A0A3Q0KBM0_SCHMA Loading...

Tubulin-specific chaperone cofactor E-like protein

AlphaFold DB , UniProt , Accession A0A3Q0KBM0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 600 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	58.9	Low	88.7	Confident	188 Å²	188	49.6 Å²	49.6	93%	0.926	24%	0.235	S	C	*	.				0	131.9	0	-65.8	-168.4	-153.7	0	0	107.1	K51	M1-K51 HydrophobicContact CB-CD 4.04Å; M1-K51 HydrophobicContact CG-CD 3.72Å; M1-K51 HydrophobicContact SD-CD 3.24Å; M1-K51 WeakPolarHBondContact SD-CD 3.48Å; M1-K51 PolarHBondContact SD-NZ 3.44Å
2	A	84.8	Confident	88	Confident	8 Å²	8	47 Å²	47	7%	0.066	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	137.5	-176.5	0	0	0	0	0	110.9	R10 I50 K51	A2-R10 VanDerWaalsContact CB-NH1 3.33Å; A2-I50 WeakPolarHBondContact O-CA 3.49Å; A2-K51 PolarHBondContact O-N 2.92Å; A2-K51 VanDerWaalsContact O-N 3.12Å
3	T	95.3	Very high	87.7	Confident	27 Å²	27	51.8 Å²	51.8	17%	0.166	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	161.2	161.2	69.4	0	0	0	0	110.1	V5 D6 A7 S52	T3-V5 PolarHBondContact O-N 3.44Å; T3-D6 WeakPolarHBondContact CB-OD2 3.42Å; T3-D6 WeakPolarHBondContact CG2-OD2 3.16Å; T3-D6 PolarHBondContact N-OD2 2.79Å; T3-D6 PolarHBondContact O-N 3.45Å; T3-D6 PolarHBondContact OG1-N 3.19Å; T3-D6 PolarHBondContact OG1-OD1 3.47Å; T3-D6 PolarHBondContact OG1-OD2 3.33Å; T3-A7 PolarHBondContact O-N 3.43Å; T3-S52 CarbonylContact C-O 3.58Å; T3-S52 WeakPolarHBondContact CA-O 3.4Å
4	L	95.7	Very high	87.3	Confident	2 Å²	2	58.4 Å²	58.4	1%	0.01	27%	0.272	C	S	.	.	H	α-helix	trans	-56.9	-42.3	171.9	173.6	56.7	0	0	0	110.5	A7 I8 M45 I50 S52 I53 L59 L69 L71	L4-A7 PolarHBondContact O-N 3Å; L4-I8 HydrophobicContact CD1-CD1 3.77Å; L4-I8 HydrophobicContact CD1-CG1 3.93Å; L4-I8 HydrophobicContact CG-CD1 3.78Å; L4-I8 HydrophobicContact CG-CG1 4.37Å; L4-I8 WeakPolarHBondContact O-CB 3.17Å; L4-I8 VanDerWaalsContact O-CG1 3.23Å; L4-I8 WeakPolarHBondContact O-CG1 3.44Å; L4-I8 PolarHBondContact O-N 2.88Å; L4-M45 HydrophobicContact CD1-CB 4.15Å; L4-M45 HydrophobicContact CD1-CG 3.95Å; L4-I50 HydrophobicContact CB-CG2 4.06Å; L4-I50 HydrophobicContact CD1-CD1 3.89Å; L4-S52 PolarHBondContact N-O 3.41Å; L4-I53 WeakPolarHBondContact CB-O 3.38Å; L4-I53 HydrophobicContact CD2-CD1 4.23Å; L4-I53 HydrophobicContact CD2-CG2 4.49Å; L4-I53 PolarHBondContact N-O 3.01Å; L4-L59 HydrophobicContact CD2-CD1 3.74Å; L4-L59 HydrophobicContact CG-CD1 4Å; L4-L69 HydrophobicContact CD2-CD2 4.43Å; L4-L71 HydrophobicContact CD1-CD2 3.73Å; L4-L71 HydrophobicContact CD2-CD2 4.42Å
5	V	94.4	Very high	86.5	Confident	5 Å²	5	58 Å²	58	3%	0.03	27%	0.272	C	S	.	.	H	α-helix	trans	-59.6	-46.7	175.8	173.9	0	0	0	0	111.7	T3 A7 I8 Q9 I53 E58 L59	T3-V5 PolarHBondContact O-N 3.44Å; V5-A7 VanDerWaalsContact C-N 3.3Å; V5-A7 PolarHBondContact O-N 2.79Å; V5-I8 PolarHBondContact O-N 3.45Å; V5-Q9 WeakPolarHBondContact O-CG 3.4Å; V5-Q9 PolarHBondContact O-N 3.33Å; V5-I53 WeakPolarHBondContact CG2-O 3.39Å; V5-I53 PolarHBondContact N-O 3.48Å; V5-I53 VanDerWaalsContact N-O 3.08Å; V5-E58 HydrophobicContact CG1-CB 3.71Å; V5-E58 WeakPolarHBondContact CG1-OE2 3.35Å; V5-E58 HydrophobicContact CG2-CB 4.32Å; V5-L59 HydrophobicContact CG2-CB 3.89Å; V5-L59 HydrophobicContact CG2-CD1 4.38Å
6	D	93.5	Very high	85.6	Confident	52 Å²	52	59 Å²	59	28%	0.278	28%	0.283	S	S	.	.	H	α-helix	trans	-61.1	-41.4	177.3	-56.6	-39.8	0	0	0	111.4	T3 Q9 R10	T3-D6 WeakPolarHBondContact CB-OD2 3.42Å; T3-D6 WeakPolarHBondContact CG2-OD2 3.16Å; T3-D6 PolarHBondContact N-OD2 2.79Å; T3-D6 PolarHBondContact O-N 3.45Å; T3-D6 PolarHBondContact OG1-N 3.19Å; T3-D6 PolarHBondContact OG1-OD1 3.47Å; T3-D6 PolarHBondContact OG1-OD2 3.33Å; D6-Q9 PolarHBondContact O-N 2.82Å; D6-R10 WeakPolarHBondContact O-CG 3.34Å; D6-R10 PolarHBondContact O-N 3.33Å
7	A	93.8	Very high	84.7	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-66.4	-41.8	-180	0	0	0	0	0	111.3	T3 L4 V5 R10 K11 M45 Q48 I50	T3-A7 PolarHBondContact O-N 3.43Å; L4-A7 PolarHBondContact O-N 3Å; V5-A7 VanDerWaalsContact C-N 3.3Å; V5-A7 PolarHBondContact O-N 2.79Å; A7-R10 PolarHBondContact O-N 2.98Å; A7-K11 WeakPolarHBondContact O-CB 3.27Å; A7-K11 PolarHBondContact O-N 2.98Å; A7-M45 HydrophobicContact CB-CE 3.36Å; A7-M45 WeakPolarHBondContact O-CE 3.11Å; A7-Q48 HydrophobicContact CB-CB 4.12Å; A7-Q48 HydrophobicContact CB-CG 4.48Å; A7-I50 HydrophobicContact CB-CD1 3.85Å; A7-I50 HydrophobicContact CB-CG1 3.91Å
8	I	91.9	Very high	83.4	Confident	3 Å²	3	63.7 Å²	63.7	2%	0.015	31%	0.311	C	S	.	.	H	α-helix	trans	-59.4	-48.4	174.8	-75.9	173.5	0	0	0	109.9	L4 V5 K11 Q12 F38 L43 M45 L59 A62 A63	L4-I8 HydrophobicContact CD1-CD1 3.77Å; L4-I8 HydrophobicContact CD1-CG1 3.93Å; L4-I8 HydrophobicContact CG-CD1 3.78Å; L4-I8 HydrophobicContact CG-CG1 4.37Å; L4-I8 WeakPolarHBondContact O-CB 3.17Å; L4-I8 VanDerWaalsContact O-CG1 3.23Å; L4-I8 WeakPolarHBondContact O-CG1 3.44Å; L4-I8 PolarHBondContact O-N 2.88Å; V5-I8 PolarHBondContact O-N 3.45Å; I8-K11 PolarHBondContact O-N 2.96Å; I8-Q12 WeakPolarHBondContact O-CG 3.43Å; I8-Q12 PolarHBondContact O-N 3.28Å; I8-F38 HydrophobicContact CB-CE2 4.37Å; I8-F38 HydrophobicContact CG2-CD2 3.98Å; I8-F38 HydrophobicContact CG2-CE2 3.55Å; I8-L43 HydrophobicContact CD1-CD2 3.88Å; I8-L43 HydrophobicContact CG1-CD2 4.09Å; I8-M45 HydrophobicContact CG1-CE 4.01Å; I8-M45 HydrophobicContact CG1-CG 4.39Å; I8-M45 HydrophobicContact CG1-SD 4.13Å; I8-L59 HydrophobicContact CD1-CD1 3.71Å; I8-A62 HydrophobicContact CG2-CB 3.63Å; I8-A63 HydrophobicContact CD1-CB 4.4Å
9	Q	88.9	Confident	82	Confident	73 Å²	73	68.1 Å²	68.1	34%	0.341	33%	0.331	S	S	.	.	H	α-helix	trans	-59.8	-47.9	178	-72.3	174.3	2.4	0	0	111.6	V5 D6 K11 Q12 E13	V5-Q9 WeakPolarHBondContact O-CG 3.4Å; V5-Q9 PolarHBondContact O-N 3.33Å; D6-Q9 PolarHBondContact O-N 2.82Å; Q9-K11 VanDerWaalsContact C-N 3.29Å; Q9-K11 PolarHBondContact O-N 3.46Å; Q9-Q12 WeakPolarHBondContact O-CA 3.19Å; Q9-Q12 WeakPolarHBondContact O-CB 3.37Å; Q9-Q12 PolarHBondContact O-N 2.79Å; Q9-E13 WeakPolarHBondContact O-CG 3.46Å; Q9-E13 PolarHBondContact O-N 3.3Å
10	R	89.7	Confident	80.7	Confident	116 Å²	116	71.1 Å²	71.1	44%	0.438	35%	0.347	S	S	.	.	H	α-helix	trans	-58.6	-39.2	175.3	-71.5	179.4	-160.1	124.1	9.3	112.7	A2 D6 A7 Q12 E13 K14	A2-R10 VanDerWaalsContact CB-NH1 3.33Å; D6-R10 WeakPolarHBondContact O-CG 3.34Å; D6-R10 PolarHBondContact O-N 3.33Å; A7-R10 PolarHBondContact O-N 2.98Å; R10-Q12 VanDerWaalsContact C-N 3.33Å; R10-E13 PolarHBondContact O-N 3.37Å; R10-K14 WeakPolarHBondContact O-CG 3.32Å; R10-K14 PolarHBondContact O-N 3.16Å; R10-K14 VanDerWaalsContact O-N 3.14Å
11	K	88.5	Confident	79.4	Confident	72 Å²	72	69.4 Å²	69.4	31%	0.313	34%	0.34	S	S	.	.	H	α-helix	trans	-67	-36.2	176.9	-171.6	174.2	-173.3	177.5	0	111.3	A7 I8 Q9 L15 F38 T44 M45	A7-K11 WeakPolarHBondContact O-CB 3.27Å; A7-K11 PolarHBondContact O-N 2.98Å; I8-K11 PolarHBondContact O-N 2.96Å; Q9-K11 VanDerWaalsContact C-N 3.29Å; Q9-K11 PolarHBondContact O-N 3.46Å; K11-L15 HydrophobicContact CG-CD1 4.49Å; K11-L15 VanDerWaalsContact O-CG 3.29Å; K11-L15 WeakPolarHBondContact O-CG 3.36Å; K11-L15 PolarHBondContact O-N 2.93Å; K11-L15 VanDerWaalsContact O-N 3.17Å; K11-F38 HydrophobicContact CB-CZ 4.03Å; K11-F38 HydrophobicContact CD-CE1 4.36Å; K11-F38 HydrophobicContact CD-CZ 4.13Å; K11-F38 HydrophobicContact CG-CE1 4.35Å; K11-F38 HydrophobicContact CG-CZ 3.96Å; K11-T44 PolarHBondContact NZ-O 2.96Å; K11-M45 HydrophobicContact CD-SD 3.63Å
12	Q	81.1	Confident	78.9	Confident	18 Å²	18	64.3 Å²	64.3	8%	0.084	32%	0.319	C	S	.	.	H	α-helix	trans	-65.9	-45.6	174.2	-68.4	170	-18.5	0	0	111.6	I8 Q9 R10 K14 L15 T16 I36 F38	I8-Q12 WeakPolarHBondContact O-CG 3.43Å; I8-Q12 PolarHBondContact O-N 3.28Å; Q9-Q12 WeakPolarHBondContact O-CA 3.19Å; Q9-Q12 WeakPolarHBondContact O-CB 3.37Å; Q9-Q12 PolarHBondContact O-N 2.79Å; R10-Q12 VanDerWaalsContact C-N 3.33Å; Q12-K14 PolarHBondContact O-N 2.97Å; Q12-L15 WeakPolarHBondContact O-CB 3.09Å; Q12-L15 PolarHBondContact O-N 3.38Å; Q12-L15 VanDerWaalsContact O-N 3.13Å; Q12-T16 PolarHBondContact O-N 2.94Å; Q12-T16 PolarHBondContact O-OG1 3.41Å; Q12-I36 HydrophobicContact CB-CG2 4.19Å; Q12-I36 HydrophobicContact CG-CG2 3.93Å; Q12-F38 HydrophobicContact CB-CZ 4.48Å; Q12-F38 HydrophobicContact CG-CD2 3.95Å; Q12-F38 HydrophobicContact CG-CE1 4.28Å; Q12-F38 HydrophobicContact CG-CE2 3.19Å; Q12-F38 HydrophobicContact CG-CZ 3.39Å; Q12-F38 VanDerWaalsContact NE2-CE2 3.27Å
13	E	83.4	Confident	77.1	Confident	110 Å²	110	66.9 Å²	66.9	51%	0.514	35%	0.346	S	S	.	.	H	α-helix	trans	-56.3	-50.5	177.9	-71.2	169.3	172	0	0	111.1	Q9 R10 L15 T16 E17	Q9-E13 WeakPolarHBondContact O-CG 3.46Å; Q9-E13 PolarHBondContact O-N 3.3Å; R10-E13 PolarHBondContact O-N 3.37Å; E13-L15 VanDerWaalsContact C-N 3.29Å; E13-L15 PolarHBondContact O-N 3.22Å; E13-T16 WeakPolarHBondContact CA-OG1 3.44Å; E13-T16 PolarHBondContact O-N 3.14Å; E13-T16 PolarHBondContact O-OG1 3.02Å; E13-E17 WeakPolarHBondContact O-CG 3.33Å; E13-E17 PolarHBondContact O-N 3.43Å
14	K	82.9	Confident	74.7	Confident	144 Å²	144	72.6 Å²	72.6	63%	0.626	37%	0.371	S	S	*	.	H	α-helix	trans	-57	-40.6	175.5	-71.7	179.5	-180	-177.1	0	112.9	R10 Q12 S18	R10-K14 WeakPolarHBondContact O-CG 3.32Å; R10-K14 PolarHBondContact O-N 3.16Å; R10-K14 VanDerWaalsContact O-N 3.14Å; Q12-K14 PolarHBondContact O-N 2.97Å; K14-S18 WeakPolarHBondContact O-CB 3.18Å; K14-S18 PolarHBondContact O-N 3.3Å; K14-S18 VanDerWaalsContact O-N 3.12Å; K14-S18 PolarHBondContact O-OG 3.04Å
15	L	75.1	Confident	72.4	Confident	52 Å²	52	76 Å²	76	27%	0.272	39%	0.388	S	S	.	.	H	α-helix	trans	-67.8	-37	177.4	-76.1	171.4	0	0	0	112.2	K11 Q12 E13 S18 L21 F38	K11-L15 HydrophobicContact CG-CD1 4.49Å; K11-L15 VanDerWaalsContact O-CG 3.29Å; K11-L15 WeakPolarHBondContact O-CG 3.36Å; K11-L15 PolarHBondContact O-N 2.93Å; K11-L15 VanDerWaalsContact O-N 3.17Å; Q12-L15 WeakPolarHBondContact O-CB 3.09Å; Q12-L15 PolarHBondContact O-N 3.38Å; Q12-L15 VanDerWaalsContact O-N 3.13Å; E13-L15 VanDerWaalsContact C-N 3.29Å; E13-L15 PolarHBondContact O-N 3.22Å; L15-S18 PolarHBondContact O-OG 3.44Å; L15-L21 HydrophobicContact CB-CD1 3.77Å; L15-L21 HydrophobicContact CD1-CD1 4.16Å; L15-L21 HydrophobicContact CD2-CD1 4.35Å; L15-L21 HydrophobicContact CG-CD1 4.33Å; L15-F38 HydrophobicContact CD1-CE1 3.61Å; L15-F38 HydrophobicContact CD1-CZ 4.3Å
16	T	72.2	Confident	69.9	Low	74 Å²	74	83.7 Å²	83.7	45%	0.454	42%	0.424	S	S	.	.	H	α-helix	trans	-70.3	-38.8	175.8	53.5	0	0	0	0	112.8	Q12 E13 S18 H19 I25	Q12-T16 PolarHBondContact O-N 2.94Å; Q12-T16 PolarHBondContact O-OG1 3.41Å; E13-T16 WeakPolarHBondContact CA-OG1 3.44Å; E13-T16 PolarHBondContact O-N 3.14Å; E13-T16 PolarHBondContact O-OG1 3.02Å; T16-S18 VanDerWaalsContact C-N 3.32Å; T16-S18 PolarHBondContact O-N 3.48Å; T16-H19 PolarHBondContact O-N 3.07Å; T16-I25 HydrophobicContact CG2-CD1 4.27Å
17	E	69.9	Low	67.5	Low	147 Å²	147	90.7 Å²	90.7	69%	0.687	45%	0.452	S	S	*	.	H	α-helix	trans	-65	-35.4	176.2	-72.6	178.2	173	0	0	112.3	E13 H19	E13-E17 WeakPolarHBondContact O-CG 3.33Å; E13-E17 PolarHBondContact O-N 3.43Å; E17-H19 PolarHBondContact O-N 3.47Å; E17-H19 VanDerWaalsContact O-N 3.08Å
18	S	61.2	Low	65	Low	55 Å²	55	96.3 Å²	96.3	39%	0.385	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-1.4	-179	69.5	0	0	0	0	115.3	K14 L15 T16 I20	K14-S18 WeakPolarHBondContact O-CB 3.18Å; K14-S18 PolarHBondContact O-N 3.3Å; K14-S18 VanDerWaalsContact O-N 3.12Å; K14-S18 PolarHBondContact O-OG 3.04Å; L15-S18 PolarHBondContact O-OG 3.44Å; T16-S18 VanDerWaalsContact C-N 3.32Å; T16-S18 PolarHBondContact O-N 3.48Å; S18-I20 PolarHBondContact O-N 3.26Å; S18-I20 WeakPolarHBondContact OG-CD1 3.39Å; S18-I20 WeakPolarHBondContact OG-CG1 3.46Å
19	H	57.2	Low	62.2	Low	148 Å²	148	98.8 Å²	98.8	69%	0.685	50%	0.503	S	S	*	.	S	Bend	trans	55.9	2.1	-171.5	-64.7	-60.1	0	0	0	116	T16 E17 L21 V22	T16-H19 PolarHBondContact O-N 3.07Å; E17-H19 PolarHBondContact O-N 3.47Å; E17-H19 VanDerWaalsContact O-N 3.08Å; H19-L21 PolarHBondContact O-N 3.25Å; H19-L21 VanDerWaalsContact O-N 3.16Å; H19-V22 HydrophobicContact CB-CG2 4.06Å; H19-V22 PolarHBondContact O-N 3.17Å
20	I	56.4	Low	59.6	Low	128 Å²	128	102.7 Å²	102.7	66%	0.656	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-24.5	-176.6	-64.4	173.9	0	0	0	111.8	S18	S18-I20 PolarHBondContact O-N 3.26Å; S18-I20 WeakPolarHBondContact OG-CD1 3.39Å; S18-I20 WeakPolarHBondContact OG-CG1 3.46Å
21	L	52.9	Low	57.1	Low	35 Å²	35	108 Å²	108	18%	0.183	55%	0.546	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-1.1	-176.8	-101.8	133.6	0	0	0	115.7	L15 H19 G23 H24 I25	L15-L21 HydrophobicContact CB-CD1 3.77Å; L15-L21 HydrophobicContact CD1-CD1 4.16Å; L15-L21 HydrophobicContact CD2-CD1 4.35Å; L15-L21 HydrophobicContact CG-CD1 4.33Å; H19-L21 PolarHBondContact O-N 3.25Å; H19-L21 VanDerWaalsContact O-N 3.16Å; L21-G23 PolarHBondContact O-N 3.46Å; L21-G23 VanDerWaalsContact O-N 3.07Å; L21-H24 HydrophobicContact CD2-CB 4.2Å; L21-H24 PolarHBondContact O-N 3.14Å; L21-I25 HydrophobicContact CB-CD1 3.75Å; L21-I25 HydrophobicContact CB-CG1 4.11Å; L21-I25 HydrophobicContact CD2-CD1 4.2Å; L21-I25 HydrophobicContact CD2-CG1 3.84Å; L21-I25 WeakPolarHBondContact O-CG1 3.29Å; L21-I25 PolarHBondContact O-N 3.36Å; L21-I25 VanDerWaalsContact O-N 3.07Å
22	V	49	Very low	54.5	Low	81 Å²	81	113.1 Å²	113.1	49%	0.491	58%	0.577	S	S	.	*	H	α-helix	trans	-58.5	-29.6	-176.2	178.4	0	0	0	0	111.8	H19	H19-V22 HydrophobicContact CB-CG2 4.06Å; H19-V22 PolarHBondContact O-N 3.17Å
23	G	45.6	Very low	52.3	Low	62 Å²	62	115.3 Å²	115.3	64%	0.639	61%	0.605	S	S	*	*	H	α-helix	trans	-82.2	-17.9	177	0	0	0	0	0	116.4	L21	L21-G23 PolarHBondContact O-N 3.46Å; L21-G23 VanDerWaalsContact O-N 3.07Å
