A0A3Q0KBP5_SCHMA Loading...

Carbonic anhydrase

Reversible hydration of carbon dioxide.

AlphaFold DB , UniProt , Accession A0A3Q0KBP5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 266 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	92.7	Very high	92.8	Very high	152 Å²	152	107.6 Å²	107.6	75%	0.749	56%	0.564	S	S	*	*				0	-53.3	0	-163.4	51.3	-177.7	0	0	113	Q3 I4 L5	M1-Q3 PolarHBondContact O-N 3.32Å; M1-I4 WeakPolarHBondContact O-CB 3.28Å; M1-I4 PolarHBondContact O-N 3.26Å; M1-L5 HydrophobicContact CE-CD1 4.18Å; M1-L5 HydrophobicContact CE-CD2 3.7Å; M1-L5 HydrophobicContact CE-CG 3.85Å; M1-L5 HydrophobicContact CG-CD1 4.18Å; M1-L5 HydrophobicContact CG-CG 4.35Å; M1-L5 PolarHBondContact O-N 3.21Å; M1-L5 HydrophobicContact SD-CG 4.47Å
2	N	94.3	Very high	92.5	Very high	127 Å²	127	107.3 Å²	107.3	68%	0.679	56%	0.557	S	S	*	*	H	α-helix	trans	-52.1	-45.5	-178.3	-65.9	-6.1	0	0	0	114.6	I4 L5 L6	N2-I4 VanDerWaalsContact C-N 3.3Å; N2-I4 PolarHBondContact O-N 3.13Å; N2-L5 PolarHBondContact O-N 3.4Å; N2-L6 WeakPolarHBondContact O-CB 3.5Å; N2-L6 VanDerWaalsContact O-CG 3.3Å; N2-L6 WeakPolarHBondContact O-CG 3.35Å; N2-L6 PolarHBondContact O-N 3.23Å
3	Q	94.2	Very high	92.2	Very high	175 Å²	175	105.8 Å²	105.8	82%	0.818	57%	0.571	S	S	*	*	H	α-helix	trans	-61.8	-36.4	177.4	-69.5	-179.7	-4.8	0	0	113.1	M1 G7	M1-Q3 PolarHBondContact O-N 3.32Å; Q3-G7 PolarHBondContact O-N 3.23Å
4	I	93.2	Very high	91.8	Very high	104 Å²	104	106.5 Å²	106.5	53%	0.533	57%	0.574	S	S	.	*	H	α-helix	trans	-66.4	-48.8	176.8	-62.9	171.9	0	0	0	109.4	M1 N2 L6 G7 I8	M1-I4 WeakPolarHBondContact O-CB 3.28Å; M1-I4 PolarHBondContact O-N 3.26Å; N2-I4 VanDerWaalsContact C-N 3.3Å; N2-I4 PolarHBondContact O-N 3.13Å; I4-L6 PolarHBondContact O-N 3.24Å; I4-G7 CarbonylContact O-C 3.57Å; I4-G7 WeakPolarHBondContact O-CA 3.35Å; I4-G7 PolarHBondContact O-N 3.26Å; I4-G7 VanDerWaalsContact O-N 3.09Å; I4-I8 HydrophobicContact CG2-CD1 4.03Å; I4-I8 WeakPolarHBondContact O-CG1 3.17Å; I4-I8 PolarHBondContact O-N 2.88Å
5	L	95.1	Very high	91.7	Very high	78 Å²	78	107.5 Å²	107.5	41%	0.408	57%	0.571	S	S	.	*	H	α-helix	trans	-61.4	-42.7	178	-67.6	178.2	0	0	0	112.1	M1 N2 G7 I8 L9	M1-L5 HydrophobicContact CE-CD1 4.18Å; M1-L5 HydrophobicContact CE-CD2 3.7Å; M1-L5 HydrophobicContact CE-CG 3.85Å; M1-L5 HydrophobicContact CG-CD1 4.18Å; M1-L5 HydrophobicContact CG-CG 4.35Å; M1-L5 PolarHBondContact O-N 3.21Å; M1-L5 HydrophobicContact SD-CG 4.47Å; N2-L5 PolarHBondContact O-N 3.4Å; L5-G7 VanDerWaalsContact C-N 3.31Å; L5-G7 PolarHBondContact O-N 3.22Å; L5-I8 HydrophobicContact CD2-CD1 4.42Å; L5-I8 PolarHBondContact O-N 3.28Å; L5-L9 WeakPolarHBondContact O-CG 3.44Å; L5-L9 PolarHBondContact O-N 2.91Å
6	L	95	Very high	91.8	Very high	98 Å²	98	107.9 Å²	107.9	51%	0.513	57%	0.568	S	S	.	*	H	α-helix	trans	-63.7	-36.6	173.5	-70.2	172.7	0	0	0	111.9	N2 I4 L9 K10	N2-L6 WeakPolarHBondContact O-CB 3.5Å; N2-L6 VanDerWaalsContact O-CG 3.3Å; N2-L6 WeakPolarHBondContact O-CG 3.35Å; N2-L6 PolarHBondContact O-N 3.23Å; I4-L6 PolarHBondContact O-N 3.24Å; L6-L9 HydrophobicContact CD2-CD1 4.38Å; L6-L9 PolarHBondContact O-N 3.44Å; L6-K10 VanDerWaalsContact O-CG 3.29Å; L6-K10 WeakPolarHBondContact O-CG 3.38Å; L6-K10 PolarHBondContact O-N 3.27Å
7	G	92.3	Very high	91.7	Very high	37 Å²	37	105.4 Å²	105.4	38%	0.381	56%	0.562	S	S	.	*	H	α-helix	trans	-63.1	-43.4	172.7	0	0	0	0	0	112.5	Q3 I4 L5 K10 S11	Q3-G7 PolarHBondContact O-N 3.23Å; I4-G7 CarbonylContact O-C 3.57Å; I4-G7 WeakPolarHBondContact O-CA 3.35Å; I4-G7 PolarHBondContact O-N 3.26Å; I4-G7 VanDerWaalsContact O-N 3.09Å; L5-G7 VanDerWaalsContact C-N 3.31Å; L5-G7 PolarHBondContact O-N 3.22Å; G7-K10 PolarHBondContact O-N 2.96Å; G7-S11 PolarHBondContact O-N 2.57Å
8	I	92	Very high	91.6	Very high	82 Å²	82	105.2 Å²	105.2	42%	0.421	56%	0.555	S	S	.	*	H	α-helix	trans	-61.7	-46.7	174.2	-66.7	165.6	0	0	0	110	I4 L5 K10 S11 H12	I4-I8 HydrophobicContact CG2-CD1 4.03Å; I4-I8 WeakPolarHBondContact O-CG1 3.17Å; I4-I8 PolarHBondContact O-N 2.88Å; L5-I8 HydrophobicContact CD2-CD1 4.42Å; L5-I8 PolarHBondContact O-N 3.28Å; I8-K10 VanDerWaalsContact C-N 3.32Å; I8-K10 PolarHBondContact O-N 2.54Å; I8-S11 WeakPolarHBondContact O-CA 3.48Å; I8-S11 WeakPolarHBondContact O-CB 3.36Å; I8-S11 PolarHBondContact O-N 3.44Å; I8-S11 PolarHBondContact O-OG 3.23Å; I8-H12 PolarHBondContact O-CD2 3.46Å; I8-H12 VanDerWaalsContact O-CD2 3.25Å; I8-H12 PolarHBondContact O-N 2.69Å
9	L	92.8	Very high	91.7	Very high	106 Å²	106	103.1 Å²	103.1	56%	0.555	54%	0.544	S	S	*	.	H	α-helix	trans	-59.2	-42	175.9	-72.3	172.8	0	0	0	112.1	L5 L6 S11 H12	L5-L9 WeakPolarHBondContact O-CG 3.44Å; L5-L9 PolarHBondContact O-N 2.91Å; L6-L9 HydrophobicContact CD2-CD1 4.38Å; L6-L9 PolarHBondContact O-N 3.44Å; L9-S11 VanDerWaalsContact C-N 3.31Å; L9-S11 PolarHBondContact O-N 2.96Å; L9-H12 VanDerWaalsContact O-CB 3.3Å; L9-H12 WeakPolarHBondContact O-CB 2.97Å; L9-H12 PolarHBondContact O-N 3.49Å
10	K	91.4	Very high	91.7	Very high	161 Å²	161	101.6 Å²	101.6	70%	0.7	54%	0.536	S	S	*	.	H	α-helix	trans	-62.5	-38.4	173.5	-73.5	174.5	-177.4	-174.9	0	112.1	L6 G7 I8 H12 A13	L6-K10 VanDerWaalsContact O-CG 3.29Å; L6-K10 WeakPolarHBondContact O-CG 3.38Å; L6-K10 PolarHBondContact O-N 3.27Å; G7-K10 PolarHBondContact O-N 2.96Å; I8-K10 VanDerWaalsContact C-N 3.32Å; I8-K10 PolarHBondContact O-N 2.54Å; K10-H12 PolarHBondContact O-N 2.63Å; K10-A13 WeakPolarHBondContact O-CB 3.42Å; K10-A13 PolarHBondContact O-N 3.46Å; K10-A13 VanDerWaalsContact O-N 3.15Å
11	S	88	Confident	91.6	Very high	64 Å²	64	99.8 Å²	99.8	45%	0.448	53%	0.525	S	S	.	.	H	α-helix	trans	-62.3	-25	177.8	82.3	0	0	0	0	112.8	G7 I8 L9 A13 N14 K15	G7-S11 PolarHBondContact O-N 2.57Å; I8-S11 WeakPolarHBondContact O-CA 3.48Å; I8-S11 WeakPolarHBondContact O-CB 3.36Å; I8-S11 PolarHBondContact O-N 3.44Å; I8-S11 PolarHBondContact O-OG 3.23Å; L9-S11 VanDerWaalsContact C-N 3.31Å; L9-S11 PolarHBondContact O-N 2.96Å; S11-A13 PolarHBondContact O-N 3.34Å; S11-N14 CarbonylContact O-C 3.55Å; S11-N14 PolarHBondContact O-N 3.01Å; S11-K15 PolarHBondContact O-N 2.97Å
12	H	88.5	Confident	91.6	Very high	103 Å²	103	95.2 Å²	95.2	48%	0.477	50%	0.503	S	S	.	.	G	3₁₀ helix	trans	-61.4	-28.5	176.5	-63.8	175.3	0	0	0	113	I8 L9 K10 N14 K15	I8-H12 PolarHBondContact O-CD2 3.46Å; I8-H12 VanDerWaalsContact O-CD2 3.25Å; I8-H12 PolarHBondContact O-N 2.69Å; L9-H12 VanDerWaalsContact O-CB 3.3Å; L9-H12 WeakPolarHBondContact O-CB 2.97Å; L9-H12 PolarHBondContact O-N 3.49Å; K10-H12 PolarHBondContact O-N 2.63Å; H12-N14 PolarHBondContact O-N 3.23Å; H12-K15 WeakPolarHBondContact O-CB 3.3Å; H12-K15 PolarHBondContact O-N 2.71Å; H12-K15 VanDerWaalsContact O-N 3.09Å
13	A	88.5	Confident	91.5	Very high	89 Å²	89	94.9 Å²	94.9	74%	0.736	50%	0.496	S	S	*	.	G	3₁₀ helix	trans	-60	-30.4	174.5	0	0	0	0	0	112.2	K10 S11	K10-A13 WeakPolarHBondContact O-CB 3.42Å; K10-A13 PolarHBondContact O-N 3.46Å; K10-A13 VanDerWaalsContact O-N 3.15Å; S11-A13 PolarHBondContact O-N 3.34Å
14	N	87	Confident	91.3	Very high	115 Å²	115	90.9 Å²	90.9	62%	0.615	48%	0.483	S	S	*	.	G	3₁₀ helix	trans	-101.9	9.6	178.6	-63.5	-29.2	0	0	0	112.9	S11 H12 Q16 S17 F18	S11-N14 CarbonylContact O-C 3.55Å; S11-N14 PolarHBondContact O-N 3.01Å; H12-N14 PolarHBondContact O-N 3.23Å; N14-Q16 VanDerWaalsContact C-N 3.3Å; N14-Q16 PolarHBondContact O-N 2.99Å; N14-S17 PolarHBondContact O-N 3.41Å; N14-S17 VanDerWaalsContact O-N 3.16Å; N14-F18 PolarHBondContact O-N 3.05Å
15	K	91	Very high	91.2	Very high	121 Å²	121	88.1 Å²	88.1	53%	0.526	47%	0.468	S	S	.	.	H	α-helix	trans	-55.4	-42.8	-175.1	-177.7	176.7	-180	179.5	0	112.4	S11 H12 F18 L19	S11-K15 PolarHBondContact O-N 2.97Å; H12-K15 WeakPolarHBondContact O-CB 3.3Å; H12-K15 PolarHBondContact O-N 2.71Å; H12-K15 VanDerWaalsContact O-N 3.09Å; K15-F18 PolarHBondContact O-N 2.75Å; K15-L19 HydrophobicContact CG-CD1 3.97Å; K15-L19 HydrophobicContact CG-CG 4.26Å; K15-L19 WeakPolarHBondContact O-CB 3.47Å; K15-L19 VanDerWaalsContact O-CG 3.27Å; K15-L19 WeakPolarHBondContact O-CG 3.26Å; K15-L19 PolarHBondContact O-N 3.24Å
16	Q	92.3	Very high	91	Very high	114 Å²	114	90.2 Å²	90.2	53%	0.533	48%	0.479	S	S	.	.	H	α-helix	trans	-66	-40.9	-178.2	-169.7	58.8	48.9	0	0	112	N14 L19 N20	N14-Q16 VanDerWaalsContact C-N 3.3Å; N14-Q16 PolarHBondContact O-N 2.99Å; Q16-L19 PolarHBondContact O-N 3.03Å; Q16-N20 PolarHBondContact NE2-OD1 3.19Å; Q16-N20 WeakPolarHBondContact O-CB 3.4Å; Q16-N20 PolarHBondContact O-N 3.37Å; Q16-N20 PolarHBondContact O-ND2 3.47Å; Q16-N20 PolarHBondContact O-OD1 2.67Å
17	S	90.4	Very high	90.8	Very high	66 Å²	66	93.2 Å²	93.2	46%	0.462	49%	0.491	S	S	.	.	H	α-helix	trans	-61.8	-46.3	175.6	177.8	0	0	0	0	111	N14 L19 N20 Q21	N14-S17 PolarHBondContact O-N 3.41Å; N14-S17 VanDerWaalsContact O-N 3.16Å; S17-L19 PolarHBondContact O-N 3.25Å; S17-N20 PolarHBondContact O-N 3.41Å; S17-Q21 WeakPolarHBondContact O-CG 3.09Å; S17-Q21 PolarHBondContact O-N 3.25Å
18	F	90.5	Very high	90.7	Very high	101 Å²	101	99.5 Å²	99.5	44%	0.443	51%	0.508	S	S	.	.	H	α-helix	trans	-61.3	-44.7	176	179.9	-106.1	0	0	0	112.8	N14 K15 N20 Q21 L22 V53	N14-F18 PolarHBondContact O-N 3.05Å; K15-F18 PolarHBondContact O-N 2.75Å; F18-N20 VanDerWaalsContact C-N 3.3Å; F18-N20 PolarHBondContact O-N 3.07Å; F18-Q21 PolarHBondContact O-N 2.94Å; F18-L22 HydrophobicContact CD1-CD1 4.01Å; F18-L22 HydrophobicContact CE1-CD1 3.51Å; F18-L22 HydrophobicContact CE1-CG 4.21Å; F18-L22 HydrophobicContact CZ-CD1 3.93Å; F18-L22 HydrophobicContact CZ-CD2 4.44Å; F18-L22 HydrophobicContact CZ-CG 4.25Å; F18-L22 PolarHBondContact O-N 3.08Å; F18-V53 HydrophobicContact CD2-CG2 3.81Å; F18-V53 HydrophobicContact CE2-CB 4.48Å; F18-V53 HydrophobicContact CE2-CG1 4.18Å; F18-V53 HydrophobicContact CE2-CG2 3.52Å
19	L	92.5	Very high	90.5	Very high	65 Å²	65	99.7 Å²	99.7	34%	0.34	51%	0.514	S	S	.	.	H	α-helix	trans	-62.9	-37.2	176.1	-71.9	176.5	0	0	0	112.2	K15 Q16 S17 L22 K23	K15-L19 HydrophobicContact CG-CD1 3.97Å; K15-L19 HydrophobicContact CG-CG 4.26Å; K15-L19 WeakPolarHBondContact O-CB 3.47Å; K15-L19 VanDerWaalsContact O-CG 3.27Å; K15-L19 WeakPolarHBondContact O-CG 3.26Å; K15-L19 PolarHBondContact O-N 3.24Å; Q16-L19 PolarHBondContact O-N 3.03Å; S17-L19 PolarHBondContact O-N 3.25Å; L19-L22 HydrophobicContact CD2-CD1 4.48Å; L19-L22 PolarHBondContact O-N 3.15Å; L19-K23 WeakPolarHBondContact O-CG 3.12Å; L19-K23 PolarHBondContact O-N 2.85Å
20	N	92	Very high	90.4	Very high	73 Å²	73	99 Å²	99	39%	0.39	51%	0.511	S	S	.	.	H	α-helix	trans	-64.9	-43.9	175.2	-68.7	-7.2	0	0	0	111	Q16 S17 F18 L22 K23 T24	Q16-N20 PolarHBondContact NE2-OD1 3.19Å; Q16-N20 WeakPolarHBondContact O-CB 3.4Å; Q16-N20 PolarHBondContact O-N 3.37Å; Q16-N20 PolarHBondContact O-ND2 3.47Å; Q16-N20 PolarHBondContact O-OD1 2.67Å; S17-N20 PolarHBondContact O-N 3.41Å; F18-N20 VanDerWaalsContact C-N 3.3Å; F18-N20 PolarHBondContact O-N 3.07Å; N20-L22 VanDerWaalsContact C-N 3.33Å; N20-L22 PolarHBondContact O-N 3.12Å; N20-K23 PolarHBondContact O-N 3.33Å; N20-T24 PolarHBondContact O-N 3.18Å; N20-T24 PolarHBondContact O-OG1 3.22Å; N20-T24 VanDerWaalsContact O-OG1 3.07Å
21	Q	90.1	Very high	90.5	Very high	65 Å²	65	93.6 Å²	93.6	30%	0.304	49%	0.489	S	S	.	.	H	α-helix	trans	-58.3	-43.6	174.4	-70.8	-178.1	-0.5	0	0	112.1	S17 F18 T24 F25 V53	S17-Q21 WeakPolarHBondContact O-CG 3.09Å; S17-Q21 PolarHBondContact O-N 3.25Å; F18-Q21 PolarHBondContact O-N 2.94Å; Q21-T24 PolarHBondContact O-N 3.45Å; Q21-F25 WeakPolarHBondContact O-CB 3.41Å; Q21-F25 PolarHBondContact O-N 2.87Å; Q21-V53 HydrophobicContact CB-CB 4.47Å; Q21-V53 VanDerWaalsContact OE1-CG2 3.28Å
22	L	92.2	Very high	90.9	Very high	55 Å²	55	94.3 Å²	94.3	29%	0.288	49%	0.488	S	S	.	.	H	α-helix	trans	-61.9	-43.1	175.9	-72.7	176.3	0	0	0	112.6	F18 L19 N20 F25 N26 V53	F18-L22 HydrophobicContact CD1-CD1 4.01Å; F18-L22 HydrophobicContact CE1-CD1 3.51Å; F18-L22 HydrophobicContact CE1-CG 4.21Å; F18-L22 HydrophobicContact CZ-CD1 3.93Å; F18-L22 HydrophobicContact CZ-CD2 4.44Å; F18-L22 HydrophobicContact CZ-CG 4.25Å; F18-L22 PolarHBondContact O-N 3.08Å; L19-L22 HydrophobicContact CD2-CD1 4.48Å; L19-L22 PolarHBondContact O-N 3.15Å; N20-L22 VanDerWaalsContact C-N 3.33Å; N20-L22 PolarHBondContact O-N 3.12Å; L22-F25 PolarHBondContact O-N 2.97Å; L22-N26 WeakPolarHBondContact O-CB 3.41Å; L22-N26 VanDerWaalsContact O-CG 3.23Å; L22-N26 PolarHBondContact O-N 3.26Å; L22-N26 PolarHBondContact O-ND2 2.88Å; L22-V53 HydrophobicContact CD2-CG1 3.53Å; L22-V53 HydrophobicContact CG-CG1 4.39Å
23	K	92.9	Very high	91.3	Very high	121 Å²	121	89.7 Å²	89.7	53%	0.526	47%	0.467	S	S	.	.	H	α-helix	trans	-61.9	-49.7	176.3	-73	177.7	-178.1	-175.2	0	111.2	L19 N20 F25 N26 E27	L19-K23 WeakPolarHBondContact O-CG 3.12Å; L19-K23 PolarHBondContact O-N 2.85Å; N20-K23 PolarHBondContact O-N 3.33Å; K23-F25 VanDerWaalsContact C-N 3.31Å; K23-F25 PolarHBondContact O-N 3.48Å; K23-N26 PolarHBondContact O-N 3.34Å; K23-N26 VanDerWaalsContact O-N 3.15Å; K23-E27 WeakPolarHBondContact O-CG 3.49Å; K23-E27 PolarHBondContact O-N 2.85Å
24	T	90.6	Very high	91.8	Very high	90 Å²	90	85.4 Å²	85.4	55%	0.552	43%	0.432	S	S	*	.	H	α-helix	trans	-58.1	-43.7	178.1	-59.7	0	0	0	0	111.7	N20 Q21 E27 K28	N20-T24 PolarHBondContact O-N 3.18Å; N20-T24 PolarHBondContact O-OG1 3.22Å; N20-T24 VanDerWaalsContact O-OG1 3.07Å; Q21-T24 PolarHBondContact O-N 3.45Å; T24-E27 PolarHBondContact O-N 3.42Å; T24-K28 PolarHBondContact O-N 2.94Å
25	F	90	Very high	92.3	Very high	46 Å²	46	80 Å²	80	20%	0.202	40%	0.403	C	S	.	.	H	α-helix	trans	-63.4	-42.5	176.2	178.9	-99	0	0	0	112.3	Q21 L22 K23 E27 K28 P29 I31 G54	Q21-F25 WeakPolarHBondContact O-CB 3.41Å; Q21-F25 PolarHBondContact O-N 2.87Å; L22-F25 PolarHBondContact O-N 2.97Å; K23-F25 VanDerWaalsContact C-N 3.31Å; K23-F25 PolarHBondContact O-N 3.48Å; F25-E27 VanDerWaalsContact C-N 3.33Å; F25-E27 PolarHBondContact O-N 3.17Å; F25-K28 CarbonylContact O-C 3.54Å; F25-K28 PolarHBondContact O-N 2.76Å; F25-P29 HydrophobicContact CE2-CB 4.05Å; F25-P29 HydrophobicContact CZ-CB 4.06Å; F25-P29 VanDerWaalsContact O-CA 3.25Å; F25-P29 WeakPolarHBondContact O-CA 3.45Å; F25-P29 VanDerWaalsContact O-CD 3.26Å; F25-P29 WeakPolarHBondContact O-CD 3.45Å; F25-P29 WeakPolarHBondContact O-CG 3.39Å; F25-I31 HydrophobicContact CE2-CG1 4.04Å; F25-I31 HydrophobicContact CZ-CG1 4.04Å; F25-G54 VanDerWaalsContact CE2-C 3.44Å; F25-G54 WeakPolarHBondContact CE2-O 3.36Å; F25-G54 WeakPolarHBondContact CZ-O 3.26Å
26	N	90.3	Very high	92.7	Very high	122 Å²	122	74.2 Å²	74.2	65%	0.652	38%	0.378	S	S	*	.	H	α-helix	trans	-66.3	-34.5	179	-72.6	-18.7	0	0	0	112.9	L22 K23	L22-N26 WeakPolarHBondContact O-CB 3.41Å; L22-N26 VanDerWaalsContact O-CG 3.23Å; L22-N26 PolarHBondContact O-N 3.26Å; L22-N26 PolarHBondContact O-ND2 2.88Å; K23-N26 PolarHBondContact O-N 3.34Å; K23-N26 VanDerWaalsContact O-N 3.15Å
27	E	91.5	Very high	93	Very high	161 Å²	161	68.8 Å²	68.8	75%	0.752	35%	0.352	S	S	*	.	H	α-helix	trans	-71.5	-39.2	176.3	-72	169.6	-175.1	0	0	111.9	K23 T24 F25	K23-E27 WeakPolarHBondContact O-CG 3.49Å; K23-E27 PolarHBondContact O-N 2.85Å; T24-E27 PolarHBondContact O-N 3.42Å; F25-E27 VanDerWaalsContact C-N 3.33Å; F25-E27 PolarHBondContact O-N 3.17Å
28	K	89.4	Confident	93.4	Very high	170 Å²	170	65.9 Å²	65.9	74%	0.739	33%	0.332	S	S	*	.	S	Bend	trans	-143.9	86.5	179.8	-171.4	179	178.2	-179	0	110.9	T24 F25 N30	T24-K28 PolarHBondContact O-N 2.94Å; F25-K28 CarbonylContact O-C 3.54Å; F25-K28 PolarHBondContact O-N 2.76Å; K28-N30 PolarHBondContact O-N 2.96Å
29	P	89	Confident	93.7	Very high	85 Å²	85	64.6 Å²	64.6	55%	0.552	33%	0.332	S	S	*	.			trans	-60.5	125.5	177.8	-24.4	33.7	0	0	0	110.6	F25	F25-P29 HydrophobicContact CE2-CB 4.05Å; F25-P29 HydrophobicContact CZ-CB 4.06Å; F25-P29 VanDerWaalsContact O-CA 3.25Å; F25-P29 WeakPolarHBondContact O-CA 3.45Å; F25-P29 VanDerWaalsContact O-CD 3.26Å; F25-P29 WeakPolarHBondContact O-CD 3.45Å; F25-P29 WeakPolarHBondContact O-CG 3.39Å
30	N	89.8	Confident	93.9	Very high	91 Å²	91	62.3 Å²	62.3	49%	0.487	32%	0.32	S	S	.	.			trans	-129	75.7	176.8	-174.3	45.9	0	0	0	109.2	K28	K28-N30 PolarHBondContact O-N 2.96Å
31	I	94.8	Very high	94.1	Very high	48 Å²	48	64.2 Å²	64.2	25%	0.246	34%	0.34	C	S	.	.			trans	-79.9	123.2	179.4	-54.2	158	0	0	0	108.2	F25 F57 C93 I95	F25-I31 HydrophobicContact CE2-CG1 4.04Å; F25-I31 HydrophobicContact CZ-CG1 4.04Å; I31-F57 HydrophobicContact CD1-CD2 4.47Å; I31-F57 HydrophobicContact CD1-CE2 3.68Å; I31-F57 HydrophobicContact CG1-CE2 4.11Å; I31-F57 HydrophobicContact CG2-CD2 3.82Å; I31-F57 HydrophobicContact CG2-CE2 4.1Å; I31-C93 HydrophobicContact CD1-CB 4.33Å; I31-I95 HydrophobicContact CB-CD1 4.41Å; I31-I95 HydrophobicContact CB-CG1 4.29Å; I31-I95 HydrophobicContact CG2-CD1 3.4Å; I31-I95 HydrophobicContact CG2-CG1 3.7Å
32	L	95.2	Very high	94.4	Very high	80 Å²	80	65.8 Å²	65.8	42%	0.419	34%	0.342	S	S	.	.			trans	-86.2	-47.8	-176.4	-59.6	178.7	0	0	0	112.1	E55 L56	L32-E55 WeakPolarHBondContact CB-O 3.37Å; L32-E55 HydrophobicContact CD1-CB 3.88Å; L32-E55 HydrophobicContact CD1-CG 4.22Å; L32-E55 HydrophobicContact CG-CB 3.93Å; L32-E55 HydrophobicContact CG-CG 4.26Å; L32-E55 PolarHBondContact N-O 3.22Å; L32-L56 HydrophobicContact CB-CD2 4.27Å
33	A	97.7	Very high	94.6	Very high	5 Å²	5	63.2 Å²	63.2	4%	0.041	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	156.7	-174	0	0	0	0	0	113.8	V35 E55 L56 F57 D97 I99	A33-V35 HydrophobicContact CB-CG2 4.46Å; A33-E55 PolarHBondContact N-O 2.76Å; A33-L56 HydrophobicContact CB-CD2 3.99Å; A33-L56 WeakPolarHBondContact O-CA 3.45Å; A33-F57 PolarHBondContact O-N 3.48Å; A33-F57 VanDerWaalsContact O-N 3.11Å; A33-D97 CarbonylContact C-O 3.56Å; A33-D97 VanDerWaalsContact CA-O 3.31Å; A33-D97 WeakPolarHBondContact CA-O 3.18Å; A33-D97 HydrophobicContact CB-CB 4.15Å; A33-I99 HydrophobicContact CB-CD1 3.92Å; A33-I99 HydrophobicContact CB-CG1 4.29Å
34	A	98.3	Very high	94.7	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	137.8	159.9	0	0	0	0	0	108.8	F57 F85 T89 L90 D97 I98 I99	A34-F57 CarbonylContact C-O 3.6Å; A34-F57 WeakPolarHBondContact CA-O 3.15Å; A34-F85 HydrophobicContact CB-CE1 4.08Å; A34-F85 HydrophobicContact CB-CZ 4.03Å; A34-T89 HydrophobicContact CB-CG2 4.09Å; A34-L90 HydrophobicContact CB-CD2 4.04Å; A34-D97 PolarHBondContact N-O 2.88Å; A34-I98 HydrophobicContact CB-CB 4.43Å; A34-I98 HydrophobicContact CB-CG1 4.32Å; A34-I98 CarbonylContact O-C 3.58Å; A34-I98 VanDerWaalsContact O-CA 3.28Å; A34-I98 WeakPolarHBondContact O-CA 3.3Å; A34-I99 PolarHBondContact O-N 3.4Å
35	V	98.5	Very high	95	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	126.9	-176.3	-170	0	0	0	0	110.3	A33 A37 T45 L49 L56 F57 I58 E59 I99 C101	A33-V35 HydrophobicContact CB-CG2 4.46Å; V35-A37 HydrophobicContact CG1-CB 4.42Å; V35-T45 HydrophobicContact CG1-CG2 3.77Å; V35-L49 HydrophobicContact CG2-CD1 4.37Å; V35-L56 HydrophobicContact CG2-CD1 4.45Å; V35-L56 HydrophobicContact CG2-CD2 4.15Å; V35-F57 PolarHBondContact N-O 3.02Å; V35-I58 HydrophobicContact CB-CG1 4.39Å; V35-I58 CarbonylContact O-C 3.52Å; V35-I58 WeakPolarHBondContact O-CA 3.47Å; V35-E59 PolarHBondContact O-N 3.38Å; V35-I99 CarbonylContact C-O 3.52Å; V35-I99 WeakPolarHBondContact CA-O 3.28Å; V35-I99 HydrophobicContact CG1-CB 4.29Å; V35-I99 HydrophobicContact CG1-CG2 4.46Å; V35-I99 HydrophobicContact CG2-CB 4.3Å; V35-I99 HydrophobicContact CG2-CD1 4.38Å; V35-C101 HydrophobicContact CG1-CB 4.2Å
36	V	98.6	Very high	95.2	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	116.1	168.9	-177.5	0	0	0	0	107.8	E59 V66 F85 I98 I99 I100 C101	V36-E59 WeakPolarHBondContact CA-O 3.48Å; V36-E59 HydrophobicContact CG2-CB 4.43Å; V36-V66 HydrophobicContact CB-CG2 4.35Å; V36-V66 HydrophobicContact CG1-CG2 4.13Å; V36-V66 HydrophobicContact CG2-CG2 4.11Å; V36-F85 HydrophobicContact CG2-CD1 4.34Å; V36-F85 HydrophobicContact CG2-CE1 3.97Å; V36-I98 HydrophobicContact CG2-CD1 4.39Å; V36-I99 PolarHBondContact N-O 3.36Å; V36-I100 HydrophobicContact CB-CD1 3.95Å; V36-I100 HydrophobicContact CG2-CD1 4.12Å; V36-C101 PolarHBondContact O-N 3.09Å
37	A	98.5	Very high	95.4	Very high	0 Å²	0	59 Å²	59	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	166.8	-173.5	0	0	0	0	0	112.5	V35 V43 T45 E59 R60 N61 N64 C101	V35-A37 HydrophobicContact CG1-CB 4.42Å; A37-V43 HydrophobicContact CB-CG1 4.36Å; A37-T45 HydrophobicContact CB-CG2 3.62Å; A37-E59 PolarHBondContact N-O 2.89Å; A37-R60 VanDerWaalsContact O-CA 3.28Å; A37-R60 WeakPolarHBondContact O-CA 3.49Å; A37-N61 PolarHBondContact O-N 3.44Å; A37-N61 VanDerWaalsContact O-N 3.14Å; A37-N64 VanDerWaalsContact C-CB 3.46Å; A37-C101 HydrophobicContact CB-CB 4.03Å
