A0A087XWE5_POEFO Loading...

WD and tetratricopeptide repeats 1

AlphaFold DB (A0A3B3W2L0), UniProt , Accession A0A087XWE5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 668 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	34.4	Very low	55.7	Low	240 Å²	240	111.3 Å²	111.3	100%	1.182	62%	0.62	S	S	*	*				0	123.5	0	-80.4	178.8	-115.3	0	0	109	A3	M1-A3 PolarHBondContact O-N 2.94Å
2	A	32.6	Very low	56	Low	95 Å²	95	107.4 Å²	107.4	79%	0.785	59%	0.594	S	S	*	*			trans	-64.1	126.6	166.9	0	0	0	0	0	108	V4	A2-V4 PolarHBondContact O-N 3Å
3	A	38.6	Very low	56.4	Low	104 Å²	104	111.6 Å²	111.6	86%	0.86	60%	0.595	S	S	*	*			trans	-61.2	108.2	-179.9	0	0	0	0	0	109.3	M1 N5	M1-A3 PolarHBondContact O-N 2.94Å; A3-N5 PolarHBondContact O-N 3.03Å
4	V	56.8	Low	56.8	Low	94 Å²	94	114.3 Å²	114.3	57%	0.57	60%	0.602	S	S	*	*			trans	-70.5	119.7	174.5	178.4	0	0	0	0	107.2	A2 I6 E9 F27	A2-V4 PolarHBondContact O-N 3Å; V4-I6 VanDerWaalsContact C-N 3.3Å; V4-I6 PolarHBondContact O-N 3.2Å; V4-E9 HydrophobicContact CG1-CG 4.48Å; V4-F27 HydrophobicContact CG1-CZ 4.09Å
5	N	69.4	Low	57.3	Low	96 Å²	96	114.3 Å²	114.3	51%	0.513	60%	0.601	S	S	.	*			trans	-73.8	87.3	176.7	-173.6	-27.1	0	0	0	109.3	A3 T7 R8 E9	A3-N5 PolarHBondContact O-N 3.03Å; N5-T7 PolarHBondContact O-N 3.32Å; N5-T7 WeakPolarHBondContact OD1-CB 3.38Å; N5-T7 PolarHBondContact OD1-N 3.19Å; N5-R8 HydrophobicContact CB-CB 4.08Å; N5-R8 WeakPolarHBondContact O-CB 3.04Å; N5-R8 PolarHBondContact O-N 3.26Å; N5-R8 VanDerWaalsContact O-N 3.09Å; N5-R8 PolarHBondContact OD1-N 3.46Å; N5-E9 PolarHBondContact O-N 2.92Å
6	I	63.8	Low	56.8	Low	112 Å²	112	116.4 Å²	116.4	57%	0.574	60%	0.599	S	S	*	*	H	α-helix	trans	-59	-32.5	-177.3	-158.3	162.4	0	0	0	112.2	V4 R8 E9 I10	V4-I6 VanDerWaalsContact C-N 3.3Å; V4-I6 PolarHBondContact O-N 3.2Å; I6-R8 PolarHBondContact O-N 2.97Å; I6-E9 PolarHBondContact O-N 2.62Å; I6-I10 HydrophobicContact CG1-CD1 4.07Å; I6-I10 HydrophobicContact CG1-CG1 4.48Å; I6-I10 WeakPolarHBondContact O-CB 3.39Å; I6-I10 VanDerWaalsContact O-CG1 3.28Å; I6-I10 WeakPolarHBondContact O-CG1 3.38Å; I6-I10 PolarHBondContact O-N 3.13Å
7	T	62.9	Low	56.5	Low	96 Å²	96	119 Å²	119	59%	0.589	61%	0.614	S	S	*	*	H	α-helix	trans	-63.2	-43.1	177	-46.6	0	0	0	0	110.9	N5 E9 I10 L11	N5-T7 PolarHBondContact O-N 3.32Å; N5-T7 WeakPolarHBondContact OD1-CB 3.38Å; N5-T7 PolarHBondContact OD1-N 3.19Å; T7-E9 VanDerWaalsContact C-N 3.35Å; T7-E9 PolarHBondContact O-N 3.04Å; T7-I10 PolarHBondContact O-N 3.44Å; T7-L11 VanDerWaalsContact O-CB 3.23Å; T7-L11 WeakPolarHBondContact O-CB 3.33Å; T7-L11 PolarHBondContact O-N 2.71Å
8	R	66.8	Low	55.9	Low	159 Å²	159	125.4 Å²	125.4	60%	0.6	63%	0.629	S	S	*	*	H	α-helix	trans	-62.5	-41.8	176.2	-176	-180	178.6	178.6	2.7	111.7	N5 I6 H12	N5-R8 HydrophobicContact CB-CB 4.08Å; N5-R8 WeakPolarHBondContact O-CB 3.04Å; N5-R8 PolarHBondContact O-N 3.26Å; N5-R8 VanDerWaalsContact O-N 3.09Å; N5-R8 PolarHBondContact OD1-N 3.46Å; I6-R8 PolarHBondContact O-N 2.97Å; R8-H12 WeakPolarHBondContact CG-NE2 3.41Å; R8-H12 PolarHBondContact NE-NE2 2.8Å; R8-H12 WeakPolarHBondContact O-CB 3.42Å; R8-H12 PolarHBondContact O-CD2 2.79Å; R8-H12 VanDerWaalsContact O-CG 3.23Å; R8-H12 PolarHBondContact O-N 3.46Å
9	E	61.5	Low	55.3	Low	65 Å²	65	126.8 Å²	126.8	30%	0.304	63%	0.626	S	S	.	*	H	α-helix	trans	-70.9	-39.5	179.7	-68.5	-62.5	146.3	0	0	112.9	V4 N5 I6 T7 H12 R13 F23	V4-E9 HydrophobicContact CG1-CG 4.48Å; N5-E9 PolarHBondContact O-N 2.92Å; I6-E9 PolarHBondContact O-N 2.62Å; T7-E9 VanDerWaalsContact C-N 3.35Å; T7-E9 PolarHBondContact O-N 3.04Å; E9-H12 PolarHBondContact O-N 2.67Å; E9-R13 PolarHBondContact O-N 3.18Å; E9-F23 HydrophobicContact CB-CD2 3.73Å; E9-F23 HydrophobicContact CB-CE2 3.48Å; E9-F23 VanDerWaalsContact CB-CE2 3.48Å; E9-F23 HydrophobicContact CG-CD2 4.35Å; E9-F23 HydrophobicContact CG-CE2 4.31Å
10	I	63.2	Low	55	Low	73 Å²	73	122.1 Å²	122.1	37%	0.374	61%	0.608	S	S	.	*	H	α-helix	trans	-63.3	-44.4	172.7	-69.5	167.1	0	0	0	110.7	I6 T7 H12 R13 Q14	I6-I10 HydrophobicContact CG1-CD1 4.07Å; I6-I10 HydrophobicContact CG1-CG1 4.48Å; I6-I10 WeakPolarHBondContact O-CB 3.39Å; I6-I10 VanDerWaalsContact O-CG1 3.28Å; I6-I10 WeakPolarHBondContact O-CG1 3.38Å; I6-I10 PolarHBondContact O-N 3.13Å; T7-I10 PolarHBondContact O-N 3.44Å; I10-H12 VanDerWaalsContact C-N 3.3Å; I10-H12 PolarHBondContact O-N 2.76Å; I10-R13 WeakPolarHBondContact O-CB 3.46Å; I10-R13 PolarHBondContact O-N 3.27Å; I10-Q14 WeakPolarHBondContact O-CG 3.41Å; I10-Q14 PolarHBondContact O-N 2.94Å
11	L	62.3	Low	54.8	Low	90 Å²	90	119.5 Å²	119.5	47%	0.471	60%	0.6	S	S	.	*	H	α-helix	trans	-62.8	-39.4	177.1	-155	110.6	0	0	0	110.8	T7 Q14 I15	T7-L11 VanDerWaalsContact O-CB 3.23Å; T7-L11 WeakPolarHBondContact O-CB 3.33Å; T7-L11 PolarHBondContact O-N 2.71Å; L11-Q14 PolarHBondContact O-N 3.37Å; L11-I15 HydrophobicContact CD2-CD1 3.57Å; L11-I15 HydrophobicContact CG-CD1 3.62Å; L11-I15 VanDerWaalsContact O-CB 3.28Å; L11-I15 WeakPolarHBondContact O-CB 3.48Å; L11-I15 WeakPolarHBondContact O-CG1 3.23Å; L11-I15 PolarHBondContact O-N 2.94Å
12	H	59.6	Low	55.5	Low	65 Å²	65	111 Å²	111	30%	0.301	56%	0.564	S	S	.	*	H	α-helix	trans	-68	-35.9	174.4	-75.6	-42.2	0	0	0	113.4	R8 E9 I10 R16	R8-H12 WeakPolarHBondContact CG-NE2 3.41Å; R8-H12 PolarHBondContact NE-NE2 2.8Å; R8-H12 WeakPolarHBondContact O-CB 3.42Å; R8-H12 PolarHBondContact O-CD2 2.79Å; R8-H12 VanDerWaalsContact O-CG 3.23Å; R8-H12 PolarHBondContact O-N 3.46Å; E9-H12 PolarHBondContact O-N 2.67Å; I10-H12 VanDerWaalsContact C-N 3.3Å; I10-H12 PolarHBondContact O-N 2.76Å; H12-R16 PolarHBondContact O-N 3.38Å
13	R	61.1	Low	56.5	Low	162 Å²	162	108.2 Å²	108.2	61%	0.611	53%	0.534	S	S	*	.	H	α-helix	trans	-61.1	-43.2	170.6	175.3	-174	168.8	-178.1	-1.6	111.5	E9 I10 F23	E9-R13 PolarHBondContact O-N 3.18Å; I10-R13 WeakPolarHBondContact O-CB 3.46Å; I10-R13 PolarHBondContact O-N 3.27Å; R13-F23 HydrophobicContact CB-CD1 4.45Å
14	Q	62.5	Low	57.3	Low	149 Å²	149	107.8 Å²	107.8	70%	0.696	52%	0.515	S	S	*	.	H	α-helix	trans	-76.3	-27.5	-176.5	-72.1	176.7	-20	0	0	113.5	I10 L11	I10-Q14 WeakPolarHBondContact O-CG 3.41Å; I10-Q14 PolarHBondContact O-N 2.94Å; L11-Q14 PolarHBondContact O-N 3.37Å
15	I	63.5	Low	57.5	Low	114 Å²	114	110.4 Å²	110.4	59%	0.585	51%	0.514	S	S	*	.	H	α-helix	trans	-99.6	-12.1	-170.8	-64.1	175.2	0	0	0	113.4	L11	L11-I15 HydrophobicContact CD2-CD1 3.57Å; L11-I15 HydrophobicContact CG-CD1 3.62Å; L11-I15 VanDerWaalsContact O-CB 3.28Å; L11-I15 WeakPolarHBondContact O-CB 3.48Å; L11-I15 WeakPolarHBondContact O-CG1 3.23Å; L11-I15 PolarHBondContact O-N 2.94Å
16	R	49.4	Very low	57	Low	149 Å²	149	108.3 Å²	108.3	56%	0.562	51%	0.507	S	S	*	.			trans	-146.3	109.9	-177.3	-69.3	-173.1	176.9	178.6	-2.1	115.6	H12 R18 R19	H12-R16 PolarHBondContact O-N 3.38Å; R16-R18 PolarHBondContact O-N 3.48Å; R16-R19 PolarHBondContact O-N 3.06Å
17	D	52.4	Low	57.1	Low	160 Å²	160	107.2 Å²	107.2	86%	0.856	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	20.1	174.3	-160.5	19.9	0	0	0	115.7
18	R	45.9	Very low	57.8	Low	235 Å²	235	103.6 Å²	103.6	89%	0.887	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.2	-6.2	176.9	-69.6	-172	175.9	-171.5	-0.8	114.4	R16	R16-R18 PolarHBondContact O-N 3.48Å
19	R	44.2	Very low	58.7	Low	151 Å²	151	96.1 Å²	96.1	57%	0.57	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.4	1.5	176.4	-70.4	-167.8	-171.4	-175.1	1.4	114.5	R16 P21 S22 F23	R16-R19 PolarHBondContact O-N 3.06Å; R19-P21 VanDerWaalsContact C-N 3.26Å; R19-S22 PolarHBondContact O-N 3.29Å; R19-S22 VanDerWaalsContact O-N 3.12Å; R19-S22 PolarHBondContact O-OG 2.87Å; R19-F23 PolarHBondContact O-N 3.44Å; R19-F23 VanDerWaalsContact O-N 3.16Å
20	A	50	Low	60	Low	32 Å²	32	95 Å²	95	26%	0.264	45%	0.445	S	S	.	.	H	α-helix	trans	-51.1	-39.9	168.3	0	0	0	0	0	113.1	S22 F23 Q24	A20-S22 PolarHBondContact O-N 3.45Å; A20-F23 PolarHBondContact O-N 3.28Å; A20-Q24 VanDerWaalsContact O-CB 3.24Å; A20-Q24 WeakPolarHBondContact O-CB 3.28Å; A20-Q24 PolarHBondContact O-N 2.89Å
21	P	50.7	Low	61.2	Low	69 Å²	69	95.9 Å²	95.9	45%	0.448	45%	0.45	S	S	.	.	H	α-helix	trans	-66	-36	177.6	-18.7	30.8	0	0	0	113.1	R19 R25	R19-P21 VanDerWaalsContact C-N 3.26Å; P21-R25 WeakPolarHBondContact O-CB 3.48Å; P21-R25 WeakPolarHBondContact O-CD 3.4Å; P21-R25 WeakPolarHBondContact O-CG 3.24Å; P21-R25 PolarHBondContact O-N 3.45Å
22	S	48.8	Very low	62.5	Low	60 Å²	60	95.1 Å²	95.1	42%	0.42	45%	0.45	S	S	.	.	H	α-helix	trans	-72	-35.9	179	49	0	0	0	0	112.8	R19 A20 S26	R19-S22 PolarHBondContact O-N 3.29Å; R19-S22 VanDerWaalsContact O-N 3.12Å; R19-S22 PolarHBondContact O-OG 2.87Å; A20-S22 PolarHBondContact O-N 3.45Å; S22-S26 WeakPolarHBondContact O-CB 3.28Å; S22-S26 PolarHBondContact O-N 3.28Å; S22-S26 PolarHBondContact O-OG 3.48Å
23	F	52.8	Low	64	Low	37 Å²	37	95.6 Å²	95.6	16%	0.162	45%	0.452	C	S	.	.	H	α-helix	trans	-70.3	-47.6	174.9	175.4	-99.7	0	0	0	111.1	E9 R13 R19 A20 R25 S26 F27	E9-F23 HydrophobicContact CB-CD2 3.73Å; E9-F23 HydrophobicContact CB-CE2 3.48Å; E9-F23 VanDerWaalsContact CB-CE2 3.48Å; E9-F23 HydrophobicContact CG-CD2 4.35Å; E9-F23 HydrophobicContact CG-CE2 4.31Å; R13-F23 HydrophobicContact CB-CD1 4.45Å; R19-F23 PolarHBondContact O-N 3.44Å; R19-F23 VanDerWaalsContact O-N 3.16Å; A20-F23 PolarHBondContact O-N 3.28Å; F23-R25 VanDerWaalsContact C-N 3.34Å; F23-R25 PolarHBondContact O-N 3.48Å; F23-S26 PolarHBondContact O-N 3.38Å; F23-F27 AromaticContact CD2-CD2 3.96Å; F23-F27 HydrophobicContact CD2-CD2 3.96Å; F23-F27 HydrophobicContact CD2-CE2 4.05Å; F23-F27 AromaticContact CE2-CD2 3.71Å; F23-F27 HydrophobicContact CE2-CD2 3.71Å; F23-F27 AromaticContact CE2-CE2 3.82Å; F23-F27 HydrophobicContact CE2-CE2 3.82Å; F23-F27 HydrophobicContact CZ-CD2 4.25Å; F23-F27 PolarHBondContact O-N 2.89Å
24	Q	56.5	Low	65.6	Low	96 Å²	96	88.1 Å²	88.1	45%	0.449	42%	0.424	S	S	.	.	H	α-helix	trans	-63	-41.2	177.9	-167.3	167.7	1.2	0	0	111.4	A20 H28	A20-Q24 VanDerWaalsContact O-CB 3.24Å; A20-Q24 WeakPolarHBondContact O-CB 3.28Å; A20-Q24 PolarHBondContact O-N 2.89Å; Q24-H28 WeakPolarHBondContact O-CB 3.48Å; Q24-H28 PolarHBondContact O-N 3.48Å; Q24-H28 VanDerWaalsContact O-N 3.16Å
25	R	59.2	Low	66.9	Low	148 Å²	148	88.3 Å²	88.3	56%	0.558	42%	0.422	S	S	*	.	H	α-helix	trans	-60.1	-45.5	169.3	-75.4	172.8	-176.5	-170.7	1.1	110.9	P21 F23 F27 S539	P21-R25 WeakPolarHBondContact O-CB 3.48Å; P21-R25 WeakPolarHBondContact O-CD 3.4Å; P21-R25 WeakPolarHBondContact O-CG 3.24Å; P21-R25 PolarHBondContact O-N 3.45Å; F23-R25 VanDerWaalsContact C-N 3.34Å; F23-R25 PolarHBondContact O-N 3.48Å; R25-F27 PolarHBondContact O-N 3.49Å; R25-F27 VanDerWaalsContact O-N 3.12Å; R25-S539 WeakPolarHBondContact O-CB 3.22Å; R25-S539 PolarHBondContact O-OG 2.89Å
26	S	59.4	Low	68.3	Low	53 Å²	53	85.9 Å²	85.9	37%	0.371	41%	0.406	S	S	.	.	H	α-helix	trans	-65.3	-18.2	-174.3	-63.3	0	0	0	0	116.1	S22 F23 S539	S22-S26 WeakPolarHBondContact O-CB 3.28Å; S22-S26 PolarHBondContact O-N 3.28Å; S22-S26 PolarHBondContact O-OG 3.48Å; F23-S26 PolarHBondContact O-N 3.38Å; S26-S539 PolarHBondContact O-OG 2.93Å
27	F	65.6	Low	70.4	Confident	88 Å²	88	78.8 Å²	78.8	39%	0.386	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134	17.4	-174.4	-63.5	-77.1	0	0	0	114.2	V4 F23 R25 V29	V4-F27 HydrophobicContact CG1-CZ 4.09Å; F23-F27 AromaticContact CD2-CD2 3.96Å; F23-F27 HydrophobicContact CD2-CD2 3.96Å; F23-F27 HydrophobicContact CD2-CE2 4.05Å; F23-F27 AromaticContact CE2-CD2 3.71Å; F23-F27 HydrophobicContact CE2-CD2 3.71Å; F23-F27 AromaticContact CE2-CE2 3.82Å; F23-F27 HydrophobicContact CE2-CE2 3.82Å; F23-F27 HydrophobicContact CZ-CD2 4.25Å; F23-F27 PolarHBondContact O-N 2.89Å; R25-F27 PolarHBondContact O-N 3.49Å; R25-F27 VanDerWaalsContact O-N 3.12Å; F27-V29 PolarHBondContact O-N 3.09Å
28	H	77.9	Confident	72.4	Confident	20 Å²	20	71.1 Å²	71.1	9%	0.093	34%	0.338	C	S	.	.	S	Bend	trans	-67.2	-22.2	-173.2	60.3	-158.2	0	0	0	114.3	Q24 F33 S539 S582 C584	Q24-H28 WeakPolarHBondContact O-CB 3.48Å; Q24-H28 PolarHBondContact O-N 3.48Å; Q24-H28 VanDerWaalsContact O-N 3.16Å; H28-F33 WeakPolarHBondContact O-CD2 3.46Å; H28-S539 WeakPolarHBondContact NE2-CA 3.32Å; H28-S539 PolarHBondContact NE2-N 3.01Å; H28-S582 WeakPolarHBondContact CB-O 3.37Å; H28-S582 WeakPolarHBondContact ND1-CA 3.4Å; H28-S582 PolarHBondContact ND1-O 3.25Å; H28-C584 WeakPolarHBondContact O-CB 3.47Å; H28-C584 PolarHBondContact O-N 3.28Å
29	V	85.8	Confident	74.8	Confident	3 Å²	3	61.7 Å²	61.7	2%	0.018	31%	0.305	C	S	.	.	S	Bend	trans	-131.4	123.8	-178.1	174.9	0	0	0	0	107.2	F27 I34 F537 Q542 Y543 C584	F27-V29 PolarHBondContact O-N 3.09Å; V29-I34 HydrophobicContact CG1-CD1 3.57Å; V29-I34 HydrophobicContact CG1-CG1 3.86Å; V29-F537 HydrophobicContact CG1-CE1 4.38Å; V29-F537 HydrophobicContact CG1-CZ 4.47Å; V29-F537 HydrophobicContact CG2-CD2 4.09Å; V29-F537 HydrophobicContact CG2-CE2 3.65Å; V29-F537 HydrophobicContact CG2-CZ 3.97Å; V29-Q542 PolarHBondContact O-NE2 2.9Å; V29-Y543 HydrophobicContact CG1-CD2 3.76Å; V29-Y543 HydrophobicContact CG1-CE2 3.69Å; V29-C584 HydrophobicContact CB-CB 4.35Å; V29-C584 HydrophobicContact CG2-CB 3.56Å
30	T	88.5	Confident	77.1	Confident	42 Å²	42	57 Å²	57	26%	0.258	29%	0.29	S	S	.	.			trans	-137.2	162.7	-175.7	60.3	0	0	0	0	110	F33 I34	T30-F33 WeakPolarHBondContact O-CB 3.33Å; T30-F33 PolarHBondContact O-N 3.28Å; T30-F33 WeakPolarHBondContact OG1-CG 3.5Å; T30-I34 PolarHBondContact O-N 2.99Å
31	D	89.2	Confident	79.3	Confident	91 Å²	91	57.2 Å²	57.2	49%	0.487	29%	0.288	S	S	.	.	H	α-helix	trans	-53.9	-44.9	179.3	-65	-46.4	0	0	0	113.3	F33 I34 K35 Y543	D31-F33 VanDerWaalsContact C-N 3.28Å; D31-F33 PolarHBondContact O-N 3.31Å; D31-I34 PolarHBondContact O-N 2.92Å; D31-K35 WeakPolarHBondContact O-CB 3.47Å; D31-K35 VanDerWaalsContact O-CG 3.32Å; D31-K35 WeakPolarHBondContact O-CG 3.41Å; D31-K35 PolarHBondContact O-N 3.04Å; D31-Y543 WeakPolarHBondContact CA-OH 3.46Å; D31-Y543 PolarHBondContact N-OH 2.79Å; D31-Y543 PolarHBondContact OD1-OH 3.03Å
32	P	90.3	Very high	81.5	Confident	73 Å²	73	56.7 Å²	56.7	47%	0.474	28%	0.279	S	S	.	.	H	α-helix	trans	-62.3	-34.8	177.3	-23.8	35.9	0	0	0	113.2	R36	P32-R36 WeakPolarHBondContact O-CB 3.39Å; P32-R36 WeakPolarHBondContact O-CG 3.45Å; P32-R36 PolarHBondContact O-N 3.34Å; P32-R36 VanDerWaalsContact O-N 3.15Å
33	F	91.4	Very high	83.8	Confident	76 Å²	76	54 Å²	54	33%	0.333	26%	0.26	S	S	.	.	H	α-helix	trans	-69	-44.8	176	-75.3	-1.1	0	0	0	111.4	H28 T30 D31 K35 R36 L37 C584 P600	H28-F33 WeakPolarHBondContact O-CD2 3.46Å; T30-F33 WeakPolarHBondContact O-CB 3.33Å; T30-F33 PolarHBondContact O-N 3.28Å; T30-F33 WeakPolarHBondContact OG1-CG 3.5Å; D31-F33 VanDerWaalsContact C-N 3.28Å; D31-F33 PolarHBondContact O-N 3.31Å; F33-K35 VanDerWaalsContact C-N 3.29Å; F33-K35 PolarHBondContact O-N 3.37Å; F33-R36 CarbonylContact O-C 3.53Å; F33-R36 PolarHBondContact O-N 2.87Å; F33-R36 VanDerWaalsContact O-N 3.07Å; F33-L37 PolarHBondContact O-N 3.38Å; F33-C584 HydrophobicContact CB-CB 4.35Å; F33-C584 HydrophobicContact CD2-CB 3.94Å; F33-P600 HydrophobicContact CB-CB 4.25Å; F33-P600 HydrophobicContact CB-CG 3.55Å; F33-P600 HydrophobicContact CD1-CB 4.16Å; F33-P600 HydrophobicContact CD1-CG 4.21Å; F33-P600 HydrophobicContact CD2-CG 4.3Å; F33-P600 HydrophobicContact CG-CB 4.25Å; F33-P600 HydrophobicContact CG-CG 3.79Å
34	I	93.1	Very high	85.9	Confident	4 Å²	4	58 Å²	58	2%	0.021	28%	0.279	C	S	.	.	H	α-helix	trans	-60.6	-39.9	175.3	-64.9	-58.4	0	0	0	111.6	V29 T30 D31 R36 L37 F537 Y543 I555 V564 R565	V29-I34 HydrophobicContact CG1-CD1 3.57Å; V29-I34 HydrophobicContact CG1-CG1 3.86Å; T30-I34 PolarHBondContact O-N 2.99Å; D31-I34 PolarHBondContact O-N 2.92Å; I34-R36 PolarHBondContact O-N 3.3Å; I34-L37 WeakPolarHBondContact O-CB 3.28Å; I34-L37 PolarHBondContact O-N 3.46Å; I34-F537 HydrophobicContact CD1-CD1 3.65Å; I34-F537 HydrophobicContact CD1-CE1 3.29Å; I34-F537 HydrophobicContact CD1-CZ 4.24Å; I34-Y543 HydrophobicContact CD1-CD2 4.17Å; I34-Y543 HydrophobicContact CD1-CE2 4.31Å; I34-Y543 HydrophobicContact CG1-CD1 4.41Å; I34-Y543 HydrophobicContact CG1-CD2 3.96Å; I34-Y543 HydrophobicContact CG1-CE1 4.12Å; I34-Y543 HydrophobicContact CG1-CE2 3.65Å; I34-Y543 HydrophobicContact CG1-CG 4.34Å; I34-I555 HydrophobicContact CG2-CD1 4.42Å; I34-I555 HydrophobicContact CG2-CG2 4.21Å; I34-V564 HydrophobicContact CG2-CG2 3.88Å; I34-R565 VanDerWaalsContact O-CD 3.26Å; I34-R565 WeakPolarHBondContact O-CD 3.37Å; I34-R565 PolarHBondContact O-NH1 3.45Å
35	K	91.1	Very high	87.8	Confident	153 Å²	153	54.9 Å²	54.9	67%	0.665	27%	0.273	S	S	*	.	H	α-helix	trans	-68.4	-18	176	-72.6	177.5	-178.5	-177.9	0	114.4	D31 F33 R565	D31-K35 WeakPolarHBondContact O-CB 3.47Å; D31-K35 VanDerWaalsContact O-CG 3.32Å; D31-K35 WeakPolarHBondContact O-CG 3.41Å; D31-K35 PolarHBondContact O-N 3.04Å; F33-K35 VanDerWaalsContact C-N 3.29Å; F33-K35 PolarHBondContact O-N 3.37Å; K35-R565 PolarHBondContact O-NH1 3.44Å; K35-R565 PolarHBondContact O-NH2 3.01Å
36	R	91.9	Very high	89.6	Confident	63 Å²	63	48.3 Å²	48.3	24%	0.238	25%	0.248	C	C	.	.	H	α-helix	trans	-109.8	-8	177.8	-72.6	169	50	-160.5	-11.4	114.2	P32 F33 I34 G38 R565 P600 R601 E603	P32-R36 WeakPolarHBondContact O-CB 3.39Å; P32-R36 WeakPolarHBondContact O-CG 3.45Å; P32-R36 PolarHBondContact O-N 3.34Å; P32-R36 VanDerWaalsContact O-N 3.15Å; F33-R36 CarbonylContact O-C 3.53Å; F33-R36 PolarHBondContact O-N 2.87Å; F33-R36 VanDerWaalsContact O-N 3.07Å; I34-R36 PolarHBondContact O-N 3.3Å; R36-G38 PolarHBondContact O-N 2.98Å; R36-R565 VanDerWaalsContact N-NH1 3.17Å; R36-P600 HydrophobicContact CB-CB 4.35Å; R36-R601 PolarHBondContact NE-O 2.79Å; R36-R601 PolarHBondContact NH2-O 3.11Å; R36-R601 WeakPolarHBondContact O-CB 3.43Å; R36-R601 WeakPolarHBondContact O-CG 3.42Å; R36-R601 PolarHBondContact O-N 3.17Å; R36-E603 IonicContact CZ-OE1 2.77Å; R36-E603 IonicContact NH1-OE1 3.24Å; R36-E603 PolarHBondContact NH1-OE1 2.76Å
37	L	93.8	Very high	91.5	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-49.1	122.8	174.5	-169.2	71	0	0	0	110.9	F33 I34 F537 F553 I555 R565 L567 W598 N608	F33-L37 PolarHBondContact O-N 3.38Å; I34-L37 WeakPolarHBondContact O-CB 3.28Å; I34-L37 PolarHBondContact O-N 3.46Å; L37-F537 HydrophobicContact CD2-CE1 4.23Å; L37-F553 HydrophobicContact CD2-CE2 4.49Å; L37-I555 HydrophobicContact CD2-CD1 3.72Å; L37-R565 PolarHBondContact O-NH1 3.42Å; L37-R565 PolarHBondContact O-NH2 3.41Å; L37-L567 HydrophobicContact CB-CD1 4.31Å; L37-L567 HydrophobicContact CD2-CD1 3.89Å; L37-L567 HydrophobicContact CG-CD1 4.06Å; L37-W598 HydrophobicContact CD1-CB 4.01Å; L37-W598 HydrophobicContact CG-CB 4.25Å; L37-N608 PolarHBondContact O-ND2 2.95Å
38	G	94.8	Very high	92.9	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	175	178.2	0	0	0	0	0	110.4	R36 E40 W598 N599 N608	R36-G38 PolarHBondContact O-N 2.98Å; G38-E40 PolarHBondContact O-N 2.86Å; G38-W598 WeakPolarHBondContact O-CA 3.26Å; G38-N599 PolarHBondContact N-O 3.08Å; G38-N599 PolarHBondContact O-N 3.23Å; G38-N599 VanDerWaalsContact O-O 3.12Å; G38-N608 VanDerWaalsContact CA-ND2 3.29Å; G38-N608 WeakPolarHBondContact CA-ND2 3.41Å
39	L	95.1	Very high	93.8	Very high	36 Å²	36	49.1 Å²	49.1	19%	0.188	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	124.9	-179.8	-175.2	64.6	0	0	0	109.3	E42 R596 W598 R601 R610	L39-E42 HydrophobicContact CD1-CG 4.4Å; L39-E42 HydrophobicContact CD2-CG 4.2Å; L39-R596 HydrophobicContact CD1-CB 3.87Å; L39-R596 HydrophobicContact CD1-CG 4.19Å; L39-W598 HydrophobicContact CB-CE3 4.25Å; L39-W598 HydrophobicContact CB-CH2 4.28Å; L39-W598 HydrophobicContact CB-CZ3 3.92Å; L39-W598 HydrophobicContact CD1-CH2 4.13Å; L39-W598 HydrophobicContact CD1-CZ2 4.07Å; L39-W598 HydrophobicContact CD1-CZ3 4.43Å; L39-R601 WeakPolarHBondContact O-CD 3.3Å; L39-R601 PolarHBondContact O-NH1 3.38Å; L39-R610 HydrophobicContact CB-CG 4.4Å
40	E	93.7	Very high	94.3	Very high	54 Å²	54	49 Å²	49	25%	0.252	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	-56	171	-179.6	169.7	140	0	0	110.4	G38 H79 F585 L597 N599	G38-E40 PolarHBondContact O-N 2.86Å; E40-H79 IonicContact OE1-CD2 3.52Å; E40-H79 IonicContact OE1-CE1 3.57Å; E40-H79 PolarHBondContact OE1-CE1 3.42Å; E40-H79 IonicContact OE1-NE2 3.42Å; E40-H79 PolarHBondContact OE1-NE2 3.17Å; E40-F585 WeakPolarHBondContact OE2-CE2 3.31Å; E40-L597 HydrophobicContact CB-CB 4.49Å; E40-L597 WeakPolarHBondContact CB-O 3.43Å; E40-L597 PolarHBondContact N-O 2.98Å; E40-N599 HydrophobicContact CB-CB 4.14Å; E40-N599 WeakPolarHBondContact OE2-CB 3.33Å; E40-N599 VanDerWaalsContact OE2-CG 3.29Å; E40-N599 PolarHBondContact OE2-ND2 3.32Å
41	T	95.5	Very high	94.7	Very high	36 Å²	36	47.5 Å²	47.5	22%	0.221	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	160.4	-179.2	-167.5	0	0	0	0	110.9	L43 H79 L597	T41-L43 HydrophobicContact CG2-CD2 3.94Å; T41-H79 HydrophobicContact CG2-CB 4.34Å; T41-H79 WeakPolarHBondContact CG2-CD2 3.41Å; T41-L597 HydrophobicContact CG2-CB 4.05Å; T41-L597 HydrophobicContact CG2-CD1 3.83Å; T41-L597 HydrophobicContact CG2-CG 4.09Å; T41-L597 PolarHBondContact N-O 2.69Å; T41-L597 PolarHBondContact O-N 3.08Å
42	E	96.9	Very high	95.1	Very high	57 Å²	57	43.2 Å²	43.2	27%	0.266	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	130.6	163.9	-51.9	-169.4	151.5	0	0	108.8	L39 V595 R596 R610	L39-E42 HydrophobicContact CD1-CG 4.4Å; L39-E42 HydrophobicContact CD2-CG 4.2Å; E42-V595 CarbonylContact C-O 3.56Å; E42-R596 HydrophobicContact CG-CG 4.12Å; E42-R596 IonicContact OE1-CZ 2.71Å; E42-R596 IonicContact OE1-NE 3.03Å; E42-R596 PolarHBondContact OE1-NE 3.31Å; E42-R596 IonicContact OE1-NH2 3.15Å; E42-R596 PolarHBondContact OE1-NH2 3.15Å; E42-R596 VanDerWaalsContact OE1-NH2 3.09Å; E42-R610 IonicContact OE1-NH2 2.9Å; E42-R610 PolarHBondContact OE1-NH2 3.09Å
43	L	98.1	Very high	95.5	Very high	4 Å²	4	39.8 Å²	39.8	2%	0.021	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	110.2	174	-54.8	-178.3	0	0	0	108.6	T41 W74 H79 V595 L597	T41-L43 HydrophobicContact CG2-CD2 3.94Å; L43-W74 HydrophobicContact CB-CD2 4.3Å; L43-W74 HydrophobicContact CB-CE3 3.91Å; L43-W74 HydrophobicContact CB-CH2 4.05Å; L43-W74 HydrophobicContact CB-CZ2 4.43Å; L43-W74 HydrophobicContact CB-CZ3 3.78Å; L43-W74 HydrophobicContact CD1-CB 4.03Å; L43-W74 HydrophobicContact CD1-CD2 3.79Å; L43-W74 HydrophobicContact CD1-CE3 3.89Å; L43-W74 HydrophobicContact CD1-CG 3.86Å; L43-W74 HydrophobicContact CG-CE3 4.37Å; L43-H79 HydrophobicContact CD2-CB 4.01Å; L43-V595 HydrophobicContact CB-CB 4.17Å; L43-V595 HydrophobicContact CD1-CB 4.35Å; L43-V595 HydrophobicContact CD1-CG1 4.41Å; L43-V595 PolarHBondContact N-O 2.72Å; L43-V595 PolarHBondContact O-N 3.08Å; L43-L597 HydrophobicContact CD1-CD1 4.02Å; L43-L597 HydrophobicContact CD1-CD2 4.25Å; L43-L597 HydrophobicContact CD1-CG 4.17Å; L43-L597 HydrophobicContact CD2-CD1 4.12Å; L43-L597 HydrophobicContact CG-CD1 4.16Å; L43-L597 HydrophobicContact CG-CG 4.19Å
44	Q	97.3	Very high	95.8	Very high	121 Å²	121	37.5 Å²	37.5	57%	0.565	20%	0.199	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-90.5	133.5	-179.2	-66.1	-75.1	-6	0	0	110.4	W74 V594	Q44-W74 WeakPolarHBondContact O-CH2 3.47Å; Q44-V594 VanDerWaalsContact CD-CG1 3.46Å; Q44-V594 VanDerWaalsContact OE1-CG1 3.26Å
45	G	95.6	Very high	95.9	Very high	30 Å²	30	38 Å²	38	31%	0.309	20%	0.201	S	C	.	.			trans	169	-20.5	172.8	0	0	0	0	0	117.4
46	H	98	Very high	96.1	Very high	10 Å²	10	30.8 Å²	30.8	5%	0.046	17%	0.17	C	C	.	.			trans	-83.7	160.4	170.7	-78.1	-65.6	0	0	0	110.9	V50 S64 S66 D68 H70	H46-V50 HydrophobicContact CB-CG2 3.92Å; H46-V50 VanDerWaalsContact CD2-CG2 3.49Å; H46-V50 WeakPolarHBondContact CD2-CG2 3.32Å; H46-S64 PolarHBondContact CD2-OG 2.93Å; H46-S64 PolarHBondContact NE2-OG 3.44Å; H46-S66 VanDerWaalsContact CE1-CB 3.43Å; H46-S66 WeakPolarHBondContact CE1-CB 3.3Å; H46-S66 WeakPolarHBondContact ND1-CB 3.48Å; H46-D68 WeakPolarHBondContact CA-OD2 3.32Å; H46-D68 WeakPolarHBondContact CB-OD2 3.35Å; H46-D68 IonicContact CE1-OD1 2.79Å; H46-D68 IonicContact CE1-OD2 2.76Å; H46-D68 IonicContact CG-OD2 3.02Å; H46-D68 IonicContact ND1-OD1 3.73Å; H46-D68 PolarHBondContact ND1-OD1 3.27Å; H46-D68 IonicContact ND1-OD2 2.74Å; H46-D68 PolarHBondContact ND1-OD2 3.39Å; H46-H70 PolarHBondContact CE1-O 3.03Å
47	T	97.3	Very high	96	Very high	127 Å²	127	34.3 Å²	34.3	78%	0.779	19%	0.189	S	C	*	.	S	Bend	trans	-115.4	2.1	175	59.3	0	0	0	0	113.5	D68	T47-D68 PolarHBondContact N-OD2 3.5Å; T47-D68 VanDerWaalsContact OG1-CB 3.3Å; T47-D68 WeakPolarHBondContact OG1-CB 3.32Å
48	G	96.4	Very high	95.8	Very high	18 Å²	18	41 Å²	41	19%	0.186	22%	0.218	C	C	.	.	S	Bend	trans	-141.6	176.6	174.6	0	0	0	0	0	111.4	S66 P593	G48-S66 VanDerWaalsContact C-OG 3.3Å; G48-S66 PolarHBondContact O-OG 3.29Å; G48-P593 WeakPolarHBondContact O-CA 3.49Å
49	C	95.9	Very high	95.7	Very high	33 Å²	33	41 Å²	41	22%	0.223	22%	0.218	C	C	.	.			trans	-51.4	142.3	-178.1	-44.9	0	0	0	0	111.2	S66 D67 I591	C49-S66 WeakPolarHBondContact O-CA 3.46Å; C49-S66 WeakPolarHBondContact O-CB 3.48Å; C49-S66 PolarHBondContact O-OG 3.22Å; C49-D67 VanDerWaalsContact CB-OD2 3.29Å; C49-D67 WeakPolarHBondContact CB-OD2 3.43Å; C49-D67 PolarHBondContact O-N 3.35Å; C49-D67 PolarHBondContact SG-OD2 2.88Å; C49-I591 PolarHBondContact SG-O 3.12Å; C49-I591 VanDerWaalsContact SG-O 3.38Å
50	V	97.8	Very high	95.6	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	101.6	178	-177.4	0	0	0	0	108.9	H46 L53 S589 G590 V595	H46-V50 HydrophobicContact CB-CG2 3.92Å; H46-V50 VanDerWaalsContact CD2-CG2 3.49Å; H46-V50 WeakPolarHBondContact CD2-CG2 3.32Å; V50-L53 HydrophobicContact CG1-CD2 4.03Å; V50-S589 WeakPolarHBondContact O-CB 3.45Å; V50-S589 PolarHBondContact O-OG 3.23Å; V50-G590 PolarHBondContact N-O 3.4Å; V50-G590 VanDerWaalsContact N-O 3.14Å; V50-V595 HydrophobicContact CG1-CG2 4.02Å
51	N	95.6	Very high	95.8	Very high	11 Å²	11	41.9 Å²	41.9	6%	0.059	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	-3.5	-168.1	-70	-46.1	0	0	0	114.7	G65 D67 I93 F94 I531 C576	N51-G65 PolarHBondContact N-O 2.98Å; N51-G65 VanDerWaalsContact N-O 3.13Å; N51-D67 PolarHBondContact ND2-OD1 3.45Å; N51-I93 WeakPolarHBondContact CB-O 3.38Å; N51-F94 HydrophobicContact CB-CD1 4.23Å; N51-I531 HydrophobicContact CB-CD1 3.83Å; N51-I531 WeakPolarHBondContact OD1-CD1 3.37Å; N51-C576 PolarHBondContact O-SG 3.33Å
52	C	97.2	Very high	95.9	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.007	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	143.5	173.7	56.2	0	0	0	0	112.3	S64 G65 F94 S95 V96	C52-S64 WeakPolarHBondContact O-CA 3.23Å; C52-G65 PolarHBondContact N-O 3.04Å; C52-G65 PolarHBondContact O-N 2.9Å; C52-G65 VanDerWaalsContact SG-CA 3.59Å; C52-F94 WeakPolarHBondContact CB-O 3.43Å; C52-S95 VanDerWaalsContact SG-C 3.55Å; C52-V96 HydrophobicContact CB-CG1 3.99Å
53	L	98.4	Very high	96	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	146.5	176.8	-65.3	176	0	0	0	108.8	V50 L62 A63 C576 Q578 A587 S589 V595	V50-L53 HydrophobicContact CG1-CD2 4.03Å; L53-L62 HydrophobicContact CB-CD1 4.43Å; L53-A63 CarbonylContact C-O 3.6Å; L53-A63 VanDerWaalsContact CA-O 3.31Å; L53-A63 WeakPolarHBondContact CA-O 3.3Å; L53-C576 HydrophobicContact CD1-CB 4.05Å; L53-C576 HydrophobicContact CG-CB 4.15Å; L53-Q578 HydrophobicContact CB-CB 4.28Å; L53-Q578 HydrophobicContact CB-CG 3.64Å; L53-Q578 WeakPolarHBondContact O-CG 3.41Å; L53-A587 HydrophobicContact CD1-CB 4.08Å; L53-S589 WeakPolarHBondContact CD1-OG 3.48Å; L53-V595 HydrophobicContact CD1-CG1 4.13Å; L53-V595 HydrophobicContact CD2-CB 4.49Å; L53-V595 HydrophobicContact CD2-CG1 3.86Å; L53-V595 HydrophobicContact CD2-CG2 3.77Å
54	E	97.7	Very high	96	Very high	28 Å²	28	37.3 Å²	37.3	13%	0.131	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	128.5	172.6	-174.7	72.2	160.8	0	0	111.5	A63 V96 K97 F98	E54-A63 PolarHBondContact N-O 3.33Å; E54-A63 PolarHBondContact O-N 2.83Å; E54-V96 HydrophobicContact CB-CG1 4.14Å; E54-V96 WeakPolarHBondContact CB-O 3.37Å; E54-K97 VanDerWaalsContact CD-CD 3.45Å; E54-K97 HydrophobicContact CG-CD 4Å; E54-K97 WeakPolarHBondContact OE1-CD 3.37Å; E54-K97 IonicContact OE1-NZ 3.7Å; E54-K97 PolarHBondContact OE1-NZ 2.75Å; E54-K97 IonicContact OE2-NZ 2.68Å; E54-K97 PolarHBondContact OE2-NZ 3.01Å; E54-F98 HydrophobicContact CG-CD2 4.08Å
55	W	97	Very high	96.1	Very high	15 Å²	15	31.5 Å²	31.5	6%	0.057	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	140.5	166.8	-67.9	103.8	0	0	0	110.4	G59 L62 P76 Q578 H580 F585 A587	W55-G59 WeakPolarHBondContact CZ3-O 3.47Å; W55-L62 HydrophobicContact CD2-CD1 3.87Å; W55-L62 HydrophobicContact CE3-CB 4.15Å; W55-L62 HydrophobicContact CE3-CD1 4.24Å; W55-L62 HydrophobicContact CG-CD1 4.26Å; W55-L62 HydrophobicContact CH2-CB 4.31Å; W55-L62 HydrophobicContact CH2-CD2 4.44Å; W55-L62 HydrophobicContact CZ2-CD1 4.16Å; W55-L62 HydrophobicContact CZ2-CD2 4.41Å; W55-L62 HydrophobicContact CZ3-CB 4.03Å; W55-P76 HydrophobicContact CH2-CB 3.79Å; W55-P76 HydrophobicContact CH2-CG 3.69Å; W55-P76 HydrophobicContact CZ3-CB 4.01Å; W55-P76 HydrophobicContact CZ3-CG 3.36Å; W55-Q578 PolarHBondContact NE1-O 3.37Å; W55-H580 AromaticContact CE3-CD2 3.78Å; W55-H580 AromaticContact CH2-CD2 3.89Å; W55-H580 HydrophobicContact CZ2-CB 4.32Å; W55-H580 AromaticContact CZ3-CD2 3.63Å; W55-F585 AromaticContact CH2-CD1 3.75Å; W55-F585 HydrophobicContact CH2-CD1 3.75Å; W55-F585 AromaticContact CH2-CE1 3.69Å; W55-F585 HydrophobicContact CH2-CE1 3.69Å; W55-F585 AromaticContact CZ2-CD1 3.81Å; W55-F585 HydrophobicContact CZ2-CD1 3.81Å; W55-F585 HydrophobicContact CZ2-CE1 4.03Å; W55-A587 HydrophobicContact CZ2-CB 3.85Å
56	N	95.1	Very high	96.2	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.011	16%	0.159	C	C	.	.			trans	-68.1	167.6	164.1	77.8	-30.9	0	0	0	111	K58 G59 D60 L61 F98 D104	N56-K58 PolarHBondContact O-N 2.88Å; N56-K58 VanDerWaalsContact O-N 3.11Å; N56-G59 PolarHBondContact O-N 3.43Å; N56-G59 WeakPolarHBondContact OD1-CA 3.45Å; N56-G59 PolarHBondContact OD1-N 3.32Å; N56-D60 PolarHBondContact ND2-OD1 3.18Å; N56-D60 PolarHBondContact OD1-N 3.23Å; N56-D60 PolarHBondContact OD1-OD1 3.37Å; N56-L61 HydrophobicContact CB-CB 4.19Å; N56-L61 PolarHBondContact N-O 3.42Å; N56-L61 PolarHBondContact OD1-N 3.2Å; N56-L61 PolarHBondContact OD1-O 3.21Å; N56-F98 HydrophobicContact CB-CD1 4.43Å; N56-F98 HydrophobicContact CB-CD2 3.81Å; N56-F98 HydrophobicContact CB-CE1 4.43Å; N56-F98 HydrophobicContact CB-CE2 3.82Å; N56-F98 HydrophobicContact CB-CG 4.13Å; N56-F98 HydrophobicContact CB-CZ 4.13Å; N56-D104 WeakPolarHBondContact CB-OD1 3.33Å; N56-D104 VanDerWaalsContact ND2-CG 3.25Å; N56-D104 PolarHBondContact ND2-OD1 2.98Å; N56-D104 PolarHBondContact ND2-OD2 3.35Å; N56-D104 VanDerWaalsContact ND2-OD2 3.1Å
57	E	89.4	Confident	96.2	Very high	137 Å²	137	31.5 Å²	31.5	64%	0.64	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-32.6	-173.4	-168.9	-176.9	167.7	0	0	112.9
58	K	89.1	Confident	96.2	Very high	139 Å²	139	26.6 Å²	26.6	60%	0.604	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-24.7	178.1	-65.4	174.9	-170.7	156.4	0	113.3	N56 D60 D104	N56-K58 PolarHBondContact O-N 2.88Å; N56-K58 VanDerWaalsContact O-N 3.11Å; K58-D60 VanDerWaalsContact C-N 3.34Å; K58-D60 WeakPolarHBondContact CB-OD1 3.32Å; K58-D104 IonicContact NZ-OD2 2.73Å
59	G	92.2	Very high	96.3	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.01	14%	0.141	C	C	.	.	S	Bend	trans	79.1	9.4	-174.7	0	0	0	0	0	114.8	W55 N56 F77 H580	W55-G59 WeakPolarHBondContact CZ3-O 3.47Å; N56-G59 PolarHBondContact O-N 3.43Å; N56-G59 WeakPolarHBondContact OD1-CA 3.45Å; N56-G59 PolarHBondContact OD1-N 3.32Å; G59-F77 WeakPolarHBondContact O-CE2 3.47Å; G59-H580 VanDerWaalsContact CA-NE2 3.33Å; G59-H580 WeakPolarHBondContact CA-NE2 3.45Å; G59-H580 PolarHBondContact O-CD2 2.97Å; G59-H580 PolarHBondContact O-NE2 3.01Å
60	D	94	Very high	96.3	Very high	71 Å²	71	29.7 Å²	29.7	38%	0.38	14%	0.142	S	C	.	.	S	Bend	trans	-87.2	-13	176.3	59.6	-13.1	0	0	0	113.7	N56 K58 P76	N56-D60 PolarHBondContact ND2-OD1 3.18Å; N56-D60 PolarHBondContact OD1-N 3.23Å; N56-D60 PolarHBondContact OD1-OD1 3.37Å; K58-D60 VanDerWaalsContact C-N 3.34Å; K58-D60 WeakPolarHBondContact CB-OD1 3.32Å; D60-P76 VanDerWaalsContact O-CD 3.24Å; D60-P76 WeakPolarHBondContact O-CD 3.04Å
61	L	97.2	Very high	96.4	Very high	38 Å²	38	29.9 Å²	29.9	20%	0.199	14%	0.143	C	C	.	.			trans	-124.1	141.8	174.3	-59.2	176.3	0	0	0	110.9	N56 I73 L82 F98 D104	N56-L61 HydrophobicContact CB-CB 4.19Å; N56-L61 PolarHBondContact N-O 3.42Å; N56-L61 PolarHBondContact OD1-N 3.2Å; N56-L61 PolarHBondContact OD1-O 3.21Å; L61-I73 HydrophobicContact CB-CG2 4.43Å; L61-I73 HydrophobicContact CD1-CG2 4.5Å; L61-I73 HydrophobicContact CD2-CG2 4.25Å; L61-L82 HydrophobicContact CD2-CD1 3.48Å; L61-L82 VanDerWaalsContact CD2-CD1 3.48Å; L61-F98 HydrophobicContact CB-CZ 4.33Å; L61-D104 HydrophobicContact CD1-CB 4.09Å
62	L	98.5	Very high	96.5	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	129.8	170.7	-179.3	66.8	0	0	0	108.8	L53 W55 I73 W74 P76 A587 V595 L597	L53-L62 HydrophobicContact CB-CD1 4.43Å; W55-L62 HydrophobicContact CD2-CD1 3.87Å; W55-L62 HydrophobicContact CE3-CB 4.15Å; W55-L62 HydrophobicContact CE3-CD1 4.24Å; W55-L62 HydrophobicContact CG-CD1 4.26Å; W55-L62 HydrophobicContact CH2-CB 4.31Å; W55-L62 HydrophobicContact CH2-CD2 4.44Å; W55-L62 HydrophobicContact CZ2-CD1 4.16Å; W55-L62 HydrophobicContact CZ2-CD2 4.41Å; W55-L62 HydrophobicContact CZ3-CB 4.03Å; L62-I73 WeakPolarHBondContact O-CA 3.42Å; L62-W74 HydrophobicContact CB-CB 4.33Å; L62-W74 PolarHBondContact N-O 3.47Å; L62-W74 VanDerWaalsContact O-CD1 3.27Å; L62-W74 PolarHBondContact O-N 3.38Å; L62-P76 HydrophobicContact CB-CG 4.36Å; L62-A587 HydrophobicContact CD1-CB 4.18Å; L62-A587 HydrophobicContact CD2-CB 3.71Å; L62-V595 HydrophobicContact CD2-CG1 3.83Å; L62-L597 HydrophobicContact CD2-CD2 4.02Å
63	A	98.5	Very high	96.5	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	142.2	170.6	0	0	0	0	0	110.2	L53 E54 I72 I73 V96 F98 L107	L53-A63 CarbonylContact C-O 3.6Å; L53-A63 VanDerWaalsContact CA-O 3.31Å; L53-A63 WeakPolarHBondContact CA-O 3.3Å; E54-A63 PolarHBondContact N-O 3.33Å; E54-A63 PolarHBondContact O-N 2.83Å; A63-I72 CarbonylContact C-O 3.59Å; A63-I72 WeakPolarHBondContact CA-O 3.2Å; A63-I73 HydrophobicContact CB-CD1 3.69Å; A63-V96 HydrophobicContact CB-CG1 4.41Å; A63-V96 HydrophobicContact CB-CG2 3.97Å; A63-F98 HydrophobicContact CB-CD2 4.49Å; A63-F98 HydrophobicContact CB-CE2 3.63Å; A63-F98 HydrophobicContact CB-CZ 3.86Å; A63-L107 HydrophobicContact CB-CD1 4.05Å
64	S	98.6	Very high	96.5	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	146.7	170.8	61	0	0	0	0	111.3	H46 C52 A71 I72 W74	H46-S64 PolarHBondContact CD2-OG 2.93Å; H46-S64 PolarHBondContact NE2-OG 3.44Å; C52-S64 WeakPolarHBondContact O-CA 3.23Å; S64-A71 CarbonylContact O-C 3.56Å; S64-A71 WeakPolarHBondContact O-CA 3.47Å; S64-I72 PolarHBondContact N-O 3.43Å; S64-I72 PolarHBondContact O-N 3.05Å; S64-W74 PolarHBondContact OG-NE1 3.36Å
65	G	98.2	Very high	96.5	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	143.6	171.1	0	0	0	0	0	111.1	N51 C52	N51-G65 PolarHBondContact N-O 2.98Å; N51-G65 VanDerWaalsContact N-O 3.13Å; C52-G65 PolarHBondContact N-O 3.04Å; C52-G65 PolarHBondContact O-N 2.9Å; C52-G65 VanDerWaalsContact SG-CA 3.59Å
66	S	98.1	Very high	96.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	167.3	-167.6	173.2	0	0	0	0	113.5	H46 G48 C49 D68 Q69 H70 I93	H46-S66 VanDerWaalsContact CE1-CB 3.43Å; H46-S66 WeakPolarHBondContact CE1-CB 3.3Å; H46-S66 WeakPolarHBondContact ND1-CB 3.48Å; G48-S66 VanDerWaalsContact C-OG 3.3Å; G48-S66 PolarHBondContact O-OG 3.29Å; C49-S66 WeakPolarHBondContact O-CA 3.46Å; C49-S66 WeakPolarHBondContact O-CB 3.48Å; C49-S66 PolarHBondContact O-OG 3.22Å; S66-D68 VanDerWaalsContact CB-OD1 3.31Å; S66-D68 WeakPolarHBondContact CB-OD1 3.43Å; S66-D68 PolarHBondContact O-N 3.05Å; S66-D68 PolarHBondContact OG-N 3.34Å; S66-D68 PolarHBondContact OG-OD1 2.88Å; S66-Q69 PolarHBondContact O-N 3.05Å; S66-H70 PolarHBondContact N-O 2.98Å; S66-I93 PolarHBondContact O-N 3.39Å
67	D	97.3	Very high	96.4	Very high	39 Å²	39	33 Å²	33	21%	0.209	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-21.9	167.6	-68.5	-5.1	0	0	0	113.1	C49 N51 Q69 N92	C49-D67 VanDerWaalsContact CB-OD2 3.29Å; C49-D67 WeakPolarHBondContact CB-OD2 3.43Å; C49-D67 PolarHBondContact O-N 3.35Å; C49-D67 PolarHBondContact SG-OD2 2.88Å; N51-D67 PolarHBondContact ND2-OD1 3.45Å; D67-Q69 PolarHBondContact O-N 3.16Å; D67-Q69 VanDerWaalsContact O-N 3.12Å; D67-N92 VanDerWaalsContact CG-CG 3.4Å; D67-N92 WeakPolarHBondContact OD1-CB 3.1Å; D67-N92 PolarHBondContact OD1-ND2 3.3Å; D67-N92 PolarHBondContact OD2-ND2 3.27Å
68	D	97.8	Very high	96.6	Very high	25 Å²	25	34.9 Å²	34.9	13%	0.134	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	6.3	175.2	70.4	15.3	0	0	0	114.3	H46 T47 S66 H70	H46-D68 WeakPolarHBondContact CA-OD2 3.32Å; H46-D68 WeakPolarHBondContact CB-OD2 3.35Å; H46-D68 IonicContact CE1-OD1 2.79Å; H46-D68 IonicContact CE1-OD2 2.76Å; H46-D68 IonicContact CG-OD2 3.02Å; H46-D68 IonicContact ND1-OD1 3.73Å; H46-D68 PolarHBondContact ND1-OD1 3.27Å; H46-D68 IonicContact ND1-OD2 2.74Å; H46-D68 PolarHBondContact ND1-OD2 3.39Å; T47-D68 PolarHBondContact N-OD2 3.5Å; T47-D68 VanDerWaalsContact OG1-CB 3.3Å; T47-D68 WeakPolarHBondContact OG1-CB 3.32Å; S66-D68 VanDerWaalsContact CB-OD1 3.31Å; S66-D68 WeakPolarHBondContact CB-OD1 3.43Å; S66-D68 PolarHBondContact O-N 3.05Å; S66-D68 PolarHBondContact OG-N 3.34Å; S66-D68 PolarHBondContact OG-OD1 2.88Å; D68-H70 PolarHBondContact O-CE1 3.43Å; D68-H70 PolarHBondContact O-N 3.27Å; D68-H70 PolarHBondContact O-ND1 3.16Å; D68-H70 WeakPolarHBondContact OD1-CA 3.11Å; D68-H70 VanDerWaalsContact OD1-CB 3.29Å; D68-H70 WeakPolarHBondContact OD1-CB 3.46Å; D68-H70 IonicContact OD1-CG 3.72Å; D68-H70 PolarHBondContact OD1-N 3.18Å; D68-H70 IonicContact OD1-ND1 3.27Å
69	Q	97.8	Very high	97	Very high	61 Å²	61	32.2 Å²	32.2	29%	0.285	15%	0.148	S	C	.	.	S	Bend	trans	67	8.6	179.2	-52.9	166.7	7.7	0	0	114.4	S66 D67 T87 H89 A90	S66-Q69 PolarHBondContact O-N 3.05Å; D67-Q69 PolarHBondContact O-N 3.16Å; D67-Q69 VanDerWaalsContact O-N 3.12Å; Q69-T87 PolarHBondContact O-N 3.5Å; Q69-T87 PolarHBondContact O-OG1 2.95Å; Q69-H89 WeakPolarHBondContact CG-O 3.48Å; Q69-H89 PolarHBondContact OE1-O 2.82Å; Q69-H89 VanDerWaalsContact OE1-O 3.13Å; Q69-A90 PolarHBondContact NE2-O 3.35Å
70	H	97.8	Very high	97.2	Very high	55 Å²	55	38.2 Å²	38.2	26%	0.255	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	151.2	177	-64.1	70.3	0	0	0	112.1	H46 S66 D68 T84 M85 H86 I93	H46-H70 PolarHBondContact CE1-O 3.03Å; S66-H70 PolarHBondContact N-O 2.98Å; D68-H70 PolarHBondContact O-CE1 3.43Å; D68-H70 PolarHBondContact O-N 3.27Å; D68-H70 PolarHBondContact O-ND1 3.16Å; D68-H70 WeakPolarHBondContact OD1-CA 3.11Å; D68-H70 VanDerWaalsContact OD1-CB 3.29Å; D68-H70 WeakPolarHBondContact OD1-CB 3.46Å; D68-H70 IonicContact OD1-CG 3.72Å; D68-H70 PolarHBondContact OD1-N 3.18Å; D68-H70 IonicContact OD1-ND1 3.27Å; H70-T84 HydrophobicContact CB-CG2 4.37Å; H70-M85 VanDerWaalsContact CA-O 3.31Å; H70-M85 WeakPolarHBondContact CA-O 3.48Å; H70-H86 AromaticContact CE1-CD2 3.54Å; H70-H86 AromaticContact NE2-CD2 3.64Å; H70-I93 WeakPolarHBondContact O-CD1 3.47Å
71	A	98	Very high	97.3	Very high	3 Å²	3	40 Å²	40	3%	0.025	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	138.7	161.1	0	0	0	0	0	109.1	S64 M85 T87 L107	S64-A71 CarbonylContact O-C 3.56Å; S64-A71 WeakPolarHBondContact O-CA 3.47Å; A71-M85 HydrophobicContact CB-CE 4.44Å; A71-M85 PolarHBondContact N-O 2.9Å; A71-M85 PolarHBondContact O-N 3.46Å; A71-T87 HydrophobicContact CB-CG2 3.7Å; A71-L107 HydrophobicContact CB-CD2 4.07Å
72	I	98.4	Very high	97.3	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	134.8	176	-59	178	0	0	0	109.7	A63 S64 W74 K81 T83 T84	A63-I72 CarbonylContact C-O 3.59Å; A63-I72 WeakPolarHBondContact CA-O 3.2Å; S64-I72 PolarHBondContact N-O 3.43Å; S64-I72 PolarHBondContact O-N 3.05Å; I72-W74 HydrophobicContact CB-CZ2 3.81Å; I72-W74 HydrophobicContact CD1-CH2 4.12Å; I72-W74 HydrophobicContact CD1-CZ2 3.77Å; I72-W74 HydrophobicContact CG1-CZ2 4.39Å; I72-W74 HydrophobicContact CG2-CD2 3.69Å; I72-W74 HydrophobicContact CG2-CE3 4.15Å; I72-W74 HydrophobicContact CG2-CG 4.26Å; I72-W74 HydrophobicContact CG2-CH2 3.93Å; I72-W74 HydrophobicContact CG2-CZ2 3.42Å; I72-W74 VanDerWaalsContact CG2-CZ2 3.42Å; I72-W74 HydrophobicContact CG2-CZ3 4.26Å; I72-K81 HydrophobicContact CD1-CD 4.17Å; I72-K81 HydrophobicContact CG2-CD 3.87Å; I72-K81 HydrophobicContact CG2-CG 3.58Å; I72-T83 WeakPolarHBondContact CA-O 3.47Å; I72-T83 WeakPolarHBondContact CG2-O 2.98Å; I72-T84 HydrophobicContact CG1-CG2 4.15Å
73	I	98.3	Very high	97.1	Very high	10 Å²	10	43.5 Å²	43.5	5%	0.051	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	127.8	170.5	-50.7	-57.8	0	0	0	108.6	L61 L62 A63 L82 T83 F98 L107 L121	L61-I73 HydrophobicContact CB-CG2 4.43Å; L61-I73 HydrophobicContact CD1-CG2 4.5Å; L61-I73 HydrophobicContact CD2-CG2 4.25Å; L62-I73 WeakPolarHBondContact O-CA 3.42Å; A63-I73 HydrophobicContact CB-CD1 3.69Å; I73-L82 HydrophobicContact CG2-CD1 4.42Å; I73-L82 WeakPolarHBondContact O-CB 3.36Å; I73-L82 PolarHBondContact O-N 2.9Å; I73-T83 PolarHBondContact N-O 2.98Å; I73-T83 PolarHBondContact O-N 3.2Å; I73-F98 HydrophobicContact CD1-CZ 4.12Å; I73-L107 HydrophobicContact CD1-CD2 4.3Å; I73-L121 HydrophobicContact CD1-CD1 3.97Å; I73-L121 HydrophobicContact CD1-CD2 4.3Å; I73-L121 HydrophobicContact CG1-CD1 4.04Å; I73-L121 HydrophobicContact CG1-CD2 4.04Å
74	W	98.4	Very high	97	Very high	4 Å²	4	46.3 Å²	46.3	2%	0.015	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	146.2	-175.7	-50.3	91.8	0	0	0	111.2	L43 Q44 L62 S64 I72 P76 K80 K81	L43-W74 HydrophobicContact CB-CD2 4.3Å; L43-W74 HydrophobicContact CB-CE3 3.91Å; L43-W74 HydrophobicContact CB-CH2 4.05Å; L43-W74 HydrophobicContact CB-CZ2 4.43Å; L43-W74 HydrophobicContact CB-CZ3 3.78Å; L43-W74 HydrophobicContact CD1-CB 4.03Å; L43-W74 HydrophobicContact CD1-CD2 3.79Å; L43-W74 HydrophobicContact CD1-CE3 3.89Å; L43-W74 HydrophobicContact CD1-CG 3.86Å; L43-W74 HydrophobicContact CG-CE3 4.37Å; Q44-W74 WeakPolarHBondContact O-CH2 3.47Å; L62-W74 HydrophobicContact CB-CB 4.33Å; L62-W74 PolarHBondContact N-O 3.47Å; L62-W74 VanDerWaalsContact O-CD1 3.27Å; L62-W74 PolarHBondContact O-N 3.38Å; S64-W74 PolarHBondContact OG-NE1 3.36Å; I72-W74 HydrophobicContact CB-CZ2 3.81Å; I72-W74 HydrophobicContact CD1-CH2 4.12Å; I72-W74 HydrophobicContact CD1-CZ2 3.77Å; I72-W74 HydrophobicContact CG1-CZ2 4.39Å; I72-W74 HydrophobicContact CG2-CD2 3.69Å; I72-W74 HydrophobicContact CG2-CE3 4.15Å; I72-W74 HydrophobicContact CG2-CG 4.26Å; I72-W74 HydrophobicContact CG2-CH2 3.93Å; I72-W74 HydrophobicContact CG2-CZ2 3.42Å; I72-W74 VanDerWaalsContact CG2-CZ2 3.42Å; I72-W74 HydrophobicContact CG2-CZ3 4.26Å; W74-P76 WeakPolarHBondContact O-CD 3.3Å; W74-K80 WeakPolarHBondContact CA-O 3.37Å; W74-K81 HydrophobicContact CE3-CB 3.99Å; W74-K81 HydrophobicContact CE3-CG 4.36Å; W74-K81 HydrophobicContact CH2-CD 4.31Å; W74-K81 HydrophobicContact CZ3-CB 3.8Å; W74-K81 HydrophobicContact CZ3-CD 4.23Å; W74-K81 HydrophobicContact CZ3-CG 4.12Å
75	D	97.3	Very high	96.9	Very high	19 Å²	19	46.8 Å²	46.8	10%	0.102	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	101.7	155.3	-177.8	-27.9	0	0	0	106.7	F77 R78 H79 K80 L82	D75-F77 VanDerWaalsContact C-N 3.29Å; D75-F77 PolarHBondContact O-N 3.3Å; D75-F77 PolarHBondContact OD1-N 3.21Å; D75-R78 HydrophobicContact CB-CB 4.33Å; D75-R78 PolarHBondContact OD1-N 3.33Å; D75-R78 WeakPolarHBondContact OD2-CD 3.47Å; D75-R78 VanDerWaalsContact OD2-CG 3.25Å; D75-R78 WeakPolarHBondContact OD2-CG 3.44Å; D75-R78 IonicContact OD2-CZ 3.57Å; D75-R78 IonicContact OD2-NE 2.82Å; D75-R78 IonicContact OD2-NH1 3.6Å; D75-H79 WeakPolarHBondContact O-CA 3.44Å; D75-H79 PolarHBondContact O-N 3.09Å; D75-K80 HydrophobicContact CB-CB 4.34Å; D75-K80 PolarHBondContact N-O 2.93Å; D75-K80 PolarHBondContact O-N 3.37Å; D75-L82 HydrophobicContact CB-CD1 3.95Å; D75-L82 HydrophobicContact CB-CD2 3.93Å; D75-L82 HydrophobicContact CB-CG 3.92Å
76	P	95.1	Very high	96.8	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-19.2	-171.9	22.9	-20	0	0	0	112.5	W55 D60 L62 W74 H79 F585 L597	W55-P76 HydrophobicContact CH2-CB 3.79Å; W55-P76 HydrophobicContact CH2-CG 3.69Å; W55-P76 HydrophobicContact CZ3-CB 4.01Å; W55-P76 HydrophobicContact CZ3-CG 3.36Å; D60-P76 VanDerWaalsContact O-CD 3.24Å; D60-P76 WeakPolarHBondContact O-CD 3.04Å; L62-P76 HydrophobicContact CB-CG 4.36Å; W74-P76 WeakPolarHBondContact O-CD 3.3Å; P76-H79 PolarHBondContact O-CD2 3.5Å; P76-F585 HydrophobicContact CB-CE1 4.36Å; P76-L597 HydrophobicContact CB-CD1 3.83Å; P76-L597 VanDerWaalsContact O-CD1 3.25Å; P76-L597 WeakPolarHBondContact O-CD1 3.24Å
77	F	93.8	Very high	96.7	Very high	89 Å²	89	51.5 Å²	51.5	39%	0.39	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-24.1	-179.5	-59	-67	0	0	0	112.6	G59 D75 H580 Y583	G59-F77 WeakPolarHBondContact O-CE2 3.47Å; D75-F77 VanDerWaalsContact C-N 3.29Å; D75-F77 PolarHBondContact O-N 3.3Å; D75-F77 PolarHBondContact OD1-N 3.21Å; F77-H580 AromaticContact CZ-NE2 3.84Å; F77-Y583 HydrophobicContact CE1-CD2 4.23Å; F77-Y583 HydrophobicContact CE1-CE2 4.35Å; F77-Y583 AromaticContact CZ-CD2 3.89Å; F77-Y583 HydrophobicContact CZ-CD2 3.89Å; F77-Y583 AromaticContact CZ-CE2 3.81Å; F77-Y583 HydrophobicContact CZ-CE2 3.81Å
78	R	94.9	Very high	96.7	Very high	178 Å²	178	51.7 Å²	51.7	67%	0.672	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	-0.9	170.4	-58.7	-172.3	-176.9	150.3	-7.8	113.1	D75 K80	D75-R78 HydrophobicContact CB-CB 4.33Å; D75-R78 PolarHBondContact OD1-N 3.33Å; D75-R78 WeakPolarHBondContact OD2-CD 3.47Å; D75-R78 VanDerWaalsContact OD2-CG 3.25Å; D75-R78 WeakPolarHBondContact OD2-CG 3.44Å; D75-R78 IonicContact OD2-CZ 3.57Å; D75-R78 IonicContact OD2-NE 2.82Å; D75-R78 IonicContact OD2-NH1 3.6Å; R78-K80 HydrophobicContact CB-CB 4.45Å; R78-K80 HydrophobicContact CB-CD 4.28Å; R78-K80 HydrophobicContact CB-CG 4.28Å; R78-K80 WeakPolarHBondContact O-CG 3.23Å; R78-K80 PolarHBondContact O-N 3.27Å
79	H	96.6	Very high	96.7	Very high	82 Å²	82	50.6 Å²	50.6	38%	0.38	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	38.7	-176.2	-44.1	132.1	0	0	0	112.3	E40 T41 L43 D75 P76	E40-H79 IonicContact OE1-CD2 3.52Å; E40-H79 IonicContact OE1-CE1 3.57Å; E40-H79 PolarHBondContact OE1-CE1 3.42Å; E40-H79 IonicContact OE1-NE2 3.42Å; E40-H79 PolarHBondContact OE1-NE2 3.17Å; T41-H79 HydrophobicContact CG2-CB 4.34Å; T41-H79 WeakPolarHBondContact CG2-CD2 3.41Å; L43-H79 HydrophobicContact CD2-CB 4.01Å; D75-H79 WeakPolarHBondContact O-CA 3.44Å; D75-H79 PolarHBondContact O-N 3.09Å; P76-H79 PolarHBondContact O-CD2 3.5Å
80	K	96.3	Very high	96.7	Very high	128 Å²	128	51.1 Å²	51.1	56%	0.557	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.7	138.2	-174.2	-79.4	-178.8	-176.3	-172.8	0	112	W74 D75 R78 L82	W74-K80 WeakPolarHBondContact CA-O 3.37Å; D75-K80 HydrophobicContact CB-CB 4.34Å; D75-K80 PolarHBondContact N-O 2.93Å; D75-K80 PolarHBondContact O-N 3.37Å; R78-K80 HydrophobicContact CB-CB 4.45Å; R78-K80 HydrophobicContact CB-CD 4.28Å; R78-K80 HydrophobicContact CB-CG 4.28Å; R78-K80 WeakPolarHBondContact O-CG 3.23Å; R78-K80 PolarHBondContact O-N 3.27Å; K80-L82 PolarHBondContact O-N 3.34Å
81	K	96.9	Very high	96.7	Very high	109 Å²	109	49.8 Å²	49.8	47%	0.474	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	116.8	164.2	-170.8	165.1	72.9	174.1	0	109.4	I72 W74 T84	I72-K81 HydrophobicContact CD1-CD 4.17Å; I72-K81 HydrophobicContact CG2-CD 3.87Å; I72-K81 HydrophobicContact CG2-CG 3.58Å; W74-K81 HydrophobicContact CE3-CB 3.99Å; W74-K81 HydrophobicContact CE3-CG 4.36Å; W74-K81 HydrophobicContact CH2-CD 4.31Å; W74-K81 HydrophobicContact CZ3-CB 3.8Å; W74-K81 HydrophobicContact CZ3-CD 4.23Å; W74-K81 HydrophobicContact CZ3-CG 4.12Å; K81-T84 VanDerWaalsContact CD-OG1 3.28Å; K81-T84 WeakPolarHBondContact CD-OG1 3.34Å
82	L	96.3	Very high	96.6	Very high	85 Å²	85	52.3 Å²	52.3	45%	0.445	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	-49.6	-179.3	-63.9	178.2	0	0	0	111.6	L61 I73 D75 K80	L61-L82 HydrophobicContact CD2-CD1 3.48Å; L61-L82 VanDerWaalsContact CD2-CD1 3.48Å; I73-L82 HydrophobicContact CG2-CD1 4.42Å; I73-L82 WeakPolarHBondContact O-CB 3.36Å; I73-L82 PolarHBondContact O-N 2.9Å; D75-L82 HydrophobicContact CB-CD1 3.95Å; D75-L82 HydrophobicContact CB-CD2 3.93Å; D75-L82 HydrophobicContact CB-CG 3.92Å; K80-L82 PolarHBondContact O-N 3.34Å
83	T	95.1	Very high	96.6	Very high	25 Å²	25	52.3 Å²	52.3	15%	0.153	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	135.2	-178	-65.2	0	0	0	0	109.7	I72 I73 K124	I72-T83 WeakPolarHBondContact CA-O 3.47Å; I72-T83 WeakPolarHBondContact CG2-O 2.98Å; I73-T83 PolarHBondContact N-O 2.98Å; I73-T83 PolarHBondContact O-N 3.2Å; T83-K124 HydrophobicContact CG2-CD 4.02Å; T83-K124 HydrophobicContact CG2-CG 4.28Å
84	T	96.3	Very high	96.6	Very high	60 Å²	60	52.5 Å²	52.5	37%	0.368	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	132.2	165.4	-60	0	0	0	0	107.5	H70 I72 K81	H70-T84 HydrophobicContact CB-CG2 4.37Å; I72-T84 HydrophobicContact CG1-CG2 4.15Å; K81-T84 VanDerWaalsContact CD-OG1 3.28Å; K81-T84 WeakPolarHBondContact CD-OG1 3.34Å
85	M	95.6	Very high	96.5	Very high	9 Å²	9	52.3 Å²	52.3	4%	0.044	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	126.6	-176.5	-178.8	179.3	70.5	0	0	109.5	H70 A71 T87 H119 L121	H70-M85 VanDerWaalsContact CA-O 3.31Å; H70-M85 WeakPolarHBondContact CA-O 3.48Å; A71-M85 HydrophobicContact CB-CE 4.44Å; A71-M85 PolarHBondContact N-O 2.9Å; A71-M85 PolarHBondContact O-N 3.46Å; M85-T87 PolarHBondContact O-N 3.47Å; M85-H119 HydrophobicContact CE-CB 3.42Å; M85-H119 VanDerWaalsContact CE-CB 3.42Å; M85-H119 HydrophobicContact SD-CB 4.01Å; M85-L121 HydrophobicContact CE-CD2 4.14Å; M85-L121 HydrophobicContact SD-CD2 4.29Å
86	H	96.3	Very high	96.6	Very high	99 Å²	99	51.5 Å²	51.5	46%	0.458	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	120.6	168.2	-171.6	-74.5	0	0	0	108.1	H70 G88	H70-H86 AromaticContact CE1-CD2 3.54Å; H70-H86 AromaticContact NE2-CD2 3.64Å; H86-G88 VanDerWaalsContact C-N 3.26Å; H86-G88 PolarHBondContact ND1-N 3.2Å; H86-G88 PolarHBondContact O-N 3.41Å
87	T	96.9	Very high	96.7	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.271	C	S	.	.			trans	-79.3	-11.3	-171.6	61.9	0	0	0	0	113.6	Q69 A71 M85 H89 I93 T109 H117 H119 T126	Q69-T87 PolarHBondContact O-N 3.5Å; Q69-T87 PolarHBondContact O-OG1 2.95Å; A71-T87 HydrophobicContact CB-CG2 3.7Å; M85-T87 PolarHBondContact O-N 3.47Å; T87-H89 PolarHBondContact O-N 2.81Å; T87-H89 WeakPolarHBondContact OG1-CB 3.45Å; T87-H89 PolarHBondContact OG1-CD2 3.29Å; T87-H89 VanDerWaalsContact OG1-CD2 3.26Å; T87-H89 PolarHBondContact OG1-N 2.95Å; T87-I93 HydrophobicContact CG2-CD1 3.65Å; T87-T109 HydrophobicContact CG2-CG2 4.4Å; T87-H117 PolarHBondContact O-ND1 3.26Å; T87-H119 PolarHBondContact O-CE1 3.35Å; T87-H119 VanDerWaalsContact O-CE1 3.32Å; T87-T126 PolarHBondContact O-OG1 3.04Å
