HydrophobicContact CD1-CD1 4.44Å; I568-I585 HydrophobicContact CD1-CG2 3.78Å; I568-I585 HydrophobicContact CG1-CG2 3.88Å; L582-I585 HydrophobicContact CD2-CB 3.74Å; L582-I585 HydrophobicContact CD2-CD1 4.33Å; L582-I585 HydrophobicContact CD2-CG2 4.24Å; I585-Y587 HydrophobicContact CD1-CD2 4.35Å; I585-Y587 HydrophobicContact CG1-CD2 3.96Å; I585-Y587 HydrophobicContact CG1-CG 4.5Å; I585-Y587 PolarHBondContact O-N 2.63Å; I585-A588 HydrophobicContact CG2-CB 3.7Å; I585-A588 WeakPolarHBondContact O-CB 3.31Å; I585-A588 PolarHBondContact O-N 2.96Å
586	R	96.9	Very high	97.2	Very high	170 Å²	170	57.9 Å²	57.9	64%	0.642	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-54.2	-25	-178.5	68.6	178.1	-178.7	174.9	-2	114.5	A588 T589	R586-A588 PolarHBondContact O-N 3.49Å; R586-T589 WeakPolarHBondContact O-CB 3.23Å; R586-T589 PolarHBondContact O-N 2.86Å; R586-T589 PolarHBondContact O-OG1 3Å; R586-T589 VanDerWaalsContact O-OG1 3.12Å
587	Y	97.9	Very high	97	Very high	44 Å²	44	55.3 Å²	55.3	17%	0.173	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-73.2	-14.5	179.1	-53.7	-66.5	0	0	0	113.1	V315 C324 I585 A591 L606	V315-Y587 HydrophobicContact CB-CD1 4.38Å; V315-Y587 HydrophobicContact CB-CG 4.17Å; V315-Y587 HydrophobicContact CG1-CD1 4.39Å; V315-Y587 HydrophobicContact CG1-CD2 4.01Å; V315-Y587 HydrophobicContact CG1-CE2 4.48Å; V315-Y587 HydrophobicContact CG1-CG 3.95Å; V315-Y587 HydrophobicContact CG2-CD1 3.69Å; V315-Y587 HydrophobicContact CG2-CE1 4.19Å; V315-Y587 HydrophobicContact CG2-CG 3.99Å; C324-Y587 HydrophobicContact CB-CD2 4.5Å; C324-Y587 HydrophobicContact CB-CE2 4.18Å; I585-Y587 HydrophobicContact CD1-CD2 4.35Å; I585-Y587 HydrophobicContact CG1-CD2 3.96Å; I585-Y587 HydrophobicContact CG1-CG 4.5Å; I585-Y587 PolarHBondContact O-N 2.63Å; Y587-A591 WeakPolarHBondContact O-CB 3.42Å; Y587-L606 HydrophobicContact CE1-CD1 4.25Å
588	A	97.6	Very high	96.8	Very high	6 Å²	6	51.7 Å²	51.7	5%	0.05	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-82.3	-13.3	175.3	0	0	0	0	0	113.3	L308 I547 T566 I585 R586 G590 A591	L308-A588 HydrophobicContact CD1-CB 4.3Å; L308-A588 HydrophobicContact CD2-CB 4.44Å; I547-A588 HydrophobicContact CG2-CB 3.87Å; T566-A588 HydrophobicContact CG2-CB 4.27Å; I585-A588 HydrophobicContact CG2-CB 3.7Å; I585-A588 WeakPolarHBondContact O-CB 3.31Å; I585-A588 PolarHBondContact O-N 2.96Å; R586-A588 PolarHBondContact O-N 3.49Å; A588-G590 PolarHBondContact O-N 3.12Å; A588-A591 WeakPolarHBondContact O-CB 3.41Å; A588-A591 PolarHBondContact O-N 2.61Å
589	T	97.6	Very high	96.4	Very high	65 Å²	65	51.4 Å²	51.4	40%	0.399	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	122.4	176.7	-54.3	0	0	0	0	110.2	N310 E564 R586 A591	N310-T589 WeakPolarHBondContact CB-O 3.05Å; N310-T589 PolarHBondContact ND2-O 2.78Å; N310-T589 VanDerWaalsContact ND2-O 3.17Å; E564-T589 VanDerWaalsContact OE2-CG2 3.23Å; E564-T589 WeakPolarHBondContact OE2-CG2 3.35Å; R586-T589 WeakPolarHBondContact O-CB 3.23Å; R586-T589 PolarHBondContact O-N 2.86Å; R586-T589 PolarHBondContact O-OG1 3Å; R586-T589 VanDerWaalsContact O-OG1 3.12Å; T589-A591 PolarHBondContact O-N 2.97Å; T589-A591 VanDerWaalsContact O-N 3.11Å