38	C	98.3	Very high	95.6	Very high	6 Å²	6	53.2 Å²	53.2	4%	0.041	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	150.6	176.8	-171	0	0	0	0	110.5	D40 R60 N61 G63 N64 H103	C38-D40 HydrophobicContact CB-CB 4.35Å; C38-D40 PolarHBondContact O-N 3.03Å; C38-R60 VanDerWaalsContact O-CZ 3.32Å; C38-R60 PolarHBondContact O-NE 3.26Å; C38-R60 PolarHBondContact O-NH2 3.47Å; C38-N61 CarbonylContact C-O 3.59Å; C38-N61 VanDerWaalsContact CA-O 3.29Å; C38-N61 WeakPolarHBondContact CA-O 3.44Å; C38-G63 PolarHBondContact SG-N 2.77Å; C38-N64 HydrophobicContact CB-CB 4.48Å; C38-H103 VanDerWaalsContact CB-CD2 3.45Å; C38-H103 WeakPolarHBondContact CB-CD2 3.33Å; C38-H103 VanDerWaalsContact CB-NE2 3.3Å; C38-H103 WeakPolarHBondContact CB-NE2 3.45Å; C38-H103 PolarHBondContact SG-NE2 2.73Å
39	V	97.7	Very high	95.8	Very high	73 Å²	73	48 Å²	48	44%	0.442	26%	0.26	S	S	.	.			trans	-69.7	-5.1	170.5	-65.2	0	0	0	0	113.9	S41 R60 N61 P62	V39-S41 PolarHBondContact O-N 3.25Å; V39-R60 HydrophobicContact CG1-CB 3.96Å; V39-R60 PolarHBondContact O-NH2 2.62Å; V39-N61 PolarHBondContact N-O 2.88Å; V39-N61 VanDerWaalsContact N-O 3.1Å; V39-P62 HydrophobicContact CG2-CB 4.26Å; V39-P62 HydrophobicContact CG2-CG 4.05Å
40	D	97.5	Very high	96.1	Very high	18 Å²	18	49.3 Å²	49.3	10%	0.096	27%	0.27	C	S	.	.			trans	-53.2	123.5	178.1	-168.2	-57.2	0	0	0	111.1	C38 R42 V43 R60 H103	C38-D40 HydrophobicContact CB-CB 4.35Å; C38-D40 PolarHBondContact O-N 3.03Å; D40-R42 PolarHBondContact O-N 3.25Å; D40-R42 VanDerWaalsContact OD1-CB 3.25Å; D40-R42 WeakPolarHBondContact OD1-CB 3.35Å; D40-R42 WeakPolarHBondContact OD1-CG 3.39Å; D40-R42 IonicContact OD1-CZ 3.32Å; D40-R42 PolarHBondContact OD1-N 3.18Å; D40-R42 IonicContact OD1-NE 3.24Å; D40-R42 PolarHBondContact OD1-NE 2.97Å; D40-R42 IonicContact OD1-NH2 3.45Å; D40-R42 IonicContact OD2-CZ 2.79Å; D40-R42 IonicContact OD2-NE 2.91Å; D40-R42 PolarHBondContact OD2-NE 3.23Å; D40-R42 IonicContact OD2-NH2 3.46Å; D40-R42 PolarHBondContact OD2-NH2 2.74Å; D40-V43 HydrophobicContact CB-CG2 4.2Å; D40-V43 PolarHBondContact O-N 2.73Å; D40-R60 PolarHBondContact O-NH2 3.31Å; D40-H103 IonicContact OD2-CE1 2.94Å; D40-H103 PolarHBondContact OD2-CE1 3.18Å
41	S	95.2	Very high	96.2	Very high	113 Å²	113	45.9 Å²	45.9	79%	0.79	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-16.1	-173.5	55.9	0	0	0	0	114.1	V39	V39-S41 PolarHBondContact O-N 3.25Å
42	R	95.8	Very high	96.1	Very high	97 Å²	97	47.5 Å²	47.5	37%	0.366	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-19.3	175.6	-59.4	170.4	-73.8	-179.7	0.9	112.7	D40 D105 F236	D40-R42 PolarHBondContact O-N 3.25Å; D40-R42 VanDerWaalsContact OD1-CB 3.25Å; D40-R42 WeakPolarHBondContact OD1-CB 3.35Å; D40-R42 WeakPolarHBondContact OD1-CG 3.39Å; D40-R42 IonicContact OD1-CZ 3.32Å; D40-R42 PolarHBondContact OD1-N 3.18Å; D40-R42 IonicContact OD1-NE 3.24Å; D40-R42 PolarHBondContact OD1-NE 2.97Å; D40-R42 IonicContact OD1-NH2 3.45Å; D40-R42 IonicContact OD2-CZ 2.79Å; D40-R42 IonicContact OD2-NE 2.91Å; D40-R42 PolarHBondContact OD2-NE 3.23Å; D40-R42 IonicContact OD2-NH2 3.46Å; D40-R42 PolarHBondContact OD2-NH2 2.74Å; R42-D105 IonicContact CZ-OD2 3.79Å; R42-D105 IonicContact NH1-OD2 3.41Å; R42-D105 PolarHBondContact NH1-OD2 3.33Å; R42-D105 PolarHBondContact NH2-O 3.26Å; R42-D105 VanDerWaalsContact NH2-O 3.11Å; R42-D105 IonicContact NH2-OD2 2.74Å; R42-D105 PolarHBondContact NH2-OD2 2.87Å; R42-F236 HydrophobicContact CB-CD1 4.37Å; R42-F236 HydrophobicContact CB-CE1 3.65Å; R42-F236 HydrophobicContact CB-CE2 4.38Å; R42-F236 HydrophobicContact CB-CZ 3.66Å
43	V	96.2	Very high	95.9	Very high	1 Å²	1	46 Å²	46	1%	0.006	26%	0.256	C	S	.	.			trans	-93.9	101.3	179.3	-175.7	0	0	0	0	109.3	A37 D40 T45 L48 R60 H103 F234 F236	A37-V43 HydrophobicContact CB-CG1 4.36Å; D40-V43 HydrophobicContact CB-CG2 4.2Å; D40-V43 PolarHBondContact O-N 2.73Å; V43-T45 HydrophobicContact CG1-CG2 4.21Å; V43-L48 HydrophobicContact CG1-CD1 4.29Å; V43-R60 PolarHBondContact O-NH2 3Å; V43-H103 HydrophobicContact CG2-CB 3.82Å; V43-F234 HydrophobicContact CG2-CD1 4.47Å; V43-F236 HydrophobicContact CG2-CE1 3.9Å; V43-F236 HydrophobicContact CG2-CZ 3.89Å
44	L	95.6	Very high	95.6	Very high	87 Å²	87	46.9 Å²	46.9	46%	0.455	27%	0.266	S	S	.	.			trans	-117.9	89.6	173.6	-175.3	64.1	0	0	0	109.1	S46 K47 L48	L44-S46 VanDerWaalsContact C-N 3.28Å; L44-S46 PolarHBondContact O-N 2.92Å; L44-K47 HydrophobicContact CB-CB 4.19Å; L44-K47 HydrophobicContact CD2-CB 3.81Å; L44-K47 HydrophobicContact CD2-CD 4.37Å; L44-K47 HydrophobicContact CG-CB 3.93Å; L44-K47 WeakPolarHBondContact O-CA 3.28Å; L44-K47 WeakPolarHBondContact O-CB 3.47Å; L44-K47 PolarHBondContact O-N 3.46Å; L44-L48 WeakPolarHBondContact O-CG 3.48Å; L44-L48 PolarHBondContact O-N 3.45Å
45	T	96.4	Very high	95.4	Very high	4 Å²	4	48.4 Å²	48.4	3%	0.025	27%	0.273	C	S	.	.	H	α-helix	trans	-57.2	-37.5	-172	49.9	0	0	0	0	113.2	V35 A37 V43 K47 L48 L49 I58 C101	V35-T45 HydrophobicContact CG1-CG2 3.77Å; A37-T45 HydrophobicContact CB-CG2 3.62Å; V43-T45 HydrophobicContact CG1-CG2 4.21Å; T45-K47 PolarHBondContact O-N 3.42Å; T45-L48 PolarHBondContact O-N 2.98Å; T45-L49 WeakPolarHBondContact O-CB 3.25Å; T45-L49 WeakPolarHBondContact O-CG 3.08Å; T45-L49 PolarHBondContact O-N 3.15Å; T45-I58 VanDerWaalsContact OG1-CD1 3.27Å; T45-I58 WeakPolarHBondContact OG1-CD1 3.44Å; T45-C101 HydrophobicContact CG2-CB 4.28Å
46	S	94.9	Very high	95.3	Very high	40 Å²	40	49.6 Å²	49.6	28%	0.28	28%	0.279	S	S	.	.	H	α-helix	trans	-61.7	-32.7	175.6	55.9	0	0	0	0	113.4	L44 C50 S51	L44-S46 VanDerWaalsContact C-N 3.28Å; L44-S46 PolarHBondContact O-N 2.92Å; S46-C50 PolarHBondContact O-N 3.24Å; S46-S51 WeakPolarHBondContact CA-OG 3.5Å; S46-S51 WeakPolarHBondContact CB-OG 3.43Å; S46-S51 PolarHBondContact O-N 3.42Å; S46-S51 PolarHBondContact O-OG 3.38Å
47	K	95.2	Very high	95.3	Very high	161 Å²	161	52.5 Å²	52.5	70%	0.7	29%	0.292	S	S	*	.	H	α-helix	trans	-78	-42.9	173.8	-174.5	175.4	-179.5	-179.1	0	111.5	L44 T45 L49 C50	L44-K47 HydrophobicContact CB-CB 4.19Å; L44-K47 HydrophobicContact CD2-CB 3.81Å; L44-K47 HydrophobicContact CD2-CD 4.37Å; L44-K47 HydrophobicContact CG-CB 3.93Å; L44-K47 WeakPolarHBondContact O-CA 3.28Å; L44-K47 WeakPolarHBondContact O-CB 3.47Å; L44-K47 PolarHBondContact O-N 3.46Å; T45-K47 PolarHBondContact O-N 3.42Å; K47-L49 VanDerWaalsContact C-N 3.28Å; K47-L49 PolarHBondContact O-N 2.99Å; K47-C50 PolarHBondContact O-N 3.24Å
48	L	94.9	Very high	95.2	Very high	39 Å²	39	55.6 Å²	55.6	20%	0.204	31%	0.308	C	S	.	.	H	α-helix	trans	-60.6	-39	178.5	-64.1	177.1	0	0	0	112	V43 L44 T45 F234 V241	V43-L48 HydrophobicContact CG1-CD1 4.29Å; L44-L48 WeakPolarHBondContact O-CG 3.48Å; L44-L48 PolarHBondContact O-N 3.45Å; T45-L48 PolarHBondContact O-N 2.98Å; L48-F234 HydrophobicContact CD1-CB 3.98Å; L48-F234 HydrophobicContact CD1-CD1 3.83Å; L48-F234 HydrophobicContact CD1-CD2 4.26Å; L48-F234 HydrophobicContact CD1-CE1 4.39Å; L48-F234 HydrophobicContact CD1-CG 3.77Å; L48-F234 HydrophobicContact CD2-CD1 4.03Å; L48-F234 HydrophobicContact CD2-CD2 3.67Å; L48-F234 HydrophobicContact CD2-CE1 3.87Å; L48-F234 HydrophobicContact CD2-CE2 3.53Å; L48-F234 HydrophobicContact CD2-CG 3.96Å; L48-F234 HydrophobicContact CD2-CZ 3.65Å; L48-V241 HydrophobicContact CB-CG2 4.18Å; L48-V241 HydrophobicContact CD2-CG2 4.24Å
49	L	94.7	Very high	95.2	Very high	60 Å²	60	56 Å²	56	31%	0.314	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	1.2	-178.9	-65.1	171.9	0	0	0	113.4	V35 T45 K47 S51 L56 I99 M232	V35-L49 HydrophobicContact CG2-CD1 4.37Å; T45-L49 WeakPolarHBondContact O-CB 3.25Å; T45-L49 WeakPolarHBondContact O-CG 3.08Å; T45-L49 PolarHBondContact O-N 3.15Å; K47-L49 VanDerWaalsContact C-N 3.28Å; K47-L49 PolarHBondContact O-N 2.99Å; L49-S51 PolarHBondContact O-N 3Å; L49-L56 HydrophobicContact CB-CD1 4.32Å; L49-L56 HydrophobicContact CD1-CD1 3.74Å; L49-L56 HydrophobicContact CD1-CD2 4.25Å; L49-I99 HydrophobicContact CD1-CD1 4.1Å; L49-M232 HydrophobicContact CD1-CE 4.45Å; L49-M232 HydrophobicContact CD2-CE 4.33Å; L49-M232 HydrophobicContact CD2-SD 3.72Å; L49-M232 HydrophobicContact CG-CE 4.37Å; L49-M232 HydrophobicContact CG-SD 4.39Å
50	C	93.6	Very high	95.2	Very high	112 Å²	112	57.2 Å²	57.2	76%	0.757	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	37.9	-176.9	-66.6	0	0	0	0	113.4	S46 K47	S46-C50 PolarHBondContact O-N 3.24Å; K47-C50 PolarHBondContact O-N 3.24Å
51	S	93.4	Very high	95.2	Very high	19 Å²	19	56.8 Å²	56.8	13%	0.133	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-86.5	145.8	-175.5	68.1	0	0	0	0	112.2	S46 L49 E55 L56	S46-S51 WeakPolarHBondContact CA-OG 3.5Å; S46-S51 WeakPolarHBondContact CB-OG 3.43Å; S46-S51 PolarHBondContact O-N 3.42Å; S46-S51 PolarHBondContact O-OG 3.38Å; L49-S51 PolarHBondContact O-N 3Å; S51-E55 VanDerWaalsContact CA-OE2 3.28Å; S51-E55 WeakPolarHBondContact CA-OE2 3.36Å; S51-L56 VanDerWaalsContact OG-CD1 3.25Å; S51-L56 WeakPolarHBondContact OG-CD1 3.48Å
52	N	91.7	Very high	95.3	Very high	83 Å²	83	53.3 Å²	53.3	44%	0.444	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-79.3	171.8	169.9	-58.7	-64.4	0	0	0	112.4	G54 E55	N52-G54 PolarHBondContact O-N 2.93Å; N52-E55 HydrophobicContact CB-CG 4.1Å; N52-E55 PolarHBondContact N-OE2 3.42Å; N52-E55 PolarHBondContact ND2-OE1 3Å; N52-E55 WeakPolarHBondContact O-CB 3.43Å; N52-E55 PolarHBondContact O-N 3.5Å
53	V	90.3	Very high	95.4	Very high	48 Å²	48	48.7 Å²	48.7	29%	0.291	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	129.9	174.9	179.3	0	0	0	0	110.3	F18 Q21 L22 E55	F18-V53 HydrophobicContact CD2-CG2 3.81Å; F18-V53 HydrophobicContact CE2-CB 4.48Å; F18-V53 HydrophobicContact CE2-CG1 4.18Å; F18-V53 HydrophobicContact CE2-CG2 3.52Å; Q21-V53 HydrophobicContact CB-CB 4.47Å; Q21-V53 VanDerWaalsContact OE1-CG2 3.28Å; L22-V53 HydrophobicContact CD2-CG1 3.53Å; L22-V53 HydrophobicContact CG-CG1 4.39Å; V53-E55 VanDerWaalsContact C-N 3.31Å; V53-E55 PolarHBondContact O-N 2.92Å
54	G	91.5	Very high	95.5	Very high	24 Å²	24	48.7 Å²	48.7	25%	0.247	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.5	-11	178.8	0	0	0	0	0	114.8	F25 N52 L56	F25-G54 VanDerWaalsContact CE2-C 3.44Å; F25-G54 WeakPolarHBondContact CE2-O 3.36Å; F25-G54 WeakPolarHBondContact CZ-O 3.26Å; N52-G54 PolarHBondContact O-N 2.93Å; G54-L56 PolarHBondContact O-N 3.41Å
55	E	95	Very high	95.5	Very high	31 Å²	31	44.5 Å²	44.5	15%	0.145	24%	0.239	C	C	.	.	S	Bend	trans	-75.7	-21.5	-178.4	-70.7	-175.6	169	0	0	113.5	L32 A33 S51 N52 V53	L32-E55 WeakPolarHBondContact CB-O 3.37Å; L32-E55 HydrophobicContact CD1-CB 3.88Å; L32-E55 HydrophobicContact CD1-CG 4.22Å; L32-E55 HydrophobicContact CG-CB 3.93Å; L32-E55 HydrophobicContact CG-CG 4.26Å; L32-E55 PolarHBondContact N-O 3.22Å; A33-E55 PolarHBondContact N-O 2.76Å; S51-E55 VanDerWaalsContact CA-OE2 3.28Å; S51-E55 WeakPolarHBondContact CA-OE2 3.36Å; N52-E55 HydrophobicContact CB-CG 4.1Å; N52-E55 PolarHBondContact N-OE2 3.42Å; N52-E55 PolarHBondContact ND2-OE1 3Å; N52-E55 WeakPolarHBondContact O-CB 3.43Å; N52-E55 PolarHBondContact O-N 3.5Å; V53-E55 VanDerWaalsContact C-N 3.31Å; V53-E55 PolarHBondContact O-N 2.92Å
56	L	96.9	Very high	95.5	Very high	25 Å²	25	44.3 Å²	44.3	13%	0.131	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	136	-179.2	-58.3	177.9	0	0	0	111.8	L32 A33 V35 L49 S51 G54 I58	L32-L56 HydrophobicContact CB-CD2 4.27Å; A33-L56 HydrophobicContact CB-CD2 3.99Å; A33-L56 WeakPolarHBondContact O-CA 3.45Å; V35-L56 HydrophobicContact CG2-CD1 4.45Å; V35-L56 HydrophobicContact CG2-CD2 4.15Å; L49-L56 HydrophobicContact CB-CD1 4.32Å; L49-L56 HydrophobicContact CD1-CD1 3.74Å; L49-L56 HydrophobicContact CD1-CD2 4.25Å; S51-L56 VanDerWaalsContact OG-CD1 3.25Å; S51-L56 WeakPolarHBondContact OG-CD1 3.48Å; G54-L56 PolarHBondContact O-N 3.41Å; L56-I58 HydrophobicContact CB-CD1 4.17Å; L56-I58 HydrophobicContact CB-CG1 3.93Å; L56-I58 HydrophobicContact CD1-CD1 4.48Å
57	F	97.7	Very high	95.3	Very high	61 Å²	61	42.7 Å²	42.7	27%	0.268	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	129.3	158.9	-80.7	-101.5	0	0	0	108.4	I31 A33 A34 V35 F85 L88 T89 I95	I31-F57 HydrophobicContact CD1-CD2 4.47Å; I31-F57 HydrophobicContact CD1-CE2 3.68Å; I31-F57 HydrophobicContact CG1-CE2 4.11Å; I31-F57 HydrophobicContact CG2-CD2 3.82Å; I31-F57 HydrophobicContact CG2-CE2 4.1Å; A33-F57 PolarHBondContact O-N 3.48Å; A33-F57 VanDerWaalsContact O-N 3.11Å; A34-F57 CarbonylContact C-O 3.6Å; A34-F57 WeakPolarHBondContact CA-O 3.15Å; V35-F57 PolarHBondContact N-O 3.02Å; F57-F85 HydrophobicContact CB-CE2 3.94Å; F57-F85 HydrophobicContact CB-CZ 4.19Å; F57-L88 HydrophobicContact CE1-CD2 4.3Å; F57-T89 HydrophobicContact CB-CG2 3.47Å; F57-T89 VanDerWaalsContact CB-CG2 3.47Å; F57-T89 HydrophobicContact CD1-CG2 3.89Å; F57-T89 HydrophobicContact CG-CG2 3.72Å; F57-I95 HydrophobicContact CB-CD1 4.49Å; F57-I95 HydrophobicContact CD2-CD1 3.7Å; F57-I95 HydrophobicContact CE2-CD1 4.3Å; F57-I95 HydrophobicContact CG-CD1 4.31Å
58	I	97.7	Very high	94.7	Very high	66 Å²	66	36.6 Å²	36.6	34%	0.338	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	115.5	-172	-52.7	162.4	0	0	0	110.1	V35 T45 L56 R60	V35-I58 HydrophobicContact CB-CG1 4.39Å; V35-I58 CarbonylContact O-C 3.52Å; V35-I58 WeakPolarHBondContact O-CA 3.47Å; T45-I58 VanDerWaalsContact OG1-CD1 3.27Å; T45-I58 WeakPolarHBondContact OG1-CD1 3.44Å; L56-I58 HydrophobicContact CB-CD1 4.17Å; L56-I58 HydrophobicContact CB-CG1 3.93Å; L56-I58 HydrophobicContact CD1-CD1 4.48Å; I58-R60 HydrophobicContact CG2-CG 3.77Å
59	E	97.6	Very high	93.6	Very high	13 Å²	13	37.6 Å²	37.6	6%	0.061	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	135.8	163.3	-173.9	-172.4	158.8	0	0	109.3	V35 V36 A37 N61 T82 F85	V35-E59 PolarHBondContact O-N 3.38Å; V36-E59 WeakPolarHBondContact CA-O 3.48Å; V36-E59 HydrophobicContact CG2-CB 4.43Å; A37-E59 PolarHBondContact N-O 2.89Å; E59-N61 PolarHBondContact OE1-ND2 3.28Å; E59-T82 PolarHBondContact OE1-OG1 3.45Å; E59-T82 WeakPolarHBondContact OE2-CA 3.32Å; E59-T82 WeakPolarHBondContact OE2-CG2 3.15Å; E59-F85 HydrophobicContact CB-CD1 3.81Å; E59-F85 HydrophobicContact CB-CD2 3.84Å; E59-F85 HydrophobicContact CB-CE1 3.87Å; E59-F85 HydrophobicContact CB-CE2 3.88Å; E59-F85 HydrophobicContact CB-CG 3.79Å; E59-F85 HydrophobicContact CB-CZ 3.9Å; E59-F85 HydrophobicContact CG-CG 4.41Å; E59-F85 WeakPolarHBondContact OE2-CB 3.45Å; E59-F85 VanDerWaalsContact OE2-CD1 3.26Å; E59-F85 WeakPolarHBondContact OE2-CD1 3.47Å; E59-F85 WeakPolarHBondContact OE2-CG 3.29Å
60	R	97.8	Very high	92.2	Very high	99 Å²	99	40 Å²	40	37%	0.374	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	122.1	175.5	-56.7	-173.1	68	-172.2	2	111.1	A37 C38 V39 D40 V43 I58	A37-R60 VanDerWaalsContact O-CA 3.28Å; A37-R60 WeakPolarHBondContact O-CA 3.49Å; C38-R60 VanDerWaalsContact O-CZ 3.32Å; C38-R60 PolarHBondContact O-NE 3.26Å; C38-R60 PolarHBondContact O-NH2 3.47Å; V39-R60 HydrophobicContact CG1-CB 3.96Å; V39-R60 PolarHBondContact O-NH2 2.62Å; D40-R60 PolarHBondContact O-NH2 3.31Å; V43-R60 PolarHBondContact O-NH2 3Å; I58-R60 HydrophobicContact CG2-CG 3.77Å
61	N	97.3	Very high	90.4	Very high	10 Å²	10	36.8 Å²	36.8	5%	0.053	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	161.6	174.5	64.9	54.6	0	0	0	111	A37 C38 V39 E59 G63 N64 F65 W152	A37-N61 PolarHBondContact O-N 3.44Å; A37-N61 VanDerWaalsContact O-N 3.14Å; C38-N61 CarbonylContact C-O 3.59Å; C38-N61 VanDerWaalsContact CA-O 3.29Å; C38-N61 WeakPolarHBondContact CA-O 3.44Å; V39-N61 PolarHBondContact N-O 2.88Å; V39-N61 VanDerWaalsContact N-O 3.1Å; E59-N61 PolarHBondContact OE1-ND2 3.28Å; N61-G63 PolarHBondContact O-N 2.94Å; N61-N64 PolarHBondContact O-N 2.84Å; N61-N64 WeakPolarHBondContact OD1-CA 3.46Å; N61-N64 PolarHBondContact OD1-N 2.57Å; N61-N64 VanDerWaalsContact OD1-N 3.15Å; N61-F65 PolarHBondContact ND2-O 2.79Å; N61-F65 PolarHBondContact OD1-N 2.92Å; N61-W152 HydrophobicContact CB-CH2 4.47Å; N61-W152 HydrophobicContact CB-CZ2 3.72Å
62	P	97.1	Very high	88.2	Confident	40 Å²	40	41.6 Å²	41.6	26%	0.26	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	108.3	177.8	-21.4	33	0	0	0	111.1	V39 F65 L149 W152 I153	V39-P62 HydrophobicContact CG2-CB 4.26Å; V39-P62 HydrophobicContact CG2-CG 4.05Å; P62-F65 WeakPolarHBondContact O-CD2 3.4Å; P62-F65 WeakPolarHBondContact O-CE2 3.49Å; P62-L149 HydrophobicContact CB-CD1 3.68Å; P62-L149 HydrophobicContact CG-CD1 3.96Å; P62-W152 PolarHBondContact O-NE1 3.39Å; P62-I153 HydrophobicContact CB-CD1 4.29Å
63	G	97.4	Very high	86.3	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.3	13.9	178	0	0	0	0	0	116.1	C38 N61 F65 A108 N204	C38-G63 PolarHBondContact SG-N 2.77Å; N61-G63 PolarHBondContact O-N 2.94Å; G63-F65 PolarHBondContact O-N 3.25Å; G63-F65 VanDerWaalsContact O-N 3.16Å; G63-A108 VanDerWaalsContact CA-CB 3.46Å; G63-N204 PolarHBondContact O-ND2 3.26Å
64	N	98.1	Very high	84.2	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.254	C	S	.	.			trans	50.5	39.9	175	58.2	-96.5	0	0	0	113.8	A37 C38 N61 C101	A37-N64 VanDerWaalsContact C-CB 3.46Å; C38-N64 HydrophobicContact CB-CB 4.48Å; N61-N64 PolarHBondContact O-N 2.84Å; N61-N64 WeakPolarHBondContact OD1-CA 3.46Å; N61-N64 PolarHBondContact OD1-N 2.57Å; N61-N64 VanDerWaalsContact OD1-N 3.15Å; N64-C101 WeakPolarHBondContact CB-O 3.42Å; N64-C101 VanDerWaalsContact CG-O 3.25Å; N64-C101 PolarHBondContact OD1-O 3.25Å
65	F	97.1	Very high	82.2	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.276	C	S	.	.			trans	-75.5	147.5	-178.8	-67.8	-72.5	0	0	0	112.2	N61 P62 G63 M109 W152 I153 N156 G157 N204 Q208	N61-F65 PolarHBondContact ND2-O 2.79Å; N61-F65 PolarHBondContact OD1-N 2.92Å; P62-F65 WeakPolarHBondContact O-CD2 3.4Å; P62-F65 WeakPolarHBondContact O-CE2 3.49Å; G63-F65 PolarHBondContact O-N 3.25Å; G63-F65 VanDerWaalsContact O-N 3.16Å; F65-M109 HydrophobicContact CE1-CE 4.04Å; F65-M109 HydrophobicContact CE2-CE 4.11Å; F65-M109 HydrophobicContact CZ-CE 3.41Å; F65-M109 VanDerWaalsContact CZ-CE 3.41Å; F65-W152 HydrophobicContact CB-CZ2 4.04Å; F65-W152 HydrophobicContact CD2-CZ2 4.45Å; F65-W152 AromaticContact CD2-NE1 3.62Å; F65-I153 HydrophobicContact CD2-CD1 4.47Å; F65-I153 HydrophobicContact CE2-CD1 3.55Å; F65-I153 HydrophobicContact CZ-CD1 4.29Å; F65-N156 HydrophobicContact CB-CB 3.66Å; F65-N156 HydrophobicContact CD1-CB 3.57Å; F65-N156 VanDerWaalsContact CD1-O 3.29Å; F65-N156 WeakPolarHBondContact CD1-O 3.43Å; F65-N156 HydrophobicContact CD2-CB 4.02Å; F65-N156 HydrophobicContact CE1-CB 4.21Å; F65-N156 WeakPolarHBondContact CE1-O 3.47Å; F65-N156 HydrophobicContact CG-CB 3.46Å; F65-N156 VanDerWaalsContact CG-CB 3.46Å; F65-G157 VanDerWaalsContact CE1-CA 3.43Å; F65-N204 VanDerWaalsContact CE1-OD1 3.26Å; F65-N204 WeakPolarHBondContact CE1-OD1 3.41Å; F65-Q208 HydrophobicContact CD1-CG 4.37Å
66	V	95.9	Very high	80.3	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.289	C	S	.	.			trans	-115.8	113.5	164.3	171.7	0	0	0	0	106.2	V36 C68 T82 I100 Q208 N211 V212 Y215	V36-V66 HydrophobicContact CB-CG2 4.35Å; V36-V66 HydrophobicContact CG1-CG2 4.13Å; V36-V66 HydrophobicContact CG2-CG2 4.11Å; V66-C68 PolarHBondContact O-N 2.92Å; V66-T82 HydrophobicContact CB-CG2 4.48Å; V66-T82 HydrophobicContact CG1-CG2 4.16Å; V66-T82 HydrophobicContact CG2-CG2 4.43Å; V66-I100 HydrophobicContact CG2-CD1 3.61Å; V66-Q208 HydrophobicContact CB-CB 4.27Å; V66-Q208 HydrophobicContact CG2-CB 4.34Å; V66-Q208 PolarHBondContact O-OE1 3.04Å; V66-N211 HydrophobicContact CB-CB 4.18Å; V66-N211 HydrophobicContact CG1-CB 3.96Å; V66-N211 WeakPolarHBondContact O-CB 2.89Å; V66-N211 PolarHBondContact O-ND2 2.74Å; V66-V212 HydrophobicContact CG1-CG2 4.06Å; V66-V212 HydrophobicContact CG2-CG2 4.28Å; V66-Y215 HydrophobicContact CG1-CE2 3.67Å
67	C	91.1	Very high	78.6	Confident	6 Å²	6	57.5 Å²	57.5	4%	0.041	29%	0.291	C	S	.	.			trans	-57.1	137.2	180	-58.8	0	0	0	0	110.2	C80 N156 Y215	C67-C80 HydrophobicContact CB-CB 4.06Å; C67-C80 WeakPolarHBondContact CB-SG 3.26Å; C67-C80 WeakPolarHBondContact SG-CB 3.39Å; C67-C80 CovalentContact SG-SG 2.04Å; C67-C80 PolarHBondContact SG-SG 2.88Å; C67-N156 PolarHBondContact SG-OD1 3.4Å; C67-Y215 WeakPolarHBondContact O-CE2 3.45Å; C67-Y215 PolarHBondContact O-OH 3.37Å
68	C	82.1	Confident	77	Confident	33 Å²	33	63.4 Å²	63.4	22%	0.223	32%	0.319	C	S	.	.			trans	-83.2	125.9	174.7	-177.2	0	0	0	0	109.3	V66 K70 S71	V66-C68 PolarHBondContact O-N 2.92Å; C68-K70 VanDerWaalsContact C-N 3.25Å; C68-K70 PolarHBondContact O-N 3.49Å; C68-S71 PolarHBondContact O-N 2.51Å
69	E	72.6	Confident	75.8	Confident	60 Å²	60	66.6 Å²	66.6	28%	0.28	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-36.7	-177.1	-162.3	-171.4	177.5	0	0	111.5	F76 S214 Y215 E216	E69-F76 HydrophobicContact CB-CE2 4.12Å; E69-F76 HydrophobicContact CG-CE2 3.53Å; E69-F76 HydrophobicContact CG-CZ 4.21Å; E69-F76 WeakPolarHBondContact O-CD2 3.4Å; E69-F76 WeakPolarHBondContact O-CE2 3.26Å; E69-S214 PolarHBondContact N-OG 3.1Å; E69-S214 VanDerWaalsContact N-OG 3.14Å; E69-Y215 HydrophobicContact CB-CD1 4.36Å; E69-Y215 VanDerWaalsContact OE2-CA 3.24Å; E69-Y215 WeakPolarHBondContact OE2-CA 3.34Å; E69-E216 PolarHBondContact OE2-N 2.99Å