24	H	45.6	Very low	50.1	Low	148 Å²	148	113.7 Å²	113.7	69%	0.685	61%	0.605	S	S	*	*	H	α-helix	trans	-103.3	-27.5	-178.1	-83.3	83.6	0	0	0	113.1	L21 Q26	L21-H24 HydrophobicContact CD2-CB 4.2Å; L21-H24 PolarHBondContact O-N 3.14Å; H24-Q26 VanDerWaalsContact C-N 3.32Å; H24-Q26 PolarHBondContact O-N 3.5Å
25	I	47.1	Very low	48.3	Very low	74 Å²	74	111.3 Å²	111.3	38%	0.379	60%	0.6	S	S	.	*	H	α-helix	trans	-69.5	-30.1	178.3	-65.8	172	0	0	0	111.4	T16 L21 K27 C29	T16-I25 HydrophobicContact CG2-CD1 4.27Å; L21-I25 HydrophobicContact CB-CD1 3.75Å; L21-I25 HydrophobicContact CB-CG1 4.11Å; L21-I25 HydrophobicContact CD2-CD1 4.2Å; L21-I25 HydrophobicContact CD2-CG1 3.84Å; L21-I25 WeakPolarHBondContact O-CG1 3.29Å; L21-I25 PolarHBondContact O-N 3.36Å; L21-I25 VanDerWaalsContact O-N 3.07Å; I25-K27 VanDerWaalsContact C-N 3.26Å; I25-K27 PolarHBondContact O-N 3.21Å; I25-K27 VanDerWaalsContact O-N 3.14Å; I25-C29 PolarHBondContact O-SG 2.86Å
26	Q	41.8	Very low	47.2	Very low	165 Å²	165	113.6 Å²	113.6	77%	0.771	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.5	-13	-173.5	-112.7	179.2	-2.1	0	0	115.7	H24	H24-Q26 VanDerWaalsContact C-N 3.32Å; H24-Q26 PolarHBondContact O-N 3.5Å
27	K	43.5	Very low	46.4	Very low	200 Å²	200	115.5 Å²	115.5	87%	0.87	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.1	-3.9	-176.9	-85.5	-176.3	177.2	177.3	0	115.6	I25	I25-K27 VanDerWaalsContact C-N 3.26Å; I25-K27 PolarHBondContact O-N 3.21Å; I25-K27 VanDerWaalsContact O-N 3.14Å
28	T	41.3	Very low	46.2	Very low	117 Å²	117	109 Å²	109	72%	0.718	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.7	-0.8	-179.5	52.2	0	0	0	0	114.3	N30	T28-N30 PolarHBondContact O-N 3.4Å
29	C	32.8	Very low	46.4	Very low	55 Å²	55	111 Å²	111	37%	0.372	60%	0.599	S	S	.	*			trans	-96	80.3	-176.5	-58.1	0	0	0	0	111.4	I25	I25-C29 PolarHBondContact O-SG 2.86Å
30	N	33.7	Very low	47.5	Very low	155 Å²	155	106.9 Å²	106.9	83%	0.829	59%	0.585	S	S	*	*			trans	-149.7	70.3	163.4	-94.7	-19.3	0	0	0	108.9	T28	T28-N30 PolarHBondContact O-N 3.4Å
31	R	37.6	Very low	49.2	Very low	228 Å²	228	106 Å²	106	86%	0.86	57%	0.573	S	S	*	*	S	Bend	trans	-175	127.7	157.5	-101.4	160.6	-165	-161.8	4.4	107.8	G33 S34	R31-G33 PolarHBondContact O-N 3.42Å; R31-S34 PolarHBondContact O-N 3.35Å
32	D	34.2	Very low	51.1	Low	179 Å²	179	107.2 Å²	107.2	96%	0.957	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-45.9	119.1	177.2	-66.8	-43.5	0	0	0	111
33	G	34.5	Very low	53.2	Low	65 Å²	65	103.5 Å²	103.5	67%	0.67	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	107.9	16.4	-179.8	0	0	0	0	0	116.9	R31 N35	R31-G33 PolarHBondContact O-N 3.42Å; G33-N35 PolarHBondContact O-N 2.9Å; G33-N35 PolarHBondContact O-ND2 3.39Å
34	S	36.9	Very low	55.6	Low	75 Å²	75	103.2 Å²	103.2	52%	0.524	55%	0.545	S	S	.	.			trans	-66	84.7	-174	59.3	0	0	0	0	113.7	R31 I36	R31-S34 PolarHBondContact O-N 3.35Å; S34-I36 PolarHBondContact O-N 3.07Å
35	N	46.6	Very low	57.9	Low	94 Å²	94	96.2 Å²	96.2	50%	0.503	51%	0.513	S	S	.	.			trans	-74.6	113	172.7	-75.4	-51	0	0	0	111.3	G33 L37	G33-N35 PolarHBondContact O-N 2.9Å; G33-N35 PolarHBondContact O-ND2 3.39Å; N35-L37 PolarHBondContact O-N 3.39Å
36	I	52.1	Low	60.1	Low	101 Å²	101	95.6 Å²	95.6	52%	0.518	51%	0.51	S	S	.	.			trans	8.3	85.1	143.4	-26.1	175.2	0	0	0	117.3	Q12 S34	Q12-I36 HydrophobicContact CB-CG2 4.19Å; Q12-I36 HydrophobicContact CG-CG2 3.93Å; S34-I36 PolarHBondContact O-N 3.07Å
37	L	55	Low	62.7	Low	114 Å²	114	91 Å²	91	60%	0.597	50%	0.496	S	S	*	.			trans	-88.4	134.3	160.1	-87	105.1	0	0	0	109.9	N35	N35-L37 PolarHBondContact O-N 3.39Å
38	F	65.5	Low	65.1	Low	10 Å²	10	85.1 Å²	85.1	4%	0.044	47%	0.472	C	S	.	.			trans	-61.5	133.2	152.9	-89.3	-81.8	0	0	0	107.8	I8 K11 Q12 L15 T40 L43 A62 H65	I8-F38 HydrophobicContact CB-CE2 4.37Å; I8-F38 HydrophobicContact CG2-CD2 3.98Å; I8-F38 HydrophobicContact CG2-CE2 3.55Å; K11-F38 HydrophobicContact CB-CZ 4.03Å; K11-F38 HydrophobicContact CD-CE1 4.36Å; K11-F38 HydrophobicContact CD-CZ 4.13Å; K11-F38 HydrophobicContact CG-CE1 4.35Å; K11-F38 HydrophobicContact CG-CZ 3.96Å; Q12-F38 HydrophobicContact CB-CZ 4.48Å; Q12-F38 HydrophobicContact CG-CD2 3.95Å; Q12-F38 HydrophobicContact CG-CE1 4.28Å; Q12-F38 HydrophobicContact CG-CE2 3.19Å; Q12-F38 HydrophobicContact CG-CZ 3.39Å; Q12-F38 VanDerWaalsContact NE2-CE2 3.27Å; L15-F38 HydrophobicContact CD1-CE1 3.61Å; L15-F38 HydrophobicContact CD1-CZ 4.3Å; F38-T40 VanDerWaalsContact C-N 3.27Å; F38-T40 PolarHBondContact O-N 2.95Å; F38-L43 HydrophobicContact CD1-CD1 4.16Å; F38-L43 HydrophobicContact CD2-CD1 4.16Å; F38-L43 HydrophobicContact CE1-CD1 4.21Å; F38-L43 HydrophobicContact CE2-CD1 4.2Å; F38-L43 HydrophobicContact CG-CD1 4.14Å; F38-L43 HydrophobicContact CZ-CD1 4.24Å; F38-A62 PolarHBondContact N-O 2.82Å; F38-H65 PolarHBondContact O-CD2 3.32Å; F38-H65 PolarHBondContact O-CE1 2.82Å; F38-H65 PolarHBondContact O-NE2 2.73Å
39	P	64.5	Low	67.6	Low	96 Å²	96	83.5 Å²	83.5	62%	0.623	46%	0.459	S	S	*	.			trans	-85.8	1.1	-179.6	30.1	-32.6	0	0	0	113.3
40	T	80.8	Confident	70.7	Confident	63 Å²	63	80.9 Å²	80.9	39%	0.387	44%	0.441	S	S	.	.			trans	-100.9	138.4	-167.4	57.4	0	0	0	0	112.5	F38 T42 H65	F38-T40 VanDerWaalsContact C-N 3.27Å; F38-T40 PolarHBondContact O-N 2.95Å; T40-T42 VanDerWaalsContact CB-O 3.29Å; T40-T42 WeakPolarHBondContact CB-O 3.32Å; T40-T42 PolarHBondContact O-N 3.46Å; T40-T42 PolarHBondContact OG1-O 2.92Å; T40-H65 PolarHBondContact O-CD2 3.38Å; T40-H65 PolarHBondContact O-NE2 2.94Å
41	R	92	Very high	73.6	Confident	109 Å²	109	76.9 Å²	76.9	41%	0.411	42%	0.416	S	S	.	.	S	Bend	trans	-61.3	-30.3	171.1	-177.6	171.4	174.1	-80.4	1.2	112	R67 E68 E93	R41-R67 HydrophobicContact CG-CB 3.59Å; R41-R67 HydrophobicContact CG-CG 3.61Å; R41-R67 PolarHBondContact O-N 2.6Å; R41-E68 IonicContact CZ-OE1 3.8Å; R41-E68 VanDerWaalsContact NH1-CD 3.26Å; R41-E68 IonicContact NH1-OE1 3.75Å; R41-E68 PolarHBondContact NH1-OE1 3.18Å; R41-E68 IonicContact NH2-OE1 2.6Å; R41-E68 PolarHBondContact O-N 3Å; R41-E68 VanDerWaalsContact O-N 3.09Å; R41-E93 IonicContact CZ-OE2 2.73Å; R41-E93 IonicContact NE-OE1 3.78Å; R41-E93 IonicContact NH2-OE1 3.84Å; R41-E93 PolarHBondContact NH2-OE1 3.09Å; R41-E93 IonicContact NH2-OE2 2.89Å; R41-E93 PolarHBondContact NH2-OE2 3.06Å
42	T	93.3	Very high	76.4	Confident	60 Å²	60	68 Å²	68	37%	0.368	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	133.6	179.9	-50.4	0	0	0	0	109.7	T40 E68	T40-T42 VanDerWaalsContact CB-O 3.29Å; T40-T42 WeakPolarHBondContact CB-O 3.32Å; T40-T42 PolarHBondContact O-N 3.46Å; T40-T42 PolarHBondContact OG1-O 2.92Å; T42-E68 CarbonylContact C-O 3.56Å; T42-E68 WeakPolarHBondContact CA-O 3.46Å; T42-E68 HydrophobicContact CG2-CB 3.89Å; T42-E68 PolarHBondContact OG1-OE2 3.06Å
43	L	93.8	Very high	79.3	Confident	4 Å²	4	59.5 Å²	59.5	2%	0.021	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	110	177.8	178.7	62.4	0	0	0	109.6	I8 F38 M45 A63 V66 E68 L69 D70	I8-L43 HydrophobicContact CD1-CD2 3.88Å; I8-L43 HydrophobicContact CG1-CD2 4.09Å; F38-L43 HydrophobicContact CD1-CD1 4.16Å; F38-L43 HydrophobicContact CD2-CD1 4.16Å; F38-L43 HydrophobicContact CE1-CD1 4.21Å; F38-L43 HydrophobicContact CE2-CD1 4.2Å; F38-L43 HydrophobicContact CG-CD1 4.14Å; F38-L43 HydrophobicContact CZ-CD1 4.24Å; L43-M45 HydrophobicContact CD1-CG 4.19Å; L43-M45 HydrophobicContact CD1-SD 3.89Å; L43-M45 HydrophobicContact CD2-CG 4.23Å; L43-M45 HydrophobicContact CG-CG 3.84Å; L43-M45 HydrophobicContact CG-SD 4.22Å; L43-A63 HydrophobicContact CD2-CB 4.18Å; L43-V66 HydrophobicContact CB-CG1 3.87Å; L43-V66 HydrophobicContact CB-CG2 3.81Å; L43-V66 HydrophobicContact CD2-CG2 4.06Å; L43-E68 PolarHBondContact N-O 2.81Å; L43-L69 HydrophobicContact CB-CD1 4.31Å; L43-L69 HydrophobicContact CD2-CD1 4.17Å; L43-L69 HydrophobicContact CG-CD1 4.24Å; L43-L69 WeakPolarHBondContact O-CA 2.91Å; L43-D70 PolarHBondContact O-N 3.01Å
44	T	94.3	Very high	82.1	Confident	56 Å²	56	57.9 Å²	57.9	34%	0.344	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	118.4	178.2	-54.9	0	0	0	0	110.8	K11 D46 D70	K11-T44 PolarHBondContact NZ-O 2.96Å; T44-D46 WeakPolarHBondContact CG2-OD1 3.44Å; T44-D70 HydrophobicContact CG2-CB 4.21Å
45	M	94.6	Very high	84.9	Confident	1 Å²	1	57.1 Å²	57.1	1%	0.005	32%	0.321	C	S	.	.			trans	-131.8	35.1	-177.7	-61.5	-56.7	-59.4	0	0	110.3	L4 A7 I8 K11 L43 Q48 I50 D70 L71 N74	L4-M45 HydrophobicContact CD1-CB 4.15Å; L4-M45 HydrophobicContact CD1-CG 3.95Å; A7-M45 HydrophobicContact CB-CE 3.36Å; A7-M45 WeakPolarHBondContact O-CE 3.11Å; I8-M45 HydrophobicContact CG1-CE 4.01Å; I8-M45 HydrophobicContact CG1-CG 4.39Å; I8-M45 HydrophobicContact CG1-SD 4.13Å; K11-M45 HydrophobicContact CD-SD 3.63Å; L43-M45 HydrophobicContact CD1-CG 4.19Å; L43-M45 HydrophobicContact CD1-SD 3.89Å; L43-M45 HydrophobicContact CD2-CG 4.23Å; L43-M45 HydrophobicContact CG-CG 3.84Å; L43-M45 HydrophobicContact CG-SD 4.22Å; M45-Q48 HydrophobicContact CE-CG 4.24Å; M45-I50 HydrophobicContact CB-CD1 4.06Å; M45-D70 CarbonylContact C-O 3.41Å; M45-D70 WeakPolarHBondContact CA-O 3.41Å; M45-D70 PolarHBondContact N-O 2.7Å; M45-L71 HydrophobicContact CB-CD2 3.9Å; M45-N74 PolarHBondContact O-ND2 3.21Å
46	D	94	Very high	87.2	Confident	60 Å²	60	57.3 Å²	57.3	32%	0.321	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	151.5	179.2	72.3	-68	0	0	0	111.5	T44 Q48 A72	T44-D46 WeakPolarHBondContact CG2-OD1 3.44Å; D46-Q48 VanDerWaalsContact C-N 3.3Å; D46-Q48 WeakPolarHBondContact O-CG 3.38Å; D46-Q48 PolarHBondContact O-N 2.52Å; D46-Q48 PolarHBondContact O-NE2 3.02Å; D46-A72 CarbonylContact C-O 3.35Å; D46-A72 WeakPolarHBondContact CA-O 3.49Å; D46-A72 HydrophobicContact CB-CB 4.29Å; D46-A72 VanDerWaalsContact CB-O 3.31Å; D46-A72 WeakPolarHBondContact CB-O 3.37Å
47	S	94.9	Very high	89.2	Confident	69 Å²	69	57.3 Å²	57.3	48%	0.483	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.6	37.6	172.3	-46	0	0	0	0	114.1	A72 C73	S47-A72 PolarHBondContact N-O 3.2Å; S47-C73 WeakPolarHBondContact CA-O 3.46Å; S47-C73 WeakPolarHBondContact OG-CB 3.26Å
48	Q	94.2	Very high	91	Very high	77 Å²	77	56.1 Å²	56.1	36%	0.36	31%	0.31	S	S	.	.	S	Bend	trans	-109.5	12.8	-176.9	-60.2	-53.4	-60.9	0	0	113.8	A7 M45 D46 I50 N74	A7-Q48 HydrophobicContact CB-CB 4.12Å; A7-Q48 HydrophobicContact CB-CG 4.48Å; M45-Q48 HydrophobicContact CE-CG 4.24Å; D46-Q48 VanDerWaalsContact C-N 3.3Å; D46-Q48 WeakPolarHBondContact O-CG 3.38Å; D46-Q48 PolarHBondContact O-N 2.52Å; D46-Q48 PolarHBondContact O-NE2 3.02Å; Q48-I50 HydrophobicContact CB-CD1 3.82Å; Q48-I50 HydrophobicContact CB-CG1 3.84Å; Q48-I50 HydrophobicContact CG-CD1 4.46Å; Q48-I50 PolarHBondContact O-N 3.32Å; Q48-N74 PolarHBondContact N-OD1 3.45Å
49	D	94.9	Very high	92.4	Very high	82 Å²	82	55.7 Å²	55.7	44%	0.439	31%	0.308	S	S	.	.			trans	55	30.3	-175.5	-69	-51.7	0	0	0	114.3	K51 N74 R75	D49-K51 PolarHBondContact O-N 3.22Å; D49-N74 PolarHBondContact N-OD1 3.35Å; D49-R75 IonicContact OD1-CZ 3.9Å; D49-R75 IonicContact OD1-NE 3.74Å; D49-R75 PolarHBondContact OD1-NE 3.47Å; D49-R75 IonicContact OD1-NH2 3.3Å; D49-R75 PolarHBondContact OD1-NH2 3.06Å; D49-R75 IonicContact OD2-NH2 2.92Å
50	I	96.6	Very high	93.7	Very high	1 Å²	1	53 Å²	53	1%	0.005	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	127	-178.7	-63.6	162.1	0	0	0	109.7	A2 L4 A7 M45 Q48 S52 L71 N74 R75 L76	A2-I50 WeakPolarHBondContact O-CA 3.49Å; L4-I50 HydrophobicContact CB-CG2 4.06Å; L4-I50 HydrophobicContact CD1-CD1 3.89Å; A7-I50 HydrophobicContact CB-CD1 3.85Å; A7-I50 HydrophobicContact CB-CG1 3.91Å; M45-I50 HydrophobicContact CB-CD1 4.06Å; Q48-I50 HydrophobicContact CB-CD1 3.82Å; Q48-I50 HydrophobicContact CB-CG1 3.84Å; Q48-I50 HydrophobicContact CG-CD1 4.46Å; Q48-I50 PolarHBondContact O-N 3.32Å; I50-S52 WeakPolarHBondContact CG2-O 3.32Å; I50-L71 HydrophobicContact CD1-CD2 3.96Å; I50-N74 HydrophobicContact CB-CB 4.13Å; I50-N74 WeakPolarHBondContact CB-OD1 3.42Å; I50-N74 PolarHBondContact N-OD1 3.07Å; I50-R75 CarbonylContact O-C 3.53Å; I50-R75 VanDerWaalsContact O-C 3.3Å; I50-R75 WeakPolarHBondContact O-CA 3.41Å; I50-R75 PolarHBondContact O-N 3.12Å; I50-L76 HydrophobicContact CG2-CD2 4.31Å; I50-L76 PolarHBondContact O-N 3.03Å
51	K	94.9	Very high	94.2	Very high	70 Å²	70	55.3 Å²	55.3	30%	0.304	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	-17.7	178.7	-71.5	177.6	-179.2	-167.2	0	114.2	M1 A2 D49 R75	M1-K51 HydrophobicContact CB-CD 4.04Å; M1-K51 HydrophobicContact CG-CD 3.72Å; M1-K51 HydrophobicContact SD-CD 3.24Å; M1-K51 WeakPolarHBondContact SD-CD 3.48Å; M1-K51 PolarHBondContact SD-NZ 3.44Å; A2-K51 PolarHBondContact O-N 2.92Å; A2-K51 VanDerWaalsContact O-N 3.12Å; D49-K51 PolarHBondContact O-N 3.22Å; K51-R75 HydrophobicContact CD-CB 4.4Å; K51-R75 HydrophobicContact CG-CB 3.53Å
52	S	96	Very high	94.1	Very high	42 Å²	42	50.6 Å²	50.6	29%	0.294	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	166.5	179.5	60.1	0	0	0	0	110.6	T3 L4 I50 E81	T3-S52 CarbonylContact C-O 3.58Å; T3-S52 WeakPolarHBondContact CA-O 3.4Å; L4-S52 PolarHBondContact N-O 3.41Å; I50-S52 WeakPolarHBondContact CG2-O 3.32Å; S52-E81 WeakPolarHBondContact CA-OE2 3.32Å; S52-E81 WeakPolarHBondContact CB-OE2 3.21Å
53	I	95	Very high	93.9	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.005	26%	0.26	C	S	.	.			trans	-75.1	-44.3	-174.3	-54.9	-61.9	0	0	0	112.3	L4 V5 L59 E81 K84 I85 W88	L4-I53 WeakPolarHBondContact CB-O 3.38Å; L4-I53 HydrophobicContact CD2-CD1 4.23Å; L4-I53 HydrophobicContact CD2-CG2 4.49Å; L4-I53 PolarHBondContact N-O 3.01Å; V5-I53 WeakPolarHBondContact CG2-O 3.39Å; V5-I53 PolarHBondContact N-O 3.48Å; V5-I53 VanDerWaalsContact N-O 3.08Å; I53-L59 HydrophobicContact CG2-CD2 3.64Å; I53-E81 HydrophobicContact CG1-CB 4.19Å; I53-E81 VanDerWaalsContact CG1-OE2 3.32Å; I53-E81 WeakPolarHBondContact CG1-OE2 3.32Å; I53-E81 PolarHBondContact N-OE2 2.8Å; I53-K84 HydrophobicContact CG1-CB 4.27Å; I53-I85 HydrophobicContact CD1-CD1 3.53Å; I53-I85 HydrophobicContact CD1-CG1 3.13Å; I53-I85 HydrophobicContact CG1-CG1 4.14Å; I53-W88 HydrophobicContact CB-CZ3 4.03Å; I53-W88 HydrophobicContact CG2-CE3 3.85Å; I53-W88 HydrophobicContact CG2-CZ3 3.46Å; I53-W88 VanDerWaalsContact CG2-CZ3 3.46Å