88	G	96.8	Very high	96.9	Very high	43 Å²	43	49 Å²	49	44%	0.443	26%	0.255	S	S	.	.			trans	78	-0.7	-173.2	0	0	0	0	0	113.5	H86	H86-G88 VanDerWaalsContact C-N 3.26Å; H86-G88 PolarHBondContact ND1-N 3.2Å; H86-G88 PolarHBondContact O-N 3.41Å
89	H	98.1	Very high	96.9	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.009	23%	0.225	C	C	.	.			trans	-66.9	148.6	169.4	-74.1	-62.2	0	0	0	110.9	Q69 T87 T109 A111 D113 K115 H117	Q69-H89 WeakPolarHBondContact CG-O 3.48Å; Q69-H89 PolarHBondContact OE1-O 2.82Å; Q69-H89 VanDerWaalsContact OE1-O 3.13Å; T87-H89 PolarHBondContact O-N 2.81Å; T87-H89 WeakPolarHBondContact OG1-CB 3.45Å; T87-H89 PolarHBondContact OG1-CD2 3.29Å; T87-H89 VanDerWaalsContact OG1-CD2 3.26Å; T87-H89 PolarHBondContact OG1-N 2.95Å; H89-T109 PolarHBondContact CD2-OG1 3.43Å; H89-T109 PolarHBondContact NE2-OG1 3.45Å; H89-A111 HydrophobicContact CB-CB 4.05Å; H89-A111 WeakPolarHBondContact ND1-CB 3.43Å; H89-D113 WeakPolarHBondContact CA-OD2 3.27Å; H89-D113 WeakPolarHBondContact CB-OD2 3.36Å; H89-D113 IonicContact CE1-OD1 3.04Å; H89-D113 IonicContact CG-OD2 3.36Å; H89-D113 IonicContact ND1-OD1 2.77Å; H89-D113 PolarHBondContact ND1-OD1 2.95Å; H89-D113 VanDerWaalsContact ND1-OD1 3.07Å; H89-D113 IonicContact ND1-OD2 3.45Å; H89-D113 PolarHBondContact ND1-OD2 3.43Å; H89-K115 PolarHBondContact CE1-O 3.06Å; H89-H117 AromaticContact CD2-ND1 3.62Å; H89-H117 AromaticContact CE1-CD2 3.85Å; H89-H117 AromaticContact CE1-CE1 3.6Å; H89-H117 AromaticContact CE1-CG 3.5Å; H89-H117 AromaticContact CE1-ND1 3.36Å; H89-H117 PolarHBondContact CE1-ND1 3.15Å; H89-H117 AromaticContact CE1-NE2 3.92Å; H89-H117 AromaticContact CG-CE1 3.81Å; H89-H117 AromaticContact CG-ND1 3.66Å; H89-H117 AromaticContact ND1-CE1 3.4Å; H89-H117 PolarHBondContact ND1-CE1 3.4Å; H89-H117 AromaticContact ND1-ND1 3.51Å; H89-H117 AromaticContact ND1-NE2 3.94Å; H89-H117 AromaticContact NE2-CG 3.6Å; H89-H117 AromaticContact NE2-ND1 3.43Å; H89-H117 PolarHBondContact NE2-ND1 2.9Å
90	A	97.6	Very high	96.6	Very high	73 Å²	73	37.9 Å²	37.9	60%	0.603	21%	0.213	S	C	*	.	S	Bend	trans	-100.4	0.7	178.8	0	0	0	0	0	113.4	Q69 D113	Q69-A90 PolarHBondContact NE2-O 3.35Å; A90-D113 HydrophobicContact CB-CB 4.3Å; A90-D113 PolarHBondContact N-OD2 2.9Å
91	A	97.1	Very high	96.1	Very high	26 Å²	26	37.5 Å²	37.5	22%	0.215	21%	0.213	C	C	.	.	S	Bend	trans	-154.1	-178.8	-177.4	0	0	0	0	0	111	I93 A112 D113	A91-I93 PolarHBondContact O-N 3.18Å; A91-A112 HydrophobicContact CB-CB 3.75Å; A91-D113 HydrophobicContact CB-CB 4.02Å
92	N	96.7	Very high	95.7	Very high	57 Å²	57	33.7 Å²	33.7	31%	0.305	20%	0.2	S	C	.	.			trans	-53.2	130.4	-170.9	-57.3	23.2	0	0	0	113.6	D67 F94 A111 A112	D67-N92 VanDerWaalsContact CG-CG 3.4Å; D67-N92 WeakPolarHBondContact OD1-CB 3.1Å; D67-N92 PolarHBondContact OD1-ND2 3.3Å; D67-N92 PolarHBondContact OD2-ND2 3.27Å; N92-F94 HydrophobicContact CB-CE1 3.95Å; N92-F94 HydrophobicContact CB-CZ 3.97Å; N92-A111 CarbonylContact O-C 3.05Å; N92-A111 WeakPolarHBondContact O-CA 3.32Å; N92-A111 VanDerWaalsContact O-CB 3.25Å; N92-A111 WeakPolarHBondContact O-CB 3.44Å; N92-A112 HydrophobicContact CB-CB 4.24Å; N92-A112 PolarHBondContact O-N 3.22Å
93	I	98.3	Very high	95.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	116.5	176.6	-57.4	165.8	0	0	0	109	N51 S66 H70 T87 A91 T109 A111	N51-I93 WeakPolarHBondContact CB-O 3.38Å; S66-I93 PolarHBondContact O-N 3.39Å; H70-I93 WeakPolarHBondContact O-CD1 3.47Å; T87-I93 HydrophobicContact CG2-CD1 3.65Å; A91-I93 PolarHBondContact O-N 3.18Å; I93-T109 HydrophobicContact CG2-CG2 4.36Å; I93-A111 HydrophobicContact CG1-CB 4.49Å
94	F	97.7	Very high	95.1	Very high	14 Å²	14	32.9 Å²	32.9	6%	0.061	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	-14.6	-178	-65.8	-49.1	0	0	0	114.1	N51 C52 N92 G110 A112 R136 K138 I531	N51-F94 HydrophobicContact CB-CD1 4.23Å; C52-F94 WeakPolarHBondContact CB-O 3.43Å; N92-F94 HydrophobicContact CB-CE1 3.95Å; N92-F94 HydrophobicContact CB-CZ 3.97Å; F94-G110 PolarHBondContact N-O 3.42Å; F94-A112 HydrophobicContact CD2-CB 4.26Å; F94-A112 HydrophobicContact CE2-CB 3.48Å; F94-A112 VanDerWaalsContact CE2-CB 3.48Å; F94-A112 HydrophobicContact CZ-CB 4Å; F94-R136 HydrophobicContact CE2-CB 4.32Å; F94-K138 HydrophobicContact CD2-CD 3.98Å; F94-K138 HydrophobicContact CE2-CD 4.32Å; F94-K138 HydrophobicContact CG-CD 4.4Å; F94-I531 HydrophobicContact CD1-CD1 4.41Å
95	S	98.1	Very high	95	Very high	1 Å²	1	36 Å²	36	1%	0.007	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	137.5	178.8	-170.1	0	0	0	0	111.4	C52 T109 G110 I140	C52-S95 VanDerWaalsContact SG-C 3.55Å; S95-T109 VanDerWaalsContact O-CA 3.24Å; S95-T109 WeakPolarHBondContact O-CA 3.47Å; S95-G110 PolarHBondContact N-O 3.06Å; S95-G110 VanDerWaalsContact N-O 3.16Å; S95-G110 PolarHBondContact O-N 3.36Å; S95-I140 WeakPolarHBondContact OG-CB 3.29Å; S95-I140 PolarHBondContact OG-N 3.19Å
96	V	98.3	Very high	95	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.012	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	134.2	172.4	66.3	0	0	0	0	108.4	C52 E54 A63 L107 V108 T109	C52-V96 HydrophobicContact CB-CG1 3.99Å; E54-V96 HydrophobicContact CB-CG1 4.14Å; E54-V96 WeakPolarHBondContact CB-O 3.37Å; A63-V96 HydrophobicContact CB-CG1 4.41Å; A63-V96 HydrophobicContact CB-CG2 3.97Å; V96-L107 HydrophobicContact CG2-CD1 3.68Å; V96-L107 HydrophobicContact CG2-CD2 3.62Å; V96-L107 HydrophobicContact CG2-CG 3.7Å; V96-V108 CarbonylContact C-O 3.59Å; V96-V108 WeakPolarHBondContact CA-O 3.45Å; V96-T109 HydrophobicContact CB-CG2 4.48Å; V96-T109 HydrophobicContact CG2-CG2 4.16Å
97	K	97.9	Very high	95.1	Very high	23 Å²	23	31.7 Å²	31.7	10%	0.1	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	135.4	178.5	-71.7	-61.5	-177	-176.7	0	111.8	E54 L107 V108 I140 T142	E54-K97 VanDerWaalsContact CD-CD 3.45Å; E54-K97 HydrophobicContact CG-CD 4Å; E54-K97 WeakPolarHBondContact OE1-CD 3.37Å; E54-K97 IonicContact OE1-NZ 3.7Å; E54-K97 PolarHBondContact OE1-NZ 2.75Å; E54-K97 IonicContact OE2-NZ 2.68Å; E54-K97 PolarHBondContact OE2-NZ 3.01Å; K97-L107 CarbonylContact O-C 3.52Å; K97-L107 WeakPolarHBondContact O-CA 3.43Å; K97-V108 PolarHBondContact N-O 2.95Å; K97-V108 PolarHBondContact O-N 2.94Å; K97-I140 HydrophobicContact CB-CG2 4.12Å; K97-I140 WeakPolarHBondContact CE-O 3.3Å; K97-I140 HydrophobicContact CG-CB 3.96Å; K97-I140 HydrophobicContact CG-CG2 3.94Å; K97-I140 WeakPolarHBondContact CG-O 3.46Å; K97-T142 HydrophobicContact CB-CG2 4Å
98	F	96.9	Very high	95.1	Very high	12 Å²	12	31.7 Å²	31.7	5%	0.053	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	134.4	163.4	-73.3	-79.9	0	0	0	109.5	E54 N56 L61 A63 I73 P100 D104 L107 L121	E54-F98 HydrophobicContact CG-CD2 4.08Å; N56-F98 HydrophobicContact CB-CD1 4.43Å; N56-F98 HydrophobicContact CB-CD2 3.81Å; N56-F98 HydrophobicContact CB-CE1 4.43Å; N56-F98 HydrophobicContact CB-CE2 3.82Å; N56-F98 HydrophobicContact CB-CG 4.13Å; N56-F98 HydrophobicContact CB-CZ 4.13Å; L61-F98 HydrophobicContact CB-CZ 4.33Å; A63-F98 HydrophobicContact CB-CD2 4.49Å; A63-F98 HydrophobicContact CB-CE2 3.63Å; A63-F98 HydrophobicContact CB-CZ 3.86Å; I73-F98 HydrophobicContact CD1-CZ 4.12Å; F98-P100 WeakPolarHBondContact O-CD 3.49Å; F98-D104 HydrophobicContact CD1-CB 4.47Å; F98-D104 HydrophobicContact CE1-CB 4.42Å; F98-L107 HydrophobicContact CD1-CD1 3.92Å; F98-L107 HydrophobicContact CD2-CD1 4.38Å; F98-L107 HydrophobicContact CE1-CD1 3.98Å; F98-L107 HydrophobicContact CE2-CD1 4.43Å; F98-L107 HydrophobicContact CG-CD1 4.14Å; F98-L107 HydrophobicContact CZ-CD1 4.24Å; F98-L121 HydrophobicContact CE1-CD1 4.03Å
99	L	95.3	Very high	95.2	Very high	8 Å²	8	29.7 Å²	29.7	4%	0.042	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-77.4	123.7	172.1	-169.4	69.5	0	0	0	109.4	S102 I106 T142 P147 F150 L164	L99-S102 WeakPolarHBondContact O-CB 3.45Å; L99-S102 PolarHBondContact O-N 3.46Å; L99-S102 PolarHBondContact O-OG 3.09Å; L99-I106 HydrophobicContact CB-CB 3.93Å; L99-I106 HydrophobicContact CB-CG2 3.85Å; L99-I106 HydrophobicContact CD2-CB 4.19Å; L99-I106 HydrophobicContact CD2-CG2 3.81Å; L99-I106 PolarHBondContact N-O 3.31Å; L99-T142 HydrophobicContact CD1-CG2 4.26Å; L99-P147 VanDerWaalsContact CD2-O 3.25Å; L99-P147 WeakPolarHBondContact CD2-O 3.33Å; L99-P147 VanDerWaalsContact CG-O 3.22Å; L99-P147 WeakPolarHBondContact CG-O 3.43Å; L99-F150 HydrophobicContact CD1-CD1 4.37Å; L99-L164 HydrophobicContact CD2-CD1 3.65Å
100	P	90.6	Very high	95.2	Very high	19 Å²	19	29.6 Å²	29.6	12%	0.123	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	147.9	-177.8	-26.6	35.9	0	0	0	112.9	F98 S102	F98-P100 WeakPolarHBondContact O-CD 3.49Å; P100-S102 PolarHBondContact O-N 3.44Å
101	H	86	Confident	95.3	Very high	120 Å²	120	26.1 Å²	26.1	56%	0.556	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.2	8.6	178.4	-52.6	-54.7	0	0	0	116.3	G103 P144 P147	H101-G103 PolarHBondContact O-N 3.41Å; H101-P144 PolarHBondContact CD2-O 3.27Å; H101-P144 PolarHBondContact NE2-O 2.5Å; H101-P147 HydrophobicContact CB-CB 4.03Å
102	S	87.6	Confident	95.3	Very high	29 Å²	29	25.9 Å²	25.9	20%	0.203	14%	0.143	C	C	.	.	S	Bend	trans	-79.5	0.8	173.5	69.6	0	0	0	0	113.8	L99 P100 D104 R105 I106	L99-S102 WeakPolarHBondContact O-CB 3.45Å; L99-S102 PolarHBondContact O-N 3.46Å; L99-S102 PolarHBondContact O-OG 3.09Å; P100-S102 PolarHBondContact O-N 3.44Å; S102-D104 VanDerWaalsContact C-N 3.32Å; S102-R105 WeakPolarHBondContact O-CB 3.33Å; S102-R105 PolarHBondContact O-N 3.38Å; S102-I106 PolarHBondContact OG-N 3.48Å
103	G	87.8	Confident	95.4	Very high	62 Å²	62	24.3 Å²	24.3	64%	0.639	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.5	35.6	-173.6	0	0	0	0	0	112.5	H101 R105	H101-G103 PolarHBondContact O-N 3.41Å; G103-R105 PolarHBondContact O-N 3.04Å; G103-R105 VanDerWaalsContact O-N 3.15Å
104	D	91.9	Very high	95.4	Very high	32 Å²	32	26.2 Å²	26.2	17%	0.171	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	16.1	-177.4	-46	-48.7	0	0	0	113.8	N56 K58 L61 F98 S102 L121	N56-D104 WeakPolarHBondContact CB-OD1 3.33Å; N56-D104 VanDerWaalsContact ND2-CG 3.25Å; N56-D104 PolarHBondContact ND2-OD1 2.98Å; N56-D104 PolarHBondContact ND2-OD2 3.35Å; N56-D104 VanDerWaalsContact ND2-OD2 3.1Å; K58-D104 IonicContact NZ-OD2 2.73Å; L61-D104 HydrophobicContact CD1-CB 4.09Å; F98-D104 HydrophobicContact CD1-CB 4.47Å; F98-D104 HydrophobicContact CE1-CB 4.42Å; S102-D104 VanDerWaalsContact C-N 3.32Å; D104-L121 WeakPolarHBondContact O-CD1 3.41Å
105	R	93.4	Very high	95.4	Very high	124 Å²	124	28.5 Å²	28.5	47%	0.468	16%	0.157	S	C	.	.			trans	-82.3	-37.4	-177.3	176.8	175.4	168.3	-163.2	-3	113.1	S102 G103 D120 L121 T122	S102-R105 WeakPolarHBondContact O-CB 3.33Å; S102-R105 PolarHBondContact O-N 3.38Å; G103-R105 PolarHBondContact O-N 3.04Å; G103-R105 VanDerWaalsContact O-N 3.15Å; R105-D120 WeakPolarHBondContact CG-OD1 3.43Å; R105-D120 IonicContact CZ-OD2 3.07Å; R105-D120 IonicContact NE-OD1 3.09Å; R105-D120 PolarHBondContact NE-OD1 3.02Å; R105-D120 IonicContact NE-OD2 3.36Å; R105-D120 PolarHBondContact NE-OD2 3.41Å; R105-D120 IonicContact NH2-OD2 3.76Å; R105-D120 PolarHBondContact NH2-OD2 3.03Å; R105-L121 WeakPolarHBondContact O-CB 3.27Å; R105-L121 WeakPolarHBondContact O-CG 3.36Å; R105-L121 PolarHBondContact O-N 3.15Å; R105-T122 WeakPolarHBondContact CG-OG1 3.37Å
106	I	96.1	Very high	95.4	Very high	19 Å²	19	28.5 Å²	28.5	10%	0.097	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	125.9	-169.4	-57.3	-62.2	0	0	0	110.3	L99 S102 V118 H119 D120 I127	L99-I106 HydrophobicContact CB-CB 3.93Å; L99-I106 HydrophobicContact CB-CG2 3.85Å; L99-I106 HydrophobicContact CD2-CB 4.19Å; L99-I106 HydrophobicContact CD2-CG2 3.81Å; L99-I106 PolarHBondContact N-O 3.31Å; S102-I106 PolarHBondContact OG-N 3.48Å; I106-V118 HydrophobicContact CG2-CG1 3.54Å; I106-H119 WeakPolarHBondContact CA-O 3.32Å; I106-D120 HydrophobicContact CD1-CB 4.09Å; I106-I127 HydrophobicContact CD1-CD1 4.07Å
107	L	97.4	Very high	95.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	138	177.2	-160.7	75.4	0	0	0	109.7	A63 A71 I73 V96 K97 F98 T109 V118 H119 L121	A63-L107 HydrophobicContact CB-CD1 4.05Å; A71-L107 HydrophobicContact CB-CD2 4.07Å; I73-L107 HydrophobicContact CD1-CD2 4.3Å; V96-L107 HydrophobicContact CG2-CD1 3.68Å; V96-L107 HydrophobicContact CG2-CD2 3.62Å; V96-L107 HydrophobicContact CG2-CG 3.7Å; K97-L107 CarbonylContact O-C 3.52Å; K97-L107 WeakPolarHBondContact O-CA 3.43Å; F98-L107 HydrophobicContact CD1-CD1 3.92Å; F98-L107 HydrophobicContact CD2-CD1 4.38Å; F98-L107 HydrophobicContact CE1-CD1 3.98Å; F98-L107 HydrophobicContact CE2-CD1 4.43Å; F98-L107 HydrophobicContact CG-CD1 4.14Å; F98-L107 HydrophobicContact CZ-CD1 4.24Å; L107-T109 HydrophobicContact CD2-CG2 4.44Å; L107-V118 CarbonylContact O-C 3.45Å; L107-V118 WeakPolarHBondContact O-CA 3.34Å; L107-H119 HydrophobicContact CB-CB 4.32Å; L107-H119 PolarHBondContact N-O 2.97Å; L107-H119 PolarHBondContact O-CD2 3.25Å; L107-H119 PolarHBondContact O-N 3.48Å; L107-L121 HydrophobicContact CB-CD1 4.41Å; L107-L121 HydrophobicContact CB-CD2 4.46Å; L107-L121 HydrophobicContact CB-CG 4.4Å; L107-L121 HydrophobicContact CD2-CD2 4.49Å
108	V	98.3	Very high	95.3	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	132.3	175.2	-175.9	0	0	0	0	108.8	V96 K97 V116 H117 V118 I140 F150	V96-V108 CarbonylContact C-O 3.59Å; V96-V108 WeakPolarHBondContact CA-O 3.45Å; K97-V108 PolarHBondContact N-O 2.95Å; K97-V108 PolarHBondContact O-N 2.94Å; V108-V116 HydrophobicContact CG1-CG1 3.81Å; V108-H117 CarbonylContact C-O 3.01Å; V108-H117 WeakPolarHBondContact CA-O 3.27Å; V108-V118 HydrophobicContact CG2-CG1 4.46Å; V108-V118 HydrophobicContact CG2-CG2 4.34Å; V108-I140 HydrophobicContact CB-CG2 4.28Å; V108-I140 HydrophobicContact CG1-CD1 4.35Å; V108-I140 HydrophobicContact CG1-CG1 4.22Å; V108-I140 HydrophobicContact CG1-CG2 3.86Å; V108-F150 HydrophobicContact CG1-CD2 3.97Å; V108-F150 HydrophobicContact CG1-CE1 4.48Å; V108-F150 HydrophobicContact CG1-CE2 3.71Å; V108-F150 HydrophobicContact CG1-CG 4.48Å; V108-F150 HydrophobicContact CG1-CZ 3.97Å; V108-F150 HydrophobicContact CG2-CD1 4.21Å; V108-F150 HydrophobicContact CG2-CE1 4.22Å; V108-F150 HydrophobicContact CG2-CG 4.46Å; V108-F150 HydrophobicContact CG2-CZ 4.5Å
109	T	98.6	Very high	95.3	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	142.8	175.8	59.3	0	0	0	0	111.8	T87 H89 I93 S95 V96 L107 V116 H117 H119	T87-T109 HydrophobicContact CG2-CG2 4.4Å; H89-T109 PolarHBondContact CD2-OG1 3.43Å; H89-T109 PolarHBondContact NE2-OG1 3.45Å; I93-T109 HydrophobicContact CG2-CG2 4.36Å; S95-T109 VanDerWaalsContact O-CA 3.24Å; S95-T109 WeakPolarHBondContact O-CA 3.47Å; V96-T109 HydrophobicContact CB-CG2 4.48Å; V96-T109 HydrophobicContact CG2-CG2 4.16Å; L107-T109 HydrophobicContact CD2-CG2 4.44Å; T109-V116 CarbonylContact O-C 3.55Å; T109-V116 WeakPolarHBondContact O-CA 3.43Å; T109-H117 PolarHBondContact N-O 2.51Å; T109-H117 PolarHBondContact O-N 3.35Å; T109-H119 PolarHBondContact OG1-NE2 3.26Å
110	G	98.4	Very high	95.3	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	139.7	171.2	0	0	0	0	0	110.3	F94 S95	F94-G110 PolarHBondContact N-O 3.42Å; S95-G110 PolarHBondContact N-O 3.06Å; S95-G110 VanDerWaalsContact N-O 3.16Å; S95-G110 PolarHBondContact O-N 3.36Å
111	A	98.3	Very high	95.5	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	172.9	-169	0	0	0	0	0	114.4	H89 N92 I93 D113 T114 K115 V137	H89-A111 HydrophobicContact CB-CB 4.05Å; H89-A111 WeakPolarHBondContact ND1-CB 3.43Å; N92-A111 CarbonylContact O-C 3.05Å; N92-A111 WeakPolarHBondContact O-CA 3.32Å; N92-A111 VanDerWaalsContact O-CB 3.25Å; N92-A111 WeakPolarHBondContact O-CB 3.44Å; I93-A111 HydrophobicContact CG1-CB 4.49Å; A111-D113 WeakPolarHBondContact CB-OD1 3.46Å; A111-D113 PolarHBondContact O-N 2.94Å; A111-T114 PolarHBondContact O-N 3.4Å; A111-K115 PolarHBondContact N-O 3.33Å; A111-V137 PolarHBondContact O-N 3.12Å
112	A	97.9	Very high	95.8	Very high	21 Å²	21	26.3 Å²	26.3	17%	0.174	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-16.1	176.4	0	0	0	0	0	113.8	A91 N92 F94 T114 R136	A91-A112 HydrophobicContact CB-CB 3.75Å; N92-A112 HydrophobicContact CB-CB 4.24Å; N92-A112 PolarHBondContact O-N 3.22Å; F94-A112 HydrophobicContact CD2-CB 4.26Å; F94-A112 HydrophobicContact CE2-CB 3.48Å; F94-A112 VanDerWaalsContact CE2-CB 3.48Å; F94-A112 HydrophobicContact CZ-CB 4Å; A112-T114 PolarHBondContact O-N 3.33Å; A112-T114 VanDerWaalsContact O-N 3.17Å; A112-R136 HydrophobicContact CB-CG 4.14Å
113	D	98	Very high	96	Very high	25 Å²	25	28.7 Å²	28.7	13%	0.134	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	14.3	177.7	69.5	-4.3	0	0	0	113.5	H89 A90 A91 A111 K115	H89-D113 WeakPolarHBondContact CA-OD2 3.27Å; H89-D113 WeakPolarHBondContact CB-OD2 3.36Å; H89-D113 IonicContact CE1-OD1 3.04Å; H89-D113 IonicContact CG-OD2 3.36Å; H89-D113 IonicContact ND1-OD1 2.77Å; H89-D113 PolarHBondContact ND1-OD1 2.95Å; H89-D113 VanDerWaalsContact ND1-OD1 3.07Å; H89-D113 IonicContact ND1-OD2 3.45Å; H89-D113 PolarHBondContact ND1-OD2 3.43Å; A90-D113 HydrophobicContact CB-CB 4.3Å; A90-D113 PolarHBondContact N-OD2 2.9Å; A91-D113 HydrophobicContact CB-CB 4.02Å; A111-D113 WeakPolarHBondContact CB-OD1 3.46Å; A111-D113 PolarHBondContact O-N 2.94Å; D113-K115 PolarHBondContact O-N 3.12Å; D113-K115 WeakPolarHBondContact OD1-CB 3.11Å; D113-K115 PolarHBondContact OD1-N 3.47Å
114	T	98.2	Very high	96.1	Very high	40 Å²	40	31.1 Å²	31.1	25%	0.245	16%	0.159	C	C	.	.	S	Bend	trans	66.2	10.4	-179.2	88.9	0	0	0	0	115	A111 A112 H133 N135	A111-T114 PolarHBondContact O-N 3.4Å; A112-T114 PolarHBondContact O-N 3.33Å; A112-T114 VanDerWaalsContact O-N 3.17Å; T114-H133 WeakPolarHBondContact CB-O 3.44Å; T114-H133 WeakPolarHBondContact O-CB 3.37Å; T114-H133 PolarHBondContact OG1-O 3.12Å; T114-H133 VanDerWaalsContact OG1-O 3.07Å; T114-N135 WeakPolarHBondContact CA-O 3.49Å; T114-N135 WeakPolarHBondContact CB-O 3.47Å
115	K	97.9	Very high	96.2	Very high	62 Å²	62	35.6 Å²	35.6	27%	0.27	18%	0.179	S	C	.	.			trans	-106	157.2	-176.5	-62.9	177	-176.5	-179.8	0	113.3	H89 A111 D113 M129 F130	H89-K115 PolarHBondContact CE1-O 3.06Å; A111-K115 PolarHBondContact N-O 3.33Å; D113-K115 PolarHBondContact O-N 3.12Å; D113-K115 WeakPolarHBondContact OD1-CB 3.11Å; D113-K115 PolarHBondContact OD1-N 3.47Å; K115-M129 HydrophobicContact CD-CG 4.25Å; K115-M129 HydrophobicContact CD-SD 3.97Å; K115-F130 VanDerWaalsContact CA-O 3.32Å; K115-F130 WeakPolarHBondContact CA-O 3.26Å; K115-F130 WeakPolarHBondContact CB-O 3.11Å
116	V	98.3	Very high	96.3	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.006	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	125.2	166.7	-177.1	0	0	0	0	109	V108 T109 F130 V137 I140 F150 Y162	V108-V116 HydrophobicContact CG1-CG1 3.81Å; T109-V116 CarbonylContact O-C 3.55Å; T109-V116 WeakPolarHBondContact O-CA 3.43Å; V116-F130 HydrophobicContact CB-CB 4.39Å; V116-F130 PolarHBondContact N-O 2.87Å; V116-F130 PolarHBondContact O-N 3.36Å; V116-V137 HydrophobicContact CG2-CG1 4.01Å; V116-V137 HydrophobicContact CG2-CG2 4.03Å; V116-I140 HydrophobicContact CG1-CD1 3.95Å; V116-I140 HydrophobicContact CG2-CD1 4.1Å; V116-F150 HydrophobicContact CG1-CE2 3.77Å; V116-F150 HydrophobicContact CG1-CZ 4.19Å; V116-Y162 HydrophobicContact CB-CE1 4.41Å
117	H	97.8	Very high	96.1	Very high	3 Å²	3	34.9 Å²	34.9	1%	0.014	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	145.6	178.9	-66.7	168.3	0	0	0	111.1	T87 H89 V108 T109 H119 T126 H128 M129	T87-H117 PolarHBondContact O-ND1 3.26Å; H89-H117 AromaticContact CD2-ND1 3.62Å; H89-H117 AromaticContact CE1-CD2 3.85Å; H89-H117 AromaticContact CE1-CE1 3.6Å; H89-H117 AromaticContact CE1-CG 3.5Å; H89-H117 AromaticContact CE1-ND1 3.36Å; H89-H117 PolarHBondContact CE1-ND1 3.15Å; H89-H117 AromaticContact CE1-NE2 3.92Å; H89-H117 AromaticContact CG-CE1 3.81Å; H89-H117 AromaticContact CG-ND1 3.66Å; H89-H117 AromaticContact ND1-CE1 3.4Å; H89-H117 PolarHBondContact ND1-CE1 3.4Å; H89-H117 AromaticContact ND1-ND1 3.51Å; H89-H117 AromaticContact ND1-NE2 3.94Å; H89-H117 AromaticContact NE2-CG 3.6Å; H89-H117 AromaticContact NE2-ND1 3.43Å; H89-H117 PolarHBondContact NE2-ND1 2.9Å; V108-H117 CarbonylContact C-O 3.01Å; V108-H117 WeakPolarHBondContact CA-O 3.27Å; T109-H117 PolarHBondContact N-O 2.51Å; T109-H117 PolarHBondContact O-N 3.35Å; H117-H119 VanDerWaalsContact CB-CE1 3.42Å; H117-H119 WeakPolarHBondContact CB-CE1 3.39Å; H117-H119 WeakPolarHBondContact CB-NE2 3.46Å; H117-T126 HydrophobicContact CB-CG2 3.86Å; H117-H128 WeakPolarHBondContact CA-O 3.48Å; H117-M129 VanDerWaalsContact NE2-CG 3.34Å; H117-M129 WeakPolarHBondContact NE2-CG 3.15Å
118	V	97.2	Very high	96	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	128.1	172.8	-173.5	0	0	0	0	108	I106 L107 V108 T126 I127 H128 F130 F150 L164	I106-V118 HydrophobicContact CG2-CG1 3.54Å; L107-V118 CarbonylContact O-C 3.45Å; L107-V118 WeakPolarHBondContact O-CA 3.34Å; V108-V118 HydrophobicContact CG2-CG1 4.46Å; V108-V118 HydrophobicContact CG2-CG2 4.34Å; V118-T126 CarbonylContact O-C 3.5Å; V118-T126 WeakPolarHBondContact O-CA 3.24Å; V118-I127 HydrophobicContact CB-CG1 4.26Å; V118-I127 HydrophobicContact CG1-CD1 4.09Å; V118-I127 HydrophobicContact CG1-CG1 4.06Å; V118-I127 VanDerWaalsContact O-CG1 3.25Å; V118-I127 WeakPolarHBondContact O-CG1 3.31Å; V118-I127 PolarHBondContact O-N 3.22Å; V118-H128 HydrophobicContact CB-CB 4Å; V118-H128 HydrophobicContact CG2-CB 4.09Å; V118-H128 PolarHBondContact N-O 2.91Å; V118-H128 PolarHBondContact O-N 2.96Å; V118-F130 HydrophobicContact CG2-CE2 4Å; V118-F150 HydrophobicContact CG2-CE1 4.06Å; V118-F150 HydrophobicContact CG2-CZ 3.94Å; V118-L164 HydrophobicContact CG1-CD1 4.14Å; V118-L164 HydrophobicContact CG2-CD2 4.19Å
119	H	97.1	Very high	95.8	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	144.6	-172.4	-47.9	-76.6	0	0	0	110.7	M85 T87 I106 L107 T109 H117 E125 T126	M85-H119 HydrophobicContact CE-CB 3.42Å; M85-H119 VanDerWaalsContact CE-CB 3.42Å; M85-H119 HydrophobicContact SD-CB 4.01Å; T87-H119 PolarHBondContact O-CE1 3.35Å; T87-H119 VanDerWaalsContact O-CE1 3.32Å; I106-H119 WeakPolarHBondContact CA-O 3.32Å; L107-H119 HydrophobicContact CB-CB 4.32Å; L107-H119 PolarHBondContact N-O 2.97Å; L107-H119 PolarHBondContact O-CD2 3.25Å; L107-H119 PolarHBondContact O-N 3.48Å; T109-H119 PolarHBondContact OG1-NE2 3.26Å; H117-H119 VanDerWaalsContact CB-CE1 3.42Å; H117-H119 WeakPolarHBondContact CB-CE1 3.39Å; H117-H119 WeakPolarHBondContact CB-NE2 3.46Å; H119-E125 WeakPolarHBondContact CA-O 3.41Å; H119-T126 PolarHBondContact CE1-OG1 2.82Å; H119-T126 PolarHBondContact ND1-OG1 3.4Å; H119-T126 VanDerWaalsContact ND1-OG1 3.12Å
120	D	95.4	Very high	95.7	Very high	6 Å²	6	43.1 Å²	43.1	3%	0.032	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	111.3	169.3	-177.2	-18.5	0	0	0	109.6	R105 I106 T122 V123 K124 E125 I127	R105-D120 WeakPolarHBondContact CG-OD1 3.43Å; R105-D120 IonicContact CZ-OD2 3.07Å; R105-D120 IonicContact NE-OD1 3.09Å; R105-D120 PolarHBondContact NE-OD1 3.02Å; R105-D120 IonicContact NE-OD2 3.36Å; R105-D120 PolarHBondContact NE-OD2 3.41Å; R105-D120 IonicContact NH2-OD2 3.76Å; R105-D120 PolarHBondContact NH2-OD2 3.03Å; I106-D120 HydrophobicContact CD1-CB 4.09Å; D120-T122 PolarHBondContact O-N 3.44Å; D120-T122 VanDerWaalsContact OD1-CB 3.24Å; D120-T122 WeakPolarHBondContact OD1-CB 3.32Å; D120-T122 PolarHBondContact OD1-N 2.97Å; D120-T122 PolarHBondContact OD1-OG1 3.31Å; D120-V123 HydrophobicContact CB-CG2 3.66Å; D120-V123 PolarHBondContact O-N 3.29Å; D120-K124 VanDerWaalsContact O-CA 3.29Å; D120-K124 WeakPolarHBondContact O-CA 2.69Å; D120-K124 PolarHBondContact O-N 2.92Å; D120-E125 PolarHBondContact N-O 3.35Å; D120-E125 PolarHBondContact O-N 3.18Å; D120-I127 HydrophobicContact CB-CD1 4.49Å; D120-I127 HydrophobicContact CB-CG2 3.91Å
121	L	94.3	Very high	95.5	Very high	26 Å²	26	46.8 Å²	46.8	14%	0.136	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-15.8	-176.7	-63.6	176.1	0	0	0	113.4	I73 M85 F98 D104 R105 L107	I73-L121 HydrophobicContact CD1-CD1 3.97Å; I73-L121 HydrophobicContact CD1-CD2 4.3Å; I73-L121 HydrophobicContact CG1-CD1 4.04Å; I73-L121 HydrophobicContact CG1-CD2 4.04Å; M85-L121 HydrophobicContact CE-CD2 4.14Å; M85-L121 HydrophobicContact SD-CD2 4.29Å; F98-L121 HydrophobicContact CE1-CD1 4.03Å; D104-L121 WeakPolarHBondContact O-CD1 3.41Å; R105-L121 WeakPolarHBondContact O-CB 3.27Å; R105-L121 WeakPolarHBondContact O-CG 3.36Å; R105-L121 PolarHBondContact O-N 3.15Å; L107-L121 HydrophobicContact CB-CD1 4.41Å; L107-L121 HydrophobicContact CB-CD2 4.46Å; L107-L121 HydrophobicContact CB-CG 4.4Å; L107-L121 HydrophobicContact CD2-CD2 4.49Å
122	T	92.1	Very high	95.3	Very high	102 Å²	102	48.4 Å²	48.4	63%	0.626	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-46.5	177.1	-46.7	0	0	0	0	110.7	R105 D120	R105-T122 WeakPolarHBondContact CG-OG1 3.37Å; D120-T122 PolarHBondContact O-N 3.44Å; D120-T122 VanDerWaalsContact OD1-CB 3.24Å; D120-T122 WeakPolarHBondContact OD1-CB 3.32Å; D120-T122 PolarHBondContact OD1-N 2.97Å; D120-T122 PolarHBondContact OD1-OG1 3.31Å
123	V	92	Very high	95.2	Very high	80 Å²	80	47.6 Å²	47.6	49%	0.485	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-15.3	178.4	-64.4	0	0	0	0	112.6	D120 E125	D120-V123 HydrophobicContact CB-CG2 3.66Å; D120-V123 PolarHBondContact O-N 3.29Å; V123-E125 HydrophobicContact CG2-CB 4.02Å; V123-E125 HydrophobicContact CG2-CG 4.35Å
124	K	90.7	Very high	95.2	Very high	113 Å²	113	52.1 Å²	52.1	49%	0.491	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.6	40.6	-177.2	-53.9	-180	179.6	-177.9	0	112.9	T83 D120	T83-K124 HydrophobicContact CG2-CD 4.02Å; T83-K124 HydrophobicContact CG2-CG 4.28Å; D120-K124 VanDerWaalsContact O-CA 3.29Å; D120-K124 WeakPolarHBondContact O-CA 2.69Å; D120-K124 PolarHBondContact O-N 2.92Å
125	E	92.3	Very high	95.1	Very high	126 Å²	126	52.8 Å²	52.8	59%	0.589	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.8	149.8	-178.6	-65.3	-174	160.6	0	0	111.6	H119 D120 V123 I127	H119-E125 WeakPolarHBondContact CA-O 3.41Å; D120-E125 PolarHBondContact N-O 3.35Å; D120-E125 PolarHBondContact O-N 3.18Å; V123-E125 HydrophobicContact CG2-CB 4.02Å; V123-E125 HydrophobicContact CG2-CG 4.35Å; E125-I127 PolarHBondContact O-N 3.07Å
126	T	95.1	Very high	95.1	Very high	54 Å²	54	53.9 Å²	53.9	33%	0.331	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	113.1	167.3	-51.4	0	0	0	0	109.1	T87 H117 V118 H119 H128	T87-T126 PolarHBondContact O-OG1 3.04Å; H117-T126 HydrophobicContact CB-CG2 3.86Å; V118-T126 CarbonylContact O-C 3.5Å; V118-T126 WeakPolarHBondContact O-CA 3.24Å; H119-T126 PolarHBondContact CE1-OG1 2.82Å; H119-T126 PolarHBondContact ND1-OG1 3.4Å; H119-T126 VanDerWaalsContact ND1-OG1 3.12Å; T126-H128 WeakPolarHBondContact CG2-O 3.38Å
127	I	93.8	Very high	95.1	Very high	74 Å²	74	53.9 Å²	53.9	38%	0.379	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	-26.8	-177.5	56.3	163.1	0	0	0	113	I106 V118 D120 E125	I106-I127 HydrophobicContact CD1-CD1 4.07Å; V118-I127 HydrophobicContact CB-CG1 4.26Å; V118-I127 HydrophobicContact CG1-CD1 4.09Å; V118-I127 HydrophobicContact CG1-CG1 4.06Å; V118-I127 VanDerWaalsContact O-CG1 3.25Å; V118-I127 WeakPolarHBondContact O-CG1 3.31Å; V118-I127 PolarHBondContact O-N 3.22Å; D120-I127 HydrophobicContact CB-CD1 4.49Å; D120-I127 HydrophobicContact CB-CG2 3.91Å; E125-I127 PolarHBondContact O-N 3.07Å
128	H	94.1	Very high	95.1	Very high	62 Å²	62	53.9 Å²	53.9	29%	0.287	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	143.2	172.2	-61.5	-87.5	0	0	0	111.4	H117 V118 T126 F130	H117-H128 WeakPolarHBondContact CA-O 3.48Å; V118-H128 HydrophobicContact CB-CB 4Å; V118-H128 HydrophobicContact CG2-CB 4.09Å; V118-H128 PolarHBondContact N-O 2.91Å; V118-H128 PolarHBondContact O-N 2.96Å; T126-H128 WeakPolarHBondContact CG2-O 3.38Å; H128-F130 HydrophobicContact CB-CD2 4.43Å; H128-F130 HydrophobicContact CB-CE2 3.71Å; H128-F130 HydrophobicContact CB-CZ 4.05Å
129	M	94.8	Very high	95.2	Very high	102 Å²	102	54.9 Å²	54.9	50%	0.502	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	120.5	172.6	169.6	177.4	71.6	0	0	108.6	K115 H117	K115-M129 HydrophobicContact CD-CG 4.25Å; K115-M129 HydrophobicContact CD-SD 3.97Å; H117-M129 VanDerWaalsContact NE2-CG 3.34Å; H117-M129 WeakPolarHBondContact NE2-CG 3.15Å
130	F	96.1	Very high	95.2	Very high	8 Å²	8	55 Å²	55	4%	0.035	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	131.9	176.3	-56.6	-85.7	0	0	0	109.6	K115 V116 V118 H128 F150 Y162 L164 K169	K115-F130 VanDerWaalsContact CA-O 3.32Å; K115-F130 WeakPolarHBondContact CA-O 3.26Å; K115-F130 WeakPolarHBondContact CB-O 3.11Å; V116-F130 HydrophobicContact CB-CB 4.39Å; V116-F130 PolarHBondContact N-O 2.87Å; V116-F130 PolarHBondContact O-N 3.36Å; V118-F130 HydrophobicContact CG2-CE2 4Å; H128-F130 HydrophobicContact CB-CD2 4.43Å; H128-F130 HydrophobicContact CB-CE2 3.71Å; H128-F130 HydrophobicContact CB-CZ 4.05Å; F130-F150 HydrophobicContact CE2-CZ 4.3Å; F130-Y162 HydrophobicContact CB-CD1 4.33Å; F130-Y162 HydrophobicContact CB-CE1 3.63Å; F130-Y162 AromaticContact CD1-CD1 3.81Å; F130-Y162 HydrophobicContact CD1-CD1 3.81Å; F130-Y162 AromaticContact CD1-CE1 3.9Å; F130-Y162 HydrophobicContact CD1-CE1 3.9Å; F130-Y162 AromaticContact CD2-CD1 3.66Å; F130-Y162 HydrophobicContact CD2-CD1 3.66Å; F130-Y162 AromaticContact CD2-CE1 3.76Å; F130-Y162 HydrophobicContact CD2-CE1 3.76Å; F130-Y162 AromaticContact CE1-CD1 3.95Å; F130-Y162 HydrophobicContact CE1-CD1 3.95Å; F130-Y162 HydrophobicContact CE1-CE1 4.5Å; F130-Y162 AromaticContact CE2-CD1 3.8Å; F130-Y162 HydrophobicContact CE2-CD1 3.8Å; F130-Y162 HydrophobicContact CE2-CE1 4.37Å; F130-Y162 AromaticContact CG-CD1 3.67Å; F130-Y162 HydrophobicContact CG-CD1 3.67Å; F130-Y162 AromaticContact CG-CE1 3.49Å; F130-Y162 HydrophobicContact CG-CE1 3.49Å; F130-Y162 VanDerWaalsContact CG-CE1 3.49Å; F130-Y162 AromaticContact CZ-CD1 3.95Å; F130-Y162 HydrophobicContact CZ-CD1 3.95Å; F130-L164 HydrophobicContact CZ-CD2 4.4Å; F130-K169 WeakPolarHBondContact CD1-O 3.48Å
131	S	95.3	Very high	95.3	Very high	77 Å²	77	55 Å²	55	54%	0.538	29%	0.291	S	S	.	.			trans	-128.3	33.8	-177.2	63.2	0	0	0	0	111.9
132	D	93.3	Very high	95.4	Very high	34 Å²	34	55 Å²	55	18%	0.182	29%	0.292	C	S	.	.			trans	-85.6	-14.6	-176.2	-51	-71	0	0	0	113.6	R160 H170 S171	D132-R160 VanDerWaalsContact CB-NH1 3.3Å; D132-R160 PolarHBondContact O-NE 3.3Å; D132-R160 PolarHBondContact O-NH2 2.99Å; D132-H170 IonicContact OD1-ND1 3.1Å; D132-H170 PolarHBondContact OD1-ND1 3.16Å; D132-H170 VanDerWaalsContact OD1-ND1 3.1Å; D132-S171 PolarHBondContact OD2-N 2.75Å; D132-S171 PolarHBondContact OD2-OG 3.1Å
133	H	96.2	Very high	95.4	Very high	5 Å²	5	50.1 Å²	50.1	2%	0.023	26%	0.262	C	S	.	.			trans	-80.5	144.8	173.8	-80.8	-63.3	0	0	0	110.9	T114 V137 S152 A154 D156 I158 R160	T114-H133 WeakPolarHBondContact CB-O 3.44Å; T114-H133 WeakPolarHBondContact O-CB 3.37Å; T114-H133 PolarHBondContact OG1-O 3.12Å; T114-H133 VanDerWaalsContact OG1-O 3.07Å; H133-V137 HydrophobicContact CB-CG2 4.16Å; H133-S152 PolarHBondContact NE2-OG 3.3Å; H133-A154 HydrophobicContact CB-CB 4.22Å; H133-A154 VanDerWaalsContact CE1-CB 3.43Å; H133-A154 WeakPolarHBondContact CE1-CB 3.38Å; H133-A154 VanDerWaalsContact ND1-CB 3.31Å; H133-A154 WeakPolarHBondContact ND1-CB 3.44Å; H133-D156 VanDerWaalsContact CA-OD2 3.26Å; H133-D156 WeakPolarHBondContact CA-OD2 3.14Å; H133-D156 WeakPolarHBondContact CB-OD2 3.26Å; H133-D156 IonicContact CE1-OD1 2.67Å; H133-D156 IonicContact CE1-OD2 2.76Å; H133-D156 IonicContact CG-OD2 3.42Å; H133-D156 IonicContact ND1-OD1 2.67Å; H133-D156 PolarHBondContact ND1-OD1 2.7Å; H133-D156 IonicContact ND1-OD2 3.7Å; H133-D156 PolarHBondContact ND1-OD2 2.97Å; H133-I158 PolarHBondContact CE1-O 3.44Å; H133-R160 VanDerWaalsContact CE1-CD 3.46Å; H133-R160 WeakPolarHBondContact CE1-CD 3.21Å
134	T	96.6	Very high	95.1	Very high	119 Å²	119	49.1 Å²	49.1	73%	0.73	26%	0.257	S	S	*	.	S	Bend	trans	-102.8	-3.9	-178.8	58.2	0	0	0	0	113.5	D156	T134-D156 PolarHBondContact N-OD2 3.33Å; T134-D156 WeakPolarHBondContact OG1-CB 3.43Å
135	N	97.3	Very high	94.9	Very high	55 Å²	55	50.4 Å²	50.4	29%	0.294	27%	0.266	S	S	.	.	S	Bend	trans	-143	177.1	176.9	-153.5	-13.4	0	0	0	110.6	T114 V137 E155 D156	T114-N135 WeakPolarHBondContact CA-O 3.49Å; T114-N135 WeakPolarHBondContact CB-O 3.47Å; N135-V137 PolarHBondContact O-N 3.19Å; N135-E155 HydrophobicContact CB-CB 3.91Å; N135-E155 WeakPolarHBondContact ND2-CB 3.42Å; N135-E155 PolarHBondContact ND2-O 3.42Å; N135-E155 VanDerWaalsContact ND2-O 3.17Å; N135-D156 HydrophobicContact CB-CB 3.93Å
136	R	97.9	Very high	94.6	Very high	85 Å²	85	49 Å²	49	32%	0.321	26%	0.256	S	S	.	.			trans	-55.8	130.3	-171.9	-57.2	-172.1	-64.4	171.8	2.4	111.8	F94 A112 K138 A154 E155 D530	F94-R136 HydrophobicContact CE2-CB 4.32Å; A112-R136 HydrophobicContact CB-CG 4.14Å; R136-K138 PolarHBondContact O-N 3.41Å; R136-A154 VanDerWaalsContact O-CA 3.24Å; R136-A154 WeakPolarHBondContact O-CA 3.25Å; R136-A154 VanDerWaalsContact O-CB 3.3Å; R136-A154 WeakPolarHBondContact O-CB 3.23Å; R136-E155 HydrophobicContact CB-CG 4.45Å; R136-E155 IonicContact CZ-OE1 3.83Å; R136-E155 IonicContact CZ-OE2 3.54Å; R136-E155 VanDerWaalsContact CZ-OE2 3.27Å; R136-E155 IonicContact NE-OE1 3.23Å; R136-E155 IonicContact NE-OE2 3.94Å; R136-E155 PolarHBondContact NE-OE2 2.72Å; R136-E155 VanDerWaalsContact NH2-CD 3.26Å; R136-E155 IonicContact NH2-OE1 3.05Å; R136-E155 PolarHBondContact NH2-OE1 2.92Å; R136-E155 IonicContact NH2-OE2 3.5Å; R136-E155 PolarHBondContact NH2-OE2 2.77Å; R136-E155 PolarHBondContact O-N 2.76Å; R136-D530 IonicContact NH2-OD2 3.58Å; R136-D530 PolarHBondContact NH2-OD2 3.42Å; R136-D530 VanDerWaalsContact NH2-OD2 3.15Å
137	V	98.4	Very high	94.2	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	116.9	174.5	-176.6	0	0	0	0	108.8	A111 V116 H133 N135 I140 A154	A111-V137 PolarHBondContact O-N 3.12Å; V116-V137 HydrophobicContact CG2-CG1 4.01Å; V116-V137 HydrophobicContact CG2-CG2 4.03Å; H133-V137 HydrophobicContact CB-CG2 4.16Å; N135-V137 PolarHBondContact O-N 3.19Å; V137-I140 HydrophobicContact CG1-CD1 4.15Å; V137-A154 HydrophobicContact CG2-CB 4.27Å
138	K	97.6	Very high	94.1	Very high	4 Å²	4	48 Å²	48	2%	0.017	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	-35.8	-172.3	-70.7	-63.8	-168.7	171.1	0	114	F94 R136 A153 E155 K188 D530	F94-K138 HydrophobicContact CD2-CD 3.98Å; F94-K138 HydrophobicContact CE2-CD 4.32Å; F94-K138 HydrophobicContact CG-CD 4.4Å; R136-K138 PolarHBondContact O-N 3.41Å; K138-A153 PolarHBondContact N-O 3.37Å; K138-E155 WeakPolarHBondContact CE-OE1 3.49Å; K138-E155 HydrophobicContact CG-CG 3.88Å; K138-E155 IonicContact NZ-OE1 2.63Å; K138-K188 VanDerWaalsContact CB-O 3.22Å; K138-K188 WeakPolarHBondContact CB-O 3.45Å; K138-D530 WeakPolarHBondContact CE-OD2 3.36Å; K138-D530 IonicContact NZ-OD1 3.79Å; K138-D530 PolarHBondContact NZ-OD1 3.13Å; K138-D530 IonicContact NZ-OD2 2.8Å; K138-D530 PolarHBondContact NZ-OD2 3.45Å
139	R	97.9	Very high	94	Very high	21 Å²	21	45.2 Å²	45.2	8%	0.079	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	141.5	-175.7	-159	70.1	-179.6	178.9	4.7	112.4	S152 A153 C189 L190 Y273 E533	R139-S152 CarbonylContact O-C 3.53Å; R139-S152 VanDerWaalsContact O-CA 3.31Å; R139-S152 WeakPolarHBondContact O-CA 3.33Å; R139-A153 PolarHBondContact N-O 2.87Å; R139-A153 PolarHBondContact O-N 3.15Å; R139-C189 HydrophobicContact CB-CB 4.47Å; R139-C189 HydrophobicContact CG-CB 4.49Å; R139-L190 HydrophobicContact CB-CD2 4.3Å; R139-L190 WeakPolarHBondContact O-CD2 3.46Å; R139-Y273 PolarHBondContact NH2-OH 3.02Å; R139-E533 IonicContact CZ-OE1 3.09Å; R139-E533 IonicContact NH1-OE1 2.67Å; R139-E533 PolarHBondContact NH1-OE1 3.48Å; R139-E533 IonicContact NH2-OE1 2.69Å; R139-E533 PolarHBondContact NH2-OE1 2.79Å
140	I	98.4	Very high	94.1	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	139.6	166.9	-56.4	-61.4	0	0	0	108.5	S95 K97 V108 V116 V137 F150 W151	S95-I140 WeakPolarHBondContact OG-CB 3.29Å; S95-I140 PolarHBondContact OG-N 3.19Å; K97-I140 HydrophobicContact CB-CG2 4.12Å; K97-I140 WeakPolarHBondContact CE-O 3.3Å; K97-I140 HydrophobicContact CG-CB 3.96Å; K97-I140 HydrophobicContact CG-CG2 3.94Å; K97-I140 WeakPolarHBondContact CG-O 3.46Å; V108-I140 HydrophobicContact CB-CG2 4.28Å; V108-I140 HydrophobicContact CG1-CD1 4.35Å; V108-I140 HydrophobicContact CG1-CG1 4.22Å; V108-I140 HydrophobicContact CG1-CG2 3.86Å; V116-I140 HydrophobicContact CG1-CD1 3.95Å; V116-I140 HydrophobicContact CG2-CD1 4.1Å; V137-I140 HydrophobicContact CG1-CD1 4.15Å; I140-F150 HydrophobicContact CG2-CD2 4.1Å; I140-W151 CarbonylContact C-O 3.59Å; I140-W151 VanDerWaalsContact CA-O 3.29Å; I140-W151 WeakPolarHBondContact CA-O 3.46Å
141	A	97.8	Very high	94.2	Very high	6 Å²	6	40 Å²	40	5%	0.05	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	145.1	165.1	0	0	0	0	0	111.3	F150 W151 L190 V192	A141-F150 WeakPolarHBondContact O-CA 3.11Å; A141-F150 WeakPolarHBondContact O-CB 3.15Å; A141-W151 PolarHBondContact N-O 2.77Å; A141-W151 PolarHBondContact O-N 3Å; A141-L190 HydrophobicContact CB-CD1 3.23Å; A141-L190 HydrophobicContact CB-CG 3.91Å; A141-V192 HydrophobicContact CB-CG2 4.18Å
142	T	96	Very high	94.3	Very high	27 Å²	27	36.4 Å²	36.4	17%	0.166	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	164.7	172.3	59.5	0	0	0	0	108.7	K97 L99 F150	K97-T142 HydrophobicContact CB-CG2 4Å; L99-T142 HydrophobicContact CD1-CG2 4.26Å; T142-F150 HydrophobicContact CG2-CB 4.01Å
143	A	92	Very high	94.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.18	C	C	.	.			trans	-137.2	134.1	178.6	0	0	0	0	0	110.4	M145 W146 W151 V192 N197	A143-M145 VanDerWaalsContact C-N 3.3Å; A143-M145 PolarHBondContact O-N 2.84Å; A143-W146 HydrophobicContact CB-CB 4.27Å; A143-W146 HydrophobicContact CB-CG 4.43Å; A143-W146 CarbonylContact O-C 3.57Å; A143-W146 PolarHBondContact O-N 3.11Å; A143-W151 HydrophobicContact CB-CH2 4.01Å; A143-W151 HydrophobicContact CB-CZ3 3.69Å; A143-V192 HydrophobicContact CB-CB 4.19Å; A143-V192 HydrophobicContact CB-CG1 3.78Å; A143-V192 HydrophobicContact CB-CG2 4.41Å; A143-N197 HydrophobicContact CB-CB 4.16Å
144	P	84.5	Confident	94.7	Very high	58 Å²	58	34.5 Å²	34.5	38%	0.377	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-41.1	-177.6	-27.8	34.8	0	0	0	113.7	H101 W146	H101-P144 PolarHBondContact CD2-O 3.27Å; H101-P144 PolarHBondContact NE2-O 2.5Å; P144-W146 PolarHBondContact O-N 3.3Å
145	M	86.6	Confident	94.7	Very high	140 Å²	140	29.4 Å²	29.4	69%	0.69	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-4.5	-178	-57	-179.8	65.3	0	0	114	A143 P147 N197	A143-M145 VanDerWaalsContact C-N 3.3Å; A143-M145 PolarHBondContact O-N 2.84Å; M145-P147 WeakPolarHBondContact O-CD 3.47Å; M145-N197 WeakPolarHBondContact CB-OD1 3.31Å; M145-N197 WeakPolarHBondContact CG-OD1 3.46Å; M145-N197 PolarHBondContact N-OD1 3Å
146	W	87.3	Confident	94.6	Very high	96 Å²	96	27.6 Å²	27.6	36%	0.364	14%	0.137	S	C	.	.			trans	-123.1	70.4	-176.9	-60.3	94.9	0	0	0	110.8	A143 P144 N148 T149 W151	A143-W146 HydrophobicContact CB-CB 4.27Å; A143-W146 HydrophobicContact CB-CG 4.43Å; A143-W146 CarbonylContact O-C 3.57Å; A143-W146 PolarHBondContact O-N 3.11Å; P144-W146 PolarHBondContact O-N 3.3Å; W146-N148 PolarHBondContact O-N 3.36Å; W146-T149 PolarHBondContact O-N 3.46Å; W146-T149 VanDerWaalsContact O-N 3.1Å; W146-T149 VanDerWaalsContact O-O 3.08Å; W146-W151 HydrophobicContact CB-CH2 4.25Å; W146-W151 HydrophobicContact CG-CH2 4.13Å
147	P	86.8	Confident	94.4	Very high	47 Å²	47	23.5 Å²	23.5	31%	0.305	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-19	-168	24.1	-35.2	0	0	0	115.2	L99 H101 M145	L99-P147 VanDerWaalsContact CD2-O 3.25Å; L99-P147 WeakPolarHBondContact CD2-O 3.33Å; L99-P147 VanDerWaalsContact CG-O 3.22Å; L99-P147 WeakPolarHBondContact CG-O 3.43Å; H101-P147 HydrophobicContact CB-CB 4.03Å; M145-P147 WeakPolarHBondContact O-CD 3.47Å
148	N	90.5	Very high	94.3	Very high	60 Å²	60	24.7 Å²	24.7	32%	0.321	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.5	4.9	-179.5	-56	-67.9	0	0	0	112.6	W146 D163 L164 R165	W146-N148 PolarHBondContact O-N 3.36Å; N148-D163 WeakPolarHBondContact O-CA 3.22Å; N148-L164 PolarHBondContact O-N 2.95Å; N148-R165 HydrophobicContact CB-CG 3.76Å
149	T	93.1	Very high	94.2	Very high	4 Å²	4	24.5 Å²	24.5	3%	0.025	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	137.6	-175.1	-49.4	0	0	0	0	110.4	W146 W151 Q161 Y162	W146-T149 PolarHBondContact O-N 3.46Å; W146-T149 VanDerWaalsContact O-N 3.1Å; W146-T149 VanDerWaalsContact O-O 3.08Å; T149-W151 HydrophobicContact CG2-CH2 4.31Å; T149-W151 HydrophobicContact CG2-CZ2 3.98Å; T149-Q161 HydrophobicContact CG2-CG 3.64Å; T149-Y162 WeakPolarHBondContact CA-O 3.5Å; T149-Y162 VanDerWaalsContact CG2-O 3.32Å; T149-Y162 WeakPolarHBondContact CG2-O 3.34Å
150	F	96.7	Very high	94.1	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	169.2	173.6	66	-91.3	0	0	0	110.3	L99 V108 V116 V118 F130 I140 A141 T142 Y162 L164	L99-F150 HydrophobicContact CD1-CD1 4.37Å; V108-F150 HydrophobicContact CG1-CD2 3.97Å; V108-F150 HydrophobicContact CG1-CE1 4.48Å; V108-F150 HydrophobicContact CG1-CE2 3.71Å; V108-F150 HydrophobicContact CG1-CG 4.48Å; V108-F150 HydrophobicContact CG1-CZ 3.97Å; V108-F150 HydrophobicContact CG2-CD1 4.21Å; V108-F150 HydrophobicContact CG2-CE1 4.22Å; V108-F150 HydrophobicContact CG2-CG 4.46Å; V108-F150 HydrophobicContact CG2-CZ 4.5Å; V116-F150 HydrophobicContact CG1-CE2 3.77Å; V116-F150 HydrophobicContact CG1-CZ 4.19Å; V118-F150 HydrophobicContact CG2-CE1 4.06Å; V118-F150 HydrophobicContact CG2-CZ 3.94Å; F130-F150 HydrophobicContact CE2-CZ 4.3Å; I140-F150 HydrophobicContact CG2-CD2 4.1Å; A141-F150 WeakPolarHBondContact O-CA 3.11Å; A141-F150 WeakPolarHBondContact O-CB 3.15Å; T142-F150 HydrophobicContact CG2-CB 4.01Å; F150-Y162 AromaticContact CD2-CD2 3.58Å; F150-Y162 HydrophobicContact CD2-CD2 3.58Å; F150-Y162 HydrophobicContact CD2-CE2 4.31Å; F150-Y162 AromaticContact CD2-CG 4Å; F150-Y162 HydrophobicContact CD2-CG 4Å; F150-Y162 HydrophobicContact CE1-CG 4.09Å; F150-Y162 AromaticContact CE2-CD1 3.94Å; F150-Y162 HydrophobicContact CE2-CD1 3.94Å; F150-Y162 AromaticContact CE2-CD2 3.18Å; F150-Y162 HydrophobicContact CE2-CD2 3.18Å; F150-Y162 HydrophobicContact CE2-CE1 4.43Å; F150-Y162 AromaticContact CE2-CE2 3.8Å; F150-Y162 HydrophobicContact CE2-CE2 3.8Å; F150-Y162 AromaticContact CE2-CG 3.29Å; F150-Y162 HydrophobicContact CE2-CG 3.29Å; F150-Y162 HydrophobicContact CG-CD2 4.44Å; F150-Y162 AromaticContact CZ-CD1 3.81Å; F150-Y162 HydrophobicContact CZ-CD1 3.81Å; F150-Y162 AromaticContact CZ-CD2 3.8Å; F150-Y162 HydrophobicContact CZ-CD2 3.8Å; F150-Y162 AromaticContact CZ-CG 3.36Å; F150-Y162 HydrophobicContact CZ-CG 3.36Å; F150-Y162 PolarHBondContact N-O 2.68Å; F150-Y162 VanDerWaalsContact N-O 3.13Å; F150-Y162 PolarHBondContact O-N 3.41Å; F150-L164 HydrophobicContact CE1-CD1 4.4Å; F150-L164 HydrophobicContact CE1-CD2 4.01Å; F150-L164 HydrophobicContact CE1-CG 4.16Å
151	W	97.9	Very high	93.9	Very high	2 Å²	2	26 Å²	26	1%	0.008	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	150.5	-177.5	-58.2	-89.6	0	0	0	111.4	I140 A141 A143 W146 T149 R160 L190 V192 I214	I140-W151 CarbonylContact C-O 3.59Å; I140-W151 VanDerWaalsContact CA-O 3.29Å; I140-W151 WeakPolarHBondContact CA-O 3.46Å; A141-W151 PolarHBondContact N-O 2.77Å; A141-W151 PolarHBondContact O-N 3Å; A143-W151 HydrophobicContact CB-CH2 4.01Å; A143-W151 HydrophobicContact CB-CZ3 3.69Å; W146-W151 HydrophobicContact CB-CH2 4.25Å; W146-W151 HydrophobicContact CG-CH2 4.13Å; T149-W151 HydrophobicContact CG2-CH2 4.31Å; T149-W151 HydrophobicContact CG2-CZ2 3.98Å; W151-R160 CarbonylContact C-O 3.58Å; W151-R160 WeakPolarHBondContact CA-O 3.21Å; W151-R160 WeakPolarHBondContact CB-O 3.44Å; W151-L190 HydrophobicContact CB-CD1 3.67Å; W151-V192 HydrophobicContact CD2-CG2 4.39Å; W151-V192 HydrophobicContact CE3-CG2 3.63Å; W151-V192 HydrophobicContact CH2-CG2 4.36Å; W151-V192 HydrophobicContact CZ3-CG2 3.63Å; W151-I214 HydrophobicContact CZ2-CD1 4.36Å
152	S	98.4	Very high	93.7	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	150.5	172.9	62	0	0	0	0	111.4	H133 R139 I159 R160 Y162	H133-S152 PolarHBondContact NE2-OG 3.3Å; R139-S152 CarbonylContact O-C 3.53Å; R139-S152 VanDerWaalsContact O-CA 3.31Å; R139-S152 WeakPolarHBondContact O-CA 3.33Å; S152-I159 CarbonylContact O-C 3.43Å; S152-I159 VanDerWaalsContact O-CA 3.24Å; S152-I159 WeakPolarHBondContact O-CA 3.47Å; S152-I159 WeakPolarHBondContact O-CG2 3.33Å; S152-R160 PolarHBondContact N-O 3.4Å; S152-R160 PolarHBondContact O-N 2.93Å; S152-Y162 VanDerWaalsContact OG-CE2 3.22Å; S152-Y162 WeakPolarHBondContact OG-CE2 3.29Å; S152-Y162 PolarHBondContact OG-OH 3.36Å; S152-Y162 VanDerWaalsContact OG-OH 3.11Å
153	A	98.3	Very high	93.5	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	135.6	166.1	0	0	0	0	0	109	K138 R139 I159 A187 L190	K138-A153 PolarHBondContact N-O 3.37Å; R139-A153 PolarHBondContact N-O 2.87Å; R139-A153 PolarHBondContact O-N 3.15Å; A153-I159 HydrophobicContact CB-CD1 3.54Å; A153-A187 HydrophobicContact CB-CB 3.77Å; A153-L190 HydrophobicContact CB-CB 4.49Å; A153-L190 HydrophobicContact CB-CD2 3.27Å; A153-L190 HydrophobicContact CB-CG 4.43Å
154	A	98.1	Very high	93.5	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	163.7	176.7	0	0	0	0	0	112.9	H133 R136 V137 D156 G157 I158 A187	H133-A154 HydrophobicContact CB-CB 4.22Å; H133-A154 VanDerWaalsContact CE1-CB 3.43Å; H133-A154 WeakPolarHBondContact CE1-CB 3.38Å; H133-A154 VanDerWaalsContact ND1-CB 3.31Å; H133-A154 WeakPolarHBondContact ND1-CB 3.44Å; R136-A154 VanDerWaalsContact O-CA 3.24Å; R136-A154 WeakPolarHBondContact O-CA 3.25Å; R136-A154 VanDerWaalsContact O-CB 3.3Å; R136-A154 WeakPolarHBondContact O-CB 3.23Å; V137-A154 HydrophobicContact CG2-CB 4.27Å; A154-D156 WeakPolarHBondContact CB-OD1 3.37Å; A154-D156 PolarHBondContact O-N 3.34Å; A154-D156 VanDerWaalsContact O-N 3.08Å; A154-G157 PolarHBondContact O-N 3.21Å; A154-I158 PolarHBondContact N-O 2.89Å; A154-A187 CarbonylContact C-O 3.54Å; A154-A187 WeakPolarHBondContact O-CA 3.34Å; A154-A187 VanDerWaalsContact O-CB 3.31Å; A154-A187 WeakPolarHBondContact O-CB 3.33Å; A154-A187 PolarHBondContact O-N 3.48Å; A154-A187 VanDerWaalsContact O-O 3.11Å
155	E	97.2	Very high	93.7	Very high	12 Å²	12	32.7 Å²	32.7	6%	0.056	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	3.6	178.8	-65	-174.4	152.5	0	0	114	N135 R136 K138 G157 E186 K188	N135-E155 HydrophobicContact CB-CB 3.91Å; N135-E155 WeakPolarHBondContact ND2-CB 3.42Å; N135-E155 PolarHBondContact ND2-O 3.42Å; N135-E155 VanDerWaalsContact ND2-O 3.17Å; R136-E155 HydrophobicContact CB-CG 4.45Å; R136-E155 IonicContact CZ-OE1 3.83Å; R136-E155 IonicContact CZ-OE2 3.54Å; R136-E155 VanDerWaalsContact CZ-OE2 3.27Å; R136-E155 IonicContact NE-OE1 3.23Å; R136-E155 IonicContact NE-OE2 3.94Å; R136-E155 PolarHBondContact NE-OE2 2.72Å; R136-E155 VanDerWaalsContact NH2-CD 3.26Å; R136-E155 IonicContact NH2-OE1 3.05Å; R136-E155 PolarHBondContact NH2-OE1 2.92Å; R136-E155 IonicContact NH2-OE2 3.5Å; R136-E155 PolarHBondContact NH2-OE2 2.77Å; R136-E155 PolarHBondContact O-N 2.76Å; K138-E155 WeakPolarHBondContact CE-OE1 3.49Å; K138-E155 HydrophobicContact CG-CG 3.88Å; K138-E155 IonicContact NZ-OE1 2.63Å; E155-G157 PolarHBondContact O-N 2.98Å; E155-E186 HydrophobicContact CB-CB 4.4Å; E155-E186 HydrophobicContact CB-CG 4.36Å; E155-K188 HydrophobicContact CG-CD 4.49Å; E155-K188 IonicContact OE1-NZ 3.81Å; E155-K188 PolarHBondContact OE1-NZ 2.91Å
156	D	95.5	Very high	93.6	Very high	16 Å²	16	30.4 Å²	30.4	9%	0.086	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	0.6	167.1	59.2	10	0	0	0	111.6	H133 T134 N135 A154 I158 T178	H133-D156 VanDerWaalsContact CA-OD2 3.26Å; H133-D156 WeakPolarHBondContact CA-OD2 3.14Å; H133-D156 WeakPolarHBondContact CB-OD2 3.26Å; H133-D156 IonicContact CE1-OD1 2.67Å; H133-D156 IonicContact CE1-OD2 2.76Å; H133-D156 IonicContact CG-OD2 3.42Å; H133-D156 IonicContact ND1-OD1 2.67Å; H133-D156 PolarHBondContact ND1-OD1 2.7Å; H133-D156 IonicContact ND1-OD2 3.7Å; H133-D156 PolarHBondContact ND1-OD2 2.97Å; T134-D156 PolarHBondContact N-OD2 3.33Å; T134-D156 WeakPolarHBondContact OG1-CB 3.43Å; N135-D156 HydrophobicContact CB-CB 3.93Å; A154-D156 WeakPolarHBondContact CB-OD1 3.37Å; A154-D156 PolarHBondContact O-N 3.34Å; A154-D156 VanDerWaalsContact O-N 3.08Å; D156-I158 VanDerWaalsContact C-N 3.26Å; D156-I158 HydrophobicContact CB-CG1 4.46Å; D156-I158 PolarHBondContact O-N 3.48Å; D156-I158 VanDerWaalsContact OD1-CB 3.29Å; D156-I158 WeakPolarHBondContact OD1-CB 3.5Å; D156-I158 PolarHBondContact OD1-N 3.21Å; D156-T178 WeakPolarHBondContact O-CG2 3.22Å
157	G	94.3	Very high	92.7	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.165	C	C	.	.	S	Bend	trans	82.1	4.1	-179	0	0	0	0	0	113.3	A154 E155 L177 A185	A154-G157 PolarHBondContact O-N 3.21Å; E155-G157 PolarHBondContact O-N 2.98Å; G157-L177 WeakPolarHBondContact O-CB 3.3Å; G157-L177 WeakPolarHBondContact O-CG 3.37Å; G157-L177 PolarHBondContact O-N 3Å; G157-A185 WeakPolarHBondContact CA-O 3.41Å; G157-A185 PolarHBondContact N-O 2.85Å
158	I	95	Very high	91.9	Very high	24 Å²	24	34.1 Å²	34.1	12%	0.123	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	136.9	-171.9	-53.1	-178.7	0	0	0	110.4	H133 A154 D156 R160 V173 I175	H133-I158 PolarHBondContact CE1-O 3.44Å; A154-I158 PolarHBondContact N-O 2.89Å; D156-I158 VanDerWaalsContact C-N 3.26Å; D156-I158 HydrophobicContact CB-CG1 4.46Å; D156-I158 PolarHBondContact O-N 3.48Å; D156-I158 VanDerWaalsContact OD1-CB 3.29Å; D156-I158 WeakPolarHBondContact OD1-CB 3.5Å; D156-I158 PolarHBondContact OD1-N 3.21Å; I158-R160 HydrophobicContact CG2-CG 3.82Å; I158-V173 HydrophobicContact CG2-CB 4.26Å; I158-V173 HydrophobicContact CG2-CG1 3.73Å; I158-V173 HydrophobicContact CG2-CG2 3.96Å; I158-I175 WeakPolarHBondContact CA-O 3.31Å
159	I	96.2	Very high	91	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	123.8	162.9	-51.3	-58.7	0	0	0	108.1	S152 A153 L174 I175 A187 L200 V202	S152-I159 CarbonylContact O-C 3.43Å; S152-I159 VanDerWaalsContact O-CA 3.24Å; S152-I159 WeakPolarHBondContact O-CA 3.47Å; S152-I159 WeakPolarHBondContact O-CG2 3.33Å; A153-I159 HydrophobicContact CB-CD1 3.54Å; I159-L174 HydrophobicContact CG2-CB 4.4Å; I159-L174 HydrophobicContact CG2-CD2 4.45Å; I159-L174 WeakPolarHBondContact O-CA 3.13Å; I159-L174 PolarHBondContact O-N 3.34Å; I159-I175 HydrophobicContact CB-CB 3.95Å; I159-I175 HydrophobicContact CB-CG1 4.33Å; I159-I175 HydrophobicContact CG1-CB 3.95Å; I159-I175 HydrophobicContact CG1-CG1 4.48Å; I159-I175 PolarHBondContact N-O 2.95Å; I159-I175 PolarHBondContact O-N 3.45Å; I159-I175 VanDerWaalsContact O-N 3.15Å; I159-A187 HydrophobicContact CD1-CB 3.6Å; I159-L200 HydrophobicContact CG2-CD2 4.12Å; I159-V202 HydrophobicContact CD1-CG1 3.93Å; I159-V202 HydrophobicContact CD1-CG2 4.26Å; I159-V202 HydrophobicContact CG1-CG1 4.3Å; I159-V202 HydrophobicContact CG1-CG2 4.19Å