70	K	64.7	Low	75.2	Confident	110 Å²	110	66.7 Å²	66.7	48%	0.478	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	40.6	-176.7	-57	-174.2	-177.5	-179.3	0	111.4	C68 S72 I177 E216	C68-K70 VanDerWaalsContact C-N 3.25Å; C68-K70 PolarHBondContact O-N 3.49Å; K70-S72 PolarHBondContact O-N 2.82Å; K70-I177 HydrophobicContact CB-CD1 4.16Å; K70-I177 HydrophobicContact CD-CG2 4.06Å; K70-E216 IonicContact NZ-OE2 3.69Å
71	S	55.4	Low	74.9	Confident	45 Å²	45	67 Å²	67	32%	0.315	35%	0.351	S	S	.	.			trans	-58.3	137.2	175.3	102.4	0	0	0	0	109.2	C68 L73	C68-S71 PolarHBondContact O-N 2.51Å; S71-L73 PolarHBondContact O-N 2.84Å; S71-L73 PolarHBondContact OG-N 3.48Å; S71-L73 PolarHBondContact OG-O 2.85Å
72	S	47.1	Very low	74.7	Confident	119 Å²	119	66.5 Å²	66.5	83%	0.832	35%	0.349	S	S	*	.	S	Bend	trans	-66.1	-2.4	177.8	56.4	0	0	0	0	113.5	K70	K70-S72 PolarHBondContact O-N 2.82Å
73	L	52.7	Low	74.6	Confident	78 Å²	78	65.7 Å²	65.7	41%	0.408	34%	0.343	S	S	.	.	S	Bend	trans	-84.1	111.9	167.6	-58.5	166.2	0	0	0	105.4	S71 H75	S71-L73 PolarHBondContact O-N 2.84Å; S71-L73 PolarHBondContact OG-N 3.48Å; S71-L73 PolarHBondContact OG-O 2.85Å; L73-H75 PolarHBondContact O-N 2.86Å
74	E	45.3	Very low	74.4	Confident	187 Å²	187	67.7 Å²	67.7	87%	0.874	36%	0.364	S	S	*	.	S	Bend	trans	-58.3	9.5	-172.3	-63.9	176.2	154.6	0	0	115.7
75	H	50.2	Low	74.4	Confident	154 Å²	154	69 Å²	69	71%	0.713	37%	0.37	S	S	*	.	S	Bend	trans	-123.3	108.9	177.5	-62.8	73.6	0	0	0	108.2	L73 N77	L73-H75 PolarHBondContact O-N 2.86Å; H75-N77 PolarHBondContact O-N 2.83Å
76	F	53.6	Low	74.4	Confident	97 Å²	97	69 Å²	69	43%	0.425	37%	0.37	S	S	.	.			trans	-54.5	132.5	162.4	-156.3	-91.8	0	0	0	107.9	E69 E78 P83	E69-F76 HydrophobicContact CB-CE2 4.12Å; E69-F76 HydrophobicContact CG-CE2 3.53Å; E69-F76 HydrophobicContact CG-CZ 4.21Å; E69-F76 WeakPolarHBondContact O-CD2 3.4Å; E69-F76 WeakPolarHBondContact O-CE2 3.26Å; F76-E78 VanDerWaalsContact C-N 3.3Å; F76-E78 PolarHBondContact O-N 3.16Å; F76-P83 HydrophobicContact CE1-CG 4.09Å; F76-P83 HydrophobicContact CZ-CG 4.03Å
77	N	61.3	Low	74.4	Confident	30 Å²	30	72.3 Å²	72.3	16%	0.16	39%	0.385	C	S	.	.			trans	-70.1	95.3	174.1	-173.4	-23.5	0	0	0	107.9	H75 N79 C80 E155	H75-N77 PolarHBondContact O-N 2.83Å; N77-N79 PolarHBondContact O-N 2.69Å; N77-N79 WeakPolarHBondContact OD1-CB 3.48Å; N77-N79 PolarHBondContact OD1-N 3.03Å; N77-C80 HydrophobicContact CB-CB 4.27Å; N77-C80 WeakPolarHBondContact O-CB 3.32Å; N77-C80 PolarHBondContact O-N 3.09Å; N77-E155 PolarHBondContact ND2-OE2 3.15Å
78	E	65.4	Low	74.7	Confident	184 Å²	184	75.9 Å²	75.9	86%	0.86	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-18.4	-179.9	-65.7	-179.5	170.1	0	0	112.8	F76	F76-E78 VanDerWaalsContact C-N 3.3Å; F76-E78 PolarHBondContact O-N 3.16Å
79	N	71.1	Confident	75.4	Confident	134 Å²	134	74.3 Å²	74.3	72%	0.717	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	2.7	178.5	-57.3	-58	0	0	0	113.5	N77 V81	N77-N79 PolarHBondContact O-N 2.69Å; N77-N79 WeakPolarHBondContact OD1-CB 3.48Å; N77-N79 PolarHBondContact OD1-N 3.03Å; N79-V81 PolarHBondContact O-N 3.07Å
80	C	85.8	Confident	76.6	Confident	14 Å²	14	71.6 Å²	71.6	10%	0.095	38%	0.381	C	S	.	.			trans	-77.6	120	178.1	-172.8	0	0	0	0	111	C67 N77 T82 P83 W152	C67-C80 HydrophobicContact CB-CB 4.06Å; C67-C80 WeakPolarHBondContact CB-SG 3.26Å; C67-C80 WeakPolarHBondContact SG-CB 3.39Å; C67-C80 CovalentContact SG-SG 2.04Å; C67-C80 PolarHBondContact SG-SG 2.88Å; N77-C80 HydrophobicContact CB-CB 4.27Å; N77-C80 WeakPolarHBondContact O-CB 3.32Å; N77-C80 PolarHBondContact O-N 3.09Å; C80-T82 PolarHBondContact SG-OG1 2.84Å; C80-T82 VanDerWaalsContact SG-OG1 3.37Å; C80-P83 WeakPolarHBondContact O-CD 3.49Å; C80-W152 HydrophobicContact CB-CZ3 4.42Å
81	V	91.1	Very high	78.1	Confident	106 Å²	106	68.5 Å²	68.5	64%	0.642	37%	0.369	S	S	*	.			trans	-85.5	-15.6	179.1	-62.2	0	0	0	0	113.6	N79 P83 G84 F85	N79-V81 PolarHBondContact O-N 3.07Å; V81-P83 VanDerWaalsContact C-CD 3.4Å; V81-G84 PolarHBondContact O-N 2.86Å; V81-G84 VanDerWaalsContact O-N 3.09Å; V81-F85 PolarHBondContact O-N 3.11Å
82	T	94.1	Very high	80	Confident	0 Å²	0	74.7 Å²	74.7	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-52.9	-42.5	-177.7	-48.4	0	0	0	0	114	E59 V66 C80 G84 F85 L86	E59-T82 PolarHBondContact OE1-OG1 3.45Å; E59-T82 WeakPolarHBondContact OE2-CA 3.32Å; E59-T82 WeakPolarHBondContact OE2-CG2 3.15Å; V66-T82 HydrophobicContact CB-CG2 4.48Å; V66-T82 HydrophobicContact CG1-CG2 4.16Å; V66-T82 HydrophobicContact CG2-CG2 4.43Å; C80-T82 PolarHBondContact SG-OG1 2.84Å; C80-T82 VanDerWaalsContact SG-OG1 3.37Å; T82-G84 VanDerWaalsContact C-N 3.3Å; T82-G84 PolarHBondContact O-N 3.19Å; T82-F85 WeakPolarHBondContact O-CB 3.25Å; T82-F85 PolarHBondContact O-N 3.09Å; T82-F85 VanDerWaalsContact O-N 3.1Å; T82-L86 HydrophobicContact CG2-CD1 4.13Å; T82-L86 HydrophobicContact CG2-CG 4.18Å; T82-L86 WeakPolarHBondContact O-CG 3.25Å; T82-L86 PolarHBondContact O-N 2.93Å
83	P	93.5	Very high	82.3	Confident	22 Å²	22	71.4 Å²	71.4	14%	0.143	36%	0.362	C	S	.	.	H	α-helix	trans	-56	-42.6	176.5	-20.7	29.7	0	0	0	113.1	F76 C80 V81 L86 E87 Y215 M217	F76-P83 HydrophobicContact CE1-CG 4.09Å; F76-P83 HydrophobicContact CZ-CG 4.03Å; C80-P83 WeakPolarHBondContact O-CD 3.49Å; V81-P83 VanDerWaalsContact C-CD 3.4Å; P83-L86 PolarHBondContact O-N 2.81Å; P83-E87 PolarHBondContact O-N 3.41Å; P83-Y215 HydrophobicContact CB-CE1 3.89Å; P83-Y215 HydrophobicContact CG-CE1 3.87Å; P83-M217 HydrophobicContact CB-CE 4.33Å
84	G	94.8	Very high	84.3	Confident	43 Å²	43	77.2 Å²	77.2	44%	0.443	38%	0.378	S	S	.	.	H	α-helix	trans	-68.6	-34.9	177.3	0	0	0	0	0	112.9	V81 T82 L88	V81-G84 PolarHBondContact O-N 2.86Å; V81-G84 VanDerWaalsContact O-N 3.09Å; T82-G84 VanDerWaalsContact C-N 3.3Å; T82-G84 PolarHBondContact O-N 3.19Å; G84-L88 WeakPolarHBondContact O-CB 3.42Å; G84-L88 PolarHBondContact O-N 2.87Å
85	F	97.2	Very high	86.7	Confident	26 Å²	26	68.8 Å²	68.8	11%	0.114	34%	0.339	C	S	.	.	H	α-helix	trans	-63	-46.2	171.9	176.6	-103.4	0	0	0	111.6	A34 V36 F57 E59 V81 T82 L88 T89	A34-F85 HydrophobicContact CB-CE1 4.08Å; A34-F85 HydrophobicContact CB-CZ 4.03Å; V36-F85 HydrophobicContact CG2-CD1 4.34Å; V36-F85 HydrophobicContact CG2-CE1 3.97Å; F57-F85 HydrophobicContact CB-CE2 3.94Å; F57-F85 HydrophobicContact CB-CZ 4.19Å; E59-F85 HydrophobicContact CB-CD1 3.81Å; E59-F85 HydrophobicContact CB-CD2 3.84Å; E59-F85 HydrophobicContact CB-CE1 3.87Å; E59-F85 HydrophobicContact CB-CE2 3.88Å; E59-F85 HydrophobicContact CB-CG 3.79Å; E59-F85 HydrophobicContact CB-CZ 3.9Å; E59-F85 HydrophobicContact CG-CG 4.41Å; E59-F85 WeakPolarHBondContact OE2-CB 3.45Å; E59-F85 VanDerWaalsContact OE2-CD1 3.26Å; E59-F85 WeakPolarHBondContact OE2-CD1 3.47Å; E59-F85 WeakPolarHBondContact OE2-CG 3.29Å; V81-F85 PolarHBondContact O-N 3.11Å; T82-F85 WeakPolarHBondContact O-CB 3.25Å; T82-F85 PolarHBondContact O-N 3.09Å; T82-F85 VanDerWaalsContact O-N 3.1Å; F85-L88 PolarHBondContact O-N 3.01Å; F85-T89 HydrophobicContact CD2-CG2 4.01Å; F85-T89 HydrophobicContact CE1-CG2 4.35Å; F85-T89 HydrophobicContact CE2-CG2 3.7Å; F85-T89 HydrophobicContact CG-CG2 4.47Å; F85-T89 HydrophobicContact CZ-CG2 3.89Å; F85-T89 WeakPolarHBondContact O-CB 3.49Å; F85-T89 WeakPolarHBondContact O-CG2 3.41Å; F85-T89 PolarHBondContact O-N 2.96Å; F85-T89 PolarHBondContact O-OG1 3.3Å
86	L	97.1	Very high	88.9	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-63.3	-42.6	177.7	-63.7	176.7	0	0	0	111.8	T82 P83 T89 L90 I98 Y215 L218	T82-L86 HydrophobicContact CG2-CD1 4.13Å; T82-L86 HydrophobicContact CG2-CG 4.18Å; T82-L86 WeakPolarHBondContact O-CG 3.25Å; T82-L86 PolarHBondContact O-N 2.93Å; P83-L86 PolarHBondContact O-N 2.81Å; L86-T89 PolarHBondContact O-N 3.21Å; L86-T89 PolarHBondContact O-OG1 3.27Å; L86-L90 HydrophobicContact CB-CD1 4.46Å; L86-L90 HydrophobicContact CD2-CD1 3.79Å; L86-L90 HydrophobicContact CD2-CG 4.49Å; L86-L90 WeakPolarHBondContact O-CB 3.42Å; L86-L90 PolarHBondContact O-N 3.48Å; L86-I98 HydrophobicContact CD2-CD1 3.39Å; L86-Y215 HydrophobicContact CD1-CD1 4Å; L86-Y215 HydrophobicContact CD1-CD2 3.55Å; L86-Y215 HydrophobicContact CD1-CE1 3.88Å; L86-Y215 HydrophobicContact CD1-CE2 3.43Å; L86-Y215 VanDerWaalsContact CD1-CE2 3.43Å; L86-Y215 HydrophobicContact CD1-CG 3.82Å; L86-L218 HydrophobicContact CD1-CD1 4.38Å
87	E	96.2	Very high	91	Very high	70 Å²	70	61.4 Å²	61.4	33%	0.327	31%	0.309	S	S	.	.	I	π-helix	trans	-60.9	-49.9	176.1	-168.7	-162.6	149.1	0	0	111.4	P83 T89 L91 R92 M217	P83-E87 PolarHBondContact O-N 3.41Å; E87-T89 PolarHBondContact O-N 2.93Å; E87-L91 HydrophobicContact CG-CD1 4.18Å; E87-L91 WeakPolarHBondContact O-CB 3.26Å; E87-L91 PolarHBondContact O-N 3.4Å; E87-R92 PolarHBondContact O-N 2.89Å; E87-R92 IonicContact OE1-CZ 3.78Å; E87-R92 VanDerWaalsContact OE1-CZ 3.32Å; E87-R92 IonicContact OE1-NE 2.74Å; E87-R92 PolarHBondContact OE1-NE 2.88Å; E87-R92 IonicContact OE1-NH2 3.48Å; E87-R92 PolarHBondContact OE1-NH2 3.23Å; E87-M217 HydrophobicContact CB-SD 3.93Å; E87-M217 HydrophobicContact CG-SD 4.49Å
88	L	97.2	Very high	92.8	Very high	81 Å²	81	60 Å²	60	42%	0.424	30%	0.302	S	S	.	.	I	π-helix	trans	-60.3	-46.1	-179.8	178.4	61.8	0	0	0	111.5	F57 G84 F85 R92 C93	F57-L88 HydrophobicContact CE1-CD2 4.3Å; G84-L88 WeakPolarHBondContact O-CB 3.42Å; G84-L88 PolarHBondContact O-N 2.87Å; F85-L88 PolarHBondContact O-N 3.01Å; L88-R92 WeakPolarHBondContact O-CB 3.24Å; L88-C93 WeakPolarHBondContact O-CB 3.33Å; L88-C93 PolarHBondContact O-N 3.27Å; L88-C93 PolarHBondContact O-SG 3.38Å; L88-C93 VanDerWaalsContact O-SG 3.4Å
89	T	97.6	Very high	94.4	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.266	C	S	.	.	I	π-helix	trans	-81.7	-52.1	-171.4	53.9	0	0	0	0	112.9	A34 F57 F85 L86 E87 C93 R94 I95	A34-T89 HydrophobicContact CB-CG2 4.09Å; F57-T89 HydrophobicContact CB-CG2 3.47Å; F57-T89 VanDerWaalsContact CB-CG2 3.47Å; F57-T89 HydrophobicContact CD1-CG2 3.89Å; F57-T89 HydrophobicContact CG-CG2 3.72Å; F85-T89 HydrophobicContact CD2-CG2 4.01Å; F85-T89 HydrophobicContact CE1-CG2 4.35Å; F85-T89 HydrophobicContact CE2-CG2 3.7Å; F85-T89 HydrophobicContact CG-CG2 4.47Å; F85-T89 HydrophobicContact CZ-CG2 3.89Å; F85-T89 WeakPolarHBondContact O-CB 3.49Å; F85-T89 WeakPolarHBondContact O-CG2 3.41Å; F85-T89 PolarHBondContact O-N 2.96Å; F85-T89 PolarHBondContact O-OG1 3.3Å; L86-T89 PolarHBondContact O-N 3.21Å; L86-T89 PolarHBondContact O-OG1 3.27Å; E87-T89 PolarHBondContact O-N 2.93Å; T89-C93 CarbonylContact O-C 3.55Å; T89-C93 WeakPolarHBondContact O-CB 3.37Å; T89-R94 PolarHBondContact O-N 3.5Å; T89-I95 HydrophobicContact CG2-CD1 4.24Å; T89-I95 WeakPolarHBondContact O-CB 3.46Å; T89-I95 WeakPolarHBondContact O-CG1 3.48Å; T89-I95 PolarHBondContact O-N 3.25Å
90	L	97.3	Very high	95.7	Very high	4 Å²	4	45.8 Å²	45.8	2%	0.021	23%	0.232	C	C	.	.	I	π-helix	trans	-88.5	-26.2	-169.2	-50.8	-176.4	0	0	0	112.6	A34 L86 I95 I98 L218 L227	A34-L90 HydrophobicContact CB-CD2 4.04Å; L86-L90 HydrophobicContact CB-CD1 4.46Å; L86-L90 HydrophobicContact CD2-CD1 3.79Å; L86-L90 HydrophobicContact CD2-CG 4.49Å; L86-L90 WeakPolarHBondContact O-CB 3.42Å; L86-L90 PolarHBondContact O-N 3.48Å; L90-I95 HydrophobicContact CD2-CB 4.41Å; L90-I95 WeakPolarHBondContact CD2-O 3.47Å; L90-I98 HydrophobicContact CD1-CD1 4.2Å; L90-I98 HydrophobicContact CD2-CB 4.23Å; L90-L218 HydrophobicContact CB-CD2 3.81Å; L90-L218 HydrophobicContact CD1-CD1 3.72Å; L90-L218 HydrophobicContact CD1-CD2 3.89Å; L90-L218 HydrophobicContact CD1-CG 4.48Å; L90-L218 HydrophobicContact CG-CD2 4.46Å; L90-L227 HydrophobicContact CD1-CD1 3.87Å; L90-L227 HydrophobicContact CD1-CD2 3.82Å; L90-L227 HydrophobicContact CD2-CD1 3.85Å; L90-L227 HydrophobicContact CG-CD1 4.32Å
91	L	95.8	Very high	96.3	Very high	45 Å²	45	45.1 Å²	45.1	24%	0.236	23%	0.227	C	C	.	.	I	π-helix	trans	-102.5	-49.3	179.9	-55.7	-178.8	0	0	0	112.6	E87 R94 M217 L218 Q221	E87-L91 HydrophobicContact CG-CD1 4.18Å; E87-L91 WeakPolarHBondContact O-CB 3.26Å; E87-L91 PolarHBondContact O-N 3.4Å; L91-R94 WeakPolarHBondContact O-CG 3.25Å; L91-M217 HydrophobicContact CD1-CB 3.9Å; L91-M217 HydrophobicContact CD1-CG 3.98Å; L91-M217 HydrophobicContact CD1-SD 4.04Å; L91-L218 HydrophobicContact CD2-CD2 3.97Å; L91-L218 HydrophobicContact CG-CD2 4.1Å; L91-Q221 VanDerWaalsContact CD2-CD 3.41Å; L91-Q221 HydrophobicContact CD2-CG 4.34Å; L91-Q221 VanDerWaalsContact CD2-NE2 3.3Å
92	R	95.5	Very high	96.7	Very high	175 Å²	175	40.1 Å²	40.1	66%	0.66	20%	0.196	S	C	*	.	I	π-helix	trans	-81.5	-48.4	-175.7	-61.3	-177.8	176.6	-100.4	-1.6	112.4	E87 L88 R94	E87-R92 PolarHBondContact O-N 2.89Å; E87-R92 IonicContact OE1-CZ 3.78Å; E87-R92 VanDerWaalsContact OE1-CZ 3.32Å; E87-R92 IonicContact OE1-NE 2.74Å; E87-R92 PolarHBondContact OE1-NE 2.88Å; E87-R92 IonicContact OE1-NH2 3.48Å; E87-R92 PolarHBondContact OE1-NH2 3.23Å; L88-R92 WeakPolarHBondContact O-CB 3.24Å; R92-R94 VanDerWaalsContact C-N 3.31Å
93	C	94.5	Very high	96.9	Very high	49 Å²	49	40.1 Å²	40.1	33%	0.331	20%	0.196	S	C	.	.	S	Bend	trans	-80.8	-11.7	174.3	-66.1	0	0	0	0	113.3	I31 L88 T89 I95	I31-C93 HydrophobicContact CD1-CB 4.33Å; L88-C93 WeakPolarHBondContact O-CB 3.33Å; L88-C93 PolarHBondContact O-N 3.27Å; L88-C93 PolarHBondContact O-SG 3.38Å; L88-C93 VanDerWaalsContact O-SG 3.4Å; T89-C93 CarbonylContact O-C 3.55Å; T89-C93 WeakPolarHBondContact O-CB 3.37Å; C93-I95 HydrophobicContact CB-CD1 4.02Å; C93-I95 HydrophobicContact CB-CG1 3.93Å; C93-I95 PolarHBondContact O-N 3.05Å
94	R	95.3	Very high	97.1	Very high	201 Å²	201	39.1 Å²	39.1	76%	0.758	19%	0.19	S	C	*	.			trans	52.7	41.6	-179.5	-57.6	-179.2	-177.1	167.2	0.4	112.9	T89 L91 R92 N96	T89-R94 PolarHBondContact O-N 3.5Å; L91-R94 WeakPolarHBondContact O-CG 3.25Å; R92-R94 VanDerWaalsContact C-N 3.31Å; R94-N96 PolarHBondContact O-OD1 3.16Å
95	I	96.8	Very high	97.2	Very high	9 Å²	9	40 Å²	40	5%	0.046	19%	0.185	C	C	.	.			trans	-73.6	127.3	173.7	-59	166.4	0	0	0	107.9	I31 F57 T89 L90 C93 D97	I31-I95 HydrophobicContact CB-CD1 4.41Å; I31-I95 HydrophobicContact CB-CG1 4.29Å; I31-I95 HydrophobicContact CG2-CD1 3.4Å; I31-I95 HydrophobicContact CG2-CG1 3.7Å; F57-I95 HydrophobicContact CB-CD1 4.49Å; F57-I95 HydrophobicContact CD2-CD1 3.7Å; F57-I95 HydrophobicContact CE2-CD1 4.3Å; F57-I95 HydrophobicContact CG-CD1 4.31Å; T89-I95 HydrophobicContact CG2-CD1 4.24Å; T89-I95 WeakPolarHBondContact O-CB 3.46Å; T89-I95 WeakPolarHBondContact O-CG1 3.48Å; T89-I95 PolarHBondContact O-N 3.25Å; L90-I95 HydrophobicContact CD2-CB 4.41Å; L90-I95 WeakPolarHBondContact CD2-O 3.47Å; C93-I95 HydrophobicContact CB-CD1 4.02Å; C93-I95 HydrophobicContact CB-CG1 3.93Å; C93-I95 PolarHBondContact O-N 3.05Å; I95-D97 WeakPolarHBondContact CG2-O 3.31Å
96	N	96.7	Very high	97.2	Very high	68 Å²	68	38.9 Å²	38.9	36%	0.364	18%	0.18	S	C	.	.			trans	-87.5	-15	-175.9	-68.1	-17.1	0	0	0	113.1	R94 V226 L227 R228	R94-N96 PolarHBondContact O-OD1 3.16Å; N96-V226 WeakPolarHBondContact CB-O 3.4Å; N96-V226 WeakPolarHBondContact OD1-CG1 3.41Å; N96-L227 CarbonylContact O-C 3.58Å; N96-L227 WeakPolarHBondContact O-CA 3.5Å; N96-R228 PolarHBondContact O-N 3.44Å
97	D	97.7	Very high	97.2	Very high	29 Å²	29	48 Å²	48	16%	0.155	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	122	-174.6	-64.8	-79.6	0	0	0	110.7	A33 A34 I95 R228 H230	A33-D97 CarbonylContact C-O 3.56Å; A33-D97 VanDerWaalsContact CA-O 3.31Å; A33-D97 WeakPolarHBondContact CA-O 3.18Å; A33-D97 HydrophobicContact CB-CB 4.15Å; A34-D97 PolarHBondContact N-O 2.88Å; I95-D97 WeakPolarHBondContact CG2-O 3.31Å; D97-R228 IonicContact OD1-CZ 3.41Å; D97-R228 IonicContact OD1-NE 2.75Å; D97-R228 PolarHBondContact OD1-NE 2.89Å; D97-R228 IonicContact OD1-NH2 3.25Å; D97-R228 PolarHBondContact OD1-NH2 3.29Å; D97-R228 IonicContact OD2-CZ 3.62Å; D97-R228 IonicContact OD2-NE 3.7Å; D97-R228 IonicContact OD2-NH2 2.71Å; D97-R228 PolarHBondContact OD2-NH2 3.47Å; D97-H230 IonicContact OD1-CD2 3.7Å; D97-H230 IonicContact OD1-CE1 3.74Å; D97-H230 IonicContact OD1-NE2 2.76Å; D97-H230 PolarHBondContact OD1-NE2 2.94Å
98	I	98.4	Very high	97.3	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	131	168.6	-176.1	167.9	0	0	0	110.5	A34 V36 L86 L90 I100 V212 L227 R228 V229 H230	A34-I98 HydrophobicContact CB-CB 4.43Å; A34-I98 HydrophobicContact CB-CG1 4.32Å; A34-I98 CarbonylContact O-C 3.58Å; A34-I98 VanDerWaalsContact O-CA 3.28Å; A34-I98 WeakPolarHBondContact O-CA 3.3Å; V36-I98 HydrophobicContact CG2-CD1 4.39Å; L86-I98 HydrophobicContact CD2-CD1 3.39Å; L90-I98 HydrophobicContact CD1-CD1 4.2Å; L90-I98 HydrophobicContact CD2-CB 4.23Å; I98-I100 HydrophobicContact CD1-CD1 4.44Å; I98-I100 HydrophobicContact CG1-CD1 4.36Å; I98-V212 HydrophobicContact CD1-CG2 4.22Å; I98-V212 HydrophobicContact CG2-CG1 4.28Å; I98-L227 HydrophobicContact CG2-CD1 3.99Å; I98-R228 WeakPolarHBondContact CG2-O 3.28Å; I98-R228 PolarHBondContact N-O 3.29Å; I98-V229 HydrophobicContact CG2-CB 4.14Å; I98-V229 HydrophobicContact CG2-CG1 4.16Å; I98-V229 HydrophobicContact CG2-CG2 3.77Å; I98-H230 PolarHBondContact O-N 3.33Å
99	I	98.6	Very high	97.3	Very high	20 Å²	20	41.3 Å²	41.3	10%	0.103	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	124.2	179.8	-57.4	170.5	0	0	0	109.2	A33 A34 V35 V36 L49 H230 M232	A33-I99 HydrophobicContact CB-CD1 3.92Å; A33-I99 HydrophobicContact CB-CG1 4.29Å; A34-I99 PolarHBondContact O-N 3.4Å; V35-I99 CarbonylContact C-O 3.52Å; V35-I99 WeakPolarHBondContact CA-O 3.28Å; V35-I99 HydrophobicContact CG1-CB 4.29Å; V35-I99 HydrophobicContact CG1-CG2 4.46Å; V35-I99 HydrophobicContact CG2-CB 4.3Å; V35-I99 HydrophobicContact CG2-CD1 4.38Å; V36-I99 PolarHBondContact N-O 3.36Å; L49-I99 HydrophobicContact CD1-CD1 4.1Å; I99-H230 WeakPolarHBondContact CA-O 3.41Å; I99-H230 HydrophobicContact CG1-CB 4.12Å; I99-M232 HydrophobicContact CG2-CB 3.54Å; I99-M232 HydrophobicContact CG2-CE 4.28Å; I99-M232 HydrophobicContact CG2-SD 4.35Å
100	I	98.7	Very high	97.2	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	112.8	167.1	-52.7	-49.8	0	0	0	107.9	V36 V66 I98 V205 Q208 M209 V212 H230 M232	V36-I100 HydrophobicContact CB-CD1 3.95Å; V36-I100 HydrophobicContact CG2-CD1 4.12Å; V66-I100 HydrophobicContact CG2-CD1 3.61Å; I98-I100 HydrophobicContact CD1-CD1 4.44Å; I98-I100 HydrophobicContact CG1-CD1 4.36Å; I100-V205 HydrophobicContact CB-CG1 4.18Å; I100-V205 HydrophobicContact CG2-CB 4.47Å; I100-V205 HydrophobicContact CG2-CG1 4.05Å; I100-Q208 HydrophobicContact CG2-CB 3.74Å; I100-Q208 HydrophobicContact CG2-CG 4.45Å; I100-M209 HydrophobicContact CB-CG 4.22Å; I100-M209 HydrophobicContact CG1-CG 3.92Å; I100-V212 HydrophobicContact CD1-CG2 4.14Å; I100-H230 PolarHBondContact N-O 2.9Å; I100-M232 PolarHBondContact O-N 2.86Å; I100-M232 VanDerWaalsContact O-O 3.08Å
101	C	98.6	Very high	97.2	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	101.1	-174.7	-178	0	0	0	0	111.7	V35 V36 A37 T45 N64 M232	V35-C101 HydrophobicContact CG1-CB 4.2Å; V36-C101 PolarHBondContact O-N 3.09Å; A37-C101 HydrophobicContact CB-CB 4.03Å; T45-C101 HydrophobicContact CG2-CB 4.28Å; N64-C101 WeakPolarHBondContact CB-O 3.42Å; N64-C101 VanDerWaalsContact CG-O 3.25Å; N64-C101 PolarHBondContact OD1-O 3.25Å; C101-M232 CarbonylContact C-O 3.57Å; C101-M232 WeakPolarHBondContact CA-O 3.44Å; C101-M232 HydrophobicContact CB-CE 3.79Å; C101-M232 WeakPolarHBondContact SG-CE 3.35Å
102	G	98.6	Very high	97.1	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	177.2	166.2	0	0	0	0	0	112.7	V205 M232 W233 F234	G102-V205 VanDerWaalsContact CA-CG2 3.49Å; G102-M232 PolarHBondContact N-O 3.33Å; G102-W233 WeakPolarHBondContact O-CA 3.46Å; G102-F234 PolarHBondContact O-N 2.71Å
103	H	98.6	Very high	97	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	159.5	176.4	67.2	96.2	0	0	0	112.9	C38 D40 V43 C106 S201 F234 F236	C38-H103 VanDerWaalsContact CB-CD2 3.45Å; C38-H103 WeakPolarHBondContact CB-CD2 3.33Å; C38-H103 VanDerWaalsContact CB-NE2 3.3Å; C38-H103 WeakPolarHBondContact CB-NE2 3.45Å; C38-H103 PolarHBondContact SG-NE2 2.73Å; D40-H103 IonicContact OD2-CE1 2.94Å; D40-H103 PolarHBondContact OD2-CE1 3.18Å; V43-H103 HydrophobicContact CG2-CB 3.82Å; H103-C106 VanDerWaalsContact CE1-CA 3.42Å; H103-C106 WeakPolarHBondContact CE1-CA 3.33Å; H103-C106 PolarHBondContact NE2-SG 2.98Å; H103-C106 VanDerWaalsContact NE2-SG 3.38Å; H103-S201 WeakPolarHBondContact O-CB 3.28Å; H103-S201 PolarHBondContact O-OG 3.17Å; H103-F234 CarbonylContact C-O 3.58Å; H103-F234 WeakPolarHBondContact CA-O 3.3Å; H103-F234 HydrophobicContact CB-CB 4.28Å; H103-F234 WeakPolarHBondContact CB-O 3.47Å; H103-F236 HydrophobicContact CB-CE1 4.15Å; H103-F236 HydrophobicContact CB-CZ 3.98Å; H103-F236 AromaticContact CE1-CE2 3.96Å; H103-F236 AromaticContact CE1-CZ 3.78Å; H103-F236 AromaticContact CG-CZ 3.74Å; H103-F236 AromaticContact ND1-CE2 3.29Å; H103-F236 VanDerWaalsContact ND1-CE2 3.29Å; H103-F236 WeakPolarHBondContact ND1-CE2 3.09Å; H103-F236 AromaticContact ND1-CZ 3.1Å; H103-F236 WeakPolarHBondContact ND1-CZ 3.33Å