590	G	96.3	Very high	96.1	Very high	40 Å²	40	51 Å²	51	41%	0.412	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.5	13.2	-178.6	0	0	0	0	0	114	E564 A588	E564-G590 PolarHBondContact OE1-N 3.28Å; A588-G590 PolarHBondContact O-N 3.12Å
591	A	98.1	Very high	95.6	Very high	15 Å²	15	53.6 Å²	53.6	12%	0.124	27%	0.267	C	S	.	.			trans	-89.3	138.8	-172.2	0	0	0	0	0	112	L308 V309 N310 Y587 A588 T589	L308-A591 HydrophobicContact CB-CB 4.11Å; V309-A591 CarbonylContact O-C 3.59Å; V309-A591 WeakPolarHBondContact O-CA 3.25Å; N310-A591 HydrophobicContact CB-CB 4.2Å; Y587-A591 WeakPolarHBondContact O-CB 3.42Å; A588-A591 WeakPolarHBondContact O-CB 3.41Å; A588-A591 PolarHBondContact O-N 2.61Å; T589-A591 PolarHBondContact O-N 2.97Å; T589-A591 VanDerWaalsContact O-N 3.11Å
592	S	98.1	Very high	95.1	Very high	16 Å²	16	54.3 Å²	54.3	11%	0.112	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	143.3	154.7	66.6	0	0	0	0	109.3	L308 V309 H337 S339	L308-S592 WeakPolarHBondContact CA-O 3.35Å; V309-S592 PolarHBondContact N-O 3.43Å; V309-S592 PolarHBondContact O-N 3.22Å; H337-S592 PolarHBondContact CD2-OG 3.1Å; H337-S592 WeakPolarHBondContact NE2-CB 3.5Å; H337-S592 PolarHBondContact NE2-OG 3.06Å; S339-S592 WeakPolarHBondContact CB-OG 3.49Å; S339-S592 WeakPolarHBondContact OG-CB 3.01Å; S339-S592 PolarHBondContact OG-OG 3.39Å
593	C	98.3	Very high	94.9	Very high	16 Å²	16	53.6 Å²	53.6	11%	0.108	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	132.2	-175.6	-44.7	0	0	0	0	111	I306 L307 L308 S536 V538 I547	I306-C593 HydrophobicContact CG2-CB 4.49Å; L307-C593 WeakPolarHBondContact O-CA 3.39Å; L308-C593 HydrophobicContact CD2-CB 4.01Å; L308-C593 VanDerWaalsContact CD2-SG 3.52Å; S536-C593 VanDerWaalsContact CB-SG 3.54Å; V538-C593 HydrophobicContact CG1-CB 4.1Å; I547-C593 HydrophobicContact CD1-CB 4.19Å
594	L	96.8	Very high	94.8	Very high	18 Å²	18	48 Å²	48	9%	0.094	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	146	-175.4	-62.9	169.2	0	0	0	110.9	I306 L307 S339 V341 V347	I306-L594 CarbonylContact C-O 3.56Å; I306-L594 VanDerWaalsContact CA-O 3.31Å; I306-L594 WeakPolarHBondContact CA-O 3.45Å; L307-L594 HydrophobicContact CB-CB 4.45Å; L307-L594 PolarHBondContact N-O 3.04Å; L307-L594 PolarHBondContact O-N 3.37Å; S339-L594 VanDerWaalsContact OG-CD1 3.26Å; S339-L594 WeakPolarHBondContact OG-CD1 3.46Å; S339-L594 WeakPolarHBondContact OG-CD2 2.84Å; S339-L594 VanDerWaalsContact OG-CG 3.27Å; S339-L594 WeakPolarHBondContact OG-CG 3.26Å; V341-L594 HydrophobicContact CG2-CB 3.73Å; V341-L594 HydrophobicContact CG2-CD1 3.68Å; V341-L594 HydrophobicContact CG2-CD2 4.1Å; V341-L594 HydrophobicContact CG2-CG 4.05Å; V347-L594 HydrophobicContact CG1-CD1 3.71Å