160	R	95	Very high	90.2	Very high	29 Å²	29	44.8 Å²	44.8	11%	0.109	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	152	178.6	-69.2	175	165.3	-81.6	-0.5	111.7	D132 H133 W151 S152 I158 Y162 S171 E172	D132-R160 VanDerWaalsContact CB-NH1 3.3Å; D132-R160 PolarHBondContact O-NE 3.3Å; D132-R160 PolarHBondContact O-NH2 2.99Å; H133-R160 VanDerWaalsContact CE1-CD 3.46Å; H133-R160 WeakPolarHBondContact CE1-CD 3.21Å; W151-R160 CarbonylContact C-O 3.58Å; W151-R160 WeakPolarHBondContact CA-O 3.21Å; W151-R160 WeakPolarHBondContact CB-O 3.44Å; S152-R160 PolarHBondContact N-O 3.4Å; S152-R160 PolarHBondContact O-N 2.93Å; I158-R160 HydrophobicContact CG2-CG 3.82Å; R160-Y162 HydrophobicContact CB-CE2 3.8Å; R160-S171 VanDerWaalsContact CD-OG 3.31Å; R160-S171 WeakPolarHBondContact CD-OG 3.35Å; R160-S171 PolarHBondContact NH1-O 3.06Å; R160-S171 PolarHBondContact NH1-OG 3.43Å; R160-E172 CarbonylContact C-O 3.5Å; R160-E172 VanDerWaalsContact CA-O 3.27Å; R160-E172 WeakPolarHBondContact CA-O 3.43Å
161	Q	94.7	Very high	89.8	Confident	26 Å²	26	45.4 Å²	45.4	12%	0.121	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	140.1	174.2	-178.9	172.4	-76.9	0	0	109.5	T149 S171 E172 L174 H218	T149-Q161 HydrophobicContact CG2-CG 3.64Å; Q161-S171 WeakPolarHBondContact O-CA 3.39Å; Q161-S171 WeakPolarHBondContact O-CB 2.99Å; Q161-E172 PolarHBondContact N-O 2.71Å; Q161-E172 PolarHBondContact O-N 2.88Å; Q161-L174 HydrophobicContact CB-CB 4.41Å; Q161-H218 PolarHBondContact NE2-NE2 3.43Å; Q161-H218 VanDerWaalsContact NE2-NE2 3.12Å; Q161-H218 PolarHBondContact OE1-CE1 2.98Å; Q161-H218 VanDerWaalsContact OE1-CE1 3.3Å; Q161-H218 PolarHBondContact OE1-NE2 2.94Å
162	Y	94.4	Very high	89.3	Confident	3 Å²	3	49.9 Å²	49.9	1%	0.012	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	131.1	-179.1	-56	-102.1	0	0	0	108.3	V116 F130 T149 F150 S152 R160	V116-Y162 HydrophobicContact CB-CE1 4.41Å; F130-Y162 HydrophobicContact CB-CD1 4.33Å; F130-Y162 HydrophobicContact CB-CE1 3.63Å; F130-Y162 AromaticContact CD1-CD1 3.81Å; F130-Y162 HydrophobicContact CD1-CD1 3.81Å; F130-Y162 AromaticContact CD1-CE1 3.9Å; F130-Y162 HydrophobicContact CD1-CE1 3.9Å; F130-Y162 AromaticContact CD2-CD1 3.66Å; F130-Y162 HydrophobicContact CD2-CD1 3.66Å; F130-Y162 AromaticContact CD2-CE1 3.76Å; F130-Y162 HydrophobicContact CD2-CE1 3.76Å; F130-Y162 AromaticContact CE1-CD1 3.95Å; F130-Y162 HydrophobicContact CE1-CD1 3.95Å; F130-Y162 HydrophobicContact CE1-CE1 4.5Å; F130-Y162 AromaticContact CE2-CD1 3.8Å; F130-Y162 HydrophobicContact CE2-CD1 3.8Å; F130-Y162 HydrophobicContact CE2-CE1 4.37Å; F130-Y162 AromaticContact CG-CD1 3.67Å; F130-Y162 HydrophobicContact CG-CD1 3.67Å; F130-Y162 AromaticContact CG-CE1 3.49Å; F130-Y162 HydrophobicContact CG-CE1 3.49Å; F130-Y162 VanDerWaalsContact CG-CE1 3.49Å; F130-Y162 AromaticContact CZ-CD1 3.95Å; F130-Y162 HydrophobicContact CZ-CD1 3.95Å; T149-Y162 WeakPolarHBondContact CA-O 3.5Å; T149-Y162 VanDerWaalsContact CG2-O 3.32Å; T149-Y162 WeakPolarHBondContact CG2-O 3.34Å; F150-Y162 AromaticContact CD2-CD2 3.58Å; F150-Y162 HydrophobicContact CD2-CD2 3.58Å; F150-Y162 HydrophobicContact CD2-CE2 4.31Å; F150-Y162 AromaticContact CD2-CG 4Å; F150-Y162 HydrophobicContact CD2-CG 4Å; F150-Y162 HydrophobicContact CE1-CG 4.09Å; F150-Y162 AromaticContact CE2-CD1 3.94Å; F150-Y162 HydrophobicContact CE2-CD1 3.94Å; F150-Y162 AromaticContact CE2-CD2 3.18Å; F150-Y162 HydrophobicContact CE2-CD2 3.18Å; F150-Y162 HydrophobicContact CE2-CE1 4.43Å; F150-Y162 AromaticContact CE2-CE2 3.8Å; F150-Y162 HydrophobicContact CE2-CE2 3.8Å; F150-Y162 AromaticContact CE2-CG 3.29Å; F150-Y162 HydrophobicContact CE2-CG 3.29Å; F150-Y162 HydrophobicContact CG-CD2 4.44Å; F150-Y162 AromaticContact CZ-CD1 3.81Å; F150-Y162 HydrophobicContact CZ-CD1 3.81Å; F150-Y162 AromaticContact CZ-CD2 3.8Å; F150-Y162 HydrophobicContact CZ-CD2 3.8Å; F150-Y162 AromaticContact CZ-CG 3.36Å; F150-Y162 HydrophobicContact CZ-CG 3.36Å; F150-Y162 PolarHBondContact N-O 2.68Å; F150-Y162 VanDerWaalsContact N-O 3.13Å; F150-Y162 PolarHBondContact O-N 3.41Å; S152-Y162 VanDerWaalsContact OG-CE2 3.22Å; S152-Y162 WeakPolarHBondContact OG-CE2 3.29Å; S152-Y162 PolarHBondContact OG-OH 3.36Å; S152-Y162 VanDerWaalsContact OG-OH 3.11Å; R160-Y162 HydrophobicContact CB-CE2 3.8Å
163	D	91.7	Very high	89	Confident	31 Å²	31	51.2 Å²	51.2	17%	0.166	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	111.6	171.6	-169.4	-24.6	0	0	0	109.6	N148 R165 E166	N148-D163 WeakPolarHBondContact O-CA 3.22Å; D163-R165 PolarHBondContact O-N 2.95Å; D163-R165 VanDerWaalsContact O-N 3.15Å; D163-R165 VanDerWaalsContact OD1-CB 3.28Å; D163-R165 WeakPolarHBondContact OD1-CB 3.34Å; D163-R165 WeakPolarHBondContact OD1-CG 3.42Å; D163-R165 IonicContact OD1-CZ 3.64Å; D163-R165 PolarHBondContact OD1-N 3.17Å; D163-R165 IonicContact OD1-NE 3.67Å; D163-R165 PolarHBondContact OD1-NE 3.05Å; D163-R165 IonicContact OD1-NH2 3.55Å; D163-R165 IonicContact OD2-CZ 3.66Å; D163-R165 IonicContact OD2-NE 3.7Å; D163-R165 PolarHBondContact OD2-NE 3.13Å; D163-R165 IonicContact OD2-NH2 2.85Å; D163-R165 PolarHBondContact OD2-NH2 3.25Å; D163-E166 HydrophobicContact CB-CG 4.05Å; D163-E166 PolarHBondContact O-N 2.99Å; D163-E166 VanDerWaalsContact O-N 3.09Å
164	L	91.3	Very high	88.6	Confident	36 Å²	36	51.3 Å²	51.3	19%	0.188	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-7.1	-176.7	-62.4	-177.8	0	0	0	113.9	L99 V118 F130 N148 F150	L99-L164 HydrophobicContact CD2-CD1 3.65Å; V118-L164 HydrophobicContact CG1-CD1 4.14Å; V118-L164 HydrophobicContact CG2-CD2 4.19Å; F130-L164 HydrophobicContact CZ-CD2 4.4Å; N148-L164 PolarHBondContact O-N 2.95Å; F150-L164 HydrophobicContact CE1-CD1 4.4Å; F150-L164 HydrophobicContact CE1-CD2 4.01Å; F150-L164 HydrophobicContact CE1-CG 4.16Å
165	R	89.3	Confident	88.2	Confident	161 Å²	161	51.4 Å²	51.4	61%	0.608	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82	-21.4	172.9	-59	170.3	-68.7	-178.1	2.1	111.8	N148 D163	N148-R165 HydrophobicContact CB-CG 3.76Å; D163-R165 PolarHBondContact O-N 2.95Å; D163-R165 VanDerWaalsContact O-N 3.15Å; D163-R165 VanDerWaalsContact OD1-CB 3.28Å; D163-R165 WeakPolarHBondContact OD1-CB 3.34Å; D163-R165 WeakPolarHBondContact OD1-CG 3.42Å; D163-R165 IonicContact OD1-CZ 3.64Å; D163-R165 PolarHBondContact OD1-N 3.17Å; D163-R165 IonicContact OD1-NE 3.67Å; D163-R165 PolarHBondContact OD1-NE 3.05Å; D163-R165 IonicContact OD1-NH2 3.55Å; D163-R165 IonicContact OD2-CZ 3.66Å; D163-R165 IonicContact OD2-NE 3.7Å; D163-R165 PolarHBondContact OD2-NE 3.13Å; D163-R165 IonicContact OD2-NH2 2.85Å; D163-R165 PolarHBondContact OD2-NH2 3.25Å
166	E	83.8	Confident	87.9	Confident	91 Å²	91	52 Å²	52	43%	0.425	25%	0.25	S	S	.	.	S	Bend	trans	-81.5	134.6	177.5	-62.4	-174.4	178.6	0	0	109.4	D163 S168	D163-E166 HydrophobicContact CB-CG 4.05Å; D163-E166 PolarHBondContact O-N 2.99Å; D163-E166 VanDerWaalsContact O-N 3.09Å; E166-S168 PolarHBondContact O-N 2.7Å; E166-S168 VanDerWaalsContact O-N 3.12Å
167	N	67.8	Low	87.6	Confident	170 Å²	170	51.3 Å²	51.3	91%	0.909	25%	0.247	S	C	*	.			trans	-78.8	9.3	-178.7	-155.6	14.7	0	0	0	112.7
168	S	70.1	Confident	87.2	Confident	51 Å²	51	53 Å²	53	36%	0.357	26%	0.257	S	S	.	.			trans	-83.2	135.7	179.6	104.7	0	0	0	0	109.5	E166 H170	E166-S168 PolarHBondContact O-N 2.7Å; E166-S168 VanDerWaalsContact O-N 3.12Å; S168-H170 PolarHBondContact O-N 3.04Å; S168-H170 PolarHBondContact OG-N 2.85Å; S168-H170 PolarHBondContact OG-O 2.79Å
169	K	72	Confident	86.5	Confident	160 Å²	160	55.9 Å²	55.9	70%	0.696	27%	0.27	S	S	*	.	S	Bend	trans	-81.6	19.9	169.1	-65.4	-171.8	177.7	-175.5	0	111.7	F130	F130-K169 WeakPolarHBondContact CD1-O 3.48Å
170	H	77.4	Confident	85.5	Confident	128 Å²	128	57 Å²	57	59%	0.593	28%	0.275	S	S	*	.			trans	-117.3	153.2	-176.6	-66.5	-63	0	0	0	110.1	D132 S168	D132-H170 IonicContact OD1-ND1 3.1Å; D132-H170 PolarHBondContact OD1-ND1 3.16Å; D132-H170 VanDerWaalsContact OD1-ND1 3.1Å; S168-H170 PolarHBondContact O-N 3.04Å; S168-H170 PolarHBondContact OG-N 2.85Å; S168-H170 PolarHBondContact OG-O 2.79Å
171	S	87.2	Confident	84.6	Confident	14 Å²	14	56.5 Å²	56.5	10%	0.098	28%	0.276	C	S	.	.			trans	-108.8	150.1	174.2	54.7	0	0	0	0	111.2	D132 R160 Q161	D132-S171 PolarHBondContact OD2-N 2.75Å; D132-S171 PolarHBondContact OD2-OG 3.1Å; R160-S171 VanDerWaalsContact CD-OG 3.31Å; R160-S171 WeakPolarHBondContact CD-OG 3.35Å; R160-S171 PolarHBondContact NH1-O 3.06Å; R160-S171 PolarHBondContact NH1-OG 3.43Å; Q161-S171 WeakPolarHBondContact O-CA 3.39Å; Q161-S171 WeakPolarHBondContact O-CB 2.99Å
172	E	88.6	Confident	83.8	Confident	95 Å²	95	56.6 Å²	56.6	44%	0.444	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	128.7	174.6	-62.3	-167.4	142.8	0	0	109.4	R160 Q161 L174	R160-E172 CarbonylContact C-O 3.5Å; R160-E172 VanDerWaalsContact CA-O 3.27Å; R160-E172 WeakPolarHBondContact CA-O 3.43Å; Q161-E172 PolarHBondContact N-O 2.71Å; Q161-E172 PolarHBondContact O-N 2.88Å; E172-L174 PolarHBondContact O-N 3.07Å
173	V	90.3	Very high	83.3	Confident	29 Å²	29	64.4 Å²	64.4	18%	0.176	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	116.3	167.6	170.3	0	0	0	0	107.2	I158 D176 R221	I158-V173 HydrophobicContact CG2-CB 4.26Å; I158-V173 HydrophobicContact CG2-CG1 3.73Å; I158-V173 HydrophobicContact CG2-CG2 3.96Å; V173-D176 HydrophobicContact CG1-CB 4.35Å; V173-R221 PolarHBondContact O-NH1 2.71Å; V173-R221 PolarHBondContact O-NH2 3.22Å
174	L	90	Very high	83	Confident	2 Å²	2	68.8 Å²	68.8	1%	0.01	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	-42.3	176.2	-177.6	61.9	0	0	0	112.4	I159 Q161 E172 L200 I214 I217 H218 R221	I159-L174 HydrophobicContact CG2-CB 4.4Å; I159-L174 HydrophobicContact CG2-CD2 4.45Å; I159-L174 WeakPolarHBondContact O-CA 3.13Å; I159-L174 PolarHBondContact O-N 3.34Å; Q161-L174 HydrophobicContact CB-CB 4.41Å; E172-L174 PolarHBondContact O-N 3.07Å; L174-L200 HydrophobicContact CD2-CD2 3.91Å; L174-I214 HydrophobicContact CD2-CG2 4.31Å; L174-I217 HydrophobicContact CD1-CG2 4.05Å; L174-H218 VanDerWaalsContact CD1-CE1 3.41Å; L174-H218 WeakPolarHBondContact CD1-CE1 3.4Å; L174-R221 VanDerWaalsContact C-NH2 3.26Å; L174-R221 VanDerWaalsContact O-CZ 3.25Å; L174-R221 PolarHBondContact O-NH1 3.15Å; L174-R221 PolarHBondContact O-NH2 3.02Å
175	I	90.6	Very high	83	Confident	2 Å²	2	67.4 Å²	67.4	1%	0.01	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	133.9	179.5	-51.9	-177	0	0	0	107.9	I158 I159 L177 L200 V202 Y212 I217 I242	I158-I175 WeakPolarHBondContact CA-O 3.31Å; I159-I175 HydrophobicContact CB-CB 3.95Å; I159-I175 HydrophobicContact CB-CG1 4.33Å; I159-I175 HydrophobicContact CG1-CB 3.95Å; I159-I175 HydrophobicContact CG1-CG1 4.48Å; I159-I175 PolarHBondContact N-O 2.95Å; I159-I175 PolarHBondContact O-N 3.45Å; I159-I175 VanDerWaalsContact O-N 3.15Å; I175-L177 HydrophobicContact CG2-CD2 3.99Å; I175-L177 HydrophobicContact CG2-CG 4.45Å; I175-L200 HydrophobicContact CD1-CD2 4.33Å; I175-V202 HydrophobicContact CD1-CG2 4.48Å; I175-Y212 HydrophobicContact CD1-CD1 4.26Å; I175-Y212 HydrophobicContact CD1-CD2 3.24Å; I175-Y212 HydrophobicContact CD1-CE1 4.49Å; I175-Y212 HydrophobicContact CD1-CE2 3.48Å; I175-Y212 VanDerWaalsContact CD1-CE2 3.48Å; I175-Y212 HydrophobicContact CD1-CG 3.62Å; I175-Y212 HydrophobicContact CG2-CE2 4.39Å; I175-I217 HydrophobicContact CD1-CD1 3.99Å; I175-I217 HydrophobicContact CG1-CD1 4.12Å; I175-I242 HydrophobicContact CG2-CD1 4.03Å
176	D	90.3	Very high	83.3	Confident	24 Å²	24	62.5 Å²	62.5	13%	0.128	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	102.5	171.2	-171.5	-23	0	0	0	109.1	V173 T178 E179 F180	V173-D176 HydrophobicContact CG1-CB 4.35Å; D176-T178 PolarHBondContact O-N 3.38Å; D176-T178 WeakPolarHBondContact OD1-CB 2.98Å; D176-T178 PolarHBondContact OD1-N 2.95Å; D176-T178 PolarHBondContact OD1-OG1 2.79Å; D176-E179 HydrophobicContact CB-CG 4.42Å; D176-F180 WeakPolarHBondContact O-CD2 3.25Å; D176-F180 WeakPolarHBondContact O-CE2 3.37Å
177	L	89.1	Confident	83.9	Confident	1 Å²	1	58.1 Å²	58.1	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-71.7	-21.2	-180	-61.2	174.9	0	0	0	112	G157 I175 E179 F180 C181 A185 A187 V202 A204	G157-L177 WeakPolarHBondContact O-CB 3.3Å; G157-L177 WeakPolarHBondContact O-CG 3.37Å; G157-L177 PolarHBondContact O-N 3Å; I175-L177 HydrophobicContact CG2-CD2 3.99Å; I175-L177 HydrophobicContact CG2-CG 4.45Å; L177-E179 VanDerWaalsContact C-N 3.29Å; L177-E179 PolarHBondContact O-N 3.3Å; L177-F180 PolarHBondContact O-N 2.71Å; L177-C181 WeakPolarHBondContact O-CA 3.44Å; L177-C181 VanDerWaalsContact O-CB 3.26Å; L177-C181 WeakPolarHBondContact O-CB 3.47Å; L177-C181 PolarHBondContact O-N 3.07Å; L177-A185 HydrophobicContact CB-CB 3.8Å; L177-A187 HydrophobicContact CD1-CB 3.91Å; L177-V202 HydrophobicContact CD1-CG1 4.21Å; L177-A204 HydrophobicContact CD1-CB 3.92Å
178	T	86.9	Confident	85.3	Confident	37 Å²	37	51 Å²	51	23%	0.227	26%	0.261	C	S	.	.	H	α-helix	trans	-69.2	-32.4	-175.7	71.9	0	0	0	0	112	D156 D176 G182	D156-T178 WeakPolarHBondContact O-CG2 3.22Å; D176-T178 PolarHBondContact O-N 3.38Å; D176-T178 WeakPolarHBondContact OD1-CB 2.98Å; D176-T178 PolarHBondContact OD1-N 2.95Å; D176-T178 PolarHBondContact OD1-OG1 2.79Å; T178-G182 WeakPolarHBondContact CA-O 3.44Å; T178-G182 CarbonylContact O-C 3.12Å; T178-G182 WeakPolarHBondContact O-CA 3.27Å; T178-G182 PolarHBondContact O-N 3.33Å
179	E	79.9	Confident	86.6	Confident	84 Å²	84	48.7 Å²	48.7	39%	0.393	25%	0.245	S	C	.	.	H	α-helix	trans	-70.2	-34.9	174.9	-70.2	-73.6	-174.5	0	0	112.1	D176 L177	D176-E179 HydrophobicContact CB-CG 4.42Å; L177-E179 VanDerWaalsContact C-N 3.29Å; L177-E179 PolarHBondContact O-N 3.3Å
180	F	75.1	Confident	87.8	Confident	22 Å²	22	41.3 Å²	41.3	10%	0.096	21%	0.213	C	C	.	.	H	α-helix	trans	-101.3	-32	-172.4	-48.9	-48.2	0	0	0	114.4	D176 L177 P241 I242 P504 E507	D176-F180 WeakPolarHBondContact O-CD2 3.25Å; D176-F180 WeakPolarHBondContact O-CE2 3.37Å; L177-F180 PolarHBondContact O-N 2.71Å; F180-P241 HydrophobicContact CE1-CB 4.3Å; F180-I242 HydrophobicContact CD2-CD1 3.79Å; F180-I242 HydrophobicContact CD2-CG1 3.92Å; F180-I242 HydrophobicContact CE2-CD1 3.8Å; F180-I242 HydrophobicContact CE2-CG1 3.52Å; F180-I242 HydrophobicContact CZ-CG1 3.98Å; F180-P504 VanDerWaalsContact O-CD 3.27Å; F180-P504 WeakPolarHBondContact O-CD 3.34Å; F180-E507 WeakPolarHBondContact O-CB 3.45Å; F180-E507 WeakPolarHBondContact O-CG 3.41Å
181	C	77.1	Confident	88.8	Confident	19 Å²	19	35.9 Å²	35.9	13%	0.128	19%	0.19	C	C	.	.	H	α-helix	trans	-109.4	-3.7	-173.3	-62.2	0	0	0	0	112.8	L177 A185 R210 E507	L177-C181 WeakPolarHBondContact O-CA 3.44Å; L177-C181 VanDerWaalsContact O-CB 3.26Å; L177-C181 WeakPolarHBondContact O-CB 3.47Å; L177-C181 PolarHBondContact O-N 3.07Å; C181-A185 HydrophobicContact CB-CB 3.77Å; C181-R210 PolarHBondContact SG-NH2 2.91Å; C181-E507 PolarHBondContact SG-OE1 3.25Å; C181-E507 VanDerWaalsContact SG-OE1 3.39Å
182	G	78.1	Confident	89.3	Confident	28 Å²	28	36 Å²	36	29%	0.289	19%	0.19	S	C	.	.			trans	103.1	157.9	-176.8	0	0	0	0	0	112.4	T178 L184 A185	T178-G182 WeakPolarHBondContact CA-O 3.44Å; T178-G182 CarbonylContact O-C 3.12Å; T178-G182 WeakPolarHBondContact O-CA 3.27Å; T178-G182 PolarHBondContact O-N 3.33Å; G182-L184 PolarHBondContact O-N 3.31Å; G182-A185 VanDerWaalsContact O-CB 3.25Å; G182-A185 WeakPolarHBondContact O-CB 3.41Å; G182-A185 PolarHBondContact O-N 3.35Å
183	Q	82.3	Confident	89.7	Confident	168 Å²	168	31.9 Å²	31.9	79%	0.785	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	-16.9	-171.8	-66.4	-180	-7.1	0	0	115
184	L	86.6	Confident	89.8	Confident	123 Å²	123	33.1 Å²	33.1	64%	0.644	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.8	10.1	178.5	-57.7	177.5	0	0	0	112.8	G182 N205	G182-L184 PolarHBondContact O-N 3.31Å; L184-N205 PolarHBondContact O-ND2 3.18Å
185	A	90.7	Very high	89.8	Confident	6 Å²	6	41.5 Å²	41.5	5%	0.05	21%	0.212	C	C	.	.			trans	-70.2	130.6	178.3	0	0	0	0	0	110.8	G157 L177 C181 G182 N205	G157-A185 WeakPolarHBondContact CA-O 3.41Å; G157-A185 PolarHBondContact N-O 2.85Å; L177-A185 HydrophobicContact CB-CB 3.8Å; C181-A185 HydrophobicContact CB-CB 3.77Å; G182-A185 VanDerWaalsContact O-CB 3.25Å; G182-A185 WeakPolarHBondContact O-CB 3.41Å; G182-A185 PolarHBondContact O-N 3.35Å; A185-N205 WeakPolarHBondContact CA-OD1 3.24Å
186	E	94.9	Very high	90	Very high	58 Å²	58	44 Å²	44	27%	0.271	23%	0.225	S	C	.	.			trans	-122.3	128.3	179.3	-61.8	-178.4	157.7	0	0	108.9	E155 K188 A204 N205	E155-E186 HydrophobicContact CB-CB 4.4Å; E155-E186 HydrophobicContact CB-CG 4.36Å; E186-K188 WeakPolarHBondContact OE2-CE 3.42Å; E186-K188 IonicContact OE2-NZ 2.79Å; E186-K188 PolarHBondContact OE2-NZ 3.12Å; E186-A204 WeakPolarHBondContact O-CA 3.31Å; E186-A204 VanDerWaalsContact O-CB 3.25Å; E186-A204 WeakPolarHBondContact O-CB 3.39Å; E186-N205 PolarHBondContact N-OD1 3.36Å; E186-N205 PolarHBondContact O-N 2.91Å
187	A	96.9	Very high	90.1	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	119.4	173.3	0	0	0	0	0	109.4	A153 A154 I159 L177	A153-A187 HydrophobicContact CB-CB 3.77Å; A154-A187 CarbonylContact C-O 3.54Å; A154-A187 WeakPolarHBondContact O-CA 3.34Å; A154-A187 VanDerWaalsContact O-CB 3.31Å; A154-A187 WeakPolarHBondContact O-CB 3.33Å; A154-A187 PolarHBondContact O-N 3.48Å; A154-A187 VanDerWaalsContact O-O 3.11Å; I159-A187 HydrophobicContact CD1-CB 3.6Å; L177-A187 HydrophobicContact CD1-CB 3.91Å
188	K	96.8	Very high	90.3	Very high	20 Å²	20	44.6 Å²	44.6	9%	0.087	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	-34.3	-169	-66.6	-79	-174.2	-177.1	0	112.3	K138 E155 E186 G203 V270 D530	K138-K188 VanDerWaalsContact CB-O 3.22Å; K138-K188 WeakPolarHBondContact CB-O 3.45Å; E155-K188 HydrophobicContact CG-CD 4.49Å; E155-K188 IonicContact OE1-NZ 3.81Å; E155-K188 PolarHBondContact OE1-NZ 2.91Å; E186-K188 WeakPolarHBondContact OE2-CE 3.42Å; E186-K188 IonicContact OE2-NZ 2.79Å; E186-K188 PolarHBondContact OE2-NZ 3.12Å; K188-G203 PolarHBondContact N-O 3.05Å; K188-V270 HydrophobicContact CB-CG2 4Å; K188-V270 HydrophobicContact CD-CG2 4.01Å; K188-V270 HydrophobicContact CG-CG2 3.53Å; K188-D530 IonicContact NZ-OD2 2.98Å
189	C	97.3	Very high	90.7	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.014	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	160	174.7	60.8	0	0	0	0	111.8	R139 G203 A271 Y273 V274	R139-C189 HydrophobicContact CB-CB 4.47Å; R139-C189 HydrophobicContact CG-CB 4.49Å; C189-G203 PolarHBondContact N-O 3.03Å; C189-G203 PolarHBondContact O-N 3.21Å; C189-A271 PolarHBondContact SG-O 3.09Å; C189-Y273 VanDerWaalsContact SG-C 3.58Å; C189-Y273 VanDerWaalsContact SG-CA 3.55Å; C189-V274 HydrophobicContact CB-CG2 4.43Å
190	L	98.3	Very high	91.5	Very high	5 Å²	5	42 Å²	42	3%	0.026	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	156.7	172.3	72.7	124.2	0	0	0	111.1	R139 A141 W151 A153 L200 A201	R139-L190 HydrophobicContact CB-CD2 4.3Å; R139-L190 WeakPolarHBondContact O-CD2 3.46Å; A141-L190 HydrophobicContact CB-CD1 3.23Å; A141-L190 HydrophobicContact CB-CG 3.91Å; W151-L190 HydrophobicContact CB-CD1 3.67Å; A153-L190 HydrophobicContact CB-CB 4.49Å; A153-L190 HydrophobicContact CB-CD2 3.27Å; A153-L190 HydrophobicContact CB-CG 4.43Å; L190-L200 HydrophobicContact CB-CD1 4.41Å; L190-L200 HydrophobicContact CD1-CD1 3.66Å; L190-A201 CarbonylContact C-O 3.55Å; L190-A201 WeakPolarHBondContact CA-O 3.3Å
191	A	98.2	Very high	92.7	Very high	14 Å²	14	40.9 Å²	40.9	12%	0.116	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	145.7	170.8	0	0	0	0	0	110.1	L200 A201 V274 F276	A191-L200 WeakPolarHBondContact O-CD1 3.49Å; A191-A201 PolarHBondContact N-O 3.25Å; A191-A201 PolarHBondContact O-N 3.12Å; A191-V274 HydrophobicContact CB-CG2 4.03Å; A191-F276 HydrophobicContact CB-CD2 4Å; A191-F276 HydrophobicContact CB-CE2 4.06Å; A191-F276 WeakPolarHBondContact O-CE2 3.43Å
192	V	97.6	Very high	93.7	Very high	16 Å²	16	40 Å²	40	10%	0.097	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	137.2	172.1	-179.1	0	0	0	0	108.7	A141 A143 W151 N197 L200	A141-V192 HydrophobicContact CB-CG2 4.18Å; A143-V192 HydrophobicContact CB-CB 4.19Å; A143-V192 HydrophobicContact CB-CG1 3.78Å; A143-V192 HydrophobicContact CB-CG2 4.41Å; W151-V192 HydrophobicContact CD2-CG2 4.39Å; W151-V192 HydrophobicContact CE3-CG2 3.63Å; W151-V192 HydrophobicContact CH2-CG2 4.36Å; W151-V192 HydrophobicContact CZ3-CG2 3.63Å; V192-N197 HydrophobicContact CG1-CB 3.97Å; V192-L200 HydrophobicContact CG2-CD1 3.68Å
193	N	96.6	Very high	94.6	Very high	9 Å²	9	38.7 Å²	38.7	5%	0.048	19%	0.187	C	C	.	.			trans	-64.1	124.3	178	179.6	-39	0	0	0	109.8	R195 D196 N197 Y199 F276 G280	N193-R195 VanDerWaalsContact C-N 3.26Å; N193-R195 PolarHBondContact O-N 2.86Å; N193-R195 PolarHBondContact OD1-N 3.05Å; N193-D196 WeakPolarHBondContact CB-O 3.28Å; N193-D196 CarbonylContact O-C 3.57Å; N193-D196 PolarHBondContact OD1-N 3.22Å; N193-D196 VanDerWaalsContact OD1-N 3.11Å; N193-N197 WeakPolarHBondContact O-CA 3.4Å; N193-N197 PolarHBondContact O-N 2.9Å; N193-N197 PolarHBondContact O-ND2 3.16Å; N193-Y199 PolarHBondContact N-O 3.02Å; N193-F276 HydrophobicContact CB-CD1 3.94Å; N193-F276 HydrophobicContact CB-CD2 4.16Å; N193-F276 HydrophobicContact CB-CE1 3.74Å; N193-F276 HydrophobicContact CB-CE2 3.98Å; N193-F276 HydrophobicContact CB-CG 4.13Å; N193-F276 HydrophobicContact CB-CZ 3.76Å; N193-G280 PolarHBondContact ND2-O 3.22Å; N193-G280 WeakPolarHBondContact OD1-CA 3.47Å
194	P	92	Very high	95.2	Very high	56 Å²	56	30.7 Å²	30.7	36%	0.364	15%	0.15	S	C	.	.	S	Bend	trans	-71.7	-18	-171	28.4	-36.5	0	0	0	113.8	F276	P194-F276 VanDerWaalsContact CD-CB 3.45Å; P194-F276 HydrophobicContact CG-CB 4.2Å
195	R	90.9	Very high	95.4	Very high	178 Å²	178	27.3 Å²	27.3	67%	0.672	13%	0.132	S	C	*	.	S	Bend	trans	-99.8	-39.6	178.4	-66.5	-56.6	-174.9	155.4	0.6	113	N193 P278 D279	N193-R195 VanDerWaalsContact C-N 3.26Å; N193-R195 PolarHBondContact O-N 2.86Å; N193-R195 PolarHBondContact OD1-N 3.05Å; R195-P278 PolarHBondContact NE-O 3.5Å; R195-D279 VanDerWaalsContact CG-C 3.45Å; R195-D279 VanDerWaalsContact CG-O 3.24Å; R195-D279 WeakPolarHBondContact CG-O 3.45Å
196	D	93.6	Very high	95.4	Very high	54 Å²	54	28 Å²	28	29%	0.289	14%	0.139	S	C	.	.			trans	-121.5	89.4	174.7	-172.5	-7.8	0	0	0	109.2	N193 N198 Y199	N193-D196 WeakPolarHBondContact CB-O 3.28Å; N193-D196 CarbonylContact O-C 3.57Å; N193-D196 PolarHBondContact OD1-N 3.22Å; N193-D196 VanDerWaalsContact OD1-N 3.11Å; D196-N198 PolarHBondContact O-N 2.92Å; D196-N198 VanDerWaalsContact OD1-CB 3.29Å; D196-N198 WeakPolarHBondContact OD1-CB 3.48Å; D196-N198 PolarHBondContact OD1-N 2.89Å; D196-N198 PolarHBondContact OD1-ND2 3.4Å; D196-Y199 HydrophobicContact CB-CD2 4.07Å; D196-Y199 PolarHBondContact O-N 2.86Å; D196-Y199 WeakPolarHBondContact OD2-CD2 3.22Å; D196-Y199 VanDerWaalsContact OD2-CE2 3.28Å; D196-Y199 WeakPolarHBondContact OD2-CE2 3.22Å
197	N	93.4	Very high	95.3	Very high	3 Å²	3	25.5 Å²	25.5	2%	0.016	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	2.8	-176	-62.2	169.4	0	0	0	113.9	A143 M145 V192 N193 Y199 I214	A143-N197 HydrophobicContact CB-CB 4.16Å; M145-N197 WeakPolarHBondContact CB-OD1 3.31Å; M145-N197 WeakPolarHBondContact CG-OD1 3.46Å; M145-N197 PolarHBondContact N-OD1 3Å; V192-N197 HydrophobicContact CG1-CB 3.97Å; N193-N197 WeakPolarHBondContact O-CA 3.4Å; N193-N197 PolarHBondContact O-N 2.9Å; N193-N197 PolarHBondContact O-ND2 3.16Å; N197-Y199 VanDerWaalsContact C-N 3.34Å; N197-I214 VanDerWaalsContact O-CD1 3.25Å; N197-I214 WeakPolarHBondContact O-CD1 3.33Å
198	N	93.3	Very high	95.2	Very high	35 Å²	35	25.7 Å²	25.7	19%	0.187	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-14.6	171.5	-58.2	-59.1	0	0	0	113.5	D196 I214 R215	D196-N198 PolarHBondContact O-N 2.92Å; D196-N198 VanDerWaalsContact OD1-CB 3.29Å; D196-N198 WeakPolarHBondContact OD1-CB 3.48Å; D196-N198 PolarHBondContact OD1-N 2.89Å; D196-N198 PolarHBondContact OD1-ND2 3.4Å; N198-I214 WeakPolarHBondContact O-CG1 3.2Å; N198-I214 PolarHBondContact O-N 3.24Å; N198-R215 HydrophobicContact CB-CG 3.98Å; N198-R215 PolarHBondContact ND2-NH1 3.46Å; N198-R215 VanDerWaalsContact OD1-CD 3.23Å; N198-R215 WeakPolarHBondContact OD1-CD 3.45Å; N198-R215 VanDerWaalsContact OD1-CG 3.27Å; N198-R215 WeakPolarHBondContact OD1-CG 3.25Å
199	Y	95.6	Very high	95.1	Very high	64 Å²	64	24.8 Å²	24.8	25%	0.251	13%	0.125	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	126.1	179.2	-72	-71.9	0	0	0	112	N193 D196 N197 L211 Y212 D213	N193-Y199 PolarHBondContact N-O 3.02Å; D196-Y199 HydrophobicContact CB-CD2 4.07Å; D196-Y199 PolarHBondContact O-N 2.86Å; D196-Y199 WeakPolarHBondContact OD2-CD2 3.22Å; D196-Y199 VanDerWaalsContact OD2-CE2 3.28Å; D196-Y199 WeakPolarHBondContact OD2-CE2 3.22Å; N197-Y199 VanDerWaalsContact C-N 3.34Å; Y199-L211 HydrophobicContact CD1-CD2 4.3Å; Y199-L211 HydrophobicContact CD1-CG 4.15Å; Y199-Y212 WeakPolarHBondContact CA-O 3.3Å; Y199-D213 HydrophobicContact CD1-CB 4.4Å; Y199-D213 HydrophobicContact CE1-CB 3.99Å
200	L	97.3	Very high	95	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.005	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	115.9	179.1	-179.1	72.5	0	0	0	109.8	I159 L174 I175 L190 A191 V192 V202 Y212 I214	I159-L200 HydrophobicContact CG2-CD2 4.12Å; L174-L200 HydrophobicContact CD2-CD2 3.91Å; I175-L200 HydrophobicContact CD1-CD2 4.33Å; L190-L200 HydrophobicContact CB-CD1 4.41Å; L190-L200 HydrophobicContact CD1-CD1 3.66Å; A191-L200 WeakPolarHBondContact O-CD1 3.49Å; V192-L200 HydrophobicContact CG2-CD1 3.68Å; L200-V202 HydrophobicContact CD2-CG2 4.1Å; L200-V202 HydrophobicContact CG-CG2 4.09Å; L200-Y212 PolarHBondContact N-O 3.4Å; L200-Y212 PolarHBondContact O-N 3.39Å; L200-I214 HydrophobicContact CB-CG2 3.63Å; L200-I214 HydrophobicContact CD2-CG2 4.33Å
201	A	98.4	Very high	94.9	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	136.3	170.4	0	0	0	0	0	110	L190 A191 R210 L211 V274 F276 L283	L190-A201 CarbonylContact C-O 3.55Å; L190-A201 WeakPolarHBondContact CA-O 3.3Å; A191-A201 PolarHBondContact N-O 3.25Å; A191-A201 PolarHBondContact O-N 3.12Å; A201-R210 CarbonylContact C-O 3.48Å; A201-R210 VanDerWaalsContact CA-O 3.28Å; A201-R210 WeakPolarHBondContact CA-O 3.42Å; A201-L211 HydrophobicContact CB-CD1 4.22Å; A201-V274 HydrophobicContact CB-CG2 4.21Å; A201-F276 HydrophobicContact CB-CE2 3.63Å; A201-F276 HydrophobicContact CB-CZ 3.61Å; A201-L283 HydrophobicContact CB-CD1 3.73Å; A201-L283 HydrophobicContact CB-CD2 4.19Å
202	V	98.1	Very high	94.8	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	122.4	179.4	178.3	0	0	0	0	109.5	I159 I175 L177 L200 R210 Y212	I159-V202 HydrophobicContact CD1-CG1 3.93Å; I159-V202 HydrophobicContact CD1-CG2 4.26Å; I159-V202 HydrophobicContact CG1-CG1 4.3Å; I159-V202 HydrophobicContact CG1-CG2 4.19Å; I175-V202 HydrophobicContact CD1-CG2 4.48Å; L177-V202 HydrophobicContact CD1-CG1 4.21Å; L200-V202 HydrophobicContact CD2-CG2 4.1Å; L200-V202 HydrophobicContact CG-CG2 4.09Å; V202-R210 PolarHBondContact N-O 3Å; V202-R210 PolarHBondContact O-N 2.76Å; V202-Y212 HydrophobicContact CB-CD2 4.32Å; V202-Y212 HydrophobicContact CB-CE2 4.07Å; V202-Y212 HydrophobicContact CG2-CD2 3.87Å; V202-Y212 HydrophobicContact CG2-CE2 4Å
203	G	97.3	Very high	94.6	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	135.9	169.3	0	0	0	0	0	110.7	K188 C189	K188-G203 PolarHBondContact N-O 3.05Å; C189-G203 PolarHBondContact N-O 3.03Å; C189-G203 PolarHBondContact O-N 3.21Å
204	A	95.4	Very high	94.3	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.008	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	-178.7	-179.8	0	0	0	0	0	110.5	L177 E186 A271	L177-A204 HydrophobicContact CD1-CB 3.92Å; E186-A204 WeakPolarHBondContact O-CA 3.31Å; E186-A204 VanDerWaalsContact O-CB 3.25Å; E186-A204 WeakPolarHBondContact O-CB 3.39Å; A204-A271 PolarHBondContact O-N 3.3Å
205	N	91.8	Very high	94.2	Very high	51 Å²	51	26.3 Å²	26.3	27%	0.273	12%	0.12	S	C	.	.	B	Isolated β-bridge	trans	-64.6	142.6	163	61.2	-25.5	0	0	0	111.2	L184 A185 E186	L184-N205 PolarHBondContact O-ND2 3.18Å; A185-N205 WeakPolarHBondContact CA-OD1 3.24Å; E186-N205 PolarHBondContact N-OD1 3.36Å; E186-N205 PolarHBondContact O-N 2.91Å
206	G	90.4	Very high	94.1	Very high	20 Å²	20	21.1 Å²	21.1	21%	0.206	10%	0.104	C	C	.	.	S	Bend	trans	97.2	175.8	-172.5	0	0	0	0	0	114	F208 L269	G206-F208 VanDerWaalsContact C-N 3.33Å; G206-F208 PolarHBondContact O-N 2.91Å; G206-L269 WeakPolarHBondContact CA-O 3.5Å; G206-L269 PolarHBondContact N-O 2.57Å
207	P	92.2	Very high	93.7	Very high	6 Å²	6	18.9 Å²	18.9	4%	0.039	9%	0.092	C	C	.	.	S	Bend	trans	-82.8	-7.3	-169.2	32.1	-35.6	0	0	0	114.2	V251 L255 L269 M287	P207-V251 HydrophobicContact CB-CG2 4.05Å; P207-V251 WeakPolarHBondContact O-CG2 3.46Å; P207-L255 HydrophobicContact CB-CB 3.79Å; P207-L255 HydrophobicContact CB-CD1 4.19Å; P207-L269 HydrophobicContact CB-CD1 3.92Å; P207-M287 WeakPolarHBondContact O-CE 3.17Å
208	F	93.9	Very high	93	Very high	5 Å²	5	20.7 Å²	20.7	2%	0.022	10%	0.1	C	C	.	.			trans	-97.5	132.5	-172.8	-65	-85.2	0	0	0	111.8	G206 R210 Y249 V251 P256 R511	G206-F208 VanDerWaalsContact C-N 3.33Å; G206-F208 PolarHBondContact O-N 2.91Å; F208-R210 PolarHBondContact O-NH1 3.44Å; F208-Y249 HydrophobicContact CB-CD1 4.04Å; F208-Y249 HydrophobicContact CD1-CD1 4.12Å; F208-Y249 HydrophobicContact CG-CD1 4.26Å; F208-V251 HydrophobicContact CD1-CB 3.7Å; F208-V251 HydrophobicContact CD1-CG1 4.16Å; F208-V251 HydrophobicContact CD1-CG2 4.07Å; F208-V251 HydrophobicContact CE1-CB 3.8Å; F208-V251 HydrophobicContact CE1-CG1 3.82Å; F208-V251 HydrophobicContact CE1-CG2 4Å; F208-V251 HydrophobicContact CZ-CG2 4.42Å; F208-P256 HydrophobicContact CZ-CG 4.03Å; F208-R511 HydrophobicContact CD1-CB 4.4Å; F208-R511 HydrophobicContact CD1-CG 4.04Å; F208-R511 HydrophobicContact CD2-CG 4.1Å; F208-R511 HydrophobicContact CE1-CB 3.73Å; F208-R511 HydrophobicContact CE1-CG 3.81Å; F208-R511 HydrophobicContact CE2-CB 4.32Å; F208-R511 HydrophobicContact CE2-CG 3.89Å; F208-R511 HydrophobicContact CG-CG 4.19Å; F208-R511 HydrophobicContact CZ-CB 3.7Å; F208-R511 HydrophobicContact CZ-CG 3.74Å
209	V	96.4	Very high	92	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	141.6	168.1	-179.3	0	0	0	0	109.3	Y249 Y250 A271 V274 L283 V285 M287	V209-Y249 CarbonylContact O-C 3.59Å; V209-Y249 WeakPolarHBondContact O-CA 3.42Å; V209-Y250 PolarHBondContact N-O 3.05Å; V209-Y250 PolarHBondContact O-N 2.75Å; V209-A271 HydrophobicContact CG2-CB 3.86Å; V209-V274 HydrophobicContact CG1-CG1 3.94Å; V209-L283 HydrophobicContact CG1-CD2 3.95Å; V209-V285 HydrophobicContact CB-CG2 4.38Å; V209-V285 HydrophobicContact CG1-CG2 4.18Å; V209-V285 HydrophobicContact CG2-CB 4.4Å; V209-V285 HydrophobicContact CG2-CG1 3.58Å; V209-V285 HydrophobicContact CG2-CG2 3.94Å; V209-M287 HydrophobicContact CG2-CE 4.21Å
210	R	94.5	Very high	90.9	Very high	5 Å²	5	24.3 Å²	24.3	2%	0.019	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	139.7	-170.9	-59.9	170.5	-175.6	69.6	-0.6	109.8	C181 A201 V202 F208 Y212 Q248 Y249 E507	C181-R210 PolarHBondContact SG-NH2 2.91Å; A201-R210 CarbonylContact C-O 3.48Å; A201-R210 VanDerWaalsContact CA-O 3.28Å; A201-R210 WeakPolarHBondContact CA-O 3.42Å; V202-R210 PolarHBondContact N-O 3Å; V202-R210 PolarHBondContact O-N 2.76Å; F208-R210 PolarHBondContact O-NH1 3.44Å; R210-Y212 HydrophobicContact CB-CD2 4.25Å; R210-Y212 HydrophobicContact CB-CE2 3.6Å; R210-Y212 WeakPolarHBondContact CD-OH 3.48Å; R210-Q248 CarbonylContact C-O 3.56Å; R210-Q248 WeakPolarHBondContact CA-O 3.19Å; R210-Y249 WeakPolarHBondContact CD-OH 3.43Å; R210-Y249 HydrophobicContact CG-CD1 4.07Å; R210-Y249 HydrophobicContact CG-CD2 4.34Å; R210-Y249 HydrophobicContact CG-CE1 3.72Å; R210-Y249 HydrophobicContact CG-CE2 3.95Å; R210-Y249 HydrophobicContact CG-CG 4.37Å; R210-Y249 VanDerWaalsContact NE-CE1 3.34Å; R210-Y249 PolarHBondContact NE-OH 3.16Å; R210-E507 IonicContact NH2-OE1 3.45Å; R210-E507 PolarHBondContact NH2-OE1 2.85Å
211	L	96.6	Very high	89.7	Confident	9 Å²	9	27.4 Å²	27.4	5%	0.047	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	116	173.7	-177	70.5	0	0	0	108.3	Y199 A201 G247 Q248 Y250 F276 L297	Y199-L211 HydrophobicContact CD1-CD2 4.3Å; Y199-L211 HydrophobicContact CD1-CG 4.15Å; A201-L211 HydrophobicContact CB-CD1 4.22Å; L211-G247 CarbonylContact O-C 3.51Å; L211-G247 WeakPolarHBondContact O-CA 3.44Å; L211-Q248 HydrophobicContact CB-CB 4.36Å; L211-Q248 PolarHBondContact N-O 2.86Å; L211-Q248 PolarHBondContact O-N 3.41Å; L211-Y250 HydrophobicContact CB-CD2 4.41Å; L211-Y250 HydrophobicContact CB-CE2 3.83Å; L211-Y250 HydrophobicContact CD2-CE2 4.16Å; L211-F276 HydrophobicContact CD1-CE1 3.97Å; L211-F276 HydrophobicContact CD1-CZ 3.6Å; L211-L297 HydrophobicContact CD2-CD1 4.43Å; L211-L297 HydrophobicContact CD2-CD2 4.25Å
212	Y	95.3	Very high	88.2	Confident	1 Å²	1	33.8 Å²	33.8	0%	0.004	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	139.3	-176.2	-65.9	-69.8	0	0	0	112.1	I175 Y199 L200 V202 R210 I217 I242 A246	I175-Y212 HydrophobicContact CD1-CD1 4.26Å; I175-Y212 HydrophobicContact CD1-CD2 3.24Å; I175-Y212 HydrophobicContact CD1-CE1 4.49Å; I175-Y212 HydrophobicContact CD1-CE2 3.48Å; I175-Y212 VanDerWaalsContact CD1-CE2 3.48Å; I175-Y212 HydrophobicContact CD1-CG 3.62Å; I175-Y212 HydrophobicContact CG2-CE2 4.39Å; Y199-Y212 WeakPolarHBondContact CA-O 3.3Å; L200-Y212 PolarHBondContact N-O 3.4Å; L200-Y212 PolarHBondContact O-N 3.39Å; V202-Y212 HydrophobicContact CB-CD2 4.32Å; V202-Y212 HydrophobicContact CB-CE2 4.07Å; V202-Y212 HydrophobicContact CG2-CD2 3.87Å; V202-Y212 HydrophobicContact CG2-CE2 4Å; R210-Y212 HydrophobicContact CB-CD2 4.25Å; R210-Y212 HydrophobicContact CB-CE2 3.6Å; R210-Y212 WeakPolarHBondContact CD-OH 3.48Å; Y212-I217 HydrophobicContact CD1-CD1 4.2Å; Y212-I217 HydrophobicContact CG-CD1 4.23Å; Y212-I242 HydrophobicContact CD1-CD1 4.06Å; Y212-I242 HydrophobicContact CD1-CG2 4.37Å; Y212-I242 HydrophobicContact CE1-CD1 3.26Å; Y212-I242 HydrophobicContact CE1-CG2 4.31Å; Y212-A246 CarbonylContact C-O 3.37Å; Y212-A246 VanDerWaalsContact CA-O 3.23Å; Y212-A246 WeakPolarHBondContact CA-O 3.26Å
213	D	94.1	Very high	86.5	Confident	11 Å²	11	36.8 Å²	36.8	6%	0.059	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	104.4	162.7	-170.8	-35.8	0	0	0	108.9	Y199 R215 M216 I217 A246	Y199-D213 HydrophobicContact CD1-CB 4.4Å; Y199-D213 HydrophobicContact CE1-CB 3.99Å; D213-R215 PolarHBondContact O-N 3.34Å; D213-R215 VanDerWaalsContact OD1-CB 3.28Å; D213-R215 WeakPolarHBondContact OD1-CB 3.35Å; D213-R215 IonicContact OD1-CZ 3Å; D213-R215 PolarHBondContact OD1-N 2.92Å; D213-R215 IonicContact OD1-NE 2.67Å; D213-R215 PolarHBondContact OD1-NE 3.3Å; D213-R215 IonicContact OD1-NH2 3.42Å; D213-R215 IonicContact OD2-CZ 3.65Å; D213-R215 IonicContact OD2-NE 3.85Å; D213-R215 PolarHBondContact OD2-NE 3.15Å; D213-R215 IonicContact OD2-NH2 2.7Å; D213-R215 PolarHBondContact OD2-NH2 2.98Å; D213-M216 HydrophobicContact CB-CB 4.36Å; D213-M216 HydrophobicContact CB-CG 4.06Å; D213-M216 HydrophobicContact CB-SD 4.07Å; D213-M216 PolarHBondContact O-N 3.4Å; D213-I217 PolarHBondContact O-N 2.88Å; D213-A246 PolarHBondContact N-O 3.17Å
214	I	90.9	Very high	84.9	Confident	6 Å²	6	39.7 Å²	39.7	3%	0.031	20%	0.195	C	C	.	.	H	α-helix	trans	-63.3	-28.9	-175.3	71.6	-169.8	0	0	0	111.5	W151 L174 N197 N198 L200 M216 I217 H218	W151-I214 HydrophobicContact CZ2-CD1 4.36Å; L174-I214 HydrophobicContact CD2-CG2 4.31Å; N197-I214 VanDerWaalsContact O-CD1 3.25Å; N197-I214 WeakPolarHBondContact O-CD1 3.33Å; N198-I214 WeakPolarHBondContact O-CG1 3.2Å; N198-I214 PolarHBondContact O-N 3.24Å; L200-I214 HydrophobicContact CB-CG2 3.63Å; L200-I214 HydrophobicContact CD2-CG2 4.33Å; I214-M216 VanDerWaalsContact C-N 3.35Å; I214-M216 PolarHBondContact O-N 3.31Å; I214-I217 PolarHBondContact O-N 3.14Å; I214-H218 PolarHBondContact O-N 2.85Å; I214-H218 PolarHBondContact O-ND1 3.33Å
215	R	89.7	Confident	83.4	Confident	102 Å²	102	43.4 Å²	43.4	39%	0.385	22%	0.22	S	C	.	.	H	α-helix	trans	-66.9	-40.6	-179.1	-56.8	168.9	-69.1	-163.6	3.5	110.9	N198 D213 I217 H218 N219	N198-R215 HydrophobicContact CB-CG 3.98Å; N198-R215 PolarHBondContact ND2-NH1 3.46Å; N198-R215 VanDerWaalsContact OD1-CD 3.23Å; N198-R215 WeakPolarHBondContact OD1-CD 3.45Å; N198-R215 VanDerWaalsContact OD1-CG 3.27Å; N198-R215 WeakPolarHBondContact OD1-CG 3.25Å; D213-R215 PolarHBondContact O-N 3.34Å; D213-R215 VanDerWaalsContact OD1-CB 3.28Å; D213-R215 WeakPolarHBondContact OD1-CB 3.35Å; D213-R215 IonicContact OD1-CZ 3Å; D213-R215 PolarHBondContact OD1-N 2.92Å; D213-R215 IonicContact OD1-NE 2.67Å; D213-R215 PolarHBondContact OD1-NE 3.3Å; D213-R215 IonicContact OD1-NH2 3.42Å; D213-R215 IonicContact OD2-CZ 3.65Å; D213-R215 IonicContact OD2-NE 3.85Å; D213-R215 PolarHBondContact OD2-NE 3.15Å; D213-R215 IonicContact OD2-NH2 2.7Å; D213-R215 PolarHBondContact OD2-NH2 2.98Å; R215-I217 VanDerWaalsContact C-N 3.3Å; R215-I217 PolarHBondContact O-N 3.38Å; R215-H218 PolarHBondContact O-N 2.73Å; R215-N219 WeakPolarHBondContact O-CB 3.49Å; R215-N219 PolarHBondContact O-N 2.76Å; R215-N219 PolarHBondContact O-ND2 3.42Å
216	M	87.8	Confident	81.8	Confident	69 Å²	69	48.7 Å²	48.7	34%	0.34	24%	0.244	S	C	.	.	H	α-helix	trans	-63.1	-40.5	177.7	-67.1	-176.4	68.3	0	0	110.9	D213 I214 Y220 P243 D244 A246	D213-M216 HydrophobicContact CB-CB 4.36Å; D213-M216 HydrophobicContact CB-CG 4.06Å; D213-M216 HydrophobicContact CB-SD 4.07Å; D213-M216 PolarHBondContact O-N 3.4Å; I214-M216 VanDerWaalsContact C-N 3.35Å; I214-M216 PolarHBondContact O-N 3.31Å; M216-Y220 VanDerWaalsContact O-CB 3.27Å; M216-Y220 WeakPolarHBondContact O-CB 3.42Å; M216-Y220 PolarHBondContact O-N 3.47Å; M216-Y220 VanDerWaalsContact O-N 3.08Å; M216-P243 HydrophobicContact CB-CG 4.48Å; M216-D244 WeakPolarHBondContact CE-O 2.87Å; M216-A246 HydrophobicContact CB-CB 3.59Å; M216-A246 HydrophobicContact CE-CB 4.01Å; M216-A246 HydrophobicContact CG-CB 4.39Å; M216-A246 HydrophobicContact SD-CB 4Å
217	I	85.3	Confident	80.1	Confident	7 Å²	7	53.7 Å²	53.7	4%	0.036	27%	0.266	C	S	.	.	H	α-helix	trans	-64.1	-48.9	176.3	-61.7	171.8	0	0	0	111	L174 I175 Y212 D213 I214 R215 Y220 R221 I242 A246	L174-I217 HydrophobicContact CD1-CG2 4.05Å; I175-I217 HydrophobicContact CD1-CD1 3.99Å; I175-I217 HydrophobicContact CG1-CD1 4.12Å; Y212-I217 HydrophobicContact CD1-CD1 4.2Å; Y212-I217 HydrophobicContact CG-CD1 4.23Å; D213-I217 PolarHBondContact O-N 2.88Å; I214-I217 PolarHBondContact O-N 3.14Å; R215-I217 VanDerWaalsContact C-N 3.3Å; R215-I217 PolarHBondContact O-N 3.38Å; I217-Y220 PolarHBondContact O-N 2.93Å; I217-R221 PolarHBondContact O-N 3.2Å; I217-I242 HydrophobicContact CG1-CG2 4.38Å; I217-A246 HydrophobicContact CG1-CB 4.45Å
218	H	79.4	Confident	78.2	Confident	42 Å²	42	58.1 Å²	58.1	19%	0.194	29%	0.293	C	S	.	.	H	α-helix	trans	-62.3	-46.8	179.6	-76.3	88.5	0	0	0	112.5	Q161 L174 I214 R215 Y220 R221 K222	Q161-H218 PolarHBondContact NE2-NE2 3.43Å; Q161-H218 VanDerWaalsContact NE2-NE2 3.12Å; Q161-H218 PolarHBondContact OE1-CE1 2.98Å; Q161-H218 VanDerWaalsContact OE1-CE1 3.3Å; Q161-H218 PolarHBondContact OE1-NE2 2.94Å; L174-H218 VanDerWaalsContact CD1-CE1 3.41Å; L174-H218 WeakPolarHBondContact CD1-CE1 3.4Å; I214-H218 PolarHBondContact O-N 2.85Å; I214-H218 PolarHBondContact O-ND1 3.33Å; R215-H218 PolarHBondContact O-N 2.73Å; H218-Y220 VanDerWaalsContact C-N 3.31Å; H218-Y220 PolarHBondContact O-N 3.45Å; H218-R221 PolarHBondContact O-N 3.43Å; H218-K222 PolarHBondContact O-N 2.68Å
219	N	71.5	Confident	76	Confident	103 Å²	103	63.1 Å²	63.1	55%	0.551	33%	0.328	S	S	*	.	H	α-helix	trans	-63.4	-39.4	-179.5	-72.7	-20.1	0	0	0	111.8	R215 R221 K222 S223	R215-N219 WeakPolarHBondContact O-CB 3.49Å; R215-N219 PolarHBondContact O-N 2.76Å; R215-N219 PolarHBondContact O-ND2 3.42Å; N219-R221 VanDerWaalsContact C-N 3.32Å; N219-R221 PolarHBondContact O-N 2.98Å; N219-K222 PolarHBondContact O-N 2.8Å; N219-S223 WeakPolarHBondContact O-CB 3.28Å; N219-S223 PolarHBondContact O-N 2.86Å
220	Y	71.9	Confident	73.6	Confident	72 Å²	72	68.1 Å²	68.1	28%	0.282	37%	0.369	S	S	.	.	H	α-helix	trans	-59.6	-44	176.2	-179.1	-107.8	0	0	0	111.7	M216 I217 H218 S223 L224 K240 P243	M216-Y220 VanDerWaalsContact O-CB 3.27Å; M216-Y220 WeakPolarHBondContact O-CB 3.42Å; M216-Y220 PolarHBondContact O-N 3.47Å; M216-Y220 VanDerWaalsContact O-N 3.08Å; I217-Y220 PolarHBondContact O-N 2.93Å; H218-Y220 VanDerWaalsContact C-N 3.31Å; H218-Y220 PolarHBondContact O-N 3.45Å; Y220-S223 PolarHBondContact O-N 2.95Å; Y220-L224 HydrophobicContact CD1-CD1 3.93Å; Y220-L224 HydrophobicContact CE1-CD1 3.52Å; Y220-L224 HydrophobicContact CE1-CG 4.45Å; Y220-L224 WeakPolarHBondContact O-CG 3.4Å; Y220-L224 PolarHBondContact O-N 3.35Å; Y220-L224 VanDerWaalsContact O-N 3.1Å; Y220-K240 HydrophobicContact CE1-CB 4.24Å; Y220-K240 WeakPolarHBondContact OH-CB 3.4Å; Y220-P243 HydrophobicContact CD1-CG 4.48Å; Y220-P243 HydrophobicContact CD2-CB 4.16Å; Y220-P243 HydrophobicContact CD2-CG 4.35Å; Y220-P243 HydrophobicContact CG-CB 4.32Å; Y220-P243 HydrophobicContact CG-CG 4Å
221	R	72	Confident	70.8	Confident	65 Å²	65	72.4 Å²	72.4	25%	0.245	41%	0.406	C	S	.	.	H	α-helix	trans	-69	-41.2	178	-71.6	175.7	172.4	179.1	-10.1	113.7	V173 L174 I217 H218 N219 S223 L224 S225	V173-R221 PolarHBondContact O-NH1 2.71Å; V173-R221 PolarHBondContact O-NH2 3.22Å; L174-R221 VanDerWaalsContact C-NH2 3.26Å; L174-R221 VanDerWaalsContact O-CZ 3.25Å; L174-R221 PolarHBondContact O-NH1 3.15Å; L174-R221 PolarHBondContact O-NH2 3.02Å; I217-R221 PolarHBondContact O-N 3.2Å; H218-R221 PolarHBondContact O-N 3.43Å; N219-R221 VanDerWaalsContact C-N 3.32Å; N219-R221 PolarHBondContact O-N 2.98Å; R221-S223 VanDerWaalsContact C-N 3.3Å; R221-S223 PolarHBondContact O-N 2.78Å; R221-L224 PolarHBondContact O-N 3.42Å; R221-S225 PolarHBondContact O-N 2.7Å
222	K	67.2	Low	67.9	Low	134 Å²	134	78.1 Å²	78.1	58%	0.583	44%	0.441	S	S	*	.	H	α-helix	trans	-58.5	-44.1	173.7	-75.1	-179.3	178.5	179	0	111.3	H218 N219 L224 S225 Q226	H218-K222 PolarHBondContact O-N 2.68Å; N219-K222 PolarHBondContact O-N 2.8Å; K222-L224 VanDerWaalsContact C-N 3.35Å; K222-L224 PolarHBondContact O-N 3.35Å; K222-S225 PolarHBondContact O-N 3.43Å; K222-S225 PolarHBondContact O-OG 2.99Å; K222-Q226 PolarHBondContact O-N 3.46Å
223	S	63.7	Low	65	Low	64 Å²	64	87 Å²	87	45%	0.448	48%	0.482	S	S	.	.	H	α-helix	trans	-60.1	-42.2	175.8	-179.4	0	0	0	0	112.6	N219 Y220 R221 S225 Q226 N227	N219-S223 WeakPolarHBondContact O-CB 3.28Å; N219-S223 PolarHBondContact O-N 2.86Å; Y220-S223 PolarHBondContact O-N 2.95Å; R221-S223 VanDerWaalsContact C-N 3.3Å; R221-S223 PolarHBondContact O-N 2.78Å; S223-S225 PolarHBondContact O-N 3.06Å; S223-Q226 PolarHBondContact O-N 3.08Å; S223-N227 PolarHBondContact O-ND2 3.35Å
224	L	64.1	Low	62	Low	60 Å²	60	91.8 Å²	91.8	31%	0.314	51%	0.512	S	S	.	.	H	α-helix	trans	-61.8	-43.4	175.5	-72.7	169.4	0	0	0	112.4	Y220 R221 K222 Q226 N227 K240	Y220-L224 HydrophobicContact CD1-CD1 3.93Å; Y220-L224 HydrophobicContact CE1-CD1 3.52Å; Y220-L224 HydrophobicContact CE1-CG 4.45Å; Y220-L224 WeakPolarHBondContact O-CG 3.4Å; Y220-L224 PolarHBondContact O-N 3.35Å; Y220-L224 VanDerWaalsContact O-N 3.1Å; R221-L224 PolarHBondContact O-N 3.42Å; K222-L224 VanDerWaalsContact C-N 3.35Å; K222-L224 PolarHBondContact O-N 3.35Å; L224-Q226 VanDerWaalsContact C-N 3.25Å; L224-Q226 PolarHBondContact O-N 3.5Å; L224-N227 PolarHBondContact O-N 2.87Å; L224-N227 VanDerWaalsContact O-N 3.15Å; L224-K240 HydrophobicContact CD2-CD 4.42Å
225	S	62.7	Low	59.2	Low	79 Å²	79	101 Å²	101	55%	0.552	55%	0.552	S	S	*	*	H	α-helix	trans	-64.1	-26.6	179.8	70.4	0	0	0	0	114.1	R221 K222 S223 T228	R221-S225 PolarHBondContact O-N 2.7Å; K222-S225 PolarHBondContact O-N 3.43Å; K222-S225 PolarHBondContact O-OG 2.99Å; S223-S225 PolarHBondContact O-N 3.06Å; S225-T228 PolarHBondContact O-OG1 2.88Å
226	Q	58.5	Low	56.6	Low	162 Å²	162	102.3 Å²	102.3	76%	0.757	58%	0.575	S	S	*	*	H	α-helix	trans	-78.6	-21.7	177.3	-71.2	179.8	-9.2	0	0	113.1	K222 S223 L224	K222-Q226 PolarHBondContact O-N 3.46Å; S223-Q226 PolarHBondContact O-N 3.08Å; L224-Q226 VanDerWaalsContact C-N 3.25Å; L224-Q226 PolarHBondContact O-N 3.5Å
227	N	54.9	Low	54.3	Low	126 Å²	126	105.7 Å²	105.7	67%	0.674	60%	0.595	S	S	*	*	H	α-helix	trans	-87.2	-11.8	-179.3	-74.4	-34.1	0	0	0	113.6	S223 L224 S229	S223-N227 PolarHBondContact O-ND2 3.35Å; L224-N227 PolarHBondContact O-N 2.87Å; L224-N227 VanDerWaalsContact O-N 3.15Å; N227-S229 PolarHBondContact O-N 3.22Å
228	T	52.6	Low	52.4	Low	98 Å²	98	115.6 Å²	115.6	60%	0.601	63%	0.632	S	S	*	*			trans	-95.5	78.6	176.4	49.7	0	0	0	0	110.7	S225 A230	S225-T228 PolarHBondContact O-OG1 2.88Å; T228-A230 PolarHBondContact O-N 2.98Å
229	S	46.2	Very low	51.4	Low	111 Å²	111	116.9 Å²	116.9	78%	0.776	64%	0.638	S	S	*	*			trans	-70.6	112.1	165	50.6	0	0	0	0	109.8	N227	N227-S229 PolarHBondContact O-N 3.22Å
230	A	46.6	Very low	50.8	Low	104 Å²	104	118 Å²	118	86%	0.86	64%	0.638	S	S	*	*	S	Bend	trans	57.6	78.9	162.4	0	0	0	0	0	116.9	T228	T228-A230 PolarHBondContact O-N 2.98Å
231	A	35.1	Very low	50.3	Low	95 Å²	95	117.6 Å²	117.6	79%	0.785	64%	0.644	S	S	*	*			trans	-152	136.7	151.3	0	0	0	0	0	110.9	H233	A231-H233 PolarHBondContact O-N 2.9Å
232	V	36.1	Very low	50.1	Low	130 Å²	130	116.2 Å²	116.2	79%	0.788	64%	0.641	S	S	*	*			trans	-29.8	122.2	-179.9	-178	0	0	0	0	114.3	T234	V232-T234 PolarHBondContact O-N 3.03Å; V232-T234 PolarHBondContact O-OG1 2.89Å
233	H	35	Very low	50.4	Low	188 Å²	188	111.1 Å²	111.1	87%	0.87	62%	0.622	S	S	*	*			trans	-56.3	94.2	169.4	-77.2	-79.1	0	0	0	110.4	A231	A231-H233 PolarHBondContact O-N 2.9Å
234	T	30.1	Very low	51	Low	110 Å²	110	114.1 Å²	114.1	68%	0.675	63%	0.633	S	S	*	*			trans	-93.8	115.4	164.3	-42	0	0	0	0	105.9	V232 C236	V232-T234 PolarHBondContact O-N 3.03Å; V232-T234 PolarHBondContact O-OG1 2.89Å; T234-C236 PolarHBondContact O-N 3.5Å
235	F	33.7	Very low	51.7	Low	201 Å²	201	113.3 Å²	113.3	88%	0.882	64%	0.639	S	S	*	*	S	Bend	trans	-50.3	131.8	168.5	-88.3	-104.4	0	0	0	108.3
236	C	33.5	Very low	52.7	Low	129 Å²	129	109.6 Å²	109.6	87%	0.872	61%	0.613	S	S	*	*			trans	91.3	55.1	-172	-52.8	0	0	0	0	115.9	T234 R238	T234-C236 PolarHBondContact O-N 3.5Å; C236-R238 PolarHBondContact O-N 2.92Å
237	D	39.2	Very low	54.1	Low	139 Å²	139	102.2 Å²	102.2	74%	0.743	58%	0.581	S	S	*	*			trans	-78.7	113.5	157.7	-132.8	-7.7	0	0	0	108	Q239	D237-Q239 PolarHBondContact O-N 2.85Å
238	R	45.9	Very low	55.9	Low	215 Å²	215	98.6 Å²	98.6	81%	0.811	56%	0.559	S	S	*	*			trans	-48.3	109.6	177.5	-83.2	176.3	164.3	177.1	-4.8	109.7	C236 K240	C236-R238 PolarHBondContact O-N 2.92Å; R238-K240 PolarHBondContact O-N 3.01Å; R238-K240 VanDerWaalsContact O-N 3.14Å
239	Q	58.6	Low	57.8	Low	70 Å²	70	94.1 Å²	94.1	33%	0.327	53%	0.532	S	S	.	.			trans	-70.1	114.2	-179.8	-68.2	-170.5	13.2	0	0	109.1	D237	D237-Q239 PolarHBondContact O-N 2.85Å
240	K	58.4	Low	60.2	Low	127 Å²	127	88.8 Å²	88.8	55%	0.552	50%	0.495	S	S	*	.	P	Polyproline II helix	trans	-59.2	157.7	179.6	-75.5	-178.4	-179.2	176.6	0	112.3	Y220 L224 R238	Y220-K240 HydrophobicContact CE1-CB 4.24Å; Y220-K240 WeakPolarHBondContact OH-CB 3.4Å; L224-K240 HydrophobicContact CD2-CD 4.42Å; R238-K240 PolarHBondContact O-N 3.01Å; R238-K240 VanDerWaalsContact O-N 3.14Å
241	P	61.9	Low	62.6	Low	62 Å²	62	83.9 Å²	83.9	40%	0.403	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-46	142.7	177.8	16.5	-30.9	0	0	0	113.7	F180	F180-P241 HydrophobicContact CE1-CB 4.3Å
242	I	68.3	Low	65.4	Low	36 Å²	36	79.4 Å²	79.4	19%	0.185	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-52.8	131.9	171.5	-62.6	176.1	0	0	0	107.9	I175 F180 Y212 I217 A246	I175-I242 HydrophobicContact CG2-CD1 4.03Å; F180-I242 HydrophobicContact CD2-CD1 3.79Å; F180-I242 HydrophobicContact CD2-CG1 3.92Å; F180-I242 HydrophobicContact CE2-CD1 3.8Å; F180-I242 HydrophobicContact CE2-CG1 3.52Å; F180-I242 HydrophobicContact CZ-CG1 3.98Å; Y212-I242 HydrophobicContact CD1-CD1 4.06Å; Y212-I242 HydrophobicContact CD1-CG2 4.37Å; Y212-I242 HydrophobicContact CE1-CD1 3.26Å; Y212-I242 HydrophobicContact CE1-CG2 4.31Å; I217-I242 HydrophobicContact CG1-CG2 4.38Å; I242-A246 HydrophobicContact CG2-CB 3.75Å
243	P	74.3	Confident	68	Low	28 Å²	28	73.2 Å²	73.2	18%	0.182	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-57.8	142.8	-176.5	19.2	-30.5	0	0	0	111.7	M216 Y220 G245 A246	M216-P243 HydrophobicContact CB-CG 4.48Å; Y220-P243 HydrophobicContact CD1-CG 4.48Å; Y220-P243 HydrophobicContact CD2-CB 4.16Å; Y220-P243 HydrophobicContact CD2-CG 4.35Å; Y220-P243 HydrophobicContact CG-CB 4.32Å; Y220-P243 HydrophobicContact CG-CG 4Å; P243-G245 PolarHBondContact O-N 3.27Å; P243-A246 HydrophobicContact CB-CB 4.48Å; P243-A246 HydrophobicContact CG-CB 3.75Å; P243-A246 WeakPolarHBondContact O-CB 3.33Å; P243-A246 PolarHBondContact O-N 3.03Å
244	D	74.4	Confident	70.6	Confident	126 Å²	126	64.3 Å²	64.3	67%	0.674	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	138.3	178.7	-171.8	26.4	0	0	0	110.7	M216 A246 R513	M216-D244 WeakPolarHBondContact CE-O 2.87Å; D244-A246 PolarHBondContact O-N 2.88Å; D244-R513 IonicContact OD1-NH1 2.79Å
245	G	78.8	Confident	73.5	Confident	43 Å²	43	59.1 Å²	59.1	44%	0.443	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.6	-11.2	-173.8	0	0	0	0	0	116	P243 G247	P243-G245 PolarHBondContact O-N 3.27Å; G245-G247 VanDerWaalsContact C-N 3.34Å
246	A	84.9	Confident	76.1	Confident	1 Å²	1	50.3 Å²	50.3	1%	0.008	27%	0.269	C	S	.	.	S	Bend	trans	-79.5	-14.5	178.4	0	0	0	0	0	114	Y212 D213 M216 I217 I242 P243 D244	Y212-A246 CarbonylContact C-O 3.37Å; Y212-A246 VanDerWaalsContact CA-O 3.23Å; Y212-A246 WeakPolarHBondContact CA-O 3.26Å; D213-A246 PolarHBondContact N-O 3.17Å; M216-A246 HydrophobicContact CB-CB 3.59Å; M216-A246 HydrophobicContact CE-CB 4.01Å; M216-A246 HydrophobicContact CG-CB 4.39Å; M216-A246 HydrophobicContact SD-CB 4Å; I217-A246 HydrophobicContact CG1-CB 4.45Å; I242-A246 HydrophobicContact CG2-CB 3.75Å; P243-A246 HydrophobicContact CB-CB 4.48Å; P243-A246 HydrophobicContact CG-CB 3.75Å; P243-A246 WeakPolarHBondContact O-CB 3.33Å; P243-A246 PolarHBondContact O-N 3.03Å; D244-A246 PolarHBondContact O-N 2.88Å
247	G	87.7	Confident	78.4	Confident	8 Å²	8	47 Å²	47	8%	0.082	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	135.2	175.7	0	0	0	0	0	112.4	L211 G245	L211-G247 CarbonylContact O-C 3.51Å; L211-G247 WeakPolarHBondContact O-CA 3.44Å; G245-G247 VanDerWaalsContact C-N 3.34Å