104	S	97.7	Very high	96.9	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.007	16%	0.157	C	C	.	.	S	Bend	trans	-65.4	157.8	171.3	60.6	0	0	0	0	112.2	C106 D198 W233 F234 F236	S104-C106 VanDerWaalsContact C-N 3.26Å; S104-C106 PolarHBondContact O-N 3Å; S104-D198 WeakPolarHBondContact CA-OD1 3.39Å; S104-D198 WeakPolarHBondContact CB-OD1 3.28Å; S104-W233 VanDerWaalsContact CA-CZ2 3.41Å; S104-F234 PolarHBondContact N-O 3.09Å; S104-F236 WeakPolarHBondContact O-CD2 3.14Å; S104-F236 WeakPolarHBondContact O-CE2 3.08Å; S104-F236 WeakPolarHBondContact OG-CB 3.42Å; S104-F236 WeakPolarHBondContact OG-CD2 3.03Å; S104-F236 VanDerWaalsContact OG-CG 3.3Å; S104-F236 WeakPolarHBondContact OG-CG 3.47Å; S104-F236 PolarHBondContact OG-N 3.43Å
105	D	96.6	Very high	96.6	Very high	63 Å²	63	26.3 Å²	26.3	34%	0.337	13%	0.127	S	C	.	.	S	Bend	trans	52.4	44	176	-175.8	41.8	0	0	0	112.5	R42 R107 D198 F236	R42-D105 IonicContact CZ-OD2 3.79Å; R42-D105 IonicContact NH1-OD2 3.41Å; R42-D105 PolarHBondContact NH1-OD2 3.33Å; R42-D105 PolarHBondContact NH2-O 3.26Å; R42-D105 VanDerWaalsContact NH2-O 3.11Å; R42-D105 IonicContact NH2-OD2 2.74Å; R42-D105 PolarHBondContact NH2-OD2 2.87Å; D105-R107 PolarHBondContact O-N 3.36Å; D105-D198 PolarHBondContact N-OD1 2.68Å; D105-F236 HydrophobicContact CB-CD2 4.1Å; D105-F236 HydrophobicContact CB-CE2 4.35Å
106	C	97.8	Very high	96.1	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.007	13%	0.131	C	C	.	.			trans	-79.7	114	-179.1	-172.6	0	0	0	0	111.5	H103 S104 A108 M109 N110	H103-C106 VanDerWaalsContact CE1-CA 3.42Å; H103-C106 WeakPolarHBondContact CE1-CA 3.33Å; H103-C106 PolarHBondContact NE2-SG 2.98Å; H103-C106 VanDerWaalsContact NE2-SG 3.38Å; S104-C106 VanDerWaalsContact C-N 3.26Å; S104-C106 PolarHBondContact O-N 3Å; C106-A108 VanDerWaalsContact C-N 3.25Å; C106-A108 PolarHBondContact O-N 3.17Å; C106-M109 HydrophobicContact CB-CB 3.97Å; C106-M109 HydrophobicContact CB-CG 3.7Å; C106-M109 PolarHBondContact O-N 3.24Å; C106-N110 PolarHBondContact O-N 3.29Å
107	R	97.3	Very high	95.5	Very high	192 Å²	192	27.1 Å²	27.1	73%	0.725	13%	0.131	S	C	*	.	H	α-helix	trans	-59.9	-34.5	178.2	-63.3	-178.5	-177.8	-176.3	-0.4	113	D105 N110 L111	D105-R107 PolarHBondContact O-N 3.36Å; R107-N110 PolarHBondContact O-N 3.31Å; R107-L111 PolarHBondContact O-N 3.02Å
108	A	97.3	Very high	94.2	Very high	10 Å²	10	26.4 Å²	26.4	8%	0.083	13%	0.128	C	C	.	.	H	α-helix	trans	-65.6	-39.1	175	0	0	0	0	0	111.9	G63 C106 L111 L112 I153	G63-A108 VanDerWaalsContact CA-CB 3.46Å; C106-A108 VanDerWaalsContact C-N 3.25Å; C106-A108 PolarHBondContact O-N 3.17Å; A108-L111 PolarHBondContact O-N 3.48Å; A108-L112 WeakPolarHBondContact O-CB 3.45Å; A108-L112 PolarHBondContact O-N 3.32Å; A108-I153 HydrophobicContact CB-CD1 3.59Å
109	M	97.7	Very high	92.6	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-70.9	-34.8	175.5	-62.6	-62.3	100.6	0	0	112.2	F65 C106 L112 N113 I197 L200 N204	F65-M109 HydrophobicContact CE1-CE 4.04Å; F65-M109 HydrophobicContact CE2-CE 4.11Å; F65-M109 HydrophobicContact CZ-CE 3.41Å; F65-M109 VanDerWaalsContact CZ-CE 3.41Å; C106-M109 HydrophobicContact CB-CB 3.97Å; C106-M109 HydrophobicContact CB-CG 3.7Å; C106-M109 PolarHBondContact O-N 3.24Å; M109-L112 HydrophobicContact CE-CD2 4.09Å; M109-L112 PolarHBondContact O-N 2.97Å; M109-L112 HydrophobicContact SD-CD2 4.16Å; M109-N113 WeakPolarHBondContact O-CB 3.45Å; M109-N113 PolarHBondContact O-N 3.29Å; M109-I197 HydrophobicContact CB-CG2 4.09Å; M109-L200 HydrophobicContact CB-CD2 4.43Å; M109-L200 HydrophobicContact SD-CG 4.23Å; M109-N204 HydrophobicContact CE-CB 4.28Å; M109-N204 WeakPolarHBondContact CE-ND2 3.43Å; M109-N204 HydrophobicContact SD-CB 3.56Å; M109-N204 VanDerWaalsContact SD-CB 3.56Å
110	N	96.6	Very high	90.6	Very high	74 Å²	74	39.9 Å²	39.9	40%	0.396	19%	0.188	S	C	.	.	H	α-helix	trans	-60.8	-48.2	171.6	-167.5	-74.9	0	0	0	111.2	C106 R107 L112 N113 N114	C106-N110 PolarHBondContact O-N 3.29Å; R107-N110 PolarHBondContact O-N 3.31Å; N110-L112 PolarHBondContact O-N 3.13Å; N110-N113 PolarHBondContact O-N 2.89Å; N110-N114 VanDerWaalsContact O-CG 3.23Å; N110-N114 PolarHBondContact O-N 2.98Å; N110-N114 PolarHBondContact O-ND2 3.15Å; N110-N114 PolarHBondContact OD1-ND2 3.47Å
111	L	95.6	Very high	88.3	Confident	15 Å²	15	44.8 Å²	44.8	8%	0.079	21%	0.211	C	C	.	.	H	α-helix	trans	-61.1	-43.9	175.5	-179.5	55.5	0	0	0	111.8	R107 A108 N113 N114 L115 Y126 L149 E150 I153	R107-L111 PolarHBondContact O-N 3.02Å; A108-L111 PolarHBondContact O-N 3.48Å; L111-N113 VanDerWaalsContact C-N 3.35Å; L111-N113 PolarHBondContact O-N 3.24Å; L111-N114 PolarHBondContact O-N 3.24Å; L111-L115 HydrophobicContact CD1-CD1 4.22Å; L111-L115 HydrophobicContact CD1-CG 4.05Å; L111-L115 HydrophobicContact CG-CD1 4.01Å; L111-L115 HydrophobicContact CG-CG 4.33Å; L111-L115 WeakPolarHBondContact O-CB 3.31Å; L111-L115 VanDerWaalsContact O-CG 3.3Å; L111-L115 WeakPolarHBondContact O-CG 3.42Å; L111-L115 PolarHBondContact O-N 2.88Å; L111-Y126 HydrophobicContact CD1-CE1 4.11Å; L111-Y126 WeakPolarHBondContact CD1-OH 3.46Å; L111-L149 HydrophobicContact CD2-CD2 3.85Å; L111-L149 HydrophobicContact CD2-CG 3.82Å; L111-E150 HydrophobicContact CD1-CG 4.29Å; L111-E150 HydrophobicContact CD2-CG 4.19Å; L111-I153 HydrophobicContact CD2-CG1 4.02Å
112	L	94.5	Very high	85.8	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-56.5	-48.5	175.8	-178.4	60.5	0	0	0	111.3	A108 M109 N110 N114 L115 G116 I153 L161 L200	A108-L112 WeakPolarHBondContact O-CB 3.45Å; A108-L112 PolarHBondContact O-N 3.32Å; M109-L112 HydrophobicContact CE-CD2 4.09Å; M109-L112 PolarHBondContact O-N 2.97Å; M109-L112 HydrophobicContact SD-CD2 4.16Å; N110-L112 PolarHBondContact O-N 3.13Å; L112-N114 PolarHBondContact O-N 3.13Å; L112-L115 PolarHBondContact O-N 3.44Å; L112-G116 PolarHBondContact O-N 3.3Å; L112-I153 HydrophobicContact CB-CG2 3.62Å; L112-I153 HydrophobicContact CD1-CG2 3.9Å; L112-I153 HydrophobicContact CG-CG2 4.32Å; L112-L161 HydrophobicContact CD1-CD1 3.45Å; L112-L161 VanDerWaalsContact CD1-CD1 3.45Å; L112-L161 HydrophobicContact CD1-CG 3.79Å; L112-L161 HydrophobicContact CD2-CD2 4.45Å; L112-L161 HydrophobicContact CD2-CG 4.08Å; L112-L161 HydrophobicContact CG-CD1 3.73Å; L112-L161 HydrophobicContact CG-CD2 4.03Å; L112-L161 HydrophobicContact CG-CG 3.67Å; L112-L161 WeakPolarHBondContact O-CD1 3.43Å; L112-L200 HydrophobicContact CD2-CD2 4.38Å
113	N	93.8	Very high	83.3	Confident	16 Å²	16	59.8 Å²	59.8	9%	0.086	29%	0.29	C	S	.	.	H	α-helix	trans	-59.4	-44.9	177.6	-168	30.6	0	0	0	111.9	M109 N110 L111 G116 K117 I197 L200	M109-N113 WeakPolarHBondContact O-CB 3.45Å; M109-N113 PolarHBondContact O-N 3.29Å; N110-N113 PolarHBondContact O-N 2.89Å; L111-N113 VanDerWaalsContact C-N 3.35Å; L111-N113 PolarHBondContact O-N 3.24Å; N113-G116 PolarHBondContact O-N 3.17Å; N113-K117 WeakPolarHBondContact O-CG 3.45Å; N113-K117 PolarHBondContact O-N 3.47Å; N113-I197 HydrophobicContact CB-CD1 3.6Å; N113-I197 VanDerWaalsContact ND2-CD1 3.32Å; N113-I197 WeakPolarHBondContact ND2-CD1 3.36Å; N113-L200 HydrophobicContact CB-CD2 3.98Å
114	N	91.7	Very high	80.8	Confident	30 Å²	30	61.6 Å²	61.6	16%	0.16	30%	0.298	C	S	.	.	H	α-helix	trans	-63.5	-44.2	178.6	-64	-22.2	0	0	0	111.7	N110 L111 L112 G116 K117 C118	N110-N114 VanDerWaalsContact O-CG 3.23Å; N110-N114 PolarHBondContact O-N 2.98Å; N110-N114 PolarHBondContact O-ND2 3.15Å; N110-N114 PolarHBondContact OD1-ND2 3.47Å; L111-N114 PolarHBondContact O-N 3.24Å; L112-N114 PolarHBondContact O-N 3.13Å; N114-G116 VanDerWaalsContact C-N 3.29Å; N114-G116 PolarHBondContact O-N 3.05Å; N114-K117 PolarHBondContact O-N 3.14Å; N114-C118 PolarHBondContact O-N 3.46Å; N114-C118 PolarHBondContact O-SG 3.32Å
115	L	88.9	Confident	78	Confident	25 Å²	25	65.2 Å²	65.2	13%	0.131	32%	0.323	C	S	.	.	H	α-helix	trans	-60.5	-38.4	175	-70	171.9	0	0	0	111.9	L111 L112 K119 E150 I153 W154	L111-L115 HydrophobicContact CD1-CD1 4.22Å; L111-L115 HydrophobicContact CD1-CG 4.05Å; L111-L115 HydrophobicContact CG-CD1 4.01Å; L111-L115 HydrophobicContact CG-CG 4.33Å; L111-L115 WeakPolarHBondContact O-CB 3.31Å; L111-L115 VanDerWaalsContact O-CG 3.3Å; L111-L115 WeakPolarHBondContact O-CG 3.42Å; L111-L115 PolarHBondContact O-N 2.88Å; L112-L115 PolarHBondContact O-N 3.44Å; L115-K119 PolarHBondContact O-N 3.19Å; L115-E150 HydrophobicContact CD1-CB 4.33Å; L115-E150 HydrophobicContact CD1-CG 4.4Å; L115-E150 HydrophobicContact CD2-CB 4.48Å; L115-E150 HydrophobicContact CD2-CG 4.21Å; L115-I153 HydrophobicContact CD1-CB 4.4Å; L115-I153 HydrophobicContact CD1-CG2 4.16Å; L115-W154 HydrophobicContact CB-CE3 4.04Å; L115-W154 HydrophobicContact CB-CZ3 4.4Å; L115-W154 HydrophobicContact CD1-CB 4.5Å
116	G	87.3	Confident	75.5	Confident	12 Å²	12	65.4 Å²	65.4	12%	0.124	32%	0.32	C	S	.	.	H	α-helix	trans	-61.6	-47.1	174.1	0	0	0	0	0	112.8	L112 N113 N114 K119 H120	L112-G116 PolarHBondContact O-N 3.3Å; N113-G116 PolarHBondContact O-N 3.17Å; N114-G116 VanDerWaalsContact C-N 3.29Å; N114-G116 PolarHBondContact O-N 3.05Å; G116-K119 PolarHBondContact O-N 2.94Å; G116-H120 PolarHBondContact O-CD2 3.31Å; G116-H120 VanDerWaalsContact O-CD2 3.32Å
117	K	84	Confident	72.7	Confident	81 Å²	81	67.3 Å²	67.3	35%	0.352	33%	0.33	S	S	.	.	H	α-helix	trans	-63.2	-42.2	177.7	-69.5	178	-178.7	-177.5	0	112.4	N113 N114 K119 H120 E121	N113-K117 WeakPolarHBondContact O-CG 3.45Å; N113-K117 PolarHBondContact O-N 3.47Å; N114-K117 PolarHBondContact O-N 3.14Å; K117-K119 PolarHBondContact O-N 3.32Å; K117-H120 PolarHBondContact O-N 3.08Å; K117-E121 PolarHBondContact O-N 3.46Å
118	C	70.7	Confident	69.9	Low	15 Å²	15	62 Å²	62	10%	0.101	33%	0.327	C	S	.	.	H	α-helix	trans	-60.5	-28	176.8	-68.6	0	0	0	0	113.9	N114 H120 E121 L127	N114-C118 PolarHBondContact O-N 3.46Å; N114-C118 PolarHBondContact O-SG 3.32Å; C118-H120 VanDerWaalsContact C-N 3.31Å; C118-E121 CarbonylContact O-C 3.56Å; C118-E121 VanDerWaalsContact O-O 3.12Å; C118-L127 HydrophobicContact CB-CD1 3.98Å; C118-L127 HydrophobicContact CB-CD2 3.91Å; C118-L127 HydrophobicContact CB-CG 4.01Å
119	K	64.2	Low	67.4	Low	131 Å²	131	69.2 Å²	69.2	57%	0.57	36%	0.358	S	S	*	.	H	α-helix	trans	-71	-27.5	173.7	-74.8	-155.6	177.3	-165.6	0	113.2	L115 G116 K117 W154	L115-K119 PolarHBondContact O-N 3.19Å; G116-K119 PolarHBondContact O-N 2.94Å; K117-K119 PolarHBondContact O-N 3.32Å; K119-W154 HydrophobicContact CD-CH2 3.43Å; K119-W154 VanDerWaalsContact CD-CH2 3.43Å; K119-W154 HydrophobicContact CD-CZ2 3.76Å; K119-W154 HydrophobicContact CD-CZ3 4.01Å; K119-W154 HydrophobicContact CG-CH2 4.31Å; K119-W154 HydrophobicContact CG-CZ3 4.47Å
120	H	55.5	Low	64.8	Low	171 Å²	171	73.8 Å²	73.8	79%	0.792	38%	0.38	S	S	*	.	H	α-helix	trans	-91.5	-27.8	178.5	-68.8	-67.3	0	0	0	112.5	G116 K117 C118	G116-H120 PolarHBondContact O-CD2 3.31Å; G116-H120 VanDerWaalsContact O-CD2 3.32Å; K117-H120 PolarHBondContact O-N 3.08Å; C118-H120 VanDerWaalsContact C-N 3.31Å
121	E	50.3	Low	61.9	Low	103 Å²	103	79.5 Å²	79.5	48%	0.481	40%	0.404	S	S	.	.			trans	-117.6	103.1	178.7	-69.2	-178.8	-169.2	0	0	111	K117 C118 S123 H124	K117-E121 PolarHBondContact O-N 3.46Å; C118-E121 CarbonylContact O-C 3.56Å; C118-E121 VanDerWaalsContact O-O 3.12Å; E121-S123 PolarHBondContact O-N 2.9Å; E121-H124 HydrophobicContact CB-CB 4.28Å; E121-H124 PolarHBondContact O-N 3.2Å; E121-H124 IonicContact OE2-CD2 3.28Å; E121-H124 PolarHBondContact OE2-CD2 2.88Å; E121-H124 VanDerWaalsContact OE2-CD2 3.28Å
122	K	46.3	Very low	59.5	Low	208 Å²	208	82.6 Å²	82.6	90%	0.904	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-7.5	172.9	-68.6	-176.7	178.3	179.8	0	113.7
123	S	47.9	Very low	56.8	Low	107 Å²	107	90.4 Å²	90.4	75%	0.748	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.8	11.2	-172.3	52.8	0	0	0	0	114.6	E121	E121-S123 PolarHBondContact O-N 2.9Å
124	H	44.6	Very low	54.2	Low	39 Å²	39	95.6 Å²	95.6	18%	0.181	49%	0.489	C	S	.	.			trans	-68	135.7	-173	-154.9	-87.3	0	0	0	112.3	E121 Y126 L127	E121-H124 HydrophobicContact CB-CB 4.28Å; E121-H124 PolarHBondContact O-N 3.2Å; E121-H124 IonicContact OE2-CD2 3.28Å; E121-H124 PolarHBondContact OE2-CD2 2.88Å; E121-H124 VanDerWaalsContact OE2-CD2 3.28Å; H124-Y126 PolarHBondContact O-N 3.18Å; H124-Y126 VanDerWaalsContact O-N 3.11Å; H124-L127 WeakPolarHBondContact O-CA 3.38Å; H124-L127 VanDerWaalsContact O-CB 3.29Å; H124-L127 WeakPolarHBondContact O-CB 3.25Å; H124-L127 PolarHBondContact O-N 3.38Å
125	S	40.1	Very low	51.6	Low	77 Å²	77	100 Å²	100	54%	0.538	51%	0.511	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-23.5	-174.4	59.1	0	0	0	0	114.8	L127 A128 H129	S125-L127 PolarHBondContact O-N 3.28Å; S125-A128 WeakPolarHBondContact O-CB 3.34Å; S125-A128 PolarHBondContact O-N 2.76Å; S125-H129 PolarHBondContact O-CD2 3.43Å; S125-H129 PolarHBondContact O-N 2.88Å
126	Y	42.6	Very low	49	Very low	66 Å²	66	103.2 Å²	103.2	26%	0.259	53%	0.529	S	S	.	.	H	α-helix	trans	-62.6	-32	171.1	-162.6	-93.8	0	0	0	111.7	L111 H124 A128 H130	L111-Y126 HydrophobicContact CD1-CE1 4.11Å; L111-Y126 WeakPolarHBondContact CD1-OH 3.46Å; H124-Y126 PolarHBondContact O-N 3.18Å; H124-Y126 VanDerWaalsContact O-N 3.11Å; Y126-A128 VanDerWaalsContact C-N 3.34Å; Y126-H130 PolarHBondContact O-N 2.85Å
127	L	39.5	Very low	46.7	Very low	41 Å²	41	108.6 Å²	108.6	22%	0.215	56%	0.559	C	S	.	*	H	α-helix	trans	-79.6	-12.2	171.3	-52.5	171.3	0	0	0	113.6	C118 H124 S125 H130 H132	C118-L127 HydrophobicContact CB-CD1 3.98Å; C118-L127 HydrophobicContact CB-CD2 3.91Å; C118-L127 HydrophobicContact CB-CG 4.01Å; H124-L127 WeakPolarHBondContact O-CA 3.38Å; H124-L127 VanDerWaalsContact O-CB 3.29Å; H124-L127 WeakPolarHBondContact O-CB 3.25Å; H124-L127 PolarHBondContact O-N 3.38Å; S125-L127 PolarHBondContact O-N 3.28Å; L127-H130 CarbonylContact C-O 3.39Å; L127-H130 CarbonylContact O-C 3.57Å; L127-H132 HydrophobicContact CB-CB 4.45Å; L127-H132 HydrophobicContact CD2-CB 3.89Å; L127-H132 WeakPolarHBondContact CD2-CD2 3.37Å
128	A	39.3	Very low	44.6	Very low	80 Å²	80	112.9 Å²	112.9	66%	0.661	58%	0.58	S	S	*	*	H	α-helix	trans	-85.9	-23.6	176.3	0	0	0	0	0	112.2	S125 Y126	S125-A128 WeakPolarHBondContact O-CB 3.34Å; S125-A128 PolarHBondContact O-N 2.76Å; Y126-A128 VanDerWaalsContact C-N 3.34Å
129	H	43.4	Very low	43	Very low	162 Å²	162	116.4 Å²	116.4	75%	0.75	60%	0.598	S	S	*	*	H	α-helix	trans	-93.9	-15	175.1	-66.7	-57.6	0	0	0	113.7	S125	S125-H129 PolarHBondContact O-CD2 3.43Å; S125-H129 PolarHBondContact O-N 2.88Å
130	H	43.2	Very low	41.7	Very low	96 Å²	96	119.5 Å²	119.5	44%	0.444	61%	0.614	S	S	.	*	T	Hydrogen-bonded Turn	trans	-123.2	106.4	169.6	-68.3	-66	0	0	0	107.4	Y126 L127 H132	Y126-H130 PolarHBondContact O-N 2.85Å; L127-H130 CarbonylContact C-O 3.39Å; L127-H130 CarbonylContact O-C 3.57Å; H130-H132 VanDerWaalsContact C-N 3.34Å; H130-H132 PolarHBondContact O-CD2 3.31Å; H130-H132 PolarHBondContact O-N 3.01Å
131	E	37.3	Very low	40.9	Very low	195 Å²	195	118.4 Å²	118.4	91%	0.911	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.7	90.3	179.9	-75.3	-179.8	142.3	0	0	112.1	Q133	E131-Q133 PolarHBondContact O-N 2.85Å
132	H	44.9	Very low	40.1	Very low	79 Å²	79	116.9 Å²	116.9	37%	0.366	61%	0.609	S	S	.	*			trans	-90.5	102.1	169.9	-72.2	-81.5	0	0	0	108.5	L127 H130	L127-H132 HydrophobicContact CB-CB 4.45Å; L127-H132 HydrophobicContact CD2-CB 3.89Å; L127-H132 WeakPolarHBondContact CD2-CD2 3.37Å; H130-H132 VanDerWaalsContact C-N 3.34Å; H130-H132 PolarHBondContact O-CD2 3.31Å; H130-H132 PolarHBondContact O-N 3.01Å
133	Q	37.2	Very low	39.8	Very low	165 Å²	165	115.3 Å²	115.3	77%	0.771	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-66	141.3	168.9	-69	-175.4	-17.6	0	0	110.4	E131 I135	E131-Q133 PolarHBondContact O-N 2.85Å; Q133-I135 PolarHBondContact O-N 2.83Å
134	P	38.7	Very low	39.6	Very low	124 Å²	124	115.7 Å²	115.7	81%	0.805	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-65.4	131.7	-179.1	26.7	-33.7	0	0	0	111.7	N136	P134-N136 PolarHBondContact O-N 2.89Å
135	I	37.8	Very low	40.1	Very low	123 Å²	123	123.7 Å²	123.7	63%	0.631	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-71.6	117.9	-178.1	-59.2	162.6	0	0	0	109.8	Q133	Q133-I135 PolarHBondContact O-N 2.83Å
136	N	34.1	Very low	41.4	Very low	93 Å²	93	121.2 Å²	121.2	50%	0.497	61%	0.614	S	S	.	*			trans	-90.7	112.5	162.8	-165.8	-7.1	0	0	0	108.2	P134 H138 N139 N142	P134-N136 PolarHBondContact O-N 2.89Å; N136-H138 PolarHBondContact O-N 3.48Å; N136-H138 VanDerWaalsContact O-N 3.12Å; N136-N139 PolarHBondContact O-N 2.77Å; N136-N142 PolarHBondContact N-ND2 2.98Å; N136-N142 PolarHBondContact O-ND2 3.44Å
137	V	38.9	Very low	43.4	Very low	125 Å²	125	120.3 Å²	120.3	76%	0.758	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.9	-10	-169	-171.1	0	0	0	0	113
138	H	40.3	Very low	45.7	Very low	171 Å²	171	124 Å²	124	79%	0.792	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.8	7.3	-178.5	-64.7	-63.1	0	0	0	114.8	N136	N136-H138 PolarHBondContact O-N 3.48Å; N136-H138 VanDerWaalsContact O-N 3.12Å
139	N	37	Very low	48.2	Very low	89 Å²	89	124 Å²	124	48%	0.476	63%	0.631	S	S	.	*			trans	-110.6	104.8	-179.5	-121.3	-3.5	0	0	0	110.2	N136 N141 N142	N136-N139 PolarHBondContact O-N 2.77Å; N139-N141 PolarHBondContact O-N 2.66Å; N139-N142 PolarHBondContact O-N 3.49Å
140	E	37.6	Very low	50.4	Low	195 Å²	195	116.9 Å²	116.9	91%	0.911	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59	-13	175.1	-67.9	179.8	162	0	0	113.2
141	N	37.2	Very low	52.5	Low	148 Å²	148	116.8 Å²	116.8	79%	0.791	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.2	1.6	175.2	-72.7	-28.4	0	0	0	115	N139 Q143	N139-N141 PolarHBondContact O-N 2.66Å; N141-Q143 VanDerWaalsContact C-N 3.31Å; N141-Q143 PolarHBondContact O-N 3.43Å
142	N	34.2	Very low	55.1	Low	71 Å²	71	109.2 Å²	109.2	38%	0.38	56%	0.56	S	S	.	*			trans	-89.1	63.9	172	-81	-21.8	0	0	0	110.7	N136 N139 M144	N136-N142 PolarHBondContact N-ND2 2.98Å; N136-N142 PolarHBondContact O-ND2 3.44Å; N139-N142 PolarHBondContact O-N 3.49Å; N142-M144 PolarHBondContact O-N 2.94Å
143	Q	39.9	Very low	57.4	Low	175 Å²	175	105.4 Å²	105.4	82%	0.818	54%	0.542	S	S	*	.			trans	-56.9	115.1	161.3	-89	179.5	-5.6	0	0	107.6	N141 K145	N141-Q143 VanDerWaalsContact C-N 3.31Å; N141-Q143 PolarHBondContact O-N 3.43Å; Q143-K145 PolarHBondContact O-N 3.03Å
144	M	44.6	Very low	59.9	Low	115 Å²	115	100 Å²	100	57%	0.567	52%	0.515	S	S	*	.			trans	-48.2	106.3	169.3	-144.1	169	78.4	0	0	107.6	N142 S146	N142-M144 PolarHBondContact O-N 2.94Å; M144-S146 WeakPolarHBondContact CE-OG 3.21Å; M144-S146 PolarHBondContact O-N 2.79Å
145	K	53.5	Low	62.3	Low	207 Å²	207	96.8 Å²	96.8	90%	0.9	49%	0.489	S	S	*	.			trans	-71.4	42.6	170.5	-78.8	-172.6	178.8	177.5	0	110.3	Q143	Q143-K145 PolarHBondContact O-N 3.03Å
146	S	68.2	Low	64.8	Low	26 Å²	26	91.6 Å²	91.6	18%	0.182	46%	0.463	C	S	.	.			trans	-69.5	137.1	168.6	54.7	0	0	0	0	108.3	M144	M144-S146 WeakPolarHBondContact CE-OG 3.21Å; M144-S146 PolarHBondContact O-N 2.79Å
147	S	85.2	Confident	67.6	Low	47 Å²	47	87.1 Å²	87.1	33%	0.329	44%	0.439	S	S	.	.			trans	-57.4	156.3	172.8	67.4	0	0	0	0	110.7	L149 E150 K151	S147-L149 PolarHBondContact O-N 3.23Å; S147-L149 VanDerWaalsContact O-N 3.11Å; S147-E150 PolarHBondContact N-OE2 3.29Å; S147-E150 PolarHBondContact O-N 3.21Å; S147-E150 VanDerWaalsContact O-N 3.07Å; S147-E150 VanDerWaalsContact OG-CG 3.27Å; S147-E150 WeakPolarHBondContact OG-CG 3.39Å; S147-E150 PolarHBondContact OG-N 3.24Å; S147-E150 VanDerWaalsContact OG-N 3.17Å; S147-E150 PolarHBondContact OG-OE2 2.99Å; S147-K151 PolarHBondContact O-N 3.04Å
148	P	88.1	Confident	70	Confident	117 Å²	117	82 Å²	82	76%	0.76	41%	0.408	S	S	*	.	H	α-helix	trans	-52.4	-35.5	175.7	-28.3	35.3	0	0	0	113.1	W152	P148-W152 WeakPolarHBondContact O-CB 3.27Å; P148-W152 PolarHBondContact O-N 2.9Å
149	L	90.9	Very high	72.5	Confident	80 Å²	80	78.3 Å²	78.3	42%	0.419	39%	0.39	S	S	.	.	H	α-helix	trans	-68.8	-47.7	176.7	-180	62.4	0	0	0	111.9	P62 L111 S147 K151 W152 I153	P62-L149 HydrophobicContact CB-CD1 3.68Å; P62-L149 HydrophobicContact CG-CD1 3.96Å; L111-L149 HydrophobicContact CD2-CD2 3.85Å; L111-L149 HydrophobicContact CD2-CG 3.82Å; S147-L149 PolarHBondContact O-N 3.23Å; S147-L149 VanDerWaalsContact O-N 3.11Å; L149-K151 VanDerWaalsContact C-N 3.31Å; L149-K151 PolarHBondContact O-N 3.15Å; L149-W152 WeakPolarHBondContact O-CB 3.49Å; L149-W152 PolarHBondContact O-N 3.46Å; L149-I153 HydrophobicContact CD1-CD1 4.15Å; L149-I153 HydrophobicContact CD1-CG1 3.86Å; L149-I153 HydrophobicContact CG-CG1 4.17Å; L149-I153 WeakPolarHBondContact O-CB 3.45Å; L149-I153 VanDerWaalsContact O-CG1 3.26Å; L149-I153 WeakPolarHBondContact O-CG1 3.37Å; L149-I153 PolarHBondContact O-N 3.21Å