595	A	97.2	Very high	94.6	Very high	35 Å²	35	47.6 Å²	47.6	29%	0.289	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	126.8	161.4	0	0	0	0	0	108.8	T539 L540	T539-A595 VanDerWaalsContact O-CB 3.27Å; T539-A595 WeakPolarHBondContact O-CB 3.06Å; L540-A595 HydrophobicContact CD1-CB 3.76Å
596	T	96	Very high	94.5	Very high	3 Å²	3	52.7 Å²	52.7	2%	0.018	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	160.8	-178.6	-172.8	0	0	0	0	110.8	D304 L305 L307 N345 L598	D304-T596 CarbonylContact C-O 3.1Å; D304-T596 WeakPolarHBondContact CA-O 3.27Å; L305-T596 PolarHBondContact N-O 3.18Å; L305-T596 PolarHBondContact O-N 2.87Å; L307-T596 HydrophobicContact CB-CG2 3.61Å; L307-T596 HydrophobicContact CD2-CG2 4.2Å; L307-T596 HydrophobicContact CG-CG2 4.44Å; N345-T596 PolarHBondContact OD1-OG1 2.93Å; N345-T596 VanDerWaalsContact OD1-OG1 3.13Å; T596-L598 HydrophobicContact CG2-CD1 3.78Å; T596-L598 HydrophobicContact CG2-CD2 4.39Å; T596-L598 HydrophobicContact CG2-CG 3.8Å
597	R	92.9	Very high	94.4	Very high	89 Å²	89	46.9 Å²	46.9	34%	0.336	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	121.6	173.9	-69.2	179.2	-63	141.7	1.1	109.4	E191 V302 K303 D304 N345	E191-R597 IonicContact OE1-NH1 3.24Å; E191-R597 PolarHBondContact OE1-NH1 3.12Å; E191-R597 IonicContact OE2-NH1 3.61Å; V302-R597 HydrophobicContact CG1-CB 3.77Å; V302-R597 HydrophobicContact CG1-CG 4.47Å; K303-R597 CarbonylContact O-C 3.53Å; K303-R597 WeakPolarHBondContact O-CA 3.4Å; D304-R597 WeakPolarHBondContact OD1-CG 3.36Å; N345-R597 PolarHBondContact ND2-O 2.83Å; N345-R597 WeakPolarHBondContact OD1-CB 3.47Å; N345-R597 PolarHBondContact OD1-N 2.94Å
598	L	92.8	Very high	94.2	Very high	7 Å²	7	47 Å²	47	4%	0.037	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	144.2	179.9	-64.8	170.7	0	0	0	110.5	V302 K303 L305 L307 A316 A327 N373 T596 L600 L603	V302-L598 CarbonylContact C-O 3.54Å; V302-L598 WeakPolarHBondContact CA-O 3.48Å; K303-L598 PolarHBondContact N-O 3.38Å; K303-L598 PolarHBondContact O-N 3.24Å; L305-L598 HydrophobicContact CD1-CB 4.21Å; L305-L598 HydrophobicContact CD1-CD1 4.45Å; L307-L598 HydrophobicContact CD1-CD1 4.18Å; A316-L598 HydrophobicContact CB-CD1 3.64Å; A327-L598 HydrophobicContact CB-CD1 4.31Å; N373-L598 HydrophobicContact CB-CD2 4.47Å; T596-L598 HydrophobicContact CG2-CD1 3.78Å; T596-L598 HydrophobicContact CG2-CD2 4.39Å; T596-L598 HydrophobicContact CG2-CG 3.8Å; L598-L600 PolarHBondContact O-N 3.39Å; L598-L603 HydrophobicContact CB-CD1 4.05Å; L598-L603 HydrophobicContact CB-CD2 4.36Å; L598-L603 HydrophobicContact CD1-CD1 4.39Å; L598-L603 HydrophobicContact CD1-CD2 4.38Å
599	N	90.9	Very high	94	Very high	17 Å²	17	49.3 Å²	49.3	9%	0.091	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	113.1	175.8	-174.1	-16.8	0	0	0	109.6	N189 H298 V302 F601 K602 L603	N189-N599 PolarHBondContact OD1-ND2 3.31Å; H298-N599 PolarHBondContact O-ND2 3.3Å; H298-N599 PolarHBondContact O-OD1 3.42Å; V302-N599 HydrophobicContact CG2-CB 4.01Å; N599-F601 PolarHBondContact O-N 3Å; N599-F601 VanDerWaalsContact O-N 3.15Å; N599-F601 WeakPolarHBondContact OD1-CB 3.45Å; N599-F601 PolarHBondContact OD1-N 2.8Å; N599-K602 HydrophobicContact CB-CB 4.46Å; N599-K602 HydrophobicContact CB-CG 4.28Å; N599-K602 PolarHBondContact O-N 2.83Å; N599-L603 WeakPolarHBondContact O-CG 3.38Å