54	G	94.5	Very high	93.8	Very high	31 Å²	31	53.3 Å²	53.3	32%	0.32	29%	0.286	S	S	.	.			trans	92.5	-154.6	-169.9	0	0	0	0	0	112.8
55	C	94.6	Very high	93.7	Very high	59 Å²	59	52.7 Å²	52.7	40%	0.399	28%	0.279	S	S	.	.			trans	-73	128	-173.3	-177.3	0	0	0	0	112.5	D57 E58 L59	C55-D57 PolarHBondContact O-N 3.25Å; C55-E58 HydrophobicContact CB-CB 4.1Å; C55-E58 HydrophobicContact CB-CG 4.03Å; C55-E58 PolarHBondContact O-N 3.07Å; C55-L59 PolarHBondContact O-N 2.91Å
56	K	95.6	Very high	93.6	Very high	98 Å²	98	52.7 Å²	52.7	43%	0.426	28%	0.279	S	S	.	.	H	α-helix	trans	-55.9	-49.7	179.2	178.4	-179.7	179.1	-176.8	0	112.6	E58 L59 L60 W88	K56-E58 VanDerWaalsContact C-N 3.3Å; K56-E58 PolarHBondContact O-N 3.21Å; K56-L59 PolarHBondContact O-N 2.83Å; K56-L60 HydrophobicContact CG-CD1 3.97Å; K56-L60 HydrophobicContact CG-CG 4.43Å; K56-L60 WeakPolarHBondContact O-CG 3.18Å; K56-L60 PolarHBondContact O-N 3.43Å; K56-W88 HydrophobicContact CB-CD2 4.01Å; K56-W88 HydrophobicContact CB-CE3 3.95Å; K56-W88 HydrophobicContact CB-CH2 3.92Å; K56-W88 HydrophobicContact CB-CZ2 3.98Å; K56-W88 HydrophobicContact CB-CZ3 3.9Å; K56-W88 HydrophobicContact CD-CD2 4.13Å; K56-W88 HydrophobicContact CD-CG 4.19Å; K56-W88 HydrophobicContact CD-CZ2 4.39Å; K56-W88 HydrophobicContact CG-CD2 3.68Å; K56-W88 HydrophobicContact CG-CE3 4.03Å; K56-W88 HydrophobicContact CG-CG 3.93Å; K56-W88 HydrophobicContact CG-CZ2 4.33Å; K56-W88 HydrophobicContact CG-CZ3 4.47Å
57	D	94.8	Very high	93.7	Very high	101 Å²	101	52.2 Å²	52.2	54%	0.54	27%	0.273	S	S	.	.	H	α-helix	trans	-67.9	-33.2	-173.9	-65.8	-29.5	0	0	0	111.9	C55 K61	C55-D57 PolarHBondContact O-N 3.25Å; D57-K61 WeakPolarHBondContact O-CB 3.12Å; D57-K61 WeakPolarHBondContact O-CD 3.31Å; D57-K61 WeakPolarHBondContact O-CG 3.28Å; D57-K61 PolarHBondContact O-N 2.96Å
58	E	92.8	Very high	93.8	Very high	89 Å²	89	51.2 Å²	51.2	42%	0.416	26%	0.261	S	S	.	.	H	α-helix	trans	-72.9	-40.1	176.1	-65.1	-179.1	170.5	0	0	111.4	V5 C55 K56 K61 A62	V5-E58 HydrophobicContact CG1-CB 3.71Å; V5-E58 WeakPolarHBondContact CG1-OE2 3.35Å; V5-E58 HydrophobicContact CG2-CB 4.32Å; C55-E58 HydrophobicContact CB-CB 4.1Å; C55-E58 HydrophobicContact CB-CG 4.03Å; C55-E58 PolarHBondContact O-N 3.07Å; K56-E58 VanDerWaalsContact C-N 3.3Å; K56-E58 PolarHBondContact O-N 3.21Å; E58-K61 PolarHBondContact O-N 3.28Å; E58-A62 WeakPolarHBondContact O-CB 3.43Å; E58-A62 PolarHBondContact O-N 2.67Å
59	L	93.6	Very high	94	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-61.1	-47.5	173.3	-175.5	71.7	0	0	0	111.3	L4 V5 I8 I53 C55 K56 K61 A62 A63 W88 L89	L4-L59 HydrophobicContact CD2-CD1 3.74Å; L4-L59 HydrophobicContact CG-CD1 4Å; V5-L59 HydrophobicContact CG2-CB 3.89Å; V5-L59 HydrophobicContact CG2-CD1 4.38Å; I8-L59 HydrophobicContact CD1-CD1 3.71Å; I53-L59 HydrophobicContact CG2-CD2 3.64Å; C55-L59 PolarHBondContact O-N 2.91Å; K56-L59 PolarHBondContact O-N 2.83Å; L59-K61 PolarHBondContact O-N 3.39Å; L59-A62 PolarHBondContact O-N 3.3Å; L59-A63 HydrophobicContact CD1-CB 4.25Å; L59-A63 WeakPolarHBondContact O-CB 3.4Å; L59-A63 PolarHBondContact O-N 3.29Å; L59-W88 HydrophobicContact CD2-CE3 3.84Å; L59-L89 HydrophobicContact CD2-CD2 4.34Å; L59-L89 HydrophobicContact CD2-CG 4.41Å; L59-L89 HydrophobicContact CG-CD2 4.45Å
60	L	93.4	Very high	94.1	Very high	41 Å²	41	45.3 Å²	45.3	22%	0.215	23%	0.232	C	C	.	.	H	α-helix	trans	-60.6	-46.4	179.2	-72.9	174.8	0	0	0	111.2	K56 A62 A63 E64 W88	K56-L60 HydrophobicContact CG-CD1 3.97Å; K56-L60 HydrophobicContact CG-CG 4.43Å; K56-L60 WeakPolarHBondContact O-CG 3.18Å; K56-L60 PolarHBondContact O-N 3.43Å; L60-A62 PolarHBondContact O-N 2.83Å; L60-A63 PolarHBondContact O-N 3.43Å; L60-E64 HydrophobicContact CD2-CB 4.41Å; L60-E64 WeakPolarHBondContact O-CB 3.47Å; L60-E64 PolarHBondContact O-N 3.46Å; L60-W88 HydrophobicContact CD2-CB 4.44Å; L60-W88 WeakPolarHBondContact CD2-O 3.35Å
61	K	90.4	Very high	94.2	Very high	111 Å²	111	45.3 Å²	45.3	48%	0.483	23%	0.232	S	C	.	.	H	α-helix	trans	-56.5	-39.3	175.5	-75.7	168.8	-173.6	173.6	0	112.6	D57 E58 L59	D57-K61 WeakPolarHBondContact O-CB 3.12Å; D57-K61 WeakPolarHBondContact O-CD 3.31Å; D57-K61 WeakPolarHBondContact O-CG 3.28Å; D57-K61 PolarHBondContact O-N 2.96Å; E58-K61 PolarHBondContact O-N 3.28Å; L59-K61 PolarHBondContact O-N 3.39Å
62	A	88.9	Confident	94.3	Very high	10 Å²	10	42.4 Å²	42.4	8%	0.083	22%	0.221	C	C	.	.	H	α-helix	trans	-87.2	-29.1	-174.8	0	0	0	0	0	114.4	I8 F38 E58 L59 L60 H65	I8-A62 HydrophobicContact CG2-CB 3.63Å; F38-A62 PolarHBondContact N-O 2.82Å; E58-A62 WeakPolarHBondContact O-CB 3.43Å; E58-A62 PolarHBondContact O-N 2.67Å; L59-A62 PolarHBondContact O-N 3.3Å; L60-A62 PolarHBondContact O-N 2.83Å; A62-H65 PolarHBondContact O-CE1 3.42Å
63	A	90.7	Very high	94.3	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.008	22%	0.22	C	C	.	.	H	α-helix	trans	-140.8	8.9	-163.2	0	0	0	0	0	116.2	I8 L43 L59 L60 H65 V66 L89	I8-A63 HydrophobicContact CD1-CB 4.4Å; L43-A63 HydrophobicContact CD2-CB 4.18Å; L59-A63 HydrophobicContact CD1-CB 4.25Å; L59-A63 WeakPolarHBondContact O-CB 3.4Å; L59-A63 PolarHBondContact O-N 3.29Å; L60-A63 PolarHBondContact O-N 3.43Å; A63-H65 PolarHBondContact O-N 3.2Å; A63-H65 VanDerWaalsContact O-N 3.14Å; A63-V66 HydrophobicContact CB-CG2 3.83Å; A63-V66 VanDerWaalsContact O-CB 3.26Å; A63-V66 WeakPolarHBondContact O-CB 3.33Å; A63-V66 WeakPolarHBondContact O-CG2 3.41Å; A63-V66 PolarHBondContact O-N 3.01Å; A63-L89 HydrophobicContact CB-CD2 4.47Å
64	E	91.8	Very high	94.4	Very high	119 Å²	119	42.7 Å²	42.7	56%	0.556	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-29.3	179.2	178.4	-175.8	176.2	0	0	114	L60 V66 R67	L60-E64 HydrophobicContact CD2-CB 4.41Å; L60-E64 WeakPolarHBondContact O-CB 3.47Å; L60-E64 PolarHBondContact O-N 3.46Å; E64-V66 VanDerWaalsContact C-N 3.35Å; E64-R67 PolarHBondContact O-NH1 3.35Å
65	H	90.6	Very high	94.5	Very high	43 Å²	43	46.8 Å²	46.8	20%	0.199	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-8.1	178.7	65.9	-72	0	0	0	113.6	F38 T40 A62 A63 R67	F38-H65 PolarHBondContact O-CD2 3.32Å; F38-H65 PolarHBondContact O-CE1 2.82Å; F38-H65 PolarHBondContact O-NE2 2.73Å; T40-H65 PolarHBondContact O-CD2 3.38Å; T40-H65 PolarHBondContact O-NE2 2.94Å; A62-H65 PolarHBondContact O-CE1 3.42Å; A63-H65 PolarHBondContact O-N 3.2Å; A63-H65 VanDerWaalsContact O-N 3.14Å; H65-R67 PolarHBondContact O-NH1 2.78Å
66	V	93.5	Very high	94.5	Very high	1 Å²	1	44 Å²	44	1%	0.006	21%	0.209	C	C	.	.			trans	-64.5	140.7	179	176.3	0	0	0	0	109.6	L43 A63 E64 E68 L69 L92	L43-V66 HydrophobicContact CB-CG1 3.87Å; L43-V66 HydrophobicContact CB-CG2 3.81Å; L43-V66 HydrophobicContact CD2-CG2 4.06Å; A63-V66 HydrophobicContact CB-CG2 3.83Å; A63-V66 VanDerWaalsContact O-CB 3.26Å; A63-V66 WeakPolarHBondContact O-CB 3.33Å; A63-V66 WeakPolarHBondContact O-CG2 3.41Å; A63-V66 PolarHBondContact O-N 3.01Å; E64-V66 VanDerWaalsContact C-N 3.35Å; V66-E68 VanDerWaalsContact CG1-O 3.26Å; V66-E68 WeakPolarHBondContact CG1-O 3.2Å; V66-L69 HydrophobicContact CG1-CB 4.3Å; V66-L92 HydrophobicContact CG1-CD1 4.24Å
67	R	96.1	Very high	94.5	Very high	50 Å²	50	41.8 Å²	41.8	19%	0.189	21%	0.206	C	C	.	.	S	Bend	trans	-120.8	-24.2	174.9	-55.7	-65.1	176.5	-98.2	-5.9	111.8	R41 E64 H65 K91 L92 E93 S94	R41-R67 HydrophobicContact CG-CB 3.59Å; R41-R67 HydrophobicContact CG-CG 3.61Å; R41-R67 PolarHBondContact O-N 2.6Å; E64-R67 PolarHBondContact O-NH1 3.35Å; H65-R67 PolarHBondContact O-NH1 2.78Å; R67-K91 WeakPolarHBondContact CD-O 3.42Å; R67-K91 VanDerWaalsContact CZ-CB 3.42Å; R67-K91 VanDerWaalsContact NH1-CB 3.26Å; R67-K91 VanDerWaalsContact NH2-CD 3.28Å; R67-L92 WeakPolarHBondContact O-CD1 3.46Å; R67-E93 HydrophobicContact CB-CB 4.38Å; R67-E93 HydrophobicContact CB-CG 4.17Å; R67-E93 WeakPolarHBondContact CD-OE1 3.48Å; R67-E93 WeakPolarHBondContact CG-OE1 3.46Å; R67-E93 WeakPolarHBondContact O-CA 3.2Å; R67-E93 PolarHBondContact O-N 3.22Å; R67-S94 PolarHBondContact O-N 3.33Å
68	E	97.7	Very high	94.4	Very high	49 Å²	49	38.6 Å²	38.6	23%	0.229	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	118.7	177.3	-57.2	177.3	177.4	0	0	108.3	R41 T42 L43 V66 S94	R41-E68 IonicContact CZ-OE1 3.8Å; R41-E68 VanDerWaalsContact NH1-CD 3.26Å; R41-E68 IonicContact NH1-OE1 3.75Å; R41-E68 PolarHBondContact NH1-OE1 3.18Å; R41-E68 IonicContact NH2-OE1 2.6Å; R41-E68 PolarHBondContact O-N 3Å; R41-E68 VanDerWaalsContact O-N 3.09Å; T42-E68 CarbonylContact C-O 3.56Å; T42-E68 WeakPolarHBondContact CA-O 3.46Å; T42-E68 HydrophobicContact CG2-CB 3.89Å; T42-E68 PolarHBondContact OG1-OE2 3.06Å; L43-E68 PolarHBondContact N-O 2.81Å; V66-E68 VanDerWaalsContact CG1-O 3.26Å; V66-E68 WeakPolarHBondContact CG1-O 3.2Å; E68-S94 WeakPolarHBondContact CA-O 3.44Å
69	L	97.2	Very high	94.5	Very high	3 Å²	3	34.7 Å²	34.7	2%	0.016	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	117.6	-177.8	178	58.3	0	0	0	109.4	L4 L43 V66 L71 I85 L89 L92 S94 L95 N96	L4-L69 HydrophobicContact CD2-CD2 4.43Å; L43-L69 HydrophobicContact CB-CD1 4.31Å; L43-L69 HydrophobicContact CD2-CD1 4.17Å; L43-L69 HydrophobicContact CG-CD1 4.24Å; L43-L69 WeakPolarHBondContact O-CA 2.91Å; V66-L69 HydrophobicContact CG1-CB 4.3Å; L69-L71 HydrophobicContact CD1-CD2 4.3Å; L69-L71 HydrophobicContact CD1-CG 4.18Å; L69-L71 HydrophobicContact CD2-CD1 3.81Å; L69-L71 HydrophobicContact CD2-CG 4.23Å; L69-L71 HydrophobicContact CG-CD1 4.02Å; L69-L71 HydrophobicContact CG-CG 3.92Å; L69-I85 HydrophobicContact CD2-CG2 3.85Å; L69-L89 HydrophobicContact CD2-CD1 3.9Å; L69-L92 HydrophobicContact CB-CD1 3.69Å; L69-L92 HydrophobicContact CB-CD2 4.37Å; L69-S94 PolarHBondContact N-O 2.86Å; L69-L95 HydrophobicContact CB-CD1 4.28Å; L69-L95 HydrophobicContact CD2-CD1 4.25Å; L69-L95 HydrophobicContact CG-CD1 4.27Å; L69-L95 WeakPolarHBondContact O-CA 3.5Å; L69-N96 PolarHBondContact O-N 3.03Å
70	D	97.5	Very high	94.5	Very high	32 Å²	32	37.5 Å²	37.5	17%	0.171	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	116.1	173.9	-163.6	-16.9	0	0	0	110.4	L43 T44 M45 A72 N96	L43-D70 PolarHBondContact O-N 3.01Å; T44-D70 HydrophobicContact CG2-CB 4.21Å; M45-D70 CarbonylContact C-O 3.41Å; M45-D70 WeakPolarHBondContact CA-O 3.41Å; M45-D70 PolarHBondContact N-O 2.7Å; D70-A72 VanDerWaalsContact OD1-CB 3.24Å; D70-A72 WeakPolarHBondContact OD1-CB 3.36Å; D70-A72 PolarHBondContact OD1-N 3.43Å; D70-N96 HydrophobicContact CB-CB 4.4Å; D70-N96 WeakPolarHBondContact OD1-CB 3.44Å; D70-N96 PolarHBondContact OD1-ND2 2.79Å; D70-N96 PolarHBondContact OD2-ND2 3.04Å
71	L	97.8	Very high	94.6	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	18%	0.182	C	C	.	.			trans	-120.2	22.4	176.5	-67.1	168.5	0	0	0	111.1	L4 M45 I50 L69 N74 L76 I85 L95 N96 L97 N100	L4-L71 HydrophobicContact CD1-CD2 3.73Å; L4-L71 HydrophobicContact CD2-CD2 4.42Å; M45-L71 HydrophobicContact CB-CD2 3.9Å; I50-L71 HydrophobicContact CD1-CD2 3.96Å; L69-L71 HydrophobicContact CD1-CD2 4.3Å; L69-L71 HydrophobicContact CD1-CG 4.18Å; L69-L71 HydrophobicContact CD2-CD1 3.81Å; L69-L71 HydrophobicContact CD2-CG 4.23Å; L69-L71 HydrophobicContact CG-CD1 4.02Å; L69-L71 HydrophobicContact CG-CG 3.92Å; L71-N74 VanDerWaalsContact C-ND2 3.29Å; L71-N74 WeakPolarHBondContact O-CB 3.33Å; L71-N74 PolarHBondContact O-ND2 2.76Å; L71-L76 HydrophobicContact CB-CD1 4.44Å; L71-L76 HydrophobicContact CD1-CD1 4.05Å; L71-I85 HydrophobicContact CD1-CD1 3.45Å; L71-I85 VanDerWaalsContact CD1-CD1 3.45Å; L71-L95 HydrophobicContact CD1-CD1 4.21Å; L71-N96 CarbonylContact C-O 3.2Å; L71-N96 WeakPolarHBondContact CA-O 3.39Å; L71-N96 WeakPolarHBondContact CB-O 3.23Å; L71-N96 PolarHBondContact N-O 3.05Å; L71-L97 HydrophobicContact CB-CD2 4.31Å; L71-L97 HydrophobicContact CD1-CD2 4.26Å; L71-N100 PolarHBondContact O-ND2 3.22Å
72	A	97.6	Very high	94.9	Very high	9 Å²	9	31.8 Å²	31.8	7%	0.074	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	155.2	180	0	0	0	0	0	112.7	D46 S47 D70 N74 N96 S98	D46-A72 CarbonylContact C-O 3.35Å; D46-A72 WeakPolarHBondContact CA-O 3.49Å; D46-A72 HydrophobicContact CB-CB 4.29Å; D46-A72 VanDerWaalsContact CB-O 3.31Å; D46-A72 WeakPolarHBondContact CB-O 3.37Å; S47-A72 PolarHBondContact N-O 3.2Å; D70-A72 VanDerWaalsContact OD1-CB 3.24Å; D70-A72 WeakPolarHBondContact OD1-CB 3.36Å; D70-A72 PolarHBondContact OD1-N 3.43Å; A72-N74 PolarHBondContact O-N 3.38Å; A72-N74 VanDerWaalsContact O-N 3.15Å; A72-N74 PolarHBondContact O-ND2 3.42Å; A72-N96 PolarHBondContact N-O 2.96Å; A72-S98 CarbonylContact C-O 3.42Å; A72-S98 WeakPolarHBondContact CA-O 3.36Å
73	C	97.2	Very high	95.3	Very high	43 Å²	43	31.4 Å²	31.4	29%	0.291	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	34.3	175.7	-52.1	0	0	0	0	113.6	S47 S98 Q99	S47-C73 WeakPolarHBondContact CA-O 3.46Å; S47-C73 WeakPolarHBondContact OG-CB 3.26Å; C73-S98 PolarHBondContact N-O 2.86Å; C73-Q99 HydrophobicContact CB-CB 4.5Å; C73-Q99 PolarHBondContact SG-NE2 2.94Å; C73-Q99 VanDerWaalsContact SG-NE2 3.43Å; C73-Q99 PolarHBondContact SG-OE1 2.93Å; C73-Q99 VanDerWaalsContact SG-OE1 3.38Å
74	N	97.1	Very high	95.6	Very high	6 Å²	6	34 Å²	34	3%	0.032	17%	0.167	C	C	.	.	S	Bend	trans	-105.8	-169	172.9	-78.1	-70.2	0	0	0	110.1	M45 Q48 D49 I50 L71 A72 N100	M45-N74 PolarHBondContact O-ND2 3.21Å; Q48-N74 PolarHBondContact N-OD1 3.45Å; D49-N74 PolarHBondContact N-OD1 3.35Å; I50-N74 HydrophobicContact CB-CB 4.13Å; I50-N74 WeakPolarHBondContact CB-OD1 3.42Å; I50-N74 PolarHBondContact N-OD1 3.07Å; L71-N74 VanDerWaalsContact C-ND2 3.29Å; L71-N74 WeakPolarHBondContact O-CB 3.33Å; L71-N74 PolarHBondContact O-ND2 2.76Å; A72-N74 PolarHBondContact O-N 3.38Å; A72-N74 VanDerWaalsContact O-N 3.15Å; A72-N74 PolarHBondContact O-ND2 3.42Å; N74-N100 WeakPolarHBondContact CA-OD1 3.38Å; N74-N100 WeakPolarHBondContact CB-OD1 3.29Å; N74-N100 PolarHBondContact O-OD1 3.26Å