150	E	90.6	Very high	75.2	Confident	13 Å²	13	74 Å²	74	6%	0.061	37%	0.367	C	S	.	.	H	α-helix	trans	-61.1	-41.6	178.7	-73.4	168.2	153.7	0	0	111.8	L111 L115 S147 I153 W154	L111-E150 HydrophobicContact CD1-CG 4.29Å; L111-E150 HydrophobicContact CD2-CG 4.19Å; L115-E150 HydrophobicContact CD1-CB 4.33Å; L115-E150 HydrophobicContact CD1-CG 4.4Å; L115-E150 HydrophobicContact CD2-CB 4.48Å; L115-E150 HydrophobicContact CD2-CG 4.21Å; S147-E150 PolarHBondContact N-OE2 3.29Å; S147-E150 PolarHBondContact O-N 3.21Å; S147-E150 VanDerWaalsContact O-N 3.07Å; S147-E150 VanDerWaalsContact OG-CG 3.27Å; S147-E150 WeakPolarHBondContact OG-CG 3.39Å; S147-E150 PolarHBondContact OG-N 3.24Å; S147-E150 VanDerWaalsContact OG-N 3.17Å; S147-E150 PolarHBondContact OG-OE2 2.99Å; E150-I153 PolarHBondContact O-N 3.37Å; E150-W154 WeakPolarHBondContact O-CB 3.37Å; E150-W154 PolarHBondContact O-N 3.04Å
151	K	87.1	Confident	77.8	Confident	95 Å²	95	66.4 Å²	66.4	41%	0.413	33%	0.332	S	S	.	.	H	α-helix	trans	-57.9	-51.8	173.7	-176.7	177.8	177.3	-179.5	0	110.7	S147 L149 I153 W154 E155	S147-K151 PolarHBondContact O-N 3.04Å; L149-K151 VanDerWaalsContact C-N 3.31Å; L149-K151 PolarHBondContact O-N 3.15Å; K151-I153 PolarHBondContact O-N 3.12Å; K151-W154 PolarHBondContact O-N 3.04Å; K151-E155 WeakPolarHBondContact CE-OE1 3.21Å; K151-E155 HydrophobicContact CG-CG 4.38Å; K151-E155 WeakPolarHBondContact CG-OE1 3.31Å; K151-E155 IonicContact NZ-OE1 3.91Å; K151-E155 WeakPolarHBondContact O-CB 3.44Å; K151-E155 WeakPolarHBondContact O-CG 3.22Å; K151-E155 PolarHBondContact O-N 3.33Å
152	W	91.4	Very high	80.3	Confident	35 Å²	35	65 Å²	65	13%	0.133	32%	0.321	C	S	.	.	H	α-helix	trans	-56.6	-50	177.8	170.7	-98	0	0	0	112.8	N61 P62 F65 C80 P148 L149 N156	N61-W152 HydrophobicContact CB-CH2 4.47Å; N61-W152 HydrophobicContact CB-CZ2 3.72Å; P62-W152 PolarHBondContact O-NE1 3.39Å; F65-W152 HydrophobicContact CB-CZ2 4.04Å; F65-W152 HydrophobicContact CD2-CZ2 4.45Å; F65-W152 AromaticContact CD2-NE1 3.62Å; C80-W152 HydrophobicContact CB-CZ3 4.42Å; P148-W152 WeakPolarHBondContact O-CB 3.27Å; P148-W152 PolarHBondContact O-N 2.9Å; L149-W152 WeakPolarHBondContact O-CB 3.49Å; L149-W152 PolarHBondContact O-N 3.46Å; W152-N156 VanDerWaalsContact CE3-ND2 3.3Å; W152-N156 WeakPolarHBondContact O-CB 3.4Å; W152-N156 PolarHBondContact O-N 2.9Å; W152-N156 PolarHBondContact O-ND2 3.11Å
153	I	92.8	Very high	83	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-64.1	-42.7	-179.7	-65	-56.9	0	0	0	111	P62 F65 A108 L111 L112 L115 L149 E150 K151 G157	P62-I153 HydrophobicContact CB-CD1 4.29Å; F65-I153 HydrophobicContact CD2-CD1 4.47Å; F65-I153 HydrophobicContact CE2-CD1 3.55Å; F65-I153 HydrophobicContact CZ-CD1 4.29Å; A108-I153 HydrophobicContact CB-CD1 3.59Å; L111-I153 HydrophobicContact CD2-CG1 4.02Å; L112-I153 HydrophobicContact CB-CG2 3.62Å; L112-I153 HydrophobicContact CD1-CG2 3.9Å; L112-I153 HydrophobicContact CG-CG2 4.32Å; L115-I153 HydrophobicContact CD1-CB 4.4Å; L115-I153 HydrophobicContact CD1-CG2 4.16Å; L149-I153 HydrophobicContact CD1-CD1 4.15Å; L149-I153 HydrophobicContact CD1-CG1 3.86Å; L149-I153 HydrophobicContact CG-CG1 4.17Å; L149-I153 WeakPolarHBondContact O-CB 3.45Å; L149-I153 VanDerWaalsContact O-CG1 3.26Å; L149-I153 WeakPolarHBondContact O-CG1 3.37Å; L149-I153 PolarHBondContact O-N 3.21Å; E150-I153 PolarHBondContact O-N 3.37Å; K151-I153 PolarHBondContact O-N 3.12Å; I153-G157 VanDerWaalsContact O-CA 3.3Å; I153-G157 WeakPolarHBondContact O-CA 3.27Å; I153-G157 PolarHBondContact O-N 2.78Å
154	W	90.6	Very high	85.5	Confident	50 Å²	50	56.2 Å²	56.2	19%	0.189	28%	0.279	C	S	.	.	H	α-helix	trans	-66.3	-51.1	-179.2	-177.1	-96.5	0	0	0	111.6	L115 K119 E150 K151 N156 C158 L161	L115-W154 HydrophobicContact CB-CE3 4.04Å; L115-W154 HydrophobicContact CB-CZ3 4.4Å; L115-W154 HydrophobicContact CD1-CB 4.5Å; K119-W154 HydrophobicContact CD-CH2 3.43Å; K119-W154 VanDerWaalsContact CD-CH2 3.43Å; K119-W154 HydrophobicContact CD-CZ2 3.76Å; K119-W154 HydrophobicContact CD-CZ3 4.01Å; K119-W154 HydrophobicContact CG-CH2 4.31Å; K119-W154 HydrophobicContact CG-CZ3 4.47Å; E150-W154 WeakPolarHBondContact O-CB 3.37Å; E150-W154 PolarHBondContact O-N 3.04Å; K151-W154 PolarHBondContact O-N 3.04Å; W154-N156 VanDerWaalsContact C-N 3.28Å; W154-N156 PolarHBondContact O-N 3.13Å; W154-C158 HydrophobicContact CD2-CB 4.22Å; W154-C158 HydrophobicContact CH2-CB 4.12Å; W154-C158 HydrophobicContact CZ2-CB 3.64Å; W154-C158 WeakPolarHBondContact O-CB 3.43Å; W154-C158 PolarHBondContact O-N 3.35Å; W154-C158 PolarHBondContact O-SG 2.91Å; W154-C158 VanDerWaalsContact O-SG 3.32Å; W154-L161 HydrophobicContact CZ3-CD1 4.09Å
155	E	87.4	Confident	87.5	Confident	57 Å²	57	54.8 Å²	54.8	27%	0.266	27%	0.273	S	S	.	.	H	α-helix	trans	-59	-39.6	-178	-73.8	174.3	173.8	0	0	112.1	N77 K151	N77-E155 PolarHBondContact ND2-OE2 3.15Å; K151-E155 WeakPolarHBondContact CE-OE1 3.21Å; K151-E155 HydrophobicContact CG-CG 4.38Å; K151-E155 WeakPolarHBondContact CG-OE1 3.31Å; K151-E155 IonicContact NZ-OE1 3.91Å; K151-E155 WeakPolarHBondContact O-CB 3.44Å; K151-E155 WeakPolarHBondContact O-CG 3.22Å; K151-E155 PolarHBondContact O-N 3.33Å
156	N	91.9	Very high	89.1	Confident	14 Å²	14	48.7 Å²	48.7	8%	0.075	25%	0.25	C	C	.	.	H	α-helix	trans	-95.8	-20.9	-174.6	-63.2	-72.5	0	0	0	114.5	F65 C67 W152 W154	F65-N156 HydrophobicContact CB-CB 3.66Å; F65-N156 HydrophobicContact CD1-CB 3.57Å; F65-N156 VanDerWaalsContact CD1-O 3.29Å; F65-N156 WeakPolarHBondContact CD1-O 3.43Å; F65-N156 HydrophobicContact CD2-CB 4.02Å; F65-N156 HydrophobicContact CE1-CB 4.21Å; F65-N156 WeakPolarHBondContact CE1-O 3.47Å; F65-N156 HydrophobicContact CG-CB 3.46Å; F65-N156 VanDerWaalsContact CG-CB 3.46Å; C67-N156 PolarHBondContact SG-OD1 3.4Å; W152-N156 VanDerWaalsContact CE3-ND2 3.3Å; W152-N156 WeakPolarHBondContact O-CB 3.4Å; W152-N156 PolarHBondContact O-N 2.9Å; W152-N156 PolarHBondContact O-ND2 3.11Å; W154-N156 VanDerWaalsContact C-N 3.28Å; W154-N156 PolarHBondContact O-N 3.13Å
157	G	92.6	Very high	90.1	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-106.1	-13.8	-177.6	0	0	0	0	0	115	F65 I153 K159 T160 L161	F65-G157 VanDerWaalsContact CE1-CA 3.43Å; I153-G157 VanDerWaalsContact O-CA 3.3Å; I153-G157 WeakPolarHBondContact O-CA 3.27Å; I153-G157 PolarHBondContact O-N 2.78Å; G157-K159 PolarHBondContact O-N 3.14Å; G157-T160 VanDerWaalsContact O-CB 3.27Å; G157-T160 WeakPolarHBondContact O-CB 3.45Å; G157-T160 PolarHBondContact O-N 2.88Å; G157-L161 PolarHBondContact O-N 3.2Å; G157-L161 VanDerWaalsContact O-N 3.13Å
158	C	89.9	Confident	90.3	Very high	16 Å²	16	57.1 Å²	57.1	11%	0.108	28%	0.284	C	S	.	.	H	α-helix	trans	-58.3	-35.9	-177.4	63.9	0	0	0	0	112.7	W154 L161 Q162	W154-C158 HydrophobicContact CD2-CB 4.22Å; W154-C158 HydrophobicContact CH2-CB 4.12Å; W154-C158 HydrophobicContact CZ2-CB 3.64Å; W154-C158 WeakPolarHBondContact O-CB 3.43Å; W154-C158 PolarHBondContact O-N 3.35Å; W154-C158 PolarHBondContact O-SG 2.91Å; W154-C158 VanDerWaalsContact O-SG 3.32Å; C158-L161 PolarHBondContact O-N 3.39Å; C158-Q162 WeakPolarHBondContact O-CG 3.43Å; C158-Q162 PolarHBondContact O-N 3.21Å
159	K	91	Very high	90.6	Very high	94 Å²	94	57.1 Å²	57.1	41%	0.409	28%	0.278	S	S	.	.	H	α-helix	trans	-68.4	-36.1	178	-169.1	58.8	176.8	177	0	112.2	G157 Q162 N163 Q207	G157-K159 PolarHBondContact O-N 3.14Å; K159-Q162 VanDerWaalsContact CD-OE1 3.23Å; K159-Q162 PolarHBondContact O-N 3.12Å; K159-N163 PolarHBondContact O-N 2.88Å; K159-N163 VanDerWaalsContact O-N 3.13Å; K159-Q207 HydrophobicContact CB-CG 4.4Å; K159-Q207 HydrophobicContact CG-CG 4.4Å
160	T	94.5	Very high	90.8	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-57.7	-50.7	171.3	-54.8	0	0	0	0	109.9	G157 Q162 N163 F164 L200 A203 N204 Q207	G157-T160 VanDerWaalsContact O-CB 3.27Å; G157-T160 WeakPolarHBondContact O-CB 3.45Å; G157-T160 PolarHBondContact O-N 2.88Å; T160-Q162 VanDerWaalsContact C-N 3.35Å; T160-Q162 PolarHBondContact O-N 2.71Å; T160-N163 CarbonylContact O-C 3.55Å; T160-N163 PolarHBondContact O-N 2.82Å; T160-N163 VanDerWaalsContact O-N 3.15Å; T160-F164 VanDerWaalsContact O-CB 3.28Å; T160-F164 WeakPolarHBondContact O-CB 3.44Å; T160-F164 PolarHBondContact O-N 2.87Å; T160-L200 HydrophobicContact CG2-CD1 3.8Å; T160-A203 HydrophobicContact CG2-CB 4.33Å; T160-N204 VanDerWaalsContact CG2-CA 3.47Å; T160-N204 HydrophobicContact CG2-CB 3.82Å; T160-N204 PolarHBondContact OG1-OD1 2.86Å; T160-Q207 WeakPolarHBondContact OG1-CB 3.33Å; T160-Q207 WeakPolarHBondContact OG1-CG 3.41Å
161	L	91.7	Very high	91.1	Very high	34 Å²	34	55.8 Å²	55.8	18%	0.178	27%	0.271	C	S	.	.	H	α-helix	trans	-60	-41.8	178.2	-73.7	176	0	0	0	113	L112 W154 G157 C158 N163 F164 L200	L112-L161 HydrophobicContact CD1-CD1 3.45Å; L112-L161 VanDerWaalsContact CD1-CD1 3.45Å; L112-L161 HydrophobicContact CD1-CG 3.79Å; L112-L161 HydrophobicContact CD2-CD2 4.45Å; L112-L161 HydrophobicContact CD2-CG 4.08Å; L112-L161 HydrophobicContact CG-CD1 3.73Å; L112-L161 HydrophobicContact CG-CD2 4.03Å; L112-L161 HydrophobicContact CG-CG 3.67Å; L112-L161 WeakPolarHBondContact O-CD1 3.43Å; W154-L161 HydrophobicContact CZ3-CD1 4.09Å; G157-L161 PolarHBondContact O-N 3.2Å; G157-L161 VanDerWaalsContact O-N 3.13Å; C158-L161 PolarHBondContact O-N 3.39Å; L161-N163 PolarHBondContact O-N 3.35Å; L161-F164 PolarHBondContact O-N 2.87Å; L161-F164 VanDerWaalsContact O-N 3.11Å; L161-L200 HydrophobicContact CD2-CD1 4.03Å; L161-L200 HydrophobicContact CD2-CD2 4.09Å
162	Q	89.7	Confident	91.5	Very high	120 Å²	120	53.6 Å²	53.6	56%	0.561	27%	0.268	S	S	*	.	H	α-helix	trans	-60	-36.1	177.6	-73.2	172.3	3.6	0	0	112.3	C158 K159 T160	C158-Q162 WeakPolarHBondContact O-CG 3.43Å; C158-Q162 PolarHBondContact O-N 3.21Å; K159-Q162 VanDerWaalsContact CD-OE1 3.23Å; K159-Q162 PolarHBondContact O-N 3.12Å; T160-Q162 VanDerWaalsContact C-N 3.35Å; T160-Q162 PolarHBondContact O-N 2.71Å
163	N	91.2	Very high	91.7	Very high	39 Å²	39	52 Å²	52	21%	0.209	26%	0.262	C	S	.	.	H	α-helix	trans	-87.1	-12	178.2	-69	-17.8	0	0	0	112.7	K159 T160 L161 N165 F173 Q207	K159-N163 PolarHBondContact O-N 2.88Å; K159-N163 VanDerWaalsContact O-N 3.13Å; T160-N163 CarbonylContact O-C 3.55Å; T160-N163 PolarHBondContact O-N 2.82Å; T160-N163 VanDerWaalsContact O-N 3.15Å; L161-N163 PolarHBondContact O-N 3.35Å; N163-N165 VanDerWaalsContact C-N 3.31Å; N163-N165 PolarHBondContact O-N 3.31Å; N163-F173 HydrophobicContact CB-CD1 3.99Å; N163-F173 HydrophobicContact CB-CE1 3.72Å; N163-Q207 PolarHBondContact ND2-OE1 3.42Å
164	F	92.4	Very high	91.7	Very high	22 Å²	22	59.2 Å²	59.2	10%	0.096	29%	0.293	C	S	.	.			trans	-83.9	68.9	-179.7	-166.6	-109.7	0	0	0	111.6	T160 L161 L166 L171 E196 L199 L200 A203	T160-F164 VanDerWaalsContact O-CB 3.28Å; T160-F164 WeakPolarHBondContact O-CB 3.44Å; T160-F164 PolarHBondContact O-N 2.87Å; L161-F164 PolarHBondContact O-N 2.87Å; L161-F164 VanDerWaalsContact O-N 3.11Å; F164-L166 HydrophobicContact CD1-CG 4.44Å; F164-L166 HydrophobicContact CE1-CD1 3.92Å; F164-L166 HydrophobicContact CE1-CD2 4.02Å; F164-L166 HydrophobicContact CE1-CG 3.98Å; F164-L166 HydrophobicContact CE2-CD2 4.06Å; F164-L166 HydrophobicContact CZ-CD1 4.23Å; F164-L166 HydrophobicContact CZ-CD2 3.73Å; F164-L166 HydrophobicContact CZ-CG 4.21Å; F164-L171 HydrophobicContact CD2-CD1 3.66Å; F164-L171 HydrophobicContact CE2-CD1 3.96Å; F164-E196 HydrophobicContact CE1-CG 4.04Å; F164-E196 HydrophobicContact CZ-CG 4.3Å; F164-L199 HydrophobicContact CE2-CB 4.3Å; F164-L199 HydrophobicContact CE2-CD2 4.2Å; F164-L199 HydrophobicContact CE2-CG 3.84Å; F164-L199 HydrophobicContact CZ-CB 4.2Å; F164-L199 HydrophobicContact CZ-CD2 4.14Å; F164-L199 HydrophobicContact CZ-CG 4.07Å; F164-L200 HydrophobicContact CB-CD1 4.05Å; F164-L200 HydrophobicContact CD1-CD1 3.91Å; F164-L200 HydrophobicContact CD2-CB 4.49Å; F164-L200 HydrophobicContact CD2-CD1 3.92Å; F164-L200 HydrophobicContact CE1-CB 4.11Å; F164-L200 HydrophobicContact CE1-CD1 4.3Å; F164-L200 VanDerWaalsContact CE2-CA 3.49Å; F164-L200 HydrophobicContact CE2-CB 4.03Å; F164-L200 HydrophobicContact CE2-CD1 4.3Å; F164-L200 HydrophobicContact CG-CD1 3.69Å; F164-L200 HydrophobicContact CZ-CB 3.81Å; F164-L200 HydrophobicContact CZ-CD1 4.48Å; F164-A203 HydrophobicContact CD2-CB 3.64Å; F164-A203 HydrophobicContact CE2-CB 4Å
165	N	87.4	Confident	91.6	Very high	84 Å²	84	58.3 Å²	58.3	45%	0.449	30%	0.295	S	S	.	.			trans	-103.9	98.9	179.7	-178.5	9.2	0	0	0	111.8	N163 K167 S168 L171	N163-N165 VanDerWaalsContact C-N 3.31Å; N163-N165 PolarHBondContact O-N 3.31Å; N165-K167 PolarHBondContact O-N 3Å; N165-K167 VanDerWaalsContact OD1-CB 3.28Å; N165-K167 WeakPolarHBondContact OD1-CB 3.49Å; N165-K167 WeakPolarHBondContact OD1-CG 3.26Å; N165-K167 PolarHBondContact OD1-N 2.84Å; N165-K167 VanDerWaalsContact OD1-N 3.12Å; N165-S168 PolarHBondContact O-N 3.03Å; N165-L171 VanDerWaalsContact O-CD2 3.31Å; N165-L171 WeakPolarHBondContact O-CD2 3.24Å
166	L	87.7	Confident	91.6	Very high	79 Å²	79	61.6 Å²	61.6	41%	0.414	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	6.2	-179.5	-58	179.1	0	0	0	114.8	F164 S168 L188 E196 L199	F164-L166 HydrophobicContact CD1-CG 4.44Å; F164-L166 HydrophobicContact CE1-CD1 3.92Å; F164-L166 HydrophobicContact CE1-CD2 4.02Å; F164-L166 HydrophobicContact CE1-CG 3.98Å; F164-L166 HydrophobicContact CE2-CD2 4.06Å; F164-L166 HydrophobicContact CZ-CD1 4.23Å; F164-L166 HydrophobicContact CZ-CD2 3.73Å; F164-L166 HydrophobicContact CZ-CG 4.21Å; L166-S168 VanDerWaalsContact C-N 3.27Å; L166-L188 HydrophobicContact CD2-CD1 3.78Å; L166-E196 HydrophobicContact CD1-CG 4Å; L166-L199 HydrophobicContact CD2-CD2 3.65Å
167	K	88.2	Confident	91.2	Very high	195 Å²	195	63.8 Å²	63.8	85%	0.848	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-11.9	171.4	-62.4	179.1	179.4	179.4	0	113.2	N165	N165-K167 PolarHBondContact O-N 3Å; N165-K167 VanDerWaalsContact OD1-CB 3.28Å; N165-K167 WeakPolarHBondContact OD1-CB 3.49Å; N165-K167 WeakPolarHBondContact OD1-CG 3.26Å; N165-K167 PolarHBondContact OD1-N 2.84Å; N165-K167 VanDerWaalsContact OD1-N 3.12Å
168	S	89.7	Confident	91.1	Very high	55 Å²	55	64.4 Å²	64.4	39%	0.385	34%	0.338	S	S	.	.	S	Bend	trans	-110.1	143	177.6	177.9	0	0	0	0	109.6	N165 L166 I170 L188	N165-S168 PolarHBondContact O-N 3.03Å; L166-S168 VanDerWaalsContact C-N 3.27Å; S168-I170 WeakPolarHBondContact CB-O 3.44Å; S168-I170 PolarHBondContact O-N 3.34Å; S168-I170 PolarHBondContact OG-N 3.14Å; S168-I170 PolarHBondContact OG-O 2.63Å; S168-L188 VanDerWaalsContact O-CD1 3.22Å; S168-L188 WeakPolarHBondContact O-CD1 3.45Å
169	D	93.5	Very high	91.1	Very high	117 Å²	117	69.8 Å²	69.8	63%	0.626	37%	0.373	S	S	*	.	S	Bend	trans	-68.1	-17.5	171.2	-70.5	-32.8	0	0	0	112.4	L188 T189	D169-L188 VanDerWaalsContact O-CB 3.26Å; D169-L188 WeakPolarHBondContact O-CB 3.47Å; D169-L188 WeakPolarHBondContact O-CG 3.35Å; D169-L188 PolarHBondContact O-N 3.31Å; D169-T189 HydrophobicContact CB-CG2 4.14Å
170	I	95.7	Very high	91.2	Very high	61 Å²	61	70.4 Å²	70.4	31%	0.313	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	126.5	178.4	-58.8	177.3	0	0	0	109.5	S168 E185 L186	S168-I170 WeakPolarHBondContact CB-O 3.44Å; S168-I170 PolarHBondContact O-N 3.34Å; S168-I170 PolarHBondContact OG-N 3.14Å; S168-I170 PolarHBondContact OG-O 2.63Å; I170-E185 HydrophobicContact CG2-CB 3.89Å; I170-E185 HydrophobicContact CG2-CG 4.24Å; I170-L186 WeakPolarHBondContact CA-O 3.33Å
171	L	96.4	Very high	91.2	Very high	4 Å²	4	71.3 Å²	71.3	2%	0.021	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	137.5	164.8	-56.5	-178.2	0	0	0	109.3	F164 N165 F173 E185 L186 L188 A203	F164-L171 HydrophobicContact CD2-CD1 3.66Å; F164-L171 HydrophobicContact CE2-CD1 3.96Å; N165-L171 VanDerWaalsContact O-CD2 3.31Å; N165-L171 WeakPolarHBondContact O-CD2 3.24Å; L171-F173 HydrophobicContact CB-CE2 3.75Å; L171-F173 HydrophobicContact CB-CZ 4.14Å; L171-F173 HydrophobicContact CD1-CZ 4.44Å; L171-E185 CarbonylContact O-C 3.5Å; L171-E185 WeakPolarHBondContact O-CA 3.43Å; L171-L186 HydrophobicContact CB-CB 4.28Å; L171-L186 PolarHBondContact N-O 3.28Å; L171-L186 PolarHBondContact O-N 2.77Å; L171-L188 HydrophobicContact CD1-CD2 3.89Å; L171-L188 HydrophobicContact CD2-CD1 4.18Å; L171-L188 HydrophobicContact CG-CD1 4.07Å; L171-L188 HydrophobicContact CG-CD2 3.84Å; L171-L188 HydrophobicContact CG-CG 4.15Å; L171-A203 HydrophobicContact CD1-CB 4.19Å
172	S	96	Very high	91.3	Very high	50 Å²	50	70.7 Å²	70.7	35%	0.35	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	127.5	-177.8	-173.1	0	0	0	0	110.9	T183	S172-T183 WeakPolarHBondContact OG-CG2 3.27Å
173	F	95.4	Very high	91.6	Very high	0 Å²	0	68.9 Å²	68.9	0%	0	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	119.4	-179.1	-55.6	-94.9	0	0	0	108.4	N163 L171 L184 A203 L206 Q207 I210	N163-F173 HydrophobicContact CB-CD1 3.99Å; N163-F173 HydrophobicContact CB-CE1 3.72Å; L171-F173 HydrophobicContact CB-CE2 3.75Å; L171-F173 HydrophobicContact CB-CZ 4.14Å; L171-F173 HydrophobicContact CD1-CZ 4.44Å; F173-L184 HydrophobicContact CB-CB 4.41Å; F173-L184 PolarHBondContact N-O 2.88Å; F173-L184 PolarHBondContact O-N 3.45Å; F173-A203 HydrophobicContact CE1-CB 4.38Å; F173-A203 WeakPolarHBondContact CE1-O 3.3Å; F173-A203 HydrophobicContact CZ-CB 3.67Å; F173-L206 HydrophobicContact CD1-CB 4.49Å; F173-L206 HydrophobicContact CD2-CB 3.75Å; F173-L206 HydrophobicContact CD2-CD1 3.86Å; F173-L206 HydrophobicContact CD2-CG 4.45Å; F173-L206 HydrophobicContact CE2-CB 4.06Å; F173-L206 HydrophobicContact CE2-CD1 3.9Å; F173-L206 HydrophobicContact CG-CB 4.01Å; F173-Q207 HydrophobicContact CD1-CB 3.96Å; F173-Q207 HydrophobicContact CE1-CB 4.15Å; F173-I210 HydrophobicContact CB-CG1 3.92Å
174	K	92.7	Very high	91.9	Very high	152 Å²	152	67.1 Å²	67.1	66%	0.661	37%	0.367	S	S	*	.			trans	-145.4	154.4	-178.9	63.3	-177.4	179.3	-177.1	0	110.9	T183	K174-T183 HydrophobicContact CB-CG2 4.43Å
175	S	89.1	Confident	92.1	Very high	32 Å²	32	68.6 Å²	68.6	22%	0.224	38%	0.375	C	S	.	.			trans	-141.6	140.3	171.7	178.4	0	0	0	0	109.9	I177 I210	S175-I177 WeakPolarHBondContact OG-CB 3.22Å; S175-I177 WeakPolarHBondContact OG-CD1 3.49Å; S175-I177 VanDerWaalsContact OG-CG1 3.27Å; S175-I177 WeakPolarHBondContact OG-CG1 3.36Å; S175-I177 PolarHBondContact OG-N 2.94Å; S175-I177 VanDerWaalsContact OG-N 3.17Å; S175-I210 VanDerWaalsContact CB-CG2 3.47Å
176	S	86.2	Confident	92.6	Very high	125 Å²	125	64.6 Å²	64.6	87%	0.874	35%	0.353	S	S	*	.	S	Bend	trans	-93.5	6.3	172.8	57.4	0	0	0	0	112.8
177	I	85.4	Confident	93.1	Very high	61 Å²	61	62.6 Å²	62.6	31%	0.313	34%	0.343	S	S	.	.	S	Bend	trans	-66	-41.6	-176.6	-64.8	168	0	0	0	111.4	K70 S175	K70-I177 HydrophobicContact CB-CD1 4.16Å; K70-I177 HydrophobicContact CD-CG2 4.06Å; S175-I177 WeakPolarHBondContact OG-CB 3.22Å; S175-I177 WeakPolarHBondContact OG-CD1 3.49Å; S175-I177 VanDerWaalsContact OG-CG1 3.27Å; S175-I177 WeakPolarHBondContact OG-CG1 3.36Å; S175-I177 PolarHBondContact OG-N 2.94Å; S175-I177 VanDerWaalsContact OG-N 3.17Å
178	H	89.1	Confident	93.4	Very high	12 Å²	12	54.4 Å²	54.4	6%	0.056	31%	0.308	C	S	.	.	S	Bend	trans	-123.7	132.4	179.5	-171.9	-86.6	0	0	0	110.9	K180 C181 Y213 T219	H178-K180 PolarHBondContact ND1-N 3.16Å; H178-K180 VanDerWaalsContact ND1-N 3.12Å; H178-K180 PolarHBondContact O-N 3.01Å; H178-K180 VanDerWaalsContact O-N 3.15Å; H178-C181 HydrophobicContact CB-CB 4.44Å; H178-C181 WeakPolarHBondContact O-CB 3.45Å; H178-C181 PolarHBondContact O-N 2.98Å; H178-Y213 VanDerWaalsContact CB-O 3.25Å; H178-Y213 WeakPolarHBondContact CB-O 3.36Å; H178-T219 PolarHBondContact NE2-O 2.64Å
179	P	90.9	Very high	93.5	Very high	130 Å²	130	54.5 Å²	54.5	84%	0.844	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-28	-175.7	-26.1	34.2	0	0	0	115.3
180	K	92.6	Very high	93.4	Very high	107 Å²	107	53.4 Å²	53.4	47%	0.465	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	1.2	176	-60.7	-70	-169.1	171.1	0	113.9	H178 P182 Y213	H178-K180 PolarHBondContact ND1-N 3.16Å; H178-K180 VanDerWaalsContact ND1-N 3.12Å; H178-K180 PolarHBondContact O-N 3.01Å; H178-K180 VanDerWaalsContact O-N 3.15Å; K180-P182 WeakPolarHBondContact O-CD 3.49Å; K180-Y213 WeakPolarHBondContact O-CE1 3.34Å
181	C	93.8	Very high	93	Very high	18 Å²	18	51 Å²	51	12%	0.122	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-64.1	121	177.8	-168.9	0	0	0	0	109.4	H178 Y213	H178-C181 HydrophobicContact CB-CB 4.44Å; H178-C181 WeakPolarHBondContact O-CB 3.45Å; H178-C181 PolarHBondContact O-N 2.98Å; C181-Y213 HydrophobicContact CB-CD1 3.99Å; C181-Y213 HydrophobicContact CB-CG 4.02Å