600	L	91	Very high	93.8	Very high	37 Å²	37	48.4 Å²	48.4	19%	0.194	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-56.8	-31.2	-178.8	-69.1	178.3	0	0	0	113.4	F301 K303 L305 Y325 L598 K602 L603	F301-L600 PolarHBondContact O-N 3.19Å; K303-L600 HydrophobicContact CB-CG 4.42Å; K303-L600 HydrophobicContact CD-CD1 3.78Å; K303-L600 HydrophobicContact CD-CG 4.4Å; K303-L600 HydrophobicContact CG-CD1 3.92Å; K303-L600 HydrophobicContact CG-CG 4.26Å; L305-L600 HydrophobicContact CD1-CD2 4.05Å; Y325-L600 HydrophobicContact CD2-CD2 4.47Å; Y325-L600 HydrophobicContact CE1-CD2 4.42Å; Y325-L600 HydrophobicContact CE2-CD2 4.25Å; L598-L600 PolarHBondContact O-N 3.39Å; L600-K602 PolarHBondContact O-N 3.13Å; L600-L603 HydrophobicContact CD2-CD1 4.2Å; L600-L603 PolarHBondContact O-N 3.26Å
601	F	86.4	Confident	93.7	Very high	106 Å²	106	48.9 Å²	48.9	47%	0.465	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-67.3	-20.2	178.1	-87.4	-107.1	0	0	0	113.4	H298 F301 N599	H298-F601 HydrophobicContact CB-CG 4.5Å; H298-F601 AromaticContact CD2-CE1 3.95Å; F301-F601 HydrophobicContact CB-CD2 3.46Å; F301-F601 VanDerWaalsContact CB-CD2 3.46Å; F301-F601 HydrophobicContact CB-CE2 3.77Å; F301-F601 HydrophobicContact CD1-CD2 4.12Å; F301-F601 AromaticContact CD1-CE2 3.49Å; F301-F601 HydrophobicContact CD1-CE2 3.49Å; F301-F601 VanDerWaalsContact CD1-CE2 3.49Å; F301-F601 HydrophobicContact CD1-CZ 4.48Å; F301-F601 AromaticContact CD2-CD2 3.36Å; F301-F601 HydrophobicContact CD2-CD2 3.36Å; F301-F601 AromaticContact CD2-CE2 3.05Å; F301-F601 HydrophobicContact CD2-CE2 3.05Å; F301-F601 HydrophobicContact CD2-CG 4.35Å; F301-F601 AromaticContact CD2-CZ 3.83Å; F301-F601 HydrophobicContact CD2-CZ 3.83Å; F301-F601 AromaticContact CE1-CE2 3.65Å; F301-F601 HydrophobicContact CE1-CE2 3.65Å; F301-F601 HydrophobicContact CE1-CZ 4.24Å; F301-F601 AromaticContact CE2-CD2 3.99Å; F301-F601 HydrophobicContact CE2-CD2 3.99Å; F301-F601 AromaticContact CE2-CE2 3.24Å; F301-F601 HydrophobicContact CE2-CE2 3.24Å; F301-F601 AromaticContact CE2-CZ 3.54Å; F301-F601 HydrophobicContact CE2-CZ 3.54Å; F301-F601 AromaticContact CG-CD2 3.39Å; F301-F601 HydrophobicContact CG-CD2 3.39Å; F301-F601 AromaticContact CG-CE2 3.15Å; F301-F601 HydrophobicContact CG-CE2 3.15Å; F301-F601 HydrophobicContact CG-CZ 4.26Å; F301-F601 AromaticContact CZ-CE2 3.5Å; F301-F601 HydrophobicContact CZ-CE2 3.5Å; F301-F601 VanDerWaalsContact CZ-CE2 3.5Å; F301-F601 AromaticContact CZ-CZ 3.73Å; F301-F601 HydrophobicContact CZ-CZ 3.73Å; N599-F601 PolarHBondContact O-N 3Å; N599-F601 VanDerWaalsContact O-N 3.15Å; N599-F601 WeakPolarHBondContact OD1-CB 3.45Å; N599-F601 PolarHBondContact OD1-N 2.8Å