75	R	95.8	Very high	95.9	Very high	117 Å²	117	28.3 Å²	28.3	44%	0.442	14%	0.141	S	C	.	.			trans	-119.6	30	-174.3	-59.5	-176.9	-165.7	-150.1	11	111.7	D49 I50 K51 S77 N100	D49-R75 IonicContact OD1-CZ 3.9Å; D49-R75 IonicContact OD1-NE 3.74Å; D49-R75 PolarHBondContact OD1-NE 3.47Å; D49-R75 IonicContact OD1-NH2 3.3Å; D49-R75 PolarHBondContact OD1-NH2 3.06Å; D49-R75 IonicContact OD2-NH2 2.92Å; I50-R75 CarbonylContact O-C 3.53Å; I50-R75 VanDerWaalsContact O-C 3.3Å; I50-R75 WeakPolarHBondContact O-CA 3.41Å; I50-R75 PolarHBondContact O-N 3.12Å; K51-R75 HydrophobicContact CD-CB 4.4Å; K51-R75 HydrophobicContact CG-CB 3.53Å; R75-S77 PolarHBondContact O-N 2.78Å; R75-N100 PolarHBondContact N-OD1 2.88Å
76	L	95.5	Very high	96.2	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.134	C	C	.	.			trans	-68.9	114.9	173.6	-66.9	169.7	0	0	0	109.2	I50 L71 E81 L97 N100 P101 L102	I50-L76 HydrophobicContact CG2-CD2 4.31Å; I50-L76 PolarHBondContact O-N 3.03Å; L71-L76 HydrophobicContact CB-CD1 4.44Å; L71-L76 HydrophobicContact CD1-CD1 4.05Å; L76-E81 HydrophobicContact CD2-CB 4.17Å; L76-L97 HydrophobicContact CD1-CD2 3.99Å; L76-N100 HydrophobicContact CB-CB 4.26Å; L76-N100 WeakPolarHBondContact CB-OD1 3.41Å; L76-N100 PolarHBondContact N-OD1 3.41Å; L76-N100 WeakPolarHBondContact O-CB 3.42Å; L76-P101 WeakPolarHBondContact O-CD 3.07Å; L76-L102 WeakPolarHBondContact O-CD2 3.33Å
77	S	93.9	Very high	96.3	Very high	52 Å²	52	27.7 Å²	27.7	36%	0.364	14%	0.141	S	C	.	.			trans	-111.5	-5.1	179.6	60.6	0	0	0	0	114	R75	R75-S77 PolarHBondContact O-N 2.78Å
78	S	93.2	Very high	96.4	Very high	33 Å²	33	27.8 Å²	27.8	23%	0.231	14%	0.141	C	C	.	.			trans	-117.3	128.7	-177.6	178.8	0	0	0	0	112.1	E80 E81 V82	S78-E80 PolarHBondContact O-N 2.72Å; S78-E80 VanDerWaalsContact OG-CB 3.29Å; S78-E80 WeakPolarHBondContact OG-CB 3.37Å; S78-E80 PolarHBondContact OG-N 2.8Å; S78-E80 VanDerWaalsContact OG-N 3.09Å; S78-E80 PolarHBondContact OG-OE2 3.01Å; S78-E81 PolarHBondContact O-N 3.47Å; S78-V82 PolarHBondContact O-N 3.24Å
79	F	94.8	Very high	96.3	Very high	7 Å²	7	25.7 Å²	25.7	3%	0.031	13%	0.131	C	C	.	.	H	α-helix	trans	-64.4	-22.2	169.8	-85	-75.5	0	0	0	112.9	E81 V82 F83 L102 P225 V254 W258 L262	F79-E81 VanDerWaalsContact C-N 3.29Å; F79-E81 PolarHBondContact O-N 3.41Å; F79-V82 HydrophobicContact CD1-CB 4.26Å; F79-V82 HydrophobicContact CD1-CG2 4.33Å; F79-V82 WeakPolarHBondContact O-CB 3.49Å; F79-V82 PolarHBondContact O-N 3.34Å; F79-V82 VanDerWaalsContact O-N 3.13Å; F79-F83 HydrophobicContact CB-CD2 4.38Å; F79-F83 HydrophobicContact CB-CE2 4.42Å; F79-F83 WeakPolarHBondContact O-CD2 3.4Å; F79-F83 PolarHBondContact O-N 3.18Å; F79-L102 HydrophobicContact CE1-CD1 4.39Å; F79-L102 HydrophobicContact CE2-CB 4Å; F79-L102 HydrophobicContact CZ-CB 4.13Å; F79-L102 HydrophobicContact CZ-CD1 4.28Å; F79-P225 HydrophobicContact CB-CB 3.92Å; F79-P225 HydrophobicContact CD1-CB 3.85Å; F79-P225 HydrophobicContact CD1-CG 4.25Å; F79-P225 HydrophobicContact CD2-CB 3.97Å; F79-P225 HydrophobicContact CD2-CG 3.78Å; F79-P225 HydrophobicContact CE1-CB 4.37Å; F79-P225 HydrophobicContact CE1-CG 4.36Å; F79-P225 HydrophobicContact CE2-CB 4.46Å; F79-P225 HydrophobicContact CE2-CG 3.9Å; F79-P225 HydrophobicContact CG-CB 3.62Å; F79-P225 HydrophobicContact CG-CG 3.96Å; F79-P225 HydrophobicContact CZ-CG 4.17Å; F79-V254 HydrophobicContact CE2-CG1 4.45Å; F79-V254 HydrophobicContact CE2-CG2 4.05Å; F79-V254 HydrophobicContact CZ-CG1 4.02Å; F79-V254 HydrophobicContact CZ-CG2 3.71Å; F79-W258 HydrophobicContact CD2-CE3 4.15Å; F79-W258 AromaticContact CD2-CZ3 3.98Å; F79-W258 HydrophobicContact CD2-CZ3 3.98Å; F79-W258 AromaticContact CE2-CE3 3.63Å; F79-W258 HydrophobicContact CE2-CE3 3.63Å; F79-W258 AromaticContact CE2-CZ3 3.79Å; F79-W258 HydrophobicContact CE2-CZ3 3.79Å; F79-L262 HydrophobicContact CD1-CD1 4.41Å; F79-L262 HydrophobicContact CD1-CD2 4.04Å; F79-L262 HydrophobicContact CE1-CD1 3.54Å; F79-L262 HydrophobicContact CE1-CD2 4Å; F79-L262 HydrophobicContact CE1-CG 4.31Å; F79-L262 HydrophobicContact CZ-CD1 4.01Å
80	E	94.7	Very high	96.2	Very high	60 Å²	60	31.4 Å²	31.4	28%	0.28	16%	0.158	S	C	.	.	H	α-helix	trans	-60.2	-40.9	172.9	-65.3	174.4	104.1	0	0	111.7	S78 V82 F83 K84 S232 I234	S78-E80 PolarHBondContact O-N 2.72Å; S78-E80 VanDerWaalsContact OG-CB 3.29Å; S78-E80 WeakPolarHBondContact OG-CB 3.37Å; S78-E80 PolarHBondContact OG-N 2.8Å; S78-E80 VanDerWaalsContact OG-N 3.09Å; S78-E80 PolarHBondContact OG-OE2 3.01Å; E80-V82 VanDerWaalsContact C-N 3.34Å; E80-F83 PolarHBondContact O-N 3.03Å; E80-K84 VanDerWaalsContact O-CG 3.31Å; E80-K84 WeakPolarHBondContact O-CG 3.42Å; E80-K84 PolarHBondContact O-N 3.2Å; E80-S232 WeakPolarHBondContact OE1-CB 3.32Å; E80-S232 PolarHBondContact OE1-OG 3.09Å; E80-I234 HydrophobicContact CB-CD1 3.4Å; E80-I234 VanDerWaalsContact CB-CD1 3.4Å; E80-I234 HydrophobicContact CG-CD1 3.77Å
81	E	95.6	Very high	96.1	Very high	27 Å²	27	35.4 Å²	35.4	13%	0.126	17%	0.174	C	C	.	.	H	α-helix	trans	-66.3	-38.2	174.8	-62.3	-62.1	120.9	0	0	110.9	S52 I53 L76 S78 F79 K84 I85	S52-E81 WeakPolarHBondContact CA-OE2 3.32Å; S52-E81 WeakPolarHBondContact CB-OE2 3.21Å; I53-E81 HydrophobicContact CG1-CB 4.19Å; I53-E81 VanDerWaalsContact CG1-OE2 3.32Å; I53-E81 WeakPolarHBondContact CG1-OE2 3.32Å; I53-E81 PolarHBondContact N-OE2 2.8Å; L76-E81 HydrophobicContact CD2-CB 4.17Å; S78-E81 PolarHBondContact O-N 3.47Å; F79-E81 VanDerWaalsContact C-N 3.29Å; F79-E81 PolarHBondContact O-N 3.41Å; E81-K84 WeakPolarHBondContact O-CB 3.45Å; E81-K84 PolarHBondContact O-N 2.88Å; E81-K84 IonicContact OE1-NZ 2.67Å; E81-K84 PolarHBondContact OE1-NZ 3.45Å; E81-I85 PolarHBondContact O-N 3.21Å; E81-I85 VanDerWaalsContact O-N 3.11Å
82	V	96.9	Very high	96.1	Very high	5 Å²	5	35.6 Å²	35.6	3%	0.03	18%	0.175	C	C	.	.	H	α-helix	trans	-62.5	-46.9	174.6	179.2	0	0	0	0	111.1	S78 F79 E80 K84 I85 L86 L95 L97 L102	S78-V82 PolarHBondContact O-N 3.24Å; F79-V82 HydrophobicContact CD1-CB 4.26Å; F79-V82 HydrophobicContact CD1-CG2 4.33Å; F79-V82 WeakPolarHBondContact O-CB 3.49Å; F79-V82 PolarHBondContact O-N 3.34Å; F79-V82 VanDerWaalsContact O-N 3.13Å; E80-V82 VanDerWaalsContact C-N 3.34Å; V82-K84 VanDerWaalsContact C-N 3.3Å; V82-K84 PolarHBondContact O-N 3.31Å; V82-I85 WeakPolarHBondContact O-CB 3.32Å; V82-I85 PolarHBondContact O-N 3.02Å; V82-I85 VanDerWaalsContact O-N 3.13Å; V82-L86 HydrophobicContact CG1-CD1 4.3Å; V82-L86 WeakPolarHBondContact O-CG 3.29Å; V82-L86 PolarHBondContact O-N 3.46Å; V82-L86 VanDerWaalsContact O-N 3.07Å; V82-L95 HydrophobicContact CG1-CD2 4.35Å; V82-L97 HydrophobicContact CB-CD1 4.5Å; V82-L97 HydrophobicContact CG1-CD1 3.73Å; V82-L97 HydrophobicContact CG2-CD1 3.9Å; V82-L97 HydrophobicContact CG2-CD2 4.31Å; V82-L102 HydrophobicContact CG2-CD1 4.45Å; V82-L102 HydrophobicContact CG2-CD2 4.04Å
83	F	97.3	Very high	96.1	Very high	1 Å²	1	38.2 Å²	38.2	0%	0.004	19%	0.185	C	C	.	.	H	α-helix	trans	-66.2	-30.2	176.7	-79.9	-73.8	0	0	0	112.6	F79 E80 L86 C87 P225 A229 I234 I235 F241 L262 R265	F79-F83 HydrophobicContact CB-CD2 4.38Å; F79-F83 HydrophobicContact CB-CE2 4.42Å; F79-F83 WeakPolarHBondContact O-CD2 3.4Å; F79-F83 PolarHBondContact O-N 3.18Å; E80-F83 PolarHBondContact O-N 3.03Å; F83-L86 HydrophobicContact CD1-CD1 4.37Å; F83-L86 PolarHBondContact O-N 3.09Å; F83-C87 VanDerWaalsContact O-CB 3.27Å; F83-C87 WeakPolarHBondContact O-CB 3.33Å; F83-C87 PolarHBondContact O-N 3.32Å; F83-C87 PolarHBondContact O-SG 3.07Å; F83-P225 HydrophobicContact CE2-CB 3.96Å; F83-P225 WeakPolarHBondContact CE2-O 3.35Å; F83-A229 HydrophobicContact CB-CB 4Å; F83-A229 HydrophobicContact CD1-CB 4.33Å; F83-A229 HydrophobicContact CD2-CB 3.34Å; F83-A229 HydrophobicContact CE2-CB 3.81Å; F83-A229 HydrophobicContact CG-CB 3.64Å; F83-A229 HydrophobicContact CZ-CB 4.46Å; F83-I234 HydrophobicContact CB-CG2 3.85Å; F83-I235 HydrophobicContact CB-CG2 4.22Å; F83-I235 HydrophobicContact CD1-CD1 4.14Å; F83-I235 HydrophobicContact CD1-CG2 3.81Å; F83-I235 HydrophobicContact CE1-CD1 3.95Å; F83-I235 HydrophobicContact CG-CG2 4.27Å; F83-I235 HydrophobicContact CZ-CD1 4.39Å; F83-F241 AromaticContact CD1-CE2 3.79Å; F83-F241 HydrophobicContact CD1-CE2 3.79Å; F83-F241 AromaticContact CD1-CZ 3.93Å; F83-F241 HydrophobicContact CD1-CZ 3.93Å; F83-F241 AromaticContact CE1-CE2 3.85Å; F83-F241 HydrophobicContact CE1-CE2 3.85Å; F83-F241 HydrophobicContact CE1-CZ 4.43Å; F83-L262 HydrophobicContact CE2-CD2 4.07Å; F83-L262 HydrophobicContact CZ-CD2 3.79Å; F83-R265 HydrophobicContact CE1-CG 4.38Å
84	K	96.8	Very high	96.2	Very high	55 Å²	55	37.3 Å²	37.3	24%	0.239	18%	0.179	C	C	.	.	H	α-helix	trans	-61.5	-44.4	169.5	-72.9	169.5	-168.6	171	0	111.4	I53 E80 E81 V82 C87 W88 I234	I53-K84 HydrophobicContact CG1-CB 4.27Å; E80-K84 VanDerWaalsContact O-CG 3.31Å; E80-K84 WeakPolarHBondContact O-CG 3.42Å; E80-K84 PolarHBondContact O-N 3.2Å; E81-K84 WeakPolarHBondContact O-CB 3.45Å; E81-K84 PolarHBondContact O-N 2.88Å; E81-K84 IonicContact OE1-NZ 2.67Å; E81-K84 PolarHBondContact OE1-NZ 3.45Å; V82-K84 VanDerWaalsContact C-N 3.3Å; V82-K84 PolarHBondContact O-N 3.31Å; K84-C87 PolarHBondContact O-N 3.34Å; K84-W88 HydrophobicContact CB-CD2 4.28Å; K84-W88 HydrophobicContact CB-CE3 4.4Å; K84-W88 HydrophobicContact CB-CH2 4.06Å; K84-W88 HydrophobicContact CB-CZ2 3.89Å; K84-W88 HydrophobicContact CB-CZ3 4.32Å; K84-W88 HydrophobicContact CD-CH2 3.95Å; K84-W88 HydrophobicContact CD-CZ2 4.01Å; K84-W88 HydrophobicContact CG-CH2 4.13Å; K84-W88 HydrophobicContact CG-CZ2 3.78Å; K84-W88 WeakPolarHBondContact O-CB 3.32Å; K84-W88 PolarHBondContact O-N 3.13Å; K84-I234 HydrophobicContact CG-CD1 4.4Å; K84-I234 HydrophobicContact CG-CG2 4.08Å
85	I	96.9	Very high	96.2	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-55.8	-55	174.1	-62	167.2	0	0	0	109.9	I53 L69 L71 E81 V82 C87 W88 L89 L92	I53-I85 HydrophobicContact CD1-CD1 3.53Å; I53-I85 HydrophobicContact CD1-CG1 3.13Å; I53-I85 HydrophobicContact CG1-CG1 4.14Å; L69-I85 HydrophobicContact CD2-CG2 3.85Å; L71-I85 HydrophobicContact CD1-CD1 3.45Å; L71-I85 VanDerWaalsContact CD1-CD1 3.45Å; E81-I85 PolarHBondContact O-N 3.21Å; E81-I85 VanDerWaalsContact O-N 3.11Å; V82-I85 WeakPolarHBondContact O-CB 3.32Å; V82-I85 PolarHBondContact O-N 3.02Å; V82-I85 VanDerWaalsContact O-N 3.13Å; I85-C87 VanDerWaalsContact C-N 3.27Å; I85-C87 PolarHBondContact O-N 3.34Å; I85-W88 PolarHBondContact O-N 3.13Å; I85-W88 VanDerWaalsContact O-N 3.16Å; I85-L89 HydrophobicContact CG2-CD1 4.06Å; I85-L89 HydrophobicContact CG2-CG 4.5Å; I85-L89 WeakPolarHBondContact O-CB 3.38Å; I85-L89 PolarHBondContact O-N 3.48Å; I85-L92 HydrophobicContact CG2-CD2 4Å
86	L	97.3	Very high	96.4	Very high	12 Å²	12	32.8 Å²	32.8	6%	0.063	16%	0.164	C	C	.	.	H	α-helix	trans	-62.2	-35.7	-175	-64.2	175.4	0	0	0	111.9	V82 F83 L95 F241 L244	V82-L86 HydrophobicContact CG1-CD1 4.3Å; V82-L86 WeakPolarHBondContact O-CG 3.29Å; V82-L86 PolarHBondContact O-N 3.46Å; V82-L86 VanDerWaalsContact O-N 3.07Å; F83-L86 HydrophobicContact CD1-CD1 4.37Å; F83-L86 PolarHBondContact O-N 3.09Å; L86-L95 HydrophobicContact CD2-CD2 3.87Å; L86-L95 HydrophobicContact CG-CD2 4.43Å; L86-F241 HydrophobicContact CB-CD1 3.58Å; L86-F241 HydrophobicContact CB-CD2 4.19Å; L86-F241 HydrophobicContact CB-CE1 3.44Å; L86-F241 VanDerWaalsContact CB-CE1 3.44Å; L86-F241 HydrophobicContact CB-CE2 4.08Å; L86-F241 HydrophobicContact CB-CG 3.95Å; L86-F241 HydrophobicContact CB-CZ 3.7Å; L86-F241 HydrophobicContact CD1-CD2 4.01Å; L86-F241 HydrophobicContact CD1-CE2 4.03Å; L86-F241 HydrophobicContact CD1-CG 4.41Å; L86-F241 HydrophobicContact CD1-CZ 4.43Å; L86-F241 WeakPolarHBondContact O-CD1 3.28Å; L86-F241 WeakPolarHBondContact O-CE1 3.37Å; L86-L244 HydrophobicContact CD2-CD1 4.44Å; L86-L244 HydrophobicContact CD2-CD2 4.07Å
87	C	96.5	Very high	96.5	Very high	20 Å²	20	32.8 Å²	32.8	14%	0.135	16%	0.164	C	C	.	.	H	α-helix	trans	-74	-33	175.8	-82.3	0	0	0	0	114.1	F83 K84 I85 E90	F83-C87 VanDerWaalsContact O-CB 3.27Å; F83-C87 WeakPolarHBondContact O-CB 3.33Å; F83-C87 PolarHBondContact O-N 3.32Å; F83-C87 PolarHBondContact O-SG 3.07Å; K84-C87 PolarHBondContact O-N 3.34Å; I85-C87 VanDerWaalsContact C-N 3.27Å; I85-C87 PolarHBondContact O-N 3.34Å; C87-E90 WeakPolarHBondContact O-CG 3.44Å
88	W	96.3	Very high	96.7	Very high	52 Å²	52	30.7 Å²	30.7	20%	0.197	15%	0.149	C	C	.	.	H	α-helix	trans	-91.2	-36.8	-174.7	-58.7	-9.6	0	0	0	111.5	I53 K56 L59 L60 K84 I85 E90	I53-W88 HydrophobicContact CB-CZ3 4.03Å; I53-W88 HydrophobicContact CG2-CE3 3.85Å; I53-W88 HydrophobicContact CG2-CZ3 3.46Å; I53-W88 VanDerWaalsContact CG2-CZ3 3.46Å; K56-W88 HydrophobicContact CB-CD2 4.01Å; K56-W88 HydrophobicContact CB-CE3 3.95Å; K56-W88 HydrophobicContact CB-CH2 3.92Å; K56-W88 HydrophobicContact CB-CZ2 3.98Å; K56-W88 HydrophobicContact CB-CZ3 3.9Å; K56-W88 HydrophobicContact CD-CD2 4.13Å; K56-W88 HydrophobicContact CD-CG 4.19Å; K56-W88 HydrophobicContact CD-CZ2 4.39Å; K56-W88 HydrophobicContact CG-CD2 3.68Å; K56-W88 HydrophobicContact CG-CE3 4.03Å; K56-W88 HydrophobicContact CG-CG 3.93Å; K56-W88 HydrophobicContact CG-CZ2 4.33Å; K56-W88 HydrophobicContact CG-CZ3 4.47Å; L59-W88 HydrophobicContact CD2-CE3 3.84Å; L60-W88 HydrophobicContact CD2-CB 4.44Å; L60-W88 WeakPolarHBondContact CD2-O 3.35Å; K84-W88 HydrophobicContact CB-CD2 4.28Å; K84-W88 HydrophobicContact CB-CE3 4.4Å; K84-W88 HydrophobicContact CB-CH2 4.06Å; K84-W88 HydrophobicContact CB-CZ2 3.89Å; K84-W88 HydrophobicContact CB-CZ3 4.32Å; K84-W88 HydrophobicContact CD-CH2 3.95Å; K84-W88 HydrophobicContact CD-CZ2 4.01Å; K84-W88 HydrophobicContact CG-CH2 4.13Å; K84-W88 HydrophobicContact CG-CZ2 3.78Å; K84-W88 WeakPolarHBondContact O-CB 3.32Å; K84-W88 PolarHBondContact O-N 3.13Å; I85-W88 PolarHBondContact O-N 3.13Å; I85-W88 VanDerWaalsContact O-N 3.16Å; W88-E90 PolarHBondContact O-N 3.41Å