182	P	94.5	Very high	92.5	Very high	21 Å²	21	59.1 Å²	59.1	14%	0.136	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-72.9	160	179.5	32.4	-37.3	0	0	0	111.1	K180 L184 I210 Y213	K180-P182 WeakPolarHBondContact O-CD 3.49Å; P182-L184 HydrophobicContact CB-CD2 4.01Å; P182-L184 HydrophobicContact CG-CD2 3.69Å; P182-L184 HydrophobicContact CG-CG 4.18Å; P182-I210 VanDerWaalsContact O-CD1 3.25Å; P182-I210 WeakPolarHBondContact O-CD1 3.1Å; P182-Y213 VanDerWaalsContact CD-CZ 3.45Å; P182-Y213 HydrophobicContact CG-CE2 4.31Å
183	T	96.2	Very high	92.3	Very high	83 Å²	83	63 Å²	63	51%	0.509	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-85	123.5	157	-61.3	0	0	0	0	107.6	S172 K174 E185	S172-T183 WeakPolarHBondContact OG-CG2 3.27Å; K174-T183 HydrophobicContact CB-CG2 4.43Å; T183-E185 HydrophobicContact CG2-CG 4.11Å
184	L	97.2	Very high	92.2	Very high	1 Å²	1	64.2 Å²	64.2	1%	0.005	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	135.9	175	-52.9	178.8	0	0	0	108.5	F173 P182 L206 M209 I210 Y244 R246	F173-L184 HydrophobicContact CB-CB 4.41Å; F173-L184 PolarHBondContact N-O 2.88Å; F173-L184 PolarHBondContact O-N 3.45Å; P182-L184 HydrophobicContact CB-CD2 4.01Å; P182-L184 HydrophobicContact CG-CD2 3.69Å; P182-L184 HydrophobicContact CG-CG 4.18Å; L184-L206 HydrophobicContact CB-CB 4.45Å; L184-L206 HydrophobicContact CB-CD1 4.42Å; L184-L206 HydrophobicContact CD1-CB 4.34Å; L184-L206 HydrophobicContact CD1-CD2 4.38Å; L184-M209 HydrophobicContact CD1-CB 3.8Å; L184-M209 HydrophobicContact CD1-CE 3.85Å; L184-M209 HydrophobicContact CD1-SD 4.05Å; L184-I210 HydrophobicContact CD1-CD1 3.97Å; L184-I210 HydrophobicContact CD1-CG1 4.13Å; L184-I210 HydrophobicContact CG-CD1 3.97Å; L184-Y244 HydrophobicContact CB-CE1 4.36Å; L184-Y244 HydrophobicContact CD2-CE1 3.97Å; L184-R246 HydrophobicContact CD2-CG 4.41Å
185	E	97.5	Very high	92.4	Very high	54 Å²	54	60.6 Å²	60.6	25%	0.252	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	144.2	-177	-63.3	-173.9	142.3	0	0	111.4	I170 L171 T183 Y244 K249	I170-E185 HydrophobicContact CG2-CB 3.89Å; I170-E185 HydrophobicContact CG2-CG 4.24Å; L171-E185 CarbonylContact O-C 3.5Å; L171-E185 WeakPolarHBondContact O-CA 3.43Å; T183-E185 HydrophobicContact CG2-CG 4.11Å; E185-Y244 PolarHBondContact N-OH 2.92Å; E185-Y244 VanDerWaalsContact O-CE2 3.32Å; E185-Y244 WeakPolarHBondContact O-CE2 3.35Å; E185-Y244 PolarHBondContact O-OH 3.04Å; E185-K249 HydrophobicContact CB-CB 4.31Å; E185-K249 HydrophobicContact CB-CD 3.92Å; E185-K249 HydrophobicContact CB-CG 4.11Å; E185-K249 CarbonylContact O-C 3.51Å; E185-K249 WeakPolarHBondContact O-CA 3.09Å; E185-K249 WeakPolarHBondContact O-CB 3.49Å; E185-K249 WeakPolarHBondContact OE2-CD 3.22Å; E185-K249 WeakPolarHBondContact OE2-CE 3.34Å; E185-K249 IonicContact OE2-NZ 2.67Å; E185-K249 PolarHBondContact OE2-NZ 3.36Å
186	L	97.4	Very high	92.6	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	113.5	174.2	-170	64.5	0	0	0	109.2	I170 L171 L188 T191 L199 Q202 L206 K249 F251	I170-L186 WeakPolarHBondContact CA-O 3.33Å; L171-L186 HydrophobicContact CB-CB 4.28Å; L171-L186 PolarHBondContact N-O 3.28Å; L171-L186 PolarHBondContact O-N 2.77Å; L186-L188 HydrophobicContact CD2-CD2 4.34Å; L186-L188 HydrophobicContact CG-CD2 4.32Å; L186-L188 PolarHBondContact O-N 3.15Å; L186-T191 HydrophobicContact CD1-CG2 4.39Å; L186-L199 HydrophobicContact CD2-CD1 3.71Å; L186-Q202 HydrophobicContact CD2-CB 4.13Å; L186-L206 HydrophobicContact CB-CD1 3.93Å; L186-K249 CarbonylContact C-O 3.49Å; L186-K249 VanDerWaalsContact CA-O 3.32Å; L186-K249 WeakPolarHBondContact CA-O 3.41Å; L186-F251 HydrophobicContact CD1-CD2 4.21Å
187	D	96.9	Very high	93.1	Very high	36 Å²	36	58.6 Å²	58.6	19%	0.193	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	106.9	175.4	-174.3	-20.5	0	0	0	109.9	T189 L190 K249	D187-T189 PolarHBondContact O-N 3.37Å; D187-T189 VanDerWaalsContact OD1-CB 3.26Å; D187-T189 WeakPolarHBondContact OD1-CB 3.41Å; D187-T189 WeakPolarHBondContact OD1-CG2 3.37Å; D187-T189 PolarHBondContact OD1-N 2.67Å; D187-T189 PolarHBondContact OD1-OG1 2.96Å; D187-T189 PolarHBondContact OD2-OG1 3.45Å; D187-L190 HydrophobicContact CB-CD1 4.16Å; D187-L190 HydrophobicContact CB-CG 4.29Å; D187-L190 PolarHBondContact O-N 3.35Å; D187-K249 HydrophobicContact CB-CB 4.15Å; D187-K249 PolarHBondContact N-O 3.27Å
188	L	94.5	Very high	93.6	Very high	24 Å²	24	56.2 Å²	56.2	13%	0.126	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-69.1	-18.2	-177	-57.2	-167.1	0	0	0	112.8	L166 S168 D169 L171 L186 L190 T191 L199	L166-L188 HydrophobicContact CD2-CD1 3.78Å; S168-L188 VanDerWaalsContact O-CD1 3.22Å; S168-L188 WeakPolarHBondContact O-CD1 3.45Å; D169-L188 VanDerWaalsContact O-CB 3.26Å; D169-L188 WeakPolarHBondContact O-CB 3.47Å; D169-L188 WeakPolarHBondContact O-CG 3.35Å; D169-L188 PolarHBondContact O-N 3.31Å; L171-L188 HydrophobicContact CD1-CD2 3.89Å; L171-L188 HydrophobicContact CD2-CD1 4.18Å; L171-L188 HydrophobicContact CG-CD1 4.07Å; L171-L188 HydrophobicContact CG-CD2 3.84Å; L171-L188 HydrophobicContact CG-CG 4.15Å; L186-L188 HydrophobicContact CD2-CD2 4.34Å; L186-L188 HydrophobicContact CG-CD2 4.32Å; L186-L188 PolarHBondContact O-N 3.15Å; L188-L190 PolarHBondContact O-N 2.84Å; L188-T191 WeakPolarHBondContact CA-OG1 3.26Å; L188-T191 PolarHBondContact O-N 2.8Å; L188-T191 PolarHBondContact O-OG1 3.23Å; L188-T191 VanDerWaalsContact O-OG1 3.09Å; L188-L199 HydrophobicContact CD1-CD2 4.46Å; L188-L199 HydrophobicContact CD2-CD1 3.72Å; L188-L199 HydrophobicContact CD2-CD2 3.75Å; L188-L199 HydrophobicContact CD2-CG 4.15Å
189	T	92.7	Very high	94	Very high	57 Å²	57	56.4 Å²	56.4	35%	0.35	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-69.5	-23.8	177.5	74.3	0	0	0	0	112	D169 D187 K192	D169-T189 HydrophobicContact CB-CG2 4.14Å; D187-T189 PolarHBondContact O-N 3.37Å; D187-T189 VanDerWaalsContact OD1-CB 3.26Å; D187-T189 WeakPolarHBondContact OD1-CB 3.41Å; D187-T189 WeakPolarHBondContact OD1-CG2 3.37Å; D187-T189 PolarHBondContact OD1-N 2.67Å; D187-T189 PolarHBondContact OD1-OG1 2.96Å; D187-T189 PolarHBondContact OD2-OG1 3.45Å; T189-K192 WeakPolarHBondContact O-CE 3.3Å; T189-K192 WeakPolarHBondContact O-CG 3.37Å
190	L	91.8	Very high	94.3	Very high	93 Å²	93	50.2 Å²	50.2	49%	0.487	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-88	-10.9	177.4	-57.8	180	0	0	0	113	D187 L188 A250	D187-L190 HydrophobicContact CB-CD1 4.16Å; D187-L190 HydrophobicContact CB-CG 4.29Å; D187-L190 PolarHBondContact O-N 3.35Å; L188-L190 PolarHBondContact O-N 2.84Å; L190-A250 HydrophobicContact CB-CB 4.42Å; L190-A250 HydrophobicContact CD1-CB 3.9Å
191	T	87.9	Confident	94.6	Very high	10 Å²	10	45.1 Å²	45.1	6%	0.061	23%	0.233	C	C	.	.			trans	-109.4	16.5	-174.4	63.3	0	0	0	0	113.8	L186 L188 H193 L194 L199	L186-T191 HydrophobicContact CD1-CG2 4.39Å; L188-T191 WeakPolarHBondContact CA-OG1 3.26Å; L188-T191 PolarHBondContact O-N 2.8Å; L188-T191 PolarHBondContact O-OG1 3.23Å; L188-T191 VanDerWaalsContact O-OG1 3.09Å; T191-H193 PolarHBondContact O-N 3.3Å; T191-L194 HydrophobicContact CG2-CD1 4.26Å; T191-L194 WeakPolarHBondContact O-CB 3.5Å; T191-L194 PolarHBondContact O-N 3.1Å; T191-L199 HydrophobicContact CG2-CD1 4.05Å; T191-L199 WeakPolarHBondContact OG1-CD1 3.17Å
192	K	85.7	Confident	94.8	Very high	176 Å²	176	44.4 Å²	44.4	77%	0.765	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-18.4	-173.8	-67.2	-179.1	-175.6	-179.5	0	115.5	T189	T189-K192 WeakPolarHBondContact O-CE 3.3Å; T189-K192 WeakPolarHBondContact O-CG 3.37Å
193	H	91.2	Very high	95	Very high	132 Å²	132	43.4 Å²	43.4	61%	0.611	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-15.5	178.3	60.3	-82.2	0	0	0	113	T191	T191-H193 PolarHBondContact O-N 3.3Å
194	L	94.1	Very high	95.1	Very high	25 Å²	25	39.5 Å²	39.5	13%	0.131	20%	0.198	C	C	.	.	S	Bend	trans	-83	149	-177.1	-61.9	-178.2	0	0	0	111.9	T191 D198 Q202 W233	T191-L194 HydrophobicContact CG2-CD1 4.26Å; T191-L194 WeakPolarHBondContact O-CB 3.5Å; T191-L194 PolarHBondContact O-N 3.1Å; L194-D198 HydrophobicContact CB-CB 4.1Å; L194-D198 HydrophobicContact CD2-CB 4.24Å; L194-Q202 HydrophobicContact CD1-CG 4.43Å; L194-W233 HydrophobicContact CD2-CH2 3.94Å; L194-W233 HydrophobicContact CD2-CZ3 4.38Å
195	T	94.8	Very high	95.2	Very high	76 Å²	76	39.4 Å²	39.4	47%	0.466	20%	0.197	S	C	.	.			trans	-69.2	159.8	166	72	0	0	0	0	110.4	I197 D198 L199	T195-I197 PolarHBondContact O-N 2.9Å; T195-D198 PolarHBondContact O-N 3.01Å; T195-D198 VanDerWaalsContact O-N 3.12Å; T195-D198 PolarHBondContact OG1-N 2.96Å; T195-D198 VanDerWaalsContact OG1-N 3.14Å; T195-D198 PolarHBondContact OG1-OD2 2.98Å; T195-L199 WeakPolarHBondContact O-CB 3.36Å; T195-L199 PolarHBondContact O-N 2.77Å
196	E	94.3	Very high	95.2	Very high	89 Å²	89	36.9 Å²	36.9	42%	0.416	19%	0.185	S	C	.	.	H	α-helix	trans	-55.9	-35.5	174.6	-174.2	-178.1	165.9	0	0	112.2	F164 L166 L200	F164-E196 HydrophobicContact CE1-CG 4.04Å; F164-E196 HydrophobicContact CZ-CG 4.3Å; L166-E196 HydrophobicContact CD1-CG 4Å; E196-L200 WeakPolarHBondContact O-CB 3.33Å; E196-L200 PolarHBondContact O-N 2.93Å
197	I	95.8	Very high	95.2	Very high	25 Å²	25	37.1 Å²	37.1	13%	0.128	19%	0.187	C	C	.	.	H	α-helix	trans	-70.6	-40.4	178.1	-61.3	-57.4	0	0	0	111.7	M109 N113 T195 L199 L200 S201	M109-I197 HydrophobicContact CB-CG2 4.09Å; N113-I197 HydrophobicContact CB-CD1 3.6Å; N113-I197 VanDerWaalsContact ND2-CD1 3.32Å; N113-I197 WeakPolarHBondContact ND2-CD1 3.36Å; T195-I197 PolarHBondContact O-N 2.9Å; I197-L199 VanDerWaalsContact C-N 3.32Å; I197-L200 PolarHBondContact O-N 3.29Å; I197-S201 WeakPolarHBondContact O-CB 3.28Å; I197-S201 PolarHBondContact O-N 3.25Å
198	D	97.3	Very high	95.3	Very high	11 Å²	11	35.4 Å²	35.4	6%	0.059	18%	0.178	C	C	.	.	H	α-helix	trans	-68.2	-37.2	176.8	-65.6	-39.3	0	0	0	111.2	S104 D105 L194 T195 S201 Q202 W233	S104-D198 WeakPolarHBondContact CA-OD1 3.39Å; S104-D198 WeakPolarHBondContact CB-OD1 3.28Å; D105-D198 PolarHBondContact N-OD1 2.68Å; L194-D198 HydrophobicContact CB-CB 4.1Å; L194-D198 HydrophobicContact CD2-CB 4.24Å; T195-D198 PolarHBondContact O-N 3.01Å; T195-D198 VanDerWaalsContact O-N 3.12Å; T195-D198 PolarHBondContact OG1-N 2.96Å; T195-D198 VanDerWaalsContact OG1-N 3.14Å; T195-D198 PolarHBondContact OG1-OD2 2.98Å; D198-S201 VanDerWaalsContact O-CB 3.28Å; D198-S201 WeakPolarHBondContact O-CB 3.48Å; D198-S201 PolarHBondContact O-N 3.14Å; D198-Q202 PolarHBondContact O-N 3.09Å; D198-W233 HydrophobicContact CB-CH2 4.22Å; D198-W233 HydrophobicContact CB-CZ2 3.87Å
199	L	97	Very high	95.4	Very high	16 Å²	16	34.4 Å²	34.4	8%	0.084	17%	0.172	C	C	.	.	H	α-helix	trans	-65.6	-42.3	173	-173	61.3	0	0	0	111.7	F164 L166 L186 L188 T191 T195 I197 S201 Q202 A203	F164-L199 HydrophobicContact CE2-CB 4.3Å; F164-L199 HydrophobicContact CE2-CD2 4.2Å; F164-L199 HydrophobicContact CE2-CG 3.84Å; F164-L199 HydrophobicContact CZ-CB 4.2Å; F164-L199 HydrophobicContact CZ-CD2 4.14Å; F164-L199 HydrophobicContact CZ-CG 4.07Å; L166-L199 HydrophobicContact CD2-CD2 3.65Å; L186-L199 HydrophobicContact CD2-CD1 3.71Å; L188-L199 HydrophobicContact CD1-CD2 4.46Å; L188-L199 HydrophobicContact CD2-CD1 3.72Å; L188-L199 HydrophobicContact CD2-CD2 3.75Å; L188-L199 HydrophobicContact CD2-CG 4.15Å; T191-L199 HydrophobicContact CG2-CD1 4.05Å; T191-L199 WeakPolarHBondContact OG1-CD1 3.17Å; T195-L199 WeakPolarHBondContact O-CB 3.36Å; T195-L199 PolarHBondContact O-N 2.77Å; I197-L199 VanDerWaalsContact C-N 3.32Å; L199-S201 PolarHBondContact O-N 2.9Å; L199-Q202 PolarHBondContact O-N 2.91Å; L199-A203 WeakPolarHBondContact O-CB 3.26Å; L199-A203 PolarHBondContact O-N 2.61Å
200	L	97.6	Very high	95.6	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-60.8	-36.6	172.2	179.3	62	0	0	0	111.3	M109 L112 N113 T160 L161 F164 E196 I197 A203 N204	M109-L200 HydrophobicContact CB-CD2 4.43Å; M109-L200 HydrophobicContact SD-CG 4.23Å; L112-L200 HydrophobicContact CD2-CD2 4.38Å; N113-L200 HydrophobicContact CB-CD2 3.98Å; T160-L200 HydrophobicContact CG2-CD1 3.8Å; L161-L200 HydrophobicContact CD2-CD1 4.03Å; L161-L200 HydrophobicContact CD2-CD2 4.09Å; F164-L200 HydrophobicContact CB-CD1 4.05Å; F164-L200 HydrophobicContact CD1-CD1 3.91Å; F164-L200 HydrophobicContact CD2-CB 4.49Å; F164-L200 HydrophobicContact CD2-CD1 3.92Å; F164-L200 HydrophobicContact CE1-CB 4.11Å; F164-L200 HydrophobicContact CE1-CD1 4.3Å; F164-L200 VanDerWaalsContact CE2-CA 3.49Å; F164-L200 HydrophobicContact CE2-CB 4.03Å; F164-L200 HydrophobicContact CE2-CD1 4.3Å; F164-L200 HydrophobicContact CG-CD1 3.69Å; F164-L200 HydrophobicContact CZ-CB 3.81Å; F164-L200 HydrophobicContact CZ-CD1 4.48Å; E196-L200 WeakPolarHBondContact O-CB 3.33Å; E196-L200 PolarHBondContact O-N 2.93Å; I197-L200 PolarHBondContact O-N 3.29Å; L200-A203 PolarHBondContact O-N 3.25Å; L200-N204 VanDerWaalsContact O-CB 3.3Å; L200-N204 WeakPolarHBondContact O-CB 3.3Å; L200-N204 PolarHBondContact O-N 2.97Å
201	S	98.3	Very high	95.8	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-63.5	-44.5	174.5	-173.6	0	0	0	0	112.2	H103 I197 D198 L199 N204 V205 W233	H103-S201 WeakPolarHBondContact O-CB 3.28Å; H103-S201 PolarHBondContact O-OG 3.17Å; I197-S201 WeakPolarHBondContact O-CB 3.28Å; I197-S201 PolarHBondContact O-N 3.25Å; D198-S201 VanDerWaalsContact O-CB 3.28Å; D198-S201 WeakPolarHBondContact O-CB 3.48Å; D198-S201 PolarHBondContact O-N 3.14Å; L199-S201 PolarHBondContact O-N 2.9Å; S201-N204 WeakPolarHBondContact O-CB 3.4Å; S201-N204 PolarHBondContact O-N 3.37Å; S201-V205 PolarHBondContact O-N 3.13Å; S201-V205 VanDerWaalsContact O-N 3.15Å; S201-W233 PolarHBondContact OG-NE1 3.34Å
202	Q	98.3	Very high	96.1	Very high	4 Å²	4	27.4 Å²	27.4	2%	0.019	13%	0.133	C	C	.	.	H	α-helix	trans	-65	-45.3	173.9	-73.3	-169	1.4	0	0	112.4	L186 L194 D198 L199 N204 V205 L206 W233 F251	L186-Q202 HydrophobicContact CD2-CB 4.13Å; L194-Q202 HydrophobicContact CD1-CG 4.43Å; D198-Q202 PolarHBondContact O-N 3.09Å; L199-Q202 PolarHBondContact O-N 2.91Å; Q202-N204 PolarHBondContact O-N 3.42Å; Q202-V205 WeakPolarHBondContact O-CB 3.46Å; Q202-V205 PolarHBondContact O-N 3.29Å; Q202-V205 VanDerWaalsContact O-N 3.13Å; Q202-L206 PolarHBondContact O-N 2.99Å; Q202-W233 HydrophobicContact CG-CD2 3.88Å; Q202-W233 HydrophobicContact CG-CG 3.83Å; Q202-W233 HydrophobicContact CG-CZ2 4.39Å; Q202-F251 HydrophobicContact CB-CD2 3.9Å; Q202-F251 HydrophobicContact CB-CE2 3.7Å; Q202-F251 VanDerWaalsContact CD-CD2 3.44Å; Q202-F251 HydrophobicContact CG-CD2 3.75Å; Q202-F251 HydrophobicContact CG-CE2 3.93Å; Q202-F251 HydrophobicContact CG-CG 4.3Å
203	A	98	Very high	96.6	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-56.1	-39.8	173.1	0	0	0	0	0	111.9	T160 F164 L171 F173 L199 L200 L206 Q207	T160-A203 HydrophobicContact CG2-CB 4.33Å; F164-A203 HydrophobicContact CD2-CB 3.64Å; F164-A203 HydrophobicContact CE2-CB 4Å; L171-A203 HydrophobicContact CD1-CB 4.19Å; F173-A203 HydrophobicContact CE1-CB 4.38Å; F173-A203 WeakPolarHBondContact CE1-O 3.3Å; F173-A203 HydrophobicContact CZ-CB 3.67Å; L199-A203 WeakPolarHBondContact O-CB 3.26Å; L199-A203 PolarHBondContact O-N 2.61Å; L200-A203 PolarHBondContact O-N 3.25Å; A203-L206 PolarHBondContact O-N 3.04Å; A203-Q207 PolarHBondContact O-N 3.23Å
204	N	98.5	Very high	96.6	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-61.4	-45.4	176.4	-170.6	51.1	0	0	0	111.6	G63 F65 M109 T160 L200 S201 Q202 L206 Q207 Q208	G63-N204 PolarHBondContact O-ND2 3.26Å; F65-N204 VanDerWaalsContact CE1-OD1 3.26Å; F65-N204 WeakPolarHBondContact CE1-OD1 3.41Å; M109-N204 HydrophobicContact CE-CB 4.28Å; M109-N204 WeakPolarHBondContact CE-ND2 3.43Å; M109-N204 HydrophobicContact SD-CB 3.56Å; M109-N204 VanDerWaalsContact SD-CB 3.56Å; T160-N204 VanDerWaalsContact CG2-CA 3.47Å; T160-N204 HydrophobicContact CG2-CB 3.82Å; T160-N204 PolarHBondContact OG1-OD1 2.86Å; L200-N204 VanDerWaalsContact O-CB 3.3Å; L200-N204 WeakPolarHBondContact O-CB 3.3Å; L200-N204 PolarHBondContact O-N 2.97Å; S201-N204 WeakPolarHBondContact O-CB 3.4Å; S201-N204 PolarHBondContact O-N 3.37Å; Q202-N204 PolarHBondContact O-N 3.42Å; N204-L206 VanDerWaalsContact C-N 3.28Å; N204-L206 PolarHBondContact O-N 3.2Å; N204-Q207 PolarHBondContact O-N 2.91Å; N204-Q207 VanDerWaalsContact O-N 3.13Å; N204-Q208 VanDerWaalsContact O-CG 3.23Å; N204-Q208 WeakPolarHBondContact O-CG 3.27Å; N204-Q208 PolarHBondContact O-N 3.26Å; N204-Q208 PolarHBondContact OD1-NE2 3.28Å
205	V	98.7	Very high	96.6	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-53.2	-47.8	176.2	174.2	0	0	0	0	110.7	I100 G102 S201 Q202 Q207 Q208 M209 F251	I100-V205 HydrophobicContact CB-CG1 4.18Å; I100-V205 HydrophobicContact CG2-CB 4.47Å; I100-V205 HydrophobicContact CG2-CG1 4.05Å; G102-V205 VanDerWaalsContact CA-CG2 3.49Å; S201-V205 PolarHBondContact O-N 3.13Å; S201-V205 VanDerWaalsContact O-N 3.15Å; Q202-V205 WeakPolarHBondContact O-CB 3.46Å; Q202-V205 PolarHBondContact O-N 3.29Å; Q202-V205 VanDerWaalsContact O-N 3.13Å; V205-Q207 PolarHBondContact O-N 3.38Å; V205-Q208 PolarHBondContact O-N 2.96Å; V205-M209 HydrophobicContact CG1-CG 4.43Å; V205-M209 HydrophobicContact CG1-SD 4.14Å; V205-M209 VanDerWaalsContact O-CG 3.26Å; V205-M209 WeakPolarHBondContact O-CG 3.45Å; V205-M209 PolarHBondContact O-N 3.28Å; V205-F251 HydrophobicContact CB-CZ 3.89Å; V205-F251 HydrophobicContact CG1-CE1 4.17Å; V205-F251 HydrophobicContact CG1-CZ 3.74Å; V205-F251 HydrophobicContact CG2-CZ 4.49Å
206	L	98.3	Very high	96.5	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-63.8	-42	179.2	-56.2	-170	0	0	0	112.4	F173 L184 L186 Q202 A203 N204 Q208 M209 I210 Y244 F251	F173-L206 HydrophobicContact CD1-CB 4.49Å; F173-L206 HydrophobicContact CD2-CB 3.75Å; F173-L206 HydrophobicContact CD2-CD1 3.86Å; F173-L206 HydrophobicContact CD2-CG 4.45Å; F173-L206 HydrophobicContact CE2-CB 4.06Å; F173-L206 HydrophobicContact CE2-CD1 3.9Å; F173-L206 HydrophobicContact CG-CB 4.01Å; L184-L206 HydrophobicContact CB-CB 4.45Å; L184-L206 HydrophobicContact CB-CD1 4.42Å; L184-L206 HydrophobicContact CD1-CB 4.34Å; L184-L206 HydrophobicContact CD1-CD2 4.38Å; L186-L206 HydrophobicContact CB-CD1 3.93Å; Q202-L206 PolarHBondContact O-N 2.99Å; A203-L206 PolarHBondContact O-N 3.04Å; N204-L206 VanDerWaalsContact C-N 3.28Å; N204-L206 PolarHBondContact O-N 3.2Å; L206-Q208 VanDerWaalsContact C-N 3.33Å; L206-Q208 PolarHBondContact O-N 3.4Å; L206-M209 HydrophobicContact CD2-SD 3.77Å; L206-M209 WeakPolarHBondContact O-CB 3.12Å; L206-M209 PolarHBondContact O-N 3.32Å; L206-I210 WeakPolarHBondContact O-CG1 3.23Å; L206-I210 PolarHBondContact O-N 3.42Å; L206-Y244 HydrophobicContact CD1-CD2 4.32Å; L206-Y244 HydrophobicContact CD1-CE2 3.76Å; L206-Y244 HydrophobicContact CD2-CD1 3.78Å; L206-Y244 HydrophobicContact CD2-CD2 3.54Å; L206-Y244 HydrophobicContact CD2-CE1 3.93Å; L206-Y244 HydrophobicContact CD2-CE2 3.68Å; L206-Y244 HydrophobicContact CD2-CG 3.57Å; L206-Y244 HydrophobicContact CG-CE2 4.37Å; L206-F251 HydrophobicContact CD2-CE2 4.11Å; L206-F251 HydrophobicContact CD2-CZ 4.09Å; L206-F251 HydrophobicContact CG-CE2 4.4Å
207	Q	97.4	Very high	96.4	Very high	6 Å²	6	13.6 Å²	13.6	3%	0.028	7%	0.066	C	C	.	.	H	α-helix	trans	-61.5	-41.2	175.5	-177	57.5	61.7	0	0	112	K159 T160 N163 F173 A203 N204 V205 I210 N211	K159-Q207 HydrophobicContact CB-CG 4.4Å; K159-Q207 HydrophobicContact CG-CG 4.4Å; T160-Q207 WeakPolarHBondContact OG1-CB 3.33Å; T160-Q207 WeakPolarHBondContact OG1-CG 3.41Å; N163-Q207 PolarHBondContact ND2-OE1 3.42Å; F173-Q207 HydrophobicContact CD1-CB 3.96Å; F173-Q207 HydrophobicContact CE1-CB 4.15Å; A203-Q207 PolarHBondContact O-N 3.23Å; N204-Q207 PolarHBondContact O-N 2.91Å; N204-Q207 VanDerWaalsContact O-N 3.13Å; V205-Q207 PolarHBondContact O-N 3.38Å; Q207-I210 WeakPolarHBondContact O-CB 3.48Å; Q207-I210 PolarHBondContact O-N 2.95Å; Q207-N211 PolarHBondContact NE2-OD1 3.39Å; Q207-N211 VanDerWaalsContact O-CG 3.28Å; Q207-N211 PolarHBondContact O-N 2.83Å; Q207-N211 PolarHBondContact O-OD1 3.19Å
208	Q	97.9	Very high	96.4	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-70.8	-33.5	178.6	-57.3	-35.6	-58.8	0	0	112	F65 V66 I100 N204 V205 L206 I210 N211 V212	F65-Q208 HydrophobicContact CD1-CG 4.37Å; V66-Q208 HydrophobicContact CB-CB 4.27Å; V66-Q208 HydrophobicContact CG2-CB 4.34Å; V66-Q208 PolarHBondContact O-OE1 3.04Å; I100-Q208 HydrophobicContact CG2-CB 3.74Å; I100-Q208 HydrophobicContact CG2-CG 4.45Å; N204-Q208 VanDerWaalsContact O-CG 3.23Å; N204-Q208 WeakPolarHBondContact O-CG 3.27Å; N204-Q208 PolarHBondContact O-N 3.26Å; N204-Q208 PolarHBondContact OD1-NE2 3.28Å; V205-Q208 PolarHBondContact O-N 2.96Å; L206-Q208 VanDerWaalsContact C-N 3.33Å; L206-Q208 PolarHBondContact O-N 3.4Å; Q208-I210 VanDerWaalsContact C-N 3.3Å; Q208-I210 PolarHBondContact O-N 3.2Å; Q208-N211 WeakPolarHBondContact O-CB 3.29Å; Q208-N211 PolarHBondContact O-N 2.04Å; Q208-N211 VanDerWaalsContact O-N 3.14Å; Q208-N211 PolarHBondContact OE1-ND2 3.11Å; Q208-V212 PolarHBondContact O-N 2.74Å