248	Q	92.6	Very high	80.4	Confident	49 Å²	49	42.3 Å²	42.3	23%	0.229	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	140.7	172.2	-63.5	173.1	21.7	0	0	110.1	R210 L211 Y250	R210-Q248 CarbonylContact C-O 3.56Å; R210-Q248 WeakPolarHBondContact CA-O 3.19Å; L211-Q248 HydrophobicContact CB-CB 4.36Å; L211-Q248 PolarHBondContact N-O 2.86Å; L211-Q248 PolarHBondContact O-N 3.41Å; Q248-Y250 HydrophobicContact CB-CE2 4.03Å; Q248-Y250 PolarHBondContact OE1-OH 3.47Å
249	Y	93.7	Very high	82.2	Confident	4 Å²	4	34.4 Å²	34.4	2%	0.016	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	140.9	-172.1	-77.7	-124.6	0	0	0	110.2	F208 V209 R210 E507 L510 R511 S514 F515	F208-Y249 HydrophobicContact CB-CD1 4.04Å; F208-Y249 HydrophobicContact CD1-CD1 4.12Å; F208-Y249 HydrophobicContact CG-CD1 4.26Å; V209-Y249 CarbonylContact O-C 3.59Å; V209-Y249 WeakPolarHBondContact O-CA 3.42Å; R210-Y249 WeakPolarHBondContact CD-OH 3.43Å; R210-Y249 HydrophobicContact CG-CD1 4.07Å; R210-Y249 HydrophobicContact CG-CD2 4.34Å; R210-Y249 HydrophobicContact CG-CE1 3.72Å; R210-Y249 HydrophobicContact CG-CE2 3.95Å; R210-Y249 HydrophobicContact CG-CG 4.37Å; R210-Y249 VanDerWaalsContact NE-CE1 3.34Å; R210-Y249 PolarHBondContact NE-OH 3.16Å; Y249-E507 VanDerWaalsContact CE1-OE1 3.32Å; Y249-E507 WeakPolarHBondContact CE1-OE1 3.24Å; Y249-E507 PolarHBondContact OH-OE2 3.09Å; Y249-L510 HydrophobicContact CD2-CB 3.91Å; Y249-L510 HydrophobicContact CE2-CB 3.86Å; Y249-L510 HydrophobicContact CE2-CD1 3.88Å; Y249-L510 HydrophobicContact CE2-CG 4.36Å; Y249-L510 HydrophobicContact CG-CB 4.37Å; Y249-R511 HydrophobicContact CD1-CG 4.02Å; Y249-R511 HydrophobicContact CE1-CG 4.19Å; Y249-S514 CarbonylContact O-C 3.54Å; Y249-S514 WeakPolarHBondContact O-CA 3.49Å; Y249-S514 WeakPolarHBondContact O-CB 3.33Å; Y249-F515 PolarHBondContact O-N 2.92Å
250	Y	96.5	Very high	83.2	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	136.1	179.5	-64.8	-93.4	0	0	0	108.6	V209 L211 Q248 F295 L297 K300 F515	V209-Y250 PolarHBondContact N-O 3.05Å; V209-Y250 PolarHBondContact O-N 2.75Å; L211-Y250 HydrophobicContact CB-CD2 4.41Å; L211-Y250 HydrophobicContact CB-CE2 3.83Å; L211-Y250 HydrophobicContact CD2-CE2 4.16Å; Q248-Y250 HydrophobicContact CB-CE2 4.03Å; Q248-Y250 PolarHBondContact OE1-OH 3.47Å; Y250-F295 HydrophobicContact CD1-CB 3.77Å; Y250-F295 AromaticContact CD1-CD1 3.74Å; Y250-F295 HydrophobicContact CD1-CD1 3.74Å; Y250-F295 AromaticContact CD1-CG 3.91Å; Y250-F295 HydrophobicContact CD1-CG 3.91Å; Y250-F295 HydrophobicContact CE1-CB 4.32Å; Y250-F295 HydrophobicContact CG-CB 4.42Å; Y250-F295 HydrophobicContact CG-CD1 4.17Å; Y250-F295 HydrophobicContact CG-CG 4.25Å; Y250-L297 HydrophobicContact CE1-CD2 3.71Å; Y250-L297 HydrophobicContact CE2-CD2 4.05Å; Y250-L297 VanDerWaalsContact CZ-CD2 3.45Å; Y250-L297 WeakPolarHBondContact OH-CD2 2.95Å; Y250-K300 WeakPolarHBondContact OH-CE 3.46Å; Y250-F515 CarbonylContact C-O 3.49Å; Y250-F515 WeakPolarHBondContact CA-O 3.35Å; Y250-F515 HydrophobicContact CD1-CB 3.75Å; Y250-F515 HydrophobicContact CE1-CB 3.82Å; Y250-F515 HydrophobicContact CE1-CD2 4.04Å; Y250-F515 HydrophobicContact CE1-CG 4.32Å
251	V	95.5	Very high	84.4	Confident	0 Å²	0	37 Å²	37	0%	0	20%	0.2	C	C	.	.			trans	-154.7	144.1	-177.5	66.9	0	0	0	0	110	P207 F208 G253 P256 P303 F306 S514 F515 D516	P207-V251 HydrophobicContact CB-CG2 4.05Å; P207-V251 WeakPolarHBondContact O-CG2 3.46Å; F208-V251 HydrophobicContact CD1-CB 3.7Å; F208-V251 HydrophobicContact CD1-CG1 4.16Å; F208-V251 HydrophobicContact CD1-CG2 4.07Å; F208-V251 HydrophobicContact CE1-CB 3.8Å; F208-V251 HydrophobicContact CE1-CG1 3.82Å; F208-V251 HydrophobicContact CE1-CG2 4Å; F208-V251 HydrophobicContact CZ-CG2 4.42Å; V251-G253 PolarHBondContact O-N 3.08Å; V251-P256 HydrophobicContact CG2-CG 3.68Å; V251-P303 HydrophobicContact CG1-CG 4.05Å; V251-F306 HydrophobicContact CG1-CE2 4.15Å; V251-S514 WeakPolarHBondContact CG1-OG 3.38Å; V251-F515 PolarHBondContact N-O 3.41Å; V251-D516 WeakPolarHBondContact O-CA 3.19Å
252	A	94.6	Very high	85.4	Confident	1 Å²	1	34.1 Å²	34.1	1%	0.008	18%	0.18	C	C	.	.			trans	-73.6	118.8	165.8	0	0	0	0	0	110	H254 L255 P256 Y293 Y517	A252-H254 PolarHBondContact O-N 2.71Å; A252-L255 HydrophobicContact CB-CD1 3.79Å; A252-L255 HydrophobicContact CB-CG 3.86Å; A252-L255 WeakPolarHBondContact O-CB 3.4Å; A252-L255 PolarHBondContact O-N 2.87Å; A252-P256 WeakPolarHBondContact O-CD 3.3Å; A252-Y293 HydrophobicContact CB-CD1 3.77Å; A252-Y293 HydrophobicContact CB-CD2 4.49Å; A252-Y293 HydrophobicContact CB-CE1 3.4Å; A252-Y293 HydrophobicContact CB-CE2 4.2Å; A252-Y293 HydrophobicContact CB-CG 4.3Å; A252-Y517 HydrophobicContact CB-CD1 3.54Å; A252-Y517 HydrophobicContact CB-CE1 3.7Å
253	G	89.8	Confident	86.1	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-21.7	-161.7	0	0	0	0	0	117.1	V251 T305 D516	V251-G253 PolarHBondContact O-N 3.08Å; G253-T305 VanDerWaalsContact O-CG2 3.27Å; G253-T305 WeakPolarHBondContact O-CG2 3.48Å; G253-T305 PolarHBondContact O-OG1 2.86Å; G253-D516 PolarHBondContact N-OD1 2.77Å
254	H	90.3	Very high	86.5	Confident	2 Å²	2	40.6 Å²	40.6	1%	0.009	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-18.3	178.5	64.3	-80.7	0	0	0	114.5	A252 K258 Y293 Y410 L440	A252-H254 PolarHBondContact O-N 2.71Å; H254-K258 PolarHBondContact O-N 2.89Å; H254-Y293 PolarHBondContact CE1-OH 3.33Å; H254-Y293 PolarHBondContact NE2-OH 2.89Å; H254-Y410 HydrophobicContact CB-CD1 4.15Å; H254-Y410 HydrophobicContact CB-CD2 3.97Å; H254-Y410 HydrophobicContact CB-CG 3.67Å; H254-Y410 AromaticContact CG-CG 3.94Å; H254-Y410 AromaticContact ND1-CD1 3.32Å; H254-Y410 VanDerWaalsContact ND1-CD1 3.32Å; H254-Y410 WeakPolarHBondContact ND1-CD1 3.27Å; H254-Y410 AromaticContact ND1-CG 3.66Å; H254-L440 HydrophobicContact CB-CD2 4.24Å
255	L	91.8	Very high	86.8	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-66.3	-42.9	-175.6	-59.4	-177.6	0	0	0	113.4	P207 A252 V257 K258 L259 Y262 L269 M287 E290 Y293	P207-L255 HydrophobicContact CB-CB 3.79Å; P207-L255 HydrophobicContact CB-CD1 4.19Å; A252-L255 HydrophobicContact CB-CD1 3.79Å; A252-L255 HydrophobicContact CB-CG 3.86Å; A252-L255 WeakPolarHBondContact O-CB 3.4Å; A252-L255 PolarHBondContact O-N 2.87Å; L255-V257 VanDerWaalsContact C-N 3.3Å; L255-V257 PolarHBondContact O-N 2.85Å; L255-K258 PolarHBondContact O-N 2.96Å; L255-L259 PolarHBondContact O-N 3.38Å; L255-Y262 HydrophobicContact CD2-CE2 4.07Å; L255-L269 HydrophobicContact CB-CD1 4.13Å; L255-L269 HydrophobicContact CD1-CD1 4.42Å; L255-L269 HydrophobicContact CD2-CD1 4.43Å; L255-M287 HydrophobicContact CD1-CG 4.38Å; L255-E290 HydrophobicContact CD1-CG 4.38Å; L255-E290 VanDerWaalsContact CD2-CD 3.42Å; L255-E290 HydrophobicContact CD2-CG 3.57Å; L255-E290 WeakPolarHBondContact CD2-OE1 3.16Å; L255-Y293 HydrophobicContact CD1-CE2 4.34Å
256	P	87.7	Confident	87	Confident	16 Å²	16	44.2 Å²	44.2	10%	0.104	21%	0.214	C	C	.	.	H	α-helix	trans	-59.5	-38.9	-178	-28.7	38.9	0	0	0	113.6	F208 V251 A252 L259 F306	F208-P256 HydrophobicContact CZ-CG 4.03Å; V251-P256 HydrophobicContact CG2-CG 3.68Å; A252-P256 WeakPolarHBondContact O-CD 3.3Å; P256-L259 WeakPolarHBondContact O-CB 3.33Å; P256-L259 PolarHBondContact O-N 2.86Å; P256-F306 HydrophobicContact CB-CZ 4.25Å; P256-F306 HydrophobicContact CG-CZ 4.02Å
257	V	81.1	Confident	87	Confident	60 Å²	60	45 Å²	45	36%	0.364	22%	0.216	S	C	.	.	H	α-helix	trans	-75.1	-30.7	179.6	170.3	0	0	0	0	112.4	L255 L259 Y442	L255-V257 VanDerWaalsContact C-N 3.3Å; L255-V257 PolarHBondContact O-N 2.85Å; V257-L259 VanDerWaalsContact C-N 3.33Å; V257-Y442 HydrophobicContact CG2-CE1 4.29Å; V257-Y442 WeakPolarHBondContact CG2-OH 3.44Å
258	K	82.9	Confident	86.9	Confident	41 Å²	41	49.4 Å²	49.4	18%	0.178	24%	0.242	C	C	.	.	H	α-helix	trans	-81.3	-7.7	175.3	-73.2	-167.5	172.4	-168	0	114.6	H254 L255 R260 D261 Y262 D406	H254-K258 PolarHBondContact O-N 2.89Å; L255-K258 PolarHBondContact O-N 2.96Å; K258-R260 PolarHBondContact O-N 2.82Å; K258-R260 VanDerWaalsContact O-N 3.14Å; K258-D261 WeakPolarHBondContact O-CA 3.26Å; K258-D261 WeakPolarHBondContact O-CB 3.48Å; K258-D261 PolarHBondContact O-N 3.28Å; K258-Y262 HydrophobicContact CB-CD2 4.12Å; K258-Y262 HydrophobicContact CB-CE2 3.73Å; K258-Y262 HydrophobicContact CD-CE1 4.45Å; K258-Y262 HydrophobicContact CD-CE2 4.35Å; K258-Y262 WeakPolarHBondContact CD-OH 3.26Å; K258-Y262 PolarHBondContact O-N 2.98Å; K258-D406 IonicContact NZ-OD1 3.01Å
259	L	82.8	Confident	86.9	Confident	49 Å²	49	47.3 Å²	47.3	26%	0.257	23%	0.232	S	C	.	.	H	α-helix	trans	-55.9	-38.5	-173.4	-168.2	69.2	0	0	0	112.5	L255 P256 V257 Y262 N263 L269	L255-L259 PolarHBondContact O-N 3.38Å; P256-L259 WeakPolarHBondContact O-CB 3.33Å; P256-L259 PolarHBondContact O-N 2.86Å; V257-L259 VanDerWaalsContact C-N 3.33Å; L259-Y262 PolarHBondContact O-N 3.49Å; L259-N263 WeakPolarHBondContact O-CB 3.27Å; L259-N263 PolarHBondContact O-N 3.33Å; L259-N263 PolarHBondContact O-OD1 3.02Å; L259-L269 HydrophobicContact CD1-CD1 3.88Å; L259-L269 HydrophobicContact CD1-CG 4.29Å
260	R	79.5	Confident	86.9	Confident	189 Å²	189	47.9 Å²	47.9	71%	0.713	24%	0.236	S	C	*	.	H	α-helix	trans	-65	-41.6	176.1	-171.4	176.3	-179.8	-176	-2.3	112.3	K258 Y262 N263 N264	K258-R260 PolarHBondContact O-N 2.82Å; K258-R260 VanDerWaalsContact O-N 3.14Å; R260-Y262 VanDerWaalsContact C-N 3.31Å; R260-Y262 PolarHBondContact O-N 3.11Å; R260-N263 PolarHBondContact O-N 2.92Å; R260-N264 WeakPolarHBondContact O-CB 3.27Å; R260-N264 PolarHBondContact O-N 2.86Å; R260-N264 PolarHBondContact O-ND2 2.67Å; R260-N264 PolarHBondContact O-OD1 2.79Å
261	D	82.6	Confident	86.9	Confident	63 Å²	63	47.9 Å²	47.9	34%	0.337	24%	0.236	S	C	.	.	H	α-helix	trans	-67.1	-34.6	178.7	-65.8	-14.6	0	0	0	111.8	K258 R265	K258-D261 WeakPolarHBondContact O-CA 3.26Å; K258-D261 WeakPolarHBondContact O-CB 3.48Å; K258-D261 PolarHBondContact O-N 3.28Å; D261-R265 WeakPolarHBondContact O-CG 3.36Å; D261-R265 PolarHBondContact O-N 3.05Å; D261-R265 PolarHBondContact O-NE 2.72Å
262	Y	84.3	Confident	87	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-70.3	-45.7	174.1	-66.4	-31.3	0	0	0	111.9	L255 K258 L259 R260 N264 R265 L266 R267 L269 E290	L255-Y262 HydrophobicContact CD2-CE2 4.07Å; K258-Y262 HydrophobicContact CB-CD2 4.12Å; K258-Y262 HydrophobicContact CB-CE2 3.73Å; K258-Y262 HydrophobicContact CD-CE1 4.45Å; K258-Y262 HydrophobicContact CD-CE2 4.35Å; K258-Y262 WeakPolarHBondContact CD-OH 3.26Å; K258-Y262 PolarHBondContact O-N 2.98Å; L259-Y262 PolarHBondContact O-N 3.49Å; R260-Y262 VanDerWaalsContact C-N 3.31Å; R260-Y262 PolarHBondContact O-N 3.11Å; Y262-N264 VanDerWaalsContact C-N 3.3Å; Y262-N264 PolarHBondContact O-N 3.39Å; Y262-R265 CarbonylContact O-C 3.59Å; Y262-R265 WeakPolarHBondContact O-CA 3.2Å; Y262-R265 PolarHBondContact O-N 2.8Å; Y262-L266 PolarHBondContact O-N 2.96Å; Y262-L266 VanDerWaalsContact O-N 3.15Å; Y262-R267 CarbonylContact C-O 3.6Å; Y262-R267 VanDerWaalsContact CE1-NH1 3.27Å; Y262-R267 PolarHBondContact O-N 2.88Å; Y262-L269 HydrophobicContact CD2-CD1 3.86Å; Y262-L269 HydrophobicContact CD2-CD2 3.99Å; Y262-L269 HydrophobicContact CD2-CG 4.04Å; Y262-L269 HydrophobicContact CE2-CD1 4.17Å; Y262-L269 HydrophobicContact CE2-CD2 4.21Å; Y262-E290 HydrophobicContact CE2-CG 4.47Å; Y262-E290 VanDerWaalsContact CZ-OE1 3.22Å; Y262-E290 PolarHBondContact OH-OE1 2.9Å
263	N	82.5	Confident	87.1	Confident	81 Å²	81	48.7 Å²	48.7	43%	0.433	24%	0.24	S	C	.	.	H	α-helix	trans	-59.9	-40.7	175.9	-70.1	-7.8	0	0	0	111.9	L259 R260 R265 L266	L259-N263 WeakPolarHBondContact O-CB 3.27Å; L259-N263 PolarHBondContact O-N 3.33Å; L259-N263 PolarHBondContact O-OD1 3.02Å; R260-N263 PolarHBondContact O-N 2.92Å; N263-R265 PolarHBondContact O-N 3.47Å; N263-L266 PolarHBondContact O-N 3.43Å
264	N	82.6	Confident	87.6	Confident	119 Å²	119	48.9 Å²	48.9	64%	0.636	24%	0.241	S	C	*	.	H	α-helix	trans	-62.8	-24.9	175.7	-70.6	-15.5	0	0	0	112.9	R260 Y262	R260-N264 WeakPolarHBondContact O-CB 3.27Å; R260-N264 PolarHBondContact O-N 2.86Å; R260-N264 PolarHBondContact O-ND2 2.67Å; R260-N264 PolarHBondContact O-OD1 2.79Å; Y262-N264 VanDerWaalsContact C-N 3.3Å; Y262-N264 PolarHBondContact O-N 3.39Å
265	R	81	Confident	87.9	Confident	116 Å²	116	50 Å²	50	44%	0.438	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	11.6	175.5	-68.6	-176	-116.5	-174.1	-5.2	113	D261 Y262 N263 R267 N627	D261-R265 WeakPolarHBondContact O-CG 3.36Å; D261-R265 PolarHBondContact O-N 3.05Å; D261-R265 PolarHBondContact O-NE 2.72Å; Y262-R265 CarbonylContact O-C 3.59Å; Y262-R265 WeakPolarHBondContact O-CA 3.2Å; Y262-R265 PolarHBondContact O-N 2.8Å; N263-R265 PolarHBondContact O-N 3.47Å; R265-R267 PolarHBondContact O-N 2.76Å; R265-R267 VanDerWaalsContact O-N 3.11Å; R265-N627 PolarHBondContact NH1-OD1 3.36Å
266	L	82.8	Confident	88.2	Confident	129 Å²	129	50.5 Å²	50.5	68%	0.675	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.3	23.2	-177.1	-54.7	172.8	0	0	0	113.5	Y262 N263 P630	Y262-L266 PolarHBondContact O-N 2.96Å; Y262-L266 VanDerWaalsContact O-N 3.15Å; N263-L266 PolarHBondContact O-N 3.43Å; L266-P630 HydrophobicContact CB-CG 3.65Å; L266-P630 HydrophobicContact CD1-CG 3.85Å; L266-P630 HydrophobicContact CG-CG 4.39Å
267	R	84.9	Confident	88.5	Confident	17 Å²	17	49.9 Å²	49.9	6%	0.064	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-89.9	117.5	175.6	-175.8	-170.5	-68.3	176.6	14.5	109.3	Y262 R265 G289 D406 M626 N627	Y262-R267 CarbonylContact C-O 3.6Å; Y262-R267 VanDerWaalsContact CE1-NH1 3.27Å; Y262-R267 PolarHBondContact O-N 2.88Å; R265-R267 PolarHBondContact O-N 2.76Å; R265-R267 VanDerWaalsContact O-N 3.11Å; R267-G289 WeakPolarHBondContact CD-O 3.23Å; R267-D406 IonicContact CZ-OD2 3.6Å; R267-D406 IonicContact NH1-OD2 3.27Å; R267-D406 PolarHBondContact NH1-OD2 3.24Å; R267-D406 IonicContact NH2-OD2 3.71Å; R267-M626 PolarHBondContact NE-O 3.34Å; R267-M626 PolarHBondContact NH2-O 2.86Å; R267-N627 VanDerWaalsContact NH2-CA 3.26Å; R267-N627 PolarHBondContact NH2-OD1 3.4Å
268	V	85.6	Confident	88.9	Confident	102 Å²	102	50.3 Å²	50.3	62%	0.618	25%	0.25	S	C	*	.	P	Polyproline II helix	trans	-94	129.7	178.4	-177.7	0	0	0	0	109.9
269	L	92.1	Very high	89.2	Confident	5 Å²	5	52.4 Å²	52.4	3%	0.026	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-88.5	132	170.5	-62.7	-172.2	0	0	0	110.4	G206 P207 L255 L259 Y262 G288 E290	G206-L269 WeakPolarHBondContact CA-O 3.5Å; G206-L269 PolarHBondContact N-O 2.57Å; P207-L269 HydrophobicContact CB-CD1 3.92Å; L255-L269 HydrophobicContact CB-CD1 4.13Å; L255-L269 HydrophobicContact CD1-CD1 4.42Å; L255-L269 HydrophobicContact CD2-CD1 4.43Å; L259-L269 HydrophobicContact CD1-CD1 3.88Å; L259-L269 HydrophobicContact CD1-CG 4.29Å; Y262-L269 HydrophobicContact CD2-CD1 3.86Å; Y262-L269 HydrophobicContact CD2-CD2 3.99Å; Y262-L269 HydrophobicContact CD2-CG 4.04Å; Y262-L269 HydrophobicContact CE2-CD1 4.17Å; Y262-L269 HydrophobicContact CE2-CD2 4.21Å; L269-G288 WeakPolarHBondContact CA-O 3.4Å; L269-E290 HydrophobicContact CD2-CB 4.16Å; L269-E290 HydrophobicContact CD2-CG 3.51Å
270	V	93.8	Very high	89.7	Confident	16 Å²	16	50.4 Å²	50.4	10%	0.097	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	133.1	-179.8	54.4	0	0	0	0	111.1	K188 T272 M287 G288	K188-V270 HydrophobicContact CB-CG2 4Å; K188-V270 HydrophobicContact CD-CG2 4.01Å; K188-V270 HydrophobicContact CG-CG2 3.53Å; V270-T272 HydrophobicContact CG1-CG2 3.79Å; V270-T272 PolarHBondContact O-N 3.28Å; V270-M287 CarbonylContact O-C 3.56Å; V270-M287 WeakPolarHBondContact O-CA 3.29Å; V270-G288 PolarHBondContact N-O 3.42Å; V270-G288 WeakPolarHBondContact O-CA 3.47Å; V270-G288 PolarHBondContact O-N 3.38Å
271	A	97.2	Very high	90.5	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	92.2	169.4	0	0	0	0	0	109.4	C189 A204 V209 Y273 V285 M287	C189-A271 PolarHBondContact SG-O 3.09Å; A204-A271 PolarHBondContact O-N 3.3Å; V209-A271 HydrophobicContact CG2-CB 3.86Å; A271-Y273 VanDerWaalsContact C-N 3.3Å; A271-Y273 PolarHBondContact O-N 3.31Å; A271-V285 HydrophobicContact CB-CG1 4.23Å; A271-M287 HydrophobicContact CB-CE 4.36Å; A271-M287 HydrophobicContact CB-SD 4.39Å
272	T	96.9	Very high	91.2	Very high	5 Å²	5	41.2 Å²	41.2	3%	0.031	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	-26.7	-178.8	57.5	0	0	0	0	112.9	V270 N286 N526 K532	V270-T272 HydrophobicContact CG1-CG2 3.79Å; V270-T272 PolarHBondContact O-N 3.28Å; T272-N286 PolarHBondContact N-O 3.3Å; T272-N286 PolarHBondContact OG1-O 2.94Å; T272-N526 PolarHBondContact OG1-ND2 2.88Å; T272-K532 PolarHBondContact OG1-O 3.02Å
273	Y	98.2	Very high	91.8	Very high	13 Å²	13	41.2 Å²	41.2	5%	0.051	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	143.3	179.3	-161.5	-102.2	0	0	0	112.3	R139 C189 A271 T275 V285 N286 K532 E533 A534 N535	R139-Y273 PolarHBondContact NH2-OH 3.02Å; C189-Y273 VanDerWaalsContact SG-C 3.58Å; C189-Y273 VanDerWaalsContact SG-CA 3.55Å; A271-Y273 VanDerWaalsContact C-N 3.3Å; A271-Y273 PolarHBondContact O-N 3.31Å; Y273-T275 HydrophobicContact CD1-CG2 4.38Å; Y273-T275 HydrophobicContact CE1-CG2 3.95Å; Y273-V285 WeakPolarHBondContact O-CA 3.16Å; Y273-N286 PolarHBondContact N-O 2.99Å; Y273-N286 PolarHBondContact O-N 2.72Å; Y273-K532 WeakPolarHBondContact CB-O 3.43Å; Y273-E533 HydrophobicContact CD1-CB 4.48Å; Y273-E533 HydrophobicContact CD2-CB 4.04Å; Y273-E533 HydrophobicContact CD2-CG 3.67Å; Y273-E533 HydrophobicContact CE1-CB 4.41Å; Y273-E533 HydrophobicContact CE2-CB 3.92Å; Y273-E533 HydrophobicContact CE2-CG 3.43Å; Y273-E533 VanDerWaalsContact CE2-CG 3.43Å; Y273-E533 WeakPolarHBondContact CE2-OE1 3.19Å; Y273-E533 HydrophobicContact CG-CB 4.3Å; Y273-E533 HydrophobicContact CG-CG 4.41Å; Y273-A534 WeakPolarHBondContact CD1-O 3.22Å; Y273-A534 WeakPolarHBondContact CE1-O 3.41Å; Y273-N535 PolarHBondContact OH-ND2 3.11Å
274	V	98.4	Very high	92.6	Very high	4 Å²	4	37.4 Å²	37.4	2%	0.024	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	139.4	172	-62.6	0	0	0	0	109.7	C189 A191 A201 V209 L283 L284 V285	C189-V274 HydrophobicContact CB-CG2 4.43Å; A191-V274 HydrophobicContact CB-CG2 4.03Å; A201-V274 HydrophobicContact CB-CG2 4.21Å; V209-V274 HydrophobicContact CG1-CG1 3.94Å; V274-L283 HydrophobicContact CB-CD1 4.4Å; V274-L284 WeakPolarHBondContact CA-O 3.34Å; V274-V285 HydrophobicContact CG1-CG1 4.36Å; V274-V285 HydrophobicContact CG1-CG2 4.13Å
275	T	97.8	Very high	93.4	Very high	24 Å²	24	31.7 Å²	31.7	15%	0.147	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	145.9	174.6	-171.2	0	0	0	0	111.2	Y273 L284 A534 F536	Y273-T275 HydrophobicContact CD1-CG2 4.38Å; Y273-T275 HydrophobicContact CE1-CG2 3.95Å; T275-L284 HydrophobicContact CG2-CB 3.91Å; T275-L284 HydrophobicContact CG2-CD2 4.05Å; T275-L284 PolarHBondContact N-O 3.21Å; T275-L284 PolarHBondContact O-N 2.8Å; T275-A534 VanDerWaalsContact CG2-O 3.29Å; T275-A534 WeakPolarHBondContact CG2-O 3.48Å; T275-F536 HydrophobicContact CG2-CD2 4.11Å; T275-F536 HydrophobicContact CG2-CE2 4.13Å
276	F	97.3	Very high	94.2	Very high	12 Å²	12	26.2 Å²	26.2	5%	0.053	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	149.2	176.2	-70.5	-91.7	0	0	0	110.7	A191 N193 P194 A201 L211 L283 L297 F536	A191-F276 HydrophobicContact CB-CD2 4Å; A191-F276 HydrophobicContact CB-CE2 4.06Å; A191-F276 WeakPolarHBondContact O-CE2 3.43Å; N193-F276 HydrophobicContact CB-CD1 3.94Å; N193-F276 HydrophobicContact CB-CD2 4.16Å; N193-F276 HydrophobicContact CB-CE1 3.74Å; N193-F276 HydrophobicContact CB-CE2 3.98Å; N193-F276 HydrophobicContact CB-CG 4.13Å; N193-F276 HydrophobicContact CB-CZ 3.76Å; P194-F276 VanDerWaalsContact CD-CB 3.45Å; P194-F276 HydrophobicContact CG-CB 4.2Å; A201-F276 HydrophobicContact CB-CE2 3.63Å; A201-F276 HydrophobicContact CB-CZ 3.61Å; L211-F276 HydrophobicContact CD1-CE1 3.97Å; L211-F276 HydrophobicContact CD1-CZ 3.6Å; F276-L283 HydrophobicContact CD1-CD1 4.18Å; F276-L283 HydrophobicContact CD2-CD1 4.3Å; F276-L283 HydrophobicContact CE1-CD1 4.09Å; F276-L283 HydrophobicContact CE2-CD1 4.2Å; F276-L283 HydrophobicContact CG-CD1 4.3Å; F276-L283 HydrophobicContact CZ-CD1 4.11Å; F276-L297 HydrophobicContact CD1-CD1 3.85Å; F276-L297 HydrophobicContact CE1-CD1 3.57Å; F276-F536 VanDerWaalsContact C-CE2 3.42Å
277	S	94.7	Very high	94.8	Very high	3 Å²	3	20.1 Å²	20.1	2%	0.021	12%	0.118	C	C	.	.			trans	-56.8	154.7	162.4	47.5	0	0	0	0	111	D279 G280 T281 E282 F536	S277-D279 PolarHBondContact O-N 3.05Å; S277-D279 VanDerWaalsContact O-N 3.08Å; S277-D279 PolarHBondContact OG-OD1 3.32Å; S277-G280 WeakPolarHBondContact O-CA 3.46Å; S277-G280 PolarHBondContact O-N 3.15Å; S277-T281 PolarHBondContact OG-N 2.96Å; S277-E282 PolarHBondContact N-O 3.39Å; S277-E282 WeakPolarHBondContact OG-CA 3.3Å; S277-E282 PolarHBondContact OG-N 3.32Å; S277-E282 PolarHBondContact OG-O 3.34Å; S277-F536 VanDerWaalsContact CA-CE2 3.42Å
278	P	88.6	Confident	95.3	Very high	68 Å²	68	19.4 Å²	19.4	44%	0.442	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-21.2	179.2	-26.5	35.3	0	0	0	115.3	R195	R195-P278 PolarHBondContact NE-O 3.5Å
279	D	90.4	Very high	95.5	Very high	85 Å²	85	14.7 Å²	14.7	46%	0.455	9%	0.087	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-3	174	64.6	18.3	0	0	0	113.5	R195 S277 T281	R195-D279 VanDerWaalsContact CG-C 3.45Å; R195-D279 VanDerWaalsContact CG-O 3.24Å; R195-D279 WeakPolarHBondContact CG-O 3.45Å; S277-D279 PolarHBondContact O-N 3.05Å; S277-D279 VanDerWaalsContact O-N 3.08Å; S277-D279 PolarHBondContact OG-OD1 3.32Å; D279-T281 HydrophobicContact CB-CG2 4.4Å; D279-T281 VanDerWaalsContact CG-OG1 3.24Å; D279-T281 PolarHBondContact O-N 2.99Å; D279-T281 WeakPolarHBondContact OD1-CB 3.26Å; D279-T281 PolarHBondContact OD1-N 2.9Å; D279-T281 PolarHBondContact OD1-OG1 2.85Å; D279-T281 PolarHBondContact OD2-OG1 3.08Å
280	G	92.9	Very high	95.7	Very high	8 Å²	8	14.5 Å²	14.5	8%	0.082	9%	0.086	C	C	.	.	S	Bend	trans	71	11.6	177.6	0	0	0	0	0	114.6	N193 S277	N193-G280 PolarHBondContact ND2-O 3.22Å; N193-G280 WeakPolarHBondContact OD1-CA 3.47Å; S277-G280 WeakPolarHBondContact O-CA 3.46Å; S277-G280 PolarHBondContact O-N 3.15Å
281	T	95.4	Very high	95.8	Very high	49 Å²	49	13.8 Å²	13.8	30%	0.301	8%	0.082	S	C	.	.	S	Bend	trans	-96.1	-16.3	-175.1	66.5	0	0	0	0	113.9	S277 D279 L297	S277-T281 PolarHBondContact OG-N 2.96Å; D279-T281 HydrophobicContact CB-CG2 4.4Å; D279-T281 VanDerWaalsContact CG-OG1 3.24Å; D279-T281 PolarHBondContact O-N 2.99Å; D279-T281 WeakPolarHBondContact OD1-CB 3.26Å; D279-T281 PolarHBondContact OD1-N 2.9Å; D279-T281 PolarHBondContact OD1-OG1 2.85Å; D279-T281 PolarHBondContact OD2-OG1 3.08Å; T281-L297 WeakPolarHBondContact O-CA 3.44Å; T281-L297 WeakPolarHBondContact O-CB 3.48Å; T281-L297 WeakPolarHBondContact O-CG 3.33Å; T281-L297 PolarHBondContact O-N 2.86Å
282	E	97.2	Very high	95.9	Very high	10 Å²	10	13.8 Å²	13.8	5%	0.047	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	147.2	177.6	-50.6	178.4	127.7	0	0	110.6	S277 L294 F295 K518 F536 K558	S277-E282 PolarHBondContact N-O 3.39Å; S277-E282 WeakPolarHBondContact OG-CA 3.3Å; S277-E282 PolarHBondContact OG-N 3.32Å; S277-E282 PolarHBondContact OG-O 3.34Å; E282-L294 HydrophobicContact CB-CD1 3.9Å; E282-L294 HydrophobicContact CB-CG 4.37Å; E282-F295 CarbonylContact C-O 3.59Å; E282-F295 VanDerWaalsContact CA-O 3.28Å; E282-F295 WeakPolarHBondContact CA-O 3.33Å; E282-K518 IonicContact OE1-NZ 3.34Å; E282-K518 PolarHBondContact OE1-NZ 2.89Å; E282-F536 HydrophobicContact CB-CZ 4.4Å; E282-K558 IonicContact OE1-NZ 3.47Å; E282-K558 IonicContact OE2-NZ 3.44Å; E282-K558 PolarHBondContact OE2-NZ 3.22Å
283	L	98.3	Very high	95.9	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	120.1	176.9	-179.3	68.7	0	0	0	109.9	A201 V209 V274 F276 V285 F295 L297	A201-L283 HydrophobicContact CB-CD1 3.73Å; A201-L283 HydrophobicContact CB-CD2 4.19Å; V209-L283 HydrophobicContact CG1-CD2 3.95Å; V274-L283 HydrophobicContact CB-CD1 4.4Å; F276-L283 HydrophobicContact CD1-CD1 4.18Å; F276-L283 HydrophobicContact CD2-CD1 4.3Å; F276-L283 HydrophobicContact CE1-CD1 4.09Å; F276-L283 HydrophobicContact CE2-CD1 4.2Å; F276-L283 HydrophobicContact CG-CD1 4.3Å; F276-L283 HydrophobicContact CZ-CD1 4.11Å; L283-V285 HydrophobicContact CD2-CG2 4.3Å; L283-V285 HydrophobicContact CG-CG2 4.13Å; L283-F295 HydrophobicContact CB-CB 4.42Å; L283-F295 PolarHBondContact N-O 3.29Å; L283-F295 PolarHBondContact O-N 3.05Å; L283-L297 HydrophobicContact CB-CD1 4.17Å; L283-L297 HydrophobicContact CB-CD2 3.88Å; L283-L297 HydrophobicContact CB-CG 4.21Å
284	L	98.6	Very high	96	Very high	0 Å²	0	13 Å²	13	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	135.1	174.7	-172.1	75	0	0	0	109.7	V274 T275 V292 L294 Y521 A534 F536 I544	V274-L284 WeakPolarHBondContact CA-O 3.34Å; T275-L284 HydrophobicContact CG2-CB 3.91Å; T275-L284 HydrophobicContact CG2-CD2 4.05Å; T275-L284 PolarHBondContact N-O 3.21Å; T275-L284 PolarHBondContact O-N 2.8Å; L284-V292 HydrophobicContact CD1-CG1 3.61Å; L284-V292 HydrophobicContact CD2-CG1 4.49Å; L284-V292 HydrophobicContact CG-CG1 3.98Å; L284-L294 HydrophobicContact CB-CD1 4.13Å; L284-L294 HydrophobicContact CD1-CB 4.22Å; L284-L294 HydrophobicContact CD1-CD1 3.95Å; L284-Y521 HydrophobicContact CD1-CD2 4.46Å; L284-Y521 HydrophobicContact CD1-CE2 4.11Å; L284-A534 HydrophobicContact CD2-CB 4.01Å; L284-F536 HydrophobicContact CB-CD2 4.41Å; L284-F536 HydrophobicContact CB-CE2 3.58Å; L284-F536 HydrophobicContact CB-CZ 3.8Å; L284-F536 HydrophobicContact CD2-CD2 4.45Å; L284-F536 HydrophobicContact CD2-CE2 4.36Å; L284-I544 HydrophobicContact CD1-CD1 4.05Å; L284-I544 HydrophobicContact CD1-CG1 4.43Å; L284-I544 HydrophobicContact CD1-CG2 4.06Å; L284-I544 HydrophobicContact CD2-CD1 4.13Å; L284-I544 HydrophobicContact CD2-CG2 3.9Å
285	V	98.6	Very high	95.9	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	124	-176.1	179.7	0	0	0	0	109.4	V209 A271 Y273 V274 L283 M287 V292 Y293 F295	V209-V285 HydrophobicContact CB-CG2 4.38Å; V209-V285 HydrophobicContact CG1-CG2 4.18Å; V209-V285 HydrophobicContact CG2-CB 4.4Å; V209-V285 HydrophobicContact CG2-CG1 3.58Å; V209-V285 HydrophobicContact CG2-CG2 3.94Å; A271-V285 HydrophobicContact CB-CG1 4.23Å; Y273-V285 WeakPolarHBondContact O-CA 3.16Å; V274-V285 HydrophobicContact CG1-CG1 4.36Å; V274-V285 HydrophobicContact CG1-CG2 4.13Å; L283-V285 HydrophobicContact CD2-CG2 4.3Å; L283-V285 HydrophobicContact CG-CG2 4.13Å; V285-M287 HydrophobicContact CG1-CE 4.15Å; V285-V292 CarbonylContact O-C 3.59Å; V285-V292 WeakPolarHBondContact O-CA 3.33Å; V285-V292 WeakPolarHBondContact O-CG1 3.48Å; V285-Y293 PolarHBondContact N-O 2.98Å; V285-Y293 PolarHBondContact O-N 3.48Å; V285-F295 HydrophobicContact CB-CD2 4.46Å; V285-F295 HydrophobicContact CB-CE2 4.04Å; V285-F295 HydrophobicContact CG2-CD2 3.74Å; V285-F295 HydrophobicContact CG2-CE2 3.65Å
286	N	98.2	Very high	95.9	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	106.9	167.7	-163.6	-7.8	0	0	0	109.5	T272 Y273 H524 N526 K532 A534 S546	T272-N286 PolarHBondContact N-O 3.3Å; T272-N286 PolarHBondContact OG1-O 2.94Å; Y273-N286 PolarHBondContact N-O 2.99Å; Y273-N286 PolarHBondContact O-N 2.72Å; N286-H524 PolarHBondContact OD1-NE2 3.11Å; N286-N526 PolarHBondContact OD1-ND2 3.47Å; N286-N526 VanDerWaalsContact OD1-ND2 3.08Å; N286-K532 WeakPolarHBondContact ND2-CB 3.37Å; N286-K532 WeakPolarHBondContact ND2-CG 3.46Å; N286-K532 PolarHBondContact ND2-O 2.88Å; N286-A534 HydrophobicContact CB-CB 3.87Å; N286-S546 PolarHBondContact ND2-OG 3.29Å
287	M	96.9	Very high	95.8	Very high	2 Å²	2	13.1 Å²	13.1	1%	0.01	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	111.1	-178.1	-168.6	66.7	67.4	0	0	109.8	P207 V209 L255 V270 A271 V285 E290 Q291 Y293	P207-M287 WeakPolarHBondContact O-CE 3.17Å; V209-M287 HydrophobicContact CG2-CE 4.21Å; L255-M287 HydrophobicContact CD1-CG 4.38Å; V270-M287 CarbonylContact O-C 3.56Å; V270-M287 WeakPolarHBondContact O-CA 3.29Å; A271-M287 HydrophobicContact CB-CE 4.36Å; A271-M287 HydrophobicContact CB-SD 4.39Å; V285-M287 HydrophobicContact CG1-CE 4.15Å; M287-E290 HydrophobicContact CB-CB 3.84Å; M287-E290 HydrophobicContact CG-CB 3.67Å; M287-E290 HydrophobicContact CG-CG 4.48Å; M287-E290 CarbonylContact O-C 3.59Å; M287-E290 VanDerWaalsContact O-CA 3.3Å; M287-E290 WeakPolarHBondContact O-CA 3.14Å; M287-E290 PolarHBondContact O-N 2.98Å; M287-Q291 WeakPolarHBondContact CB-O 3.32Å; M287-Q291 PolarHBondContact N-O 3.09Å; M287-Y293 HydrophobicContact CB-CD2 4.08Å; M287-Y293 HydrophobicContact CB-CE2 4.1Å
288	G	94.4	Very high	95.7	Very high	2 Å²	2	16.8 Å²	16.8	2%	0.021	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	143.3	169.1	0	0	0	0	0	111.5	L269 V270 E290 N526	L269-G288 WeakPolarHBondContact CA-O 3.4Å; V270-G288 PolarHBondContact N-O 3.42Å; V270-G288 WeakPolarHBondContact O-CA 3.47Å; V270-G288 PolarHBondContact O-N 3.38Å; G288-E290 PolarHBondContact O-N 2.91Å; G288-N526 CarbonylContact C-O 3.49Å; G288-N526 WeakPolarHBondContact CA-ND2 3.3Å; G288-N526 WeakPolarHBondContact CA-O 3.48Å; G288-N526 PolarHBondContact N-ND2 2.95Å
289	G	90.7	Very high	95.9	Very high	3 Å²	3	21 Å²	21	3%	0.031	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.3	-5	-165.3	0	0	0	0	0	113.9	R267 N526	R267-G289 WeakPolarHBondContact CD-O 3.23Å; G289-N526 PolarHBondContact N-O 3.14Å
290	E	94.4	Very high	95.8	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.107	C	C	.	.	S	Bend	trans	-149.5	-169.4	-163.5	-93.9	-64.4	155.8	0	0	112.5	L255 Y262 L269 M287 G288 Y293 H524	L255-E290 HydrophobicContact CD1-CG 4.38Å; L255-E290 VanDerWaalsContact CD2-CD 3.42Å; L255-E290 HydrophobicContact CD2-CG 3.57Å; L255-E290 WeakPolarHBondContact CD2-OE1 3.16Å; Y262-E290 HydrophobicContact CE2-CG 4.47Å; Y262-E290 VanDerWaalsContact CZ-OE1 3.22Å; Y262-E290 PolarHBondContact OH-OE1 2.9Å; L269-E290 HydrophobicContact CD2-CB 4.16Å; L269-E290 HydrophobicContact CD2-CG 3.51Å; M287-E290 HydrophobicContact CB-CB 3.84Å; M287-E290 HydrophobicContact CG-CB 3.67Å; M287-E290 HydrophobicContact CG-CG 4.48Å; M287-E290 CarbonylContact O-C 3.59Å; M287-E290 VanDerWaalsContact O-CA 3.3Å; M287-E290 WeakPolarHBondContact O-CA 3.14Å; M287-E290 PolarHBondContact O-N 2.98Å; G288-E290 PolarHBondContact O-N 2.91Å; E290-Y293 HydrophobicContact CB-CE2 4.33Å; E290-Y293 PolarHBondContact OE2-OH 2.84Å; E290-H524 PolarHBondContact O-CE1 3.07Å
291	Q	96.6	Very high	95.5	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.005	12%	0.124	C	C	.	.			trans	-87.4	172.9	-176.1	-55.7	-48.6	-55.3	0	0	113.6	M287 Y293 R520 C522 M626	M287-Q291 WeakPolarHBondContact CB-O 3.32Å; M287-Q291 PolarHBondContact N-O 3.09Å; Q291-Y293 HydrophobicContact CB-CE2 4.14Å; Q291-Y293 WeakPolarHBondContact O-CD2 3.47Å; Q291-Y293 VanDerWaalsContact O-CE2 3.23Å; Q291-Y293 WeakPolarHBondContact O-CE2 3.48Å; Q291-R520 HydrophobicContact CB-CG 3.9Å; Q291-R520 HydrophobicContact CG-CG 4.42Å; Q291-C522 VanDerWaalsContact OE1-CA 3.23Å; Q291-M626 PolarHBondContact NE2-SD 3.32Å
292	V	98.4	Very high	95.1	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	131.4	167.9	-173.8	0	0	0	0	109.3	L284 V285 R520 Y521 H524 A534 I544	L284-V292 HydrophobicContact CD1-CG1 3.61Å; L284-V292 HydrophobicContact CD2-CG1 4.49Å; L284-V292 HydrophobicContact CG-CG1 3.98Å; V285-V292 CarbonylContact O-C 3.59Å; V285-V292 WeakPolarHBondContact O-CA 3.33Å; V285-V292 WeakPolarHBondContact O-CG1 3.48Å; V292-R520 WeakPolarHBondContact O-CA 3.37Å; V292-Y521 HydrophobicContact CB-CD2 4.2Å; V292-Y521 HydrophobicContact CG1-CD2 4.11Å; V292-Y521 PolarHBondContact N-O 3.49Å; V292-Y521 PolarHBondContact O-N 2.93Å; V292-H524 WeakPolarHBondContact CG2-NE2 3.35Å; V292-A534 HydrophobicContact CG1-CB 4.04Å; V292-A534 HydrophobicContact CG2-CB 4.29Å; V292-I544 HydrophobicContact CG1-CG2 4.46Å
293	Y	98.6	Very high	94.3	Very high	1 Å²	1	28 Å²	28	0%	0.004	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	138.2	-178.3	-64.6	-81.9	0	0	0	111.1	A252 H254 L255 V285 M287 E290 Q291 Y517 R520	A252-Y293 HydrophobicContact CB-CD1 3.77Å; A252-Y293 HydrophobicContact CB-CD2 4.49Å; A252-Y293 HydrophobicContact CB-CE1 3.4Å; A252-Y293 HydrophobicContact CB-CE2 4.2Å; A252-Y293 HydrophobicContact CB-CG 4.3Å; H254-Y293 PolarHBondContact CE1-OH 3.33Å; H254-Y293 PolarHBondContact NE2-OH 2.89Å; L255-Y293 HydrophobicContact CD1-CE2 4.34Å; V285-Y293 PolarHBondContact N-O 2.98Å; V285-Y293 PolarHBondContact O-N 3.48Å; M287-Y293 HydrophobicContact CB-CD2 4.08Å; M287-Y293 HydrophobicContact CB-CE2 4.1Å; E290-Y293 HydrophobicContact CB-CE2 4.33Å; E290-Y293 PolarHBondContact OE2-OH 2.84Å; Q291-Y293 HydrophobicContact CB-CE2 4.14Å; Q291-Y293 WeakPolarHBondContact O-CD2 3.47Å; Q291-Y293 VanDerWaalsContact O-CE2 3.23Å; Q291-Y293 WeakPolarHBondContact O-CE2 3.48Å; Y293-Y517 AromaticContact CD1-CD1 3.7Å; Y293-Y517 HydrophobicContact CD1-CD1 3.7Å; Y293-Y517 HydrophobicContact CD1-CD2 4.11Å; Y293-Y517 HydrophobicContact CD1-CE1 4.11Å; Y293-Y517 AromaticContact CD1-CG 3.68Å; Y293-Y517 HydrophobicContact CD1-CG 3.68Å; Y293-Y517 AromaticContact CE1-CD1 3.95Å; Y293-Y517 HydrophobicContact CE1-CD1 3.95Å; Y293-Y517 AromaticContact CE1-CE1 3.91Å; Y293-Y517 HydrophobicContact CE1-CE1 3.91Å; Y293-Y517 HydrophobicContact CE1-CG 4.31Å; Y293-R520 HydrophobicContact CD1-CB 4.15Å; Y293-R520 HydrophobicContact CD1-CG 4Å; Y293-R520 HydrophobicContact CE1-CB 4.14Å; Y293-R520 HydrophobicContact CE1-CG 3.62Å
294	L	98.5	Very high	93	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	123.4	171.2	-175.9	77	0	0	0	109.5	E282 L284 K518 H519 Y521 F536 K558	E282-L294 HydrophobicContact CB-CD1 3.9Å; E282-L294 HydrophobicContact CB-CG 4.37Å; L284-L294 HydrophobicContact CB-CD1 4.13Å; L284-L294 HydrophobicContact CD1-CB 4.22Å; L284-L294 HydrophobicContact CD1-CD1 3.95Å; L294-K518 HydrophobicContact CD2-CD 4.44Å; L294-K518 WeakPolarHBondContact O-CA 3.43Å; L294-K518 WeakPolarHBondContact O-CB 3.37Å; L294-K518 PolarHBondContact O-N 3.31Å; L294-H519 HydrophobicContact CB-CB 4.15Å; L294-H519 HydrophobicContact CD2-CB 4.44Å; L294-H519 PolarHBondContact N-O 2.77Å; L294-H519 PolarHBondContact O-N 3.27Å; L294-Y521 HydrophobicContact CB-CE2 4.01Å; L294-F536 HydrophobicContact CD1-CE1 3.76Å; L294-F536 HydrophobicContact CD1-CZ 3.5Å; L294-F536 VanDerWaalsContact CD1-CZ 3.5Å; L294-K558 HydrophobicContact CD2-CD 4Å; L294-K558 HydrophobicContact CD2-CG 4.12Å
295	F	98.1	Very high	91.1	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.009	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	138	176.5	-62	-86.3	0	0	0	110.7	Y250 E282 L283 V285 D516	Y250-F295 HydrophobicContact CD1-CB 3.77Å; Y250-F295 AromaticContact CD1-CD1 3.74Å; Y250-F295 HydrophobicContact CD1-CD1 3.74Å; Y250-F295 AromaticContact CD1-CG 3.91Å; Y250-F295 HydrophobicContact CD1-CG 3.91Å; Y250-F295 HydrophobicContact CE1-CB 4.32Å; Y250-F295 HydrophobicContact CG-CB 4.42Å; Y250-F295 HydrophobicContact CG-CD1 4.17Å; Y250-F295 HydrophobicContact CG-CG 4.25Å; E282-F295 CarbonylContact C-O 3.59Å; E282-F295 VanDerWaalsContact CA-O 3.28Å; E282-F295 WeakPolarHBondContact CA-O 3.33Å; L283-F295 HydrophobicContact CB-CB 4.42Å; L283-F295 PolarHBondContact N-O 3.29Å; L283-F295 PolarHBondContact O-N 3.05Å; V285-F295 HydrophobicContact CB-CD2 4.46Å; V285-F295 HydrophobicContact CB-CE2 4.04Å; V285-F295 HydrophobicContact CG2-CD2 3.74Å; V285-F295 HydrophobicContact CG2-CE2 3.65Å; F295-D516 WeakPolarHBondContact CD1-O 3.27Å
296	D	96.1	Very high	89	Confident	20 Å²	20	33.9 Å²	33.9	11%	0.107	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	120.6	172.6	-160	-51.2	0	0	0	109.1	T298 F299 K518	D296-T298 WeakPolarHBondContact OD1-CA 3.44Å; D296-T298 WeakPolarHBondContact OD1-CB 3.37Å; D296-T298 PolarHBondContact OD1-N 3.23Å; D296-F299 PolarHBondContact OD1-N 3.39Å; D296-K518 HydrophobicContact CB-CB 4.31Å; D296-K518 HydrophobicContact CB-CD 4.07Å; D296-K518 IonicContact OD2-NZ 3.33Å; D296-K518 PolarHBondContact OD2-NZ 2.9Å
297	L	95.7	Very high	86.9	Confident	21 Å²	21	36.6 Å²	36.6	11%	0.11	17%	0.172	C	C	.	.	S	Bend	trans	-88.3	-10.4	-179.8	-50	-179.9	0	0	0	112	L211 Y250 F276 T281 L283 K300	L211-L297 HydrophobicContact CD2-CD1 4.43Å; L211-L297 HydrophobicContact CD2-CD2 4.25Å; Y250-L297 HydrophobicContact CE1-CD2 3.71Å; Y250-L297 HydrophobicContact CE2-CD2 4.05Å; Y250-L297 VanDerWaalsContact CZ-CD2 3.45Å; Y250-L297 WeakPolarHBondContact OH-CD2 2.95Å; F276-L297 HydrophobicContact CD1-CD1 3.85Å; F276-L297 HydrophobicContact CE1-CD1 3.57Å; T281-L297 WeakPolarHBondContact O-CA 3.44Å; T281-L297 WeakPolarHBondContact O-CB 3.48Å; T281-L297 WeakPolarHBondContact O-CG 3.33Å; T281-L297 PolarHBondContact O-N 2.86Å; L283-L297 HydrophobicContact CB-CD1 4.17Å; L283-L297 HydrophobicContact CB-CD2 3.88Å; L283-L297 HydrophobicContact CB-CG 4.21Å; L297-K300 WeakPolarHBondContact O-CE 3.49Å
298	T	93.9	Very high	84.5	Confident	81 Å²	81	38.5 Å²	38.5	50%	0.497	18%	0.182	S	C	.	.	S	Bend	trans	-98.1	-53.4	-179.8	-51.8	0	0	0	0	110.6	D296	D296-T298 WeakPolarHBondContact OD1-CA 3.44Å; D296-T298 WeakPolarHBondContact OD1-CB 3.37Å; D296-T298 PolarHBondContact OD1-N 3.23Å
299	F	90.8	Very high	81.9	Confident	157 Å²	157	43 Å²	43	69%	0.689	21%	0.211	S	C	*	.	S	Bend	trans	-106	72.1	-178.1	-61.1	-75.6	0	0	0	110.8	D296	D296-F299 PolarHBondContact OD1-N 3.39Å
300	K	90.2	Very high	79.2	Confident	76 Å²	76	52.3 Å²	52.3	33%	0.33	25%	0.25	S	S	.	.			trans	-72.3	133	-174.2	-51.7	176.4	-169.4	174	0	110.9	Y250 L297 F515	Y250-K300 WeakPolarHBondContact OH-CE 3.46Å; L297-K300 WeakPolarHBondContact O-CE 3.49Å; K300-F515 HydrophobicContact CB-CB 4.36Å; K300-F515 HydrophobicContact CB-CD1 3.44Å; K300-F515 VanDerWaalsContact CB-CD1 3.44Å; K300-F515 HydrophobicContact CB-CD2 4.33Å; K300-F515 HydrophobicContact CB-CE1 3.65Å; K300-F515 HydrophobicContact CB-CG 3.79Å; K300-F515 HydrophobicContact CB-CZ 4.2Å; K300-F515 HydrophobicContact CD-CD1 4.31Å; K300-F515 HydrophobicContact CD-CD2 3.85Å; K300-F515 HydrophobicContact CD-CE1 4.07Å; K300-F515 HydrophobicContact CD-CE2 3.62Å; K300-F515 HydrophobicContact CD-CG 4.19Å; K300-F515 HydrophobicContact CD-CZ 3.72Å; K300-F515 HydrophobicContact CG-CD1 4.39Å; K300-F515 HydrophobicContact CG-CD2 4.47Å; K300-F515 HydrophobicContact CG-CE1 4.48Å; K300-F515 HydrophobicContact CG-CG 4.36Å
301	Q	85.4	Confident	76.4	Confident	93 Å²	93	57.2 Å²	57.2	44%	0.435	28%	0.275	S	S	.	.			trans	-114.7	140.7	174.6	-65.3	-178.7	4.6	0	0	109	F515 D516	Q301-F515 CarbonylContact O-C 3.5Å; Q301-F515 VanDerWaalsContact O-CA 3.26Å; Q301-F515 WeakPolarHBondContact O-CA 3.33Å; Q301-D516 PolarHBondContact O-N 2.92Å
302	R	86.6	Confident	73.5	Confident	129 Å²	129	61 Å²	61	49%	0.487	30%	0.3	S	S	.	.			trans	-79.3	144.9	173.9	-72.6	-168.4	175.9	-135.7	0.4	110.1	Y304 V307 F515	R302-Y304 PolarHBondContact O-N 3.4Å; R302-V307 HydrophobicContact CB-CG2 3.49Å; R302-V307 VanDerWaalsContact CB-CG2 3.49Å; R302-F515 HydrophobicContact CG-CD1 4.46Å
303	P	81.4	Confident	70.1	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	34%	0.341	C	S	.	.			trans	-59.2	127.9	173.6	-22.8	32.5	0	0	0	110.4	V251 T305 F306 V307 S514 D516	V251-P303 HydrophobicContact CG1-CG 4.05Å; P303-T305 WeakPolarHBondContact CB-OG1 3.41Å; P303-T305 PolarHBondContact O-N 3.11Å; P303-F306 HydrophobicContact CB-CD2 3.54Å; P303-F306 HydrophobicContact CB-CE2 3.96Å; P303-F306 HydrophobicContact CG-CD2 3.61Å; P303-F306 HydrophobicContact CG-CE2 3.91Å; P303-F306 PolarHBondContact O-N 2.9Å; P303-V307 WeakPolarHBondContact O-CG2 3.33Å; P303-V307 PolarHBondContact O-N 3.41Å; P303-S514 WeakPolarHBondContact CD-O 3.04Å; P303-D516 HydrophobicContact CB-CB 4.18Å; P303-D516 HydrophobicContact CG-CB 3.92Å
304	Y	71.5	Confident	66.8	Low	60 Å²	60	74.8 Å²	74.8	24%	0.235	38%	0.377	C	S	.	.	H	α-helix	trans	-54.4	-30.9	-179.9	-66.7	-77.3	0	0	0	112.4	R302 F306 V307 L308 Y410 R414 V417	R302-Y304 PolarHBondContact O-N 3.4Å; Y304-F306 VanDerWaalsContact C-N 3.26Å; Y304-F306 PolarHBondContact O-N 3.46Å; Y304-V307 PolarHBondContact O-N 3.04Å; Y304-L308 WeakPolarHBondContact O-CD1 2.95Å; Y304-L308 VanDerWaalsContact O-CG 3.25Å; Y304-L308 WeakPolarHBondContact O-CG 3.47Å; Y304-L308 PolarHBondContact O-N 3.14Å; Y304-Y410 PolarHBondContact N-OH 3.49Å; Y304-R414 HydrophobicContact CD2-CG 3.83Å; Y304-R414 HydrophobicContact CE2-CB 4.35Å; Y304-R414 HydrophobicContact CE2-CG 3.79Å; Y304-V417 HydrophobicContact CD1-CG1 4.29Å; Y304-V417 HydrophobicContact CD1-CG2 4.34Å; Y304-V417 HydrophobicContact CE1-CB 4.26Å; Y304-V417 HydrophobicContact CE1-CG1 3.64Å; Y304-V417 HydrophobicContact CE1-CG2 4.41Å
305	T	59	Low	63.3	Low	8 Å²	8	79.6 Å²	79.6	5%	0.049	41%	0.406	C	S	.	.	H	α-helix	trans	-60.8	-26.7	175.8	47.8	0	0	0	0	114.8	G253 P303 Y410 Y442	G253-T305 VanDerWaalsContact O-CG2 3.27Å; G253-T305 WeakPolarHBondContact O-CG2 3.48Å; G253-T305 PolarHBondContact O-OG1 2.86Å; P303-T305 WeakPolarHBondContact CB-OG1 3.41Å; P303-T305 PolarHBondContact O-N 3.11Å; T305-Y410 HydrophobicContact CG2-CD2 4.39Å; T305-Y410 HydrophobicContact CG2-CE2 3.76Å; T305-Y442 WeakPolarHBondContact CB-OH 3.03Å; T305-Y442 HydrophobicContact CG2-CE1 4.32Å; T305-Y442 HydrophobicContact CG2-CE2 3.54Å; T305-Y442 WeakPolarHBondContact CG2-OH 2.94Å
306	F	53	Low	60	Low	55 Å²	55	85.3 Å²	85.3	24%	0.241	44%	0.441	C	S	.	.	H	α-helix	trans	-101.9	-8	178.6	-58.2	-57.1	0	0	0	113.4	V251 P256 P303 Y304 P309	V251-F306 HydrophobicContact CG1-CE2 4.15Å; P256-F306 HydrophobicContact CB-CZ 4.25Å; P256-F306 HydrophobicContact CG-CZ 4.02Å; P303-F306 HydrophobicContact CB-CD2 3.54Å; P303-F306 HydrophobicContact CB-CE2 3.96Å; P303-F306 HydrophobicContact CG-CD2 3.61Å; P303-F306 HydrophobicContact CG-CE2 3.91Å; P303-F306 PolarHBondContact O-N 2.9Å; Y304-F306 VanDerWaalsContact C-N 3.26Å; Y304-F306 PolarHBondContact O-N 3.46Å; F306-P309 WeakPolarHBondContact O-CD 3.43Å
307	V	54.2	Low	56.6	Low	57 Å²	57	90.8 Å²	90.8	35%	0.345	47%	0.471	S	S	.	.	H	α-helix	trans	-95.7	-19.1	-177.5	179.1	0	0	0	0	112	R302 P303 Y304	R302-V307 HydrophobicContact CB-CG2 3.49Å; R302-V307 VanDerWaalsContact CB-CG2 3.49Å; P303-V307 WeakPolarHBondContact O-CG2 3.33Å; P303-V307 PolarHBondContact O-N 3.41Å; Y304-V307 PolarHBondContact O-N 3.04Å
308	L	47.8	Very low	53.5	Low	42 Å²	42	95.8 Å²	95.8	22%	0.22	50%	0.502	C	S	.	.	G	3₁₀ helix	trans	-62.5	-28.6	180	-69	157.1	0	0	0	116.4	Y304 K310 L437 E445	Y304-L308 WeakPolarHBondContact O-CD1 2.95Å; Y304-L308 VanDerWaalsContact O-CG 3.25Å; Y304-L308 WeakPolarHBondContact O-CG 3.47Å; Y304-L308 PolarHBondContact O-N 3.14Å; L308-K310 PolarHBondContact O-N 2.93Å; L308-L437 HydrophobicContact CD1-CD2 3.65Å; L308-E445 HydrophobicContact CB-CG 3.87Å; L308-E445 HydrophobicContact CD1-CB 4.49Å; L308-E445 HydrophobicContact CD1-CG 4.23Å; L308-E445 HydrophobicContact CG-CG 4.41Å
309	P	38.3	Very low	50.4	Low	98 Å²	98	100.7 Å²	100.7	64%	0.636	52%	0.519	S	S	*	.	G	3₁₀ helix	trans	-73	9.4	-172.1	-16	29.5	0	0	0	116.9	F306	F306-P309 WeakPolarHBondContact O-CD 3.43Å
310	K	35.3	Very low	47.3	Very low	198 Å²	198	100.7 Å²	100.7	86%	0.861	53%	0.526	S	S	*	.	G	3₁₀ helix	trans	-130.5	19.3	-177	-68.6	-171.5	179	-177.6	0	114.8	L308	L308-K310 PolarHBondContact O-N 2.93Å
311	M	35.9	Very low	44.5	Very low	103 Å²	103	100.5 Å²	100.5	51%	0.507	55%	0.545	S	S	.	.	S	Bend	trans	-83.5	-11.1	177.2	-68.2	-143.6	77.1	0	0	114.5	I338	M311-I338 HydrophobicContact CE-CB 3.88Å; M311-I338 HydrophobicContact CE-CG2 4.42Å; M311-I338 HydrophobicContact SD-CD1 4.43Å
312	C	35.2	Very low	41.6	Very low	81 Å²	81	106 Å²	106	55%	0.547	57%	0.568	S	S	.	*			trans	-132.4	76.3	-168.7	-68.5	0	0	0	0	113.6	E448	C312-E448 PolarHBondContact SG-OE2 3.26Å
313	Q	27.6	Very low	39	Very low	184 Å²	184	106.2 Å²	106.2	86%	0.86	58%	0.583	S	S	*	*			trans	-134.5	73.7	144.4	-78.8	-172.8	-4.3	0	0	108	T315	Q313-T315 PolarHBondContact O-N 3.26Å
314	S	27.8	Very low	36.4	Very low	106 Å²	106	113.1 Å²	113.1	74%	0.741	63%	0.626	S	S	*	*			trans	-87.5	87.5	151.2	57.9	0	0	0	0	106.7	T316	S314-T316 PolarHBondContact O-N 3.31Å
315	T	26.3	Very low	34.4	Very low	101 Å²	101	118.3 Å²	118.3	62%	0.62	66%	0.658	S	S	*	*			trans	-66.2	98.1	155.4	48.8	0	0	0	0	105.8	Q313 D317	Q313-T315 PolarHBondContact O-N 3.26Å; T315-D317 PolarHBondContact O-N 2.81Å
316	T	27.3	Very low	32.9	Very low	122 Å²	122	121.7 Å²	121.7	75%	0.748	69%	0.694	S	S	*	*			trans	-65.3	83.3	152.4	41.8	0	0	0	0	106.2	S314 V318	S314-T316 PolarHBondContact O-N 3.31Å; T316-V318 VanDerWaalsContact C-N 3.28Å; T316-V318 PolarHBondContact O-N 3.21Å
317	D	26.4	Very low	31.8	Very low	135 Å²	135	125.5 Å²	125.5	72%	0.722	72%	0.722	S	S	*	*			trans	-67.5	94.9	167.5	-78.3	-34.7	0	0	0	107.3	T315 Q319	T315-D317 PolarHBondContact O-N 2.81Å; D317-Q319 PolarHBondContact O-N 2.79Å; D317-Q319 VanDerWaalsContact O-N 3.13Å
318	V	29.7	Very low	30.5	Very low	126 Å²	126	128.4 Å²	128.4	76%	0.764	74%	0.744	S	S	*	*			trans	-60.3	111.3	158.8	179.2	0	0	0	0	105.9	T316 N320	T316-V318 VanDerWaalsContact C-N 3.28Å; T316-V318 PolarHBondContact O-N 3.21Å; V318-N320 PolarHBondContact O-N 3.45Å
319	Q	29.6	Very low	29.6	Very low	183 Å²	183	134.2 Å²	134.2	86%	0.855	78%	0.776	S	S	*	*			trans	-50	114.8	171.9	-75	177.4	-11.1	0	0	109.8	D317	D317-Q319 PolarHBondContact O-N 2.79Å; D317-Q319 VanDerWaalsContact O-N 3.13Å
320	N	25.2	Very low	29.1	Very low	158 Å²	158	132.7 Å²	132.7	85%	0.845	78%	0.778	S	S	*	*			trans	-141.6	116.1	147.3	-100.9	-25	0	0	0	108.1	V318	V318-N320 PolarHBondContact O-N 3.45Å
321	G	30	Very low	28.7	Very low	71 Å²	71	131.2 Å²	131.2	73%	0.732	78%	0.778	S	S	*	*			trans	-64.6	142.5	-168.4	0	0	0	0	0	113.6
322	K	25.5	Very low	28	Very low	210 Å²	210	135 Å²	135	91%	0.913	79%	0.794	S	S	*	*			trans	-167.9	125.1	130.6	-101.1	162.5	-172.5	-178.1	0	108.7
323	T	31.3	Very low	27.7	Very low	132 Å²	132	138.2 Å²	138.2	81%	0.81	81%	0.805	S	S	*	*			trans	-69.2	133.9	178.6	47.5	0	0	0	0	111.9
324	T	26.8	Very low	27.6	Very low	146 Å²	146	135 Å²	135	90%	0.896	80%	0.8	S	S	*	*			trans	-155.5	141.4	136.8	44.5	0	0	0	0	111
325	N	31	Very low	27.5	Very low	168 Å²	168	134.9 Å²	134.9	90%	0.898	80%	0.796	S	S	*	*			trans	-74.4	145.6	-170.1	-67.6	-33.4	0	0	0	114
326	G	27.1	Very low	27.6	Very low	79 Å²	79	134.1 Å²	134.1	81%	0.814	81%	0.809	S	S	*	*			trans	-161.7	108.5	161.9	0	0	0	0	0	110.6
327	V	29.6	Very low	27.7	Very low	136 Å²	136	134.3 Å²	134.3	82%	0.824	80%	0.801	S	S	*	*			trans	-91	129.2	-176	-155.6	0	0	0	0	109.2
328	S	27.7	Very low	28.2	Very low	117 Å²	117	132.3 Å²	132.3	82%	0.818	79%	0.789	S	S	*	*			trans	-150.4	130.8	154.8	47.3	0	0	0	0	110.9	G330	S328-G330 PolarHBondContact O-N 3.47Å
329	N	28.5	Very low	28.1	Very low	164 Å²	164	134.9 Å²	134.9	88%	0.877	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-70	116.9	-170.2	-72.9	-30.6	0	0	0	112.1
330	G	26.7	Very low	28.5	Very low	66 Å²	66	130.6 Å²	130.6	68%	0.68	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-91.7	128.5	172	0	0	0	0	0	112.7	S328	S328-G330 PolarHBondContact O-N 3.47Å
331	I	26.7	Very low	28.5	Very low	167 Å²	167	128 Å²	128	86%	0.856	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-74.5	117.7	164	-67.1	166.8	0	0	0	107.6
332	H	22.9	Very low	28.6	Very low	183 Å²	183	134 Å²	134	85%	0.847	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-72.1	122	178.5	-94.1	-87.5	0	0	0	111.8
333	L	28.3	Very low	28.7	Very low	149 Å²	149	127.2 Å²	127.2	78%	0.78	74%	0.742	S	S	*	*			trans	-115.1	142.5	157.1	-82.1	155.4	0	0	0	108.1
334	P	24.6	Very low	28.9	Very low	116 Å²	116	131.1 Å²	131.1	75%	0.753	75%	0.748	S	S	*	*			trans	-71.7	136.3	-171	27.7	-32.4	0	0	0	111.7	G336	P334-G336 PolarHBondContact O-N 2.78Å
335	P	26.9	Very low	29.3	Very low	103 Å²	103	129.2 Å²	129.2	67%	0.669	74%	0.736	S	S	*	*			trans	-78.8	119.7	179.8	22.9	-18.6	0	0	0	111.6	H337	P335-H337 PolarHBondContact O-N 2.75Å; P335-H337 VanDerWaalsContact O-N 3.08Å
336	G	27	Very low	29.4	Very low	85 Å²	85	130 Å²	130	88%	0.876	73%	0.734	S	S	*	*			trans	-75.3	84.9	166.7	0	0	0	0	0	110.8	P334	P334-G336 PolarHBondContact O-N 2.78Å
337	H	29.6	Very low	29.8	Very low	126 Å²	126	131.2 Å²	131.2	58%	0.583	73%	0.73	S	S	*	*			trans	-72	130.4	168.1	-78.5	-71.8	0	0	0	110.7	P335 R339	P335-H337 PolarHBondContact O-N 2.75Å; P335-H337 VanDerWaalsContact O-N 3.08Å; H337-R339 HydrophobicContact CB-CB 4.43Å; H337-R339 HydrophobicContact CB-CG 4.04Å; H337-R339 PolarHBondContact O-N 2.84Å; H337-R339 VanDerWaalsContact O-N 3.17Å
338	I	36.8	Very low	30.1	Very low	93 Å²	93	129.1 Å²	129.1	48%	0.477	72%	0.721	S	S	.	*			trans	-82.1	77.8	147	-56	174.1	0	0	0	106	M311 F340	M311-I338 HydrophobicContact CE-CB 3.88Å; M311-I338 HydrophobicContact CE-CG2 4.42Å; M311-I338 HydrophobicContact SD-CD1 4.43Å; I338-F340 HydrophobicContact CG2-CD2 4.44Å; I338-F340 HydrophobicContact CG2-CE2 4.11Å; I338-F340 HydrophobicContact CG2-CZ 4.18Å; I338-F340 PolarHBondContact O-N 3.34Å
339	R	28.7	Very low	30.9	Very low	181 Å²	181	132.9 Å²	132.9	68%	0.683	72%	0.724	S	S	*	*			trans	-76.6	111.7	155.9	-84.8	179.2	-174	-170.5	1	105.3	H337 T341	H337-R339 HydrophobicContact CB-CB 4.43Å; H337-R339 HydrophobicContact CB-CG 4.04Å; H337-R339 PolarHBondContact O-N 2.84Å; H337-R339 VanDerWaalsContact O-N 3.17Å; R339-T341 HydrophobicContact CB-CG2 4.41Å; R339-T341 PolarHBondContact O-N 3.17Å
340	F	38.6	Very low	32.2	Very low	93 Å²	93	130.5 Å²	130.5	41%	0.408	72%	0.715	S	S	.	*			trans	-62.7	97.8	147.9	-63.6	-75	0	0	0	104.2	I338 E342 L420 P424	I338-F340 HydrophobicContact CG2-CD2 4.44Å; I338-F340 HydrophobicContact CG2-CE2 4.11Å; I338-F340 HydrophobicContact CG2-CZ 4.18Å; I338-F340 PolarHBondContact O-N 3.34Å; F340-E342 PolarHBondContact O-N 3.43Å; F340-E342 VanDerWaalsContact O-N 3.08Å; F340-L420 HydrophobicContact CE1-CB 4.42Å; F340-P424 HydrophobicContact CD1-CB 4.4Å; F340-P424 HydrophobicContact CD1-CG 4.09Å
341	T	24.1	Very low	34	Very low	104 Å²	104	136.5 Å²	136.5	64%	0.638	73%	0.725	S	S	*	*			trans	-58.2	121.2	173	47.8	0	0	0	0	105.6	R339 S343	R339-T341 HydrophobicContact CB-CG2 4.41Å; R339-T341 PolarHBondContact O-N 3.17Å; T341-S343 PolarHBondContact O-N 3.03Å
342	E	31.5	Very low	36.5	Very low	196 Å²	196	130.2 Å²	130.2	92%	0.916	69%	0.693	S	S	*	*			trans	-65.2	69.2	159.8	-73.5	-175.7	162.2	0	0	107	F340 K344	F340-E342 PolarHBondContact O-N 3.43Å; F340-E342 VanDerWaalsContact O-N 3.08Å; E342-K344 PolarHBondContact O-N 2.82Å
343	S	27.5	Very low	39.5	Very low	67 Å²	67	124 Å²	124	47%	0.469	67%	0.67	S	S	.	*			trans	-69.1	113.5	160	81.8	0	0	0	0	104.4	T341 T345	T341-S343 PolarHBondContact O-N 3.03Å; S343-T345 PolarHBondContact O-N 2.8Å; S343-T345 PolarHBondContact OG-OG1 3.48Å
344	K	37.4	Very low	42.4	Very low	215 Å²	215	122.6 Å²	122.6	94%	0.935	67%	0.67	S	S	*	*			trans	-57.1	91.4	155.7	-78.9	-179.5	174.5	177.4	0	106.3	E342	E342-K344 PolarHBondContact O-N 2.82Å