89	L	96.1	Very high	96.9	Very high	5 Å²	5	33.3 Å²	33.3	3%	0.026	16%	0.158	C	C	.	.	S	Bend	trans	-97.2	65.3	175.6	-55.1	-175.2	0	0	0	110	L59 A63 L69 I85 K91 L92	L59-L89 HydrophobicContact CD2-CD2 4.34Å; L59-L89 HydrophobicContact CD2-CG 4.41Å; L59-L89 HydrophobicContact CG-CD2 4.45Å; A63-L89 HydrophobicContact CB-CD2 4.47Å; L69-L89 HydrophobicContact CD2-CD1 3.9Å; I85-L89 HydrophobicContact CG2-CD1 4.06Å; I85-L89 HydrophobicContact CG2-CG 4.5Å; I85-L89 WeakPolarHBondContact O-CB 3.38Å; I85-L89 PolarHBondContact O-N 3.48Å; L89-K91 PolarHBondContact O-N 3.48Å; L89-L92 HydrophobicContact CB-CB 4.2Å; L89-L92 WeakPolarHBondContact O-CB 3.47Å; L89-L92 PolarHBondContact O-N 3.11Å
90	E	94.9	Very high	97	Very high	123 Å²	123	33 Å²	33	58%	0.575	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-17	-170.3	-60.2	-163.8	137.9	0	0	115	C87 W88 K239	C87-E90 WeakPolarHBondContact O-CG 3.44Å; W88-E90 PolarHBondContact O-N 3.41Å; E90-K239 IonicContact OE1-NZ 2.88Å; E90-K239 PolarHBondContact OE1-NZ 3.15Å
91	K	95.9	Very high	97	Very high	115 Å²	115	32.1 Å²	32.1	50%	0.5	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	7.7	178.8	-62.7	-179.8	-176.3	168.1	0	112.8	R67 L89 E93	R67-K91 WeakPolarHBondContact CD-O 3.42Å; R67-K91 VanDerWaalsContact CZ-CB 3.42Å; R67-K91 VanDerWaalsContact NH1-CB 3.26Å; R67-K91 VanDerWaalsContact NH2-CD 3.28Å; L89-K91 PolarHBondContact O-N 3.48Å; K91-E93 PolarHBondContact O-N 2.8Å
92	L	97.5	Very high	96.9	Very high	5 Å²	5	31.1 Å²	31.1	3%	0.026	15%	0.152	C	C	.	.			trans	-63.9	129.3	-179.5	-165.5	72.2	0	0	0	110.6	V66 R67 L69 I85 L89 L95 C243 L244	V66-L92 HydrophobicContact CG1-CD1 4.24Å; R67-L92 WeakPolarHBondContact O-CD1 3.46Å; L69-L92 HydrophobicContact CB-CD1 3.69Å; L69-L92 HydrophobicContact CB-CD2 4.37Å; I85-L92 HydrophobicContact CG2-CD2 4Å; L89-L92 HydrophobicContact CB-CB 4.2Å; L89-L92 WeakPolarHBondContact O-CB 3.47Å; L89-L92 PolarHBondContact O-N 3.11Å; L92-L95 HydrophobicContact CD2-CB 3.89Å; L92-L95 HydrophobicContact CD2-CD1 4.16Å; L92-L95 HydrophobicContact CD2-CD2 4.35Å; L92-L95 HydrophobicContact CD2-CG 4.34Å; L92-C243 CarbonylContact O-C 3.47Å; L92-C243 WeakPolarHBondContact O-CB 3.47Å; L92-L244 HydrophobicContact CD2-CD1 4.23Å; L92-L244 HydrophobicContact CG-CD1 4.2Å; L92-L244 WeakPolarHBondContact O-CA 3.49Å; L92-L244 PolarHBondContact O-N 2.76Å
93	E	98.3	Very high	96.5	Very high	65 Å²	65	31 Å²	31	30%	0.304	15%	0.151	S	C	.	.			trans	-106.3	-32.2	-177.6	-61.6	175.1	-136	0	0	111.9	R41 R67 K91 C243 S245 V246	R41-E93 IonicContact CZ-OE2 2.73Å; R41-E93 IonicContact NE-OE1 3.78Å; R41-E93 IonicContact NH2-OE1 3.84Å; R41-E93 PolarHBondContact NH2-OE1 3.09Å; R41-E93 IonicContact NH2-OE2 2.89Å; R41-E93 PolarHBondContact NH2-OE2 3.06Å; R67-E93 HydrophobicContact CB-CB 4.38Å; R67-E93 HydrophobicContact CB-CG 4.17Å; R67-E93 WeakPolarHBondContact CD-OE1 3.48Å; R67-E93 WeakPolarHBondContact CG-OE1 3.46Å; R67-E93 WeakPolarHBondContact O-CA 3.2Å; R67-E93 PolarHBondContact O-N 3.22Å; K91-E93 PolarHBondContact O-N 2.8Å; E93-C243 WeakPolarHBondContact CA-O 3.35Å; E93-S245 PolarHBondContact O-N 3.19Å; E93-S245 PolarHBondContact O-OG 3.28Å; E93-V246 PolarHBondContact O-N 3.14Å
94	S	98.4	Very high	95.4	Very high	23 Å²	23	35.1 Å²	35.1	16%	0.161	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	133.9	176.7	179.8	0	0	0	0	111.5	R67 E68 L69 V246	R67-S94 PolarHBondContact O-N 3.33Å; E68-S94 WeakPolarHBondContact CA-O 3.44Å; L69-S94 PolarHBondContact N-O 2.86Å; S94-V246 WeakPolarHBondContact CA-O 3.48Å
95	L	98.5	Very high	93.6	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.01	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	116.8	176.3	179.8	57.3	0	0	0	110.3	L69 L71 V82 L86 L92 L97 L244 V246 L247 A248	L69-L95 HydrophobicContact CB-CD1 4.28Å; L69-L95 HydrophobicContact CD2-CD1 4.25Å; L69-L95 HydrophobicContact CG-CD1 4.27Å; L69-L95 WeakPolarHBondContact O-CA 3.5Å; L71-L95 HydrophobicContact CD1-CD1 4.21Å; V82-L95 HydrophobicContact CG1-CD2 4.35Å; L86-L95 HydrophobicContact CD2-CD2 3.87Å; L86-L95 HydrophobicContact CG-CD2 4.43Å; L92-L95 HydrophobicContact CD2-CB 3.89Å; L92-L95 HydrophobicContact CD2-CD1 4.16Å; L92-L95 HydrophobicContact CD2-CD2 4.35Å; L92-L95 HydrophobicContact CD2-CG 4.34Å; L95-L97 HydrophobicContact CD1-CD2 4.21Å; L95-L97 HydrophobicContact CD1-CG 4.24Å; L95-L97 HydrophobicContact CD2-CD1 3.92Å; L95-L97 HydrophobicContact CD2-CG 4.21Å; L95-L97 HydrophobicContact CG-CD1 4.15Å; L95-L97 HydrophobicContact CG-CD2 4.4Å; L95-L97 HydrophobicContact CG-CG 3.93Å; L95-L244 HydrophobicContact CB-CD1 3.84Å; L95-V246 PolarHBondContact N-O 2.86Å; L95-L247 HydrophobicContact CB-CD1 4.4Å; L95-L247 HydrophobicContact CG-CD1 4.49Å; L95-A248 PolarHBondContact O-N 2.81Å
96	N	98.4	Very high	91.7	Very high	26 Å²	26	41.8 Å²	41.8	14%	0.139	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	114.6	173.9	-175.6	9.5	0	0	0	110.4	L69 D70 L71 A72 S98 A248	L69-N96 PolarHBondContact O-N 3.03Å; D70-N96 HydrophobicContact CB-CB 4.4Å; D70-N96 WeakPolarHBondContact OD1-CB 3.44Å; D70-N96 PolarHBondContact OD1-ND2 2.79Å; D70-N96 PolarHBondContact OD2-ND2 3.04Å; L71-N96 CarbonylContact C-O 3.2Å; L71-N96 WeakPolarHBondContact CA-O 3.39Å; L71-N96 WeakPolarHBondContact CB-O 3.23Å; L71-N96 PolarHBondContact N-O 3.05Å; A72-N96 PolarHBondContact N-O 2.96Å; N96-S98 WeakPolarHBondContact OD1-CB 3.42Å; N96-S98 PolarHBondContact OD1-N 3.04Å; N96-S98 PolarHBondContact OD1-OG 3.27Å; N96-A248 HydrophobicContact CB-CB 4.27Å; N96-A248 WeakPolarHBondContact OD1-CB 3.46Å
97	L	98.2	Very high	89.2	Confident	1 Å²	1	44 Å²	44	1%	0.005	22%	0.217	C	C	.	.			trans	-113.8	12.6	177.6	-65.8	166.4	0	0	0	111.7	L71 L76 V82 L95 N100 L102 L247 A248 L249 T252	L71-L97 HydrophobicContact CB-CD2 4.31Å; L71-L97 HydrophobicContact CD1-CD2 4.26Å; L76-L97 HydrophobicContact CD1-CD2 3.99Å; V82-L97 HydrophobicContact CB-CD1 4.5Å; V82-L97 HydrophobicContact CG1-CD1 3.73Å; V82-L97 HydrophobicContact CG2-CD1 3.9Å; V82-L97 HydrophobicContact CG2-CD2 4.31Å; L95-L97 HydrophobicContact CD1-CD2 4.21Å; L95-L97 HydrophobicContact CD1-CG 4.24Å; L95-L97 HydrophobicContact CD2-CD1 3.92Å; L95-L97 HydrophobicContact CD2-CG 4.21Å; L95-L97 HydrophobicContact CG-CD1 4.15Å; L95-L97 HydrophobicContact CG-CD2 4.4Å; L95-L97 HydrophobicContact CG-CG 3.93Å; L97-N100 WeakPolarHBondContact O-CB 3.26Å; L97-N100 PolarHBondContact O-N 3.08Å; L97-N100 PolarHBondContact O-ND2 3.02Å; L97-L102 HydrophobicContact CB-CD1 4.19Å; L97-L102 HydrophobicContact CD1-CD1 4.21Å; L97-L247 HydrophobicContact CD1-CD1 4.35Å; L97-A248 WeakPolarHBondContact CA-O 3.37Å; L97-A248 PolarHBondContact N-O 2.83Å; L97-L249 HydrophobicContact CB-CD2 4.14Å; L97-L249 HydrophobicContact CD1-CD2 4.05Å; L97-T252 WeakPolarHBondContact O-CG2 3.38Å
98	S	98.2	Very high	86.3	Confident	8 Å²	8	48.4 Å²	48.4	6%	0.056	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	144.5	-175.9	-58.4	0	0	0	0	111.9	A72 C73 N96 N100 A248 N250	A72-S98 CarbonylContact C-O 3.42Å; A72-S98 WeakPolarHBondContact CA-O 3.36Å; C73-S98 PolarHBondContact N-O 2.86Å; N96-S98 WeakPolarHBondContact OD1-CB 3.42Å; N96-S98 PolarHBondContact OD1-N 3.04Å; N96-S98 PolarHBondContact OD1-OG 3.27Å; S98-N100 PolarHBondContact O-N 3.24Å; S98-N100 PolarHBondContact O-ND2 3.4Å; S98-A248 PolarHBondContact N-O 2.97Å; S98-N250 CarbonylContact C-O 3.24Å; S98-N250 WeakPolarHBondContact CA-O 3.38Å; S98-N250 WeakPolarHBondContact CB-O 3.38Å; S98-N250 PolarHBondContact OG-N 3.01Å; S98-N250 PolarHBondContact OG-ND2 3.02Å
99	Q	96.7	Very high	83.4	Confident	87 Å²	87	52.5 Å²	52.5	41%	0.407	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.9	32.2	179.5	-56.3	179	56.4	0	0	114	C73 N250	C73-Q99 HydrophobicContact CB-CB 4.5Å; C73-Q99 PolarHBondContact SG-NE2 2.94Å; C73-Q99 VanDerWaalsContact SG-NE2 3.43Å; C73-Q99 PolarHBondContact SG-OE1 2.93Å; C73-Q99 VanDerWaalsContact SG-OE1 3.38Å; Q99-N250 PolarHBondContact N-O 2.94Å
100	N	96.9	Very high	80.5	Confident	1 Å²	1	61.2 Å²	61.2	1%	0.005	31%	0.305	C	S	.	.			trans	-103.9	142.5	164.2	-77.7	-92.3	0	0	0	109.9	L71 N74 R75 L76 L97 S98 L102 T252	L71-N100 PolarHBondContact O-ND2 3.22Å; N74-N100 WeakPolarHBondContact CA-OD1 3.38Å; N74-N100 WeakPolarHBondContact CB-OD1 3.29Å; N74-N100 PolarHBondContact O-OD1 3.26Å; R75-N100 PolarHBondContact N-OD1 2.88Å; L76-N100 HydrophobicContact CB-CB 4.26Å; L76-N100 WeakPolarHBondContact CB-OD1 3.41Å; L76-N100 PolarHBondContact N-OD1 3.41Å; L76-N100 WeakPolarHBondContact O-CB 3.42Å; L97-N100 WeakPolarHBondContact O-CB 3.26Å; L97-N100 PolarHBondContact O-N 3.08Å; L97-N100 PolarHBondContact O-ND2 3.02Å; S98-N100 PolarHBondContact O-N 3.24Å; S98-N100 PolarHBondContact O-ND2 3.4Å; N100-L102 HydrophobicContact CB-CD1 4.45Å; N100-L102 HydrophobicContact CB-CG 4.19Å; N100-L102 PolarHBondContact O-N 2.77Å; N100-T252 WeakPolarHBondContact O-CA 3.46Å; N100-T252 WeakPolarHBondContact O-CB 3.34Å
101	P	94.8	Very high	77.5	Confident	42 Å²	42	59.8 Å²	59.8	27%	0.273	31%	0.309	S	S	.	.			trans	-79.2	55.1	-173.4	33.7	-38	0	0	0	113.7	L76 Y104	L76-P101 WeakPolarHBondContact O-CD 3.07Å; P101-Y104 HydrophobicContact CB-CD2 3.71Å; P101-Y104 HydrophobicContact CB-CE2 4.29Å; P101-Y104 HydrophobicContact CB-CG 4.38Å
102	L	94.3	Very high	74.3	Confident	5 Å²	5	59.3 Å²	59.3	3%	0.026	32%	0.32	C	S	.	.	S	Bend	trans	-75.9	-27.8	-174.9	-67.8	169.6	0	0	0	113.6	L76 F79 V82 L97 N100 L249 T252 V254	L76-L102 WeakPolarHBondContact O-CD2 3.33Å; F79-L102 HydrophobicContact CE1-CD1 4.39Å; F79-L102 HydrophobicContact CE2-CB 4Å; F79-L102 HydrophobicContact CZ-CB 4.13Å; F79-L102 HydrophobicContact CZ-CD1 4.28Å; V82-L102 HydrophobicContact CG2-CD1 4.45Å; V82-L102 HydrophobicContact CG2-CD2 4.04Å; L97-L102 HydrophobicContact CB-CD1 4.19Å; L97-L102 HydrophobicContact CD1-CD1 4.21Å; N100-L102 HydrophobicContact CB-CD1 4.45Å; N100-L102 HydrophobicContact CB-CG 4.19Å; N100-L102 PolarHBondContact O-N 2.77Å; L102-L249 HydrophobicContact CD1-CD2 4.19Å; L102-T252 HydrophobicContact CD1-CG2 4.32Å; L102-V254 HydrophobicContact CB-CG2 3.65Å
103	G	88.3	Confident	71	Confident	2 Å²	2	67 Å²	67	2%	0.021	36%	0.361	C	S	.	.	S	Bend	trans	-109.8	-7.6	-179.2	0	0	0	0	0	115.9	H105 I106 T252 Y253	G103-H105 VanDerWaalsContact C-N 3.26Å; G103-H105 PolarHBondContact O-N 2.91Å; G103-I106 WeakPolarHBondContact O-CB 3.38Å; G103-I106 WeakPolarHBondContact O-CG1 3.5Å; G103-I106 PolarHBondContact O-N 3.38Å; G103-I106 VanDerWaalsContact O-N 3.15Å; G103-T252 WeakPolarHBondContact CA-O 3.4Å; G103-T252 PolarHBondContact N-O 3.43Å; G103-Y253 WeakPolarHBondContact CA-O 3.34Å
104	Y	74.2	Confident	68	Low	89 Å²	89	69.2 Å²	69.2	35%	0.349	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-64.4	-24.6	-173.8	-83.3	-91.4	0	0	0	114.6	P101 I106 S107 Y253	P101-Y104 HydrophobicContact CB-CD2 3.71Å; P101-Y104 HydrophobicContact CB-CE2 4.29Å; P101-Y104 HydrophobicContact CB-CG 4.38Å; Y104-I106 PolarHBondContact O-N 2.71Å; Y104-S107 PolarHBondContact O-N 2.65Å; Y104-S107 PolarHBondContact O-OG 3.09Å; Y104-Y253 AromaticContact CD2-CD2 3.96Å; Y104-Y253 HydrophobicContact CD2-CD2 3.96Å; Y104-Y253 HydrophobicContact CD2-CG 4.36Å; Y104-Y253 AromaticContact CE1-CD2 3.98Å; Y104-Y253 HydrophobicContact CE1-CD2 3.98Å; Y104-Y253 HydrophobicContact CE1-CE2 4.01Å; Y104-Y253 HydrophobicContact CE1-CG 4.35Å; Y104-Y253 AromaticContact CE2-CD2 3.23Å; Y104-Y253 HydrophobicContact CE2-CD2 3.23Å; Y104-Y253 AromaticContact CE2-CE2 3.71Å; Y104-Y253 HydrophobicContact CE2-CE2 3.71Å; Y104-Y253 HydrophobicContact CE2-CG 4.03Å; Y104-Y253 AromaticContact CZ-CD2 3.27Å; Y104-Y253 AromaticContact CZ-CE2 3.27Å; Y104-Y253 WeakPolarHBondContact OH-CD2 3.29Å; Y104-Y253 WeakPolarHBondContact OH-CE2 3.42Å
105	H	59.5	Low	64.8	Low	144 Å²	144	72.8 Å²	72.8	67%	0.667	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-64	-4.7	176.3	-72.4	-63.2	0	0	0	113.8	G103	G103-H105 VanDerWaalsContact C-N 3.26Å; G103-H105 PolarHBondContact O-N 2.91Å
106	I	57	Low	61.5	Low	51 Å²	51	82.4 Å²	82.4	26%	0.262	45%	0.451	S	S	.	.	G	3₁₀ helix	trans	-103.5	-26.7	-178	-45.6	-173	0	0	0	111.7	G103 Y104 L222 P255 W258	G103-I106 WeakPolarHBondContact O-CB 3.38Å; G103-I106 WeakPolarHBondContact O-CG1 3.5Å; G103-I106 PolarHBondContact O-N 3.38Å; G103-I106 VanDerWaalsContact O-N 3.15Å; Y104-I106 PolarHBondContact O-N 2.71Å; I106-L222 HydrophobicContact CB-CD1 4.13Å; I106-L222 HydrophobicContact CD1-CD1 4.03Å; I106-L222 HydrophobicContact CG1-CD1 3.66Å; I106-L222 HydrophobicContact CG2-CD1 3.82Å; I106-P255 HydrophobicContact CD1-CG 3.61Å; I106-W258 HydrophobicContact CD1-CD2 4.3Å; I106-W258 HydrophobicContact CD1-CE3 4.16Å; I106-W258 HydrophobicContact CD1-CH2 3.52Å; I106-W258 HydrophobicContact CD1-CZ2 3.63Å; I106-W258 HydrophobicContact CD1-CZ3 3.78Å; I106-W258 HydrophobicContact CG1-CH2 4.41Å
107	S	44.4	Very low	58.4	Low	59 Å²	59	87.3 Å²	87.3	41%	0.413	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-21.3	-173	49	0	0	0	0	114.9	Y104 N109	Y104-S107 PolarHBondContact O-N 2.65Å; Y104-S107 PolarHBondContact O-OG 3.09Å; S107-N109 VanDerWaalsContact C-N 3.34Å; S107-N109 PolarHBondContact O-N 2.82Å
108	D	36.6	Very low	55.5	Low	111 Å²	111	96 Å²	96	59%	0.594	52%	0.518	S	S	*	.	G	3₁₀ helix	trans	-84.4	11.7	-166	-73.9	-10.5	0	0	0	116.8	Q110	D108-Q110 PolarHBondContact O-N 2.96Å