209	M	97.9	Very high	96.1	Very high	3 Å²	3	14.4 Å²	14.4	2%	0.015	7%	0.072	C	C	.	.	H	α-helix	trans	-58.7	-43.9	169.5	-68.1	168.8	68.7	0	0	110.9	I100 L184 V205 L206 N211 V212 Y213 V229 G231 Y244	I100-M209 HydrophobicContact CB-CG 4.22Å; I100-M209 HydrophobicContact CG1-CG 3.92Å; L184-M209 HydrophobicContact CD1-CB 3.8Å; L184-M209 HydrophobicContact CD1-CE 3.85Å; L184-M209 HydrophobicContact CD1-SD 4.05Å; V205-M209 HydrophobicContact CG1-CG 4.43Å; V205-M209 HydrophobicContact CG1-SD 4.14Å; V205-M209 VanDerWaalsContact O-CG 3.26Å; V205-M209 WeakPolarHBondContact O-CG 3.45Å; V205-M209 PolarHBondContact O-N 3.28Å; L206-M209 HydrophobicContact CD2-SD 3.77Å; L206-M209 WeakPolarHBondContact O-CB 3.12Å; L206-M209 PolarHBondContact O-N 3.32Å; M209-N211 VanDerWaalsContact C-N 3.31Å; M209-N211 PolarHBondContact O-N 3.24Å; M209-V212 WeakPolarHBondContact O-CB 3.46Å; M209-V212 PolarHBondContact O-N 3.38Å; M209-Y213 VanDerWaalsContact O-CD2 3.29Å; M209-Y213 WeakPolarHBondContact O-CD2 3.16Å; M209-V229 HydrophobicContact CB-CG1 3.82Å; M209-V229 HydrophobicContact CE-CG1 4.46Å; M209-V229 WeakPolarHBondContact CE-O 3.1Å; M209-V229 HydrophobicContact CG-CG1 3.93Å; M209-G231 WeakPolarHBondContact SD-CA 3.4Å; M209-G231 PolarHBondContact SD-N 3.31Å; M209-Y244 HydrophobicContact CE-CD1 4.24Å
210	I	96.2	Very high	96	Very high	3 Å²	3	19 Å²	19	2%	0.015	10%	0.097	C	C	.	.	H	α-helix	trans	-61.7	-39.5	174.1	-65.7	-62.8	0	0	0	111.4	F173 S175 P182 L184 L206 Q207 Q208 V212 Y213	F173-I210 HydrophobicContact CB-CG1 3.92Å; S175-I210 VanDerWaalsContact CB-CG2 3.47Å; P182-I210 VanDerWaalsContact O-CD1 3.25Å; P182-I210 WeakPolarHBondContact O-CD1 3.1Å; L184-I210 HydrophobicContact CD1-CD1 3.97Å; L184-I210 HydrophobicContact CD1-CG1 4.13Å; L184-I210 HydrophobicContact CG-CD1 3.97Å; L206-I210 WeakPolarHBondContact O-CG1 3.23Å; L206-I210 PolarHBondContact O-N 3.42Å; Q207-I210 WeakPolarHBondContact O-CB 3.48Å; Q207-I210 PolarHBondContact O-N 2.95Å; Q208-I210 VanDerWaalsContact C-N 3.3Å; Q208-I210 PolarHBondContact O-N 3.2Å; I210-V212 VanDerWaalsContact C-N 3.27Å; I210-V212 PolarHBondContact O-N 3.21Å; I210-Y213 WeakPolarHBondContact O-CB 3.37Å; I210-Y213 PolarHBondContact O-N 2.84Å; I210-Y213 VanDerWaalsContact O-N 3.08Å
211	N	95.4	Very high	95.9	Very high	10 Å²	10	21.2 Å²	21.2	5%	0.053	11%	0.107	C	C	.	.	H	α-helix	trans	-63.3	-30.2	179.6	-66.5	-5.9	0	0	0	112.7	V66 Q207 Q208 M209 Y213 S214 Y215	V66-N211 HydrophobicContact CB-CB 4.18Å; V66-N211 HydrophobicContact CG1-CB 3.96Å; V66-N211 WeakPolarHBondContact O-CB 2.89Å; V66-N211 PolarHBondContact O-ND2 2.74Å; Q207-N211 PolarHBondContact NE2-OD1 3.39Å; Q207-N211 VanDerWaalsContact O-CG 3.28Å; Q207-N211 PolarHBondContact O-N 2.83Å; Q207-N211 PolarHBondContact O-OD1 3.19Å; Q208-N211 WeakPolarHBondContact O-CB 3.29Å; Q208-N211 PolarHBondContact O-N 2.04Å; Q208-N211 VanDerWaalsContact O-N 3.14Å; Q208-N211 PolarHBondContact OE1-ND2 3.11Å; M209-N211 VanDerWaalsContact C-N 3.31Å; M209-N211 PolarHBondContact O-N 3.24Å; N211-Y213 PolarHBondContact O-N 3.41Å; N211-S214 VanDerWaalsContact O-CB 3.26Å; N211-S214 WeakPolarHBondContact O-CB 3.3Å; N211-S214 PolarHBondContact O-N 3.03Å; N211-S214 PolarHBondContact O-OG 2.91Å; N211-Y215 WeakPolarHBondContact O-CD2 3.3Å
212	V	96	Very high	95.7	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-57.3	-39.5	173.1	177	0	0	0	0	111.3	V66 I98 I100 Q208 M209 I210 S214 Y215 L218 L227 V229	V66-V212 HydrophobicContact CG1-CG2 4.06Å; V66-V212 HydrophobicContact CG2-CG2 4.28Å; I98-V212 HydrophobicContact CD1-CG2 4.22Å; I98-V212 HydrophobicContact CG2-CG1 4.28Å; I100-V212 HydrophobicContact CD1-CG2 4.14Å; Q208-V212 PolarHBondContact O-N 2.74Å; M209-V212 WeakPolarHBondContact O-CB 3.46Å; M209-V212 PolarHBondContact O-N 3.38Å; I210-V212 VanDerWaalsContact C-N 3.27Å; I210-V212 PolarHBondContact O-N 3.21Å; V212-S214 PolarHBondContact O-N 3.45Å; V212-Y215 PolarHBondContact O-N 3.22Å; V212-L218 HydrophobicContact CG1-CD1 3.98Å; V212-L227 HydrophobicContact CG1-CD2 4.49Å; V212-V229 HydrophobicContact CB-CG1 4.31Å; V212-V229 HydrophobicContact CB-CG2 4.25Å; V212-V229 HydrophobicContact CG1-CG2 3.81Å; V212-V229 HydrophobicContact CG2-CG1 4.21Å
213	Y	95.1	Very high	95.4	Very high	19 Å²	19	23.6 Å²	23.6	8%	0.075	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-6.4	177.3	-68.3	-101.7	0	0	0	113.3	H178 K180 C181 P182 M209 I210 N211 Y215 L222 V229	H178-Y213 VanDerWaalsContact CB-O 3.25Å; H178-Y213 WeakPolarHBondContact CB-O 3.36Å; K180-Y213 WeakPolarHBondContact O-CE1 3.34Å; C181-Y213 HydrophobicContact CB-CD1 3.99Å; C181-Y213 HydrophobicContact CB-CG 4.02Å; P182-Y213 VanDerWaalsContact CD-CZ 3.45Å; P182-Y213 HydrophobicContact CG-CE2 4.31Å; M209-Y213 VanDerWaalsContact O-CD2 3.29Å; M209-Y213 WeakPolarHBondContact O-CD2 3.16Å; I210-Y213 WeakPolarHBondContact O-CB 3.37Å; I210-Y213 PolarHBondContact O-N 2.84Å; I210-Y213 VanDerWaalsContact O-N 3.08Å; N211-Y213 PolarHBondContact O-N 3.41Å; Y213-Y215 VanDerWaalsContact C-N 3.33Å; Y213-L222 HydrophobicContact CD1-CD1 4Å; Y213-L222 HydrophobicContact CD1-CD2 3.75Å; Y213-L222 HydrophobicContact CD1-CG 4.4Å; Y213-L222 HydrophobicContact CE1-CD2 3.63Å; Y213-L222 HydrophobicContact CG-CD1 4.4Å; Y213-L222 HydrophobicContact CG-CD2 4.41Å; Y213-V229 HydrophobicContact CD2-CG2 4.39Å; Y213-V229 HydrophobicContact CE2-CB 3.94Å; Y213-V229 HydrophobicContact CE2-CG1 4.4Å; Y213-V229 HydrophobicContact CE2-CG2 3.61Å
214	S	92.1	Very high	95.2	Very high	3 Å²	3	30.2 Å²	30.2	2%	0.021	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-16.9	176.9	76.6	0	0	0	0	113.5	E69 N211 V212 E216	E69-S214 PolarHBondContact N-OG 3.1Å; E69-S214 VanDerWaalsContact N-OG 3.14Å; N211-S214 VanDerWaalsContact O-CB 3.26Å; N211-S214 WeakPolarHBondContact O-CB 3.3Å; N211-S214 PolarHBondContact O-N 3.03Å; N211-S214 PolarHBondContact O-OG 2.91Å; V212-S214 PolarHBondContact O-N 3.45Å; S214-E216 PolarHBondContact O-N 3.01Å
215	Y	93.2	Very high	94.8	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.008	19%	0.186	C	C	.	.			trans	-80.1	114	-174.2	-77.6	-89.6	0	0	0	112.5	V66 C67 E69 P83 L86 N211 V212 Y213 M217 L218	V66-Y215 HydrophobicContact CG1-CE2 3.67Å; C67-Y215 WeakPolarHBondContact O-CE2 3.45Å; C67-Y215 PolarHBondContact O-OH 3.37Å; E69-Y215 HydrophobicContact CB-CD1 4.36Å; E69-Y215 VanDerWaalsContact OE2-CA 3.24Å; E69-Y215 WeakPolarHBondContact OE2-CA 3.34Å; P83-Y215 HydrophobicContact CB-CE1 3.89Å; P83-Y215 HydrophobicContact CG-CE1 3.87Å; L86-Y215 HydrophobicContact CD1-CD1 4Å; L86-Y215 HydrophobicContact CD1-CD2 3.55Å; L86-Y215 HydrophobicContact CD1-CE1 3.88Å; L86-Y215 HydrophobicContact CD1-CE2 3.43Å; L86-Y215 VanDerWaalsContact CD1-CE2 3.43Å; L86-Y215 HydrophobicContact CD1-CG 3.82Å; N211-Y215 WeakPolarHBondContact O-CD2 3.3Å; V212-Y215 PolarHBondContact O-N 3.22Å; Y213-Y215 VanDerWaalsContact C-N 3.33Å; Y215-M217 VanDerWaalsContact C-N 3.26Å; Y215-M217 HydrophobicContact CD1-CE 4.35Å; Y215-M217 PolarHBondContact O-N 2.88Å; Y215-L218 PolarHBondContact O-N 3.46Å; Y215-L218 VanDerWaalsContact O-N 3.09Å
216	E	92.2	Very high	94.6	Very high	119 Å²	119	38.1 Å²	38.1	56%	0.556	20%	0.202	S	C	*	.	G	3₁₀ helix	trans	-61.1	-36.2	-177.8	-173.6	167.2	152.6	0	0	112.1	E69 K70 S214 L218 T219	E69-E216 PolarHBondContact OE2-N 2.99Å; K70-E216 IonicContact NZ-OE2 3.69Å; S214-E216 PolarHBondContact O-N 3.01Å; E216-L218 PolarHBondContact O-N 3.09Å; E216-T219 VanDerWaalsContact O-CB 3.25Å; E216-T219 WeakPolarHBondContact O-CB 3.33Å; E216-T219 PolarHBondContact O-N 2.88Å; E216-T219 PolarHBondContact O-OG1 3.45Å
217	M	93.4	Very high	94.5	Very high	65 Å²	65	38.5 Å²	38.5	32%	0.32	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-59.6	-21.9	178.2	73.7	175	72	0	0	113.7	P83 E87 L91 Y215	P83-M217 HydrophobicContact CB-CE 4.33Å; E87-M217 HydrophobicContact CB-SD 3.93Å; E87-M217 HydrophobicContact CG-SD 4.49Å; L91-M217 HydrophobicContact CD1-CB 3.9Å; L91-M217 HydrophobicContact CD1-CG 3.98Å; L91-M217 HydrophobicContact CD1-SD 4.04Å; Y215-M217 VanDerWaalsContact C-N 3.26Å; Y215-M217 HydrophobicContact CD1-CE 4.35Å; Y215-M217 PolarHBondContact O-N 2.88Å
218	L	94.8	Very high	94.4	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-95.5	-2.3	-179.1	-55.6	-178.7	0	0	0	113.1	L86 L90 L91 V212 Y215 E216 N220 Q221 L222 L227	L86-L218 HydrophobicContact CD1-CD1 4.38Å; L90-L218 HydrophobicContact CB-CD2 3.81Å; L90-L218 HydrophobicContact CD1-CD1 3.72Å; L90-L218 HydrophobicContact CD1-CD2 3.89Å; L90-L218 HydrophobicContact CD1-CG 4.48Å; L90-L218 HydrophobicContact CG-CD2 4.46Å; L91-L218 HydrophobicContact CD2-CD2 3.97Å; L91-L218 HydrophobicContact CG-CD2 4.1Å; V212-L218 HydrophobicContact CG1-CD1 3.98Å; Y215-L218 PolarHBondContact O-N 3.46Å; Y215-L218 VanDerWaalsContact O-N 3.09Å; E216-L218 PolarHBondContact O-N 3.09Å; L218-N220 VanDerWaalsContact C-N 3.26Å; L218-N220 PolarHBondContact O-N 2.89Å; L218-N220 VanDerWaalsContact O-N 3.16Å; L218-Q221 PolarHBondContact O-N 3.06Å; L218-Q221 VanDerWaalsContact O-N 3.17Å; L218-L222 HydrophobicContact CB-CD1 3.97Å; L218-L222 HydrophobicContact CB-CG 4.25Å; L218-L222 WeakPolarHBondContact O-CB 3.29Å; L218-L222 WeakPolarHBondContact O-CG 3.45Å; L218-L222 PolarHBondContact O-N 3.32Å; L218-L227 HydrophobicContact CB-CD2 4.25Å; L218-L227 HydrophobicContact CD1-CD2 3.95Å; L218-L227 HydrophobicContact CG-CD2 4.48Å
219	T	92.7	Very high	94.4	Very high	52 Å²	52	42.8 Å²	42.8	32%	0.319	22%	0.22	S	C	.	.	H	α-helix	trans	-52	-42.6	-173.2	-61.4	0	0	0	0	112.5	H178 E216 A223	H178-T219 PolarHBondContact NE2-O 2.64Å; E216-T219 VanDerWaalsContact O-CB 3.25Å; E216-T219 WeakPolarHBondContact O-CB 3.33Å; E216-T219 PolarHBondContact O-N 2.88Å; E216-T219 PolarHBondContact O-OG1 3.45Å; T219-A223 WeakPolarHBondContact O-CB 3.4Å; T219-A223 PolarHBondContact O-N 2.95Å
220	N	93.8	Very high	94.4	Very high	112 Å²	112	43.8 Å²	43.8	60%	0.599	23%	0.225	S	C	*	.	H	α-helix	trans	-66.7	-47.6	-178.3	-72	-25.6	0	0	0	112.2	L218 L222 A223 Q224	L218-N220 VanDerWaalsContact C-N 3.26Å; L218-N220 PolarHBondContact O-N 2.89Å; L218-N220 VanDerWaalsContact O-N 3.16Å; N220-L222 VanDerWaalsContact C-N 3.33Å; N220-L222 PolarHBondContact O-N 3Å; N220-A223 PolarHBondContact O-N 3.39Å; N220-Q224 WeakPolarHBondContact O-CB 3.34Å; N220-Q224 VanDerWaalsContact O-CG 3.3Å; N220-Q224 WeakPolarHBondContact O-CG 3.42Å; N220-Q224 PolarHBondContact O-N 3.02Å
221	Q	94.7	Very high	94.5	Very high	47 Å²	47	43.7 Å²	43.7	22%	0.22	23%	0.225	C	C	.	.	H	α-helix	trans	-65.4	-38.1	180	-71.1	71.3	13	0	0	111.3	L91 L218 N225 V226 L227	L91-Q221 VanDerWaalsContact CD2-CD 3.41Å; L91-Q221 HydrophobicContact CD2-CG 4.34Å; L91-Q221 VanDerWaalsContact CD2-NE2 3.3Å; L218-Q221 PolarHBondContact O-N 3.06Å; L218-Q221 VanDerWaalsContact O-N 3.17Å; Q221-N225 PolarHBondContact O-N 3.24Å; Q221-V226 PolarHBondContact O-N 3Å; Q221-L227 HydrophobicContact CB-CB 3.89Å; Q221-L227 PolarHBondContact O-N 3.29Å
222	L	94.1	Very high	94.6	Very high	4 Å²	4	43.4 Å²	43.4	2%	0.021	22%	0.223	C	C	.	.	H	α-helix	trans	-68.2	-43.6	174.8	-68.8	171	0	0	0	111.8	Y213 L218 N220 Q224 N225 L227	Y213-L222 HydrophobicContact CD1-CD1 4Å; Y213-L222 HydrophobicContact CD1-CD2 3.75Å; Y213-L222 HydrophobicContact CD1-CG 4.4Å; Y213-L222 HydrophobicContact CE1-CD2 3.63Å; Y213-L222 HydrophobicContact CG-CD1 4.4Å; Y213-L222 HydrophobicContact CG-CD2 4.41Å; L218-L222 HydrophobicContact CB-CD1 3.97Å; L218-L222 HydrophobicContact CB-CG 4.25Å; L218-L222 WeakPolarHBondContact O-CB 3.29Å; L218-L222 WeakPolarHBondContact O-CG 3.45Å; L218-L222 PolarHBondContact O-N 3.32Å; N220-L222 VanDerWaalsContact C-N 3.33Å; N220-L222 PolarHBondContact O-N 3Å; L222-Q224 VanDerWaalsContact C-N 3.31Å; L222-Q224 PolarHBondContact O-N 3.25Å; L222-N225 PolarHBondContact O-N 3.23Å; L222-L227 HydrophobicContact CD2-CB 4.2Å; L222-L227 HydrophobicContact CD2-CD2 3.74Å; L222-L227 HydrophobicContact CD2-CG 4.1Å; L222-L227 HydrophobicContact CG-CD2 4.09Å
223	A	93.2	Very high	94.8	Very high	50 Å²	50	43.4 Å²	43.4	41%	0.413	22%	0.223	S	C	.	.	H	α-helix	trans	-63.8	-35.5	179	0	0	0	0	0	112.8	T219 N220 N225	T219-A223 WeakPolarHBondContact O-CB 3.4Å; T219-A223 PolarHBondContact O-N 2.95Å; N220-A223 PolarHBondContact O-N 3.39Å; A223-N225 VanDerWaalsContact C-N 3.26Å; A223-N225 PolarHBondContact O-N 3.38Å
224	Q	93.7	Very high	94.9	Very high	139 Å²	139	43.6 Å²	43.6	65%	0.65	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-0.4	177.8	-66.7	175	0.6	0	0	113.6	N220 L222 V226	N220-Q224 WeakPolarHBondContact O-CB 3.34Å; N220-Q224 VanDerWaalsContact O-CG 3.3Å; N220-Q224 WeakPolarHBondContact O-CG 3.42Å; N220-Q224 PolarHBondContact O-N 3.02Å; L222-Q224 VanDerWaalsContact C-N 3.31Å; L222-Q224 PolarHBondContact O-N 3.25Å; Q224-V226 HydrophobicContact CB-CG2 3.78Å; Q224-V226 PolarHBondContact O-N 3.44Å
225	N	90.2	Very high	95.1	Very high	112 Å²	112	45 Å²	45	60%	0.599	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.9	29.8	-172.3	-49.5	-46.6	0	0	0	113.4	Q221 L222 A223	Q221-N225 PolarHBondContact O-N 3.24Å; L222-N225 PolarHBondContact O-N 3.23Å; A223-N225 VanDerWaalsContact C-N 3.26Å; A223-N225 PolarHBondContact O-N 3.38Å
226	V	93.8	Very high	95	Very high	54 Å²	54	46.8 Å²	46.8	33%	0.327	24%	0.238	S	C	.	.			trans	-84.4	-38.7	177.5	173	0	0	0	0	110.2	N96 Q221 Q224	N96-V226 WeakPolarHBondContact CB-O 3.4Å; N96-V226 WeakPolarHBondContact OD1-CG1 3.41Å; Q221-V226 PolarHBondContact O-N 3Å; Q224-V226 HydrophobicContact CB-CG2 3.78Å; Q224-V226 PolarHBondContact O-N 3.44Å
227	L	96.5	Very high	94.9	Very high	9 Å²	9	49.8 Å²	49.8	5%	0.047	25%	0.246	C	C	.	.			trans	-86	121.3	177.1	177.7	62.4	0	0	0	111.1	L90 N96 I98 V212 L218 Q221 L222	L90-L227 HydrophobicContact CD1-CD1 3.87Å; L90-L227 HydrophobicContact CD1-CD2 3.82Å; L90-L227 HydrophobicContact CD2-CD1 3.85Å; L90-L227 HydrophobicContact CG-CD1 4.32Å; N96-L227 CarbonylContact O-C 3.58Å; N96-L227 WeakPolarHBondContact O-CA 3.5Å; I98-L227 HydrophobicContact CG2-CD1 3.99Å; V212-L227 HydrophobicContact CG1-CD2 4.49Å; L218-L227 HydrophobicContact CB-CD2 4.25Å; L218-L227 HydrophobicContact CD1-CD2 3.95Å; L218-L227 HydrophobicContact CG-CD2 4.48Å; Q221-L227 HydrophobicContact CB-CB 3.89Å; Q221-L227 PolarHBondContact O-N 3.29Å; L222-L227 HydrophobicContact CD2-CB 4.2Å; L222-L227 HydrophobicContact CD2-CD2 3.74Å; L222-L227 HydrophobicContact CD2-CG 4.1Å; L222-L227 HydrophobicContact CG-CD2 4.09Å
228	R	95.9	Very high	94.8	Very high	92 Å²	92	49.5 Å²	49.5	35%	0.347	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	131.5	175.4	-63	178.6	-70	-123.5	-0.5	110.2	N96 D97 I98 H230 L266	N96-R228 PolarHBondContact O-N 3.44Å; D97-R228 IonicContact OD1-CZ 3.41Å; D97-R228 IonicContact OD1-NE 2.75Å; D97-R228 PolarHBondContact OD1-NE 2.89Å; D97-R228 IonicContact OD1-NH2 3.25Å; D97-R228 PolarHBondContact OD1-NH2 3.29Å; D97-R228 IonicContact OD2-CZ 3.62Å; D97-R228 IonicContact OD2-NE 3.7Å; D97-R228 IonicContact OD2-NH2 2.71Å; D97-R228 PolarHBondContact OD2-NH2 3.47Å; I98-R228 WeakPolarHBondContact CG2-O 3.28Å; I98-R228 PolarHBondContact N-O 3.29Å; R228-H230 WeakPolarHBondContact CB-NE2 3.25Å; R228-L266 WeakPolarHBondContact CD-O 3.43Å
229	V	97.4	Very high	94.7	Very high	4 Å²	4	51.6 Å²	51.6	2%	0.024	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	118.4	-178.8	-174.5	0	0	0	0	109	I98 M209 V212 Y213	I98-V229 HydrophobicContact CG2-CB 4.14Å; I98-V229 HydrophobicContact CG2-CG1 4.16Å; I98-V229 HydrophobicContact CG2-CG2 3.77Å; M209-V229 HydrophobicContact CB-CG1 3.82Å; M209-V229 HydrophobicContact CE-CG1 4.46Å; M209-V229 WeakPolarHBondContact CE-O 3.1Å; M209-V229 HydrophobicContact CG-CG1 3.93Å; V212-V229 HydrophobicContact CB-CG1 4.31Å; V212-V229 HydrophobicContact CB-CG2 4.25Å; V212-V229 HydrophobicContact CG1-CG2 3.81Å; V212-V229 HydrophobicContact CG2-CG1 4.21Å; Y213-V229 HydrophobicContact CD2-CG2 4.39Å; Y213-V229 HydrophobicContact CE2-CB 3.94Å; Y213-V229 HydrophobicContact CE2-CG1 4.4Å; Y213-V229 HydrophobicContact CE2-CG2 3.61Å
230	H	98	Very high	94.9	Very high	24 Å²	24	52.5 Å²	52.5	11%	0.111	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	139.3	-173.4	-54.6	-65.8	0	0	0	111.2	D97 I98 I99 I100 R228 L243 L266	D97-H230 IonicContact OD1-CD2 3.7Å; D97-H230 IonicContact OD1-CE1 3.74Å; D97-H230 IonicContact OD1-NE2 2.76Å; D97-H230 PolarHBondContact OD1-NE2 2.94Å; I98-H230 PolarHBondContact O-N 3.33Å; I99-H230 WeakPolarHBondContact CA-O 3.41Å; I99-H230 HydrophobicContact CG1-CB 4.12Å; I100-H230 PolarHBondContact N-O 2.9Å; R228-H230 WeakPolarHBondContact CB-NE2 3.25Å; H230-L243 HydrophobicContact CB-CD1 4.48Å; H230-L266 WeakPolarHBondContact CE1-CD2 3.08Å; H230-L266 WeakPolarHBondContact ND1-CD2 3.37Å
231	G	98.4	Very high	95	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.01	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	118.8	171.7	0	0	0	0	0	110	M209 L243 Y244	M209-G231 WeakPolarHBondContact SD-CA 3.4Å; M209-G231 PolarHBondContact SD-N 3.31Å; G231-L243 WeakPolarHBondContact O-CD1 3.29Å; G231-Y244 PolarHBondContact O-N 3.45Å
232	M	98.4	Very high	95.2	Very high	4 Å²	4	47 Å²	47	2%	0.02	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	144.5	174.8	-173.1	174.1	76.6	0	0	109.8	L49 I99 I100 C101 G102 V241 L242	L49-M232 HydrophobicContact CD1-CE 4.45Å; L49-M232 HydrophobicContact CD2-CE 4.33Å; L49-M232 HydrophobicContact CD2-SD 3.72Å; L49-M232 HydrophobicContact CG-CE 4.37Å; L49-M232 HydrophobicContact CG-SD 4.39Å; I99-M232 HydrophobicContact CG2-CB 3.54Å; I99-M232 HydrophobicContact CG2-CE 4.28Å; I99-M232 HydrophobicContact CG2-SD 4.35Å; I100-M232 PolarHBondContact O-N 2.86Å; I100-M232 VanDerWaalsContact O-O 3.08Å; C101-M232 CarbonylContact C-O 3.57Å; C101-M232 WeakPolarHBondContact CA-O 3.44Å; C101-M232 HydrophobicContact CB-CE 3.79Å; C101-M232 WeakPolarHBondContact SG-CE 3.35Å; G102-M232 PolarHBondContact N-O 3.33Å; M232-V241 HydrophobicContact CG-CG1 3.62Å; M232-V241 HydrophobicContact SD-CG1 3.5Å; M232-V241 WeakPolarHBondContact SD-CG1 3.38Å; M232-L242 CarbonylContact C-O 3.57Å; M232-L242 WeakPolarHBondContact CA-O 3.46Å
233	W	98.4	Very high	95.4	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	125.6	178.2	-166.4	86.3	0	0	0	110.8	G102 S104 L194 D198 S201 Q202 E235 L242 F251	G102-W233 WeakPolarHBondContact O-CA 3.46Å; S104-W233 VanDerWaalsContact CA-CZ2 3.41Å; L194-W233 HydrophobicContact CD2-CH2 3.94Å; L194-W233 HydrophobicContact CD2-CZ3 4.38Å; D198-W233 HydrophobicContact CB-CH2 4.22Å; D198-W233 HydrophobicContact CB-CZ2 3.87Å; S201-W233 PolarHBondContact OG-NE1 3.34Å; Q202-W233 HydrophobicContact CG-CD2 3.88Å; Q202-W233 HydrophobicContact CG-CG 3.83Å; Q202-W233 HydrophobicContact CG-CZ2 4.39Å; W233-E235 HydrophobicContact CE3-CB 4.15Å; W233-E235 HydrophobicContact CH2-CB 4.35Å; W233-E235 HydrophobicContact CH2-CG 4.3Å; W233-E235 HydrophobicContact CZ3-CB 3.56Å; W233-E235 HydrophobicContact CZ3-CG 3.86Å; W233-L242 HydrophobicContact CE3-CD1 4.1Å; W233-L242 HydrophobicContact CE3-CD2 4.25Å; W233-L242 PolarHBondContact N-O 2.83Å; W233-L242 PolarHBondContact O-N 2.79Å; W233-F251 HydrophobicContact CB-CD1 3.51Å; W233-F251 HydrophobicContact CB-CE1 3.63Å; W233-F251 HydrophobicContact CB-CG 4.21Å; W233-F251 HydrophobicContact CB-CZ 4.42Å
234	F	98.2	Very high	95.6	Very high	22 Å²	22	46.7 Å²	46.7	10%	0.096	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	120.6	-179.1	177.3	-135.3	0	0	0	111.5	V43 L48 G102 H103 S104 F236 N240 V241	V43-F234 HydrophobicContact CG2-CD1 4.47Å; L48-F234 HydrophobicContact CD1-CB 3.98Å; L48-F234 HydrophobicContact CD1-CD1 3.83Å; L48-F234 HydrophobicContact CD1-CD2 4.26Å; L48-F234 HydrophobicContact CD1-CE1 4.39Å; L48-F234 HydrophobicContact CD1-CG 3.77Å; L48-F234 HydrophobicContact CD2-CD1 4.03Å; L48-F234 HydrophobicContact CD2-CD2 3.67Å; L48-F234 HydrophobicContact CD2-CE1 3.87Å; L48-F234 HydrophobicContact CD2-CE2 3.53Å; L48-F234 HydrophobicContact CD2-CG 3.96Å; L48-F234 HydrophobicContact CD2-CZ 3.65Å; G102-F234 PolarHBondContact O-N 2.71Å; H103-F234 CarbonylContact C-O 3.58Å; H103-F234 WeakPolarHBondContact CA-O 3.3Å; H103-F234 HydrophobicContact CB-CB 4.28Å; H103-F234 WeakPolarHBondContact CB-O 3.47Å; S104-F234 PolarHBondContact N-O 3.09Å; F234-F236 AromaticContact CD1-CD1 3.46Å; F234-F236 HydrophobicContact CD1-CD1 3.46Å; F234-F236 VanDerWaalsContact CD1-CD1 3.46Å; F234-F236 AromaticContact CD1-CE1 3.36Å; F234-F236 HydrophobicContact CD1-CE1 3.36Å; F234-F236 AromaticContact CE1-CD1 3.25Å; F234-F236 HydrophobicContact CE1-CD1 3.25Å; F234-F236 AromaticContact CE1-CE1 3.41Å; F234-F236 HydrophobicContact CE1-CE1 3.41Å; F234-F236 VanDerWaalsContact CE1-CE1 3.41Å; F234-F236 HydrophobicContact CG-CD1 4.38Å; F234-F236 HydrophobicContact CG-CE1 4.48Å; F234-F236 HydrophobicContact CZ-CD1 4.01Å; F234-N240 WeakPolarHBondContact CD2-O 3.44Å; F234-V241 HydrophobicContact CD2-CG2 4.25Å