345	T	33.4	Very low	45.5	Very low	106 Å²	106	122.2 Å²	122.2	65%	0.65	66%	0.658	S	S	*	*			trans	-129	125.5	169.8	41.5	0	0	0	0	109	S343 S347	S343-T345 PolarHBondContact O-N 2.8Å; S343-T345 PolarHBondContact OG-OG1 3.48Å; T345-S347 PolarHBondContact O-N 2.81Å
346	Q	33.8	Very low	48.5	Very low	183 Å²	183	118.3 Å²	118.3	86%	0.855	63%	0.631	S	S	*	*			trans	-41.9	133.1	176.8	-74.9	149	-40.6	0	0	110.9	S348	Q346-S348 PolarHBondContact O-N 3.03Å
347	S	34.7	Very low	51.6	Low	106 Å²	106	118 Å²	118	74%	0.741	61%	0.607	S	S	*	*			trans	-60.7	76.7	161.9	58.3	0	0	0	0	109.2	T345 F349	T345-S347 PolarHBondContact O-N 2.81Å; S347-F349 PolarHBondContact O-N 2.78Å
348	S	37.2	Very low	54.7	Low	91 Å²	91	118 Å²	118	64%	0.636	61%	0.605	S	S	*	*			trans	-73.3	92.2	161.6	59	0	0	0	0	105.4	Q346 T350	Q346-S348 PolarHBondContact O-N 3.03Å; S348-T350 PolarHBondContact O-N 2.88Å; S348-T350 PolarHBondContact O-OG1 3.41Å
349	F	44.5	Very low	57.5	Low	197 Å²	197	113.9 Å²	113.9	86%	0.864	59%	0.585	S	S	*	*			trans	-54.1	91.9	153.8	-89.1	-94.5	0	0	0	105.5	S347 E351	S347-F349 PolarHBondContact O-N 2.78Å; F349-E351 VanDerWaalsContact C-N 3.27Å; F349-E351 PolarHBondContact O-N 2.99Å
350	T	55	Low	60.7	Low	114 Å²	114	106.9 Å²	106.9	70%	0.699	56%	0.559	S	S	*	*			trans	-71.6	97.8	171.3	0.2	0	0	0	0	104.3	S348 L352	S348-T350 PolarHBondContact O-N 2.88Å; S348-T350 PolarHBondContact O-OG1 3.41Å; T350-L352 PolarHBondContact O-N 3.23Å; T350-L352 VanDerWaalsContact O-N 3.13Å
351	E	65.3	Low	63.4	Low	192 Å²	192	108 Å²	108	90%	0.897	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-47.2	122.6	172.6	-108.7	177.6	160.7	0	0	108	F349	F349-E351 VanDerWaalsContact C-N 3.27Å; F349-E351 PolarHBondContact O-N 2.99Å
352	L	77.8	Confident	66.9	Low	35 Å²	35	107.2 Å²	107.2	18%	0.183	55%	0.554	C	S	.	*	P	Polyproline II helix	trans	-62.1	141.7	175.6	-76.5	166.3	0	0	0	107.8	T350 L356 E357 K360 N389	T350-L352 PolarHBondContact O-N 3.23Å; T350-L352 VanDerWaalsContact O-N 3.13Å; L352-L356 HydrophobicContact CB-CB 4.17Å; L352-L356 HydrophobicContact CD2-CB 3.99Å; L352-L356 HydrophobicContact CD2-CD1 4.01Å; L352-E357 HydrophobicContact CB-CB 4.46Å; L352-E357 WeakPolarHBondContact CD1-OE2 3.28Å; L352-K360 HydrophobicContact CD1-CD 3.88Å; L352-N389 WeakPolarHBondContact CD2-ND2 3.36Å
353	S	86.2	Confident	70.1	Confident	52 Å²	52	97.9 Å²	97.9	36%	0.364	51%	0.511	S	S	.	.	P	Polyproline II helix	trans	-56.2	151.2	172.2	74.1	0	0	0	0	109.7	H355 L356 E357	S353-H355 PolarHBondContact O-N 2.98Å; S353-L356 PolarHBondContact O-N 3.38Å; S353-L356 WeakPolarHBondContact OG-CG 3.42Å; S353-L356 PolarHBondContact OG-N 3Å; S353-E357 PolarHBondContact O-N 3.37Å
354	P	89	Confident	73.4	Confident	120 Å²	120	97.5 Å²	97.5	78%	0.779	50%	0.504	S	S	*	.	H	α-helix	trans	-54.2	-31.5	179.5	-27.8	34.7	0	0	0	113.3	K358	P354-K358 PolarHBondContact O-N 3.28Å
355	H	90.1	Very high	76.3	Confident	108 Å²	108	91 Å²	91	50%	0.5	48%	0.479	S	S	.	.	H	α-helix	trans	-66.6	-49.6	174.7	-175.1	66.7	0	0	0	112.5	S353 E357 K358 I359 E385	S353-H355 PolarHBondContact O-N 2.98Å; H355-E357 VanDerWaalsContact C-N 3.32Å; H355-E357 PolarHBondContact O-N 3.05Å; H355-K358 WeakPolarHBondContact O-CB 3.17Å; H355-K358 PolarHBondContact O-N 3.05Å; H355-I359 PolarHBondContact O-N 3.12Å; H355-E385 IonicContact CD2-OE2 2.67Å; H355-E385 PolarHBondContact CD2-OE2 3.49Å; H355-E385 IonicContact NE2-OE1 2.62Å
356	L	90.5	Very high	79.4	Confident	20 Å²	20	86.1 Å²	86.1	11%	0.105	45%	0.45	C	S	.	.	H	α-helix	trans	-65.3	-36.2	178.6	-76.3	171.1	0	0	0	112.5	L352 S353 K358 I359 K360 E385 A386	L352-L356 HydrophobicContact CB-CB 4.17Å; L352-L356 HydrophobicContact CD2-CB 3.99Å; L352-L356 HydrophobicContact CD2-CD1 4.01Å; S353-L356 PolarHBondContact O-N 3.38Å; S353-L356 WeakPolarHBondContact OG-CG 3.42Å; S353-L356 PolarHBondContact OG-N 3Å; L356-K358 VanDerWaalsContact C-N 3.29Å; L356-K358 PolarHBondContact O-N 2.86Å; L356-I359 PolarHBondContact O-N 3.23Å; L356-K360 WeakPolarHBondContact O-CB 3.42Å; L356-K360 PolarHBondContact O-N 3.06Å; L356-E385 HydrophobicContact CD2-CB 3.68Å; L356-E385 HydrophobicContact CD2-CG 4.49Å; L356-E385 VanDerWaalsContact CD2-OE2 3.24Å; L356-E385 WeakPolarHBondContact CD2-OE2 3.48Å; L356-A386 HydrophobicContact CD1-CB 3.79Å; L356-A386 HydrophobicContact CD2-CB 4.42Å
357	E	92.8	Very high	82.4	Confident	78 Å²	78	80.2 Å²	80.2	36%	0.364	42%	0.421	S	S	.	.	H	α-helix	trans	-62.4	-39.8	175.2	-169.5	59.1	-150.5	0	0	111	L352 S353 H355 K360 Q361	L352-E357 HydrophobicContact CB-CB 4.46Å; L352-E357 WeakPolarHBondContact CD1-OE2 3.28Å; S353-E357 PolarHBondContact O-N 3.37Å; H355-E357 VanDerWaalsContact C-N 3.32Å; H355-E357 PolarHBondContact O-N 3.05Å; E357-K360 PolarHBondContact O-N 2.87Å; E357-K360 WeakPolarHBondContact OE1-CE 3.29Å; E357-K360 IonicContact OE1-NZ 3.25Å; E357-K360 PolarHBondContact OE1-NZ 2.82Å; E357-K360 WeakPolarHBondContact OE2-CE 3.48Å; E357-K360 IonicContact OE2-NZ 2.78Å; E357-K360 PolarHBondContact OE2-NZ 2.82Å; E357-Q361 WeakPolarHBondContact O-CB 3.42Å; E357-Q361 PolarHBondContact O-N 3.34Å
358	K	94.7	Very high	85.5	Confident	126 Å²	126	78.8 Å²	78.8	55%	0.548	42%	0.416	S	S	.	.	H	α-helix	trans	-63.4	-45.6	173.6	-174	179.8	179.3	179.7	0	112.2	P354 H355 L356 K360 Q361 Q362	P354-K358 PolarHBondContact O-N 3.28Å; H355-K358 WeakPolarHBondContact O-CB 3.17Å; H355-K358 PolarHBondContact O-N 3.05Å; L356-K358 VanDerWaalsContact C-N 3.29Å; L356-K358 PolarHBondContact O-N 2.86Å; K358-K360 VanDerWaalsContact C-N 3.33Å; K358-K360 PolarHBondContact O-N 2.9Å; K358-Q361 PolarHBondContact O-N 2.63Å; K358-Q362 WeakPolarHBondContact O-CG 2.93Å; K358-Q362 PolarHBondContact O-N 2.84Å
359	I	94.7	Very high	88.3	Confident	8 Å²	8	83 Å²	83	4%	0.041	42%	0.418	C	S	.	.	H	α-helix	trans	-59.5	-46.5	175.9	-68.3	171.5	0	0	0	110.1	H355 L356 Q361 Q362 A363 L378 L381	H355-I359 PolarHBondContact O-N 3.12Å; L356-I359 PolarHBondContact O-N 3.23Å; I359-Q361 VanDerWaalsContact C-N 3.35Å; I359-Q361 PolarHBondContact O-N 3.18Å; I359-Q362 PolarHBondContact O-N 3.48Å; I359-A363 WeakPolarHBondContact O-CB 3.33Å; I359-A363 PolarHBondContact O-N 2.96Å; I359-L378 VanDerWaalsContact CG2-O 3.28Å; I359-L378 WeakPolarHBondContact CG2-O 3.47Å; I359-L381 HydrophobicContact CD1-CD2 3.94Å; I359-L381 HydrophobicContact CD1-CG 4.2Å
360	K	95.5	Very high	90.8	Very high	34 Å²	34	80.3 Å²	80.3	15%	0.148	41%	0.408	C	S	.	.	H	α-helix	trans	-59.9	-44	177.3	-172.4	-169.1	76.7	-168.2	0	111.7	L352 L356 E357 K358 A363 N364 L392	L352-K360 HydrophobicContact CD1-CD 3.88Å; L356-K360 WeakPolarHBondContact O-CB 3.42Å; L356-K360 PolarHBondContact O-N 3.06Å; E357-K360 PolarHBondContact O-N 2.87Å; E357-K360 WeakPolarHBondContact OE1-CE 3.29Å; E357-K360 IonicContact OE1-NZ 3.25Å; E357-K360 PolarHBondContact OE1-NZ 2.82Å; E357-K360 WeakPolarHBondContact OE2-CE 3.48Å; E357-K360 IonicContact OE2-NZ 2.78Å; E357-K360 PolarHBondContact OE2-NZ 2.82Å; K358-K360 VanDerWaalsContact C-N 3.33Å; K358-K360 PolarHBondContact O-N 2.9Å; K360-A363 PolarHBondContact O-N 2.96Å; K360-N364 WeakPolarHBondContact O-CB 3.32Å; K360-N364 VanDerWaalsContact O-CG 3.27Å; K360-N364 PolarHBondContact O-N 2.9Å; K360-N364 PolarHBondContact O-ND2 3.37Å; K360-L392 HydrophobicContact CB-CD2 4.32Å; K360-L392 HydrophobicContact CD-CD2 4.4Å; K360-L392 HydrophobicContact CG-CD2 4.05Å
361	Q	96.6	Very high	92.8	Very high	116 Å²	116	78 Å²	78	54%	0.542	39%	0.39	S	S	.	.	H	α-helix	trans	-63.8	-42	178	-169.8	-178.9	17.4	0	0	111.7	E357 K358 I359 N364 N365	E357-Q361 WeakPolarHBondContact O-CB 3.42Å; E357-Q361 PolarHBondContact O-N 3.34Å; K358-Q361 PolarHBondContact O-N 2.63Å; I359-Q361 VanDerWaalsContact C-N 3.35Å; I359-Q361 PolarHBondContact O-N 3.18Å; Q361-N364 PolarHBondContact O-N 3.11Å; Q361-N365 WeakPolarHBondContact O-CB 3.47Å; Q361-N365 PolarHBondContact O-N 2.81Å; Q361-N365 PolarHBondContact O-ND2 2.89Å
362	Q	97.6	Very high	94.3	Very high	87 Å²	87	71.5 Å²	71.5	41%	0.407	36%	0.357	S	S	.	.	H	α-helix	trans	-61.1	-43.7	173.7	-71.3	174.4	-23.2	0	0	111.6	K358 I359 N365 A366 L378	K358-Q362 WeakPolarHBondContact O-CG 2.93Å; K358-Q362 PolarHBondContact O-N 2.84Å; I359-Q362 PolarHBondContact O-N 3.48Å; Q362-N365 PolarHBondContact O-N 3.34Å; Q362-A366 PolarHBondContact O-N 2.81Å; Q362-L378 HydrophobicContact CB-CD1 3.98Å
363	A	97.4	Very high	95.2	Very high	0 Å²	0	70.7 Å²	70.7	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-63.1	-42.8	177.2	0	0	0	0	0	112.1	I359 K360 N365 A366 F367 L378 Y379	I359-A363 WeakPolarHBondContact O-CB 3.33Å; I359-A363 PolarHBondContact O-N 2.96Å; K360-A363 PolarHBondContact O-N 2.96Å; A363-N365 VanDerWaalsContact C-N 3.35Å; A363-A366 PolarHBondContact O-N 2.95Å; A363-F367 WeakPolarHBondContact O-CB 3.47Å; A363-F367 PolarHBondContact O-N 3.34Å; A363-L378 HydrophobicContact CB-CB 3.62Å; A363-L378 HydrophobicContact CB-CD1 4.34Å; A363-Y379 HydrophobicContact CB-CD1 3.66Å; A363-Y379 HydrophobicContact CB-CD2 4.19Å; A363-Y379 HydrophobicContact CB-CE1 3.4Å; A363-Y379 HydrophobicContact CB-CE2 3.96Å; A363-Y379 HydrophobicContact CB-CG 4.03Å
364	N	97.8	Very high	95.7	Very high	59 Å²	59	72 Å²	72	32%	0.316	35%	0.353	S	S	.	.	H	α-helix	trans	-62.4	-41.3	174.8	-72.8	-22.7	0	0	0	111.7	K360 Q361 F367 A368 Y379	K360-N364 WeakPolarHBondContact O-CB 3.32Å; K360-N364 VanDerWaalsContact O-CG 3.27Å; K360-N364 PolarHBondContact O-N 2.9Å; K360-N364 PolarHBondContact O-ND2 3.37Å; Q361-N364 PolarHBondContact O-N 3.11Å; N364-F367 WeakPolarHBondContact O-CB 3.31Å; N364-F367 PolarHBondContact O-N 3.33Å; N364-A368 WeakPolarHBondContact O-CB 3.4Å; N364-A368 PolarHBondContact O-N 3.3Å; N364-Y379 PolarHBondContact OD1-OH 2.74Å
365	N	98.2	Very high	96.1	Very high	78 Å²	78	66.3 Å²	66.3	42%	0.417	32%	0.316	S	S	.	.	H	α-helix	trans	-65.4	-43.2	177.2	-71.8	-19.4	0	0	0	111.7	Q361 Q362 A363 F367 A368 R369	Q361-N365 WeakPolarHBondContact O-CB 3.47Å; Q361-N365 PolarHBondContact O-N 2.81Å; Q361-N365 PolarHBondContact O-ND2 2.89Å; Q362-N365 PolarHBondContact O-N 3.34Å; A363-N365 VanDerWaalsContact C-N 3.35Å; N365-F367 VanDerWaalsContact C-N 3.33Å; N365-A368 PolarHBondContact O-N 3.01Å; N365-R369 WeakPolarHBondContact O-CG 3.25Å; N365-R369 PolarHBondContact O-N 3.49Å
366	A	97.7	Very high	96.5	Very high	4 Å²	4	61.5 Å²	61.5	3%	0.033	29%	0.294	C	S	.	.	H	α-helix	trans	-60.7	-44	173.7	0	0	0	0	0	111.1	Q362 A363 A368 R369 Q370 Q371 Q374 A375 L378	Q362-A366 PolarHBondContact O-N 2.81Å; A363-A366 PolarHBondContact O-N 2.95Å; A366-A368 PolarHBondContact O-N 2.9Å; A366-R369 CarbonylContact O-C 3.58Å; A366-R369 PolarHBondContact O-N 2.83Å; A366-Q370 PolarHBondContact O-N 3.01Å; A366-Q371 HydrophobicContact CB-CB 4.22Å; A366-Q371 WeakPolarHBondContact O-CB 3.25Å; A366-Q371 PolarHBondContact O-N 2.96Å; A366-Q374 HydrophobicContact CB-CB 4.32Å; A366-Q374 HydrophobicContact CB-CG 4.26Å; A366-A375 HydrophobicContact CB-CB 4.04Å; A366-L378 HydrophobicContact CB-CD1 4.43Å
367	F	98	Very high	96.8	Very high	59 Å²	59	63.4 Å²	63.4	26%	0.259	30%	0.303	S	S	.	.	H	α-helix	trans	-60.2	-44	175.1	-174.6	-83.3	0	0	0	112	A363 N364 N365 R369 Q370 W372 A375 A398 A399 K402	A363-F367 WeakPolarHBondContact O-CB 3.47Å; A363-F367 PolarHBondContact O-N 3.34Å; N364-F367 WeakPolarHBondContact O-CB 3.31Å; N364-F367 PolarHBondContact O-N 3.33Å; N365-F367 VanDerWaalsContact C-N 3.33Å; F367-R369 VanDerWaalsContact C-N 3.26Å; F367-R369 PolarHBondContact O-N 2.89Å; F367-Q370 PolarHBondContact O-N 3.42Å; F367-W372 HydrophobicContact CD1-CZ3 4.12Å; F367-W372 AromaticContact CD2-CE3 3.88Å; F367-W372 HydrophobicContact CD2-CE3 3.88Å; F367-W372 AromaticContact CD2-CZ3 3.73Å; F367-W372 HydrophobicContact CD2-CZ3 3.73Å; F367-W372 HydrophobicContact CE1-CZ3 4.11Å; F367-W372 HydrophobicContact CE2-CE3 4.04Å; F367-W372 AromaticContact CE2-CZ3 3.74Å; F367-W372 HydrophobicContact CE2-CZ3 3.74Å; F367-W372 HydrophobicContact CG-CE3 4.37Å; F367-W372 AromaticContact CG-CZ3 3.93Å; F367-W372 HydrophobicContact CG-CZ3 3.93Å; F367-W372 AromaticContact CZ-CZ3 3.93Å; F367-W372 HydrophobicContact CZ-CZ3 3.93Å; F367-W372 WeakPolarHBondContact O-CZ3 3.12Å; F367-A375 HydrophobicContact CB-CB 4.05Å; F367-A398 HydrophobicContact CE2-CB 4.15Å; F367-A398 HydrophobicContact CZ-CB 4.33Å; F367-A399 HydrophobicContact CD2-CB 3.97Å; F367-A399 HydrophobicContact CE2-CB 4.16Å; F367-K402 HydrophobicContact CE2-CG 4.24Å; F367-K402 HydrophobicContact CZ-CG 4.15Å
368	A	97.9	Very high	97	Very high	77 Å²	77	61.1 Å²	61.1	64%	0.636	29%	0.293	S	S	*	.	H	α-helix	trans	-63.7	-32.3	177.5	0	0	0	0	0	112.6	N364 N365 A366 Q370	N364-A368 WeakPolarHBondContact O-CB 3.4Å; N364-A368 PolarHBondContact O-N 3.3Å; N365-A368 PolarHBondContact O-N 3.01Å; A366-A368 PolarHBondContact O-N 2.9Å; A368-Q370 PolarHBondContact O-N 2.91Å
369	R	97.7	Very high	97.2	Very high	180 Å²	180	55.4 Å²	55.4	68%	0.679	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	6	174.5	-67.9	174.3	-176.5	176.3	-1	114	N365 A366 F367 Q371	N365-R369 WeakPolarHBondContact O-CG 3.25Å; N365-R369 PolarHBondContact O-N 3.49Å; A366-R369 CarbonylContact O-C 3.58Å; A366-R369 PolarHBondContact O-N 2.83Å; F367-R369 VanDerWaalsContact C-N 3.26Å; F367-R369 PolarHBondContact O-N 2.89Å; R369-Q371 HydrophobicContact CB-CG 4.09Å; R369-Q371 PolarHBondContact O-N 2.86Å
370	Q	96.9	Very high	97.3	Very high	139 Å²	139	55.1 Å²	55.1	65%	0.65	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.1	20.2	-177.1	-48.3	-175.2	19.5	0	0	114.5	A366 F367 A368 W372	A366-Q370 PolarHBondContact O-N 3.01Å; F367-Q370 PolarHBondContact O-N 3.42Å; A368-Q370 PolarHBondContact O-N 2.91Å; Q370-W372 VanDerWaalsContact C-N 3.28Å; Q370-W372 VanDerWaalsContact CA-CZ2 3.5Å; Q370-W372 HydrophobicContact CB-CH2 3.83Å; Q370-W372 HydrophobicContact CB-CZ2 3.37Å; Q370-W372 HydrophobicContact CG-CH2 3.77Å; Q370-W372 HydrophobicContact CG-CZ2 3.6Å; Q370-W372 PolarHBondContact O-N 3.5Å; Q370-W372 VanDerWaalsContact O-N 3.07Å; Q370-W372 PolarHBondContact O-NE1 3.14Å
371	Q	96.4	Very high	97.3	Very high	67 Å²	67	56.1 Å²	56.1	31%	0.313	27%	0.273	S	S	.	.			trans	-85.9	70.9	175.3	-62.8	174.6	-54.1	0	0	109	A366 R369 T373 Q374 A375	A366-Q371 HydrophobicContact CB-CB 4.22Å; A366-Q371 WeakPolarHBondContact O-CB 3.25Å; A366-Q371 PolarHBondContact O-N 2.96Å; R369-Q371 HydrophobicContact CB-CG 4.09Å; R369-Q371 PolarHBondContact O-N 2.86Å; Q371-T373 PolarHBondContact O-N 3.21Å; Q371-Q374 HydrophobicContact CB-CB 4.17Å; Q371-Q374 PolarHBondContact O-N 3.14Å; Q371-A375 WeakPolarHBondContact O-CB 3.29Å; Q371-A375 PolarHBondContact O-N 2.99Å
372	W	97.4	Very high	97.3	Very high	55 Å²	55	50.7 Å²	50.7	21%	0.208	25%	0.248	C	C	.	.	H	α-helix	trans	-63	-42.3	-168.6	-44.6	120.7	0	0	0	113	F367 Q370 A375 I376 K402 R403	F367-W372 HydrophobicContact CD1-CZ3 4.12Å; F367-W372 AromaticContact CD2-CE3 3.88Å; F367-W372 HydrophobicContact CD2-CE3 3.88Å; F367-W372 AromaticContact CD2-CZ3 3.73Å; F367-W372 HydrophobicContact CD2-CZ3 3.73Å; F367-W372 HydrophobicContact CE1-CZ3 4.11Å; F367-W372 HydrophobicContact CE2-CE3 4.04Å; F367-W372 AromaticContact CE2-CZ3 3.74Å; F367-W372 HydrophobicContact CE2-CZ3 3.74Å; F367-W372 HydrophobicContact CG-CE3 4.37Å; F367-W372 AromaticContact CG-CZ3 3.93Å; F367-W372 HydrophobicContact CG-CZ3 3.93Å; F367-W372 AromaticContact CZ-CZ3 3.93Å; F367-W372 HydrophobicContact CZ-CZ3 3.93Å; F367-W372 WeakPolarHBondContact O-CZ3 3.12Å; Q370-W372 VanDerWaalsContact C-N 3.28Å; Q370-W372 VanDerWaalsContact CA-CZ2 3.5Å; Q370-W372 HydrophobicContact CB-CH2 3.83Å; Q370-W372 HydrophobicContact CB-CZ2 3.37Å; Q370-W372 HydrophobicContact CG-CH2 3.77Å; Q370-W372 HydrophobicContact CG-CZ2 3.6Å; Q370-W372 PolarHBondContact O-N 3.5Å; Q370-W372 VanDerWaalsContact O-N 3.07Å; Q370-W372 PolarHBondContact O-NE1 3.14Å; W372-A375 PolarHBondContact O-N 3.37Å; W372-I376 WeakPolarHBondContact O-CD1 3Å; W372-I376 VanDerWaalsContact O-CG1 3.27Å; W372-I376 WeakPolarHBondContact O-CG1 3.26Å; W372-I376 PolarHBondContact O-N 3.02Å; W372-K402 HydrophobicContact CD2-CB 3.79Å; W372-K402 HydrophobicContact CE3-CB 3.84Å; W372-K402 HydrophobicContact CE3-CG 4.43Å; W372-K402 HydrophobicContact CG-CB 4.35Å; W372-K402 HydrophobicContact CH2-CB 4.24Å; W372-K402 HydrophobicContact CH2-CG 4.28Å; W372-K402 HydrophobicContact CZ2-CB 4.19Å; W372-K402 HydrophobicContact CZ3-CB 4.07Å; W372-K402 HydrophobicContact CZ3-CG 4.19Å; W372-R403 HydrophobicContact CB-CB 3.83Å; W372-R403 HydrophobicContact CB-CG 4.31Å; W372-R403 HydrophobicContact CG-CB 4.42Å
373	T	96.1	Very high	97.2	Very high	17 Å²	17	47 Å²	47	10%	0.104	23%	0.231	C	C	.	.	H	α-helix	trans	-62.5	-48.2	179.8	-47.9	0	0	0	0	110.7	Q371 A375 I376 Q377 E616	Q371-T373 PolarHBondContact O-N 3.21Å; T373-A375 VanDerWaalsContact C-N 3.35Å; T373-A375 PolarHBondContact O-N 3.2Å; T373-I376 PolarHBondContact O-N 3.28Å; T373-Q377 WeakPolarHBondContact O-CG 3.18Å; T373-Q377 PolarHBondContact O-N 2.74Å; T373-E616 WeakPolarHBondContact CB-OE1 3.46Å; T373-E616 PolarHBondContact OG1-OE1 3.35Å
374	Q	96.4	Very high	97	Very high	80 Å²	80	50.3 Å²	50.3	37%	0.374	25%	0.246	S	C	.	.	H	α-helix	trans	-62.1	-41.6	176.8	-170.7	178.4	28.5	0	0	112	A366 Q371 I376 Q377 L378	A366-Q374 HydrophobicContact CB-CB 4.32Å; A366-Q374 HydrophobicContact CB-CG 4.26Å; Q371-Q374 HydrophobicContact CB-CB 4.17Å; Q371-Q374 PolarHBondContact O-N 3.14Å; Q374-I376 PolarHBondContact O-N 2.95Å; Q374-Q377 PolarHBondContact O-N 3.4Å; Q374-L378 HydrophobicContact CG-CD1 4.16Å; Q374-L378 WeakPolarHBondContact O-CG 3.46Å; Q374-L378 PolarHBondContact O-N 2.75Å
375	A	98	Very high	96.7	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-60.3	-45.4	175.6	0	0	0	0	0	111.5	A366 F367 Q371 W372 T373 Q377 L378 Y379 A399	A366-A375 HydrophobicContact CB-CB 4.04Å; F367-A375 HydrophobicContact CB-CB 4.05Å; Q371-A375 WeakPolarHBondContact O-CB 3.29Å; Q371-A375 PolarHBondContact O-N 2.99Å; W372-A375 PolarHBondContact O-N 3.37Å; T373-A375 VanDerWaalsContact C-N 3.35Å; T373-A375 PolarHBondContact O-N 3.2Å; A375-Q377 PolarHBondContact O-N 3.11Å; A375-L378 PolarHBondContact O-N 3.06Å; A375-Y379 HydrophobicContact CB-CE2 4.19Å; A375-Y379 WeakPolarHBondContact O-CD2 3.41Å; A375-Y379 PolarHBondContact O-N 3.46Å; A375-A399 HydrophobicContact CB-CB 4.46Å
376	I	98.1	Very high	96.4	Very high	7 Å²	7	49.1 Å²	49.1	4%	0.036	24%	0.24	C	C	.	.	H	α-helix	trans	-59	-46.9	176.2	-69.8	160.3	0	0	0	110.6	W372 T373 Q374 L378 Y379 S380 R396 A399 Y400 R403	W372-I376 WeakPolarHBondContact O-CD1 3Å; W372-I376 VanDerWaalsContact O-CG1 3.27Å; W372-I376 WeakPolarHBondContact O-CG1 3.26Å; W372-I376 PolarHBondContact O-N 3.02Å; T373-I376 PolarHBondContact O-N 3.28Å; Q374-I376 PolarHBondContact O-N 2.95Å; I376-L378 VanDerWaalsContact C-N 3.34Å; I376-L378 PolarHBondContact O-N 2.84Å; I376-Y379 PolarHBondContact O-N 2.87Å; I376-S380 WeakPolarHBondContact O-CB 3.39Å; I376-S380 PolarHBondContact O-N 3.24Å; I376-S380 PolarHBondContact O-OG 3.08Å; I376-R396 HydrophobicContact CG2-CG 4.36Å; I376-A399 HydrophobicContact CD1-CB 4.3Å; I376-A399 HydrophobicContact CG1-CB 3.58Å; I376-Y400 HydrophobicContact CD1-CD1 3.57Å; I376-Y400 HydrophobicContact CD1-CE1 3.75Å; I376-Y400 HydrophobicContact CD1-CG 4.3Å; I376-Y400 HydrophobicContact CG1-CD1 4.17Å; I376-Y400 HydrophobicContact CG1-CE1 4.14Å; I376-Y400 HydrophobicContact CG2-CE1 3.69Å; I376-R403 HydrophobicContact CD1-CB 4.2Å
377	Q	97.1	Very high	96.1	Very high	60 Å²	60	55.9 Å²	55.9	28%	0.28	27%	0.265	S	S	.	.	H	α-helix	trans	-60.7	-42.7	-179.3	-71.6	175.6	-5.4	0	0	112.6	T373 Q374 A375 S380 L381 N562	T373-Q377 WeakPolarHBondContact O-CG 3.18Å; T373-Q377 PolarHBondContact O-N 2.74Å; Q374-Q377 PolarHBondContact O-N 3.4Å; A375-Q377 PolarHBondContact O-N 3.11Å; Q377-S380 PolarHBondContact O-N 2.92Å; Q377-L381 PolarHBondContact O-N 3.22Å; Q377-N562 WeakPolarHBondContact CA-OD1 3.14Å; Q377-N562 WeakPolarHBondContact CB-OD1 3.45Å; Q377-N562 HydrophobicContact CG-CB 4.43Å; Q377-N562 PolarHBondContact O-ND2 2.8Å; Q377-N562 VanDerWaalsContact O-ND2 3.09Å; Q377-N562 PolarHBondContact O-OD1 3.4Å
378	L	97.8	Very high	95.8	Very high	31 Å²	31	56 Å²	56	16%	0.162	28%	0.282	C	S	.	.	H	α-helix	trans	-68.4	-40	177.4	-69.3	167.4	0	0	0	112	I359 Q362 A363 A366 Q374 A375 I376 L381 G382	I359-L378 VanDerWaalsContact CG2-O 3.28Å; I359-L378 WeakPolarHBondContact CG2-O 3.47Å; Q362-L378 HydrophobicContact CB-CD1 3.98Å; A363-L378 HydrophobicContact CB-CB 3.62Å; A363-L378 HydrophobicContact CB-CD1 4.34Å; A366-L378 HydrophobicContact CB-CD1 4.43Å; Q374-L378 HydrophobicContact CG-CD1 4.16Å; Q374-L378 WeakPolarHBondContact O-CG 3.46Å; Q374-L378 PolarHBondContact O-N 2.75Å; A375-L378 PolarHBondContact O-N 3.06Å; I376-L378 VanDerWaalsContact C-N 3.34Å; I376-L378 PolarHBondContact O-N 2.84Å; L378-L381 PolarHBondContact O-N 3.17Å; L378-G382 PolarHBondContact O-N 3.09Å
379	Y	98	Very high	95.6	Very high	5 Å²	5	53.8 Å²	53.8	2%	0.02	26%	0.259	C	S	.	.	H	α-helix	trans	-66.3	-38.9	173.3	-69.8	-54.4	0	0	0	112.4	A363 N364 A375 I376 L381 G382 I383 L392 N395 R396	A363-Y379 HydrophobicContact CB-CD1 3.66Å; A363-Y379 HydrophobicContact CB-CD2 4.19Å; A363-Y379 HydrophobicContact CB-CE1 3.4Å; A363-Y379 HydrophobicContact CB-CE2 3.96Å; A363-Y379 HydrophobicContact CB-CG 4.03Å; N364-Y379 PolarHBondContact OD1-OH 2.74Å; A375-Y379 HydrophobicContact CB-CE2 4.19Å; A375-Y379 WeakPolarHBondContact O-CD2 3.41Å; A375-Y379 PolarHBondContact O-N 3.46Å; I376-Y379 PolarHBondContact O-N 2.87Å; Y379-L381 VanDerWaalsContact C-N 3.31Å; Y379-L381 PolarHBondContact O-N 3.21Å; Y379-G382 PolarHBondContact O-N 2.88Å; Y379-I383 WeakPolarHBondContact O-CB 3.38Å; Y379-I383 VanDerWaalsContact O-CG1 3.26Å; Y379-I383 WeakPolarHBondContact O-CG1 3.24Å; Y379-I383 PolarHBondContact O-N 3.36Å; Y379-L392 HydrophobicContact CD1-CD2 4.28Å; Y379-N395 HydrophobicContact CD1-CB 4.14Å; Y379-N395 HydrophobicContact CE1-CB 3.55Å; Y379-N395 HydrophobicContact CE2-CB 4.04Å; Y379-R396 HydrophobicContact CD2-CB 4.17Å; Y379-R396 HydrophobicContact CD2-CG 4.5Å; Y379-R396 HydrophobicContact CG-CB 4.13Å
380	S	97.1	Very high	95.4	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.014	23%	0.231	C	C	.	.	H	α-helix	trans	-60.6	-41.8	175.2	-74.2	0	0	0	0	111.9	I376 Q377 I383 H384 R396 T560	I376-S380 WeakPolarHBondContact O-CB 3.39Å; I376-S380 PolarHBondContact O-N 3.24Å; I376-S380 PolarHBondContact O-OG 3.08Å; Q377-S380 PolarHBondContact O-N 2.92Å; S380-I383 PolarHBondContact O-N 3.45Å; S380-H384 WeakPolarHBondContact O-CB 3.2Å; S380-H384 PolarHBondContact O-N 3.02Å; S380-R396 PolarHBondContact OG-NH1 3.27Å; S380-T560 VanDerWaalsContact CB-O 3.23Å; S380-T560 WeakPolarHBondContact CB-O 3.35Å; S380-T560 PolarHBondContact OG-O 2.94Å
381	L	96	Very high	95.3	Very high	56 Å²	56	43.7 Å²	43.7	29%	0.293	22%	0.223	S	C	.	.	H	α-helix	trans	-60.2	-49.5	172.4	-178.4	63.8	0	0	0	111.3	I359 Q377 L378 Y379 I383 H384 E385	I359-L381 HydrophobicContact CD1-CD2 3.94Å; I359-L381 HydrophobicContact CD1-CG 4.2Å; Q377-L381 PolarHBondContact O-N 3.22Å; L378-L381 PolarHBondContact O-N 3.17Å; Y379-L381 VanDerWaalsContact C-N 3.31Å; Y379-L381 PolarHBondContact O-N 3.21Å; L381-I383 VanDerWaalsContact C-N 3.32Å; L381-I383 PolarHBondContact O-N 3.02Å; L381-H384 WeakPolarHBondContact O-CB 3.37Å; L381-H384 PolarHBondContact O-N 2.79Å; L381-E385 PolarHBondContact O-N 3.05Å
382	G	95.5	Very high	95.3	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.01	21%	0.209	C	C	.	.	H	α-helix	trans	-60.4	-39	177.8	0	0	0	0	0	113.4	L378 Y379 E385 A386 L392	L378-G382 PolarHBondContact O-N 3.09Å; Y379-G382 PolarHBondContact O-N 2.88Å; G382-E385 PolarHBondContact O-N 3.23Å; G382-A386 PolarHBondContact O-N 2.99Å; G382-L392 WeakPolarHBondContact O-CD1 3.33Å
383	I	95.7	Very high	95.3	Very high	10 Å²	10	39.2 Å²	39.2	5%	0.051	20%	0.204	C	C	.	.	H	α-helix	trans	-67.5	-38.4	176.7	-72.9	165.2	0	0	0	111.2	Y379 S380 L381 E385 A386 R387 L392 Y393 R396	Y379-I383 WeakPolarHBondContact O-CB 3.38Å; Y379-I383 VanDerWaalsContact O-CG1 3.26Å; Y379-I383 WeakPolarHBondContact O-CG1 3.24Å; Y379-I383 PolarHBondContact O-N 3.36Å; S380-I383 PolarHBondContact O-N 3.45Å; L381-I383 VanDerWaalsContact C-N 3.32Å; L381-I383 PolarHBondContact O-N 3.02Å; I383-E385 VanDerWaalsContact C-N 3.28Å; I383-E385 PolarHBondContact O-N 3.22Å; I383-A386 CarbonylContact O-C 3.5Å; I383-A386 VanDerWaalsContact O-C 3.3Å; I383-A386 PolarHBondContact O-N 3Å; I383-R387 WeakPolarHBondContact O-CA 3.49Å; I383-R387 VanDerWaalsContact O-CG 3.32Å; I383-R387 WeakPolarHBondContact O-CG 3.5Å; I383-R387 PolarHBondContact O-N 2.77Å; I383-L392 HydrophobicContact CD1-CB 4.28Å; I383-L392 HydrophobicContact CG1-CB 3.61Å; I383-L392 HydrophobicContact CG1-CD1 4.44Å; I383-Y393 HydrophobicContact CD1-CD1 3.84Å; I383-Y393 HydrophobicContact CD1-CE1 4.08Å; I383-Y393 HydrophobicContact CD1-CG 4.18Å; I383-Y393 HydrophobicContact CG1-CD1 4.44Å; I383-Y393 HydrophobicContact CG1-CE1 4.4Å; I383-Y393 HydrophobicContact CG2-CD1 4.44Å; I383-Y393 HydrophobicContact CG2-CE1 3.62Å; I383-Y393 HydrophobicContact CG2-CE2 4.15Å; I383-Y393 VanDerWaalsContact CG2-CZ 3.45Å; I383-Y393 WeakPolarHBondContact CG2-OH 3.48Å; I383-R396 HydrophobicContact CD1-CB 4.23Å
384	H	93.6	Very high	95.3	Very high	69 Å²	69	38.4 Å²	38.4	32%	0.319	20%	0.199	S	C	.	.	H	α-helix	trans	-60.4	-41.7	177.5	-177.7	66.6	0	0	0	111.4	S380 L381 T560	S380-H384 WeakPolarHBondContact O-CB 3.2Å; S380-H384 PolarHBondContact O-N 3.02Å; L381-H384 WeakPolarHBondContact O-CB 3.37Å; L381-H384 PolarHBondContact O-N 2.79Å; H384-T560 HydrophobicContact CB-CG2 3.91Å
385	E	92	Very high	95.4	Very high	93 Å²	93	35.8 Å²	35.8	44%	0.435	19%	0.187	S	C	.	.	H	α-helix	trans	-76.7	-32.8	176.6	-70.9	-171	-174.7	0	0	113.7	H355 L356 L381 G382 I383	H355-E385 IonicContact CD2-OE2 2.67Å; H355-E385 PolarHBondContact CD2-OE2 3.49Å; H355-E385 IonicContact NE2-OE1 2.62Å; L356-E385 HydrophobicContact CD2-CB 3.68Å; L356-E385 HydrophobicContact CD2-CG 4.49Å; L356-E385 VanDerWaalsContact CD2-OE2 3.24Å; L356-E385 WeakPolarHBondContact CD2-OE2 3.48Å; L381-E385 PolarHBondContact O-N 3.05Å; G382-E385 PolarHBondContact O-N 3.23Å; I383-E385 VanDerWaalsContact C-N 3.28Å; I383-E385 PolarHBondContact O-N 3.22Å
386	A	92.1	Very high	95.4	Very high	19 Å²	19	37.4 Å²	37.4	16%	0.157	19%	0.193	C	C	.	.			trans	-130.3	66.2	-176.5	0	0	0	0	0	113	L356 G382 I383 G388 N389 L392	L356-A386 HydrophobicContact CD1-CB 3.79Å; L356-A386 HydrophobicContact CD2-CB 4.42Å; G382-A386 PolarHBondContact O-N 2.99Å; I383-A386 CarbonylContact O-C 3.5Å; I383-A386 VanDerWaalsContact O-C 3.3Å; I383-A386 PolarHBondContact O-N 3Å; A386-G388 PolarHBondContact O-N 2.93Å; A386-N389 HydrophobicContact CB-CB 4.31Å; A386-N389 PolarHBondContact O-N 2.87Å; A386-L392 HydrophobicContact CB-CD1 4.27Å
387	R	91.3	Very high	95.4	Very high	147 Å²	147	37 Å²	37	56%	0.555	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-17.3	-178.1	-62.8	-179.6	179.8	-166.2	-7.5	115.1	I383 Y393 E559	I383-R387 WeakPolarHBondContact O-CA 3.49Å; I383-R387 VanDerWaalsContact O-CG 3.32Å; I383-R387 WeakPolarHBondContact O-CG 3.5Å; I383-R387 PolarHBondContact O-N 2.77Å; R387-Y393 WeakPolarHBondContact O-CE2 3.39Å; R387-Y393 PolarHBondContact O-OH 2.86Å; R387-E559 IonicContact NH2-OE2 3.43Å; R387-E559 PolarHBondContact NH2-OE2 3.12Å
388	G	90.8	Very high	95.4	Very high	60 Å²	60	34.8 Å²	34.8	62%	0.619	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91	-2.1	178.7	0	0	0	0	0	115	A386 A390	A386-G388 PolarHBondContact O-N 2.93Å; G388-A390 PolarHBondContact O-N 2.98Å
389	N	93.3	Very high	95.5	Very high	31 Å²	31	33.3 Å²	33.3	17%	0.166	18%	0.175	C	C	.	.			trans	-92	104.5	-174.2	-168.2	-60.3	0	0	0	112.4	L352 A386 M391 L392 Y393	L352-N389 WeakPolarHBondContact CD2-ND2 3.36Å; A386-N389 HydrophobicContact CB-CB 4.31Å; A386-N389 PolarHBondContact O-N 2.87Å; N389-M391 PolarHBondContact O-N 3.03Å; N389-M391 VanDerWaalsContact OD1-CB 3.32Å; N389-M391 WeakPolarHBondContact OD1-CB 3.16Å; N389-M391 PolarHBondContact OD1-N 2.73Å; N389-L392 HydrophobicContact CB-CD1 4.03Å; N389-L392 HydrophobicContact CB-CG 4.19Å; N389-L392 PolarHBondContact O-N 2.75Å; N389-L392 PolarHBondContact OD1-N 3.31Å; N389-Y393 VanDerWaalsContact O-CD2 3.3Å; N389-Y393 WeakPolarHBondContact O-CD2 3.43Å
390	A	94.2	Very high	95.5	Very high	11 Å²	11	33.6 Å²	33.6	9%	0.091	18%	0.176	C	C	.	.	H	α-helix	trans	-58	-32.2	-179.9	0	0	0	0	0	114.1	G388 Y393 G394 A419 L422 N423	G388-A390 PolarHBondContact O-N 2.98Å; A390-Y393 PolarHBondContact O-N 3.5Å; A390-G394 PolarHBondContact O-N 2.94Å; A390-A419 HydrophobicContact CB-CB 4.45Å; A390-A419 WeakPolarHBondContact CB-O 3.14Å; A390-A419 WeakPolarHBondContact O-CB 3.39Å; A390-L422 HydrophobicContact CB-CB 3.82Å; A390-N423 HydrophobicContact CB-CB 3.75Å
391	M	94.5	Very high	95.5	Very high	97 Å²	97	34.4 Å²	34.4	48%	0.478	18%	0.18	S	C	.	.	H	α-helix	trans	-70.2	-37.2	-175.2	-173.4	144.2	-69.9	0	0	112.5	N389 G394 N395	N389-M391 PolarHBondContact O-N 3.03Å; N389-M391 VanDerWaalsContact OD1-CB 3.32Å; N389-M391 WeakPolarHBondContact OD1-CB 3.16Å; N389-M391 PolarHBondContact OD1-N 2.73Å; M391-G394 PolarHBondContact O-N 3Å; M391-N395 WeakPolarHBondContact O-CB 3.44Å; M391-N395 PolarHBondContact O-N 3.01Å
392	L	96	Very high	95.6	Very high	4 Å²	4	37.6 Å²	37.6	2%	0.021	19%	0.192	C	C	.	.	H	α-helix	trans	-63.4	-43.6	178	-63.5	177.2	0	0	0	111.1	K360 Y379 G382 I383 A386 N389 N395 R396	K360-L392 HydrophobicContact CB-CD2 4.32Å; K360-L392 HydrophobicContact CD-CD2 4.4Å; K360-L392 HydrophobicContact CG-CD2 4.05Å; Y379-L392 HydrophobicContact CD1-CD2 4.28Å; G382-L392 WeakPolarHBondContact O-CD1 3.33Å; I383-L392 HydrophobicContact CD1-CB 4.28Å; I383-L392 HydrophobicContact CG1-CB 3.61Å; I383-L392 HydrophobicContact CG1-CD1 4.44Å; A386-L392 HydrophobicContact CB-CD1 4.27Å; N389-L392 HydrophobicContact CB-CD1 4.03Å; N389-L392 HydrophobicContact CB-CG 4.19Å; N389-L392 PolarHBondContact O-N 2.75Å; N389-L392 PolarHBondContact OD1-N 3.31Å; L392-N395 PolarHBondContact O-N 3.41Å; L392-R396 WeakPolarHBondContact O-CB 3.33Å; L392-R396 PolarHBondContact O-N 3.19Å
393	Y	97.4	Very high	95.7	Very high	23 Å²	23	39.1 Å²	39.1	9%	0.09	20%	0.197	C	C	.	.	H	α-helix	trans	-59.6	-48.5	172.1	-71.3	-76.8	0	0	0	111.5	I383 R387 N389 A390 N395 R396 A397 D415 K418 L422	I383-Y393 HydrophobicContact CD1-CD1 3.84Å; I383-Y393 HydrophobicContact CD1-CE1 4.08Å; I383-Y393 HydrophobicContact CD1-CG 4.18Å; I383-Y393 HydrophobicContact CG1-CD1 4.44Å; I383-Y393 HydrophobicContact CG1-CE1 4.4Å; I383-Y393 HydrophobicContact CG2-CD1 4.44Å; I383-Y393 HydrophobicContact CG2-CE1 3.62Å; I383-Y393 HydrophobicContact CG2-CE2 4.15Å; I383-Y393 VanDerWaalsContact CG2-CZ 3.45Å; I383-Y393 WeakPolarHBondContact CG2-OH 3.48Å; R387-Y393 WeakPolarHBondContact O-CE2 3.39Å; R387-Y393 PolarHBondContact O-OH 2.86Å; N389-Y393 VanDerWaalsContact O-CD2 3.3Å; N389-Y393 WeakPolarHBondContact O-CD2 3.43Å; A390-Y393 PolarHBondContact O-N 3.5Å; Y393-N395 VanDerWaalsContact C-N 3.29Å; Y393-N395 PolarHBondContact O-N 2.84Å; Y393-R396 PolarHBondContact O-N 3.35Å; Y393-A397 WeakPolarHBondContact O-CB 3.47Å; Y393-A397 PolarHBondContact O-N 3.32Å; Y393-D415 HydrophobicContact CD1-CB 4.43Å; Y393-D415 WeakPolarHBondContact CD1-OD1 3.33Å; Y393-K418 HydrophobicContact CD1-CB 4.2Å; Y393-K418 HydrophobicContact CD1-CG 4.02Å; Y393-K418 HydrophobicContact CD2-CG 4.18Å; Y393-K418 HydrophobicContact CE1-CB 4.34Å; Y393-K418 HydrophobicContact CE1-CG 3.76Å; Y393-K418 HydrophobicContact CE2-CG 3.93Å; Y393-K418 HydrophobicContact CG-CB 4.44Å; Y393-K418 HydrophobicContact CG-CG 4.23Å; Y393-L422 HydrophobicContact CD2-CD1 3.88Å; Y393-L422 HydrophobicContact CE2-CD1 3.78Å
394	G	97.1	Very high	95.6	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-58.9	-38.2	178.1	0	0	0	0	0	113.4	A390 M391 A398 R432	A390-G394 PolarHBondContact O-N 2.94Å; M391-G394 PolarHBondContact O-N 3Å; G394-A398 PolarHBondContact O-N 3.24Å; G394-R432 PolarHBondContact O-NH1 3.19Å
395	N	97.5	Very high	95.7	Very high	26 Å²	26	42.8 Å²	42.8	14%	0.139	21%	0.211	C	C	.	.	H	α-helix	trans	-75.1	-39.7	178.5	-72.5	-3.2	0	0	0	112.4	Y379 M391 L392 Y393 A397 A398 A399	Y379-N395 HydrophobicContact CD1-CB 4.14Å; Y379-N395 HydrophobicContact CE1-CB 3.55Å; Y379-N395 HydrophobicContact CE2-CB 4.04Å; M391-N395 WeakPolarHBondContact O-CB 3.44Å; M391-N395 PolarHBondContact O-N 3.01Å; L392-N395 PolarHBondContact O-N 3.41Å; Y393-N395 VanDerWaalsContact C-N 3.29Å; Y393-N395 PolarHBondContact O-N 2.84Å; N395-A397 VanDerWaalsContact C-N 3.34Å; N395-A398 WeakPolarHBondContact O-CB 3.3Å; N395-A398 PolarHBondContact O-N 3.22Å; N395-A399 PolarHBondContact O-N 2.83Å; N395-A399 VanDerWaalsContact O-N 3.15Å
396	R	98.1	Very high	95.7	Very high	33 Å²	33	39 Å²	39	13%	0.125	19%	0.194	C	C	.	.	H	α-helix	trans	-63.4	-40.5	174.4	-165	174.1	64.4	177.4	-0.4	111.8	I376 Y379 S380 I383 L392 Y393 A398 A399 Y400 D415	I376-R396 HydrophobicContact CG2-CG 4.36Å; Y379-R396 HydrophobicContact CD2-CB 4.17Å; Y379-R396 HydrophobicContact CD2-CG 4.5Å; Y379-R396 HydrophobicContact CG-CB 4.13Å; S380-R396 PolarHBondContact OG-NH1 3.27Å; I383-R396 HydrophobicContact CD1-CB 4.23Å; L392-R396 WeakPolarHBondContact O-CB 3.33Å; L392-R396 PolarHBondContact O-N 3.19Å; Y393-R396 PolarHBondContact O-N 3.35Å; R396-A398 VanDerWaalsContact C-N 3.27Å; R396-A398 PolarHBondContact O-N 2.9Å; R396-A399 WeakPolarHBondContact O-CB 3.49Å; R396-A399 PolarHBondContact O-N 2.92Å; R396-Y400 HydrophobicContact CG-CD2 4.09Å; R396-Y400 HydrophobicContact CG-CE2 3.66Å; R396-Y400 WeakPolarHBondContact O-CD2 3.38Å; R396-Y400 PolarHBondContact O-N 2.89Å; R396-D415 WeakPolarHBondContact CB-OD2 3.16Å; R396-D415 IonicContact CZ-OD1 3.03Å; R396-D415 IonicContact CZ-OD2 3.8Å; R396-D415 IonicContact NE-OD1 3.71Å; R396-D415 IonicContact NE-OD2 2.79Å; R396-D415 PolarHBondContact NE-OD2 3.45Å; R396-D415 IonicContact NH2-OD1 2.84Å; R396-D415 PolarHBondContact NH2-OD1 3.35Å; R396-D415 IonicContact NH2-OD2 2.79Å; R396-D415 PolarHBondContact NH2-OD2 2.96Å
397	A	98.3	Very high	95.7	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-55.5	-42.1	172.2	0	0	0	0	0	112.3	Y393 N395 A399 Y400 M401 A412 D415	Y393-A397 WeakPolarHBondContact O-CB 3.47Å; Y393-A397 PolarHBondContact O-N 3.32Å; N395-A397 VanDerWaalsContact C-N 3.34Å; A397-A399 VanDerWaalsContact C-N 3.32Å; A397-A399 PolarHBondContact O-N 3.38Å; A397-Y400 PolarHBondContact O-N 3.34Å; A397-M401 VanDerWaalsContact O-CG 3.25Å; A397-M401 WeakPolarHBondContact O-CG 3.5Å; A397-M401 PolarHBondContact O-N 3.32Å; A397-A412 HydrophobicContact CB-CB 4.14Å; A397-D415 HydrophobicContact CB-CB 3.85Å
398	A	98.3	Very high	96	Very high	12 Å²	12	31.2 Å²	31.2	10%	0.099	16%	0.161	C	C	.	.	H	α-helix	trans	-63.4	-38.2	176.3	0	0	0	0	0	112.4	F367 G394 N395 R396 K402	F367-A398 HydrophobicContact CE2-CB 4.15Å; F367-A398 HydrophobicContact CZ-CB 4.33Å; G394-A398 PolarHBondContact O-N 3.24Å; N395-A398 WeakPolarHBondContact O-CB 3.3Å; N395-A398 PolarHBondContact O-N 3.22Å; R396-A398 VanDerWaalsContact C-N 3.27Å; R396-A398 PolarHBondContact O-N 2.9Å; A398-K402 WeakPolarHBondContact O-CG 3.41Å; A398-K402 PolarHBondContact O-N 2.95Å
399	A	98.3	Very high	96.2	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-66.9	-43.2	177.4	0	0	0	0	0	111.7	F367 A375 I376 N395 R396 A397 M401 K402 R403	F367-A399 HydrophobicContact CD2-CB 3.97Å; F367-A399 HydrophobicContact CE2-CB 4.16Å; A375-A399 HydrophobicContact CB-CB 4.46Å; I376-A399 HydrophobicContact CD1-CB 4.3Å; I376-A399 HydrophobicContact CG1-CB 3.58Å; N395-A399 PolarHBondContact O-N 2.83Å; N395-A399 VanDerWaalsContact O-N 3.15Å; R396-A399 WeakPolarHBondContact O-CB 3.49Å; R396-A399 PolarHBondContact O-N 2.92Å; A397-A399 VanDerWaalsContact C-N 3.32Å; A397-A399 PolarHBondContact O-N 3.38Å; A399-M401 PolarHBondContact O-N 3.48Å; A399-K402 PolarHBondContact O-N 3.37Å; A399-K402 VanDerWaalsContact O-N 3.12Å; A399-R403 PolarHBondContact O-N 3.1Å
400	Y	98.4	Very high	96.4	Very high	11 Å²	11	28.3 Å²	28.3	4%	0.043	13%	0.13	C	C	.	.	H	α-helix	trans	-58.2	-47.5	173	-76.8	-52.2	0	0	0	112.6	I376 R396 A397 K402 R403 K404 D408 D411	I376-Y400 HydrophobicContact CD1-CD1 3.57Å; I376-Y400 HydrophobicContact CD1-CE1 3.75Å; I376-Y400 HydrophobicContact CD1-CG 4.3Å; I376-Y400 HydrophobicContact CG1-CD1 4.17Å; I376-Y400 HydrophobicContact CG1-CE1 4.14Å; I376-Y400 HydrophobicContact CG2-CE1 3.69Å; R396-Y400 HydrophobicContact CG-CD2 4.09Å; R396-Y400 HydrophobicContact CG-CE2 3.66Å; R396-Y400 WeakPolarHBondContact O-CD2 3.38Å; R396-Y400 PolarHBondContact O-N 2.89Å; A397-Y400 PolarHBondContact O-N 3.34Å; Y400-K402 PolarHBondContact O-N 3.23Å; Y400-K402 VanDerWaalsContact O-N 3.12Å; Y400-R403 PolarHBondContact O-N 2.79Å; Y400-K404 PolarHBondContact O-N 3.25Å; Y400-D408 HydrophobicContact CD1-CB 4.3Å; Y400-D408 WeakPolarHBondContact O-CB 3.17Å; Y400-D411 HydrophobicContact CD1-CB 4.43Å; Y400-D411 HydrophobicContact CD2-CB 3.91Å; Y400-D411 HydrophobicContact CE1-CB 4.37Å; Y400-D411 HydrophobicContact CE2-CB 3.8Å; Y400-D411 HydrophobicContact CG-CB 4.24Å
401	M	97.9	Very high	96.5	Very high	20 Å²	20	28.3 Å²	28.3	10%	0.099	13%	0.129	C	C	.	.	H	α-helix	trans	-61.4	-22.3	177.6	-66.1	170.6	80.7	0	0	113.5	A397 A399 K404 A412 R432 R435	A397-M401 VanDerWaalsContact O-CG 3.25Å; A397-M401 WeakPolarHBondContact O-CG 3.5Å; A397-M401 PolarHBondContact O-N 3.32Å; A399-M401 PolarHBondContact O-N 3.48Å; M401-K404 VanDerWaalsContact O-CG 3.25Å; M401-K404 WeakPolarHBondContact O-CG 3.46Å; M401-A412 HydrophobicContact CG-CB 3.73Å; M401-R432 HydrophobicContact CE-CB 4.39Å; M401-R432 HydrophobicContact CE-CG 4.3Å; M401-R432 HydrophobicContact SD-CB 3.88Å; M401-R432 HydrophobicContact SD-CG 3.75Å; M401-R435 HydrophobicContact CE-CB 3.93Å; M401-R435 HydrophobicContact CE-CG 3.68Å
402	K	97.7	Very high	96.6	Very high	123 Å²	123	23.7 Å²	23.7	54%	0.535	11%	0.106	S	C	.	.	H	α-helix	trans	-89	-38.6	175.9	-70	-65.6	-174.4	175.5	0	112.7	F367 W372 A398 A399 Y400	F367-K402 HydrophobicContact CE2-CG 4.24Å; F367-K402 HydrophobicContact CZ-CG 4.15Å; W372-K402 HydrophobicContact CD2-CB 3.79Å; W372-K402 HydrophobicContact CE3-CB 3.84Å; W372-K402 HydrophobicContact CE3-CG 4.43Å; W372-K402 HydrophobicContact CG-CB 4.35Å; W372-K402 HydrophobicContact CH2-CB 4.24Å; W372-K402 HydrophobicContact CH2-CG 4.28Å; W372-K402 HydrophobicContact CZ2-CB 4.19Å; W372-K402 HydrophobicContact CZ3-CB 4.07Å; W372-K402 HydrophobicContact CZ3-CG 4.19Å; A398-K402 WeakPolarHBondContact O-CG 3.41Å; A398-K402 PolarHBondContact O-N 2.95Å; A399-K402 PolarHBondContact O-N 3.37Å; A399-K402 VanDerWaalsContact O-N 3.12Å; Y400-K402 PolarHBondContact O-N 3.23Å; Y400-K402 VanDerWaalsContact O-N 3.12Å
403	R	96.4	Very high	96.6	Very high	32 Å²	32	23.7 Å²	23.7	12%	0.121	11%	0.106	C	C	.	.	H	α-helix	trans	-66.4	-40.1	177.4	-172.2	179.2	70.7	167.8	3.4	112.4	W372 I376 A399 Y400 W405 D408	W372-R403 HydrophobicContact CB-CB 3.83Å; W372-R403 HydrophobicContact CB-CG 4.31Å; W372-R403 HydrophobicContact CG-CB 4.42Å; I376-R403 HydrophobicContact CD1-CB 4.2Å; A399-R403 PolarHBondContact O-N 3.1Å; Y400-R403 PolarHBondContact O-N 2.79Å; R403-W405 VanDerWaalsContact C-N 3.29Å; R403-W405 HydrophobicContact CG-CD2 4.15Å; R403-W405 HydrophobicContact CG-CG 3.93Å; R403-W405 PolarHBondContact O-N 3.21Å; R403-D408 WeakPolarHBondContact CB-OD2 3.4Å; R403-D408 IonicContact CZ-OD1 2.72Å; R403-D408 IonicContact CZ-OD2 3.63Å; R403-D408 IonicContact NE-OD1 2.98Å; R403-D408 IonicContact NE-OD2 3.71Å; R403-D408 PolarHBondContact NE-OD2 3.37Å; R403-D408 IonicContact NH2-OD1 2.73Å; R403-D408 PolarHBondContact NH2-OD1 2.87Å; R403-D408 IonicContact NH2-OD2 3.85Å; R403-D408 PolarHBondContact NH2-OD2 2.9Å
404	K	94.7	Very high	96.5	Very high	133 Å²	133	24.3 Å²	24.3	58%	0.578	11%	0.108	S	C	*	.			trans	56.7	33.1	173.6	-59	-177.4	175.7	-171.7	0	115.1	Y400 M401 D408	Y400-K404 PolarHBondContact O-N 3.25Å; M401-K404 VanDerWaalsContact O-CG 3.25Å; M401-K404 WeakPolarHBondContact O-CG 3.46Å; K404-D408 PolarHBondContact N-OD2 3Å
405	W	94.9	Very high	96.5	Very high	23 Å²	23	24.8 Å²	24.8	9%	0.087	11%	0.111	C	C	.	.			trans	-69.7	161.7	167.4	-68	5.6	0	0	0	110.5	R403 G407 D408 C522 A619 Q620 Q623	R403-W405 VanDerWaalsContact C-N 3.29Å; R403-W405 HydrophobicContact CG-CD2 4.15Å; R403-W405 HydrophobicContact CG-CG 3.93Å; R403-W405 PolarHBondContact O-N 3.21Å; W405-G407 PolarHBondContact O-N 3.29Å; W405-D408 WeakPolarHBondContact CB-OD2 3.1Å; W405-D408 PolarHBondContact N-OD2 2.69Å; W405-D408 VanDerWaalsContact O-CB 3.27Å; W405-D408 WeakPolarHBondContact O-CB 3.4Å; W405-D408 PolarHBondContact O-N 3.1Å; W405-C522 HydrophobicContact CE3-CB 4.08Å; W405-C522 HydrophobicContact CZ3-CB 4.03Å; W405-A619 HydrophobicContact CH2-CB 3.69Å; W405-A619 HydrophobicContact CZ3-CB 4.34Å; W405-Q620 HydrophobicContact CZ2-CB 4.42Å; W405-Q623 HydrophobicContact CB-CG 4.12Å; W405-Q623 HydrophobicContact CD2-CB 4.26Å; W405-Q623 HydrophobicContact CD2-CG 3.99Å; W405-Q623 HydrophobicContact CG-CB 4.46Å; W405-Q623 HydrophobicContact CG-CG 3.69Å
406	D	91.9	Very high	96.4	Very high	15 Å²	15	23.6 Å²	23.6	8%	0.08	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	126.9	176.6	-79	-39.9	0	0	0	109.7	K258 R267 D408 R520 Q623 N627	K258-D406 IonicContact NZ-OD1 3.01Å; R267-D406 IonicContact CZ-OD2 3.6Å; R267-D406 IonicContact NH1-OD2 3.27Å; R267-D406 PolarHBondContact NH1-OD2 3.24Å; R267-D406 IonicContact NH2-OD2 3.71Å; D406-D408 VanDerWaalsContact C-N 3.35Å; D406-D408 PolarHBondContact O-N 3.02Å; D406-R520 PolarHBondContact O-NH1 3.3Å; D406-Q623 VanDerWaalsContact N-NE2 3.19Å; D406-Q623 PolarHBondContact OD2-NE2 3.15Å; D406-N627 PolarHBondContact OD2-ND2 3.35Å; D406-N627 PolarHBondContact OD2-OD1 3.43Å
407	G	93.2	Very high	96.2	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.01	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.9	-4.6	-177.5	0	0	0	0	0	116.2	W405 H409 Y410 D411	W405-G407 PolarHBondContact O-N 3.29Å; G407-H409 VanDerWaalsContact C-N 3.32Å; G407-H409 PolarHBondContact O-N 2.77Å; G407-Y410 WeakPolarHBondContact O-CA 3.28Å; G407-Y410 WeakPolarHBondContact O-CB 3.39Å; G407-Y410 PolarHBondContact O-N 3.29Å; G407-D411 PolarHBondContact O-N 3.49Å; G407-D411 VanDerWaalsContact O-N 3.09Å
408	D	96.8	Very high	95.9	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-60.3	-38	179.2	-81.4	1.5	0	0	0	113.5	Y400 R403 K404 W405 D406 Y410 D411 A412 R520	Y400-D408 HydrophobicContact CD1-CB 4.3Å; Y400-D408 WeakPolarHBondContact O-CB 3.17Å; R403-D408 WeakPolarHBondContact CB-OD2 3.4Å; R403-D408 IonicContact CZ-OD1 2.72Å; R403-D408 IonicContact CZ-OD2 3.63Å; R403-D408 IonicContact NE-OD1 2.98Å; R403-D408 IonicContact NE-OD2 3.71Å; R403-D408 PolarHBondContact NE-OD2 3.37Å; R403-D408 IonicContact NH2-OD1 2.73Å; R403-D408 PolarHBondContact NH2-OD1 2.87Å; R403-D408 IonicContact NH2-OD2 3.85Å; R403-D408 PolarHBondContact NH2-OD2 2.9Å; K404-D408 PolarHBondContact N-OD2 3Å; W405-D408 WeakPolarHBondContact CB-OD2 3.1Å; W405-D408 PolarHBondContact N-OD2 2.69Å; W405-D408 VanDerWaalsContact O-CB 3.27Å; W405-D408 WeakPolarHBondContact O-CB 3.4Å; W405-D408 PolarHBondContact O-N 3.1Å; D406-D408 VanDerWaalsContact C-N 3.35Å; D406-D408 PolarHBondContact O-N 3.02Å; D408-Y410 PolarHBondContact O-N 2.72Å; D408-D411 PolarHBondContact O-N 3.4Å; D408-A412 WeakPolarHBondContact O-CB 3.44Å; D408-A412 PolarHBondContact O-N 3Å; D408-R520 IonicContact OD1-CZ 2.68Å; D408-R520 IonicContact OD1-NH2 2.75Å; D408-R520 PolarHBondContact OD1-NH2 3.16Å
409	H	95.9	Very high	95.8	Very high	31 Å²	31	27.6 Å²	27.6	14%	0.144	12%	0.124	C	C	.	.	H	α-helix	trans	-62.7	-28.6	174.9	-66.4	95.6	0	0	0	112.2	G407 L413 E439 L440	G407-H409 VanDerWaalsContact C-N 3.32Å; G407-H409 PolarHBondContact O-N 2.77Å; H409-L413 WeakPolarHBondContact O-CB 3.5Å; H409-L413 PolarHBondContact O-N 3.38Å; H409-E439 HydrophobicContact CB-CB 4.48Å; H409-L440 HydrophobicContact CB-CD2 4.12Å; H409-L440 HydrophobicContact CB-CG 4.15Å
410	Y	96	Very high	95.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-76.8	-43.3	175.7	-168.6	-115.7	0	0	0	111.9	H254 Y304 T305 G407 D408 A412 L413 R414 L440 D516 Y517	H254-Y410 HydrophobicContact CB-CD1 4.15Å; H254-Y410 HydrophobicContact CB-CD2 3.97Å; H254-Y410 HydrophobicContact CB-CG 3.67Å; H254-Y410 AromaticContact CG-CG 3.94Å; H254-Y410 AromaticContact ND1-CD1 3.32Å; H254-Y410 VanDerWaalsContact ND1-CD1 3.32Å; H254-Y410 WeakPolarHBondContact ND1-CD1 3.27Å; H254-Y410 AromaticContact ND1-CG 3.66Å; Y304-Y410 PolarHBondContact N-OH 3.49Å; T305-Y410 HydrophobicContact CG2-CD2 4.39Å; T305-Y410 HydrophobicContact CG2-CE2 3.76Å; G407-Y410 WeakPolarHBondContact O-CA 3.28Å; G407-Y410 WeakPolarHBondContact O-CB 3.39Å; G407-Y410 PolarHBondContact O-N 3.29Å; D408-Y410 PolarHBondContact O-N 2.72Å; Y410-A412 VanDerWaalsContact C-N 3.28Å; Y410-A412 PolarHBondContact O-N 3.08Å; Y410-L413 HydrophobicContact CD2-CD2 4Å; Y410-L413 HydrophobicContact CE2-CD2 3.95Å; Y410-L413 VanDerWaalsContact O-CB 3.31Å; Y410-L413 WeakPolarHBondContact O-CB 3.46Å; Y410-L413 PolarHBondContact O-N 2.85Å; Y410-L413 VanDerWaalsContact O-N 3.16Å; Y410-R414 HydrophobicContact CD1-CG 4.44Å; Y410-R414 HydrophobicContact CE1-CG 4.22Å; Y410-R414 WeakPolarHBondContact O-CG 3.37Å; Y410-R414 PolarHBondContact O-N 2.63Å; Y410-L440 HydrophobicContact CD2-CD1 3.99Å; Y410-D516 WeakPolarHBondContact CE1-OD2 3.29Å; Y410-D516 PolarHBondContact OH-OD2 3.24Å; Y410-Y517 AromaticContact CD1-CE1 3.8Å; Y410-Y517 HydrophobicContact CD1-CE1 3.8Å; Y410-Y517 AromaticContact CD1-CZ 3.97Å; Y410-Y517 WeakPolarHBondContact CD1-OH 3.47Å; Y410-Y517 AromaticContact CE1-CE1 3.69Å; Y410-Y517 HydrophobicContact CE1-CE1 3.69Å
411	D	96.7	Very high	95.1	Very high	11 Å²	11	30.4 Å²	30.4	6%	0.059	15%	0.148	C	C	.	.	H	α-helix	trans	-61.3	-38.8	171.9	-83.7	-16.4	0	0	0	111.8	Y400 G407 D408 R414 D415 Y517 R520	Y400-D411 HydrophobicContact CD1-CB 4.43Å; Y400-D411 HydrophobicContact CD2-CB 3.91Å; Y400-D411 HydrophobicContact CE1-CB 4.37Å; Y400-D411 HydrophobicContact CE2-CB 3.8Å; Y400-D411 HydrophobicContact CG-CB 4.24Å; G407-D411 PolarHBondContact O-N 3.49Å; G407-D411 VanDerWaalsContact O-N 3.09Å; D408-D411 PolarHBondContact O-N 3.4Å; D411-R414 PolarHBondContact O-N 2.86Å; D411-D415 WeakPolarHBondContact O-CB 3.25Å; D411-D415 PolarHBondContact O-N 3.18Å; D411-Y517 PolarHBondContact OD1-OH 3.14Å; D411-R520 IonicContact OD1-NE 2.78Å; D411-R520 IonicContact OD2-CZ 3Å; D411-R520 IonicContact OD2-NE 3.33Å; D411-R520 PolarHBondContact OD2-NE 3.38Å; D411-R520 IonicContact OD2-NH2 3.36Å; D411-R520 PolarHBondContact OD2-NH2 3.23Å
412	A	97.8	Very high	94.8	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-62.2	-41.5	173.3	0	0	0	0	0	112.3	A397 M401 D408 Y410 D415 C416	A397-A412 HydrophobicContact CB-CB 4.14Å; M401-A412 HydrophobicContact CG-CB 3.73Å; D408-A412 WeakPolarHBondContact O-CB 3.44Å; D408-A412 PolarHBondContact O-N 3Å; Y410-A412 VanDerWaalsContact C-N 3.28Å; Y410-A412 PolarHBondContact O-N 3.08Å; A412-D415 PolarHBondContact O-N 3.47Å; A412-C416 WeakPolarHBondContact O-CB 3.22Å; A412-C416 PolarHBondContact O-N 3Å; A412-C416 PolarHBondContact O-SG 2.53Å
413	L	95.9	Very high	94.6	Very high	4 Å²	4	30.3 Å²	30.3	2%	0.021	15%	0.153	C	C	.	.	H	α-helix	trans	-58.4	-50.5	173.2	-173.2	92.5	0	0	0	110.7	H409 Y410 D415 C416 V417 L433 C436 L437 L440	H409-L413 WeakPolarHBondContact O-CB 3.5Å; H409-L413 PolarHBondContact O-N 3.38Å; Y410-L413 HydrophobicContact CD2-CD2 4Å; Y410-L413 HydrophobicContact CE2-CD2 3.95Å; Y410-L413 VanDerWaalsContact O-CB 3.31Å; Y410-L413 WeakPolarHBondContact O-CB 3.46Å; Y410-L413 PolarHBondContact O-N 2.85Å; Y410-L413 VanDerWaalsContact O-N 3.16Å; L413-D415 VanDerWaalsContact C-N 3.34Å; L413-D415 PolarHBondContact O-N 3.03Å; L413-C416 PolarHBondContact O-N 2.9Å; L413-C416 VanDerWaalsContact O-N 3.15Å; L413-V417 WeakPolarHBondContact O-CG2 3.42Å; L413-V417 PolarHBondContact O-N 3.17Å; L413-L433 HydrophobicContact CD1-CD1 3.51Å; L413-L433 HydrophobicContact CD1-CG 4.45Å; L413-L433 HydrophobicContact CG-CD1 3.96Å; L413-C436 HydrophobicContact CB-CB 4.01Å; L413-C436 HydrophobicContact CD1-CB 3.79Å; L413-L437 HydrophobicContact CD1-CD2 3.61Å; L413-L437 HydrophobicContact CD1-CG 3.64Å; L413-L440 HydrophobicContact CB-CD1 4.3Å; L413-L440 HydrophobicContact CD1-CD1 4.46Å; L413-L440 HydrophobicContact CD2-CD1 4.16Å
414	R	94.6	Very high	94.2	Very high	36 Å²	36	31.8 Å²	31.8	14%	0.136	17%	0.167	C	C	.	.	H	α-helix	trans	-58.7	-44.3	179.2	-65.6	177.8	81.3	-127.2	-3.7	111.5	Y304 Y410 D411 V417 K418 D516 Y517	Y304-R414 HydrophobicContact CD2-CG 3.83Å; Y304-R414 HydrophobicContact CE2-CB 4.35Å; Y304-R414 HydrophobicContact CE2-CG 3.79Å; Y410-R414 HydrophobicContact CD1-CG 4.44Å; Y410-R414 HydrophobicContact CE1-CG 4.22Å; Y410-R414 WeakPolarHBondContact O-CG 3.37Å; Y410-R414 PolarHBondContact O-N 2.63Å; D411-R414 PolarHBondContact O-N 2.86Å; R414-V417 PolarHBondContact O-N 3.35Å; R414-K418 WeakPolarHBondContact O-CB 3.23Å; R414-K418 PolarHBondContact O-N 3.29Å; R414-D516 IonicContact NE-OD2 3.75Å; R414-D516 PolarHBondContact NE-OD2 3.5Å; R414-Y517 PolarHBondContact NH2-O 2.8Å
415	D	96.6	Very high	93.9	Very high	10 Å²	10	27.6 Å²	27.6	5%	0.053	16%	0.162	C	C	.	.	H	α-helix	trans	-64.2	-40.2	175.7	-84	-2.8	0	0	0	112.2	Y393 R396 A397 D411 A412 L413 K418 A419	Y393-D415 HydrophobicContact CD1-CB 4.43Å; Y393-D415 WeakPolarHBondContact CD1-OD1 3.33Å; R396-D415 WeakPolarHBondContact CB-OD2 3.16Å; R396-D415 IonicContact CZ-OD1 3.03Å; R396-D415 IonicContact CZ-OD2 3.8Å; R396-D415 IonicContact NE-OD1 3.71Å; R396-D415 IonicContact NE-OD2 2.79Å; R396-D415 PolarHBondContact NE-OD2 3.45Å; R396-D415 IonicContact NH2-OD1 2.84Å; R396-D415 PolarHBondContact NH2-OD1 3.35Å; R396-D415 IonicContact NH2-OD2 2.79Å; R396-D415 PolarHBondContact NH2-OD2 2.96Å; A397-D415 HydrophobicContact CB-CB 3.85Å; D411-D415 WeakPolarHBondContact O-CB 3.25Å; D411-D415 PolarHBondContact O-N 3.18Å; A412-D415 PolarHBondContact O-N 3.47Å; L413-D415 VanDerWaalsContact C-N 3.34Å; L413-D415 PolarHBondContact O-N 3.03Å; D415-K418 PolarHBondContact O-N 3.04Å; D415-A419 VanDerWaalsContact O-CB 3.32Å; D415-A419 WeakPolarHBondContact O-CB 3.47Å; D415-A419 PolarHBondContact O-N 3.2Å
416	C	96.1	Very high	93.8	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-64.8	-44.2	176.2	-68.8	0	0	0	0	111.7	A412 L413 K418 A419 L420 R432 L433	A412-C416 WeakPolarHBondContact O-CB 3.22Å; A412-C416 PolarHBondContact O-N 3Å; A412-C416 PolarHBondContact O-SG 2.53Å; L413-C416 PolarHBondContact O-N 2.9Å; L413-C416 VanDerWaalsContact O-N 3.15Å; C416-K418 VanDerWaalsContact C-N 3.32Å; C416-K418 PolarHBondContact O-N 3.32Å; C416-A419 PolarHBondContact O-N 3.14Å; C416-L420 VanDerWaalsContact O-CG 3.3Å; C416-L420 WeakPolarHBondContact O-CG 3.34Å; C416-L420 PolarHBondContact O-N 3.03Å; C416-R432 VanDerWaalsContact SG-CB 3.55Å; C416-L433 HydrophobicContact CB-CB 4.06Å; C416-L433 HydrophobicContact CB-CD1 4.06Å