602	K	85.9	Confident	93.4	Very high	77 Å²	77	51.1 Å²	51.1	34%	0.335	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-95.6	-5.3	178	-64.7	-68.9	-174.5	169.6	0	112.4	D160 N599 L600	D160-K602 VanDerWaalsContact OD1-CE 3.28Å; D160-K602 WeakPolarHBondContact OD1-CE 3.49Å; D160-K602 IonicContact OD1-NZ 3.93Å; D160-K602 PolarHBondContact OD1-NZ 3.33Å; D160-K602 IonicContact OD2-NZ 3.29Å; D160-K602 PolarHBondContact OD2-NZ 3.43Å; N599-K602 HydrophobicContact CB-CB 4.46Å; N599-K602 HydrophobicContact CB-CG 4.28Å; N599-K602 PolarHBondContact O-N 2.83Å; L600-K602 PolarHBondContact O-N 3.13Å
603	L	92.3	Very high	93	Very high	23 Å²	23	53.6 Å²	53.6	12%	0.12	27%	0.271	C	S	.	.	S	Bend	trans	-98.5	151.6	179.6	-49.1	179.7	0	0	0	111.2	L305 A316 Y325 A327 L598 N599 L600	L305-L603 HydrophobicContact CD1-CD1 3.81Å; A316-L603 HydrophobicContact CB-CD1 4.07Å; Y325-L603 HydrophobicContact CD1-CB 4.28Å; Y325-L603 HydrophobicContact CG-CB 4.37Å; Y325-L603 HydrophobicContact CG-CD1 4.29Å; A327-L603 HydrophobicContact CB-CD2 3.9Å; L598-L603 HydrophobicContact CB-CD1 4.05Å; L598-L603 HydrophobicContact CB-CD2 4.36Å; L598-L603 HydrophobicContact CD1-CD1 4.39Å; L598-L603 HydrophobicContact CD1-CD2 4.38Å; N599-L603 WeakPolarHBondContact O-CG 3.38Å; L600-L603 HydrophobicContact CD2-CD1 4.2Å; L600-L603 PolarHBondContact O-N 3.26Å
604	S	93.3	Very high	92.6	Very high	76 Å²	76	56.5 Å²	56.5	53%	0.531	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	123.2	172.9	-62.2	0	0	0	0	110.1	Y325 L326	Y325-S604 CarbonylContact C-O 3.5Å; Y325-S604 VanDerWaalsContact CA-O 3.31Å; Y325-S604 WeakPolarHBondContact CA-O 3.48Å; L326-S604 PolarHBondContact N-O 3.13Å; L326-S604 PolarHBondContact O-N 2.88Å; L326-S604 VanDerWaalsContact O-N 3.13Å
605	K	94.3	Very high	92.3	Very high	130 Å²	130	59.8 Å²	59.8	57%	0.565	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.2	136.5	177.2	-169.6	165	-177.5	156.2	0	110.7	E323 Y325	E323-K605 IonicContact OE1-NZ 2.69Å; E323-K605 PolarHBondContact OE1-NZ 3.46Å; E323-K605 IonicContact OE2-NZ 2.85Å; E323-K605 PolarHBondContact OE2-NZ 3.13Å; Y325-K605 HydrophobicContact CD1-CB 4Å; Y325-K605 HydrophobicContact CD1-CG 4.32Å; Y325-K605 HydrophobicContact CE1-CB 4.01Å; Y325-K605 HydrophobicContact CE1-CD 4.23Å; Y325-K605 HydrophobicContact CE1-CG 4.05Å
606	L	94.6	Very high	91.9	Very high	117 Å²	117	62 Å²	62	61%	0.613	30%	0.3	S	S	*	.			trans	-101.9	0	-177.3	-75.5	176.2	0	0	0	114.1	V315 C324 L326 Y587	V315-L606 HydrophobicContact CG1-CD1 3.96Å; V315-L606 HydrophobicContact CG2-CD1 3.92Å; C324-L606 HydrophobicContact CB-CB 4.4Å; C324-L606 PolarHBondContact O-N 2.98Å; C324-L606 VanDerWaalsContact O-N 3.11Å; L326-L606 HydrophobicContact CB-CD1 4.05Å; L326-L606 HydrophobicContact CB-CD2 4.02Å; L326-L606 HydrophobicContact CB-CG 3.96Å; Y587-L606 HydrophobicContact CE1-CD1 4.25Å

Retrieved 606 of 606 residues in 407.7 ms (Link to these results)

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