109	N	33.8	Very low	52.6	Low	138 Å²	138	102 Å²	102	74%	0.738	55%	0.549	S	S	*	.	G	3₁₀ helix	trans	-84.8	16.4	174	-89.5	-27.2	0	0	0	114.7	S107	S107-N109 VanDerWaalsContact C-N 3.34Å; S107-N109 PolarHBondContact O-N 2.82Å
110	Q	35.9	Very low	49.8	Very low	189 Å²	189	104 Å²	104	88%	0.883	57%	0.568	S	S	*	*	G	3₁₀ helix	trans	-108.2	0.4	175.9	-71.2	-163.8	-0.6	0	0	116	D108	D108-Q110 PolarHBondContact O-N 2.96Å
111	S	31.5	Very low	46.9	Very low	92 Å²	92	112.1 Å²	112.1	64%	0.643	61%	0.609	S	S	*	*			trans	-150.3	59.3	179.4	59.4	0	0	0	0	114.1	N113	S111-N113 PolarHBondContact O-N 3.42Å
112	S	28.7	Very low	43.8	Very low	105 Å²	105	112.5 Å²	112.5	73%	0.734	62%	0.621	S	S	*	*			trans	-93.1	77.6	160.7	64.5	0	0	0	0	109.4
113	N	29.1	Very low	40.8	Very low	167 Å²	167	119.7 Å²	119.7	89%	0.893	66%	0.658	S	S	*	*	S	Bend	trans	-174.9	60.4	159.9	-95.6	-12.6	0	0	0	111.3	S111	S111-N113 PolarHBondContact O-N 3.42Å
114	S	34.8	Very low	38	Very low	112 Å²	112	127.8 Å²	127.8	78%	0.783	70%	0.701	S	S	*	*	S	Bend	trans	-165.9	144.7	149.2	51.4	0	0	0	0	108.5
115	S	30.9	Very low	35.7	Very low	97 Å²	97	128.5 Å²	128.5	68%	0.678	72%	0.718	S	S	*	*			trans	-48.7	143	-174.4	47.1	0	0	0	0	114.1	D117	S115-D117 PolarHBondContact O-N 3.29Å; S115-D117 VanDerWaalsContact O-N 3.17Å
116	F	29.6	Very low	34.2	Very low	204 Å²	204	128.2 Å²	128.2	90%	0.895	73%	0.727	S	S	*	*			trans	-47.5	111.7	160.3	-80.6	-103	0	0	0	110.5
117	D	33.5	Very low	33.1	Very low	130 Å²	130	135.6 Å²	135.6	70%	0.695	76%	0.76	S	S	*	*			trans	-117.6	115.7	155.8	-75.5	-34.3	0	0	0	107.1	S115 D119	S115-D117 PolarHBondContact O-N 3.29Å; S115-D117 VanDerWaalsContact O-N 3.17Å; D117-D119 PolarHBondContact O-N 3.38Å; D117-D119 VanDerWaalsContact O-N 3.14Å
118	E	37.6	Very low	32.5	Very low	184 Å²	184	136.3 Å²	136.3	86%	0.86	78%	0.777	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	7.8	-173.2	-101.4	-171.5	155.8	0	0	114.4
119	D	36.2	Very low	32.1	Very low	132 Å²	132	140.6 Å²	140.6	71%	0.706	79%	0.794	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103	4.3	-161.5	-73.7	-29.5	0	0	0	116.5	D117	D117-D119 PolarHBondContact O-N 3.38Å; D117-D119 VanDerWaalsContact O-N 3.14Å
120	T	37.7	Very low	32.1	Very low	131 Å²	131	143.3 Å²	143.3	80%	0.804	80%	0.802	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.5	-2.3	-177.2	-48.3	0	0	0	0	114.3
121	I	36.4	Very low	31.6	Very low	170 Å²	170	141.8 Å²	141.8	87%	0.872	80%	0.8	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.7	2.5	174.7	-65.2	-173.2	0	0	0	112.3
122	G	30.5	Very low	31.6	Very low	51 Å²	51	145.9 Å²	145.9	53%	0.526	81%	0.813	S	S	.	*			trans	-102.5	-5.5	-173.2	0	0	0	0	0	117.8	L124	G122-L124 PolarHBondContact O-N 2.73Å
123	L	30.5	Very low	31.6	Very low	155 Å²	155	149.6 Å²	149.6	81%	0.812	82%	0.818	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97	52.5	-169.7	-70.6	171.9	0	0	0	114.2
124	L	29.2	Very low	31.5	Very low	173 Å²	173	147.2 Å²	147.2	91%	0.906	81%	0.812	S	S	*	*	T	Hydrogen-bonded Turn	trans	-154.5	36.8	163.5	-89.6	-177.9	0	0	0	111.3	G122	G122-L124 PolarHBondContact O-N 2.73Å
125	S	25.9	Very low	31.2	Very low	103 Å²	103	150.3 Å²	150.3	72%	0.72	82%	0.816	S	S	*	*	S	Bend	trans	-170.3	98.3	171.6	-78.7	0	0	0	0	109.5
126	T	28.6	Very low	31	Very low	139 Å²	139	152.5 Å²	152.5	85%	0.853	82%	0.82	S	S	*	*			trans	155.9	105	145.7	52	0	0	0	0	110.7
127	E	34	Very low	30.8	Very low	206 Å²	206	147.6 Å²	147.6	96%	0.963	81%	0.811	S	S	*	*			trans	-162.9	127.5	135	-64.7	-160.6	160.5	0	0	102.9
128	G	31.9	Very low	30.5	Very low	74 Å²	74	146.5 Å²	146.5	76%	0.763	81%	0.814	S	S	*	*			cis	155.6	111.4	19.1	0	0	0	0	0	103.1	E130	G128-E130 PolarHBondContact O-N 2.93Å
129	E	27.1	Very low	30	Very low	201 Å²	201	146.4 Å²	146.4	94%	0.939	81%	0.813	S	S	*	*			trans	-65.8	122	177.1	-69.5	177.4	148.8	0	0	109.6
130	E	33.5	Very low	29.7	Very low	195 Å²	195	148.4 Å²	148.4	91%	0.911	82%	0.823	S	S	*	*			trans	-153.9	131.5	146.8	-114.4	177.6	-157.6	0	0	111.7	G128	G128-E130 PolarHBondContact O-N 2.93Å
131	N	27.3	Very low	29.2	Very low	156 Å²	156	146.9 Å²	146.9	83%	0.834	82%	0.818	S	S	*	*			trans	-51.6	138.9	-179.6	-74.5	-69.3	0	0	0	113.3
132	I	31.7	Very low	28.7	Very low	179 Å²	179	146.5 Å²	146.5	92%	0.918	82%	0.816	S	S	*	*			trans	-176.8	143.7	130.9	-86.5	146	0	0	0	109.7
133	Q	27.9	Very low	28.6	Very low	183 Å²	183	151.9 Å²	151.9	86%	0.855	83%	0.827	S	S	*	*			trans	-62	165.7	-169.6	-85.5	-174.1	-10.6	0	0	117.9
134	P	26.8	Very low	28.4	Very low	116 Å²	116	152.1 Å²	152.1	75%	0.753	83%	0.829	S	S	*	*			trans	-95.2	149.3	-154.6	36.9	-32	0	0	0	113.9
135	M	28	Very low	28.4	Very low	178 Å²	178	152.4 Å²	152.4	88%	0.877	83%	0.826	S	S	*	*			trans	-162.1	110.8	158.2	-98.4	-94.9	-173.9	0	0	111.5
136	N	26.5	Very low	28.4	Very low	143 Å²	143	152 Å²	152	77%	0.765	82%	0.816	S	S	*	*			trans	29.6	121	144.5	-78.3	-7.4	0	0	0	122.3
137	S	26.4	Very low	28.4	Very low	101 Å²	101	152.7 Å²	152.7	71%	0.706	80%	0.804	S	S	*	*				67.5	100.9	123.3	-43.5	0	0	0	0	117.9
138	S	27.5	Very low	28.2	Very low	107 Å²	107	148.9 Å²	148.9	75%	0.748	78%	0.784	S	S	*	*				165.6	139.3	109.8	39.6	0	0	0	0	111
139	E	26.8	Very low	28.1	Very low	181 Å²	181	155.3 Å²	155.3	85%	0.846	79%	0.787	S	S	*	*			trans	66.2	101.1	158.1	-65.1	173.2	174.5	0	0	117.9
140	L	28.7	Very low	28.2	Very low	175 Å²	175	153.3 Å²	153.3	92%	0.916	78%	0.775	S	S	*	*			trans	-163.8	139.4	135.6	-97.3	144.5	0	0	0	109.8
141	S	28.7	Very low	28.1	Very low	99 Å²	99	148.4 Å²	148.4	69%	0.692	76%	0.756	S	S	*	*			trans	-63.8	133.8	-158.5	49.3	0	0	0	0	116.2	Q143	S141-Q143 PolarHBondContact O-N 3.05Å
142	I	26.1	Very low	28.2	Very low	161 Å²	161	148.6 Å²	148.6	83%	0.826	75%	0.749	S	S	*	*			trans	-82.2	96.4	172	-59.8	168.8	0	0	0	108.9
143	Q	26.8	Very low	28	Very low	165 Å²	165	146.9 Å²	146.9	77%	0.771	74%	0.741	S	S	*	*			trans	-131	137.6	154.7	-82.6	171.6	-37.1	0	0	105.2	S141	S141-Q143 PolarHBondContact O-N 3.05Å
144	D	27.5	Very low	27.9	Very low	159 Å²	159	143.7 Å²	143.7	85%	0.85	74%	0.739	S	S	*	*	S	Bend	trans	84.3	55.9	177.4	-51.7	-27.2	0	0	0	119.1
145	Q	28	Very low	28.1	Very low	180 Å²	180	143.6 Å²	143.6	84%	0.841	74%	0.741	S	S	*	*			trans	-147	84.2	153.2	-74.6	-169.5	-14.3	0	0	110.7
146	N	26.4	Very low	28	Very low	94 Å²	94	140.6 Å²	140.6	50%	0.503	74%	0.737	S	S	.	*			trans	-157	57.3	171.3	-100.9	-24.6	0	0	0	112.7
147	Y	29.7	Very low	28.3	Very low	154 Å²	154	143.2 Å²	143.2	60%	0.604	74%	0.742	S	S	*	*			trans	-148.6	136.2	165.3	-80.2	-71.3	0	0	0	111.8	E402	Y147-E402 PolarHBondContact OH-OE1 3.49Å
148	F	29.8	Very low	28.5	Very low	125 Å²	125	143.1 Å²	143.1	55%	0.548	74%	0.741	S	S	.	*			trans	78.7	111.1	176	-66.5	-87.8	0	0	0	118.2
149	Y	29.8	Very low	28.4	Very low	209 Å²	209	145.2 Å²	145.2	82%	0.82	74%	0.744	S	S	*	*			trans	-158	114.5	132.4	-106.5	-76.6	0	0	0	110.1	N151	Y149-N151 WeakPolarHBondContact CD1-ND2 3.44Å; Y149-N151 PolarHBondContact O-N 3.3Å
150	F	29.3	Very low	28.5	Very low	159 Å²	159	145.2 Å²	145.2	70%	0.697	74%	0.741	S	S	*	*			trans	-76.4	101.1	162.1	-130.2	-87.4	0	0	0	106.3
151	N	30.6	Very low	28.3	Very low	93 Å²	93	143.7 Å²	143.7	50%	0.497	73%	0.732	S	S	.	*			trans	-139.2	97.2	170.9	-98.3	-35.5	0	0	0	110.2	Y149 L153	Y149-N151 WeakPolarHBondContact CD1-ND2 3.44Å; Y149-N151 PolarHBondContact O-N 3.3Å; N151-L153 HydrophobicContact CB-CD1 4.42Å; N151-L153 PolarHBondContact O-N 3.2Å
152	K	29.8	Very low	28.2	Very low	160 Å²	160	146.9 Å²	146.9	70%	0.696	74%	0.741	S	S	*	*			trans	-83.6	91	165.4	-148	174.4	-170	176.3	0	107.2	S154	K152-S154 PolarHBondContact O-N 2.96Å; K152-S154 VanDerWaalsContact O-N 3.13Å
153	L	27.4	Very low	28.1	Very low	143 Å²	143	148.4 Å²	148.4	75%	0.749	74%	0.744	S	S	*	*			trans	-66.9	108.1	176.3	-114.3	87.4	0	0	0	110	N151	N151-L153 HydrophobicContact CB-CD1 4.42Å; N151-L153 PolarHBondContact O-N 3.2Å
154	S	26.2	Very low	28.1	Very low	115 Å²	115	145.6 Å²	145.6	80%	0.804	74%	0.743	S	S	*	*			trans	-86.3	114	161.9	61.5	0	0	0	0	109.5	K152	K152-S154 PolarHBondContact O-N 2.96Å; K152-S154 VanDerWaalsContact O-N 3.13Å
155	S	29.9	Very low	28.1	Very low	115 Å²	115	146.9 Å²	146.9	80%	0.804	74%	0.741	S	S	*	*			trans	-122.1	114.8	161.3	78.7	0	0	0	0	110.1
156	S	26.6	Very low	28.1	Very low	114 Å²	114	147.4 Å²	147.4	80%	0.797	74%	0.743	S	S	*	*			trans	-75.1	124.7	172.1	-54.9	0	0	0	0	109.6
157	K	32	Very low	28.1	Very low	198 Å²	198	149.8 Å²	149.8	86%	0.861	76%	0.756	S	S	*	*			trans	-167.5	103.9	146.1	-104	163.5	-168.2	-177.6	0	111.7
158	S	30.1	Very low	28	Very low	100 Å²	100	151.6 Å²	151.6	70%	0.699	77%	0.77	S	S	*	*				70	104.4	130	-48.6	0	0	0	0	120.8
159	N	25.6	Very low	28	Very low	150 Å²	150	151.5 Å²	151.5	80%	0.802	77%	0.774	S	S	*	*				55.6	104.7	120.8	-77.3	-23.8	0	0	0	120
160	K	30	Very low	27.9	Very low	182 Å²	182	147.7 Å²	147.7	79%	0.791	77%	0.768	S	S	*	*				155.6	122.5	103.2	-93	173	178.6	-179.5	0	112.7
161	I	25.1	Very low	27.9	Very low	142 Å²	142	148 Å²	148	73%	0.728	77%	0.769	S	S	*	*			trans	54.5	105.4	132.9	-47.9	168.7	0	0	0	117.3
162	L	26.5	Very low	27.9	Very low	166 Å²	166	147.7 Å²	147.7	87%	0.869	77%	0.774	S	S	*	*				-177	119.5	116.8	-97.1	160.3	0	0	0	109.8
163	Q	23.5	Very low	28.1	Very low	193 Å²	193	143.9 Å²	143.9	90%	0.902	77%	0.766	S	S	*	*			trans	-64.2	125.7	167	-77.2	166.2	-23	0	0	109.8
164	S	26.7	Very low	28.1	Very low	106 Å²	106	143 Å²	143	74%	0.741	76%	0.761	S	S	*	*				179.7	132	129.3	55.2	0	0	0	0	111.8
165	K	27.9	Very low	28.3	Very low	186 Å²	186	145.1 Å²	145.1	81%	0.809	76%	0.756	S	S	*	*	S	Bend	trans	74.6	108	157.5	-65	178.6	176.5	-177.2	0	119.2
166	H	27.5	Very low	28.2	Very low	192 Å²	192	146.6 Å²	146.6	89%	0.889	75%	0.75	S	S	*	*			trans	39.3	89	151.1	-73.4	-76.8	0	0	0	117.2	E168	H166-E168 PolarHBondContact O-N 2.91Å
167	N	26.6	Very low	28.3	Very low	144 Å²	144	148 Å²	148	77%	0.77	75%	0.748	S	S	*	*			trans	-75.4	109.9	173.2	-75.6	-7.1	0	0	0	111.1	I169	N167-I169 HydrophobicContact CB-CG1 4.27Å
168	E	26.3	Very low	28	Very low	191 Å²	191	147.1 Å²	147.1	89%	0.893	75%	0.747	S	S	*	*			trans	-53.7	129	139.1	-75.8	174.9	145.2	0	0	108.3	H166	H166-E168 PolarHBondContact O-N 2.91Å
169	I	29.6	Very low	28.1	Very low	123 Å²	123	147.3 Å²	147.3	63%	0.631	75%	0.748	S	S	*	*			trans	-110.3	101.1	176.2	-59.3	176.5	0	0	0	107.3	N167 F171	N167-I169 HydrophobicContact CB-CG1 4.27Å; I169-F171 HydrophobicContact CG2-CD2 3.56Å; I169-F171 HydrophobicContact CG2-CE2 3.19Å; I169-F171 HydrophobicContact CG2-CG 4.37Å; I169-F171 HydrophobicContact CG2-CZ 3.73Å
170	D	28.7	Very low	28.1	Very low	130 Å²	130	148.8 Å²	148.8	70%	0.695	75%	0.752	S	S	*	*			trans	-73.7	124.7	165	177.4	11.8	0	0	0	109.5	S172	D170-S172 PolarHBondContact OD1-N 3.13Å; D170-S172 VanDerWaalsContact OD1-N 3.15Å; D170-S172 PolarHBondContact OD1-OG 3.45Å; D170-S172 VanDerWaalsContact OD1-OG 3.14Å
171	F	29.5	Very low	28.2	Very low	166 Å²	166	147.4 Å²	147.4	73%	0.728	75%	0.754	S	S	*	*			trans	-126.3	85.6	164.3	-75.6	-66.4	0	0	0	108.9	I169	I169-F171 HydrophobicContact CG2-CD2 3.56Å; I169-F171 HydrophobicContact CG2-CE2 3.19Å; I169-F171 HydrophobicContact CG2-CG 4.37Å; I169-F171 HydrophobicContact CG2-CZ 3.73Å
172	S	30.4	Very low	28.3	Very low	86 Å²	86	148.2 Å²	148.2	60%	0.601	76%	0.76	S	S	*	*			trans	-111.2	159.5	157.4	51.7	0	0	0	0	109.7	D170	D170-S172 PolarHBondContact OD1-N 3.13Å; D170-S172 VanDerWaalsContact OD1-N 3.15Å; D170-S172 PolarHBondContact OD1-OG 3.45Å; D170-S172 VanDerWaalsContact OD1-OG 3.14Å
173	P	34.6	Very low	28.5	Very low	80 Å²	80	146.1 Å²	146.1	52%	0.519	76%	0.759	S	S	.	*				-149.6	148.5	99.5	36.9	-17.7	0	0	0	117
174	I	27.8	Very low	28.7	Very low	125 Å²	125	145.3 Å²	145.3	64%	0.641	76%	0.757	S	S	*	*			trans	82.7	97.9	149.3	-54.1	145.3	0	0	0	118.4
175	F	30.2	Very low	28.9	Very low	159 Å²	159	148.9 Å²	148.9	70%	0.697	76%	0.762	S	S	*	*			trans	-134.6	106.2	134	-77.5	-79.5	0	0	0	107.8
176	H	27.7	Very low	29	Very low	146 Å²	146	148.2 Å²	148.2	68%	0.676	76%	0.759	S	S	*	*			trans	-81.6	130.3	170.7	-96.6	-60.5	0	0	0	109.4
177	N	27.9	Very low	29.3	Very low	143 Å²	143	147.3 Å²	147.3	77%	0.765	76%	0.759	S	S	*	*			trans	-159.6	108.6	133.4	-112.8	-5.8	0	0	0	108.6
178	E	25.9	Very low	29.4	Very low	180 Å²	180	149 Å²	149	84%	0.841	76%	0.759	S	S	*	*			trans	-77.3	125.7	164.9	-71	179	155.5	0	0	108.1
179	S	32.2	Very low	29.6	Very low	104 Å²	104	144.5 Å²	144.5	73%	0.727	75%	0.749	S	S	*	*			trans	-137.7	101.8	158.3	171.2	0	0	0	0	107.9
180	M	25.5	Very low	29.7	Very low	180 Å²	180	144 Å²	144	89%	0.887	75%	0.752	S	S	*	*			trans	-63	134.3	156.4	-75.2	-176.5	139.6	0	0	108.7
181	N	31.6	Very low	29.8	Very low	154 Å²	154	144.4 Å²	144.4	82%	0.824	76%	0.755	S	S	*	*			trans	-147.7	89.1	157	-99.5	-21.5	0	0	0	109.6
182	D	26.9	Very low	30	Very low	159 Å²	159	144.9 Å²	144.9	85%	0.85	76%	0.759	S	S	*	*			trans	-94.3	119.6	150.9	-108.3	-25.4	0	0	0	106.5
183	S	31.9	Very low	30.2	Very low	121 Å²	121	145.6 Å²	145.6	85%	0.846	76%	0.761	S	S	*	*			trans	167.7	114.6	141.6	-74.3	0	0	0	0	111.5
184	M	26.6	Very low	30.2	Very low	176 Å²	176	149 Å²	149	87%	0.867	78%	0.775	S	S	*	*			trans	-54.3	142.7	162.3	-68	159.7	74.2	0	0	111.4
185	E	32.7	Very low	30.6	Very low	181 Å²	181	150.3 Å²	150.3	85%	0.846	78%	0.783	S	S	*	*				-171.5	124.4	113.3	-104.4	-175.1	167	0	0	114
186	K	29.2	Very low	30.7	Very low	172 Å²	172	150.1 Å²	150.1	75%	0.748	79%	0.789	S	S	*	*			trans	-3	133.1	149.5	-69	163.4	177.4	167	0	117.3
187	I	33.1	Very low	31	Very low	174 Å²	174	146.9 Å²	146.9	89%	0.892	80%	0.796	S	S	*	*				-146.9	125.5	118	-88.5	137.5	0	0	0	108.8
188	K	28.8	Very low	31.2	Very low	178 Å²	178	147 Å²	147	77%	0.774	80%	0.801	S	S	*	*			trans	-76.5	146.6	169.7	-66.2	172.7	169.7	-178.3	0	109.4
189	S	31.6	Very low	31.6	Very low	97 Å²	97	142.1 Å²	142.1	68%	0.678	80%	0.799	S	S	*	*				156.7	122.1	106.4	-81.8	0	0	0	0	114.4