417	V	93.3	Very high	93.9	Very high	39 Å²	39	29.1 Å²	29.1	24%	0.236	17%	0.171	C	C	.	.	H	α-helix	trans	-60.8	-44.1	175.4	175.2	0	0	0	0	110.5	Y304 L413 R414 L420 A421 L433	Y304-V417 HydrophobicContact CD1-CG1 4.29Å; Y304-V417 HydrophobicContact CD1-CG2 4.34Å; Y304-V417 HydrophobicContact CE1-CB 4.26Å; Y304-V417 HydrophobicContact CE1-CG1 3.64Å; Y304-V417 HydrophobicContact CE1-CG2 4.41Å; L413-V417 WeakPolarHBondContact O-CG2 3.42Å; L413-V417 PolarHBondContact O-N 3.17Å; R414-V417 PolarHBondContact O-N 3.35Å; V417-L420 PolarHBondContact O-N 3.45Å; V417-A421 WeakPolarHBondContact O-CB 3.27Å; V417-A421 PolarHBondContact O-N 3.08Å; V417-L433 HydrophobicContact CG2-CD1 3.61Å
418	K	93.3	Very high	93.9	Very high	91 Å²	91	35 Å²	35	40%	0.396	20%	0.196	S	C	.	.	H	α-helix	trans	-64.6	-41.2	177.7	-172.4	60.3	176.4	-179.9	0	112.2	Y393 R414 D415 C416 A421 L422	Y393-K418 HydrophobicContact CD1-CB 4.2Å; Y393-K418 HydrophobicContact CD1-CG 4.02Å; Y393-K418 HydrophobicContact CD2-CG 4.18Å; Y393-K418 HydrophobicContact CE1-CB 4.34Å; Y393-K418 HydrophobicContact CE1-CG 3.76Å; Y393-K418 HydrophobicContact CE2-CG 3.93Å; Y393-K418 HydrophobicContact CG-CB 4.44Å; Y393-K418 HydrophobicContact CG-CG 4.23Å; R414-K418 WeakPolarHBondContact O-CB 3.23Å; R414-K418 PolarHBondContact O-N 3.29Å; D415-K418 PolarHBondContact O-N 3.04Å; C416-K418 VanDerWaalsContact C-N 3.32Å; C416-K418 PolarHBondContact O-N 3.32Å; K418-A421 PolarHBondContact O-N 2.88Å; K418-L422 HydrophobicContact CG-CD1 4.43Å; K418-L422 WeakPolarHBondContact O-CG 3.28Å; K418-L422 PolarHBondContact O-N 3.26Å; K418-L422 VanDerWaalsContact O-N 3.17Å
419	A	94.7	Very high	93.8	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-61.4	-42.8	175.8	0	0	0	0	0	111.9	A390 D415 C416 L422 N423 A429	A390-A419 HydrophobicContact CB-CB 4.45Å; A390-A419 WeakPolarHBondContact CB-O 3.14Å; A390-A419 WeakPolarHBondContact O-CB 3.39Å; D415-A419 VanDerWaalsContact O-CB 3.32Å; D415-A419 WeakPolarHBondContact O-CB 3.47Å; D415-A419 PolarHBondContact O-N 3.2Å; C416-A419 PolarHBondContact O-N 3.14Å; A419-L422 PolarHBondContact O-N 2.76Å; A419-N423 PolarHBondContact O-N 3.47Å; A419-A429 HydrophobicContact CB-CB 3.87Å
420	L	91.8	Very high	93.7	Very high	5 Å²	5	34 Å²	34	3%	0.026	19%	0.192	C	C	.	.	H	α-helix	trans	-70.3	-33.6	177.8	-69.3	169	0	0	0	112.9	F340 C416 V417 L422 N423 P424 H426 A429 H430 L433	F340-L420 HydrophobicContact CE1-CB 4.42Å; C416-L420 VanDerWaalsContact O-CG 3.3Å; C416-L420 WeakPolarHBondContact O-CG 3.34Å; C416-L420 PolarHBondContact O-N 3.03Å; V417-L420 PolarHBondContact O-N 3.45Å; L420-L422 PolarHBondContact O-N 3.4Å; L420-N423 CarbonylContact O-C 3.3Å; L420-N423 VanDerWaalsContact O-C 3.24Å; L420-N423 PolarHBondContact O-N 2.97Å; L420-P424 WeakPolarHBondContact O-CA 3.44Å; L420-P424 WeakPolarHBondContact O-CD 3.23Å; L420-P424 VanDerWaalsContact O-N 3.1Å; L420-H426 HydrophobicContact CD2-CB 4.34Å; L420-A429 HydrophobicContact CD2-CB 4.31Å; L420-A429 HydrophobicContact CG-CB 4.24Å; L420-H430 HydrophobicContact CD2-CB 4.01Å; L420-L433 HydrophobicContact CD1-CD2 3.78Å
421	A	91	Very high	93.6	Very high	64 Å²	64	35.8 Å²	35.8	53%	0.529	20%	0.199	S	C	.	.	H	α-helix	trans	-64.6	-30.7	172.5	0	0	0	0	0	112.5	V417 K418	V417-A421 WeakPolarHBondContact O-CB 3.27Å; V417-A421 PolarHBondContact O-N 3.08Å; K418-A421 PolarHBondContact O-N 2.88Å
422	L	92.1	Very high	93.6	Very high	67 Å²	67	37.3 Å²	37.3	35%	0.351	20%	0.204	S	C	.	.	H	α-helix	trans	-85.6	-36.6	176.6	-67.9	170	0	0	0	112.5	A390 Y393 K418 A419 L420	A390-L422 HydrophobicContact CB-CB 3.82Å; Y393-L422 HydrophobicContact CD2-CD1 3.88Å; Y393-L422 HydrophobicContact CE2-CD1 3.78Å; K418-L422 HydrophobicContact CG-CD1 4.43Å; K418-L422 WeakPolarHBondContact O-CG 3.28Å; K418-L422 PolarHBondContact O-N 3.26Å; K418-L422 VanDerWaalsContact O-N 3.17Å; A419-L422 PolarHBondContact O-N 2.76Å; L420-L422 PolarHBondContact O-N 3.4Å
423	N	92.1	Very high	93.5	Very high	74 Å²	74	38.4 Å²	38.4	40%	0.396	21%	0.21	S	C	.	.			trans	-142.2	96.1	177.2	178.4	4.1	0	0	0	110.1	A390 A419 L420 G425 H426	A390-N423 HydrophobicContact CB-CB 3.75Å; A419-N423 PolarHBondContact O-N 3.47Å; L420-N423 CarbonylContact O-C 3.3Å; L420-N423 VanDerWaalsContact O-C 3.24Å; L420-N423 PolarHBondContact O-N 2.97Å; N423-G425 PolarHBondContact O-N 3.11Å; N423-G425 VanDerWaalsContact O-N 3.15Å; N423-G425 PolarHBondContact OD1-N 2.93Å; N423-G425 VanDerWaalsContact OD1-N 3.08Å; N423-H426 HydrophobicContact CB-CB 4.23Å; N423-H426 VanDerWaalsContact O-CB 3.23Å; N423-H426 WeakPolarHBondContact O-CB 3.3Å; N423-H426 PolarHBondContact O-N 3.25Å
424	P	89.5	Confident	93.4	Very high	63 Å²	63	38.2 Å²	38.2	41%	0.409	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-25	179.9	-26.9	35.7	0	0	0	114.3	F340 L420 H426	F340-P424 HydrophobicContact CD1-CB 4.4Å; F340-P424 HydrophobicContact CD1-CG 4.09Å; L420-P424 WeakPolarHBondContact O-CA 3.44Å; L420-P424 WeakPolarHBondContact O-CD 3.23Å; L420-P424 VanDerWaalsContact O-N 3.1Å; P424-H426 VanDerWaalsContact C-N 3.28Å; P424-H426 PolarHBondContact O-N 3.03Å
425	G	88.7	Confident	93.4	Very high	45 Å²	45	41.5 Å²	41.5	46%	0.464	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	9.1	177.1	0	0	0	0	0	114.5	N423 L427	N423-G425 PolarHBondContact O-N 3.11Å; N423-G425 VanDerWaalsContact O-N 3.15Å; N423-G425 PolarHBondContact OD1-N 2.93Å; N423-G425 VanDerWaalsContact OD1-N 3.08Å; G425-L427 PolarHBondContact O-N 3.25Å
426	H	92.2	Very high	93.3	Very high	13 Å²	13	41 Å²	41	6%	0.06	22%	0.219	C	C	.	.			trans	-73.3	84.1	-176.1	-167.5	-49.2	0	0	0	112.4	L420 N423 P424 K428 A429 H430	L420-H426 HydrophobicContact CD2-CB 4.34Å; N423-H426 HydrophobicContact CB-CB 4.23Å; N423-H426 VanDerWaalsContact O-CB 3.23Å; N423-H426 WeakPolarHBondContact O-CB 3.3Å; N423-H426 PolarHBondContact O-N 3.25Å; P424-H426 VanDerWaalsContact C-N 3.28Å; P424-H426 PolarHBondContact O-N 3.03Å; H426-K428 PolarHBondContact O-N 2.89Å; H426-K428 VanDerWaalsContact O-N 3.16Å; H426-A429 HydrophobicContact CB-CB 4.16Å; H426-A429 WeakPolarHBondContact ND1-CB 3.42Å; H426-A429 PolarHBondContact ND1-N 2.82Å; H426-A429 VanDerWaalsContact ND1-N 3.18Å; H426-A429 PolarHBondContact O-N 2.91Å; H426-H430 PolarHBondContact O-N 2.84Å; H426-H430 VanDerWaalsContact O-N 3.16Å
427	L	92.9	Very high	93.1	Very high	58 Å²	58	41.3 Å²	41.3	30%	0.304	22%	0.22	S	C	.	.	H	α-helix	trans	-42.6	-53.5	-176.6	-176.2	139.1	0	0	0	114.7	G425 A429 H430 F431 F453 F457 Q460	G425-L427 PolarHBondContact O-N 3.25Å; L427-A429 VanDerWaalsContact C-N 3.34Å; L427-A429 PolarHBondContact O-N 2.79Å; L427-H430 PolarHBondContact O-N 2.98Å; L427-F431 PolarHBondContact O-N 2.82Å; L427-F453 HydrophobicContact CG-CE2 4.15Å; L427-F453 HydrophobicContact CG-CZ 4.45Å; L427-F457 HydrophobicContact CB-CD1 4.41Å; L427-F457 HydrophobicContact CB-CE1 4.11Å; L427-F457 HydrophobicContact CB-CZ 4.2Å; L427-F457 HydrophobicContact CD1-CB 4.14Å; L427-F457 HydrophobicContact CD1-CD1 3.69Å; L427-F457 HydrophobicContact CD1-CE1 4.22Å; L427-F457 HydrophobicContact CD1-CG 3.89Å; L427-F457 HydrophobicContact CG-CD1 4.33Å; L427-F457 HydrophobicContact CG-CG 4.35Å; L427-Q460 HydrophobicContact CD1-CB 4.47Å; L427-Q460 HydrophobicContact CD1-CG 3.85Å
428	K	94.5	Very high	93.1	Very high	124 Å²	124	41 Å²	41	54%	0.539	22%	0.216	S	C	.	.	H	α-helix	trans	-67.3	-30.6	-176.9	-62.7	-180	-179	175.1	0	113.6	H426 R432	H426-K428 PolarHBondContact O-N 2.89Å; H426-K428 VanDerWaalsContact O-N 3.16Å; K428-R432 WeakPolarHBondContact O-CB 3.4Å; K428-R432 VanDerWaalsContact O-CD 3.27Å; K428-R432 WeakPolarHBondContact O-CD 3.24Å; K428-R432 WeakPolarHBondContact O-CG 3.08Å; K428-R432 PolarHBondContact O-N 2.68Å
429	A	94	Very high	93	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-75.7	-38.1	-179.3	0	0	0	0	0	109.9	A419 L420 H426 L427 R432 L433	A419-A429 HydrophobicContact CB-CB 3.87Å; L420-A429 HydrophobicContact CD2-CB 4.31Å; L420-A429 HydrophobicContact CG-CB 4.24Å; H426-A429 HydrophobicContact CB-CB 4.16Å; H426-A429 WeakPolarHBondContact ND1-CB 3.42Å; H426-A429 PolarHBondContact ND1-N 2.82Å; H426-A429 VanDerWaalsContact ND1-N 3.18Å; H426-A429 PolarHBondContact O-N 2.91Å; L427-A429 VanDerWaalsContact C-N 3.34Å; L427-A429 PolarHBondContact O-N 2.79Å; A429-R432 PolarHBondContact O-N 3.41Å; A429-L433 WeakPolarHBondContact O-CB 3.43Å; A429-L433 PolarHBondContact O-N 3.04Å
430	H	93.5	Very high	92.7	Very high	10 Å²	10	40.5 Å²	40.5	5%	0.046	22%	0.215	C	C	.	.	H	α-helix	trans	-61.6	-49.7	175.7	-152.7	-94.3	0	0	0	112.4	L420 H426 L427 R432 L433 A434 D452 F453 F457	L420-H430 HydrophobicContact CD2-CB 4.01Å; H426-H430 PolarHBondContact O-N 2.84Å; H426-H430 VanDerWaalsContact O-N 3.16Å; L427-H430 PolarHBondContact O-N 2.98Å; H430-R432 VanDerWaalsContact C-N 3.34Å; H430-R432 PolarHBondContact O-N 3.12Å; H430-L433 WeakPolarHBondContact O-CB 3.23Å; H430-L433 PolarHBondContact O-N 2.9Å; H430-A434 PolarHBondContact O-N 2.87Å; H430-D452 IonicContact CE1-OD2 3.48Å; H430-D452 PolarHBondContact CE1-OD2 2.79Å; H430-D452 IonicContact NE2-OD2 3.87Å; H430-D452 PolarHBondContact NE2-OD2 3.19Å; H430-F453 HydrophobicContact CB-CD2 3.92Å; H430-F453 HydrophobicContact CB-CE2 4.5Å; H430-F453 PolarHBondContact CE1-N 2.83Å; H430-F453 WeakPolarHBondContact ND1-CA 3.43Å; H430-F453 VanDerWaalsContact ND1-CB 3.33Å; H430-F453 WeakPolarHBondContact ND1-CB 3.43Å; H430-F453 AromaticContact ND1-CD2 3.55Å; H430-F453 AromaticContact ND1-CG 3.92Å; H430-F457 HydrophobicContact CB-CE2 4.19Å
431	F	95.2	Very high	92.6	Very high	37 Å²	37	46.1 Å²	46.1	16%	0.162	24%	0.24	C	C	.	.	H	α-helix	trans	-62.3	-40.9	176.4	-178.3	-105.1	0	0	0	112.8	L427 L433 A434 R435 L450 F453 A465 C466 L469	L427-F431 PolarHBondContact O-N 2.82Å; F431-L433 VanDerWaalsContact C-N 3.3Å; F431-L433 PolarHBondContact O-N 3.04Å; F431-A434 PolarHBondContact O-N 3.05Å; F431-R435 PolarHBondContact O-N 2.97Å; F431-L450 HydrophobicContact CD2-CD1 4.27Å; F431-L450 HydrophobicContact CE2-CD1 4.21Å; F431-F453 HydrophobicContact CB-CD2 4.17Å; F431-F453 HydrophobicContact CB-CE2 3.76Å; F431-F453 HydrophobicContact CB-CZ 3.97Å; F431-F453 HydrophobicContact CD2-CD1 4.28Å; F431-F453 HydrophobicContact CD2-CE1 4.01Å; F431-F453 HydrophobicContact CD2-CZ 4.21Å; F431-F453 HydrophobicContact CG-CZ 4.44Å; F431-A465 HydrophobicContact CE1-CB 4.34Å; F431-A465 HydrophobicContact CZ-CB 3.98Å; F431-C466 HydrophobicContact CE2-CB 4.29Å; F431-L469 HydrophobicContact CE2-CD2 3.83Å; F431-L469 HydrophobicContact CZ-CB 4.45Å; F431-L469 HydrophobicContact CZ-CD2 4.01Å
432	R	96.2	Very high	92.3	Very high	43 Å²	43	43.8 Å²	43.8	16%	0.162	22%	0.217	C	C	.	.	H	α-helix	trans	-65.8	-33	176.9	-73.7	170.1	-170	144.1	-3.4	112.4	G394 M401 C416 K428 A429 H430 R435 C436	G394-R432 PolarHBondContact O-NH1 3.19Å; M401-R432 HydrophobicContact CE-CB 4.39Å; M401-R432 HydrophobicContact CE-CG 4.3Å; M401-R432 HydrophobicContact SD-CB 3.88Å; M401-R432 HydrophobicContact SD-CG 3.75Å; C416-R432 VanDerWaalsContact SG-CB 3.55Å; K428-R432 WeakPolarHBondContact O-CB 3.4Å; K428-R432 VanDerWaalsContact O-CD 3.27Å; K428-R432 WeakPolarHBondContact O-CD 3.24Å; K428-R432 WeakPolarHBondContact O-CG 3.08Å; K428-R432 PolarHBondContact O-N 2.68Å; A429-R432 PolarHBondContact O-N 3.41Å; H430-R432 VanDerWaalsContact C-N 3.34Å; H430-R432 PolarHBondContact O-N 3.12Å; R432-R435 PolarHBondContact O-N 2.99Å; R432-C436 WeakPolarHBondContact O-CB 3.27Å; R432-C436 PolarHBondContact O-N 3.39Å; R432-C436 PolarHBondContact O-SG 3.36Å
433	L	94.6	Very high	92.2	Very high	23 Å²	23	41 Å²	41	12%	0.12	20%	0.203	C	C	.	.	H	α-helix	trans	-58.9	-52.4	175.3	-175.8	70.1	0	0	0	110.7	L413 C416 V417 L420 A429 H430 F431 R435 C436 L437	L413-L433 HydrophobicContact CD1-CD1 3.51Å; L413-L433 HydrophobicContact CD1-CG 4.45Å; L413-L433 HydrophobicContact CG-CD1 3.96Å; C416-L433 HydrophobicContact CB-CB 4.06Å; C416-L433 HydrophobicContact CB-CD1 4.06Å; V417-L433 HydrophobicContact CG2-CD1 3.61Å; L420-L433 HydrophobicContact CD1-CD2 3.78Å; A429-L433 WeakPolarHBondContact O-CB 3.43Å; A429-L433 PolarHBondContact O-N 3.04Å; H430-L433 WeakPolarHBondContact O-CB 3.23Å; H430-L433 PolarHBondContact O-N 2.9Å; F431-L433 VanDerWaalsContact C-N 3.3Å; F431-L433 PolarHBondContact O-N 3.04Å; L433-R435 VanDerWaalsContact C-N 3.3Å; L433-R435 PolarHBondContact O-N 2.89Å; L433-C436 PolarHBondContact O-N 3.33Å; L433-C436 VanDerWaalsContact O-N 3.15Å; L433-L437 HydrophobicContact CG-CD1 4.41Å; L433-L437 WeakPolarHBondContact O-CG 3.43Å; L433-L437 PolarHBondContact O-N 3.5Å
434	A	93.6	Very high	91.9	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-56.5	-44.3	176.8	0	0	0	0	0	111.8	H430 F431 L437 F438 C449 L450 L469	H430-A434 PolarHBondContact O-N 2.87Å; F431-A434 PolarHBondContact O-N 3.05Å; A434-L437 PolarHBondContact O-N 3.48Å; A434-F438 PolarHBondContact O-N 3.02Å; A434-F438 VanDerWaalsContact O-N 3.09Å; A434-C449 HydrophobicContact CB-CB 4.08Å; A434-L450 HydrophobicContact CB-CB 4.2Å; A434-L450 HydrophobicContact CB-CD1 4.38Å; A434-L469 HydrophobicContact CB-CD2 4.27Å
435	R	95.6	Very high	91.8	Very high	106 Å²	106	38.5 Å²	38.5	40%	0.4	19%	0.192	S	C	.	.	H	α-helix	trans	-63.8	-42.4	176.8	-175.4	167.5	176.7	168.3	9.7	112.8	M401 F431 R432 L433 F438 E439 L469	M401-R435 HydrophobicContact CE-CB 3.93Å; M401-R435 HydrophobicContact CE-CG 3.68Å; F431-R435 PolarHBondContact O-N 2.97Å; R432-R435 PolarHBondContact O-N 2.99Å; L433-R435 VanDerWaalsContact C-N 3.3Å; L433-R435 PolarHBondContact O-N 2.89Å; R435-F438 PolarHBondContact O-N 2.96Å; R435-E439 HydrophobicContact CG-CG 4.44Å; R435-E439 VanDerWaalsContact O-CG 3.3Å; R435-E439 WeakPolarHBondContact O-CG 3.4Å; R435-E439 PolarHBondContact O-N 3.27Å; R435-L469 HydrophobicContact CB-CD2 4.08Å
436	C	94.9	Very high	91.9	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-64.8	-40.1	178.1	-67.2	0	0	0	0	111.5	L413 R432 L433 F438 E439 L440	L413-C436 HydrophobicContact CB-CB 4.01Å; L413-C436 HydrophobicContact CD1-CB 3.79Å; R432-C436 WeakPolarHBondContact O-CB 3.27Å; R432-C436 PolarHBondContact O-N 3.39Å; R432-C436 PolarHBondContact O-SG 3.36Å; L433-C436 PolarHBondContact O-N 3.33Å; L433-C436 VanDerWaalsContact O-N 3.15Å; C436-F438 VanDerWaalsContact C-N 3.33Å; C436-F438 PolarHBondContact O-N 3.42Å; C436-E439 PolarHBondContact O-N 2.73Å; C436-L440 VanDerWaalsContact O-CB 3.3Å; C436-L440 WeakPolarHBondContact O-CB 3.41Å; C436-L440 WeakPolarHBondContact O-CD1 3.49Å; C436-L440 WeakPolarHBondContact O-CG 3.4Å; C436-L440 PolarHBondContact O-N 2.79Å
437	L	92	Very high	91.9	Very high	5 Å²	5	37.5 Å²	37.5	3%	0.026	18%	0.176	C	C	.	.	H	α-helix	trans	-58.7	-44.9	174.2	-71	169.2	0	0	0	111.4	L308 L413 L433 A434 L440 K441 Y442 E445 A446 C449	L308-L437 HydrophobicContact CD1-CD2 3.65Å; L413-L437 HydrophobicContact CD1-CD2 3.61Å; L413-L437 HydrophobicContact CD1-CG 3.64Å; L433-L437 HydrophobicContact CG-CD1 4.41Å; L433-L437 WeakPolarHBondContact O-CG 3.43Å; L433-L437 PolarHBondContact O-N 3.5Å; A434-L437 PolarHBondContact O-N 3.48Å; L437-L440 CarbonylContact O-C 3.57Å; L437-L440 PolarHBondContact O-N 2.76Å; L437-K441 PolarHBondContact O-N 3.46Å; L437-Y442 PolarHBondContact O-N 3.05Å; L437-E445 HydrophobicContact CD1-CB 4.22Å; L437-E445 HydrophobicContact CD2-CB 4.44Å; L437-A446 HydrophobicContact CB-CB 3.78Å; L437-C449 HydrophobicContact CD1-CB 3.92Å
438	F	92.4	Very high	91.7	Very high	34 Å²	34	39.3 Å²	39.3	15%	0.149	18%	0.183	C	C	.	.	H	α-helix	trans	-61.7	-48.1	177.1	176.4	-109.9	0	0	0	112.6	A434 R435 C436 L440 K441 A446 L469 D472 I473 A476	A434-F438 PolarHBondContact O-N 3.02Å; A434-F438 VanDerWaalsContact O-N 3.09Å; R435-F438 PolarHBondContact O-N 2.96Å; C436-F438 VanDerWaalsContact C-N 3.33Å; C436-F438 PolarHBondContact O-N 3.42Å; F438-L440 PolarHBondContact O-N 2.67Å; F438-K441 WeakPolarHBondContact O-CA 3.5Å; F438-K441 PolarHBondContact O-N 2.85Å; F438-A446 HydrophobicContact CB-CB 3.9Å; F438-L469 HydrophobicContact CB-CD1 4.26Å; F438-L469 HydrophobicContact CD1-CD1 4.03Å; F438-L469 HydrophobicContact CG-CD1 4.22Å; F438-D472 HydrophobicContact CE1-CB 4.11Å; F438-D472 HydrophobicContact CE2-CB 4.5Å; F438-D472 HydrophobicContact CZ-CB 3.81Å; F438-I473 HydrophobicContact CB-CG1 4.2Å; F438-I473 HydrophobicContact CD2-CB 4.38Å; F438-I473 HydrophobicContact CD2-CG1 3.53Å; F438-I473 HydrophobicContact CE2-CG1 4.08Å; F438-I473 HydrophobicContact CG-CG1 3.96Å; F438-A476 HydrophobicContact CE2-CB 3.86Å
439	E	91.8	Very high	91.5	Very high	70 Å²	70	34.2 Å²	34.2	33%	0.327	16%	0.162	S	C	.	.	H	α-helix	trans	-62.5	-33.6	178.1	-65.8	-73.8	-176.6	0	0	112	H409 R435 C436 K441	H409-E439 HydrophobicContact CB-CB 4.48Å; R435-E439 HydrophobicContact CG-CG 4.44Å; R435-E439 VanDerWaalsContact O-CG 3.3Å; R435-E439 WeakPolarHBondContact O-CG 3.4Å; R435-E439 PolarHBondContact O-N 3.27Å; C436-E439 PolarHBondContact O-N 2.73Å; E439-K441 PolarHBondContact O-N 3.17Å
440	L	89	Confident	91.4	Very high	10 Å²	10	34.2 Å²	34.2	5%	0.052	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	5.5	174.4	-68.2	169.4	0	0	0	113.7	H254 H409 Y410 L413 C436 L437 F438 Y442	H254-L440 HydrophobicContact CB-CD2 4.24Å; H409-L440 HydrophobicContact CB-CD2 4.12Å; H409-L440 HydrophobicContact CB-CG 4.15Å; Y410-L440 HydrophobicContact CD2-CD1 3.99Å; L413-L440 HydrophobicContact CB-CD1 4.3Å; L413-L440 HydrophobicContact CD1-CD1 4.46Å; L413-L440 HydrophobicContact CD2-CD1 4.16Å; C436-L440 VanDerWaalsContact O-CB 3.3Å; C436-L440 WeakPolarHBondContact O-CB 3.41Å; C436-L440 WeakPolarHBondContact O-CD1 3.49Å; C436-L440 WeakPolarHBondContact O-CG 3.4Å; C436-L440 PolarHBondContact O-N 2.79Å; L437-L440 CarbonylContact O-C 3.57Å; L437-L440 PolarHBondContact O-N 2.76Å; F438-L440 PolarHBondContact O-N 2.67Å; L440-Y442 VanDerWaalsContact C-N 3.3Å; L440-Y442 HydrophobicContact CB-CD2 3.59Å; L440-Y442 HydrophobicContact CB-CE2 3.82Å; L440-Y442 WeakPolarHBondContact O-CD2 3.36Å; L440-Y442 WeakPolarHBondContact O-CE2 3.4Å; L440-Y442 PolarHBondContact O-N 3.41Å
441	K	88.1	Confident	91.3	Very high	123 Å²	123	37.5 Å²	37.5	54%	0.535	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.8	17	178.4	-48.6	-58.8	-178.1	-173.7	0	115.8	L437 F438 E439 V443	L437-K441 PolarHBondContact O-N 3.46Å; F438-K441 WeakPolarHBondContact O-CA 3.5Å; F438-K441 PolarHBondContact O-N 2.85Å; E439-K441 PolarHBondContact O-N 3.17Å; K441-V443 VanDerWaalsContact C-N 3.27Å; K441-V443 PolarHBondContact O-N 2.81Å; K441-V443 VanDerWaalsContact O-N 3.14Å
442	Y	86	Confident	91.1	Very high	14 Å²	14	39 Å²	39	6%	0.055	19%	0.191	C	C	.	.			trans	-85.5	68.8	168.9	-63.7	-80.5	0	0	0	110	V257 T305 L437 L440 E445 A446	V257-Y442 HydrophobicContact CG2-CE1 4.29Å; V257-Y442 WeakPolarHBondContact CG2-OH 3.44Å; T305-Y442 WeakPolarHBondContact CB-OH 3.03Å; T305-Y442 HydrophobicContact CG2-CE1 4.32Å; T305-Y442 HydrophobicContact CG2-CE2 3.54Å; T305-Y442 WeakPolarHBondContact CG2-OH 2.94Å; L437-Y442 PolarHBondContact O-N 3.05Å; L440-Y442 VanDerWaalsContact C-N 3.3Å; L440-Y442 HydrophobicContact CB-CD2 3.59Å; L440-Y442 HydrophobicContact CB-CE2 3.82Å; L440-Y442 WeakPolarHBondContact O-CD2 3.36Å; L440-Y442 WeakPolarHBondContact O-CE2 3.4Å; L440-Y442 PolarHBondContact O-N 3.41Å; Y442-E445 VanDerWaalsContact C-OE2 3.26Å; Y442-E445 WeakPolarHBondContact CA-OE2 3.23Å; Y442-E445 WeakPolarHBondContact CB-OE2 3.46Å; Y442-A446 WeakPolarHBondContact O-CB 3.43Å; Y442-A446 PolarHBondContact O-N 3.14Å
443	V	88.9	Confident	90.8	Very high	8 Å²	8	37.2 Å²	37.2	5%	0.048	18%	0.184	C	C	.	.	H	α-helix	trans	-69	-38.6	-167.3	-170.2	0	0	0	0	112.3	K441 A446 L447 I473 A476 L477	K441-V443 VanDerWaalsContact C-N 3.27Å; K441-V443 PolarHBondContact O-N 2.81Å; K441-V443 VanDerWaalsContact O-N 3.14Å; V443-A446 PolarHBondContact O-N 3.22Å; V443-L447 PolarHBondContact O-N 3.22Å; V443-L447 VanDerWaalsContact O-N 3.11Å; V443-I473 HydrophobicContact CG1-CG2 3.93Å; V443-A476 HydrophobicContact CG1-CB 3.92Å; V443-A476 HydrophobicContact CG2-CB 4.28Å; V443-L477 HydrophobicContact CB-CD2 4.08Å; V443-L477 HydrophobicContact CG1-CD1 4.42Å; V443-L477 HydrophobicContact CG1-CD2 3.64Å; V443-L477 HydrophobicContact CG1-CG 3.57Å
444	A	87.1	Confident	90.7	Very high	49 Å²	49	38.2 Å²	38.2	41%	0.405	19%	0.187	S	C	.	.	H	α-helix	trans	-67.6	-46.5	179.6	0	0	0	0	0	110.7	A446 L447 E448	A444-A446 VanDerWaalsContact C-N 3.3Å; A444-A446 PolarHBondContact O-N 3.24Å; A444-L447 WeakPolarHBondContact O-CB 3.17Å; A444-L447 PolarHBondContact O-N 2.59Å; A444-L447 VanDerWaalsContact O-N 3.14Å; A444-E448 PolarHBondContact O-N 2.83Å
445	E	86.5	Confident	90.5	Very high	37 Å²	37	41 Å²	41	17%	0.173	22%	0.216	C	C	.	.	H	α-helix	trans	-65.2	-34.7	177.5	-58.5	84.5	163.5	0	0	111.9	L308 L437 Y442 L447 C449	L308-E445 HydrophobicContact CB-CG 3.87Å; L308-E445 HydrophobicContact CD1-CB 4.49Å; L308-E445 HydrophobicContact CD1-CG 4.23Å; L308-E445 HydrophobicContact CG-CG 4.41Å; L437-E445 HydrophobicContact CD1-CB 4.22Å; L437-E445 HydrophobicContact CD2-CB 4.44Å; Y442-E445 VanDerWaalsContact C-OE2 3.26Å; Y442-E445 WeakPolarHBondContact CA-OE2 3.23Å; Y442-E445 WeakPolarHBondContact CB-OE2 3.46Å; E445-L447 VanDerWaalsContact C-N 3.34Å; E445-C449 WeakPolarHBondContact O-CB 3.37Å; E445-C449 PolarHBondContact O-N 2.83Å
446	A	90.9	Very high	90.2	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-63.5	-40.6	173.5	0	0	0	0	0	111.7	L437 F438 Y442 V443 A444 L450 I473	L437-A446 HydrophobicContact CB-CB 3.78Å; F438-A446 HydrophobicContact CB-CB 3.9Å; Y442-A446 WeakPolarHBondContact O-CB 3.43Å; Y442-A446 PolarHBondContact O-N 3.14Å; V443-A446 PolarHBondContact O-N 3.22Å; A444-A446 VanDerWaalsContact C-N 3.3Å; A444-A446 PolarHBondContact O-N 3.24Å; A446-L450 VanDerWaalsContact O-CB 3.31Å; A446-L450 WeakPolarHBondContact O-CB 3.31Å; A446-L450 PolarHBondContact O-N 3.05Å; A446-I473 HydrophobicContact CB-CD1 3.85Å; A446-I473 HydrophobicContact CB-CG1 4.27Å
447	L	91.1	Very high	90.1	Very high	37 Å²	37	42 Å²	42	19%	0.194	22%	0.223	C	C	.	.	H	α-helix	trans	-64.4	-50.6	176.2	-174.6	61.1	0	0	0	110.9	V443 A444 E445 C449 L450 D451 I473 L477	V443-L447 PolarHBondContact O-N 3.22Å; V443-L447 VanDerWaalsContact O-N 3.11Å; A444-L447 WeakPolarHBondContact O-CB 3.17Å; A444-L447 PolarHBondContact O-N 2.59Å; A444-L447 VanDerWaalsContact O-N 3.14Å; E445-L447 VanDerWaalsContact C-N 3.34Å; L447-C449 VanDerWaalsContact C-N 3.31Å; L447-C449 PolarHBondContact O-N 2.9Å; L447-L450 PolarHBondContact O-N 2.72Å; L447-D451 PolarHBondContact O-N 2.94Å; L447-I473 HydrophobicContact CB-CG2 3.71Å; L447-I473 HydrophobicContact CD1-CG2 4.01Å; L447-I473 HydrophobicContact CG-CG2 4.37Å; L447-L477 HydrophobicContact CD2-CD1 3.66Å
448	E	89.8	Confident	90	Very high	96 Å²	96	46 Å²	46	45%	0.449	25%	0.249	S	C	.	.	H	α-helix	trans	-57.3	-44.6	178.2	-69.9	-179.1	-170	0	0	111.8	C312 A444 L450 D451 D452	C312-E448 PolarHBondContact SG-OE2 3.26Å; A444-E448 PolarHBondContact O-N 2.83Å; E448-L450 VanDerWaalsContact C-N 3.31Å; E448-L450 PolarHBondContact O-N 2.86Å; E448-D451 PolarHBondContact O-N 3.08Å; E448-D452 PolarHBondContact O-N 2.91Å
449	C	90.9	Very high	89.9	Confident	16 Å²	16	52.6 Å²	52.6	11%	0.108	28%	0.281	C	S	.	.	H	α-helix	trans	-64.5	-35.5	177.2	-176.1	0	0	0	0	112.4	A434 L437 E445 L447 F453	A434-C449 HydrophobicContact CB-CB 4.08Å; L437-C449 HydrophobicContact CD1-CB 3.92Å; E445-C449 WeakPolarHBondContact O-CB 3.37Å; E445-C449 PolarHBondContact O-N 2.83Å; L447-C449 VanDerWaalsContact C-N 3.31Å; L447-C449 PolarHBondContact O-N 2.9Å; C449-F453 WeakPolarHBondContact O-CB 3.39Å; C449-F453 PolarHBondContact O-N 2.82Å
450	L	91.9	Very high	89.8	Confident	0 Å²	0	52 Å²	52	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-73	-36.2	177	-170.7	62.4	0	0	0	112.2	F431 A434 A446 L447 E448 F453 K454 L469 D470 I473	F431-L450 HydrophobicContact CD2-CD1 4.27Å; F431-L450 HydrophobicContact CE2-CD1 4.21Å; A434-L450 HydrophobicContact CB-CB 4.2Å; A434-L450 HydrophobicContact CB-CD1 4.38Å; A446-L450 VanDerWaalsContact O-CB 3.31Å; A446-L450 WeakPolarHBondContact O-CB 3.31Å; A446-L450 PolarHBondContact O-N 3.05Å; L447-L450 PolarHBondContact O-N 2.72Å; E448-L450 VanDerWaalsContact C-N 3.31Å; E448-L450 PolarHBondContact O-N 2.86Å; L450-F453 HydrophobicContact CD1-CD1 4.25Å; L450-F453 VanDerWaalsContact O-CB 3.32Å; L450-F453 WeakPolarHBondContact O-CB 3.41Å; L450-F453 PolarHBondContact O-N 3.36Å; L450-K454 WeakPolarHBondContact O-CG 3.47Å; L450-K454 PolarHBondContact O-N 2.98Å; L450-L469 HydrophobicContact CD1-CD2 4.13Å; L450-L469 HydrophobicContact CD2-CB 4.41Å; L450-L469 HydrophobicContact CD2-CD2 4.39Å; L450-L469 HydrophobicContact CD2-CG 4.17Å; L450-D470 HydrophobicContact CD2-CB 3.77Å; L450-I473 HydrophobicContact CD2-CD1 3.92Å
451	D	90.6	Very high	89.6	Confident	80 Å²	80	52 Å²	52	43%	0.428	28%	0.279	S	S	.	.	H	α-helix	trans	-68.6	-42.3	175.4	-72.5	-24.4	0	0	0	111.2	L447 E448 F453 K454 G455	L447-D451 PolarHBondContact O-N 2.94Å; E448-D451 PolarHBondContact O-N 3.08Å; D451-F453 VanDerWaalsContact C-N 3.28Å; D451-F453 PolarHBondContact O-N 2.67Å; D451-K454 PolarHBondContact O-N 2.78Å; D451-G455 PolarHBondContact O-N 3.01Å
452	D	90.2	Very high	89.5	Confident	69 Å²	69	53.6 Å²	53.6	37%	0.369	29%	0.288	S	S	.	.	H	α-helix	trans	-61.2	-37.3	171	-179.2	67.3	0	0	0	111.6	H430 E448 G455 K456	H430-D452 IonicContact CE1-OD2 3.48Å; H430-D452 PolarHBondContact CE1-OD2 2.79Å; H430-D452 IonicContact NE2-OD2 3.87Å; H430-D452 PolarHBondContact NE2-OD2 3.19Å; E448-D452 PolarHBondContact O-N 2.91Å; D452-G455 PolarHBondContact O-N 2.95Å; D452-K456 WeakPolarHBondContact O-CB 3.46Å; D452-K456 WeakPolarHBondContact O-CG 3.39Å; D452-K456 PolarHBondContact O-N 3.13Å; D452-K456 VanDerWaalsContact OD1-CE 3.3Å; D452-K456 WeakPolarHBondContact OD1-CE 3.48Å; D452-K456 IonicContact OD1-NZ 2.81Å; D452-K456 PolarHBondContact OD1-NZ 3.05Å; D452-K456 WeakPolarHBondContact OD2-CE 3.45Å; D452-K456 IonicContact OD2-NZ 3.84Å; D452-K456 PolarHBondContact OD2-NZ 3.05Å
453	F	91.4	Very high	89.9	Confident	4 Å²	4	55 Å²	55	2%	0.018	30%	0.3	C	S	.	.	H	α-helix	trans	-60.3	-48.7	172.7	175.8	-99.5	0	0	0	112	L427 H430 F431 C449 L450 D451 G455 K456 F457 Q460	L427-F453 HydrophobicContact CG-CE2 4.15Å; L427-F453 HydrophobicContact CG-CZ 4.45Å; H430-F453 HydrophobicContact CB-CD2 3.92Å; H430-F453 HydrophobicContact CB-CE2 4.5Å; H430-F453 PolarHBondContact CE1-N 2.83Å; H430-F453 WeakPolarHBondContact ND1-CA 3.43Å; H430-F453 VanDerWaalsContact ND1-CB 3.33Å; H430-F453 WeakPolarHBondContact ND1-CB 3.43Å; H430-F453 AromaticContact ND1-CD2 3.55Å; H430-F453 AromaticContact ND1-CG 3.92Å; F431-F453 HydrophobicContact CB-CD2 4.17Å; F431-F453 HydrophobicContact CB-CE2 3.76Å; F431-F453 HydrophobicContact CB-CZ 3.97Å; F431-F453 HydrophobicContact CD2-CD1 4.28Å; F431-F453 HydrophobicContact CD2-CE1 4.01Å; F431-F453 HydrophobicContact CD2-CZ 4.21Å; F431-F453 HydrophobicContact CG-CZ 4.44Å; C449-F453 WeakPolarHBondContact O-CB 3.39Å; C449-F453 PolarHBondContact O-N 2.82Å; L450-F453 HydrophobicContact CD1-CD1 4.25Å; L450-F453 VanDerWaalsContact O-CB 3.32Å; L450-F453 WeakPolarHBondContact O-CB 3.41Å; L450-F453 PolarHBondContact O-N 3.36Å; D451-F453 VanDerWaalsContact C-N 3.28Å; D451-F453 PolarHBondContact O-N 2.67Å; F453-G455 VanDerWaalsContact C-N 3.31Å; F453-G455 PolarHBondContact O-N 3Å; F453-K456 PolarHBondContact O-N 2.74Å; F453-F457 AromaticContact CD2-CD2 3.5Å; F453-F457 HydrophobicContact CD2-CD2 3.5Å; F453-F457 HydrophobicContact CD2-CE2 4.04Å; F453-F457 HydrophobicContact CE2-CB 4.35Å; F453-F457 AromaticContact CE2-CD2 3.55Å; F453-F457 HydrophobicContact CE2-CD2 3.55Å; F453-F457 HydrophobicContact CE2-CE2 4.18Å; F453-F457 HydrophobicContact CE2-CG 4.22Å; F453-F457 HydrophobicContact CG-CD2 4.32Å; F453-F457 HydrophobicContact CZ-CB 4.4Å; F453-F457 HydrophobicContact CZ-CD2 4.39Å; F453-F457 WeakPolarHBondContact O-CD2 3.4Å; F453-F457 PolarHBondContact O-N 2.66Å; F453-Q460 HydrophobicContact CE1-CB 4.43Å; F453-Q460 HydrophobicContact CZ-CB 4.18Å
454	K	91.8	Very high	90.1	Very high	44 Å²	44	59.7 Å²	59.7	19%	0.191	33%	0.333	C	S	.	.	H	α-helix	trans	-62.7	-39.3	179.4	-71.6	170.1	174.8	175.9	0	111.7	L450 D451 F457 A461 C466 D470	L450-K454 WeakPolarHBondContact O-CG 3.47Å; L450-K454 PolarHBondContact O-N 2.98Å; D451-K454 PolarHBondContact O-N 2.78Å; K454-F457 CarbonylContact O-C 3.53Å; K454-A461 HydrophobicContact CB-CB 3.91Å; K454-A461 HydrophobicContact CG-CB 3.84Å; K454-C466 WeakPolarHBondContact CE-SG 3.36Å; K454-D470 IonicContact NZ-OD1 3.69Å; K454-D470 PolarHBondContact NZ-OD1 2.98Å; K454-D470 IonicContact NZ-OD2 2.76Å
455	G	90	Very high	90.3	Very high	59 Å²	59	59.7 Å²	59.7	61%	0.608	33%	0.333	S	S	*	.	H	α-helix	trans	-64.9	-43.4	176	0	0	0	0	0	113	D451 D452 F453	D451-G455 PolarHBondContact O-N 3.01Å; D452-G455 PolarHBondContact O-N 2.95Å; F453-G455 VanDerWaalsContact C-N 3.31Å; F453-G455 PolarHBondContact O-N 3Å
456	K	89.4	Confident	90.6	Very high	96 Å²	96	58 Å²	58	42%	0.417	33%	0.325	S	S	.	.	H	α-helix	trans	-75.3	-30.2	179.5	-75.4	175.1	-178.9	159.9	0	114	D452 F453	D452-K456 WeakPolarHBondContact O-CB 3.46Å; D452-K456 WeakPolarHBondContact O-CG 3.39Å; D452-K456 PolarHBondContact O-N 3.13Å; D452-K456 VanDerWaalsContact OD1-CE 3.3Å; D452-K456 WeakPolarHBondContact OD1-CE 3.48Å; D452-K456 IonicContact OD1-NZ 2.81Å; D452-K456 PolarHBondContact OD1-NZ 3.05Å; D452-K456 WeakPolarHBondContact OD2-CE 3.45Å; D452-K456 IonicContact OD2-NZ 3.84Å; D452-K456 PolarHBondContact OD2-NZ 3.05Å; F453-K456 PolarHBondContact O-N 2.74Å
457	F	92.5	Very high	90.7	Very high	32 Å²	32	61.5 Å²	61.5	14%	0.14	34%	0.344	C	S	.	.			trans	-130.1	70.1	-174.9	-53.9	-71.6	0	0	0	111.8	L427 H430 F453 K454 E459 Q460 A461	L427-F457 HydrophobicContact CB-CD1 4.41Å; L427-F457 HydrophobicContact CB-CE1 4.11Å; L427-F457 HydrophobicContact CB-CZ 4.2Å; L427-F457 HydrophobicContact CD1-CB 4.14Å; L427-F457 HydrophobicContact CD1-CD1 3.69Å; L427-F457 HydrophobicContact CD1-CE1 4.22Å; L427-F457 HydrophobicContact CD1-CG 3.89Å; L427-F457 HydrophobicContact CG-CD1 4.33Å; L427-F457 HydrophobicContact CG-CG 4.35Å; H430-F457 HydrophobicContact CB-CE2 4.19Å; F453-F457 AromaticContact CD2-CD2 3.5Å; F453-F457 HydrophobicContact CD2-CD2 3.5Å; F453-F457 HydrophobicContact CD2-CE2 4.04Å; F453-F457 HydrophobicContact CE2-CB 4.35Å; F453-F457 AromaticContact CE2-CD2 3.55Å; F453-F457 HydrophobicContact CE2-CD2 3.55Å; F453-F457 HydrophobicContact CE2-CE2 4.18Å; F453-F457 HydrophobicContact CE2-CG 4.22Å; F453-F457 HydrophobicContact CG-CD2 4.32Å; F453-F457 HydrophobicContact CZ-CB 4.4Å; F453-F457 HydrophobicContact CZ-CD2 4.39Å; F453-F457 WeakPolarHBondContact O-CD2 3.4Å; F453-F457 PolarHBondContact O-N 2.66Å; K454-F457 CarbonylContact O-C 3.53Å; F457-E459 VanDerWaalsContact C-N 3.27Å; F457-E459 PolarHBondContact O-N 3.33Å; F457-Q460 PolarHBondContact O-N 2.96Å; F457-Q460 VanDerWaalsContact O-N 3.09Å; F457-A461 PolarHBondContact O-N 2.77Å
458	P	90.6	Very high	90.9	Very high	87 Å²	87	62 Å²	62	57%	0.565	35%	0.353	S	S	*	.	H	α-helix	trans	-60.6	-32.7	-174.4	-24.9	35.2	0	0	0	114.1	Q460 A461	P458-Q460 PolarHBondContact O-N 2.85Å; P458-A461 WeakPolarHBondContact O-CB 3.49Å; P458-A461 PolarHBondContact O-N 3.48Å
459	E	89.7	Confident	91.2	Very high	173 Å²	173	58 Å²	58	81%	0.808	34%	0.335	S	S	*	.	H	α-helix	trans	-63.8	-26.6	178.8	-65.7	-179.6	174.7	0	0	112.9	F457	F457-E459 VanDerWaalsContact C-N 3.27Å; F457-E459 PolarHBondContact O-N 3.33Å
460	Q	88.6	Confident	91.4	Very high	58 Å²	58	58.1 Å²	58.1	27%	0.271	33%	0.334	S	S	.	.	H	α-helix	trans	-105.3	-3.9	-178.1	-62.7	78.3	17.5	0	0	112.6	L427 F453 F457 P458 H462 S463	L427-Q460 HydrophobicContact CD1-CB 4.47Å; L427-Q460 HydrophobicContact CD1-CG 3.85Å; F453-Q460 HydrophobicContact CE1-CB 4.43Å; F453-Q460 HydrophobicContact CZ-CB 4.18Å; F457-Q460 PolarHBondContact O-N 2.96Å; F457-Q460 VanDerWaalsContact O-N 3.09Å; P458-Q460 PolarHBondContact O-N 2.85Å; Q460-H462 VanDerWaalsContact C-N 3.25Å; Q460-H462 PolarHBondContact O-N 3.04Å; Q460-S463 VanDerWaalsContact O-CB 3.29Å; Q460-S463 WeakPolarHBondContact O-CB 3.41Å; Q460-S463 PolarHBondContact O-N 2.92Å; Q460-S463 VanDerWaalsContact O-N 3.11Å; Q460-S463 PolarHBondContact O-OG 2.85Å
461	A	84.9	Confident	91.5	Very high	9 Å²	9	65.3 Å²	65.3	7%	0.074	37%	0.366	C	S	.	.	H	α-helix	trans	-61.6	-31.8	-179.9	0	0	0	0	0	113.1	K454 F457 P458 C466	K454-A461 HydrophobicContact CB-CB 3.91Å; K454-A461 HydrophobicContact CG-CB 3.84Å; F457-A461 PolarHBondContact O-N 2.77Å; P458-A461 WeakPolarHBondContact O-CB 3.49Å; P458-A461 PolarHBondContact O-N 3.48Å; A461-C466 PolarHBondContact O-SG 3.49Å
462	H	87.4	Confident	91.8	Very high	158 Å²	158	65.4 Å²	65.4	73%	0.731	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.9	21.7	177.4	-57	-57.4	0	0	0	112.8	Q460	Q460-H462 VanDerWaalsContact C-N 3.25Å; Q460-H462 PolarHBondContact O-N 3.04Å
463	S	93.4	Very high	91.9	Very high	43 Å²	43	62.1 Å²	62.1	30%	0.301	35%	0.349	S	S	.	.	S	Bend	trans	-70.5	143.9	171.1	64	0	0	0	0	109.8	Q460 A465 C466 D467	Q460-S463 VanDerWaalsContact O-CB 3.29Å; Q460-S463 WeakPolarHBondContact O-CB 3.41Å; Q460-S463 PolarHBondContact O-N 2.92Å; Q460-S463 VanDerWaalsContact O-N 3.11Å; Q460-S463 PolarHBondContact O-OG 2.85Å; S463-A465 PolarHBondContact O-N 3.36Å; S463-C466 WeakPolarHBondContact O-CA 3.47Å; S463-C466 WeakPolarHBondContact O-CB 3.45Å; S463-C466 PolarHBondContact O-N 3.37Å; S463-C466 VanDerWaalsContact OG-CB 3.32Å; S463-C466 WeakPolarHBondContact OG-CB 3.44Å; S463-C466 PolarHBondContact OG-N 3.15Å; S463-D467 PolarHBondContact O-N 3.45Å
464	S	93.3	Very high	92	Very high	107 Å²	107	66 Å²	66	75%	0.748	37%	0.366	S	S	*	.	H	α-helix	trans	-53.9	-33.9	-179.9	58.9	0	0	0	0	113.4	A468	S464-A468 VanDerWaalsContact O-CB 3.23Å; S464-A468 WeakPolarHBondContact O-CB 3.39Å; S464-A468 PolarHBondContact O-N 2.73Å
465	A	91.6	Very high	92.1	Very high	49 Å²	49	66.6 Å²	66.6	41%	0.405	38%	0.379	S	S	.	.	H	α-helix	trans	-70.1	-36.1	175.9	0	0	0	0	0	113	F431 S463 L469	F431-A465 HydrophobicContact CE1-CB 4.34Å; F431-A465 HydrophobicContact CZ-CB 3.98Å; S463-A465 PolarHBondContact O-N 3.36Å; A465-L469 WeakPolarHBondContact O-CB 3.45Å; A465-L469 PolarHBondContact O-N 2.81Å; A465-L469 VanDerWaalsContact O-N 3.15Å
466	C	93.4	Very high	92.1	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-70.7	-46.1	177.1	-168.2	0	0	0	0	110.9	F431 K454 A461 S463 A468 L469 D470	F431-C466 HydrophobicContact CE2-CB 4.29Å; K454-C466 WeakPolarHBondContact CE-SG 3.36Å; A461-C466 PolarHBondContact O-SG 3.49Å; S463-C466 WeakPolarHBondContact O-CA 3.47Å; S463-C466 WeakPolarHBondContact O-CB 3.45Å; S463-C466 PolarHBondContact O-N 3.37Å; S463-C466 VanDerWaalsContact OG-CB 3.32Å; S463-C466 WeakPolarHBondContact OG-CB 3.44Å; S463-C466 PolarHBondContact OG-N 3.15Å; C466-A468 VanDerWaalsContact C-N 3.35Å; C466-A468 PolarHBondContact O-N 3.3Å; C466-L469 PolarHBondContact O-N 3.39Å; C466-D470 WeakPolarHBondContact O-CB 3.49Å; C466-D470 PolarHBondContact O-N 3.4Å
467	D	93.1	Very high	92.1	Very high	74 Å²	74	62.9 Å²	62.9	40%	0.396	35%	0.353	S	S	.	.	H	α-helix	trans	-64	-39.6	177.9	-67	-31.7	0	0	0	112.1	S463 D470 K471	S463-D467 PolarHBondContact O-N 3.45Å; D467-D470 PolarHBondContact O-N 2.97Å; D467-K471 WeakPolarHBondContact O-CB 3.46Å; D467-K471 PolarHBondContact O-N 3.08Å
468	A	95.2	Very high	91.9	Very high	47 Å²	47	68.9 Å²	68.9	39%	0.388	38%	0.375	S	S	.	.	H	α-helix	trans	-62.2	-47.7	174.9	0	0	0	0	0	111.7	S464 C466 D470 K471 D472	S464-A468 VanDerWaalsContact O-CB 3.23Å; S464-A468 WeakPolarHBondContact O-CB 3.39Å; S464-A468 PolarHBondContact O-N 2.73Å; C466-A468 VanDerWaalsContact C-N 3.35Å; C466-A468 PolarHBondContact O-N 3.3Å; A468-D470 PolarHBondContact O-N 2.67Å; A468-K471 PolarHBondContact O-N 3.02Å; A468-D472 VanDerWaalsContact O-CG 3.23Å; A468-D472 PolarHBondContact O-N 2.94Å
469	L	95.2	Very high	91.4	Very high	12 Å²	12	68.2 Å²	68.2	6%	0.063	37%	0.373	C	S	.	.	H	α-helix	trans	-64.9	-40.6	178.7	-177.6	61.3	0	0	0	111.8	F431 A434 R435 F438 L450 A465 C466 K471 D472 I473	F431-L469 HydrophobicContact CE2-CD2 3.83Å; F431-L469 HydrophobicContact CZ-CB 4.45Å; F431-L469 HydrophobicContact CZ-CD2 4.01Å; A434-L469 HydrophobicContact CB-CD2 4.27Å; R435-L469 HydrophobicContact CB-CD2 4.08Å; F438-L469 HydrophobicContact CB-CD1 4.26Å; F438-L469 HydrophobicContact CD1-CD1 4.03Å; F438-L469 HydrophobicContact CG-CD1 4.22Å; L450-L469 HydrophobicContact CD1-CD2 4.13Å; L450-L469 HydrophobicContact CD2-CB 4.41Å; L450-L469 HydrophobicContact CD2-CD2 4.39Å; L450-L469 HydrophobicContact CD2-CG 4.17Å; A465-L469 WeakPolarHBondContact O-CB 3.45Å; A465-L469 PolarHBondContact O-N 2.81Å; A465-L469 VanDerWaalsContact O-N 3.15Å; C466-L469 PolarHBondContact O-N 3.39Å; L469-K471 VanDerWaalsContact C-N 3.34Å; L469-K471 PolarHBondContact O-N 2.92Å; L469-D472 PolarHBondContact O-N 3.36Å; L469-I473 HydrophobicContact CD1-CD1 4Å; L469-I473 HydrophobicContact CD1-CG1 4.16Å; L469-I473 HydrophobicContact CD2-CD1 4.44Å; L469-I473 HydrophobicContact CG-CD1 3.77Å; L469-I473 HydrophobicContact CG-CG1 4.36Å; L469-I473 WeakPolarHBondContact O-CB 3.43Å; L469-I473 VanDerWaalsContact O-CG1 3.22Å; L469-I473 WeakPolarHBondContact O-CG1 3.32Å; L469-I473 PolarHBondContact O-N 3.41Å
470	D	95.1	Very high	90.4	Very high	19 Å²	19	64.9 Å²	64.9	10%	0.102	36%	0.356	C	S	.	.	H	α-helix	trans	-59.6	-44.8	175.8	-174.2	73.8	0	0	0	111.7	L450 K454 C466 D467 A468 K474	L450-D470 HydrophobicContact CD2-CB 3.77Å; K454-D470 IonicContact NZ-OD1 3.69Å; K454-D470 PolarHBondContact NZ-OD1 2.98Å; K454-D470 IonicContact NZ-OD2 2.76Å; C466-D470 WeakPolarHBondContact O-CB 3.49Å; C466-D470 PolarHBondContact O-N 3.4Å; D467-D470 PolarHBondContact O-N 2.97Å; A468-D470 PolarHBondContact O-N 2.67Å; D470-K474 WeakPolarHBondContact O-CB 3.31Å; D470-K474 VanDerWaalsContact O-CG 3.31Å; D470-K474 WeakPolarHBondContact O-CG 3.48Å; D470-K474 PolarHBondContact O-N 2.93Å; D470-K474 WeakPolarHBondContact OD1-CE 3.18Å; D470-K474 IonicContact OD1-NZ 2.65Å; D470-K474 PolarHBondContact OD1-NZ 3.49Å; D470-K474 WeakPolarHBondContact OD2-CE 3.38Å; D470-K474 IonicContact OD2-NZ 2.88Å; D470-K474 PolarHBondContact OD2-NZ 3.39Å
471	K	95	Very high	88.9	Confident	151 Å²	151	64.5 Å²	64.5	66%	0.657	36%	0.359	S	S	*	.	H	α-helix	trans	-62.2	-46.3	175.8	-176.7	-176.8	176.2	-176.2	0	111.6	D467 A468 L469 K474 A475	D467-K471 WeakPolarHBondContact O-CB 3.46Å; D467-K471 PolarHBondContact O-N 3.08Å; A468-K471 PolarHBondContact O-N 3.02Å; L469-K471 VanDerWaalsContact C-N 3.34Å; L469-K471 PolarHBondContact O-N 2.92Å; K471-K474 PolarHBondContact O-N 2.89Å; K471-A475 WeakPolarHBondContact O-CB 3.43Å; K471-A475 PolarHBondContact O-N 3.14Å
472	D	95.6	Very high	87.3	Confident	83 Å²	83	69.9 Å²	69.9	44%	0.444	39%	0.387	S	S	.	.	H	α-helix	trans	-64	-42.5	-179.5	-70	-16	0	0	0	111.7	F438 A468 L469 A475 A476	F438-D472 HydrophobicContact CE1-CB 4.11Å; F438-D472 HydrophobicContact CE2-CB 4.5Å; F438-D472 HydrophobicContact CZ-CB 3.81Å; A468-D472 VanDerWaalsContact O-CG 3.23Å; A468-D472 PolarHBondContact O-N 2.94Å; L469-D472 PolarHBondContact O-N 3.36Å; D472-A475 PolarHBondContact O-N 2.68Å; D472-A476 WeakPolarHBondContact O-CB 3.18Å; D472-A476 PolarHBondContact O-N 2.98Å
473	I	93.4	Very high	85.5	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-62.5	-49.6	176	-71	168.5	0	0	0	110.5	F438 V443 A446 L447 L450 L469 A475 A476 L477	F438-I473 HydrophobicContact CB-CG1 4.2Å; F438-I473 HydrophobicContact CD2-CB 4.38Å; F438-I473 HydrophobicContact CD2-CG1 3.53Å; F438-I473 HydrophobicContact CE2-CG1 4.08Å; F438-I473 HydrophobicContact CG-CG1 3.96Å; V443-I473 HydrophobicContact CG1-CG2 3.93Å; A446-I473 HydrophobicContact CB-CD1 3.85Å; A446-I473 HydrophobicContact CB-CG1 4.27Å; L447-I473 HydrophobicContact CB-CG2 3.71Å; L447-I473 HydrophobicContact CD1-CG2 4.01Å; L447-I473 HydrophobicContact CG-CG2 4.37Å; L450-I473 HydrophobicContact CD2-CD1 3.92Å; L469-I473 HydrophobicContact CD1-CD1 4Å; L469-I473 HydrophobicContact CD1-CG1 4.16Å; L469-I473 HydrophobicContact CD2-CD1 4.44Å; L469-I473 HydrophobicContact CG-CD1 3.77Å; L469-I473 HydrophobicContact CG-CG1 4.36Å; L469-I473 WeakPolarHBondContact O-CB 3.43Å; L469-I473 VanDerWaalsContact O-CG1 3.22Å; L469-I473 WeakPolarHBondContact O-CG1 3.32Å; L469-I473 PolarHBondContact O-N 3.41Å; I473-A475 PolarHBondContact O-N 2.88Å; I473-A476 PolarHBondContact O-N 2.91Å; I473-L477 HydrophobicContact CG2-CD1 4.28Å; I473-L477 PolarHBondContact O-N 3.42Å
474	K	93.3	Very high	83.1	Confident	84 Å²	84	68.8 Å²	68.8	37%	0.365	39%	0.386	S	S	.	.	H	α-helix	trans	-60.9	-44.9	178.9	-75.5	172.4	179.4	167.4	0	111.4	D470 K471 A476 L477 Y478	D470-K474 WeakPolarHBondContact O-CB 3.31Å; D470-K474 VanDerWaalsContact O-CG 3.31Å; D470-K474 WeakPolarHBondContact O-CG 3.48Å; D470-K474 PolarHBondContact O-N 2.93Å; D470-K474 WeakPolarHBondContact OD1-CE 3.18Å; D470-K474 IonicContact OD1-NZ 2.65Å; D470-K474 PolarHBondContact OD1-NZ 3.49Å; D470-K474 WeakPolarHBondContact OD2-CE 3.38Å; D470-K474 IonicContact OD2-NZ 2.88Å; D470-K474 PolarHBondContact OD2-NZ 3.39Å; K471-K474 PolarHBondContact O-N 2.89Å; K474-A476 VanDerWaalsContact C-N 3.31Å; K474-A476 PolarHBondContact O-N 3.2Å; K474-L477 WeakPolarHBondContact O-CB 3.18Å; K474-L477 PolarHBondContact O-N 3.46Å; K474-L477 VanDerWaalsContact O-N 3.14Å; K474-Y478 HydrophobicContact CB-CE2 4.15Å; K474-Y478 WeakPolarHBondContact O-CD2 3.41Å; K474-Y478 PolarHBondContact O-N 2.97Å
475	A	93.3	Very high	80.5	Confident	57 Å²	57	70.6 Å²	70.6	47%	0.471	39%	0.388	S	S	.	.	H	α-helix	trans	-58	-42.5	175.6	0	0	0	0	0	112.2	K471 D472 I473 L477 Y478 S479	K471-A475 WeakPolarHBondContact O-CB 3.43Å; K471-A475 PolarHBondContact O-N 3.14Å; D472-A475 PolarHBondContact O-N 2.68Å; I473-A475 PolarHBondContact O-N 2.88Å; A475-L477 PolarHBondContact O-N 3.42Å; A475-Y478 PolarHBondContact O-N 3.06Å; A475-S479 PolarHBondContact O-N 3Å
476	A	90.9	Very high	78.3	Confident	23 Å²	23	77.6 Å²	77.6	19%	0.19	41%	0.409	C	S	.	.	H	α-helix	trans	-65.1	-37	176.2	0	0	0	0	0	112.7	F438 V443 D472 I473 K474 S479 K480	F438-A476 HydrophobicContact CE2-CB 3.86Å; V443-A476 HydrophobicContact CG1-CB 3.92Å; V443-A476 HydrophobicContact CG2-CB 4.28Å; D472-A476 WeakPolarHBondContact O-CB 3.18Å; D472-A476 PolarHBondContact O-N 2.98Å; I473-A476 PolarHBondContact O-N 2.91Å; K474-A476 VanDerWaalsContact C-N 3.31Å; K474-A476 PolarHBondContact O-N 3.2Å; A476-S479 PolarHBondContact O-N 3.19Å; A476-S479 PolarHBondContact O-OG 3.06Å; A476-K480 PolarHBondContact O-N 3.02Å
477	L	88.8	Confident	75.7	Confident	54 Å²	54	85.9 Å²	85.9	28%	0.283	45%	0.445	S	S	.	.	H	α-helix	trans	-63.9	-45.6	174.5	-71.4	169.8	0	0	0	112	V443 L447 I473 K474 A475 S479 K480 S481	V443-L477 HydrophobicContact CB-CD2 4.08Å; V443-L477 HydrophobicContact CG1-CD1 4.42Å; V443-L477 HydrophobicContact CG1-CD2 3.64Å; V443-L477 HydrophobicContact CG1-CG 3.57Å; L447-L477 HydrophobicContact CD2-CD1 3.66Å; I473-L477 HydrophobicContact CG2-CD1 4.28Å; I473-L477 PolarHBondContact O-N 3.42Å; K474-L477 WeakPolarHBondContact O-CB 3.18Å; K474-L477 PolarHBondContact O-N 3.46Å; K474-L477 VanDerWaalsContact O-N 3.14Å; A475-L477 PolarHBondContact O-N 3.42Å; L477-S479 VanDerWaalsContact C-N 3.33Å; L477-S479 PolarHBondContact O-N 2.69Å; L477-K480 WeakPolarHBondContact O-CB 3.33Å; L477-K480 PolarHBondContact O-N 3.26Å; L477-K480 VanDerWaalsContact O-N 3.14Å; L477-S481 PolarHBondContact O-N 3.46Å
478	Y	87.3	Confident	72.7	Confident	158 Å²	158	86.1 Å²	86.1	62%	0.62	47%	0.465	S	S	*	.	H	α-helix	trans	-63.6	-38.4	177.5	-68.9	-64	0	0	0	112.3	K474 A475 K480 S481 D482	K474-Y478 HydrophobicContact CB-CE2 4.15Å; K474-Y478 WeakPolarHBondContact O-CD2 3.41Å; K474-Y478 PolarHBondContact O-N 2.97Å; A475-Y478 PolarHBondContact O-N 3.06Å; Y478-K480 PolarHBondContact O-N 3.14Å; Y478-S481 WeakPolarHBondContact CA-OG 3.27Å; Y478-S481 PolarHBondContact O-N 3.1Å; Y478-S481 PolarHBondContact O-OG 3.24Å; Y478-D482 PolarHBondContact O-N 3.42Å; Y478-D482 VanDerWaalsContact O-N 3.08Å
479	S	82.1	Confident	69.6	Low	74 Å²	74	90.6 Å²	90.6	52%	0.517	48%	0.482	S	S	.	.	H	α-helix	trans	-64.5	-29.6	175.5	74.3	0	0	0	0	113.2	A475 A476 L477 S483	A475-S479 PolarHBondContact O-N 3Å; A476-S479 PolarHBondContact O-N 3.19Å; A476-S479 PolarHBondContact O-OG 3.06Å; L477-S479 VanDerWaalsContact C-N 3.33Å; L477-S479 PolarHBondContact O-N 2.69Å; S479-S483 PolarHBondContact O-OG 2.91Å
480	K	67.6	Low	66.5	Low	102 Å²	102	94 Å²	94	44%	0.443	51%	0.507	S	S	.	.	H	α-helix	trans	-73.7	-44	173.5	-90.7	-175.6	173.6	179.7	0	111.4	A476 L477 Y478 D482 S483 E484	A476-K480 PolarHBondContact O-N 3.02Å; L477-K480 WeakPolarHBondContact O-CB 3.33Å; L477-K480 PolarHBondContact O-N 3.26Å; L477-K480 VanDerWaalsContact O-N 3.14Å; Y478-K480 PolarHBondContact O-N 3.14Å; K480-D482 PolarHBondContact O-N 2.53Å; K480-S483 PolarHBondContact O-N 3.39Å; K480-S483 VanDerWaalsContact O-N 3.14Å; K480-S483 PolarHBondContact O-OG 3.4Å; K480-E484 PolarHBondContact O-N 3.35Å
481	S	57.3	Low	63.3	Low	50 Å²	50	97.4 Å²	97.4	35%	0.35	53%	0.532	S	S	.	.	H	α-helix	trans	-63	-39.9	179.5	57.6	0	0	0	0	112.7	L477 Y478 S483 E484 D485	L477-S481 PolarHBondContact O-N 3.46Å; Y478-S481 WeakPolarHBondContact CA-OG 3.27Å; Y478-S481 PolarHBondContact O-N 3.1Å; Y478-S481 PolarHBondContact O-OG 3.24Å; S481-S483 PolarHBondContact O-N 2.78Å; S481-E484 CarbonylContact O-C 3.56Å; S481-E484 PolarHBondContact O-N 2.74Å; S481-D485 PolarHBondContact O-N 2.67Å
482	D	50.3	Low	60.7	Low	123 Å²	123	97.4 Å²	97.4	66%	0.658	54%	0.538	S	S	*	.	H	α-helix	trans	-64.7	-26.9	175.9	-80	-12.6	0	0	0	112.9	Y478 K480	Y478-D482 PolarHBondContact O-N 3.42Å; Y478-D482 VanDerWaalsContact O-N 3.08Å; K480-D482 PolarHBondContact O-N 2.53Å
483	S	50.1	Low	57.9	Low	78 Å²	78	102.3 Å²	102.3	55%	0.545	55%	0.55	S	S	.	*	H	α-helix	trans	-82.6	-24.2	173.7	66.5	0	0	0	0	113.6	S479 K480 S481	S479-S483 PolarHBondContact O-OG 2.91Å; K480-S483 PolarHBondContact O-N 3.39Å; K480-S483 VanDerWaalsContact O-N 3.14Å; K480-S483 PolarHBondContact O-OG 3.4Å; S481-S483 PolarHBondContact O-N 2.78Å
484	E	43.9	Very low	55.5	Low	100 Å²	100	107.5 Å²	107.5	47%	0.467	57%	0.573	S	S	.	*	H	α-helix	trans	-88.4	-20.6	176	-71.5	-152.7	174.8	0	0	113.8	K480 S481 K486 K487	K480-E484 PolarHBondContact O-N 3.35Å; S481-E484 CarbonylContact O-C 3.56Å; S481-E484 PolarHBondContact O-N 2.74Å; E484-K486 PolarHBondContact O-N 2.72Å; E484-K487 CarbonylContact O-C 3.57Å; E484-K487 WeakPolarHBondContact O-CA 3.47Å; E484-K487 PolarHBondContact O-N 3.22Å
485	D	38.6	Very low	52.6	Low	145 Å²	145	111.3 Å²	111.3	78%	0.775	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	-2.1	171.8	-84.3	-23.2	0	0	0	113.6	S481	S481-D485 PolarHBondContact O-N 2.67Å
486	K	44.6	Very low	49.5	Very low	196 Å²	196	114.2 Å²	114.2	85%	0.852	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.4	-5.7	163.1	-78.7	-176	177.9	174.7	0	114.7	E484	E484-K486 PolarHBondContact O-N 2.72Å
487	K	39.9	Very low	46.9	Very low	173 Å²	173	119.7 Å²	119.7	75%	0.752	63%	0.629	S	S	*	*	S	Bend	trans	-151.3	97.9	176.5	-77	-172.4	177.9	175.8	0	110.2	E484 N489	E484-K487 CarbonylContact O-C 3.57Å; E484-K487 WeakPolarHBondContact O-CA 3.47Å; E484-K487 PolarHBondContact O-N 3.22Å; K487-N489 PolarHBondContact O-N 2.96Å
488	G	30.2	Very low	44.1	Very low	79 Å²	79	121.5 Å²	121.5	81%	0.814	65%	0.646	S	S	*	*			trans	-54.6	127.7	-174.7	0	0	0	0	0	115.8
489	N	28.8	Very low	41.7	Very low	141 Å²	141	126.2 Å²	126.2	75%	0.754	66%	0.662	S	S	*	*			trans	46.2	100.8	141.1	-127.8	-0.6	0	0	0	120.3	K487	K487-N489 PolarHBondContact O-N 2.96Å
490	S	30	Very low	39.4	Very low	85 Å²	85	132.2 Å²	132.2	59%	0.594	68%	0.679	S	S	*	*				120.8	128.8	116.4	75	0	0	0	0	119.1
491	S	28.8	Very low	38.4	Very low	89 Å²	89	131.4 Å²	131.4	62%	0.622	68%	0.677	S	S	*	*			trans	73.6	137.5	172.5	69.4	0	0	0	0	116.3	R493	S491-R493 PolarHBondContact O-N 3.48Å
492	I	40.4	Very low	38.6	Very low	152 Å²	152	134.3 Å²	134.3	78%	0.779	70%	0.697	S	S	*	*			trans	-65.4	70.6	175.1	-56	170	0	0	0	108.3
493	R	35.9	Very low	39.5	Very low	186 Å²	186	130.4 Å²	130.4	70%	0.702	68%	0.676	S	S	*	*			trans	-83.9	131.6	165.4	-81.6	-179.7	173.6	-176.1	-3.7	106.7	S491 Q495	S491-R493 PolarHBondContact O-N 3.48Å; R493-Q495 PolarHBondContact O-N 3.3Å
494	F	43	Very low	40.5	Very low	108 Å²	108	129 Å²	129	47%	0.474	67%	0.665	S	S	.	*			trans	-53	85.8	166.8	-70.2	-89.1	0	0	0	110.2	V508	F494-V508 HydrophobicContact CD2-CG1 4.24Å
495	Q	32.8	Very low	41.9	Very low	165 Å²	165	132.3 Å²	132.3	77%	0.771	68%	0.68	S	S	*	*			trans	-141.8	99.7	173.6	-74.7	-169.3	-8.5	0	0	111.4	R493	R493-Q495 PolarHBondContact O-N 3.3Å
496	S	29	Very low	43.4	Very low	117 Å²	117	130.2 Å²	130.2	82%	0.818	67%	0.669	S	S	*	*				-164.1	82.6	103.3	77.2	0	0	0	0	110.4
497	F	34.9	Very low	45	Very low	139 Å²	139	121 Å²	121	61%	0.61	63%	0.629	S	S	*	*	S	Bend	trans	-87.7	147	146.6	-74.5	-83.5	0	0	0	107.3	E501	F497-E501 HydrophobicContact CB-CB 4.17Å; F497-E501 WeakPolarHBondContact CB-O 3.49Å
498	S	31.2	Very low	46.8	Very low	91 Å²	91	114.5 Å²	114.5	64%	0.636	60%	0.604	S	S	*	*			trans	-50	151.1	178.8	177.3	0	0	0	0	111.2	K500 E501	S498-K500 PolarHBondContact O-N 3.41Å; S498-E501 PolarHBondContact O-N 3.48Å
499	R	35.6	Very low	49.2	Very low	258 Å²	258	113.3 Å²	113.3	97%	0.974	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.7	15.9	-173.6	-77.4	-177.8	-179.7	175.1	-0.3	116.2
500	K	34.3	Very low	51.6	Low	199 Å²	199	108.4 Å²	108.4	87%	0.865	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.8	-3.6	170.3	-88.1	-176.8	172.5	-178.2	0	114.8	S498	S498-K500 PolarHBondContact O-N 3.41Å
501	E	47.3	Very low	54.1	Low	86 Å²	86	105.8 Å²	105.8	40%	0.402	53%	0.531	S	S	.	.			trans	-130.7	46.7	-170.7	-68	174.2	164.2	0	0	112.7	F497 S498 I503	F497-E501 HydrophobicContact CB-CB 4.17Å; F497-E501 WeakPolarHBondContact CB-O 3.49Å; S498-E501 PolarHBondContact O-N 3.48Å; E501-I503 PolarHBondContact O-N 3.24Å
502	S	60.8	Low	56.6	Low	111 Å²	111	106.2 Å²	106.2	78%	0.776	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-79.7	118.7	174.7	54.9	0	0	0	0	110.2
503	I	69	Low	58.8	Low	40 Å²	40	104.6 Å²	104.6	21%	0.205	51%	0.508	C	S	.	.	P	Polyproline II helix	trans	-51.6	132.9	167.4	-60.2	175.5	0	0	0	108.6	E501 E507 V508	E501-I503 PolarHBondContact O-N 3.24Å; I503-E507 HydrophobicContact CG2-CB 3.68Å; I503-E507 HydrophobicContact CG2-CG 3.35Å; I503-V508 HydrophobicContact CG2-CG2 4.25Å
504	P	71.9	Confident	61.4	Low	48 Å²	48	95.8 Å²	95.8	31%	0.312	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-54.6	145.1	178.2	-24.8	33.4	0	0	0	112.5	F180 D506 E507 V508	F180-P504 VanDerWaalsContact O-CD 3.27Å; F180-P504 WeakPolarHBondContact O-CD 3.34Å; P504-D506 PolarHBondContact O-N 3.08Å; P504-E507 WeakPolarHBondContact O-CB 2.87Å; P504-E507 PolarHBondContact O-N 3.35Å; P504-E507 VanDerWaalsContact O-N 3.09Å; P504-V508 PolarHBondContact O-N 3.31Å