235	E	96.5	Very high	95.8	Very high	34 Å²	34	40 Å²	40	16%	0.159	21%	0.207	C	C	.	.			trans	-93.1	109.9	177.3	-170.2	173.9	-128.5	0	0	110.6	W233 Y237 S238 G239 N240 L242	W233-E235 HydrophobicContact CE3-CB 4.15Å; W233-E235 HydrophobicContact CH2-CB 4.35Å; W233-E235 HydrophobicContact CH2-CG 4.3Å; W233-E235 HydrophobicContact CZ3-CB 3.56Å; W233-E235 HydrophobicContact CZ3-CG 3.86Å; E235-Y237 PolarHBondContact O-N 3.48Å; E235-S238 WeakPolarHBondContact CB-OG 3.4Å; E235-S238 WeakPolarHBondContact CG-OG 3.49Å; E235-S238 VanDerWaalsContact OE2-CB 3.24Å; E235-S238 WeakPolarHBondContact OE2-CB 3.45Å; E235-S238 PolarHBondContact OE2-OG 3.01Å; E235-G239 VanDerWaalsContact O-CA 3.3Å; E235-G239 WeakPolarHBondContact O-CA 3.29Å; E235-G239 PolarHBondContact O-N 3.46Å; E235-N240 PolarHBondContact N-O 3.05Å; E235-N240 PolarHBondContact O-N 3.22Å; E235-L242 HydrophobicContact CB-CD1 3.99Å
236	F	91	Very high	96	Very high	38 Å²	38	39.3 Å²	39.3	17%	0.167	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-39.6	-175.4	-67.7	-28.9	0	0	0	113.6	R42 V43 H103 S104 D105 F234	R42-F236 HydrophobicContact CB-CD1 4.37Å; R42-F236 HydrophobicContact CB-CE1 3.65Å; R42-F236 HydrophobicContact CB-CE2 4.38Å; R42-F236 HydrophobicContact CB-CZ 3.66Å; V43-F236 HydrophobicContact CG2-CE1 3.9Å; V43-F236 HydrophobicContact CG2-CZ 3.89Å; H103-F236 HydrophobicContact CB-CE1 4.15Å; H103-F236 HydrophobicContact CB-CZ 3.98Å; H103-F236 AromaticContact CE1-CE2 3.96Å; H103-F236 AromaticContact CE1-CZ 3.78Å; H103-F236 AromaticContact CG-CZ 3.74Å; H103-F236 AromaticContact ND1-CE2 3.29Å; H103-F236 VanDerWaalsContact ND1-CE2 3.29Å; H103-F236 WeakPolarHBondContact ND1-CE2 3.09Å; H103-F236 AromaticContact ND1-CZ 3.1Å; H103-F236 WeakPolarHBondContact ND1-CZ 3.33Å; S104-F236 WeakPolarHBondContact O-CD2 3.14Å; S104-F236 WeakPolarHBondContact O-CE2 3.08Å; S104-F236 WeakPolarHBondContact OG-CB 3.42Å; S104-F236 WeakPolarHBondContact OG-CD2 3.03Å; S104-F236 VanDerWaalsContact OG-CG 3.3Å; S104-F236 WeakPolarHBondContact OG-CG 3.47Å; S104-F236 PolarHBondContact OG-N 3.43Å; D105-F236 HydrophobicContact CB-CD2 4.1Å; D105-F236 HydrophobicContact CB-CE2 4.35Å; F234-F236 AromaticContact CD1-CD1 3.46Å; F234-F236 HydrophobicContact CD1-CD1 3.46Å; F234-F236 VanDerWaalsContact CD1-CD1 3.46Å; F234-F236 AromaticContact CD1-CE1 3.36Å; F234-F236 HydrophobicContact CD1-CE1 3.36Å; F234-F236 AromaticContact CE1-CD1 3.25Å; F234-F236 HydrophobicContact CE1-CD1 3.25Å; F234-F236 AromaticContact CE1-CE1 3.41Å; F234-F236 HydrophobicContact CE1-CE1 3.41Å; F234-F236 VanDerWaalsContact CE1-CE1 3.41Å; F234-F236 HydrophobicContact CG-CD1 4.38Å; F234-F236 HydrophobicContact CG-CE1 4.48Å; F234-F236 HydrophobicContact CZ-CD1 4.01Å
237	Y	88.9	Confident	96.1	Very high	183 Å²	183	43.2 Å²	43.2	72%	0.718	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-34.4	-171.2	-61.3	-71.4	0	0	0	112.7	E235	E235-Y237 PolarHBondContact O-N 3.48Å
238	S	92.3	Very high	96.1	Very high	58 Å²	58	46.4 Å²	46.4	41%	0.406	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-23.1	176.4	66.1	0	0	0	0	113	E235 N240	E235-S238 WeakPolarHBondContact CB-OG 3.4Å; E235-S238 WeakPolarHBondContact CG-OG 3.49Å; E235-S238 VanDerWaalsContact OE2-CB 3.24Å; E235-S238 WeakPolarHBondContact OE2-CB 3.45Å; E235-S238 PolarHBondContact OE2-OG 3.01Å; S238-N240 WeakPolarHBondContact CB-ND2 3.38Å; S238-N240 VanDerWaalsContact OG-CB 3.31Å; S238-N240 WeakPolarHBondContact OG-CB 3.3Å; S238-N240 PolarHBondContact OG-N 2.85Å; S238-N240 VanDerWaalsContact OG-N 3.09Å; S238-N240 PolarHBondContact OG-ND2 3.41Å
239	G	93.4	Very high	96.1	Very high	44 Å²	44	45.3 Å²	45.3	45%	0.454	23%	0.229	S	C	.	.			trans	77.7	8	-169.3	0	0	0	0	0	113.7	E235	E235-G239 VanDerWaalsContact O-CA 3.3Å; E235-G239 WeakPolarHBondContact O-CA 3.29Å; E235-G239 PolarHBondContact O-N 3.46Å
240	N	95.6	Very high	96.1	Very high	72 Å²	72	45.4 Å²	45.4	39%	0.385	23%	0.23	S	C	.	.			trans	-77	139.8	-177.6	-69.3	-30.8	0	0	0	111.9	F234 E235 S238 L242	F234-N240 WeakPolarHBondContact CD2-O 3.44Å; E235-N240 PolarHBondContact N-O 3.05Å; E235-N240 PolarHBondContact O-N 3.22Å; S238-N240 WeakPolarHBondContact CB-ND2 3.38Å; S238-N240 VanDerWaalsContact OG-CB 3.31Å; S238-N240 WeakPolarHBondContact OG-CB 3.3Å; S238-N240 PolarHBondContact OG-N 2.85Å; S238-N240 VanDerWaalsContact OG-N 3.09Å; S238-N240 PolarHBondContact OG-ND2 3.41Å; N240-L242 HydrophobicContact CB-CD1 3.82Å; N240-L242 WeakPolarHBondContact O-CD1 3.32Å
241	V	97.2	Very high	96.1	Very high	31 Å²	31	45 Å²	45	19%	0.188	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	124.4	164.3	178.5	0	0	0	0	107.6	L48 M232 F234 V254	L48-V241 HydrophobicContact CB-CG2 4.18Å; L48-V241 HydrophobicContact CD2-CG2 4.24Å; M232-V241 HydrophobicContact CG-CG1 3.62Å; M232-V241 HydrophobicContact SD-CG1 3.5Å; M232-V241 WeakPolarHBondContact SD-CG1 3.38Å; F234-V241 HydrophobicContact CD2-CG2 4.25Å; V241-V254 PolarHBondContact O-N 3.35Å
242	L	97.7	Very high	96	Very high	11 Å²	11	46.4 Å²	46.4	6%	0.058	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	144.2	177.5	-62.8	71.2	0	0	0	109.8	M232 W233 E235 N240 F251 L252 P253	M232-L242 CarbonylContact C-O 3.57Å; M232-L242 WeakPolarHBondContact CA-O 3.46Å; W233-L242 HydrophobicContact CE3-CD1 4.1Å; W233-L242 HydrophobicContact CE3-CD2 4.25Å; W233-L242 PolarHBondContact N-O 2.83Å; W233-L242 PolarHBondContact O-N 2.79Å; E235-L242 HydrophobicContact CB-CD1 3.99Å; N240-L242 HydrophobicContact CB-CD1 3.82Å; N240-L242 WeakPolarHBondContact O-CD1 3.32Å; L242-F251 HydrophobicContact CB-CB 3.92Å; L242-F251 HydrophobicContact CB-CD1 4.36Å; L242-F251 HydrophobicContact CD2-CB 3.88Å; L242-L252 CarbonylContact C-O 3.15Å; L242-L252 WeakPolarHBondContact CA-O 3.49Å; L242-L252 WeakPolarHBondContact CB-O 3.41Å; L242-P253 HydrophobicContact CG-CB 4.4Å
243	L	98	Very high	95.9	Very high	33 Å²	33	48.4 Å²	48.4	17%	0.173	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	139	173.2	-164.9	74.4	0	0	0	109.4	H230 G231 S245 F251 L252 V254 L262 L266	H230-L243 HydrophobicContact CB-CD1 4.48Å; G231-L243 WeakPolarHBondContact O-CD1 3.29Å; L243-S245 PolarHBondContact O-N 3Å; L243-F251 WeakPolarHBondContact O-CA 3.26Å; L243-L252 PolarHBondContact N-O 3.11Å; L243-L252 PolarHBondContact O-N 3.17Å; L243-V254 HydrophobicContact CB-CG2 4.1Å; L243-L262 HydrophobicContact CB-CD1 4.15Å; L243-L262 HydrophobicContact CB-CD2 4.16Å; L243-L262 HydrophobicContact CD2-CB 4.21Å; L243-L262 HydrophobicContact CD2-CD2 4.2Å; L243-L266 HydrophobicContact CD2-CD2 4.34Å
244	Y	98.2	Very high	95.8	Very high	15 Å²	15	51.8 Å²	51.8	6%	0.059	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	119.4	175.7	178	-107.6	0	0	0	110.8	L184 E185 L206 M209 G231 R246 F251	L184-Y244 HydrophobicContact CB-CE1 4.36Å; L184-Y244 HydrophobicContact CD2-CE1 3.97Å; E185-Y244 PolarHBondContact N-OH 2.92Å; E185-Y244 VanDerWaalsContact O-CE2 3.32Å; E185-Y244 WeakPolarHBondContact O-CE2 3.35Å; E185-Y244 PolarHBondContact O-OH 3.04Å; L206-Y244 HydrophobicContact CD1-CD2 4.32Å; L206-Y244 HydrophobicContact CD1-CE2 3.76Å; L206-Y244 HydrophobicContact CD2-CD1 3.78Å; L206-Y244 HydrophobicContact CD2-CD2 3.54Å; L206-Y244 HydrophobicContact CD2-CE1 3.93Å; L206-Y244 HydrophobicContact CD2-CE2 3.68Å; L206-Y244 HydrophobicContact CD2-CG 3.57Å; L206-Y244 HydrophobicContact CG-CE2 4.37Å; M209-Y244 HydrophobicContact CE-CD1 4.24Å; G231-Y244 PolarHBondContact O-N 3.45Å; Y244-R246 HydrophobicContact CD1-CG 4.27Å; Y244-R246 HydrophobicContact CE1-CB 4.45Å; Y244-R246 HydrophobicContact CE1-CG 3.75Å; Y244-F251 HydrophobicContact CD2-CD2 4.11Å; Y244-F251 AromaticContact CD2-CE2 3.91Å; Y244-F251 HydrophobicContact CD2-CE2 3.91Å; Y244-F251 HydrophobicContact CD2-CZ 4.28Å; Y244-F251 HydrophobicContact CG-CE2 4.45Å; Y244-F251 HydrophobicContact CG-CZ 4.38Å
245	S	97.6	Very high	95.7	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	121.1	170.3	169.2	0	0	0	0	109.3	L243 L247 N248 K249 A250 E265	L243-S245 PolarHBondContact O-N 3Å; S245-L247 VanDerWaalsContact C-N 3.34Å; S245-N248 WeakPolarHBondContact OG-CB 3.48Å; S245-N248 PolarHBondContact OG-N 3.23Å; S245-N248 VanDerWaalsContact OG-N 3.08Å; S245-N248 PolarHBondContact OG-ND2 2.98Å; S245-K249 WeakPolarHBondContact O-CA 3.3Å; S245-K249 PolarHBondContact O-N 3.2Å; S245-A250 PolarHBondContact N-O 3.07Å; S245-A250 PolarHBondContact O-N 2.97Å; S245-E265 WeakPolarHBondContact CA-OE2 3.29Å; S245-E265 WeakPolarHBondContact CB-OE1 3.37Å; S245-E265 VanDerWaalsContact OG-CD 3.31Å; S245-E265 PolarHBondContact OG-OE1 3.24Å; S245-E265 PolarHBondContact OG-OE2 3.28Å
246	R	95.8	Very high	95.7	Very high	97 Å²	97	60.3 Å²	60.3	37%	0.366	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-38.6	174.1	-65.8	172	-177.3	-129.7	3	110.7	L184 Y244 K249 E265	L184-R246 HydrophobicContact CD2-CG 4.41Å; Y244-R246 HydrophobicContact CD1-CG 4.27Å; Y244-R246 HydrophobicContact CE1-CB 4.45Å; Y244-R246 HydrophobicContact CE1-CG 3.75Å; R246-K249 PolarHBondContact O-N 3Å; R246-E265 PolarHBondContact N-OE2 3.22Å
247	L	95.2	Very high	95.9	Very high	136 Å²	136	65.8 Å²	65.8	71%	0.712	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-44.1	179.8	-67.2	177.1	0	0	0	111.7	S245 E265	S245-L247 VanDerWaalsContact C-N 3.34Å; L247-E265 HydrophobicContact CD1-CG 3.86Å; L247-E265 HydrophobicContact CG-CG 4.1Å; L247-E265 PolarHBondContact N-OE2 2.9Å
248	N	95.7	Very high	96.2	Very high	76 Å²	76	58.2 Å²	58.2	41%	0.406	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-6.3	-179.4	-64.8	-85.7	0	0	0	113.2	S245 A250 L252	S245-N248 WeakPolarHBondContact OG-CB 3.48Å; S245-N248 PolarHBondContact OG-N 3.23Å; S245-N248 VanDerWaalsContact OG-N 3.08Å; S245-N248 PolarHBondContact OG-ND2 2.98Å; N248-A250 PolarHBondContact O-N 3Å; N248-L252 HydrophobicContact CB-CD1 4.14Å; N248-L252 HydrophobicContact CB-CD2 4.34Å
249	K	97.2	Very high	96.4	Very high	69 Å²	69	58.5 Å²	58.5	30%	0.3	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.7	38.1	-176.7	-53	179.1	-173.5	-167	0	112	E185 L186 D187 S245 R246	E185-K249 HydrophobicContact CB-CB 4.31Å; E185-K249 HydrophobicContact CB-CD 3.92Å; E185-K249 HydrophobicContact CB-CG 4.11Å; E185-K249 CarbonylContact O-C 3.51Å; E185-K249 WeakPolarHBondContact O-CA 3.09Å; E185-K249 WeakPolarHBondContact O-CB 3.49Å; E185-K249 WeakPolarHBondContact OE2-CD 3.22Å; E185-K249 WeakPolarHBondContact OE2-CE 3.34Å; E185-K249 IonicContact OE2-NZ 2.67Å; E185-K249 PolarHBondContact OE2-NZ 3.36Å; L186-K249 CarbonylContact C-O 3.49Å; L186-K249 VanDerWaalsContact CA-O 3.32Å; L186-K249 WeakPolarHBondContact CA-O 3.41Å; D187-K249 HydrophobicContact CB-CB 4.15Å; D187-K249 PolarHBondContact N-O 3.27Å; S245-K249 WeakPolarHBondContact O-CA 3.3Å; S245-K249 PolarHBondContact O-N 3.2Å; R246-K249 PolarHBondContact O-N 3Å
250	A	97.3	Very high	96.4	Very high	5 Å²	5	60.8 Å²	60.8	4%	0.041	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	158.5	-171.4	0	0	0	0	0	111.5	L190 S245 N248 L252	L190-A250 HydrophobicContact CB-CB 4.42Å; L190-A250 HydrophobicContact CD1-CB 3.9Å; S245-A250 PolarHBondContact N-O 3.07Å; S245-A250 PolarHBondContact O-N 2.97Å; N248-A250 PolarHBondContact O-N 3Å; A250-L252 HydrophobicContact CB-CD2 4.36Å
251	F	97.8	Very high	96.4	Very high	15 Å²	15	59.5 Å²	59.5	7%	0.066	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	121.7	166.4	-76.8	-94.1	0	0	0	109.1	L186 Q202 V205 L206 W233 L242 L243 Y244	L186-F251 HydrophobicContact CD1-CD2 4.21Å; Q202-F251 HydrophobicContact CB-CD2 3.9Å; Q202-F251 HydrophobicContact CB-CE2 3.7Å; Q202-F251 VanDerWaalsContact CD-CD2 3.44Å; Q202-F251 HydrophobicContact CG-CD2 3.75Å; Q202-F251 HydrophobicContact CG-CE2 3.93Å; Q202-F251 HydrophobicContact CG-CG 4.3Å; V205-F251 HydrophobicContact CB-CZ 3.89Å; V205-F251 HydrophobicContact CG1-CE1 4.17Å; V205-F251 HydrophobicContact CG1-CZ 3.74Å; V205-F251 HydrophobicContact CG2-CZ 4.49Å; L206-F251 HydrophobicContact CD2-CE2 4.11Å; L206-F251 HydrophobicContact CD2-CZ 4.09Å; L206-F251 HydrophobicContact CG-CE2 4.4Å; W233-F251 HydrophobicContact CB-CD1 3.51Å; W233-F251 HydrophobicContact CB-CE1 3.63Å; W233-F251 HydrophobicContact CB-CG 4.21Å; W233-F251 HydrophobicContact CB-CZ 4.42Å; L242-F251 HydrophobicContact CB-CB 3.92Å; L242-F251 HydrophobicContact CB-CD1 4.36Å; L242-F251 HydrophobicContact CD2-CB 3.88Å; L243-F251 WeakPolarHBondContact O-CA 3.26Å; Y244-F251 HydrophobicContact CD2-CD2 4.11Å; Y244-F251 AromaticContact CD2-CE2 3.91Å; Y244-F251 HydrophobicContact CD2-CE2 3.91Å; Y244-F251 HydrophobicContact CD2-CZ 4.28Å; Y244-F251 HydrophobicContact CG-CE2 4.45Å; Y244-F251 HydrophobicContact CG-CZ 4.38Å
252	L	96.7	Very high	96.3	Very high	32 Å²	32	58.3 Å²	58.3	17%	0.168	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	137.7	179	-56	-178.1	0	0	0	109.8	L242 L243 N248 A250 L262	L242-L252 CarbonylContact C-O 3.15Å; L242-L252 WeakPolarHBondContact CA-O 3.49Å; L242-L252 WeakPolarHBondContact CB-O 3.41Å; L243-L252 PolarHBondContact N-O 3.11Å; L243-L252 PolarHBondContact O-N 3.17Å; N248-L252 HydrophobicContact CB-CD1 4.14Å; N248-L252 HydrophobicContact CB-CD2 4.34Å; A250-L252 HydrophobicContact CB-CD2 4.36Å; L252-L262 HydrophobicContact CB-CD2 4.38Å; L252-L262 HydrophobicContact CD1-CD2 4.31Å
253	P	96.2	Very high	96.1	Very high	46 Å²	46	62.2 Å²	62.2	30%	0.299	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	139.7	174.1	28.7	-35.1	0	0	0	109.9	L242 T255 T258	L242-P253 HydrophobicContact CG-CB 4.4Å; P253-T255 HydrophobicContact CB-CG2 3.99Å; P253-T255 HydrophobicContact CG-CG2 4.24Å; P253-T255 PolarHBondContact O-N 2.93Å; P253-T258 WeakPolarHBondContact O-CB 3.41Å; P253-T258 PolarHBondContact O-OG1 2.99Å
254	V	96.1	Very high	95.8	Very high	70 Å²	70	66.7 Å²	66.7	42%	0.424	34%	0.343	S	S	.	.			trans	-80.3	100.1	176	-177.6	0	0	0	0	108.9	V241 L243 I259 L262	V241-V254 PolarHBondContact O-N 3.35Å; L243-V254 HydrophobicContact CB-CG2 4.1Å; V254-I259 HydrophobicContact CG1-CD1 4.03Å; V254-L262 HydrophobicContact CG2-CD1 4.02Å
255	T	96.1	Very high	95.4	Very high	49 Å²	49	68 Å²	68	30%	0.301	35%	0.35	S	S	.	.	S	Bend	trans	-131.4	176.2	-178.9	76.1	0	0	0	0	110.8	P253 E257 T258 I259	P253-T255 HydrophobicContact CB-CG2 3.99Å; P253-T255 HydrophobicContact CG-CG2 4.24Å; P253-T255 PolarHBondContact O-N 2.93Å; T255-E257 WeakPolarHBondContact CB-OE2 3.35Å; T255-E257 PolarHBondContact O-N 2.84Å; T255-E257 PolarHBondContact OG1-N 3.11Å; T255-E257 PolarHBondContact OG1-OE2 3.35Å; T255-T258 PolarHBondContact N-OG1 3.39Å; T255-T258 PolarHBondContact O-N 3.29Å; T255-T258 PolarHBondContact O-OG1 3.46Å; T255-T258 PolarHBondContact OG1-OG1 3.03Å; T255-I259 VanDerWaalsContact O-CB 3.26Å; T255-I259 WeakPolarHBondContact O-CB 3.48Å; T255-I259 WeakPolarHBondContact O-CG2 3.27Å; T255-I259 PolarHBondContact O-N 3.05Å
256	K	95.3	Very high	94.6	Very high	187 Å²	187	73.3 Å²	73.3	81%	0.813	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-28.4	176.6	-70.4	-177.6	179.4	178.3	0	112.3
257	E	95.7	Very high	94.6	Very high	153 Å²	153	72.1 Å²	72.1	72%	0.715	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-33.1	-178	-58.2	70.8	-148.8	0	0	112.1	T255	T255-E257 WeakPolarHBondContact CB-OE2 3.35Å; T255-E257 PolarHBondContact O-N 2.84Å; T255-E257 PolarHBondContact OG1-N 3.11Å; T255-E257 PolarHBondContact OG1-OE2 3.35Å
258	T	95.8	Very high	94.5	Very high	24 Å²	24	68.7 Å²	68.7	15%	0.147	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-20.4	-175.7	59.7	0	0	0	0	113.7	P253 T255 T260 S261 L262	P253-T258 WeakPolarHBondContact O-CB 3.41Å; P253-T258 PolarHBondContact O-OG1 2.99Å; T255-T258 PolarHBondContact N-OG1 3.39Å; T255-T258 PolarHBondContact O-N 3.29Å; T255-T258 PolarHBondContact O-OG1 3.46Å; T255-T258 PolarHBondContact OG1-OG1 3.03Å; T258-T260 VanDerWaalsContact C-N 3.3Å; T258-T260 PolarHBondContact O-N 2.8Å; T258-S261 PolarHBondContact O-N 3.12Å; T258-S261 VanDerWaalsContact O-N 3.13Å; T258-S261 PolarHBondContact O-OG 3.46Å; T258-L262 WeakPolarHBondContact O-CG 2.79Å; T258-L262 PolarHBondContact O-N 3.36Å
259	I	94.9	Very high	94.5	Very high	63 Å²	63	68.3 Å²	68.3	32%	0.323	36%	0.358	S	S	.	.	H	α-helix	trans	-57.7	-39.7	-171.3	-172.1	60.6	0	0	0	113.1	V254 T255 L262 I263	V254-I259 HydrophobicContact CG1-CD1 4.03Å; T255-I259 VanDerWaalsContact O-CB 3.26Å; T255-I259 WeakPolarHBondContact O-CB 3.48Å; T255-I259 WeakPolarHBondContact O-CG2 3.27Å; T255-I259 PolarHBondContact O-N 3.05Å; I259-L262 PolarHBondContact O-N 3.22Å; I259-I263 HydrophobicContact CD1-CD1 3.95Å; I259-I263 HydrophobicContact CD1-CG1 4.07Å; I259-I263 HydrophobicContact CG1-CD1 3.73Å; I259-I263 HydrophobicContact CG1-CG1 4.26Å; I259-I263 WeakPolarHBondContact O-CB 3.39Å; I259-I263 VanDerWaalsContact O-CG1 3.28Å; I259-I263 WeakPolarHBondContact O-CG1 3.32Å; I259-I263 PolarHBondContact O-N 2.93Å
260	T	94.7	Very high	94.3	Very high	93 Å²	93	68.3 Å²	68.3	57%	0.571	36%	0.362	S	S	*	.	H	α-helix	trans	-65.6	-41.9	179.9	-57	0	0	0	0	111.8	T258 N264	T258-T260 VanDerWaalsContact C-N 3.3Å; T258-T260 PolarHBondContact O-N 2.8Å; T260-N264 PolarHBondContact O-N 3.32Å; T260-N264 PolarHBondContact O-ND2 3.48Å
261	S	94.5	Very high	94.1	Very high	45 Å²	45	72.3 Å²	72.3	32%	0.315	38%	0.382	S	S	.	.	H	α-helix	trans	-68.4	-41.2	177.7	69.3	0	0	0	0	111.1	T258 N264 E265	T258-S261 PolarHBondContact O-N 3.12Å; T258-S261 VanDerWaalsContact O-N 3.13Å; T258-S261 PolarHBondContact O-OG 3.46Å; S261-N264 PolarHBondContact O-N 3Å; S261-E265 PolarHBondContact O-N 2.72Å
262	L	95	Very high	93.9	Very high	5 Å²	5	76.1 Å²	76.1	3%	0.026	40%	0.403	C	S	.	.	H	α-helix	trans	-63.4	-42	178.7	-69	174.4	0	0	0	112	L243 L252 V254 T258 I259 N264 E265	L243-L262 HydrophobicContact CB-CD1 4.15Å; L243-L262 HydrophobicContact CB-CD2 4.16Å; L243-L262 HydrophobicContact CD2-CB 4.21Å; L243-L262 HydrophobicContact CD2-CD2 4.2Å; L252-L262 HydrophobicContact CB-CD2 4.38Å; L252-L262 HydrophobicContact CD1-CD2 4.31Å; V254-L262 HydrophobicContact CG2-CD1 4.02Å; T258-L262 WeakPolarHBondContact O-CG 2.79Å; T258-L262 PolarHBondContact O-N 3.36Å; I259-L262 PolarHBondContact O-N 3.22Å; L262-N264 VanDerWaalsContact C-N 3.31Å; L262-N264 PolarHBondContact O-N 3Å; L262-E265 PolarHBondContact O-N 2.86Å
263	I	93.4	Very high	93.7	Very high	93 Å²	93	79.2 Å²	79.2	48%	0.477	42%	0.419	S	S	.	.	H	α-helix	trans	-63.2	-37.1	176.7	-73.2	172.4	0	0	0	111.6	I259 E265 L266	I259-I263 HydrophobicContact CD1-CD1 3.95Å; I259-I263 HydrophobicContact CD1-CG1 4.07Å; I259-I263 HydrophobicContact CG1-CD1 3.73Å; I259-I263 HydrophobicContact CG1-CG1 4.26Å; I259-I263 WeakPolarHBondContact O-CB 3.39Å; I259-I263 VanDerWaalsContact O-CG1 3.28Å; I259-I263 WeakPolarHBondContact O-CG1 3.32Å; I259-I263 PolarHBondContact O-N 2.93Å; I263-E265 PolarHBondContact O-N 3.27Å; I263-L266 PolarHBondContact O-N 3.33Å
264	N	92	Very high	93.5	Very high	127 Å²	127	81.8 Å²	81.8	68%	0.679	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-13.1	-179.9	-69.7	-19.9	0	0	0	113.6	T260 S261 L262	T260-N264 PolarHBondContact O-N 3.32Å; T260-N264 PolarHBondContact O-ND2 3.48Å; S261-N264 PolarHBondContact O-N 3Å; L262-N264 VanDerWaalsContact C-N 3.31Å; L262-N264 PolarHBondContact O-N 3Å
265	E	89.6	Confident	93.3	Very high	42 Å²	42	82.8 Å²	82.8	20%	0.196	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-9.1	177.2	-67.3	-175.4	-127.8	0	0	113.8	S245 R246 L247 S261 L262 I263	S245-E265 WeakPolarHBondContact CA-OE2 3.29Å; S245-E265 WeakPolarHBondContact CB-OE1 3.37Å; S245-E265 VanDerWaalsContact OG-CD 3.31Å; S245-E265 PolarHBondContact OG-OE1 3.24Å; S245-E265 PolarHBondContact OG-OE2 3.28Å; R246-E265 PolarHBondContact N-OE2 3.22Å; L247-E265 HydrophobicContact CD1-CG 3.86Å; L247-E265 HydrophobicContact CG-CG 4.1Å; L247-E265 PolarHBondContact N-OE2 2.9Å; S261-E265 PolarHBondContact O-N 2.72Å; L262-E265 PolarHBondContact O-N 2.86Å; I263-E265 PolarHBondContact O-N 3.27Å
266	L	82.2	Confident	93	Very high	112 Å²	112	85.8 Å²	85.8	59%	0.586	44%	0.441	S	S	*	.			trans	-77.8	0	179.3	-52	177.9	0	0	0	111.4	R228 H230 L243 I263	R228-L266 WeakPolarHBondContact CD-O 3.43Å; H230-L266 WeakPolarHBondContact CE1-CD2 3.08Å; H230-L266 WeakPolarHBondContact ND1-CD2 3.37Å; L243-L266 HydrophobicContact CD2-CD2 4.34Å; I263-L266 PolarHBondContact O-N 3.33Å

Retrieved 266 of 266 residues in 426 ms (Link to these results)

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