190	T	31.9	Very low	31.5	Very low	113 Å²	113	142 Å²	142	69%	0.693	80%	0.798	S	S	*	*				77.4	109.4	130	60.3	0	0	0	0	121.9
191	N	30.3	Very low	31.9	Very low	139 Å²	139	141.5 Å²	141.5	74%	0.743	80%	0.799	S	S	*	*				55.2	116.7	119	-55.2	-14.2	0	0	0	119.4
192	H	34.3	Very low	31.9	Very low	176 Å²	176	137.7 Å²	137.7	82%	0.815	80%	0.797	S	S	*	*				176.4	140.8	89.3	-115.5	-66.1	0	0	0	111.5
193	P	34.2	Very low	31.9	Very low	100 Å²	100	140.9 Å²	140.9	65%	0.649	80%	0.798	S	S	*	*			trans	-103.7	175.4	169	37.8	-28.9	0	0	0	112.7
194	N	34.1	Very low	31.9	Very low	152 Å²	152	142.9 Å²	142.9	81%	0.813	80%	0.799	S	S	*	*			trans	103.9	119.3	172.6	-51.5	-14.9	0	0	0	113.8
195	D	35.3	Very low	32	Very low	152 Å²	152	143 Å²	143	81%	0.813	79%	0.794	S	S	*	*				-178.6	159.6	88.6	-150.4	-1.6	0	0	0	111.2
196	D	32.2	Very low	32	Very low	155 Å²	155	142.5 Å²	142.5	83%	0.829	79%	0.792	S	S	*	*			trans	-68.6	161.9	-167.3	-65.1	-51.2	0	0	0	116.7
197	G	34.8	Very low	32.1	Very low	79 Å²	79	140.6 Å²	140.6	81%	0.814	80%	0.795	S	S	*	*			trans	-174	78.2	173.3	0	0	0	0	0	115.8
198	V	31.6	Very low	31.9	Very low	145 Å²	145	136.3 Å²	136.3	88%	0.879	79%	0.794	S	S	*	*			trans	-57.3	141.7	169.2	171.1	0	0	0	0	112.5
199	G	34.8	Very low	32	Very low	77 Å²	77	131.3 Å²	131.3	79%	0.794	79%	0.792	S	S	*	*			trans	-170.8	91.1	168.7	0	0	0	0	0	114.6
200	S	31.1	Very low	32.1	Very low	101 Å²	101	134.6 Å²	134.6	71%	0.706	80%	0.802	S	S	*	*			trans	-74.6	165.6	175.6	-53.8	0	0	0	0	114.9
201	N	32.2	Very low	32	Very low	171 Å²	171	137.8 Å²	137.8	91%	0.914	81%	0.809	S	S	*	*			trans	112.8	132.9	156.6	-62.7	-21.9	0	0	0	114.4
202	G	31.9	Very low	32.3	Very low	74 Å²	74	136.1 Å²	136.1	76%	0.763	81%	0.806	S	S	*	*			cis	-169.9	157.2	11.7	0	0	0	0	0	112.9
203	Y	27.4	Very low	32	Very low	225 Å²	225	133.4 Å²	133.4	88%	0.882	81%	0.807	S	S	*	*			trans	-67.6	146.6	174	-84.6	-101.2	0	0	0	112.6
204	L	32.6	Very low	31.8	Very low	164 Å²	164	132.9 Å²	132.9	86%	0.859	81%	0.811	S	S	*	*			trans	-134.7	110.5	152.5	-117.3	142	0	0	0	109.4
205	K	28.5	Very low	31.5	Very low	179 Å²	179	134.3 Å²	134.3	78%	0.778	82%	0.815	S	S	*	*			trans	-84.9	139.3	168.8	-88	176.5	169.3	177.5	0	109.6
206	Q	33	Very low	31.3	Very low	170 Å²	170	136.8 Å²	136.8	79%	0.794	82%	0.818	S	S	*	*			trans	-140.6	107.4	143.4	-69.9	-174.7	16.9	0	0	105.3
207	T	30.7	Very low	31.2	Very low	132 Å²	132	134 Å²	134	81%	0.81	81%	0.807	S	S	*	*				40.3	120.8	83.7	67.2	0	0	0	0	112
208	G	28.5	Very low	31	Very low	84 Å²	84	137.1 Å²	137.1	87%	0.866	80%	0.804	S	S	*	*			cis	157.9	142.3	11	0	0	0	0	0	105.7
209	G	31.3	Very low	31.1	Very low	72 Å²	72	133.8 Å²	133.8	74%	0.742	79%	0.786	S	S	*	*			trans	164.3	94.2	175.5	0	0	0	0	0	115.6
210	N	33.7	Very low	31.5	Very low	167 Å²	167	138.7 Å²	138.7	89%	0.893	79%	0.785	S	S	*	*			trans	48.3	115.7	144.5	-61.3	-8.5	0	0	0	121.9
211	E	30	Very low	32.5	Very low	179 Å²	179	141.5 Å²	141.5	84%	0.836	79%	0.787	S	S	*	*			trans	3	161.3	136.9	-85.2	-172.7	154.4	0	0	121.3
212	P	35.6	Very low	34.3	Very low	104 Å²	104	137.7 Å²	137.7	68%	0.675	77%	0.766	S	S	*	*			cis	-135.3	164.9	8.8	29	-6	0	0	0	116.4	A214	P212-A214 PolarHBondContact O-N 3.32Å
213	S	28.6	Very low	36.7	Very low	120 Å²	120	136.9 Å²	136.9	84%	0.839	74%	0.744	S	S	*	*			trans	-1.3	109.1	144.1	-47.5	0	0	0	0	117.5
214	A	31.2	Very low	39.7	Very low	88 Å²	88	127.1 Å²	127.1	73%	0.727	71%	0.71	S	S	*	*			trans	-142.9	103.3	156.3	0	0	0	0	0	109.4	P212 K216	P212-A214 PolarHBondContact O-N 3.32Å; A214-K216 PolarHBondContact O-N 2.71Å
215	M	26.8	Very low	42.5	Very low	183 Å²	183	119.3 Å²	119.3	90%	0.901	67%	0.669	S	S	*	*			trans	-46.8	124.8	159.9	-62.3	171.8	-162.9	0	0	109
216	K	31.1	Very low	45.6	Very low	203 Å²	203	110.9 Å²	110.9	88%	0.883	63%	0.633	S	S	*	*			trans	-115.2	88.9	155.2	-82.7	-175.3	177.2	179.2	0	107.4	A214	A214-K216 PolarHBondContact O-N 2.71Å
217	T	29.9	Very low	48.4	Very low	96 Å²	96	106.5 Å²	106.5	59%	0.589	61%	0.612	S	S	*	*			trans	-46.5	135.7	162.4	49.1	0	0	0	0	109.9
218	L	31	Very low	51.3	Low	145 Å²	145	102.9 Å²	102.9	76%	0.759	59%	0.588	S	S	*	*			trans	-35	138.7	161.3	-161.6	75.7	0	0	0	110.2	K220	L218-K220 PolarHBondContact O-N 3.07Å
219	P	33.2	Very low	54.4	Low	76 Å²	76	98.9 Å²	98.9	49%	0.494	55%	0.546	S	S	.	.			trans	-54.8	107.7	176.2	-19.2	29.8	0	0	0	109.1	H221	P219-H221 PolarHBondContact O-N 2.98Å; P219-H221 VanDerWaalsContact O-N 3.15Å
220	K	42.3	Very low	57.5	Low	180 Å²	180	97.9 Å²	97.9	78%	0.783	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	117.2	178.5	-73.7	-179.6	174.9	-178.8	0	107.8	L218	L218-K220 PolarHBondContact O-N 3.07Å
221	H	53.3	Low	60.3	Low	160 Å²	160	95.3 Å²	95.3	74%	0.741	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.6	68.7	175.8	-81.4	-87	0	0	0	117.7	P219	P219-H221 PolarHBondContact O-N 2.98Å; P219-H221 VanDerWaalsContact O-N 3.15Å
222	L	69.6	Low	63.3	Low	91 Å²	91	89.8 Å²	89.8	48%	0.476	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-68.4	125.6	137.1	-75.9	161.1	0	0	0	107.6	I106 W258	I106-L222 HydrophobicContact CB-CD1 4.13Å; I106-L222 HydrophobicContact CD1-CD1 4.03Å; I106-L222 HydrophobicContact CG1-CD1 3.66Å; I106-L222 HydrophobicContact CG2-CD1 3.82Å; L222-W258 HydrophobicContact CB-CZ2 4.09Å
223	L	82.9	Confident	66.1	Low	56 Å²	56	87.8 Å²	87.8	29%	0.293	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-64	140.6	-178.6	-60.5	169.9	0	0	0	109.6	E227 L228 W258	L223-E227 HydrophobicContact CB-CB 4.31Å; L223-E227 HydrophobicContact CB-CG 4.31Å; L223-E227 HydrophobicContact CD2-CG 4.01Å; L223-E227 WeakPolarHBondContact CD2-OE1 3.16Å; L223-E227 WeakPolarHBondContact CD2-OE2 3.49Å; L223-L228 HydrophobicContact CB-CD2 3.77Å; L223-L228 HydrophobicContact CB-CG 3.81Å; L223-L228 HydrophobicContact CD1-CD2 3.8Å; L223-L228 HydrophobicContact CG-CD2 4.37Å; L223-W258 WeakPolarHBondContact O-CZ2 3.46Å
224	A	89.4	Confident	69.3	Low	21 Å²	21	83.9 Å²	83.9	17%	0.174	46%	0.459	C	S	.	.	P	Polyproline II helix	trans	-64.1	156.1	177.2	0	0	0	0	0	110.9	S226 E227 L228 D261	A224-S226 VanDerWaalsContact C-N 3.28Å; A224-S226 PolarHBondContact O-N 3.16Å; A224-E227 HydrophobicContact CB-CB 4.42Å; A224-E227 WeakPolarHBondContact O-CB 3.46Å; A224-E227 PolarHBondContact O-N 3.33Å; A224-L228 PolarHBondContact O-N 3.45Å; A224-D261 HydrophobicContact CB-CB 4.17Å
225	P	92.7	Very high	72.3	Confident	0 Å²	0	80.3 Å²	80.3	0%	0	43%	0.427	C	S	.	.	H	α-helix	trans	-49.4	-46.4	179.6	-31.5	37.8	0	0	0	113.8	F79 F83 E227 L228 A229 W258 L262	F79-P225 HydrophobicContact CB-CB 3.92Å; F79-P225 HydrophobicContact CD1-CB 3.85Å; F79-P225 HydrophobicContact CD1-CG 4.25Å; F79-P225 HydrophobicContact CD2-CB 3.97Å; F79-P225 HydrophobicContact CD2-CG 3.78Å; F79-P225 HydrophobicContact CE1-CB 4.37Å; F79-P225 HydrophobicContact CE1-CG 4.36Å; F79-P225 HydrophobicContact CE2-CB 4.46Å; F79-P225 HydrophobicContact CE2-CG 3.9Å; F79-P225 HydrophobicContact CG-CB 3.62Å; F79-P225 HydrophobicContact CG-CG 3.96Å; F79-P225 HydrophobicContact CZ-CG 4.17Å; F83-P225 HydrophobicContact CE2-CB 3.96Å; F83-P225 WeakPolarHBondContact CE2-O 3.35Å; P225-E227 VanDerWaalsContact C-N 3.35Å; P225-L228 PolarHBondContact O-N 3.11Å; P225-A229 PolarHBondContact O-N 3.15Å; P225-A229 VanDerWaalsContact O-N 3.07Å; P225-W258 HydrophobicContact CG-CB 3.88Å; P225-W258 HydrophobicContact CG-CD2 3.82Å; P225-W258 HydrophobicContact CG-CE3 3.82Å; P225-W258 HydrophobicContact CG-CG 3.89Å; P225-L262 HydrophobicContact CB-CD2 3.77Å; P225-L262 HydrophobicContact CB-CG 4.29Å; P225-L262 HydrophobicContact CG-CD2 4.37Å; P225-L262 HydrophobicContact CG-CG 4.38Å
226	S	92.7	Very high	75.6	Confident	2 Å²	2	74.7 Å²	74.7	1%	0.014	41%	0.406	C	S	.	.	H	α-helix	trans	-65.5	-38.1	178.3	-63.7	0	0	0	0	112.1	A224 A229 L230 D261	A224-S226 VanDerWaalsContact C-N 3.28Å; A224-S226 PolarHBondContact O-N 3.16Å; S226-A229 PolarHBondContact O-N 2.83Å; S226-L230 WeakPolarHBondContact O-CB 3.48Å; S226-L230 WeakPolarHBondContact O-CD1 3.16Å; S226-L230 WeakPolarHBondContact O-CG 3.38Å; S226-L230 PolarHBondContact O-N 3.42Å; S226-D261 WeakPolarHBondContact CB-OD1 3.43Å; S226-D261 WeakPolarHBondContact CB-OD2 3.08Å; S226-D261 PolarHBondContact N-OD2 3.46Å; S226-D261 PolarHBondContact OG-OD1 3.13Å; S226-D261 PolarHBondContact OG-OD2 3.17Å
227	E	92	Very high	78.6	Confident	77 Å²	77	69.2 Å²	69.2	36%	0.36	39%	0.391	S	S	.	.	H	α-helix	trans	-67.8	-41	179	-171	173.6	-168.5	0	0	111.5	L223 A224 P225 L230 N231	L223-E227 HydrophobicContact CB-CB 4.31Å; L223-E227 HydrophobicContact CB-CG 4.31Å; L223-E227 HydrophobicContact CD2-CG 4.01Å; L223-E227 WeakPolarHBondContact CD2-OE1 3.16Å; L223-E227 WeakPolarHBondContact CD2-OE2 3.49Å; A224-E227 HydrophobicContact CB-CB 4.42Å; A224-E227 WeakPolarHBondContact O-CB 3.46Å; A224-E227 PolarHBondContact O-N 3.33Å; P225-E227 VanDerWaalsContact C-N 3.35Å; E227-L230 PolarHBondContact O-N 3.28Å; E227-N231 WeakPolarHBondContact O-CB 3.35Å; E227-N231 PolarHBondContact O-N 3.19Å; E227-N231 PolarHBondContact O-ND2 3.46Å
228	L	91.4	Very high	81.6	Confident	56 Å²	56	71.5 Å²	71.5	29%	0.293	40%	0.4	S	S	.	.	H	α-helix	trans	-58	-49.5	171.3	-70.6	170.4	0	0	0	111.2	L223 A224 P225 L230 N231 S232	L223-L228 HydrophobicContact CB-CD2 3.77Å; L223-L228 HydrophobicContact CB-CG 3.81Å; L223-L228 HydrophobicContact CD1-CD2 3.8Å; L223-L228 HydrophobicContact CG-CD2 4.37Å; A224-L228 PolarHBondContact O-N 3.45Å; P225-L228 PolarHBondContact O-N 3.11Å; L228-L230 VanDerWaalsContact C-N 3.32Å; L228-L230 PolarHBondContact O-N 3.31Å; L228-N231 PolarHBondContact O-N 3.36Å; L228-S232 WeakPolarHBondContact O-CB 3.33Å; L228-S232 PolarHBondContact O-N 2.92Å; L228-S232 PolarHBondContact O-OG 3.48Å
229	A	93.9	Very high	84.7	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-66.4	-32.4	-179.4	0	0	0	0	0	113.4	F83 P225 S226 G233 I234 I235	F83-A229 HydrophobicContact CB-CB 4Å; F83-A229 HydrophobicContact CD1-CB 4.33Å; F83-A229 HydrophobicContact CD2-CB 3.34Å; F83-A229 HydrophobicContact CE2-CB 3.81Å; F83-A229 HydrophobicContact CG-CB 3.64Å; F83-A229 HydrophobicContact CZ-CB 4.46Å; P225-A229 PolarHBondContact O-N 3.15Å; P225-A229 VanDerWaalsContact O-N 3.07Å; S226-A229 PolarHBondContact O-N 2.83Å; A229-G233 PolarHBondContact O-N 3.33Å; A229-I234 HydrophobicContact CB-CB 4.48Å; A229-I234 PolarHBondContact O-N 3.02Å; A229-I235 HydrophobicContact CB-CD1 3.81Å; A229-I235 HydrophobicContact CB-CG1 3.8Å; A229-I235 PolarHBondContact O-N 3.26Å
230	L	95.1	Very high	87.7	Confident	52 Å²	52	66.8 Å²	66.8	27%	0.272	37%	0.371	S	S	.	.	H	α-helix	trans	-67.5	-48.4	173.3	-75.9	166.7	0	0	0	111.3	S226 E227 L228 S232 G233 I235 P237	S226-L230 WeakPolarHBondContact O-CB 3.48Å; S226-L230 WeakPolarHBondContact O-CD1 3.16Å; S226-L230 WeakPolarHBondContact O-CG 3.38Å; S226-L230 PolarHBondContact O-N 3.42Å; E227-L230 PolarHBondContact O-N 3.28Å; L228-L230 VanDerWaalsContact C-N 3.32Å; L228-L230 PolarHBondContact O-N 3.31Å; L230-S232 PolarHBondContact O-N 3.37Å; L230-G233 PolarHBondContact O-N 3.5Å; L230-I235 HydrophobicContact CD2-CD1 4.33Å; L230-I235 HydrophobicContact CD2-CG1 3.87Å; L230-I235 HydrophobicContact CG-CD1 4.12Å; L230-I235 HydrophobicContact CG-CG1 3.95Å; L230-P237 HydrophobicContact CD2-CB 4.38Å; L230-P237 HydrophobicContact CD2-CG 4.08Å
231	N	93.7	Very high	90.3	Very high	113 Å²	113	58.8 Å²	58.8	60%	0.604	34%	0.336	S	S	*	.	H	α-helix	trans	-63.7	-31.9	-179.4	-70.9	-14.9	0	0	0	112	E227 L228 G233	E227-N231 WeakPolarHBondContact O-CB 3.35Å; E227-N231 PolarHBondContact O-N 3.19Å; E227-N231 PolarHBondContact O-ND2 3.46Å; L228-N231 PolarHBondContact O-N 3.36Å; N231-G233 VanDerWaalsContact C-N 3.29Å
232	S	92.7	Very high	92.4	Very high	62 Å²	62	54.2 Å²	54.2	43%	0.434	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	0.2	174.5	-60.6	0	0	0	0	114.3	E80 L228 L230 I234	E80-S232 WeakPolarHBondContact OE1-CB 3.32Å; E80-S232 PolarHBondContact OE1-OG 3.09Å; L228-S232 WeakPolarHBondContact O-CB 3.33Å; L228-S232 PolarHBondContact O-N 2.92Å; L228-S232 PolarHBondContact O-OG 3.48Å; L230-S232 PolarHBondContact O-N 3.37Å; S232-I234 PolarHBondContact O-N 3.04Å
233	G	94.3	Very high	93.7	Very high	63 Å²	63	52.5 Å²	52.5	65%	0.649	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.6	18.3	178.3	0	0	0	0	0	114.6	A229 L230 N231	A229-G233 PolarHBondContact O-N 3.33Å; L230-G233 PolarHBondContact O-N 3.5Å; N231-G233 VanDerWaalsContact C-N 3.29Å
234	I	95	Very high	94.5	Very high	38 Å²	38	50 Å²	50	20%	0.195	30%	0.302	C	S	.	.	S	Bend	trans	-75.7	-38.1	-179.4	-61.8	171.6	0	0	0	110.5	E80 F83 K84 A229 S232	E80-I234 HydrophobicContact CB-CD1 3.4Å; E80-I234 VanDerWaalsContact CB-CD1 3.4Å; E80-I234 HydrophobicContact CG-CD1 3.77Å; F83-I234 HydrophobicContact CB-CG2 3.85Å; K84-I234 HydrophobicContact CG-CD1 4.4Å; K84-I234 HydrophobicContact CG-CG2 4.08Å; A229-I234 HydrophobicContact CB-CB 4.48Å; A229-I234 PolarHBondContact O-N 3.02Å; S232-I234 PolarHBondContact O-N 3.04Å
235	I	95.9	Very high	94.9	Very high	12 Å²	12	50.6 Å²	50.6	6%	0.062	31%	0.306	C	S	.	.	S	Bend	trans	-122.4	155.2	177.4	63.5	175	0	0	0	110.7	F83 A229 L230 K239 F241	F83-I235 HydrophobicContact CB-CG2 4.22Å; F83-I235 HydrophobicContact CD1-CD1 4.14Å; F83-I235 HydrophobicContact CD1-CG2 3.81Å; F83-I235 HydrophobicContact CE1-CD1 3.95Å; F83-I235 HydrophobicContact CG-CG2 4.27Å; F83-I235 HydrophobicContact CZ-CD1 4.39Å; A229-I235 HydrophobicContact CB-CD1 3.81Å; A229-I235 HydrophobicContact CB-CG1 3.8Å; A229-I235 PolarHBondContact O-N 3.26Å; L230-I235 HydrophobicContact CD2-CD1 4.33Å; L230-I235 HydrophobicContact CD2-CG1 3.87Å; L230-I235 HydrophobicContact CG-CD1 4.12Å; L230-I235 HydrophobicContact CG-CG1 3.95Å; I235-K239 HydrophobicContact CB-CB 4.16Å; I235-K239 HydrophobicContact CB-CG 4.46Å; I235-K239 HydrophobicContact CG2-CG 4.41Å; I235-F241 HydrophobicContact CG2-CZ 4.11Å