505	E	73.3	Confident	63.9	Low	170 Å²	170	92.5 Å²	92.5	79%	0.794	46%	0.46	S	S	*	.	H	α-helix	trans	-57.4	-37.9	-179.6	-66.3	-174.8	169.3	0	0	112.1	E507 V508 V509	E505-E507 VanDerWaalsContact C-N 3.32Å; E505-E507 PolarHBondContact O-N 3.07Å; E505-V508 WeakPolarHBondContact O-CB 3.33Å; E505-V508 PolarHBondContact O-N 2.93Å; E505-V508 VanDerWaalsContact O-N 3.14Å; E505-V509 WeakPolarHBondContact O-CG2 3.33Å; E505-V509 PolarHBondContact O-N 3.49Å; E505-V509 VanDerWaalsContact O-N 3.07Å
506	D	70.5	Confident	66.9	Low	101 Å²	101	85 Å²	85	54%	0.54	43%	0.425	S	S	.	.	H	α-helix	trans	-60	-40.2	177.5	-62.7	-25	0	0	0	112.3	P504 V509 L510	P504-D506 PolarHBondContact O-N 3.08Å; D506-V509 PolarHBondContact O-N 3.38Å; D506-L510 WeakPolarHBondContact O-CG 3.36Å; D506-L510 PolarHBondContact O-N 3.32Å; D506-L510 VanDerWaalsContact O-N 3.08Å
507	E	78.3	Confident	70.1	Confident	4 Å²	4	79.5 Å²	79.5	2%	0.019	39%	0.386	C	S	.	.	H	α-helix	trans	-68.5	-35.6	177.1	170	69.9	-177.8	0	0	111.3	F180 C181 R210 Y249 I503 P504 E505 L510 R511	F180-E507 WeakPolarHBondContact O-CB 3.45Å; F180-E507 WeakPolarHBondContact O-CG 3.41Å; C181-E507 PolarHBondContact SG-OE1 3.25Å; C181-E507 VanDerWaalsContact SG-OE1 3.39Å; R210-E507 IonicContact NH2-OE1 3.45Å; R210-E507 PolarHBondContact NH2-OE1 2.85Å; Y249-E507 VanDerWaalsContact CE1-OE1 3.32Å; Y249-E507 WeakPolarHBondContact CE1-OE1 3.24Å; Y249-E507 PolarHBondContact OH-OE2 3.09Å; I503-E507 HydrophobicContact CG2-CB 3.68Å; I503-E507 HydrophobicContact CG2-CG 3.35Å; P504-E507 WeakPolarHBondContact O-CB 2.87Å; P504-E507 PolarHBondContact O-N 3.35Å; P504-E507 VanDerWaalsContact O-N 3.09Å; E505-E507 VanDerWaalsContact C-N 3.32Å; E505-E507 PolarHBondContact O-N 3.07Å; E507-L510 PolarHBondContact O-N 3.14Å; E507-R511 VanDerWaalsContact O-CG 3.31Å; E507-R511 WeakPolarHBondContact O-CG 3.45Å; E507-R511 PolarHBondContact O-N 3Å; E507-R511 IonicContact OE1-CZ 3.99Å; E507-R511 VanDerWaalsContact OE1-CZ 3.25Å; E507-R511 IonicContact OE1-NE 3.91Å; E507-R511 PolarHBondContact OE1-NE 3.38Å; E507-R511 IonicContact OE1-NH2 3.95Å; E507-R511 PolarHBondContact OE1-NH2 3.13Å
508	V	77.5	Confident	73	Confident	35 Å²	35	75.9 Å²	75.9	21%	0.212	37%	0.37	C	S	.	.	H	α-helix	trans	-62.3	-45.4	174.3	178.6	0	0	0	0	110.3	F494 I503 P504 E505 L510 R511 E512	F494-V508 HydrophobicContact CD2-CG1 4.24Å; I503-V508 HydrophobicContact CG2-CG2 4.25Å; P504-V508 PolarHBondContact O-N 3.31Å; E505-V508 WeakPolarHBondContact O-CB 3.33Å; E505-V508 PolarHBondContact O-N 2.93Å; E505-V508 VanDerWaalsContact O-N 3.14Å; V508-L510 VanDerWaalsContact C-N 3.32Å; V508-L510 PolarHBondContact O-N 3.08Å; V508-R511 PolarHBondContact O-N 2.96Å; V508-E512 WeakPolarHBondContact O-CG 3.28Å; V508-E512 PolarHBondContact O-N 3Å
509	V	79	Confident	76.2	Confident	55 Å²	55	73.1 Å²	73.1	33%	0.333	35%	0.347	S	S	.	.	H	α-helix	trans	-61.2	-40.4	177.7	174.4	0	0	0	0	111.6	E505 D506 E512 R513	E505-V509 WeakPolarHBondContact O-CG2 3.33Å; E505-V509 PolarHBondContact O-N 3.49Å; E505-V509 VanDerWaalsContact O-N 3.07Å; D506-V509 PolarHBondContact O-N 3.38Å; V509-E512 PolarHBondContact O-N 2.86Å; V509-R513 VanDerWaalsContact O-CG 3.3Å; V509-R513 WeakPolarHBondContact O-CG 3.48Å; V509-R513 PolarHBondContact O-N 3.49Å; V509-R513 VanDerWaalsContact O-N 3.12Å
510	L	79.8	Confident	79.2	Confident	38 Å²	38	61.2 Å²	61.2	20%	0.199	30%	0.302	C	S	.	.	H	α-helix	trans	-63.6	-41.2	176.3	-70.8	172.7	0	0	0	112	Y249 D506 E507 V508 R513 S514	Y249-L510 HydrophobicContact CD2-CB 3.91Å; Y249-L510 HydrophobicContact CE2-CB 3.86Å; Y249-L510 HydrophobicContact CE2-CD1 3.88Å; Y249-L510 HydrophobicContact CE2-CG 4.36Å; Y249-L510 HydrophobicContact CG-CB 4.37Å; D506-L510 WeakPolarHBondContact O-CG 3.36Å; D506-L510 PolarHBondContact O-N 3.32Å; D506-L510 VanDerWaalsContact O-N 3.08Å; E507-L510 PolarHBondContact O-N 3.14Å; V508-L510 VanDerWaalsContact C-N 3.32Å; V508-L510 PolarHBondContact O-N 3.08Å; L510-R513 CarbonylContact O-C 3.51Å; L510-R513 PolarHBondContact O-N 3.45Å; L510-S514 PolarHBondContact O-N 2.85Å
511	R	82.9	Confident	82.2	Confident	30 Å²	30	51.7 Å²	51.7	11%	0.113	26%	0.261	C	S	.	.	H	α-helix	trans	-65	-38.5	176.3	-70.6	174.9	-173.9	-162.5	8.5	112.6	F208 Y249 E507 V508 R513 S514	F208-R511 HydrophobicContact CD1-CB 4.4Å; F208-R511 HydrophobicContact CD1-CG 4.04Å; F208-R511 HydrophobicContact CD2-CG 4.1Å; F208-R511 HydrophobicContact CE1-CB 3.73Å; F208-R511 HydrophobicContact CE1-CG 3.81Å; F208-R511 HydrophobicContact CE2-CB 4.32Å; F208-R511 HydrophobicContact CE2-CG 3.89Å; F208-R511 HydrophobicContact CG-CG 4.19Å; F208-R511 HydrophobicContact CZ-CB 3.7Å; F208-R511 HydrophobicContact CZ-CG 3.74Å; Y249-R511 HydrophobicContact CD1-CG 4.02Å; Y249-R511 HydrophobicContact CE1-CG 4.19Å; E507-R511 VanDerWaalsContact O-CG 3.31Å; E507-R511 WeakPolarHBondContact O-CG 3.45Å; E507-R511 PolarHBondContact O-N 3Å; E507-R511 IonicContact OE1-CZ 3.99Å; E507-R511 VanDerWaalsContact OE1-CZ 3.25Å; E507-R511 IonicContact OE1-NE 3.91Å; E507-R511 PolarHBondContact OE1-NE 3.38Å; E507-R511 IonicContact OE1-NH2 3.95Å; E507-R511 PolarHBondContact OE1-NH2 3.13Å; V508-R511 PolarHBondContact O-N 2.96Å; R511-R513 VanDerWaalsContact C-N 3.26Å; R511-R513 PolarHBondContact O-N 3.27Å; R511-S514 WeakPolarHBondContact O-CB 3.17Å; R511-S514 PolarHBondContact O-N 3.38Å; R511-S514 PolarHBondContact O-OG 3.2Å
512	E	81.7	Confident	84.6	Confident	98 Å²	98	48.5 Å²	48.5	46%	0.458	25%	0.248	S	C	.	.	H	α-helix	trans	-67.4	-26.1	174.5	-71.2	178.8	175.8	0	0	113.1	V508 V509 S514	V508-E512 WeakPolarHBondContact O-CG 3.28Å; V508-E512 PolarHBondContact O-N 3Å; V509-E512 PolarHBondContact O-N 2.86Å; E512-S514 VanDerWaalsContact C-N 3.28Å
513	R	86.1	Confident	86.3	Confident	118 Å²	118	43.2 Å²	43.2	45%	0.445	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	9.6	175.6	-67.2	174.6	-177	-173.3	4	113.3	D244 V509 L510 R511	D244-R513 IonicContact OD1-NH1 2.79Å; V509-R513 VanDerWaalsContact O-CG 3.3Å; V509-R513 WeakPolarHBondContact O-CG 3.48Å; V509-R513 PolarHBondContact O-N 3.49Å; V509-R513 VanDerWaalsContact O-N 3.12Å; L510-R513 CarbonylContact O-C 3.51Å; L510-R513 PolarHBondContact O-N 3.45Å; R511-R513 VanDerWaalsContact C-N 3.26Å; R511-R513 PolarHBondContact O-N 3.27Å
514	S	91.4	Very high	87.6	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.201	C	C	.	.			trans	-63.8	161.9	-178	59.2	0	0	0	0	113.6	Y249 V251 P303 L510 R511 E512	Y249-S514 CarbonylContact O-C 3.54Å; Y249-S514 WeakPolarHBondContact O-CA 3.49Å; Y249-S514 WeakPolarHBondContact O-CB 3.33Å; V251-S514 WeakPolarHBondContact CG1-OG 3.38Å; P303-S514 WeakPolarHBondContact CD-O 3.04Å; L510-S514 PolarHBondContact O-N 2.85Å; R511-S514 WeakPolarHBondContact O-CB 3.17Å; R511-S514 PolarHBondContact O-N 3.38Å; R511-S514 PolarHBondContact O-OG 3.2Å; E512-S514 VanDerWaalsContact C-N 3.28Å
515	F	94.8	Very high	88.7	Confident	40 Å²	40	39 Å²	39	18%	0.175	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-113.3	145.3	178	-58.5	-70.3	0	0	0	111.8	Y249 Y250 V251 K300 Q301 R302	Y249-F515 PolarHBondContact O-N 2.92Å; Y250-F515 CarbonylContact C-O 3.49Å; Y250-F515 WeakPolarHBondContact CA-O 3.35Å; Y250-F515 HydrophobicContact CD1-CB 3.75Å; Y250-F515 HydrophobicContact CE1-CB 3.82Å; Y250-F515 HydrophobicContact CE1-CD2 4.04Å; Y250-F515 HydrophobicContact CE1-CG 4.32Å; V251-F515 PolarHBondContact N-O 3.41Å; K300-F515 HydrophobicContact CB-CB 4.36Å; K300-F515 HydrophobicContact CB-CD1 3.44Å; K300-F515 VanDerWaalsContact CB-CD1 3.44Å; K300-F515 HydrophobicContact CB-CD2 4.33Å; K300-F515 HydrophobicContact CB-CE1 3.65Å; K300-F515 HydrophobicContact CB-CG 3.79Å; K300-F515 HydrophobicContact CB-CZ 4.2Å; K300-F515 HydrophobicContact CD-CD1 4.31Å; K300-F515 HydrophobicContact CD-CD2 3.85Å; K300-F515 HydrophobicContact CD-CE1 4.07Å; K300-F515 HydrophobicContact CD-CE2 3.62Å; K300-F515 HydrophobicContact CD-CG 4.19Å; K300-F515 HydrophobicContact CD-CZ 3.72Å; K300-F515 HydrophobicContact CG-CD1 4.39Å; K300-F515 HydrophobicContact CG-CD2 4.47Å; K300-F515 HydrophobicContact CG-CE1 4.48Å; K300-F515 HydrophobicContact CG-CG 4.36Å; Q301-F515 CarbonylContact O-C 3.5Å; Q301-F515 VanDerWaalsContact O-CA 3.26Å; Q301-F515 WeakPolarHBondContact O-CA 3.33Å; R302-F515 HydrophobicContact CG-CD1 4.46Å
516	D	95.4	Very high	89.7	Confident	6 Å²	6	31 Å²	31	3%	0.032	15%	0.149	C	C	.	.			trans	-86.8	164.7	-177.5	-161	24.3	0	0	0	112.4	V251 G253 F295 Q301 P303 Y410 R414	V251-D516 WeakPolarHBondContact O-CA 3.19Å; G253-D516 PolarHBondContact N-OD1 2.77Å; F295-D516 WeakPolarHBondContact CD1-O 3.27Å; Q301-D516 PolarHBondContact O-N 2.92Å; P303-D516 HydrophobicContact CB-CB 4.18Å; P303-D516 HydrophobicContact CG-CB 3.92Å; Y410-D516 WeakPolarHBondContact CE1-OD2 3.29Å; Y410-D516 PolarHBondContact OH-OD2 3.24Å; R414-D516 IonicContact NE-OD2 3.75Å; R414-D516 PolarHBondContact NE-OD2 3.5Å
517	Y	96.7	Very high	90.6	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.008	14%	0.137	C	C	.	.			trans	-75.2	151.2	178.8	65.4	-87.5	0	0	0	112.7	A252 Y293 Y410 D411 R414 H519 R520	A252-Y517 HydrophobicContact CB-CD1 3.54Å; A252-Y517 HydrophobicContact CB-CE1 3.7Å; Y293-Y517 AromaticContact CD1-CD1 3.7Å; Y293-Y517 HydrophobicContact CD1-CD1 3.7Å; Y293-Y517 HydrophobicContact CD1-CD2 4.11Å; Y293-Y517 HydrophobicContact CD1-CE1 4.11Å; Y293-Y517 AromaticContact CD1-CG 3.68Å; Y293-Y517 HydrophobicContact CD1-CG 3.68Å; Y293-Y517 AromaticContact CE1-CD1 3.95Å; Y293-Y517 HydrophobicContact CE1-CD1 3.95Å; Y293-Y517 AromaticContact CE1-CE1 3.91Å; Y293-Y517 HydrophobicContact CE1-CE1 3.91Å; Y293-Y517 HydrophobicContact CE1-CG 4.31Å; Y410-Y517 AromaticContact CD1-CE1 3.8Å; Y410-Y517 HydrophobicContact CD1-CE1 3.8Å; Y410-Y517 AromaticContact CD1-CZ 3.97Å; Y410-Y517 WeakPolarHBondContact CD1-OH 3.47Å; Y410-Y517 AromaticContact CE1-CE1 3.69Å; Y410-Y517 HydrophobicContact CE1-CE1 3.69Å; D411-Y517 PolarHBondContact OD1-OH 3.14Å; R414-Y517 PolarHBondContact NH2-O 2.8Å; Y517-H519 WeakPolarHBondContact CD2-O 3.47Å; Y517-R520 HydrophobicContact CD2-CB 4.05Å; Y517-R520 HydrophobicContact CE2-CB 3.64Å
518	K	96.1	Very high	91	Very high	63 Å²	63	31 Å²	31	27%	0.274	15%	0.153	S	C	.	.	S	Bend	trans	-80.2	-54.3	168.9	-176.4	-178.3	176.5	171.7	0	110.7	E282 L294 D296	E282-K518 IonicContact OE1-NZ 3.34Å; E282-K518 PolarHBondContact OE1-NZ 2.89Å; L294-K518 HydrophobicContact CD2-CD 4.44Å; L294-K518 WeakPolarHBondContact O-CA 3.43Å; L294-K518 WeakPolarHBondContact O-CB 3.37Å; L294-K518 PolarHBondContact O-N 3.31Å; D296-K518 HydrophobicContact CB-CB 4.31Å; D296-K518 HydrophobicContact CB-CD 4.07Å; D296-K518 IonicContact OD2-NZ 3.33Å; D296-K518 PolarHBondContact OD2-NZ 2.9Å
519	H	97.6	Very high	91.4	Very high	34 Å²	34	30.8 Å²	30.8	16%	0.157	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	155.3	-178.4	-65.2	-62.3	0	0	0	112.3	L294 Y517 Y521 E559 T561	L294-H519 HydrophobicContact CB-CB 4.15Å; L294-H519 HydrophobicContact CD2-CB 4.44Å; L294-H519 PolarHBondContact N-O 2.77Å; L294-H519 PolarHBondContact O-N 3.27Å; Y517-H519 WeakPolarHBondContact CD2-O 3.47Å; H519-Y521 HydrophobicContact CB-CE2 4.15Å; H519-Y521 WeakPolarHBondContact CB-OH 3.45Å; H519-E559 PolarHBondContact CE1-O 3.3Å; H519-E559 VanDerWaalsContact CE1-O 3.3Å; H519-T561 HydrophobicContact CB-CG2 3.81Å
520	R	97.9	Very high	91.7	Very high	7 Å²	7	30 Å²	30	3%	0.026	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	128.3	177.5	-178.6	178	72.2	137.1	6.8	108.6	Q291 V292 Y293 D406 D408 D411 Y517	Q291-R520 HydrophobicContact CB-CG 3.9Å; Q291-R520 HydrophobicContact CG-CG 4.42Å; V292-R520 WeakPolarHBondContact O-CA 3.37Å; Y293-R520 HydrophobicContact CD1-CB 4.15Å; Y293-R520 HydrophobicContact CD1-CG 4Å; Y293-R520 HydrophobicContact CE1-CB 4.14Å; Y293-R520 HydrophobicContact CE1-CG 3.62Å; D406-R520 PolarHBondContact O-NH1 3.3Å; D408-R520 IonicContact OD1-CZ 2.68Å; D408-R520 IonicContact OD1-NH2 2.75Å; D408-R520 PolarHBondContact OD1-NH2 3.16Å; D411-R520 IonicContact OD1-NE 2.78Å; D411-R520 IonicContact OD2-CZ 3Å; D411-R520 IonicContact OD2-NE 3.33Å; D411-R520 PolarHBondContact OD2-NE 3.38Å; D411-R520 IonicContact OD2-NH2 3.36Å; D411-R520 PolarHBondContact OD2-NH2 3.23Å; Y517-R520 HydrophobicContact CD2-CB 4.05Å; Y517-R520 HydrophobicContact CE2-CB 3.64Å
521	Y	98.5	Very high	92.1	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	121.1	-179.3	-50.7	-82.7	0	0	0	109.2	L284 V292 L294 H519 I544 W556 K558 T561	L284-Y521 HydrophobicContact CD1-CD2 4.46Å; L284-Y521 HydrophobicContact CD1-CE2 4.11Å; V292-Y521 HydrophobicContact CB-CD2 4.2Å; V292-Y521 HydrophobicContact CG1-CD2 4.11Å; V292-Y521 PolarHBondContact N-O 3.49Å; V292-Y521 PolarHBondContact O-N 2.93Å; L294-Y521 HydrophobicContact CB-CE2 4.01Å; H519-Y521 HydrophobicContact CB-CE2 4.15Å; H519-Y521 WeakPolarHBondContact CB-OH 3.45Å; Y521-I544 HydrophobicContact CD2-CG1 4.38Å; Y521-I544 HydrophobicContact CD2-CG2 4.26Å; Y521-I544 HydrophobicContact CE1-CB 4.47Å; Y521-I544 HydrophobicContact CE1-CG1 3.99Å; Y521-I544 HydrophobicContact CE2-CB 4.45Å; Y521-I544 HydrophobicContact CE2-CG1 3.81Å; Y521-I544 HydrophobicContact CE2-CG2 4.44Å; Y521-W556 HydrophobicContact CD1-CB 3.59Å; Y521-W556 HydrophobicContact CD1-CD2 4.33Å; Y521-W556 AromaticContact CD1-CG 3.83Å; Y521-W556 HydrophobicContact CD1-CG 3.83Å; Y521-W556 HydrophobicContact CE1-CB 4.22Å; Y521-W556 HydrophobicContact CG-CB 4.43Å; Y521-W556 HydrophobicContact CG-CD2 4.36Å; Y521-W556 HydrophobicContact CG-CG 4.31Å; Y521-K558 WeakPolarHBondContact CE1-O 2.98Å; Y521-K558 WeakPolarHBondContact OH-CG 3.31Å; Y521-K558 PolarHBondContact OH-O 2.96Å; Y521-T561 HydrophobicContact CD1-CG2 4.2Å; Y521-T561 HydrophobicContact CE1-CG2 3.85Å
522	C	97.1	Very high	92.7	Very high	19 Å²	19	28 Å²	28	13%	0.128	14%	0.137	C	C	.	.			trans	-113.2	150	-171.6	-54.9	0	0	0	0	112.8	Q291 W405 W556	Q291-C522 VanDerWaalsContact OE1-CA 3.23Å; W405-C522 HydrophobicContact CE3-CB 4.08Å; W405-C522 HydrophobicContact CZ3-CB 4.03Å; C522-W556 PolarHBondContact O-NE1 2.65Å
523	G	96.2	Very high	93.4	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.116	C	C	.	.	S	Bend	trans	124.5	-19	166.8	0	0	0	0	0	114.6	F554 A619 N622	G523-F554 VanDerWaalsContact C-CE1 3.45Å; G523-F554 WeakPolarHBondContact O-CE1 3.45Å; G523-F554 VanDerWaalsContact O-CZ 3.26Å; G523-F554 WeakPolarHBondContact O-CZ 3.25Å; G523-A619 WeakPolarHBondContact O-CA 3.12Å; G523-N622 WeakPolarHBondContact O-CB 3.46Å; G523-N622 PolarHBondContact O-ND2 2.69Å
524	H	96.6	Very high	94	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.095	C	C	.	.			trans	-77.7	168	171.3	77.9	-30.8	0	0	0	110.8	N286 E290 V292 S546 G547 F554 W556	N286-H524 PolarHBondContact OD1-NE2 3.11Å; E290-H524 PolarHBondContact O-CE1 3.07Å; V292-H524 WeakPolarHBondContact CG2-NE2 3.35Å; H524-S546 PolarHBondContact CD2-OG 2.88Å; H524-G547 PolarHBondContact CD2-O 2.82Å; H524-F554 HydrophobicContact CB-CD2 3.81Å; H524-F554 HydrophobicContact CB-CE2 4.21Å; H524-F554 HydrophobicContact CB-CG 4.05Å; H524-W556 HydrophobicContact CB-CH2 4Å; H524-W556 HydrophobicContact CB-CZ2 4.37Å
525	C	95.1	Very high	94.3	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.099	C	C	.	.			trans	-122.9	132	172.9	-174.7	0	0	0	0	110.8	T527 S548 D549 N622 M626	C525-T527 PolarHBondContact SG-OG1 3.07Å; C525-T527 VanDerWaalsContact SG-OG1 3.34Å; C525-S548 PolarHBondContact N-OG 3Å; C525-S548 CarbonylContact O-C 3.55Å; C525-S548 WeakPolarHBondContact O-CA 3.17Å; C525-D549 HydrophobicContact CB-CB 4.21Å; C525-D549 PolarHBondContact O-N 3.33Å; C525-N622 HydrophobicContact CB-CB 3.85Å; C525-M626 HydrophobicContact CB-CG 4.47Å
526	N	94	Very high	94.4	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.095	C	C	.	.			trans	-139.3	84.7	178.7	-178.3	7.1	0	0	0	109.4	T272 N286 G288 G289 T529 K532	T272-N526 PolarHBondContact OG1-ND2 2.88Å; N286-N526 PolarHBondContact OD1-ND2 3.47Å; N286-N526 VanDerWaalsContact OD1-ND2 3.08Å; G288-N526 CarbonylContact C-O 3.49Å; G288-N526 WeakPolarHBondContact CA-ND2 3.3Å; G288-N526 WeakPolarHBondContact CA-O 3.48Å; G288-N526 PolarHBondContact N-ND2 2.95Å; G289-N526 PolarHBondContact N-O 3.14Å; N526-T529 PolarHBondContact OD1-O 2.76Å; N526-K532 HydrophobicContact CB-CB 4.47Å; N526-K532 HydrophobicContact CB-CD 4.31Å; N526-K532 HydrophobicContact CB-CG 4.31Å; N526-K532 WeakPolarHBondContact ND2-CB 3.21Å
527	T	89.9	Confident	94.4	Very high	49 Å²	49	17.5 Å²	17.5	30%	0.301	9%	0.094	S	C	.	.	S	Bend	trans	-140.6	-20.9	-172.4	52.6	0	0	0	0	114.3	C525 D549 M626	C525-T527 PolarHBondContact SG-OG1 3.07Å; C525-T527 VanDerWaalsContact SG-OG1 3.34Å; T527-D549 PolarHBondContact N-OD2 3.42Å; T527-D549 PolarHBondContact OG1-OD2 3.44Å; T527-D549 VanDerWaalsContact OG1-OD2 3.13Å; T527-M626 HydrophobicContact CG2-CB 4.22Å; T527-M626 HydrophobicContact CG2-CG 3.79Å
528	T	87.5	Confident	94	Very high	57 Å²	57	17.9 Å²	17.9	35%	0.35	10%	0.098	S	C	.	.	S	Bend	trans	-93.9	-43.3	-172.1	-53.8	0	0	0	0	111.4	D549 I573 N637	T528-D549 WeakPolarHBondContact CB-OD2 3.2Å; T528-D549 PolarHBondContact N-OD2 3.34Å; T528-D549 PolarHBondContact OG1-OD2 2.97Å; T528-D549 VanDerWaalsContact OG1-OD2 3.05Å; T528-I573 HydrophobicContact CG2-CD1 3.79Å; T528-N637 WeakPolarHBondContact CG2-ND2 3.2Å; T528-N637 PolarHBondContact OG1-ND2 3.43Å
529	T	86.3	Confident	93	Very high	30 Å²	30	16.5 Å²	16.5	18%	0.184	10%	0.097	C	C	.	.			trans	-109.3	151.5	-179.2	69	0	0	0	0	110.8	N526 I531 K532 I573 N575	N526-T529 PolarHBondContact OD1-O 2.76Å; T529-I531 PolarHBondContact O-N 2.65Å; T529-I531 PolarHBondContact OG1-O 3.47Å; T529-K532 WeakPolarHBondContact OG1-CE 3.32Å; T529-K532 PolarHBondContact OG1-NZ 3.25Å; T529-I573 HydrophobicContact CG2-CD1 3.91Å; T529-I573 HydrophobicContact CG2-CG2 4.15Å; T529-N575 PolarHBondContact OG1-OD1 3.18Å
530	D	83.9	Confident	92	Very high	39 Å²	39	22.1 Å²	22.1	21%	0.209	12%	0.121	C	C	.	.	S	Bend	trans	-89.4	14	173.4	62.8	7.4	0	0	0	112.8	R136 K138 K188	R136-D530 IonicContact NH2-OD2 3.58Å; R136-D530 PolarHBondContact NH2-OD2 3.42Å; R136-D530 VanDerWaalsContact NH2-OD2 3.15Å; K138-D530 WeakPolarHBondContact CE-OD2 3.36Å; K138-D530 IonicContact NZ-OD1 3.79Å; K138-D530 PolarHBondContact NZ-OD1 3.13Å; K138-D530 IonicContact NZ-OD2 2.8Å; K138-D530 PolarHBondContact NZ-OD2 3.45Å; K188-D530 IonicContact NZ-OD2 2.98Å
531	I	87.7	Confident	91.5	Very high	25 Å²	25	21.8 Å²	21.8	13%	0.128	12%	0.119	C	C	.	.			trans	-131.6	107	179.7	49.1	167.3	0	0	0	109.8	N51 F94 T529 N575	N51-I531 HydrophobicContact CB-CD1 3.83Å; N51-I531 WeakPolarHBondContact OD1-CD1 3.37Å; F94-I531 HydrophobicContact CD1-CD1 4.41Å; T529-I531 PolarHBondContact O-N 2.65Å; T529-I531 PolarHBondContact OG1-O 3.47Å; I531-N575 HydrophobicContact CD1-CB 4.23Å; I531-N575 HydrophobicContact CG1-CB 4.36Å; I531-N575 PolarHBondContact O-OD1 3.33Å
532	K	95.4	Very high	91.2	Very high	1 Å²	1	24.1 Å²	24.1	0%	0.004	13%	0.13	C	C	.	.			trans	-146.6	105.4	176.7	-154.9	103.4	-32.7	-174.5	0	110.9	T272 Y273 N286 N526 T529 G547 D549 V574 N575	T272-K532 PolarHBondContact OG1-O 3.02Å; Y273-K532 WeakPolarHBondContact CB-O 3.43Å; N286-K532 WeakPolarHBondContact ND2-CB 3.37Å; N286-K532 WeakPolarHBondContact ND2-CG 3.46Å; N286-K532 PolarHBondContact ND2-O 2.88Å; N526-K532 HydrophobicContact CB-CB 4.47Å; N526-K532 HydrophobicContact CB-CD 4.31Å; N526-K532 HydrophobicContact CB-CG 4.31Å; N526-K532 WeakPolarHBondContact ND2-CB 3.21Å; T529-K532 WeakPolarHBondContact OG1-CE 3.32Å; T529-K532 PolarHBondContact OG1-NZ 3.25Å; K532-G547 WeakPolarHBondContact CD-O 3.24Å; K532-G547 WeakPolarHBondContact CG-O 3.42Å; K532-D549 IonicContact NZ-OD1 2.62Å; K532-D549 PolarHBondContact NZ-OD1 2.9Å; K532-V574 WeakPolarHBondContact CE-O 3.36Å; K532-V574 PolarHBondContact NZ-O 3.36Å; K532-N575 VanDerWaalsContact CE-OD1 3.23Å; K532-N575 WeakPolarHBondContact CE-OD1 3.27Å; K532-N575 PolarHBondContact NZ-OD1 3.27Å
533	E	97.7	Very high	91.1	Very high	4 Å²	4	23.7 Å²	23.7	2%	0.019	13%	0.126	C	C	.	.			trans	-73.7	145.6	-178.7	-57.1	-164.7	145	0	0	111.7	R139 Y273 S546 G547 N575 C576 L577 Q578	R139-E533 IonicContact CZ-OE1 3.09Å; R139-E533 IonicContact NH1-OE1 2.67Å; R139-E533 PolarHBondContact NH1-OE1 3.48Å; R139-E533 IonicContact NH2-OE1 2.69Å; R139-E533 PolarHBondContact NH2-OE1 2.79Å; Y273-E533 HydrophobicContact CD1-CB 4.48Å; Y273-E533 HydrophobicContact CD2-CB 4.04Å; Y273-E533 HydrophobicContact CD2-CG 3.67Å; Y273-E533 HydrophobicContact CE1-CB 4.41Å; Y273-E533 HydrophobicContact CE2-CB 3.92Å; Y273-E533 HydrophobicContact CE2-CG 3.43Å; Y273-E533 VanDerWaalsContact CE2-CG 3.43Å; Y273-E533 WeakPolarHBondContact CE2-OE1 3.19Å; Y273-E533 HydrophobicContact CG-CB 4.3Å; Y273-E533 HydrophobicContact CG-CG 4.41Å; E533-S546 PolarHBondContact O-OG 3.16Å; E533-G547 PolarHBondContact O-N 2.89Å; E533-N575 WeakPolarHBondContact CG-O 3.37Å; E533-N575 PolarHBondContact N-O 2.88Å; E533-C576 WeakPolarHBondContact OE2-CA 3.5Å; E533-L577 HydrophobicContact CB-CD1 4.2Å; E533-L577 WeakPolarHBondContact O-CD1 3.47Å; E533-L577 PolarHBondContact OE2-N 3.25Å; E533-Q578 VanDerWaalsContact CD-NE2 3.32Å; E533-Q578 PolarHBondContact OE1-NE2 2.77Å; E533-Q578 PolarHBondContact OE2-NE2 3.42Å
534	A	98.2	Very high	91.2	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.008	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	132.8	164	0	0	0	0	0	108.3	Y273 T275 L284 N286 V292 V545	Y273-A534 WeakPolarHBondContact CD1-O 3.22Å; Y273-A534 WeakPolarHBondContact CE1-O 3.41Å; T275-A534 VanDerWaalsContact CG2-O 3.29Å; T275-A534 WeakPolarHBondContact CG2-O 3.48Å; L284-A534 HydrophobicContact CD2-CB 4.01Å; N286-A534 HydrophobicContact CB-CB 3.87Å; V292-A534 HydrophobicContact CG1-CB 4.04Å; V292-A534 HydrophobicContact CG2-CB 4.29Å; A534-V545 CarbonylContact C-O 3.5Å; A534-V545 WeakPolarHBondContact CA-O 3.42Å
535	N	98.1	Very high	91.3	Very high	14 Å²	14	23.7 Å²	23.7	8%	0.075	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	154.9	-173.9	-82.3	-63.3	0	0	0	112.7	Y273 V545 L577 P579	Y273-N535 PolarHBondContact OH-ND2 3.11Å; N535-V545 HydrophobicContact CB-CG2 4.21Å; N535-V545 PolarHBondContact N-O 2.94Å; N535-V545 PolarHBondContact O-N 3Å; N535-L577 PolarHBondContact ND2-O 2.81Å; N535-P579 HydrophobicContact CB-CG 3.93Å
536	F	96.9	Very high	91.5	Very high	20 Å²	20	23.7 Å²	23.7	9%	0.088	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	135.1	166.3	-65.5	-91.3	0	0	0	109.1	T275 F276 S277 E282 L284 L294 I544 K558	T275-F536 HydrophobicContact CG2-CD2 4.11Å; T275-F536 HydrophobicContact CG2-CE2 4.13Å; F276-F536 VanDerWaalsContact C-CE2 3.42Å; S277-F536 VanDerWaalsContact CA-CE2 3.42Å; E282-F536 HydrophobicContact CB-CZ 4.4Å; L284-F536 HydrophobicContact CB-CD2 4.41Å; L284-F536 HydrophobicContact CB-CE2 3.58Å; L284-F536 HydrophobicContact CB-CZ 3.8Å; L284-F536 HydrophobicContact CD2-CD2 4.45Å; L284-F536 HydrophobicContact CD2-CE2 4.36Å; L294-F536 HydrophobicContact CD1-CE1 3.76Å; L294-F536 HydrophobicContact CD1-CZ 3.5Å; L294-F536 VanDerWaalsContact CD1-CZ 3.5Å; F536-I544 HydrophobicContact CD1-CD1 3.59Å; F536-I544 HydrophobicContact CE1-CD1 3.89Å; F536-I544 HydrophobicContact CG-CD1 4.2Å; F536-K558 HydrophobicContact CD1-CD 4.46Å; F536-K558 HydrophobicContact CE1-CD 4.17Å
537	F	94.4	Very high	91.7	Very high	2 Å²	2	23.7 Å²	23.7	1%	0.009	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	137	176.3	-172.5	-149.7	0	0	0	111.5	V29 I34 L37 Q542 Y543 V545 P579	V29-F537 HydrophobicContact CG1-CE1 4.38Å; V29-F537 HydrophobicContact CG1-CZ 4.47Å; V29-F537 HydrophobicContact CG2-CD2 4.09Å; V29-F537 HydrophobicContact CG2-CE2 3.65Å; V29-F537 HydrophobicContact CG2-CZ 3.97Å; I34-F537 HydrophobicContact CD1-CD1 3.65Å; I34-F537 HydrophobicContact CD1-CE1 3.29Å; I34-F537 HydrophobicContact CD1-CZ 4.24Å; L37-F537 HydrophobicContact CD2-CE1 4.23Å; F537-Q542 PolarHBondContact O-N 3.15Å; F537-Y543 PolarHBondContact N-O 2.92Å; F537-Y543 PolarHBondContact O-N 3.17Å; F537-V545 HydrophobicContact CB-CG1 3.83Å; F537-V545 HydrophobicContact CB-CG2 4.41Å; F537-V545 HydrophobicContact CD1-CG1 3.85Å; F537-V545 HydrophobicContact CG-CG1 4.19Å; F537-P579 HydrophobicContact CB-CG 4.3Å; F537-P579 HydrophobicContact CD2-CB 3.65Å; F537-P579 HydrophobicContact CD2-CG 4.17Å; F537-P579 HydrophobicContact CE2-CB 4.17Å; F537-P579 HydrophobicContact CG-CB 4.43Å; F537-P579 HydrophobicContact CG-CG 4.49Å
538	G	88.1	Confident	92	Very high	10 Å²	10	21.4 Å²	21.4	10%	0.103	11%	0.112	C	C	.	.	S	Bend	trans	88.1	163.8	-171.4	0	0	0	0	0	113.3	K540 G541 Q542	G538-K540 PolarHBondContact O-N 3.35Å; G538-G541 PolarHBondContact O-N 2.96Å; G538-Q542 VanDerWaalsContact C-OE1 3.27Å
539	S	75.1	Confident	92.4	Very high	35 Å²	35	18.7 Å²	18.7	25%	0.245	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-21.2	-164.8	58.4	0	0	0	0	115.6	R25 S26 H28	R25-S539 WeakPolarHBondContact O-CB 3.22Å; R25-S539 PolarHBondContact O-OG 2.89Å; S26-S539 PolarHBondContact O-OG 2.93Å; H28-S539 WeakPolarHBondContact NE2-CA 3.32Å; H28-S539 PolarHBondContact NE2-N 3.01Å
540	K	77.3	Confident	92.8	Very high	151 Å²	151	19.2 Å²	19.2	66%	0.657	10%	0.097	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.7	10.1	175	-61.2	180	-177.8	176.2	0	111	G538 Q542	G538-K540 PolarHBondContact O-N 3.35Å; K540-Q542 VanDerWaalsContact N-OE1 3.07Å; K540-Q542 PolarHBondContact O-N 3.24Å
541	G	87.9	Confident	93.3	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.087	C	C	.	.			trans	55.8	38.3	-167.6	0	0	0	0	0	111.7	G538 Y543 K558	G538-G541 PolarHBondContact O-N 2.96Å; G541-Y543 PolarHBondContact O-N 2.86Å; G541-K558 VanDerWaalsContact O-CD 3.22Å; G541-K558 WeakPolarHBondContact O-CD 3.25Å; G541-K558 WeakPolarHBondContact O-CE 3.15Å
542	Q	91.3	Very high	93.8	Very high	50 Å²	50	16.5 Å²	16.5	23%	0.234	8%	0.083	C	C	.	.			trans	-74.4	-14.7	-175.4	70.7	-84.8	18.2	0	0	113	V29 F537 G538 K540 K558	V29-Q542 PolarHBondContact O-NE2 2.9Å; F537-Q542 PolarHBondContact O-N 3.15Å; G538-Q542 VanDerWaalsContact C-OE1 3.27Å; K540-Q542 VanDerWaalsContact N-OE1 3.07Å; K540-Q542 PolarHBondContact O-N 3.24Å; Q542-K558 WeakPolarHBondContact O-CB 3.47Å; Q542-K558 PolarHBondContact O-N 3.25Å
543	Y	96.4	Very high	93.9	Very high	10 Å²	10	16.5 Å²	16.5	4%	0.039	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	156.8	168.2	-53.3	-81.8	0	0	0	110.7	V29 D31 I34 F537 G541 I555 W556 V564	V29-Y543 HydrophobicContact CG1-CD2 3.76Å; V29-Y543 HydrophobicContact CG1-CE2 3.69Å; D31-Y543 WeakPolarHBondContact CA-OH 3.46Å; D31-Y543 PolarHBondContact N-OH 2.79Å; D31-Y543 PolarHBondContact OD1-OH 3.03Å; I34-Y543 HydrophobicContact CD1-CD2 4.17Å; I34-Y543 HydrophobicContact CD1-CE2 4.31Å; I34-Y543 HydrophobicContact CG1-CD1 4.41Å; I34-Y543 HydrophobicContact CG1-CD2 3.96Å; I34-Y543 HydrophobicContact CG1-CE1 4.12Å; I34-Y543 HydrophobicContact CG1-CE2 3.65Å; I34-Y543 HydrophobicContact CG1-CG 4.34Å; F537-Y543 PolarHBondContact N-O 2.92Å; F537-Y543 PolarHBondContact O-N 3.17Å; G541-Y543 PolarHBondContact O-N 2.86Å; Y543-I555 HydrophobicContact CD1-CG2 4.39Å; Y543-I555 HydrophobicContact CG-CG2 4.45Å; Y543-W556 CarbonylContact C-O 3.53Å; Y543-W556 WeakPolarHBondContact CA-O 3.41Å; Y543-W556 WeakPolarHBondContact CB-O 3.31Å; Y543-V564 HydrophobicContact CD1-CG2 4.19Å; Y543-V564 HydrophobicContact CE1-CG2 4.44Å
544	I	98.3	Very high	94	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	138	169.7	-58.6	-57.6	0	0	0	107.7	L284 V292 Y521 F536 I555 W556 K558	L284-I544 HydrophobicContact CD1-CD1 4.05Å; L284-I544 HydrophobicContact CD1-CG1 4.43Å; L284-I544 HydrophobicContact CD1-CG2 4.06Å; L284-I544 HydrophobicContact CD2-CD1 4.13Å; L284-I544 HydrophobicContact CD2-CG2 3.9Å; V292-I544 HydrophobicContact CG1-CG2 4.46Å; Y521-I544 HydrophobicContact CD2-CG1 4.38Å; Y521-I544 HydrophobicContact CD2-CG2 4.26Å; Y521-I544 HydrophobicContact CE1-CB 4.47Å; Y521-I544 HydrophobicContact CE1-CG1 3.99Å; Y521-I544 HydrophobicContact CE2-CB 4.45Å; Y521-I544 HydrophobicContact CE2-CG1 3.81Å; Y521-I544 HydrophobicContact CE2-CG2 4.44Å; F536-I544 HydrophobicContact CD1-CD1 3.59Å; F536-I544 HydrophobicContact CE1-CD1 3.89Å; F536-I544 HydrophobicContact CG-CD1 4.2Å; I544-I555 CarbonylContact O-C 3.58Å; I544-I555 WeakPolarHBondContact O-CA 3.29Å; I544-W556 HydrophobicContact CB-CE3 4.43Å; I544-W556 HydrophobicContact CG2-CE3 4.3Å; I544-W556 PolarHBondContact N-O 3.03Å; I544-W556 PolarHBondContact O-N 2.84Å; I544-K558 HydrophobicContact CD1-CD 4.41Å; I544-K558 HydrophobicContact CD1-CG 4.21Å; I544-K558 HydrophobicContact CG1-CB 4.28Å; I544-K558 HydrophobicContact CG1-CG 4.18Å
545	V	98.5	Very high	94	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	144.2	173.6	-60.7	0	0	0	0	110.6	A534 N535 F537 F554 I555 L577 P579	A534-V545 CarbonylContact C-O 3.5Å; A534-V545 WeakPolarHBondContact CA-O 3.42Å; N535-V545 HydrophobicContact CB-CG2 4.21Å; N535-V545 PolarHBondContact N-O 2.94Å; N535-V545 PolarHBondContact O-N 3Å; F537-V545 HydrophobicContact CB-CG1 3.83Å; F537-V545 HydrophobicContact CB-CG2 4.41Å; F537-V545 HydrophobicContact CD1-CG1 3.85Å; F537-V545 HydrophobicContact CG-CG1 4.19Å; V545-F554 VanDerWaalsContact CA-O 3.26Å; V545-F554 WeakPolarHBondContact CA-O 3.22Å; V545-I555 HydrophobicContact CG1-CB 4.37Å; V545-I555 HydrophobicContact CG1-CD1 4.46Å; V545-I555 HydrophobicContact CG1-CG1 3.98Å; V545-I555 HydrophobicContact CG1-CG2 4.05Å; V545-L577 HydrophobicContact CB-CD2 4.17Å; V545-L577 HydrophobicContact CG2-CB 4.32Å; V545-L577 HydrophobicContact CG2-CD2 4.27Å; V545-P579 HydrophobicContact CG2-CG 4.03Å
546	S	98.4	Very high	94	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	145	176.6	-170.8	0	0	0	0	111.3	N286 H524 E533 F553 F554	N286-S546 PolarHBondContact ND2-OG 3.29Å; H524-S546 PolarHBondContact CD2-OG 2.88Å; E533-S546 PolarHBondContact O-OG 3.16Å; S546-F553 CarbonylContact O-C 3.58Å; S546-F553 VanDerWaalsContact O-CA 3.27Å; S546-F553 WeakPolarHBondContact O-CA 3.24Å; S546-F553 WeakPolarHBondContact O-CB 3.47Å; S546-F554 PolarHBondContact N-O 3.02Å; S546-F554 PolarHBondContact O-N 3Å
547	G	97.9	Very high	94	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	164.9	174.9	0	0	0	0	0	111.5	H524 K532 E533 L577	H524-G547 PolarHBondContact CD2-O 2.82Å; K532-G547 WeakPolarHBondContact CD-O 3.24Å; K532-G547 WeakPolarHBondContact CG-O 3.42Å; E533-G547 PolarHBondContact O-N 2.89Å; G547-L577 VanDerWaalsContact CA-CD1 3.46Å
548	S	97.6	Very high	94.1	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.091	C	C	.	.			trans	-144.3	155.7	-175.7	-177.8	0	0	0	0	112.1	C525 D550 S552 V574 N622	C525-S548 PolarHBondContact N-OG 3Å; C525-S548 CarbonylContact O-C 3.55Å; C525-S548 WeakPolarHBondContact O-CA 3.17Å; S548-D550 WeakPolarHBondContact CB-OD1 3.36Å; S548-D550 PolarHBondContact O-N 2.9Å; S548-D550 VanDerWaalsContact OG-CG 3.29Å; S548-D550 PolarHBondContact OG-OD1 2.87Å; S548-S552 VanDerWaalsContact CB-O 3.26Å; S548-S552 WeakPolarHBondContact CB-O 3.47Å; S548-S552 PolarHBondContact N-O 2.94Å; S548-V574 PolarHBondContact N-O 3.43Å; S548-V574 PolarHBondContact O-N 2.79Å; S548-N622 PolarHBondContact OG-ND2 3.29Å
549	D	94.8	Very high	94.4	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.005	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	11.3	176.2	-64.9	-14.6	0	0	0	113.9	C525 T527 T528 K532 S572	C525-D549 HydrophobicContact CB-CB 4.21Å; C525-D549 PolarHBondContact O-N 3.33Å; T527-D549 PolarHBondContact N-OD2 3.42Å; T527-D549 PolarHBondContact OG1-OD2 3.44Å; T527-D549 VanDerWaalsContact OG1-OD2 3.13Å; T528-D549 WeakPolarHBondContact CB-OD2 3.2Å; T528-D549 PolarHBondContact N-OD2 3.34Å; T528-D549 PolarHBondContact OG1-OD2 2.97Å; T528-D549 VanDerWaalsContact OG1-OD2 3.05Å; K532-D549 IonicContact NZ-OD1 2.62Å; K532-D549 PolarHBondContact NZ-OD1 2.9Å; D549-S572 CarbonylContact C-O 3.37Å; D549-S572 VanDerWaalsContact O-O 3.04Å
550	D	94.4	Very high	95.5	Very high	41 Å²	41	19.1 Å²	19.1	22%	0.219	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.4	16.2	173.9	66.7	-11.7	0	0	0	112.2	S548 S552 S572 N622	S548-D550 WeakPolarHBondContact CB-OD1 3.36Å; S548-D550 PolarHBondContact O-N 2.9Å; S548-D550 VanDerWaalsContact OG-CG 3.29Å; S548-D550 PolarHBondContact OG-OD1 2.87Å; D550-S552 PolarHBondContact O-N 3.19Å; D550-S552 WeakPolarHBondContact OD1-CB 3.47Å; D550-S552 PolarHBondContact OD1-N 2.89Å; D550-S572 CarbonylContact C-O 3.56Å; D550-S572 PolarHBondContact N-O 3.04Å; D550-N622 PolarHBondContact OD2-ND2 3.34Å; D550-N622 PolarHBondContact OD2-OD1 3.26Å
551	G	95.5	Very high	96.4	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.065	C	C	.	.	S	Bend	trans	75	0.3	-177.7	0	0	0	0	0	113.5	G569 D570 S572 V574	G551-G569 WeakPolarHBondContact O-CA 3.28Å; G551-G569 PolarHBondContact O-N 3.47Å; G551-D570 CarbonylContact C-O 3.49Å; G551-D570 WeakPolarHBondContact CA-O 3.45Å; G551-D570 PolarHBondContact O-N 3.27Å; G551-D570 VanDerWaalsContact O-O 3.09Å; G551-S572 VanDerWaalsContact CA-C 3.42Å; G551-S572 WeakPolarHBondContact CA-O 3.39Å; G551-S572 VanDerWaalsContact N-C 3.29Å; G551-S572 PolarHBondContact N-O 3.13Å; G551-V574 VanDerWaalsContact O-CG2 3.31Å; G551-V574 WeakPolarHBondContact O-CG2 3.37Å
552	S	97.6	Very high	96.9	Very high	7 Å²	7	14.3 Å²	14.3	5%	0.049	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	166.9	-178.8	-59.4	0	0	0	0	112.8	S548 D550 L567	S548-S552 VanDerWaalsContact CB-O 3.26Å; S548-S552 WeakPolarHBondContact CB-O 3.47Å; S548-S552 PolarHBondContact N-O 2.94Å; D550-S552 PolarHBondContact O-N 3.19Å; D550-S552 WeakPolarHBondContact OD1-CB 3.47Å; D550-S552 PolarHBondContact OD1-N 2.89Å; S552-L567 CarbonylContact C-O 3.55Å; S552-L567 VanDerWaalsContact CA-O 3.26Å; S552-L567 WeakPolarHBondContact CA-O 3.18Å; S552-L567 WeakPolarHBondContact CB-O 3.26Å
553	F	98.3	Very high	97.1	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	149.6	161.4	66.6	-85.7	0	0	0	111.2	L37 S546 I555 I566 L567 L577 L586 T588 W598	L37-F553 HydrophobicContact CD2-CE2 4.49Å; S546-F553 CarbonylContact O-C 3.58Å; S546-F553 VanDerWaalsContact O-CA 3.27Å; S546-F553 WeakPolarHBondContact O-CA 3.24Å; S546-F553 WeakPolarHBondContact O-CB 3.47Å; F553-I555 HydrophobicContact CD2-CG1 4.19Å; F553-I555 HydrophobicContact CE2-CD1 4.02Å; F553-I555 HydrophobicContact CE2-CG1 4.18Å; F553-I566 WeakPolarHBondContact O-CA 3.33Å; F553-L567 HydrophobicContact CD1-CB 4.02Å; F553-L567 VanDerWaalsContact CD1-O 3.27Å; F553-L567 WeakPolarHBondContact CD1-O 3.43Å; F553-L567 HydrophobicContact CE1-CB 3.42Å; F553-L567 VanDerWaalsContact CE1-CB 3.42Å; F553-L567 HydrophobicContact CE1-CD1 4.2Å; F553-L567 HydrophobicContact CE1-CG 4.44Å; F553-L567 HydrophobicContact CE2-CB 4.03Å; F553-L567 HydrophobicContact CE2-CD1 3.77Å; F553-L567 HydrophobicContact CE2-CG 4.41Å; F553-L567 HydrophobicContact CZ-CB 3.45Å; F553-L567 VanDerWaalsContact CZ-CB 3.45Å; F553-L567 HydrophobicContact CZ-CD1 3.36Å; F553-L567 HydrophobicContact CZ-CG 4Å; F553-L567 PolarHBondContact N-O 2.96Å; F553-L567 PolarHBondContact O-N 3.44Å; F553-L577 HydrophobicContact CB-CD2 3.55Å; F553-L577 HydrophobicContact CD2-CD2 4.14Å; F553-L577 HydrophobicContact CG-CD2 4.03Å; F553-L586 HydrophobicContact CD2-CD2 4.18Å; F553-L586 HydrophobicContact CE2-CD2 3.56Å; F553-L586 HydrophobicContact CZ-CD2 3.89Å; F553-T588 HydrophobicContact CD1-CG2 4.35Å; F553-T588 HydrophobicContact CE1-CG2 4.33Å; F553-W598 AromaticContact CE1-CD2 3.86Å; F553-W598 HydrophobicContact CE1-CD2 3.86Å; F553-W598 AromaticContact CE1-CE2 3.62Å; F553-W598 HydrophobicContact CE1-CE3 4.02Å; F553-W598 AromaticContact CE1-CH2 3.87Å; F553-W598 HydrophobicContact CE1-CH2 3.87Å; F553-W598 AromaticContact CE1-CZ2 3.66Å; F553-W598 HydrophobicContact CE1-CZ2 3.66Å; F553-W598 HydrophobicContact CE1-CZ3 4.02Å; F553-W598 AromaticContact CZ-CD2 3.77Å; F553-W598 HydrophobicContact CZ-CD2 3.77Å; F553-W598 AromaticContact CZ-CE3 3.9Å; F553-W598 HydrophobicContact CZ-CE3 3.9Å; F553-W598 HydrophobicContact CZ-CG 4.22Å; F553-W598 HydrophobicContact CZ-CZ2 4.42Å; F553-W598 HydrophobicContact CZ-CZ3 4.29Å
554	F	98.6	Very high	97.1	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	140.3	-169.9	-73.1	-113.9	0	0	0	109.3	G523 H524 V545 S546 W556 L563 I566 N622	G523-F554 VanDerWaalsContact C-CE1 3.45Å; G523-F554 WeakPolarHBondContact O-CE1 3.45Å; G523-F554 VanDerWaalsContact O-CZ 3.26Å; G523-F554 WeakPolarHBondContact O-CZ 3.25Å; H524-F554 HydrophobicContact CB-CD2 3.81Å; H524-F554 HydrophobicContact CB-CE2 4.21Å; H524-F554 HydrophobicContact CB-CG 4.05Å; V545-F554 VanDerWaalsContact CA-O 3.26Å; V545-F554 WeakPolarHBondContact CA-O 3.22Å; S546-F554 PolarHBondContact N-O 3.02Å; S546-F554 PolarHBondContact O-N 3Å; F554-W556 HydrophobicContact CB-CD2 4.43Å; F554-W556 HydrophobicContact CB-CE3 4.18Å; F554-W556 HydrophobicContact CB-CH2 3.18Å; F554-W556 HydrophobicContact CB-CZ2 3.44Å; F554-W556 VanDerWaalsContact CB-CZ2 3.44Å; F554-W556 HydrophobicContact CB-CZ3 3.57Å; F554-W556 HydrophobicContact CD1-CH2 4.46Å; F554-W556 AromaticContact CD1-CZ2 3.96Å; F554-W556 HydrophobicContact CD1-CZ2 3.96Å; F554-W556 HydrophobicContact CG-CH2 4.02Å; F554-W556 AromaticContact CG-CZ2 3.98Å; F554-W556 HydrophobicContact CG-CZ2 3.98Å; F554-W556 WeakPolarHBondContact O-CZ3 2.87Å; F554-L563 HydrophobicContact CB-CD1 4.16Å; F554-L563 HydrophobicContact CD1-CD1 3.7Å; F554-L563 HydrophobicContact CD1-CD2 4.11Å; F554-L563 HydrophobicContact CE1-CD2 4.29Å; F554-L563 HydrophobicContact CG-CD1 4.39Å; F554-I566 HydrophobicContact CD1-CD1 3.96Å; F554-I566 HydrophobicContact CD1-CG1 3.77Å; F554-I566 HydrophobicContact CD2-CG2 4.45Å; F554-I566 HydrophobicContact CE1-CD1 3.44Å; F554-I566 VanDerWaalsContact CE1-CD1 3.44Å; F554-I566 HydrophobicContact CE1-CG1 3.77Å; F554-I566 HydrophobicContact CE2-CG2 4.17Å; F554-I566 HydrophobicContact CG-CG1 4.27Å; F554-I566 HydrophobicContact CZ-CD1 3.87Å; F554-I566 HydrophobicContact CZ-CG1 4.27Å; F554-I566 HydrophobicContact CZ-CG2 4.19Å; F554-N622 VanDerWaalsContact CZ-ND2 3.27Å; F554-N622 WeakPolarHBondContact CZ-ND2 3.22Å
555	I	98.4	Very high	97	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	122.9	177.2	-45.7	-174.6	0	0	0	108.6	I34 L37 Y543 I544 V545 F553 L563 V564 R565	I34-I555 HydrophobicContact CG2-CD1 4.42Å; I34-I555 HydrophobicContact CG2-CG2 4.21Å; L37-I555 HydrophobicContact CD2-CD1 3.72Å; Y543-I555 HydrophobicContact CD1-CG2 4.39Å; Y543-I555 HydrophobicContact CG-CG2 4.45Å; I544-I555 CarbonylContact O-C 3.58Å; I544-I555 WeakPolarHBondContact O-CA 3.29Å; V545-I555 HydrophobicContact CG1-CB 4.37Å; V545-I555 HydrophobicContact CG1-CD1 4.46Å; V545-I555 HydrophobicContact CG1-CG1 3.98Å; V545-I555 HydrophobicContact CG1-CG2 4.05Å; F553-I555 HydrophobicContact CD2-CG1 4.19Å; F553-I555 HydrophobicContact CE2-CD1 4.02Å; F553-I555 HydrophobicContact CE2-CG1 4.18Å; I555-L563 WeakPolarHBondContact O-CD1 3.48Å; I555-V564 HydrophobicContact CB-CG2 3.93Å; I555-V564 HydrophobicContact CG2-CG2 3.65Å; I555-V564 WeakPolarHBondContact O-CG2 3.24Å; I555-V564 PolarHBondContact O-N 3Å; I555-R565 HydrophobicContact CB-CB 4.35Å; I555-R565 HydrophobicContact CD1-CB 4.31Å; I555-R565 HydrophobicContact CG1-CB 4.46Å; I555-R565 PolarHBondContact N-O 3.2Å; I555-R565 PolarHBondContact O-N 3.26Å
556	W	98.4	Very high	96.9	Very high	2 Å²	2	16 Å²	16	1%	0.008	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	150.9	175.2	-57	-98.5	0	0	0	111.3	Y521 C522 H524 Y543 I544 F554 N562 L563	Y521-W556 HydrophobicContact CD1-CB 3.59Å; Y521-W556 HydrophobicContact CD1-CD2 4.33Å; Y521-W556 AromaticContact CD1-CG 3.83Å; Y521-W556 HydrophobicContact CD1-CG 3.83Å; Y521-W556 HydrophobicContact CE1-CB 4.22Å; Y521-W556 HydrophobicContact CG-CB 4.43Å; Y521-W556 HydrophobicContact CG-CD2 4.36Å; Y521-W556 HydrophobicContact CG-CG 4.31Å; C522-W556 PolarHBondContact O-NE1 2.65Å; H524-W556 HydrophobicContact CB-CH2 4Å; H524-W556 HydrophobicContact CB-CZ2 4.37Å; Y543-W556 CarbonylContact C-O 3.53Å; Y543-W556 WeakPolarHBondContact CA-O 3.41Å; Y543-W556 WeakPolarHBondContact CB-O 3.31Å; I544-W556 HydrophobicContact CB-CE3 4.43Å; I544-W556 HydrophobicContact CG2-CE3 4.3Å; I544-W556 PolarHBondContact N-O 3.03Å; I544-W556 PolarHBondContact O-N 2.84Å; F554-W556 HydrophobicContact CB-CD2 4.43Å; F554-W556 HydrophobicContact CB-CE3 4.18Å; F554-W556 HydrophobicContact CB-CH2 3.18Å; F554-W556 HydrophobicContact CB-CZ2 3.44Å; F554-W556 VanDerWaalsContact CB-CZ2 3.44Å; F554-W556 HydrophobicContact CB-CZ3 3.57Å; F554-W556 HydrophobicContact CD1-CH2 4.46Å; F554-W556 AromaticContact CD1-CZ2 3.96Å; F554-W556 HydrophobicContact CD1-CZ2 3.96Å; F554-W556 HydrophobicContact CG-CH2 4.02Å; F554-W556 AromaticContact CG-CZ2 3.98Å; F554-W556 HydrophobicContact CG-CZ2 3.98Å; F554-W556 WeakPolarHBondContact O-CZ3 2.87Å; W556-N562 CarbonylContact C-O 3.24Å; W556-N562 VanDerWaalsContact CA-O 3.24Å; W556-N562 WeakPolarHBondContact CA-O 3.47Å; W556-L563 HydrophobicContact CD2-CD1 4.34Å; W556-L563 HydrophobicContact CG-CD1 4.34Å
557	E	97	Very high	96.9	Very high	56 Å²	56	16 Å²	16	26%	0.262	8%	0.082	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	129.3	161.2	-173.3	-166.2	-166.6	0	0	109.4	E559 T560 T561 N562 V564	E557-E559 PolarHBondContact O-N 2.88Å; E557-T560 VanDerWaalsContact OE2-CB 3.3Å; E557-T560 WeakPolarHBondContact OE2-CB 3.49Å; E557-T560 WeakPolarHBondContact OE2-CG2 3.42Å; E557-T560 PolarHBondContact OE2-OG1 3.15Å; E557-T561 VanDerWaalsContact O-CA 3.26Å; E557-T561 WeakPolarHBondContact O-CA 3.18Å; E557-T561 PolarHBondContact O-N 3.38Å; E557-N562 PolarHBondContact N-O 3.41Å; E557-V564 HydrophobicContact CB-CG1 4.07Å
558	K	96.2	Very high	96.9	Very high	21 Å²	21	19.8 Å²	19.8	9%	0.091	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-47.7	-171.1	-172.2	-176.9	63.1	171.8	0	112.9	E282 L294 Y521 F536 G541 Q542 I544	E282-K558 IonicContact OE1-NZ 3.47Å; E282-K558 IonicContact OE2-NZ 3.44Å; E282-K558 PolarHBondContact OE2-NZ 3.22Å; L294-K558 HydrophobicContact CD2-CD 4Å; L294-K558 HydrophobicContact CD2-CG 4.12Å; Y521-K558 WeakPolarHBondContact CE1-O 2.98Å; Y521-K558 WeakPolarHBondContact OH-CG 3.31Å; Y521-K558 PolarHBondContact OH-O 2.96Å; F536-K558 HydrophobicContact CD1-CD 4.46Å; F536-K558 HydrophobicContact CE1-CD 4.17Å; G541-K558 VanDerWaalsContact O-CD 3.22Å; G541-K558 WeakPolarHBondContact O-CD 3.25Å; G541-K558 WeakPolarHBondContact O-CE 3.15Å; Q542-K558 WeakPolarHBondContact O-CB 3.47Å; Q542-K558 PolarHBondContact O-N 3.25Å; I544-K558 HydrophobicContact CD1-CD 4.41Å; I544-K558 HydrophobicContact CD1-CG 4.21Å; I544-K558 HydrophobicContact CG1-CB 4.28Å; I544-K558 HydrophobicContact CG1-CG 4.18Å
559	E	95.1	Very high	96.7	Very high	60 Å²	60	19.8 Å²	19.8	28%	0.28	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-39.9	-168.1	-66	-70.4	139.9	0	0	113.5	R387 H519 E557	R387-E559 IonicContact NH2-OE2 3.43Å; R387-E559 PolarHBondContact NH2-OE2 3.12Å; H519-E559 PolarHBondContact CE1-O 3.3Å; H519-E559 VanDerWaalsContact CE1-O 3.3Å; E557-E559 PolarHBondContact O-N 2.88Å
560	T	96.8	Very high	96.7	Very high	3 Å²	3	19.7 Å²	19.7	2%	0.018	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-15.9	179	66	0	0	0	0	112.7	S380 H384 E557 N562	S380-T560 VanDerWaalsContact CB-O 3.23Å; S380-T560 WeakPolarHBondContact CB-O 3.35Å; S380-T560 PolarHBondContact OG-O 2.94Å; H384-T560 HydrophobicContact CB-CG2 3.91Å; E557-T560 VanDerWaalsContact OE2-CB 3.3Å; E557-T560 WeakPolarHBondContact OE2-CB 3.49Å; E557-T560 WeakPolarHBondContact OE2-CG2 3.42Å; E557-T560 PolarHBondContact OE2-OG1 3.15Å; T560-N562 PolarHBondContact O-N 2.76Å; T560-N562 PolarHBondContact O-OD1 3.25Å; T560-N562 VanDerWaalsContact OG1-CB 3.31Å; T560-N562 WeakPolarHBondContact OG1-CB 3.32Å; T560-N562 PolarHBondContact OG1-N 2.91Å; T560-N562 VanDerWaalsContact OG1-N 3.15Å
561	T	97.8	Very high	96.4	Very high	26 Å²	26	25.2 Å²	25.2	16%	0.16	12%	0.124	C	C	.	.			trans	60.3	15.9	-170.2	77.6	0	0	0	0	113.8	H519 Y521 E557	H519-T561 HydrophobicContact CB-CG2 3.81Å; Y521-T561 HydrophobicContact CD1-CG2 4.2Å; Y521-T561 HydrophobicContact CE1-CG2 3.85Å; E557-T561 VanDerWaalsContact O-CA 3.26Å; E557-T561 WeakPolarHBondContact O-CA 3.18Å; E557-T561 PolarHBondContact O-N 3.38Å
562	N	97.3	Very high	96.2	Very high	23 Å²	23	27.1 Å²	27.1	12%	0.123	14%	0.137	C	C	.	.			trans	-72.9	132.7	179.7	-71	-11.7	0	0	0	110.2	Q377 W556 E557 T560 V564	Q377-N562 WeakPolarHBondContact CA-OD1 3.14Å; Q377-N562 WeakPolarHBondContact CB-OD1 3.45Å; Q377-N562 HydrophobicContact CG-CB 4.43Å; Q377-N562 PolarHBondContact O-ND2 2.8Å; Q377-N562 VanDerWaalsContact O-ND2 3.09Å; Q377-N562 PolarHBondContact O-OD1 3.4Å; W556-N562 CarbonylContact C-O 3.24Å; W556-N562 VanDerWaalsContact CA-O 3.24Å; W556-N562 WeakPolarHBondContact CA-O 3.47Å; E557-N562 PolarHBondContact N-O 3.41Å; T560-N562 PolarHBondContact O-N 2.76Å; T560-N562 PolarHBondContact O-OD1 3.25Å; T560-N562 VanDerWaalsContact OG1-CB 3.31Å; T560-N562 WeakPolarHBondContact OG1-CB 3.32Å; T560-N562 PolarHBondContact OG1-N 2.91Å; T560-N562 VanDerWaalsContact OG1-N 3.15Å; N562-V564 PolarHBondContact O-N 3.41Å
563	L	96.8	Very high	96	Very high	21 Å²	21	27.2 Å²	27.2	11%	0.11	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	118.7	172	-177.8	60.2	0	0	0	108.4	F554 I555 W556 I566 M615	F554-L563 HydrophobicContact CB-CD1 4.16Å; F554-L563 HydrophobicContact CD1-CD1 3.7Å; F554-L563 HydrophobicContact CD1-CD2 4.11Å; F554-L563 HydrophobicContact CE1-CD2 4.29Å; F554-L563 HydrophobicContact CG-CD1 4.39Å; I555-L563 WeakPolarHBondContact O-CD1 3.48Å; W556-L563 HydrophobicContact CD2-CD1 4.34Å; W556-L563 HydrophobicContact CG-CD1 4.34Å; L563-I566 HydrophobicContact CD1-CG1 4.06Å; L563-I566 HydrophobicContact CD2-CD1 3.87Å; L563-I566 HydrophobicContact CD2-CG1 4.02Å; L563-I566 HydrophobicContact CG-CG1 4.3Å; L563-M615 HydrophobicContact CD2-CB 4.18Å; L563-M615 HydrophobicContact CG-SD 4.39Å
564	V	95.5	Very high	96	Very high	51 Å²	51	27.2 Å²	27.2	31%	0.309	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	-28.5	-176	-61.9	0	0	0	0	112.5	I34 Y543 I555 E557 N562	I34-V564 HydrophobicContact CG2-CG2 3.88Å; Y543-V564 HydrophobicContact CD1-CG2 4.19Å; Y543-V564 HydrophobicContact CE1-CG2 4.44Å; I555-V564 HydrophobicContact CB-CG2 3.93Å; I555-V564 HydrophobicContact CG2-CG2 3.65Å; I555-V564 WeakPolarHBondContact O-CG2 3.24Å; I555-V564 PolarHBondContact O-N 3Å; E557-V564 HydrophobicContact CB-CG1 4.07Å; N562-V564 PolarHBondContact O-N 3.41Å
565	R	95.6	Very high	95.9	Very high	24 Å²	24	27.3 Å²	27.3	9%	0.091	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	150.4	178.8	-157.5	168.1	-164.7	175.3	6.1	112.8	I34 K35 R36 L37 I555 L567 N608	I34-R565 VanDerWaalsContact O-CD 3.26Å; I34-R565 WeakPolarHBondContact O-CD 3.37Å; I34-R565 PolarHBondContact O-NH1 3.45Å; K35-R565 PolarHBondContact O-NH1 3.44Å; K35-R565 PolarHBondContact O-NH2 3.01Å; R36-R565 VanDerWaalsContact N-NH1 3.17Å; L37-R565 PolarHBondContact O-NH1 3.42Å; L37-R565 PolarHBondContact O-NH2 3.41Å; I555-R565 HydrophobicContact CB-CB 4.35Å; I555-R565 HydrophobicContact CD1-CB 4.31Å; I555-R565 HydrophobicContact CG1-CB 4.46Å; I555-R565 PolarHBondContact N-O 3.2Å; I555-R565 PolarHBondContact O-N 3.26Å; R565-L567 HydrophobicContact CG-CG 4.3Å; R565-N608 PolarHBondContact NH2-ND2 3.1Å
566	I	97.9	Very high	95.8	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	136	166.5	-54.9	171.4	0	0	0	108.2	F553 F554 L563 V612 M615 A618	F553-I566 WeakPolarHBondContact O-CA 3.33Å; F554-I566 HydrophobicContact CD1-CD1 3.96Å; F554-I566 HydrophobicContact CD1-CG1 3.77Å; F554-I566 HydrophobicContact CD2-CG2 4.45Å; F554-I566 HydrophobicContact CE1-CD1 3.44Å; F554-I566 VanDerWaalsContact CE1-CD1 3.44Å; F554-I566 HydrophobicContact CE1-CG1 3.77Å; F554-I566 HydrophobicContact CE2-CG2 4.17Å; F554-I566 HydrophobicContact CG-CG1 4.27Å; F554-I566 HydrophobicContact CZ-CD1 3.87Å; F554-I566 HydrophobicContact CZ-CG1 4.27Å; F554-I566 HydrophobicContact CZ-CG2 4.19Å; L563-I566 HydrophobicContact CD1-CG1 4.06Å; L563-I566 HydrophobicContact CD2-CD1 3.87Å; L563-I566 HydrophobicContact CD2-CG1 4.02Å; L563-I566 HydrophobicContact CG-CG1 4.3Å; I566-V612 HydrophobicContact CB-CB 3.95Å; I566-V612 HydrophobicContact CB-CG2 4.4Å; I566-V612 HydrophobicContact CG2-CB 3.81Å; I566-V612 HydrophobicContact CG2-CG1 4.43Å; I566-V612 HydrophobicContact CG2-CG2 3.76Å; I566-V612 PolarHBondContact O-N 3.46Å; I566-M615 HydrophobicContact CB-CG 4.38Å; I566-M615 HydrophobicContact CD1-CB 3.69Å; I566-M615 HydrophobicContact CD1-CG 3.74Å; I566-M615 HydrophobicContact CG1-CB 4.34Å; I566-M615 HydrophobicContact CG1-CG 3.93Å; I566-M615 HydrophobicContact CG1-SD 4.38Å; I566-A618 HydrophobicContact CD1-CB 3.9Å
567	L	97.6	Very high	95.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	131.5	179	-70.6	168.2	0	0	0	109.2	L37 S552 F553 R565 G569 W598 R610 V611	L37-L567 HydrophobicContact CB-CD1 4.31Å; L37-L567 HydrophobicContact CD2-CD1 3.89Å; L37-L567 HydrophobicContact CG-CD1 4.06Å; S552-L567 CarbonylContact C-O 3.55Å; S552-L567 VanDerWaalsContact CA-O 3.26Å; S552-L567 WeakPolarHBondContact CA-O 3.18Å; S552-L567 WeakPolarHBondContact CB-O 3.26Å; F553-L567 HydrophobicContact CD1-CB 4.02Å; F553-L567 VanDerWaalsContact CD1-O 3.27Å; F553-L567 WeakPolarHBondContact CD1-O 3.43Å; F553-L567 HydrophobicContact CE1-CB 3.42Å; F553-L567 VanDerWaalsContact CE1-CB 3.42Å; F553-L567 HydrophobicContact CE1-CD1 4.2Å; F553-L567 HydrophobicContact CE1-CG 4.44Å; F553-L567 HydrophobicContact CE2-CB 4.03Å; F553-L567 HydrophobicContact CE2-CD1 3.77Å; F553-L567 HydrophobicContact CE2-CG 4.41Å; F553-L567 HydrophobicContact CZ-CB 3.45Å; F553-L567 VanDerWaalsContact CZ-CB 3.45Å; F553-L567 HydrophobicContact CZ-CD1 3.36Å; F553-L567 HydrophobicContact CZ-CG 4Å; F553-L567 PolarHBondContact N-O 2.96Å; F553-L567 PolarHBondContact O-N 3.44Å; R565-L567 HydrophobicContact CG-CG 4.3Å; L567-G569 PolarHBondContact O-N 3.22Å; L567-W598 HydrophobicContact CB-CZ3 4.21Å; L567-W598 HydrophobicContact CD1-CE3 4.14Å; L567-W598 HydrophobicContact CD1-CZ3 4.41Å; L567-R610 CarbonylContact C-O 3.47Å; L567-R610 WeakPolarHBondContact CA-O 3.31Å; L567-V611 HydrophobicContact CD2-CB 4.39Å; L567-V611 HydrophobicContact CD2-CG2 3.65Å
568	Q	96.9	Very high	95.8	Very high	79 Å²	79	25.4 Å²	25.4	37%	0.369	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	108	174.7	-171.7	175.7	17.9	0	0	109.3	W598 R610	Q568-W598 VanDerWaalsContact O-CH2 3.28Å; Q568-W598 WeakPolarHBondContact O-CH2 3.39Å; Q568-R610 HydrophobicContact CB-CB 4.47Å; Q568-R610 PolarHBondContact N-O 2.98Å; Q568-R610 WeakPolarHBondContact O-CD 3.45Å
569	G	94.9	Very high	95.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.131	C	C	.	.			trans	-86	-56.9	-179.4	0	0	0	0	0	112.4	G551 L567 R596	G551-G569 WeakPolarHBondContact O-CA 3.28Å; G551-G569 PolarHBondContact O-N 3.47Å; L567-G569 PolarHBondContact O-N 3.22Å; G569-R596 WeakPolarHBondContact O-CD 3.47Å; G569-R596 PolarHBondContact O-NE 3.49Å; G569-R596 PolarHBondContact O-NH1 2.87Å
570	D	93.6	Very high	95.8	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.119	C	C	.	.	S	Bend	trans	-122.9	172.1	-174.7	-79.9	35.6	0	0	0	110.1	G551 I573 V574 G590 I591 D592 R596	G551-D570 CarbonylContact C-O 3.49Å; G551-D570 WeakPolarHBondContact CA-O 3.45Å; G551-D570 PolarHBondContact O-N 3.27Å; G551-D570 VanDerWaalsContact O-O 3.09Å; D570-I573 WeakPolarHBondContact CB-O 3.41Å; D570-V574 HydrophobicContact CB-CG2 3.99Å; D570-G590 WeakPolarHBondContact OD2-CA 3.22Å; D570-G590 PolarHBondContact OD2-N 2.82Å; D570-I591 PolarHBondContact OD2-N 2.95Å; D570-D592 PolarHBondContact OD2-N 2.92Å; D570-R596 IonicContact OD1-CZ 2.72Å; D570-R596 IonicContact OD1-NH1 3.3Å; D570-R596 PolarHBondContact OD1-NH1 2.86Å; D570-R596 IonicContact OD2-NH1 2.79Å
571	E	89.4	Confident	95.3	Very high	157 Å²	157	25.5 Å²	25.5	73%	0.734	14%	0.136	S	C	*	.	S	Bend	trans	-67.4	-36.9	178.1	-68.4	-172.1	170.7	0	0	112.7	D592	E571-D592 PolarHBondContact N-OD2 2.88Å
572	S	89.9	Confident	94.7	Very high	39 Å²	39	25.4 Å²	25.4	27%	0.273	14%	0.137	S	C	.	.	S	Bend	trans	-133.7	-36.3	-178.7	74.5	0	0	0	0	116	D549 D550 G551 I591	D549-S572 CarbonylContact C-O 3.37Å; D549-S572 VanDerWaalsContact O-O 3.04Å; D550-S572 CarbonylContact C-O 3.56Å; D550-S572 PolarHBondContact N-O 3.04Å; G551-S572 VanDerWaalsContact CA-C 3.42Å; G551-S572 WeakPolarHBondContact CA-O 3.39Å; G551-S572 VanDerWaalsContact N-C 3.29Å; G551-S572 PolarHBondContact N-O 3.13Å; S572-I591 WeakPolarHBondContact OG-CD1 3.4Å; S572-I591 VanDerWaalsContact OG-CG1 3.24Å; S572-I591 WeakPolarHBondContact OG-CG1 2.96Å
573	I	95.1	Very high	94.2	Very high	9 Å²	9	29.1 Å²	29.1	5%	0.046	15%	0.15	C	C	.	.			trans	-146.4	126.9	-174.4	-57	-178	0	0	0	110.3	T528 T529 D570 N575 G590 I591	T528-I573 HydrophobicContact CG2-CD1 3.79Å; T529-I573 HydrophobicContact CG2-CD1 3.91Å; T529-I573 HydrophobicContact CG2-CG2 4.15Å; D570-I573 WeakPolarHBondContact CB-O 3.41Å; I573-N575 VanDerWaalsContact CG2-OD1 3.24Å; I573-N575 WeakPolarHBondContact CG2-OD1 3.44Å; I573-G590 VanDerWaalsContact O-CA 3.27Å; I573-G590 WeakPolarHBondContact O-CA 3.32Å; I573-I591 HydrophobicContact CB-CG1 4.19Å; I573-I591 HydrophobicContact CB-CG2 3.87Å; I573-I591 HydrophobicContact CD1-CG2 4.24Å; I573-I591 HydrophobicContact CG1-CG2 4.36Å; I573-I591 PolarHBondContact O-N 3.39Å
574	V	97.7	Very high	94	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	121.3	167.4	-179.4	0	0	0	0	109	K532 S548 G551 D570 L577	K532-V574 WeakPolarHBondContact CE-O 3.36Å; K532-V574 PolarHBondContact NZ-O 3.36Å; S548-V574 PolarHBondContact N-O 3.43Å; S548-V574 PolarHBondContact O-N 2.79Å; G551-V574 VanDerWaalsContact O-CG2 3.31Å; G551-V574 WeakPolarHBondContact O-CG2 3.37Å; D570-V574 HydrophobicContact CB-CG2 3.99Å; V574-L577 HydrophobicContact CG1-CD1 4.13Å; V574-L577 HydrophobicContact CG1-CG 4.28Å
575	N	96.2	Very high	93.9	Very high	3 Å²	3	26.3 Å²	26.3	2%	0.016	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	-39	-179.2	-70.9	-32	0	0	0	112.6	T529 I531 K532 E533 I573 S589	T529-N575 PolarHBondContact OG1-OD1 3.18Å; I531-N575 HydrophobicContact CD1-CB 4.23Å; I531-N575 HydrophobicContact CG1-CB 4.36Å; I531-N575 PolarHBondContact O-OD1 3.33Å; K532-N575 VanDerWaalsContact CE-OD1 3.23Å; K532-N575 WeakPolarHBondContact CE-OD1 3.27Å; K532-N575 PolarHBondContact NZ-OD1 3.27Å; E533-N575 WeakPolarHBondContact CG-O 3.37Å; E533-N575 PolarHBondContact N-O 2.88Å; I573-N575 VanDerWaalsContact CG2-OD1 3.24Å; I573-N575 WeakPolarHBondContact CG2-OD1 3.44Å; N575-S589 PolarHBondContact N-O 3.42Å
576	C	97.1	Very high	93.9	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.014	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	139.8	-171.7	-55.5	0	0	0	0	112.3	N51 L53 E533 T588 S589	N51-C576 PolarHBondContact O-SG 3.33Å; L53-C576 HydrophobicContact CD1-CB 4.05Å; L53-C576 HydrophobicContact CG-CB 4.15Å; E533-C576 WeakPolarHBondContact OE2-CA 3.5Å; C576-T588 WeakPolarHBondContact O-CA 3.29Å; C576-T588 WeakPolarHBondContact O-CB 3.25Å; C576-S589 WeakPolarHBondContact CB-OG 3.41Å; C576-S589 PolarHBondContact N-O 2.78Å; C576-S589 PolarHBondContact O-N 2.94Å; C576-S589 VanDerWaalsContact O-N 3.14Å
577	L	96.6	Very high	94	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	105.9	179.5	-60.6	92	0	0	0	108.6	E533 N535 V545 G547 F553 V574 P579 L586 T588	E533-L577 HydrophobicContact CB-CD1 4.2Å; E533-L577 WeakPolarHBondContact O-CD1 3.47Å; E533-L577 PolarHBondContact OE2-N 3.25Å; N535-L577 PolarHBondContact ND2-O 2.81Å; V545-L577 HydrophobicContact CB-CD2 4.17Å; V545-L577 HydrophobicContact CG2-CB 4.32Å; V545-L577 HydrophobicContact CG2-CD2 4.27Å; G547-L577 VanDerWaalsContact CA-CD1 3.46Å; F553-L577 HydrophobicContact CB-CD2 3.55Å; F553-L577 HydrophobicContact CD2-CD2 4.14Å; F553-L577 HydrophobicContact CG-CD2 4.03Å; V574-L577 HydrophobicContact CG1-CD1 4.13Å; V574-L577 HydrophobicContact CG1-CG 4.28Å; L577-P579 WeakPolarHBondContact O-CD 3.48Å; L577-L586 HydrophobicContact CB-CD1 4.29Å; L577-T588 HydrophobicContact CD2-CG2 4.44Å; L577-T588 HydrophobicContact CG-CG2 4.16Å
578	Q	97.5	Very high	94	Very high	16 Å²	16	25.2 Å²	25.2	8%	0.075	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	95.6	-177.5	-69.9	-62.9	-38.3	0	0	109.7	L53 W55 E533 A587	L53-Q578 HydrophobicContact CB-CB 4.28Å; L53-Q578 HydrophobicContact CB-CG 3.64Å; L53-Q578 WeakPolarHBondContact O-CG 3.41Å; W55-Q578 PolarHBondContact NE1-O 3.37Å; E533-Q578 VanDerWaalsContact CD-NE2 3.32Å; E533-Q578 PolarHBondContact OE1-NE2 2.77Å; E533-Q578 PolarHBondContact OE2-NE2 3.42Å; Q578-A587 PolarHBondContact N-O 2.62Å; Q578-A587 PolarHBondContact O-N 2.68Å
579	P	96.3	Very high	94.1	Very high	21 Å²	21	21.4 Å²	21.4	14%	0.136	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	138.5	170.2	-24.4	34.8	0	0	0	111.3	N535 F537 V545 L577 L586	N535-P579 HydrophobicContact CB-CG 3.93Å; F537-P579 HydrophobicContact CB-CG 4.3Å; F537-P579 HydrophobicContact CD2-CB 3.65Å; F537-P579 HydrophobicContact CD2-CG 4.17Å; F537-P579 HydrophobicContact CE2-CB 4.17Å; F537-P579 HydrophobicContact CG-CB 4.43Å; F537-P579 HydrophobicContact CG-CG 4.49Å; V545-P579 HydrophobicContact CG2-CG 4.03Å; L577-P579 WeakPolarHBondContact O-CD 3.48Å; P579-L586 HydrophobicContact CB-CD1 4.42Å; P579-L586 HydrophobicContact CG-CD1 3.97Å
580	H	94.6	Very high	94	Very high	5 Å²	5	21.4 Å²	21.4	2%	0.023	11%	0.112	C	C	.	.			trans	-66.7	139.1	175.3	-177.7	-83.1	0	0	0	110.5	W55 G59 F77 S582 Y583 F585	W55-H580 AromaticContact CE3-CD2 3.78Å; W55-H580 AromaticContact CH2-CD2 3.89Å; W55-H580 HydrophobicContact CZ2-CB 4.32Å; W55-H580 AromaticContact CZ3-CD2 3.63Å; G59-H580 VanDerWaalsContact CA-NE2 3.33Å; G59-H580 WeakPolarHBondContact CA-NE2 3.45Å; G59-H580 PolarHBondContact O-CD2 2.97Å; G59-H580 PolarHBondContact O-NE2 3.01Å; F77-H580 AromaticContact CZ-NE2 3.84Å; H580-S582 PolarHBondContact CE1-N 2.71Å; H580-S582 PolarHBondContact ND1-N 2.84Å; H580-S582 PolarHBondContact O-N 3.48Å; H580-S582 VanDerWaalsContact O-N 3.11Å; H580-Y583 AromaticContact CE1-CD2 2.98Å; H580-Y583 WeakPolarHBondContact CE1-CD2 3.31Å; H580-Y583 AromaticContact CE1-CE2 3.37Å; H580-Y583 WeakPolarHBondContact CE1-CE2 3.29Å; H580-Y583 AromaticContact CE1-CG 3.88Å; H580-Y583 AromaticContact CG-CD2 3.96Å; H580-Y583 AromaticContact ND1-CD2 3.22Å; H580-Y583 WeakPolarHBondContact ND1-CD2 3.3Å; H580-Y583 AromaticContact ND1-CG 3.73Å; H580-Y583 PolarHBondContact ND1-N 3.15Å; H580-Y583 AromaticContact NE2-CD2 3.52Å; H580-Y583 AromaticContact NE2-CE2 3.81Å; H580-F585 HydrophobicContact CB-CB 3.68Å; H580-F585 HydrophobicContact CB-CD1 4.26Å; H580-F585 HydrophobicContact CB-CG 4.47Å; H580-F585 VanDerWaalsContact CB-O 3.3Å; H580-F585 WeakPolarHBondContact CB-O 3.46Å; H580-F585 PolarHBondContact N-O 2.73Å
581	P	88	Confident	94	Very high	59 Å²	59	24.1 Å²	24.1	38%	0.383	13%	0.125	S	C	.	.	S	Bend	trans	-63.7	-22.5	-173.7	22.5	-34.8	0	0	0	114.8
582	S	83.8	Confident	94.2	Very high	24 Å²	24	17.2 Å²	17.2	17%	0.168	9%	0.093	C	C	.	.	S	Bend	trans	-133.7	-0.8	-171.5	-61.6	0	0	0	0	117.3	H28 H580	H28-S582 WeakPolarHBondContact CB-O 3.37Å; H28-S582 WeakPolarHBondContact ND1-CA 3.4Å; H28-S582 PolarHBondContact ND1-O 3.25Å; H580-S582 PolarHBondContact CE1-N 2.71Å; H580-S582 PolarHBondContact ND1-N 2.84Å; H580-S582 PolarHBondContact O-N 3.48Å; H580-S582 VanDerWaalsContact O-N 3.11Å
583	Y	87.1	Confident	94.5	Very high	101 Å²	101	17.9 Å²	17.9	40%	0.396	10%	0.097	S	C	.	.	S	Bend	trans	-134.5	159.3	-176.1	-59.3	-61.4	0	0	0	110.2	F77 H580 F585	F77-Y583 HydrophobicContact CE1-CD2 4.23Å; F77-Y583 HydrophobicContact CE1-CE2 4.35Å; F77-Y583 AromaticContact CZ-CD2 3.89Å; F77-Y583 HydrophobicContact CZ-CD2 3.89Å; F77-Y583 AromaticContact CZ-CE2 3.81Å; F77-Y583 HydrophobicContact CZ-CE2 3.81Å; H580-Y583 AromaticContact CE1-CD2 2.98Å; H580-Y583 WeakPolarHBondContact CE1-CD2 3.31Å; H580-Y583 AromaticContact CE1-CE2 3.37Å; H580-Y583 WeakPolarHBondContact CE1-CE2 3.29Å; H580-Y583 AromaticContact CE1-CG 3.88Å; H580-Y583 AromaticContact CG-CD2 3.96Å; H580-Y583 AromaticContact ND1-CD2 3.22Å; H580-Y583 WeakPolarHBondContact ND1-CD2 3.3Å; H580-Y583 AromaticContact ND1-CG 3.73Å; H580-Y583 PolarHBondContact ND1-N 3.15Å; H580-Y583 AromaticContact NE2-CD2 3.52Å; H580-Y583 AromaticContact NE2-CE2 3.81Å; Y583-F585 PolarHBondContact O-N 3.01Å
584	C	92	Very high	94.6	Very high	8 Å²	8	17.8 Å²	17.8	5%	0.054	10%	0.097	C	C	.	.	S	Bend	trans	-72.9	77.7	161.9	-172.2	0	0	0	0	108.9	H28 V29 F33 P600	H28-C584 WeakPolarHBondContact O-CB 3.47Å; H28-C584 PolarHBondContact O-N 3.28Å; V29-C584 HydrophobicContact CB-CB 4.35Å; V29-C584 HydrophobicContact CG2-CB 3.56Å; F33-C584 HydrophobicContact CB-CB 4.35Å; F33-C584 HydrophobicContact CD2-CB 3.94Å; C584-P600 HydrophobicContact CB-CG 4.03Å; C584-P600 WeakPolarHBondContact O-CD 2.82Å; C584-P600 VanDerWaalsContact SG-CG 3.58Å
585	F	93.5	Very high	94.7	Very high	6 Å²	6	17.8 Å²	17.8	3%	0.026	10%	0.097	C	C	.	.			trans	-145.1	140.4	-176.8	-162.6	-102.1	0	0	0	107.5	E40 W55 P76 H580 Y583 L597 W598 N599	E40-F585 WeakPolarHBondContact OE2-CE2 3.31Å; W55-F585 AromaticContact CH2-CD1 3.75Å; W55-F585 HydrophobicContact CH2-CD1 3.75Å; W55-F585 AromaticContact CH2-CE1 3.69Å; W55-F585 HydrophobicContact CH2-CE1 3.69Å; W55-F585 AromaticContact CZ2-CD1 3.81Å; W55-F585 HydrophobicContact CZ2-CD1 3.81Å; W55-F585 HydrophobicContact CZ2-CE1 4.03Å; P76-F585 HydrophobicContact CB-CE1 4.36Å; H580-F585 HydrophobicContact CB-CB 3.68Å; H580-F585 HydrophobicContact CB-CD1 4.26Å; H580-F585 HydrophobicContact CB-CG 4.47Å; H580-F585 VanDerWaalsContact CB-O 3.3Å; H580-F585 WeakPolarHBondContact CB-O 3.46Å; H580-F585 PolarHBondContact N-O 2.73Å; Y583-F585 PolarHBondContact O-N 3.01Å; F585-L597 HydrophobicContact CE1-CB 4.1Å; F585-L597 HydrophobicContact CE1-CD1 4.08Å; F585-L597 HydrophobicContact CE1-CD2 3.94Å; F585-L597 HydrophobicContact CE1-CG 4.26Å; F585-L597 HydrophobicContact CE2-CB 4.39Å; F585-L597 HydrophobicContact CZ-CB 3.65Å; F585-L597 HydrophobicContact CZ-CD1 3.73Å; F585-L597 HydrophobicContact CZ-CD2 4.29Å; F585-L597 HydrophobicContact CZ-CG 4.09Å; F585-W598 VanDerWaalsContact CA-O 3.3Å; F585-W598 WeakPolarHBondContact CA-O 3.42Å; F585-W598 WeakPolarHBondContact CD2-O 3.41Å; F585-N599 HydrophobicContact CD2-CB 3.83Å; F585-N599 HydrophobicContact CE2-CB 3.98Å
586	L	97	Very high	94.8	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	138.4	-176.3	170.4	70.3	0	0	0	108.1	F553 L577 P579 T588 L597 W598	F553-L586 HydrophobicContact CD2-CD2 4.18Å; F553-L586 HydrophobicContact CE2-CD2 3.56Å; F553-L586 HydrophobicContact CZ-CD2 3.89Å; L577-L586 HydrophobicContact CB-CD1 4.29Å; P579-L586 HydrophobicContact CB-CD1 4.42Å; P579-L586 HydrophobicContact CG-CD1 3.97Å; L586-T588 HydrophobicContact CD1-CG2 4.43Å; L586-T588 HydrophobicContact CD2-CG2 3.87Å; L586-T588 HydrophobicContact CG-CG2 3.89Å; L586-L597 CarbonylContact O-C 3.14Å; L586-L597 WeakPolarHBondContact O-CA 3.09Å; L586-W598 HydrophobicContact CB-CB 4.12Å; L586-W598 PolarHBondContact N-O 2.91Å; L586-W598 VanDerWaalsContact O-CD1 3.29Å; L586-W598 PolarHBondContact O-N 2.67Å
587	A	98.5	Very high	94.8	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	134.7	166.3	0	0	0	0	0	109	L53 W55 L62 Q578 V595 R596 L597	L53-A587 HydrophobicContact CD1-CB 4.08Å; W55-A587 HydrophobicContact CZ2-CB 3.85Å; L62-A587 HydrophobicContact CD1-CB 4.18Å; L62-A587 HydrophobicContact CD2-CB 3.71Å; Q578-A587 PolarHBondContact N-O 2.62Å; Q578-A587 PolarHBondContact O-N 2.68Å; A587-V595 HydrophobicContact CB-CG1 4.44Å; A587-R596 CarbonylContact C-O 3.6Å; A587-R596 VanDerWaalsContact CA-O 3.29Å; A587-R596 WeakPolarHBondContact CA-O 3.25Å; A587-L597 HydrophobicContact CB-CD2 3.93Å
588	T	98.6	Very high	94.8	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	157.1	173.1	68.8	0	0	0	0	111.3	F553 C576 L577 L586 R596 W598	F553-T588 HydrophobicContact CD1-CG2 4.35Å; F553-T588 HydrophobicContact CE1-CG2 4.33Å; C576-T588 WeakPolarHBondContact O-CA 3.29Å; C576-T588 WeakPolarHBondContact O-CB 3.25Å; L577-T588 HydrophobicContact CD2-CG2 4.44Å; L577-T588 HydrophobicContact CG-CG2 4.16Å; L586-T588 HydrophobicContact CD1-CG2 4.43Å; L586-T588 HydrophobicContact CD2-CG2 3.87Å; L586-T588 HydrophobicContact CG-CG2 3.89Å; T588-R596 PolarHBondContact N-O 3.43Å; T588-R596 PolarHBondContact O-N 2.81Å; T588-W598 PolarHBondContact OG1-NE1 2.7Å
589	S	98	Very high	94.7	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	168.9	168.2	64.4	0	0	0	0	110.7	V50 L53 N575 C576	V50-S589 WeakPolarHBondContact O-CB 3.45Å; V50-S589 PolarHBondContact O-OG 3.23Å; L53-S589 WeakPolarHBondContact CD1-OG 3.48Å; N575-S589 PolarHBondContact N-O 3.42Å; C576-S589 WeakPolarHBondContact CB-OG 3.41Å; C576-S589 PolarHBondContact N-O 2.78Å; C576-S589 PolarHBondContact O-N 2.94Å; C576-S589 VanDerWaalsContact O-N 3.14Å
590	G	94.4	Very high	94.5	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	-129.5	179.9	0	0	0	0	0	111.6	V50 D570 I573 D592	V50-G590 PolarHBondContact N-O 3.4Å; V50-G590 VanDerWaalsContact N-O 3.14Å; D570-G590 WeakPolarHBondContact OD2-CA 3.22Å; D570-G590 PolarHBondContact OD2-N 2.82Å; I573-G590 VanDerWaalsContact O-CA 3.27Å; I573-G590 WeakPolarHBondContact O-CA 3.32Å; G590-D592 VanDerWaalsContact C-N 3.3Å
591	I	92.8	Very high	94.3	Very high	56 Å²	56	23 Å²	23	29%	0.287	12%	0.119	S	C	.	.	S	Bend	trans	-76.3	-19.9	179.4	57.2	119.1	0	0	0	112.8	C49 D570 S572 I573	C49-I591 PolarHBondContact SG-O 3.12Å; C49-I591 VanDerWaalsContact SG-O 3.38Å; D570-I591 PolarHBondContact OD2-N 2.95Å; S572-I591 WeakPolarHBondContact OG-CD1 3.4Å; S572-I591 VanDerWaalsContact OG-CG1 3.24Å; S572-I591 WeakPolarHBondContact OG-CG1 2.96Å; I573-I591 HydrophobicContact CB-CG1 4.19Å; I573-I591 HydrophobicContact CB-CG2 3.87Å; I573-I591 HydrophobicContact CD1-CG2 4.24Å; I573-I591 HydrophobicContact CG1-CG2 4.36Å; I573-I591 PolarHBondContact O-N 3.39Å
592	D	94.4	Very high	94.3	Very high	12 Å²	12	23.4 Å²	23.4	6%	0.064	12%	0.122	C	C	.	.	S	Bend	trans	-72.3	149.2	176	-61.7	-3.6	0	0	0	110.1	D570 E571 G590 V594 R596	D570-D592 PolarHBondContact OD2-N 2.92Å; E571-D592 PolarHBondContact N-OD2 2.88Å; G590-D592 VanDerWaalsContact C-N 3.3Å; D592-V594 HydrophobicContact CB-CG2 3.98Å; D592-V594 PolarHBondContact O-N 2.88Å; D592-R596 IonicContact OD2-CZ 3.47Å; D592-R596 VanDerWaalsContact OD2-CZ 3.23Å; D592-R596 IonicContact OD2-NH1 3.92Å; D592-R596 PolarHBondContact OD2-NH1 3.39Å; D592-R596 IonicContact OD2-NH2 2.76Å; D592-R596 PolarHBondContact OD2-NH2 2.93Å
593	P	96.3	Very high	94.3	Very high	54 Å²	54	29.5 Å²	29.5	35%	0.351	15%	0.147	S	C	.	.	S	Bend	trans	-79.9	28.5	-179.2	35.2	-37.6	0	0	0	113.4	G48	G48-P593 WeakPolarHBondContact O-CA 3.49Å
594	V	97.3	Very high	94	Very high	6 Å²	6	30.8 Å²	30.8	4%	0.036	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	153.9	-173.6	-54.8	0	0	0	0	111.7	Q44 D592 R596	Q44-V594 VanDerWaalsContact CD-CG1 3.46Å; Q44-V594 VanDerWaalsContact OE1-CG1 3.26Å; D592-V594 HydrophobicContact CB-CG2 3.98Å; D592-V594 PolarHBondContact O-N 2.88Å; V594-R596 HydrophobicContact CG2-CG 4.13Å; V594-R596 VanDerWaalsContact CG2-CZ 3.42Å
595	V	98.4	Very high	93.3	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	129.6	168.2	-178.2	0	0	0	0	108.7	E42 L43 V50 L53 L62 A587 L597	E42-V595 CarbonylContact C-O 3.56Å; L43-V595 HydrophobicContact CB-CB 4.17Å; L43-V595 HydrophobicContact CD1-CB 4.35Å; L43-V595 HydrophobicContact CD1-CG1 4.41Å; L43-V595 PolarHBondContact N-O 2.72Å; L43-V595 PolarHBondContact O-N 3.08Å; V50-V595 HydrophobicContact CG1-CG2 4.02Å; L53-V595 HydrophobicContact CD1-CG1 4.13Å; L53-V595 HydrophobicContact CD2-CB 4.49Å; L53-V595 HydrophobicContact CD2-CG1 3.86Å; L53-V595 HydrophobicContact CD2-CG2 3.77Å; L62-V595 HydrophobicContact CD2-CG1 3.83Å; A587-V595 HydrophobicContact CB-CG1 4.44Å; V595-L597 HydrophobicContact CG1-CD2 4.46Å
596	R	98.2	Very high	91.8	Very high	10 Å²	10	44.4 Å²	44.4	4%	0.038	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	131.8	-178.5	-63.9	-174.2	169.4	95.4	-3.1	110.9	L39 E42 G569 D570 A587 T588 D592 V594 W598	L39-R596 HydrophobicContact CD1-CB 3.87Å; L39-R596 HydrophobicContact CD1-CG 4.19Å; E42-R596 HydrophobicContact CG-CG 4.12Å; E42-R596 IonicContact OE1-CZ 2.71Å; E42-R596 IonicContact OE1-NE 3.03Å; E42-R596 PolarHBondContact OE1-NE 3.31Å; E42-R596 IonicContact OE1-NH2 3.15Å; E42-R596 PolarHBondContact OE1-NH2 3.15Å; E42-R596 VanDerWaalsContact OE1-NH2 3.09Å; G569-R596 WeakPolarHBondContact O-CD 3.47Å; G569-R596 PolarHBondContact O-NE 3.49Å; G569-R596 PolarHBondContact O-NH1 2.87Å; D570-R596 IonicContact OD1-CZ 2.72Å; D570-R596 IonicContact OD1-NH1 3.3Å; D570-R596 PolarHBondContact OD1-NH1 2.86Å; D570-R596 IonicContact OD2-NH1 2.79Å; A587-R596 CarbonylContact C-O 3.6Å; A587-R596 VanDerWaalsContact CA-O 3.29Å; A587-R596 WeakPolarHBondContact CA-O 3.25Å; T588-R596 PolarHBondContact N-O 3.43Å; T588-R596 PolarHBondContact O-N 2.81Å; D592-R596 IonicContact OD2-CZ 3.47Å; D592-R596 VanDerWaalsContact OD2-CZ 3.23Å; D592-R596 IonicContact OD2-NH1 3.92Å; D592-R596 PolarHBondContact OD2-NH1 3.39Å; D592-R596 IonicContact OD2-NH2 2.76Å; D592-R596 PolarHBondContact OD2-NH2 2.93Å; V594-R596 HydrophobicContact CG2-CG 4.13Å; V594-R596 VanDerWaalsContact CG2-CZ 3.42Å; R596-W598 HydrophobicContact CB-CZ2 3.98Å; R596-W598 PolarHBondContact O-NE1 3.07Å
597	L	98.1	Very high	90.2	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	134.9	176.8	-56.9	-174.2	0	0	0	109.7	E40 T41 L43 L62 P76 F585 L586 A587 V595	E40-L597 HydrophobicContact CB-CB 4.49Å; E40-L597 WeakPolarHBondContact CB-O 3.43Å; E40-L597 PolarHBondContact N-O 2.98Å; T41-L597 HydrophobicContact CG2-CB 4.05Å; T41-L597 HydrophobicContact CG2-CD1 3.83Å; T41-L597 HydrophobicContact CG2-CG 4.09Å; T41-L597 PolarHBondContact N-O 2.69Å; T41-L597 PolarHBondContact O-N 3.08Å; L43-L597 HydrophobicContact CD1-CD1 4.02Å; L43-L597 HydrophobicContact CD1-CD2 4.25Å; L43-L597 HydrophobicContact CD1-CG 4.17Å; L43-L597 HydrophobicContact CD2-CD1 4.12Å; L43-L597 HydrophobicContact CG-CD1 4.16Å; L43-L597 HydrophobicContact CG-CG 4.19Å; L62-L597 HydrophobicContact CD2-CD2 4.02Å; P76-L597 HydrophobicContact CB-CD1 3.83Å; P76-L597 VanDerWaalsContact O-CD1 3.25Å; P76-L597 WeakPolarHBondContact O-CD1 3.24Å; F585-L597 HydrophobicContact CE1-CB 4.1Å; F585-L597 HydrophobicContact CE1-CD1 4.08Å; F585-L597 HydrophobicContact CE1-CD2 3.94Å; F585-L597 HydrophobicContact CE1-CG 4.26Å; F585-L597 HydrophobicContact CE2-CB 4.39Å; F585-L597 HydrophobicContact CZ-CB 3.65Å; F585-L597 HydrophobicContact CZ-CD1 3.73Å; F585-L597 HydrophobicContact CZ-CD2 4.29Å; F585-L597 HydrophobicContact CZ-CG 4.09Å; L586-L597 CarbonylContact O-C 3.14Å; L586-L597 WeakPolarHBondContact O-CA 3.09Å; A587-L597 HydrophobicContact CB-CD2 3.93Å; V595-L597 HydrophobicContact CG1-CD2 4.46Å
598	W	97.1	Very high	88.9	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	132.2	-174.9	-51.2	81.5	0	0	0	110.5	L37 G38 L39 F553 L567 Q568 F585 L586 T588 R596 R610	L37-W598 HydrophobicContact CD1-CB 4.01Å; L37-W598 HydrophobicContact CG-CB 4.25Å; G38-W598 WeakPolarHBondContact O-CA 3.26Å; L39-W598 HydrophobicContact CB-CE3 4.25Å; L39-W598 HydrophobicContact CB-CH2 4.28Å; L39-W598 HydrophobicContact CB-CZ3 3.92Å; L39-W598 HydrophobicContact CD1-CH2 4.13Å; L39-W598 HydrophobicContact CD1-CZ2 4.07Å; L39-W598 HydrophobicContact CD1-CZ3 4.43Å; F553-W598 AromaticContact CE1-CD2 3.86Å; F553-W598 HydrophobicContact CE1-CD2 3.86Å; F553-W598 AromaticContact CE1-CE2 3.62Å; F553-W598 HydrophobicContact CE1-CE3 4.02Å; F553-W598 AromaticContact CE1-CH2 3.87Å; F553-W598 HydrophobicContact CE1-CH2 3.87Å; F553-W598 AromaticContact CE1-CZ2 3.66Å; F553-W598 HydrophobicContact CE1-CZ2 3.66Å; F553-W598 HydrophobicContact CE1-CZ3 4.02Å; F553-W598 AromaticContact CZ-CD2 3.77Å; F553-W598 HydrophobicContact CZ-CD2 3.77Å; F553-W598 AromaticContact CZ-CE3 3.9Å; F553-W598 HydrophobicContact CZ-CE3 3.9Å; F553-W598 HydrophobicContact CZ-CG 4.22Å; F553-W598 HydrophobicContact CZ-CZ2 4.42Å; F553-W598 HydrophobicContact CZ-CZ3 4.29Å; L567-W598 HydrophobicContact CB-CZ3 4.21Å; L567-W598 HydrophobicContact CD1-CE3 4.14Å; L567-W598 HydrophobicContact CD1-CZ3 4.41Å; Q568-W598 VanDerWaalsContact O-CH2 3.28Å; Q568-W598 WeakPolarHBondContact O-CH2 3.39Å; F585-W598 VanDerWaalsContact CA-O 3.3Å; F585-W598 WeakPolarHBondContact CA-O 3.42Å; F585-W598 WeakPolarHBondContact CD2-O 3.41Å; L586-W598 HydrophobicContact CB-CB 4.12Å; L586-W598 PolarHBondContact N-O 2.91Å; L586-W598 VanDerWaalsContact O-CD1 3.29Å; L586-W598 PolarHBondContact O-N 2.67Å; T588-W598 PolarHBondContact OG1-NE1 2.7Å; R596-W598 HydrophobicContact CB-CZ2 3.98Å; R596-W598 PolarHBondContact O-NE1 3.07Å; W598-R610 HydrophobicContact CH2-CB 4.42Å; W598-R610 HydrophobicContact CZ3-CB 4.25Å
599	N	93.8	Very high	87.9	Confident	61 Å²	61	56.3 Å²	56.3	33%	0.326	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	148.2	-176.5	-171.2	6.7	0	0	0	109.5	G38 E40 F585 R601	G38-N599 PolarHBondContact N-O 3.08Å; G38-N599 PolarHBondContact O-N 3.23Å; G38-N599 VanDerWaalsContact O-O 3.12Å; E40-N599 HydrophobicContact CB-CB 4.14Å; E40-N599 WeakPolarHBondContact OE2-CB 3.33Å; E40-N599 VanDerWaalsContact OE2-CG 3.29Å; E40-N599 PolarHBondContact OE2-ND2 3.32Å; F585-N599 HydrophobicContact CD2-CB 3.83Å; F585-N599 HydrophobicContact CE2-CB 3.98Å; N599-R601 PolarHBondContact O-N 3.5Å
600	P	92.6	Very high	87.6	Confident	18 Å²	18	59.2 Å²	59.2	12%	0.117	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-50.6	112.7	168.5	-33.3	36	0	0	0	113.3	F33 R36 C584	F33-P600 HydrophobicContact CB-CB 4.25Å; F33-P600 HydrophobicContact CB-CG 3.55Å; F33-P600 HydrophobicContact CD1-CB 4.16Å; F33-P600 HydrophobicContact CD1-CG 4.21Å; F33-P600 HydrophobicContact CD2-CG 4.3Å; F33-P600 HydrophobicContact CG-CB 4.25Å; F33-P600 HydrophobicContact CG-CG 3.79Å; R36-P600 HydrophobicContact CB-CB 4.35Å; C584-P600 HydrophobicContact CB-CG 4.03Å; C584-P600 WeakPolarHBondContact O-CD 2.82Å; C584-P600 VanDerWaalsContact SG-CG 3.58Å
601	R	90.8	Very high	87.6	Confident	69 Å²	69	60.8 Å²	60.8	26%	0.26	32%	0.322	S	S	.	.			trans	-66.8	149.9	177	-57.9	-57.1	-57.5	180	3.6	111.1	R36 L39 N599 D605	R36-R601 PolarHBondContact NE-O 2.79Å; R36-R601 PolarHBondContact NH2-O 3.11Å; R36-R601 WeakPolarHBondContact O-CB 3.43Å; R36-R601 WeakPolarHBondContact O-CG 3.42Å; R36-R601 PolarHBondContact O-N 3.17Å; L39-R601 WeakPolarHBondContact O-CD 3.3Å; L39-R601 PolarHBondContact O-NH1 3.38Å; N599-R601 PolarHBondContact O-N 3.5Å; R601-D605 HydrophobicContact CB-CB 4.31Å; R601-D605 IonicContact CZ-OD2 3.25Å; R601-D605 IonicContact NE-OD2 3.91Å; R601-D605 PolarHBondContact NE-OD2 3.49Å; R601-D605 IonicContact NH2-OD2 3.94Å; R601-D605 PolarHBondContact NH2-OD2 3.44Å
602	P	87.6	Confident	87.8	Confident	67 Å²	67	59.8 Å²	59.8	44%	0.435	32%	0.319	S	S	.	.			trans	-52.7	149.3	175.2	-25.2	34.6	0	0	0	112.8	T604 D605	P602-T604 PolarHBondContact O-N 3.27Å; P602-D605 HydrophobicContact CB-CB 4.34Å; P602-D605 VanDerWaalsContact O-CB 3.27Å; P602-D605 WeakPolarHBondContact O-CB 3.24Å; P602-D605 PolarHBondContact O-N 2.95Å
603	E	83.9	Confident	87.7	Confident	151 Å²	151	66.9 Å²	66.9	71%	0.706	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-22.2	179.8	-61.1	-173.6	171	0	0	113.6	R36 D605	R36-E603 IonicContact CZ-OE1 2.77Å; R36-E603 IonicContact NH1-OE1 3.24Å; R36-E603 PolarHBondContact NH1-OE1 2.76Å; E603-D605 VanDerWaalsContact C-N 3.27Å
604	T	81.7	Confident	87.6	Confident	129 Å²	129	69.4 Å²	69.4	79%	0.791	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-19.9	174.9	53	0	0	0	0	112.5	P602 R606	P602-T604 PolarHBondContact O-N 3.27Å; T604-R606 PolarHBondContact O-N 2.81Å
605	D	77	Confident	87.5	Confident	61 Å²	61	72.1 Å²	72.1	33%	0.326	38%	0.375	S	S	.	.			trans	-83.2	95.5	-179.3	-160.4	1	0	0	0	108.3	R601 P602 E603	R601-D605 HydrophobicContact CB-CB 4.31Å; R601-D605 IonicContact CZ-OD2 3.25Å; R601-D605 IonicContact NE-OD2 3.91Å; R601-D605 PolarHBondContact NE-OD2 3.49Å; R601-D605 IonicContact NH2-OD2 3.94Å; R601-D605 PolarHBondContact NH2-OD2 3.44Å; P602-D605 HydrophobicContact CB-CB 4.34Å; P602-D605 VanDerWaalsContact O-CB 3.27Å; P602-D605 WeakPolarHBondContact O-CB 3.24Å; P602-D605 PolarHBondContact O-N 2.95Å; E603-D605 VanDerWaalsContact C-N 3.27Å
606	R	62.4	Low	87.3	Confident	238 Å²	238	75.9 Å²	75.9	90%	0.898	39%	0.393	S	S	*	.			trans	-84.2	-22	-176.8	-68.6	-171.4	178	-166.5	0.3	113	T604	T604-R606 PolarHBondContact O-N 2.81Å
607	D	63	Low	87.2	Confident	145 Å²	145	76.4 Å²	76.4	78%	0.775	40%	0.401	S	S	*	.			trans	-98.3	100.6	-179.5	-87.4	-28	0	0	0	110.5
608	N	71.4	Confident	87.1	Confident	32 Å²	32	77.1 Å²	77.1	17%	0.171	41%	0.407	C	S	.	.			trans	-105.7	79.4	164.3	-169.8	1.6	0	0	0	108.1	L37 G38 R565 R610 V611	L37-N608 PolarHBondContact O-ND2 2.95Å; G38-N608 VanDerWaalsContact CA-ND2 3.29Å; G38-N608 WeakPolarHBondContact CA-ND2 3.41Å; R565-N608 PolarHBondContact NH2-ND2 3.1Å; N608-R610 PolarHBondContact O-N 2.85Å; N608-V611 HydrophobicContact CB-CG2 3.65Å; N608-V611 VanDerWaalsContact CG-CG2 3.49Å; N608-V611 VanDerWaalsContact ND2-CG2 3.34Å; N608-V611 WeakPolarHBondContact ND2-CG2 3.43Å; N608-V611 WeakPolarHBondContact O-CG2 3.38Å; N608-V611 PolarHBondContact O-N 3.15Å
609	G	77.7	Confident	87	Confident	74 Å²	74	77.3 Å²	77.3	76%	0.763	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-0.7	-171.9	0	0	0	0	0	116.1
610	R	91.6	Very high	87.1	Confident	61 Å²	61	78.4 Å²	78.4	23%	0.23	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	1.2	173.8	-60.8	-73.7	-170.2	146	1.2	112.5	L39 E42 L567 Q568 W598 N608	L39-R610 HydrophobicContact CB-CG 4.4Å; E42-R610 IonicContact OE1-NH2 2.9Å; E42-R610 PolarHBondContact OE1-NH2 3.09Å; L567-R610 CarbonylContact C-O 3.47Å; L567-R610 WeakPolarHBondContact CA-O 3.31Å; Q568-R610 HydrophobicContact CB-CB 4.47Å; Q568-R610 PolarHBondContact N-O 2.98Å; Q568-R610 WeakPolarHBondContact O-CD 3.45Å; W598-R610 HydrophobicContact CH2-CB 4.42Å; W598-R610 HydrophobicContact CZ3-CB 4.25Å; N608-R610 PolarHBondContact O-N 2.85Å
611	V	94.3	Very high	87.2	Confident	32 Å²	32	79.8 Å²	79.8	19%	0.194	43%	0.425	C	S	.	.	B	Isolated β-bridge	trans	-77	132	177	-179.7	0	0	0	0	110	L567 N608 E613	L567-V611 HydrophobicContact CD2-CB 4.39Å; L567-V611 HydrophobicContact CD2-CG2 3.65Å; N608-V611 HydrophobicContact CB-CG2 3.65Å; N608-V611 VanDerWaalsContact CG-CG2 3.49Å; N608-V611 VanDerWaalsContact ND2-CG2 3.34Å; N608-V611 WeakPolarHBondContact ND2-CG2 3.43Å; N608-V611 WeakPolarHBondContact O-CG2 3.38Å; N608-V611 PolarHBondContact O-N 3.15Å; V611-E613 WeakPolarHBondContact CG1-OE1 3.22Å; V611-E613 PolarHBondContact O-N 2.95Å
612	V	95.6	Very high	87.4	Confident	35 Å²	35	76.7 Å²	76.7	21%	0.212	41%	0.414	C	S	.	.			trans	-90.3	104.6	170.4	-179.5	0	0	0	0	108.3	I566 M615 A618	I566-V612 HydrophobicContact CB-CB 3.95Å; I566-V612 HydrophobicContact CB-CG2 4.4Å; I566-V612 HydrophobicContact CG2-CB 3.81Å; I566-V612 HydrophobicContact CG2-CG1 4.43Å; I566-V612 HydrophobicContact CG2-CG2 3.76Å; I566-V612 PolarHBondContact O-N 3.46Å; V612-M615 WeakPolarHBondContact O-CG 3.27Å; V612-A618 HydrophobicContact CG1-CB 3.96Å
613	E	92.9	Very high	87.6	Confident	162 Å²	162	74.1 Å²	74.1	76%	0.757	40%	0.396	S	S	*	.	S	Bend	trans	-68.6	-43.4	-177.7	-65.2	-61.8	146.9	0	0	112.2	V611 M615	V611-E613 WeakPolarHBondContact CG1-OE1 3.22Å; V611-E613 PolarHBondContact O-N 2.95Å; E613-M615 VanDerWaalsContact C-N 3.31Å; E613-M615 PolarHBondContact O-N 3.18Å
614	D	94.9	Very high	88	Confident	106 Å²	106	74.3 Å²	74.3	57%	0.567	39%	0.39	S	S	*	.			trans	-83.7	73.6	175.4	-174.9	13.5	0	0	0	111.7	E616 G617 A618	D614-E616 VanDerWaalsContact C-N 3.29Å; D614-E616 PolarHBondContact O-N 2.92Å; D614-G617 PolarHBondContact O-N 2.73Å; D614-G617 PolarHBondContact OD1-N 2.75Å; D614-G617 WeakPolarHBondContact OD2-CA 3.31Å; D614-A618 WeakPolarHBondContact O-CB 3.46Å; D614-A618 PolarHBondContact O-N 2.59Å
615	M	95.3	Very high	88.4	Confident	64 Å²	64	69.8 Å²	69.8	32%	0.315	36%	0.358	S	S	.	.	H	α-helix	trans	-63.4	-33.9	179.7	-67.8	-172.4	-68.8	0	0	113.4	L563 I566 V612 E613 A619	L563-M615 HydrophobicContact CD2-CB 4.18Å; L563-M615 HydrophobicContact CG-SD 4.39Å; I566-M615 HydrophobicContact CB-CG 4.38Å; I566-M615 HydrophobicContact CD1-CB 3.69Å; I566-M615 HydrophobicContact CD1-CG 3.74Å; I566-M615 HydrophobicContact CG1-CB 4.34Å; I566-M615 HydrophobicContact CG1-CG 3.93Å; I566-M615 HydrophobicContact CG1-SD 4.38Å; V612-M615 WeakPolarHBondContact O-CG 3.27Å; E613-M615 VanDerWaalsContact C-N 3.31Å; E613-M615 PolarHBondContact O-N 3.18Å; M615-A619 WeakPolarHBondContact O-CB 3.16Å; M615-A619 PolarHBondContact O-N 2.79Å; M615-A619 VanDerWaalsContact O-N 3.08Å
616	E	93.8	Very high	89	Confident	79 Å²	79	67.2 Å²	67.2	37%	0.369	34%	0.344	S	S	.	.	H	α-helix	trans	-73.4	-43.2	-179.9	-178.3	165.2	-159.9	0	0	111	T373 D614 A619 Q620	T373-E616 WeakPolarHBondContact CB-OE1 3.46Å; T373-E616 PolarHBondContact OG1-OE1 3.35Å; D614-E616 VanDerWaalsContact C-N 3.29Å; D614-E616 PolarHBondContact O-N 2.92Å; E616-A619 PolarHBondContact O-N 3.43Å; E616-Q620 VanDerWaalsContact O-CB 3.3Å; E616-Q620 WeakPolarHBondContact O-CB 3.29Å; E616-Q620 PolarHBondContact O-N 2.63Å
617	G	95.4	Very high	90.2	Very high	20 Å²	20	58.5 Å²	58.5	21%	0.206	32%	0.316	C	S	.	.	H	α-helix	trans	-60.6	-43.7	174.3	0	0	0	0	0	112.4	D614 Q620 A621	D614-G617 PolarHBondContact O-N 2.73Å; D614-G617 PolarHBondContact OD1-N 2.75Å; D614-G617 WeakPolarHBondContact OD2-CA 3.31Å; G617-Q620 PolarHBondContact O-N 3.26Å; G617-A621 WeakPolarHBondContact O-CB 3.25Å; G617-A621 PolarHBondContact O-N 3.43Å
618	A	96	Very high	91.3	Very high	16 Å²	16	52.5 Å²	52.5	13%	0.132	29%	0.286	C	S	.	.	H	α-helix	trans	-60.2	-49.9	175.1	0	0	0	0	0	111.9	I566 V612 D614 Q620 A621 N622	I566-A618 HydrophobicContact CD1-CB 3.9Å; V612-A618 HydrophobicContact CG1-CB 3.96Å; D614-A618 WeakPolarHBondContact O-CB 3.46Å; D614-A618 PolarHBondContact O-N 2.59Å; A618-Q620 VanDerWaalsContact C-N 3.31Å; A618-Q620 PolarHBondContact O-N 3.43Å; A618-A621 PolarHBondContact O-N 3.02Å; A618-N622 PolarHBondContact O-N 3.21Å
619	A	96.3	Very high	91.8	Very high	4 Å²	4	54.1 Å²	54.1	3%	0.033	30%	0.295	C	S	.	.	H	α-helix	trans	-63	-37.1	178.1	0	0	0	0	0	112.6	W405 G523 M615 E616 N622 Q623	W405-A619 HydrophobicContact CH2-CB 3.69Å; W405-A619 HydrophobicContact CZ3-CB 4.34Å; G523-A619 WeakPolarHBondContact O-CA 3.12Å; M615-A619 WeakPolarHBondContact O-CB 3.16Å; M615-A619 PolarHBondContact O-N 2.79Å; M615-A619 VanDerWaalsContact O-N 3.08Å; E616-A619 PolarHBondContact O-N 3.43Å; A619-N622 PolarHBondContact O-N 3.43Å; A619-Q623 PolarHBondContact O-N 3.49Å
620	Q	95.1	Very high	91.7	Very high	83 Å²	83	53.5 Å²	53.5	39%	0.388	28%	0.278	S	S	.	.	H	α-helix	trans	-69.5	-39	176	-168	-178.8	36.3	0	0	112	W405 E616 G617 A618 N622 Q623 R624	W405-Q620 HydrophobicContact CZ2-CB 4.42Å; E616-Q620 VanDerWaalsContact O-CB 3.3Å; E616-Q620 WeakPolarHBondContact O-CB 3.29Å; E616-Q620 PolarHBondContact O-N 2.63Å; G617-Q620 PolarHBondContact O-N 3.26Å; A618-Q620 VanDerWaalsContact C-N 3.31Å; A618-Q620 PolarHBondContact O-N 3.43Å; Q620-N622 VanDerWaalsContact C-N 3.33Å; Q620-Q623 PolarHBondContact O-N 3.26Å; Q620-R624 WeakPolarHBondContact O-CG 3.39Å; Q620-R624 PolarHBondContact O-N 3.14Å; Q620-R624 VanDerWaalsContact OE1-NH2 3.09Å
621	A	93.9	Very high	91	Very high	48 Å²	48	55.7 Å²	55.7	40%	0.397	29%	0.293	S	S	.	.	H	α-helix	trans	-61.7	-42.7	174.8	0	0	0	0	0	111	G617 A618 R624 R625	G617-A621 WeakPolarHBondContact O-CB 3.25Å; G617-A621 PolarHBondContact O-N 3.43Å; A618-A621 PolarHBondContact O-N 3.02Å; A621-R624 WeakPolarHBondContact O-CB 3.35Å; A621-R624 PolarHBondContact O-N 3.36Å; A621-R625 PolarHBondContact O-N 3.07Å
622	N	95.1	Very high	90.2	Very high	4 Å²	4	57.1 Å²	57.1	2%	0.021	30%	0.298	C	S	.	.	H	α-helix	trans	-64.6	-39.2	174.1	-75.3	-20.6	0	0	0	112.9	G523 C525 S548 D550 F554 A618 A619 Q620 R624 R625 M626	G523-N622 WeakPolarHBondContact O-CB 3.46Å; G523-N622 PolarHBondContact O-ND2 2.69Å; C525-N622 HydrophobicContact CB-CB 3.85Å; S548-N622 PolarHBondContact OG-ND2 3.29Å; D550-N622 PolarHBondContact OD2-ND2 3.34Å; D550-N622 PolarHBondContact OD2-OD1 3.26Å; F554-N622 VanDerWaalsContact CZ-ND2 3.27Å; F554-N622 WeakPolarHBondContact CZ-ND2 3.22Å; A618-N622 PolarHBondContact O-N 3.21Å; A619-N622 PolarHBondContact O-N 3.43Å; Q620-N622 VanDerWaalsContact C-N 3.33Å; N622-R624 VanDerWaalsContact C-N 3.26Å; N622-R624 PolarHBondContact O-N 3.48Å; N622-R625 PolarHBondContact O-N 3.18Å; N622-M626 WeakPolarHBondContact O-CE 3.43Å; N622-M626 WeakPolarHBondContact O-CG 3.09Å; N622-M626 PolarHBondContact O-N 3.26Å
623	Q	93.3	Very high	89.1	Confident	13 Å²	13	56.3 Å²	56.3	6%	0.061	29%	0.293	C	S	.	.	H	α-helix	trans	-58.9	-39.4	173	-171.3	62.7	43.9	0	0	112.3	W405 D406 A619 Q620 N627	W405-Q623 HydrophobicContact CB-CG 4.12Å; W405-Q623 HydrophobicContact CD2-CB 4.26Å; W405-Q623 HydrophobicContact CD2-CG 3.99Å; W405-Q623 HydrophobicContact CG-CB 4.46Å; W405-Q623 HydrophobicContact CG-CG 3.69Å; D406-Q623 VanDerWaalsContact N-NE2 3.19Å; D406-Q623 PolarHBondContact OD2-NE2 3.15Å; A619-Q623 PolarHBondContact O-N 3.49Å; Q620-Q623 PolarHBondContact O-N 3.26Å; Q623-N627 PolarHBondContact NE2-ND2 3.45Å; Q623-N627 VanDerWaalsContact NE2-ND2 3.12Å; Q623-N627 PolarHBondContact O-ND2 3.36Å
624	R	91.2	Very high	88.1	Confident	155 Å²	155	52.7 Å²	52.7	59%	0.585	28%	0.277	S	S	*	.	H	α-helix	trans	-69.3	-46.2	174.6	-66.5	174.1	-168.9	148.7	5.7	111.2	Q620 A621 N622 M626 N627 A628	Q620-R624 WeakPolarHBondContact O-CG 3.39Å; Q620-R624 PolarHBondContact O-N 3.14Å; Q620-R624 VanDerWaalsContact OE1-NH2 3.09Å; A621-R624 WeakPolarHBondContact O-CB 3.35Å; A621-R624 PolarHBondContact O-N 3.36Å; N622-R624 VanDerWaalsContact C-N 3.26Å; N622-R624 PolarHBondContact O-N 3.48Å; R624-M626 VanDerWaalsContact C-N 3.3Å; R624-M626 PolarHBondContact O-N 3.05Å; R624-N627 CarbonylContact O-C 3.49Å; R624-N627 WeakPolarHBondContact O-CA 3.5Å; R624-N627 PolarHBondContact O-N 2.74Å; R624-A628 PolarHBondContact O-N 2.72Å
625	R	90.2	Very high	87	Confident	33 Å²	33	50 Å²	50	13%	0.125	26%	0.263	C	S	.	.	H	α-helix	trans	-54.5	-44.6	178.3	-170.4	-178.8	-164	101.8	0.5	112	A621 N622 N627 A628 V633 L636 N637	A621-R625 PolarHBondContact O-N 3.07Å; N622-R625 PolarHBondContact O-N 3.18Å; R625-N627 PolarHBondContact O-N 3.26Å; R625-A628 PolarHBondContact O-N 3.12Å; R625-V633 WeakPolarHBondContact O-CG2 3.39Å; R625-L636 HydrophobicContact CG-CD1 4.46Å; R625-N637 PolarHBondContact NH2-OD1 3.36Å
626	M	88.9	Confident	86	Confident	7 Å²	7	50.1 Å²	50.1	3%	0.034	26%	0.264	C	S	.	.	H	α-helix	trans	-62.4	-30	176.4	-69.4	-177.3	-77.5	0	0	113	R267 Q291 C525 T527 N622 R624	R267-M626 PolarHBondContact NE-O 3.34Å; R267-M626 PolarHBondContact NH2-O 2.86Å; Q291-M626 PolarHBondContact NE2-SD 3.32Å; C525-M626 HydrophobicContact CB-CG 4.47Å; T527-M626 HydrophobicContact CG2-CB 4.22Å; T527-M626 HydrophobicContact CG2-CG 3.79Å; N622-M626 WeakPolarHBondContact O-CE 3.43Å; N622-M626 WeakPolarHBondContact O-CG 3.09Å; N622-M626 PolarHBondContact O-N 3.26Å; R624-M626 VanDerWaalsContact C-N 3.3Å; R624-M626 PolarHBondContact O-N 3.05Å
627	N	87.9	Confident	84.7	Confident	56 Å²	56	48.8 Å²	48.8	30%	0.299	26%	0.259	S	S	.	.	H	α-helix	trans	-93.5	-9.5	-177.6	-77.9	-75.8	0	0	0	114.8	R265 R267 D406 Q623 R624 R625	R265-N627 PolarHBondContact NH1-OD1 3.36Å; R267-N627 VanDerWaalsContact NH2-CA 3.26Å; R267-N627 PolarHBondContact NH2-OD1 3.4Å; D406-N627 PolarHBondContact OD2-ND2 3.35Å; D406-N627 PolarHBondContact OD2-OD1 3.43Å; Q623-N627 PolarHBondContact NE2-ND2 3.45Å; Q623-N627 VanDerWaalsContact NE2-ND2 3.12Å; Q623-N627 PolarHBondContact O-ND2 3.36Å; R624-N627 CarbonylContact O-C 3.49Å; R624-N627 WeakPolarHBondContact O-CA 3.5Å; R624-N627 PolarHBondContact O-N 2.74Å; R625-N627 PolarHBondContact O-N 3.26Å
628	A	86.2	Confident	83.1	Confident	18 Å²	18	53 Å²	53	15%	0.149	28%	0.275	C	S	.	.	S	Bend	trans	-68.4	152	172.6	0	0	0	0	0	110.4	R624 R625 E632 V633	R624-A628 PolarHBondContact O-N 2.72Å; R625-A628 PolarHBondContact O-N 3.12Å; A628-E632 HydrophobicContact CB-CB 3.89Å; A628-E632 WeakPolarHBondContact CB-OE2 3.49Å; A628-V633 HydrophobicContact CB-CG2 3.82Å
629	D	81.5	Confident	81.3	Confident	66 Å²	66	55.2 Å²	55.2	35%	0.353	30%	0.3	S	S	.	.			trans	-71.5	161.3	173.5	65.8	-86.4	0	0	0	111.2	L631 E632 V633	D629-L631 PolarHBondContact O-N 2.98Å; D629-L631 VanDerWaalsContact O-N 3.14Å; D629-L631 VanDerWaalsContact OD2-CB 3.3Å; D629-L631 WeakPolarHBondContact OD2-CB 3.49Å; D629-L631 PolarHBondContact OD2-N 3.07Å; D629-L631 VanDerWaalsContact OD2-N 3.07Å; D629-E632 WeakPolarHBondContact O-CB 3.15Å; D629-E632 PolarHBondContact O-N 3.06Å; D629-E632 VanDerWaalsContact O-N 3.11Å; D629-E632 WeakPolarHBondContact OD1-CB 3.33Å; D629-E632 WeakPolarHBondContact OD1-CG 3.34Å; D629-E632 PolarHBondContact OD2-N 3.25Å; D629-E632 VanDerWaalsContact OD2-N 3.07Å; D629-V633 WeakPolarHBondContact O-CG2 3.32Å; D629-V633 PolarHBondContact O-N 3.17Å
630	P	76.2	Confident	79.3	Confident	62 Å²	62	60.4 Å²	60.4	40%	0.403	32%	0.319	S	S	.	.	H	α-helix	trans	-58	-30.4	-175.9	-28.1	36.2	0	0	0	115	L266 M634	L266-P630 HydrophobicContact CB-CG 3.65Å; L266-P630 HydrophobicContact CD1-CG 3.85Å; L266-P630 HydrophobicContact CG-CG 4.39Å; P630-M634 WeakPolarHBondContact O-CB 3.48Å; P630-M634 PolarHBondContact O-N 2.99Å
631	L	76.4	Confident	77.1	Confident	106 Å²	106	67.1 Å²	67.1	56%	0.555	34%	0.341	S	S	*	.	H	α-helix	trans	-72.3	-45	177.7	179.6	68.2	0	0	0	110.1	D629 V633 M634 L635	D629-L631 PolarHBondContact O-N 2.98Å; D629-L631 VanDerWaalsContact O-N 3.14Å; D629-L631 VanDerWaalsContact OD2-CB 3.3Å; D629-L631 WeakPolarHBondContact OD2-CB 3.49Å; D629-L631 PolarHBondContact OD2-N 3.07Å; D629-L631 VanDerWaalsContact OD2-N 3.07Å; L631-V633 VanDerWaalsContact C-N 3.34Å; L631-V633 PolarHBondContact O-N 3.3Å; L631-M634 HydrophobicContact CD1-CE 3.87Å; L631-M634 WeakPolarHBondContact O-CB 3.41Å; L631-M634 PolarHBondContact O-N 2.87Å; L631-L635 HydrophobicContact CG-CD1 4.4Å; L631-L635 WeakPolarHBondContact O-CG 3.46Å; L631-L635 PolarHBondContact O-N 3.07Å
632	E	78.1	Confident	74.9	Confident	63 Å²	63	68.4 Å²	68.4	29%	0.294	34%	0.34	S	S	.	.	H	α-helix	trans	-58.4	-45.1	171.9	-77.8	-177.7	174.9	0	0	111.9	A628 D629 M634 L635 L636 I642	A628-E632 HydrophobicContact CB-CB 3.89Å; A628-E632 WeakPolarHBondContact CB-OE2 3.49Å; D629-E632 WeakPolarHBondContact O-CB 3.15Å; D629-E632 PolarHBondContact O-N 3.06Å; D629-E632 VanDerWaalsContact O-N 3.11Å; D629-E632 WeakPolarHBondContact OD1-CB 3.33Å; D629-E632 WeakPolarHBondContact OD1-CG 3.34Å; D629-E632 PolarHBondContact OD2-N 3.25Å; D629-E632 VanDerWaalsContact OD2-N 3.07Å; E632-M634 VanDerWaalsContact C-N 3.31Å; E632-M634 PolarHBondContact O-N 3.42Å; E632-L635 PolarHBondContact O-N 3Å; E632-L636 WeakPolarHBondContact O-CB 3.42Å; E632-L636 VanDerWaalsContact O-CG 3.23Å; E632-L636 WeakPolarHBondContact O-CG 3.41Å; E632-L636 PolarHBondContact O-N 2.67Å; E632-I642 HydrophobicContact CB-CD1 4.15Å; E632-I642 HydrophobicContact CG-CD1 3.72Å
633	V	73.1	Confident	72.1	Confident	17 Å²	17	74.8 Å²	74.8	10%	0.103	38%	0.38	C	S	.	.	H	α-helix	trans	-60.7	-41.4	176.1	174.8	0	0	0	0	111.2	R625 A628 D629 L631 L636 N637	R625-V633 WeakPolarHBondContact O-CG2 3.39Å; A628-V633 HydrophobicContact CB-CG2 3.82Å; D629-V633 WeakPolarHBondContact O-CG2 3.32Å; D629-V633 PolarHBondContact O-N 3.17Å; L631-V633 VanDerWaalsContact C-N 3.34Å; L631-V633 PolarHBondContact O-N 3.3Å; V633-L636 PolarHBondContact O-N 2.87Å; V633-N637 WeakPolarHBondContact O-CB 3.26Å; V633-N637 PolarHBondContact O-N 3.01Å; V633-N637 PolarHBondContact O-ND2 3.12Å; V633-N637 VanDerWaalsContact O-ND2 3.16Å
634	M	71.3	Confident	69.6	Low	87 Å²	87	77.4 Å²	77.4	43%	0.429	41%	0.41	S	S	.	.	H	α-helix	trans	-62.4	-43.8	175.2	-171.3	-174.9	80.7	0	0	111.7	P630 L631 E632 N637 M638	P630-M634 WeakPolarHBondContact O-CB 3.48Å; P630-M634 PolarHBondContact O-N 2.99Å; L631-M634 HydrophobicContact CD1-CE 3.87Å; L631-M634 WeakPolarHBondContact O-CB 3.41Å; L631-M634 PolarHBondContact O-N 2.87Å; E632-M634 VanDerWaalsContact C-N 3.31Å; E632-M634 PolarHBondContact O-N 3.42Å; M634-N637 WeakPolarHBondContact O-CB 3.39Å; M634-N637 PolarHBondContact O-N 3.1Å; M634-M638 HydrophobicContact CE-CE 4.26Å; M634-M638 HydrophobicContact CE-SD 4.49Å; M634-M638 HydrophobicContact CG-CE 3.87Å; M634-M638 HydrophobicContact CG-SD 4.39Å; M634-M638 WeakPolarHBondContact O-CG 3.32Å; M634-M638 PolarHBondContact O-N 3.24Å; M634-M638 HydrophobicContact SD-CE 4.11Å
635	L	72.8	Confident	67.2	Low	50 Å²	50	76.9 Å²	76.9	26%	0.262	42%	0.418	S	S	.	.	H	α-helix	trans	-63.6	-42.5	176.5	-70.6	170.8	0	0	0	111.7	L631 E632 N637 M638 G639 Y640 I642	L631-L635 HydrophobicContact CG-CD1 4.4Å; L631-L635 WeakPolarHBondContact O-CG 3.46Å; L631-L635 PolarHBondContact O-N 3.07Å; E632-L635 PolarHBondContact O-N 3Å; L635-N637 VanDerWaalsContact C-N 3.33Å; L635-N637 PolarHBondContact O-N 2.89Å; L635-M638 CarbonylContact O-C 3.2Å; L635-M638 PolarHBondContact O-N 3.24Å; L635-M638 VanDerWaalsContact O-N 3.13Å; L635-G639 PolarHBondContact O-N 3.06Å; L635-Y640 HydrophobicContact CD2-CD2 4.07Å; L635-Y640 HydrophobicContact CD2-CG 4.36Å; L635-Y640 WeakPolarHBondContact O-CB 3.37Å; L635-Y640 PolarHBondContact O-N 2.99Å; L635-I642 HydrophobicContact CB-CD1 4.38Å; L635-I642 HydrophobicContact CD1-CD1 4.08Å
636	L	72.6	Confident	64.5	Low	65 Å²	65	85.3 Å²	85.3	34%	0.34	45%	0.45	S	S	.	.	H	α-helix	trans	-63.8	-37	174.7	-70.2	170.3	0	0	0	112.1	R625 E632 V633 M638 G639	R625-L636 HydrophobicContact CG-CD1 4.46Å; E632-L636 WeakPolarHBondContact O-CB 3.42Å; E632-L636 VanDerWaalsContact O-CG 3.23Å; E632-L636 WeakPolarHBondContact O-CG 3.41Å; E632-L636 PolarHBondContact O-N 2.67Å; V633-L636 PolarHBondContact O-N 2.87Å; L636-M638 VanDerWaalsContact C-N 3.29Å; L636-G639 PolarHBondContact O-N 2.98Å
637	N	66.6	Low	61.8	Low	52 Å²	52	88.4 Å²	88.4	28%	0.278	48%	0.483	S	S	.	.	H	α-helix	trans	-66.6	-30.3	173.1	-84.2	-42.8	0	0	0	112.2	T528 R625 V633 M634 L635 G639	T528-N637 WeakPolarHBondContact CG2-ND2 3.2Å; T528-N637 PolarHBondContact OG1-ND2 3.43Å; R625-N637 PolarHBondContact NH2-OD1 3.36Å; V633-N637 WeakPolarHBondContact O-CB 3.26Å; V633-N637 PolarHBondContact O-N 3.01Å; V633-N637 PolarHBondContact O-ND2 3.12Å; V633-N637 VanDerWaalsContact O-ND2 3.16Å; M634-N637 WeakPolarHBondContact O-CB 3.39Å; M634-N637 PolarHBondContact O-N 3.1Å; L635-N637 VanDerWaalsContact C-N 3.33Å; L635-N637 PolarHBondContact O-N 2.89Å; N637-G639 VanDerWaalsContact C-N 3.29Å; N637-G639 PolarHBondContact O-N 2.69Å
638	M	63.3	Low	59	Low	108 Å²	108	93.2 Å²	93.2	53%	0.532	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	6.8	177.8	-71.6	179.5	-179.6	0	0	113.6	M634 L635 L636 Y640	M634-M638 HydrophobicContact CE-CE 4.26Å; M634-M638 HydrophobicContact CE-SD 4.49Å; M634-M638 HydrophobicContact CG-CE 3.87Å; M634-M638 HydrophobicContact CG-SD 4.39Å; M634-M638 WeakPolarHBondContact O-CG 3.32Å; M634-M638 PolarHBondContact O-N 3.24Å; M634-M638 HydrophobicContact SD-CE 4.11Å; L635-M638 CarbonylContact O-C 3.2Å; L635-M638 PolarHBondContact O-N 3.24Å; L635-M638 VanDerWaalsContact O-N 3.13Å; L636-M638 VanDerWaalsContact C-N 3.29Å; M638-Y640 VanDerWaalsContact C-N 3.31Å; M638-Y640 HydrophobicContact CB-CD2 3.7Å; M638-Y640 HydrophobicContact CB-CE2 3.92Å; M638-Y640 PolarHBondContact O-N 3.03Å
639	G	58	Low	56.3	Low	63 Å²	63	95 Å²	95	65%	0.649	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.2	5.1	178.8	0	0	0	0	0	115	L635 L636 N637 R641	L635-G639 PolarHBondContact O-N 3.06Å; L636-G639 PolarHBondContact O-N 2.98Å; N637-G639 VanDerWaalsContact C-N 3.29Å; N637-G639 PolarHBondContact O-N 2.69Å; G639-R641 PolarHBondContact O-N 3.39Å
640	Y	53.9	Low	54.1	Low	112 Å²	112	97.6 Å²	97.6	44%	0.439	55%	0.554	S	S	.	*			trans	-73.7	121.1	175.9	-70.5	-85.1	0	0	0	110.7	L635 M638 I642	L635-Y640 HydrophobicContact CD2-CD2 4.07Å; L635-Y640 HydrophobicContact CD2-CG 4.36Å; L635-Y640 WeakPolarHBondContact O-CB 3.37Å; L635-Y640 PolarHBondContact O-N 2.99Å; M638-Y640 VanDerWaalsContact C-N 3.31Å; M638-Y640 HydrophobicContact CB-CD2 3.7Å; M638-Y640 HydrophobicContact CB-CE2 3.92Å; M638-Y640 PolarHBondContact O-N 3.03Å; Y640-I642 PolarHBondContact O-N 3.24Å
641	R	48.9	Very low	52	Low	225 Å²	225	101.7 Å²	101.7	85%	0.849	57%	0.573	S	S	*	*			trans	-80.9	112.2	165.9	-67.2	-178.2	-180	174	1.8	108.4	G639 T643	G639-R641 PolarHBondContact O-N 3.39Å; R641-T643 PolarHBondContact O-N 3.13Å
642	I	47.8	Very low	49.8	Very low	74 Å²	74	100.2 Å²	100.2	38%	0.379	58%	0.583	S	S	.	*			trans	-73.6	98.3	173.3	-56.5	177.9	0	0	0	108.2	E632 L635 Y640 G644	E632-I642 HydrophobicContact CB-CD1 4.15Å; E632-I642 HydrophobicContact CG-CD1 3.72Å; L635-I642 HydrophobicContact CB-CD1 4.38Å; L635-I642 HydrophobicContact CD1-CD1 4.08Å; Y640-I642 PolarHBondContact O-N 3.24Å; I642-G644 PolarHBondContact O-N 3.28Å
643	T	36.2	Very low	47.4	Very low	139 Å²	139	102.3 Å²	102.3	85%	0.853	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71	108.5	169.9	45.5	0	0	0	0	109.1	R641	R641-T643 PolarHBondContact O-N 3.13Å
644	G	40.3	Very low	45.4	Very low	68 Å²	68	108.8 Å²	108.8	70%	0.701	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	167.1	-9.8	178.1	0	0	0	0	0	116.5	I642	I642-G644 PolarHBondContact O-N 3.28Å
645	L	40.9	Very low	43.6	Very low	143 Å²	143	111.8 Å²	111.8	75%	0.749	66%	0.657	S	S	*	*			trans	-121.1	45	-176.3	-78	157.3	0	0	0	113.1	G647	L645-G647 PolarHBondContact O-N 2.93Å
646	R	34.3	Very low	41.6	Very low	211 Å²	211	117.7 Å²	117.7	80%	0.796	68%	0.683	S	S	*	*			trans	-67.7	116.7	148.5	-85.9	-169.6	177.8	-164.1	3.9	105.9	V648	R646-V648 PolarHBondContact O-N 3.37Å
647	G	31.5	Very low	39.5	Very low	71 Å²	71	122 Å²	122	73%	0.732	71%	0.706	S	S	*	*			trans	-50.2	128.6	159.6	0	0	0	0	0	107.6	L645 G649	L645-G647 PolarHBondContact O-N 2.93Å; G647-G649 VanDerWaalsContact C-N 3.32Å; G647-G649 PolarHBondContact O-N 3.45Å
648	V	28.3	Very low	37.7	Very low	158 Å²	158	125 Å²	125	96%	0.958	73%	0.731	S	S	*	*			trans	-56.5	99.2	175.8	178.2	0	0	0	0	108	R646	R646-V648 PolarHBondContact O-N 3.37Å
649	G	30.1	Very low	36	Very low	54 Å²	54	125.2 Å²	125.2	56%	0.557	74%	0.744	S	S	*	*			trans	-120.2	139.4	158.1	0	0	0	0	0	106.5	G647 D651	G647-G649 VanDerWaalsContact C-N 3.32Å; G647-G649 PolarHBondContact O-N 3.45Å; G649-D651 PolarHBondContact O-N 2.84Å
650	P	34.7	Very low	34.6	Very low	121 Å²	121	131.6 Å²	131.6	79%	0.786	76%	0.757	S	S	*	*	S	Bend	trans	-74.9	115.4	-171.3	31.9	-30.3	0	0	0	108.6
651	D	32.4	Very low	33.3	Very low	149 Å²	149	129.3 Å²	129.3	80%	0.797	77%	0.767	S	S	*	*			trans	158.8	124	133.8	-78.3	-17.3	0	0	0	109.1	G649	G649-D651 PolarHBondContact O-N 2.84Å
652	G	29.9	Very low	32.2	Very low	74 Å²	74	122.9 Å²	122.9	76%	0.763	75%	0.754	S	S	*	*			trans	-87	152.8	-176.9	0	0	0	0	0	113.2
653	S	28.7	Very low	31.4	Very low	108 Å²	108	125.9 Å²	125.9	76%	0.755	78%	0.776	S	S	*	*			trans	-171.3	123.1	134.3	58.3	0	0	0	0	107.4
654	D	32	Very low	31	Very low	152 Å²	152	127.3 Å²	127.3	81%	0.813	77%	0.773	S	S	*	*			trans	-70.9	174.7	175.6	-70.3	-44.9	0	0	0	112.5
655	D	31.4	Very low	30.4	Very low	151 Å²	151	130.3 Å²	130.3	81%	0.807	78%	0.782	S	S	*	*			trans	119.5	135.3	164.2	-59.4	-16	0	0	0	112.7
656	E	31.8	Very low	29.7	Very low	174 Å²	174	134.1 Å²	134.1	81%	0.813	79%	0.786	S	S	*	*			cis	-160.6	156.4	-15.6	-112.1	-173.2	174.3	0	0	106.7
657	D	28.7	Very low	29.5	Very low	154 Å²	154	130.6 Å²	130.6	82%	0.824	79%	0.788	S	S	*	*			trans	14.4	132.8	158.5	-88.1	-22.5	0	0	0	124
658	S	27.8	Very low	29.4	Very low	115 Å²	115	136.6 Å²	136.6	80%	0.804	82%	0.819	S	S	*	*			trans	-153.7	115.7	134.8	67.8	0	0	0	0	111.3
659	S	28.6	Very low	29.4	Very low	114 Å²	114	135.6 Å²	135.6	80%	0.797	81%	0.812	S	S	*	*			trans	-77.3	120.5	178.5	54.1	0	0	0	0	112.9
660	E	29.3	Very low	29.4	Very low	197 Å²	197	139.8 Å²	139.8	92%	0.921	83%	0.826	S	S	*	*			trans	-136.6	130	153.4	-74.5	-162.4	158.6	0	0	109.3
661	G	26.1	Very low	29.1	Very low	64 Å²	64	140.9 Å²	140.9	66%	0.66	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-76	158.9	-172.2	0	0	0	0	0	113.7	V663	G661-V663 PolarHBondContact O-N 3.48Å
662	P	26.5	Very low	28.9	Very low	89 Å²	89	140.4 Å²	140.4	58%	0.578	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-75.5	125	-176.7	29.9	-33.4	0	0	0	111.8
663	V	30.8	Very low	28.9	Very low	138 Å²	138	144.6 Å²	144.6	84%	0.836	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-81.6	122.3	167.2	179.5	0	0	0	0	108.8	G661 C665	G661-V663 PolarHBondContact O-N 3.48Å; V663-C665 PolarHBondContact O-N 3.4Å
664	Q	27.2	Very low	28.9	Very low	168 Å²	168	147 Å²	147	79%	0.785	84%	0.839	S	S	*	*			trans	-75.4	114.1	-179.8	-77.8	177.8	-20.2	0	0	111.8
665	C	27.9	Very low	28.7	Very low	131 Å²	131	146.6 Å²	146.6	89%	0.885	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-84	116.6	157.4	-70.3	0	0	0	0	109.1	V663	V663-C665 PolarHBondContact O-N 3.4Å
666	R	26.5	Very low	28.4	Very low	224 Å²	224	146.3 Å²	146.3	85%	0.845	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-91	132.3	169.2	-82	-173	176.6	-177.8	-0.2	110.3
667	T	29.1	Very low	28.2	Very low	137 Å²	137	144 Å²	144	84%	0.84	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-71.8	134.4	166.2	46.1	0	0	0	0	111.3
668	S	29.6	Very low	28.1	Very low	197 Å²	197	143.1 Å²	143.1	100%	1.378	85%	0.848	S	S	*	*			trans	-154.3	0	153.6	-61.2	0	0	0	0	108.8

Retrieved 668 of 668 residues in 1429.5 ms (Link to these results)

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