236	S	95.2	Very high	95.2	Very high	66 Å²	66	52 Å²	52	46%	0.462	31%	0.314	S	S	.	.			trans	-90.8	159	166.6	63.3	0	0	0	0	110.5	N238 K239	S236-N238 PolarHBondContact O-N 3.21Å; S236-K239 WeakPolarHBondContact O-CB 3.33Å; S236-K239 PolarHBondContact O-N 3.26Å
237	P	93.2	Very high	95.5	Very high	87 Å²	87	52.3 Å²	52.3	57%	0.565	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-28.7	-177.2	-30.2	35.9	0	0	0	115.7	L230 R265	L230-P237 HydrophobicContact CD2-CB 4.38Å; L230-P237 HydrophobicContact CD2-CG 4.08Å; P237-R265 PolarHBondContact O-NH1 3.05Å; P237-R265 PolarHBondContact O-NH2 2.79Å
238	N	93.7	Very high	95.8	Very high	145 Å²	145	49.1 Å²	49.1	78%	0.775	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.1	7.2	-177.4	-59.8	-27.4	0	0	0	113.2	S236 V240	S236-N238 PolarHBondContact O-N 3.21Å; N238-V240 PolarHBondContact O-N 3.34Å
239	K	96.1	Very high	96.1	Very high	58 Å²	58	46.5 Å²	46.5	25%	0.252	29%	0.288	S	S	.	.			trans	-67.3	132.2	177.2	-173.9	69.1	171.9	-179.3	0	108.7	E90 I235 S236 F241 R265	E90-K239 IonicContact OE1-NZ 2.88Å; E90-K239 PolarHBondContact OE1-NZ 3.15Å; I235-K239 HydrophobicContact CB-CB 4.16Å; I235-K239 HydrophobicContact CB-CG 4.46Å; I235-K239 HydrophobicContact CG2-CG 4.41Å; S236-K239 WeakPolarHBondContact O-CB 3.33Å; S236-K239 PolarHBondContact O-N 3.26Å; K239-F241 HydrophobicContact CG-CE1 4.12Å; K239-F241 HydrophobicContact CG-CZ 4.02Å; K239-R265 WeakPolarHBondContact O-CD 3.38Å
240	V	97	Very high	96.3	Very high	63 Å²	63	47.9 Å²	47.9	38%	0.382	30%	0.296	S	S	.	.			trans	-134.1	161.8	175.6	-65.3	0	0	0	0	109	N238 P242 R265 P267	N238-V240 PolarHBondContact O-N 3.34Å; V240-P242 WeakPolarHBondContact O-CD 3.36Å; V240-R265 CarbonylContact C-O 3.42Å; V240-R265 WeakPolarHBondContact CA-O 3.38Å; V240-P267 HydrophobicContact CB-CG 4.41Å
241	F	97.4	Very high	96.3	Very high	12 Å²	12	46.5 Å²	46.5	5%	0.053	29%	0.291	C	S	.	.			trans	-121.9	79.2	-177.3	-50.2	-77.4	0	0	0	109.9	F83 L86 I235 K239 C243 L244 R265 L266	F83-F241 AromaticContact CD1-CE2 3.79Å; F83-F241 HydrophobicContact CD1-CE2 3.79Å; F83-F241 AromaticContact CD1-CZ 3.93Å; F83-F241 HydrophobicContact CD1-CZ 3.93Å; F83-F241 AromaticContact CE1-CE2 3.85Å; F83-F241 HydrophobicContact CE1-CE2 3.85Å; F83-F241 HydrophobicContact CE1-CZ 4.43Å; L86-F241 HydrophobicContact CB-CD1 3.58Å; L86-F241 HydrophobicContact CB-CD2 4.19Å; L86-F241 HydrophobicContact CB-CE1 3.44Å; L86-F241 VanDerWaalsContact CB-CE1 3.44Å; L86-F241 HydrophobicContact CB-CE2 4.08Å; L86-F241 HydrophobicContact CB-CG 3.95Å; L86-F241 HydrophobicContact CB-CZ 3.7Å; L86-F241 HydrophobicContact CD1-CD2 4.01Å; L86-F241 HydrophobicContact CD1-CE2 4.03Å; L86-F241 HydrophobicContact CD1-CG 4.41Å; L86-F241 HydrophobicContact CD1-CZ 4.43Å; L86-F241 WeakPolarHBondContact O-CD1 3.28Å; L86-F241 WeakPolarHBondContact O-CE1 3.37Å; I235-F241 HydrophobicContact CG2-CZ 4.11Å; K239-F241 HydrophobicContact CG-CE1 4.12Å; K239-F241 HydrophobicContact CG-CZ 4.02Å; F241-C243 VanDerWaalsContact C-N 3.27Å; F241-C243 PolarHBondContact O-N 2.95Å; F241-L244 PolarHBondContact O-N 3.04Å; F241-R265 HydrophobicContact CD2-CB 4.05Å; F241-R265 HydrophobicContact CE2-CB 4.19Å; F241-R265 PolarHBondContact N-O 3.17Å; F241-L266 HydrophobicContact CB-CD2 3.88Å; F241-L266 HydrophobicContact CD2-CD2 4.02Å; F241-L266 HydrophobicContact CG-CD2 4.4Å
242	P	96.8	Very high	96.4	Very high	64 Å²	64	41.1 Å²	41.1	42%	0.416	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-13.4	-170.3	31.2	-37	0	0	0	114	V240 P267 N268	V240-P242 WeakPolarHBondContact O-CD 3.36Å; P242-P267 HydrophobicContact CB-CG 4.31Å; P242-N268 WeakPolarHBondContact O-CB 3.36Å; P242-N268 PolarHBondContact O-ND2 3.09Å
243	C	97.7	Very high	96.5	Very high	55 Å²	55	42.6 Å²	42.6	37%	0.372	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-25.6	178.7	-69.1	0	0	0	0	112.8	L92 E93 F241 S245	L92-C243 CarbonylContact O-C 3.47Å; L92-C243 WeakPolarHBondContact O-CB 3.47Å; E93-C243 WeakPolarHBondContact CA-O 3.35Å; F241-C243 VanDerWaalsContact C-N 3.27Å; F241-C243 PolarHBondContact O-N 2.95Å; C243-S245 PolarHBondContact O-N 3.14Å
244	L	98.2	Very high	96.5	Very high	3 Å²	3	39.6 Å²	39.6	2%	0.016	23%	0.228	C	C	.	.			trans	-74	116.8	-175.6	-163	78.4	0	0	0	110	L86 L92 L95 F241 L247 L266 L269	L86-L244 HydrophobicContact CD2-CD1 4.44Å; L86-L244 HydrophobicContact CD2-CD2 4.07Å; L92-L244 HydrophobicContact CD2-CD1 4.23Å; L92-L244 HydrophobicContact CG-CD1 4.2Å; L92-L244 WeakPolarHBondContact O-CA 3.49Å; L92-L244 PolarHBondContact O-N 2.76Å; L95-L244 HydrophobicContact CB-CD1 3.84Å; F241-L244 PolarHBondContact O-N 3.04Å; L244-L247 HydrophobicContact CD2-CB 4.41Å; L244-L266 HydrophobicContact CB-CD2 4.29Å; L244-L266 HydrophobicContact CD2-CD1 4.09Å; L244-L266 HydrophobicContact CD2-CD2 3.72Å; L244-L269 HydrophobicContact CD2-CD1 4.26Å; L244-L269 HydrophobicContact CG-CD1 4.3Å
245	S	98.3	Very high	96.4	Very high	35 Å²	35	39.1 Å²	39.1	25%	0.245	23%	0.227	C	C	.	.			trans	-109.8	-26.6	178.2	67.7	0	0	0	0	112.5	E93 C243 L269 T270 D271	E93-S245 PolarHBondContact O-N 3.19Å; E93-S245 PolarHBondContact O-OG 3.28Å; C243-S245 PolarHBondContact O-N 3.14Å; S245-L269 WeakPolarHBondContact O-CD1 3.13Å; S245-T270 PolarHBondContact O-N 3.45Å; S245-T270 PolarHBondContact O-OG1 3.42Å; S245-T270 VanDerWaalsContact O-OG1 3.05Å; S245-D271 PolarHBondContact O-N 3.31Å
246	V	98.5	Very high	96.2	Very high	28 Å²	28	39.3 Å²	39.3	17%	0.17	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	128.7	179.8	-174.8	0	0	0	0	110.8	E93 S94 L95 D271	E93-V246 PolarHBondContact O-N 3.14Å; S94-V246 WeakPolarHBondContact CA-O 3.48Å; L95-V246 PolarHBondContact N-O 2.86Å; V246-D271 WeakPolarHBondContact CA-O 3.49Å; V246-D271 HydrophobicContact CB-CB 4.48Å; V246-D271 HydrophobicContact CG1-CB 4.19Å; V246-D271 HydrophobicContact CG2-CB 4.12Å
247	L	98.6	Very high	96	Very high	10 Å²	10	41 Å²	41	5%	0.052	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	125.2	174.6	178	61.9	0	0	0	110	L95 L97 L244 L249 L266 L269 D271 L272 H273	L95-L247 HydrophobicContact CB-CD1 4.4Å; L95-L247 HydrophobicContact CG-CD1 4.49Å; L97-L247 HydrophobicContact CD1-CD1 4.35Å; L244-L247 HydrophobicContact CD2-CB 4.41Å; L247-L249 HydrophobicContact CD1-CD2 4.4Å; L247-L249 HydrophobicContact CD1-CG 4.3Å; L247-L249 HydrophobicContact CD2-CD1 3.93Å; L247-L249 HydrophobicContact CD2-CG 4.26Å; L247-L249 HydrophobicContact CG-CD1 4.25Å; L247-L249 HydrophobicContact CG-CG 4.04Å; L247-L266 HydrophobicContact CD2-CD1 3.78Å; L247-L269 HydrophobicContact CB-CD1 3.73Å; L247-L269 HydrophobicContact CB-CD2 4.12Å; L247-D271 PolarHBondContact N-O 2.96Å; L247-L272 HydrophobicContact CB-CD1 4.44Å; L247-L272 HydrophobicContact CD2-CD1 4.41Å; L247-L272 HydrophobicContact CG-CD1 4.45Å; L247-L272 WeakPolarHBondContact O-CA 3.41Å; L247-H273 PolarHBondContact O-N 3.49Å
248	A	98.5	Very high	96.1	Very high	9 Å²	9	37.9 Å²	37.9	7%	0.074	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	122.7	173.6	0	0	0	0	0	111.6	L95 N96 L97 S98 H273	L95-A248 PolarHBondContact O-N 2.81Å; N96-A248 HydrophobicContact CB-CB 4.27Å; N96-A248 WeakPolarHBondContact OD1-CB 3.46Å; L97-A248 WeakPolarHBondContact CA-O 3.37Å; L97-A248 PolarHBondContact N-O 2.83Å; S98-A248 PolarHBondContact N-O 2.97Å; A248-H273 HydrophobicContact CB-CB 3.86Å
249	L	98.1	Very high	96.2	Very high	1 Å²	1	31 Å²	31	1%	0.005	17%	0.171	C	C	.	.			trans	-126.5	28.5	-178.9	-66.5	172.4	0	0	0	110.8	L97 L102 L247 T252 V259 L262 H273 V274 N277	L97-L249 HydrophobicContact CB-CD2 4.14Å; L97-L249 HydrophobicContact CD1-CD2 4.05Å; L102-L249 HydrophobicContact CD1-CD2 4.19Å; L247-L249 HydrophobicContact CD1-CD2 4.4Å; L247-L249 HydrophobicContact CD1-CG 4.3Å; L247-L249 HydrophobicContact CD2-CD1 3.93Å; L247-L249 HydrophobicContact CD2-CG 4.26Å; L247-L249 HydrophobicContact CG-CD1 4.25Å; L247-L249 HydrophobicContact CG-CG 4.04Å; L249-T252 HydrophobicContact CB-CG2 4.33Å; L249-T252 HydrophobicContact CD2-CG2 4.45Å; L249-T252 WeakPolarHBondContact O-CG2 3.49Å; L249-T252 PolarHBondContact O-OG1 3.44Å; L249-V259 HydrophobicContact CD1-CG2 4.37Å; L249-L262 HydrophobicContact CD1-CD1 4.18Å; L249-H273 CarbonylContact C-O 3.55Å; L249-H273 WeakPolarHBondContact CA-O 3.32Å; L249-H273 PolarHBondContact N-O 3.19Å; L249-V274 HydrophobicContact CB-CG1 4.29Å; L249-N277 PolarHBondContact O-ND2 3.15Å; L249-N277 PolarHBondContact O-OD1 2.93Å
250	N	97.5	Very high	96.2	Very high	29 Å²	29	29.1 Å²	29.1	16%	0.155	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	139.9	-178.8	-56	-44.5	0	0	0	110.8	S98 Q99 T252 H273 V274 A275	S98-N250 CarbonylContact C-O 3.24Å; S98-N250 WeakPolarHBondContact CA-O 3.38Å; S98-N250 WeakPolarHBondContact CB-O 3.38Å; S98-N250 PolarHBondContact OG-N 3.01Å; S98-N250 PolarHBondContact OG-ND2 3.02Å; Q99-N250 PolarHBondContact N-O 2.94Å; N250-T252 PolarHBondContact O-N 2.83Å; N250-H273 WeakPolarHBondContact OD1-CB 3.41Å; N250-H273 PolarHBondContact OD1-O 2.86Å; N250-V274 PolarHBondContact OD1-N 3.37Å; N250-V274 VanDerWaalsContact OD1-N 3.07Å; N250-A275 CarbonylContact C-O 3.56Å; N250-A275 WeakPolarHBondContact CA-O 3.37Å; N250-A275 HydrophobicContact CB-CB 4.28Å; N250-A275 WeakPolarHBondContact OD1-CB 3.21Å; N250-A275 PolarHBondContact OD1-N 3.04Å
251	S	96.6	Very high	96.1	Very high	24 Å²	24	27.7 Å²	27.7	17%	0.168	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	35.8	177.8	-57.2	0	0	0	0	114.1	A275 R276	S251-A275 PolarHBondContact N-O 3.2Å; S251-R276 WeakPolarHBondContact CA-O 3.41Å; S251-R276 WeakPolarHBondContact OG-CB 3.27Å
252	T	96	Very high	96	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.154	C	C	.	.	S	Bend	trans	-100.6	-13.2	176.6	60.7	0	0	0	0	113	L97 N100 L102 G103 L249 N250 V254 N277	L97-T252 WeakPolarHBondContact O-CG2 3.38Å; N100-T252 WeakPolarHBondContact O-CA 3.46Å; N100-T252 WeakPolarHBondContact O-CB 3.34Å; L102-T252 HydrophobicContact CD1-CG2 4.32Å; G103-T252 WeakPolarHBondContact CA-O 3.4Å; G103-T252 PolarHBondContact N-O 3.43Å; L249-T252 HydrophobicContact CB-CG2 4.33Å; L249-T252 HydrophobicContact CD2-CG2 4.45Å; L249-T252 WeakPolarHBondContact O-CG2 3.49Å; L249-T252 PolarHBondContact O-OG1 3.44Å; N250-T252 PolarHBondContact O-N 2.83Å; T252-V254 PolarHBondContact O-N 3.12Å; T252-V254 VanDerWaalsContact OG1-CG2 3.27Å; T252-V254 WeakPolarHBondContact OG1-CG2 3.47Å; T252-N277 PolarHBondContact N-OD1 2.83Å; T252-N277 PolarHBondContact OG1-OD1 3.26Å
253	Y	93.7	Very high	96	Very high	92 Å²	92	24.7 Å²	24.7	36%	0.361	14%	0.135	S	C	.	.			trans	58.5	22.4	-174.6	-66	-102.1	0	0	0	113.3	G103 Y104 P255 N277	G103-Y253 WeakPolarHBondContact CA-O 3.34Å; Y104-Y253 AromaticContact CD2-CD2 3.96Å; Y104-Y253 HydrophobicContact CD2-CD2 3.96Å; Y104-Y253 HydrophobicContact CD2-CG 4.36Å; Y104-Y253 AromaticContact CE1-CD2 3.98Å; Y104-Y253 HydrophobicContact CE1-CD2 3.98Å; Y104-Y253 HydrophobicContact CE1-CE2 4.01Å; Y104-Y253 HydrophobicContact CE1-CG 4.35Å; Y104-Y253 AromaticContact CE2-CD2 3.23Å; Y104-Y253 HydrophobicContact CE2-CD2 3.23Å; Y104-Y253 AromaticContact CE2-CE2 3.71Å; Y104-Y253 HydrophobicContact CE2-CE2 3.71Å; Y104-Y253 HydrophobicContact CE2-CG 4.03Å; Y104-Y253 AromaticContact CZ-CD2 3.27Å; Y104-Y253 AromaticContact CZ-CE2 3.27Å; Y104-Y253 WeakPolarHBondContact OH-CD2 3.29Å; Y104-Y253 WeakPolarHBondContact OH-CE2 3.42Å; Y253-P255 WeakPolarHBondContact O-CD 3.45Å; Y253-N277 WeakPolarHBondContact CA-OD1 3.46Å; Y253-N277 PolarHBondContact N-OD1 2.82Å
254	V	93.8	Very high	95.9	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.006	14%	0.142	C	C	.	.			trans	-69.3	122.3	178.2	172.6	0	0	0	0	109.1	F79 L102 T252 W258 V259 Y279	F79-V254 HydrophobicContact CE2-CG1 4.45Å; F79-V254 HydrophobicContact CE2-CG2 4.05Å; F79-V254 HydrophobicContact CZ-CG1 4.02Å; F79-V254 HydrophobicContact CZ-CG2 3.71Å; L102-V254 HydrophobicContact CB-CG2 3.65Å; T252-V254 PolarHBondContact O-N 3.12Å; T252-V254 VanDerWaalsContact OG1-CG2 3.27Å; T252-V254 WeakPolarHBondContact OG1-CG2 3.47Å; V254-W258 HydrophobicContact CG1-CB 3.72Å; V254-W258 HydrophobicContact CG1-CE3 4.38Å; V254-V259 HydrophobicContact CG1-CG2 4.02Å; V254-Y279 WeakPolarHBondContact O-CE1 3.25Å; V254-Y279 PolarHBondContact O-OH 2.97Å
255	P	93	Very high	95.8	Very high	28 Å²	28	30.4 Å²	30.4	18%	0.182	15%	0.149	C	C	.	.			trans	-58.1	151.4	177.8	-27.8	37.1	0	0	0	113.4	I106 Y253 N257 W258 V259	I106-P255 HydrophobicContact CD1-CG 3.61Å; Y253-P255 WeakPolarHBondContact O-CD 3.45Å; P255-N257 VanDerWaalsContact C-N 3.33Å; P255-N257 WeakPolarHBondContact CB-OD1 3.29Å; P255-N257 PolarHBondContact O-N 2.98Å; P255-W258 WeakPolarHBondContact O-CB 3.47Å; P255-W258 PolarHBondContact O-N 2.98Å; P255-V259 PolarHBondContact O-N 3.44Å
256	W	93.2	Very high	95.7	Very high	16 Å²	16	29.1 Å²	29.1	6%	0.061	14%	0.14	C	C	.	.	H	α-helix	trans	-63	-38.9	-173.8	-173.2	-110.3	0	0	0	112.9	W258 V259 I260 L272 V274 Y279 L309 Y311 L325 F329	W256-W258 PolarHBondContact O-N 2.86Å; W256-V259 HydrophobicContact CE3-CB 4.23Å; W256-V259 HydrophobicContact CE3-CG1 4.44Å; W256-V259 HydrophobicContact CE3-CG2 4.27Å; W256-V259 HydrophobicContact CZ3-CB 4.43Å; W256-V259 HydrophobicContact CZ3-CG1 4.15Å; W256-V259 WeakPolarHBondContact O-CA 3.38Å; W256-V259 WeakPolarHBondContact O-CB 3.44Å; W256-V259 PolarHBondContact O-N 2.97Å; W256-I260 HydrophobicContact CZ2-CD1 4.36Å; W256-I260 WeakPolarHBondContact O-CG1 3.42Å; W256-I260 PolarHBondContact O-N 2.76Å; W256-L272 HydrophobicContact CH2-CD2 4.46Å; W256-V274 HydrophobicContact CZ3-CG2 4.1Å; W256-Y279 HydrophobicContact CB-CD1 4.04Å; W256-Y279 HydrophobicContact CB-CE1 3.96Å; W256-Y279 HydrophobicContact CE3-CD1 4.49Å; W256-Y279 HydrophobicContact CE3-CD2 4.38Å; W256-Y279 HydrophobicContact CE3-CE1 4.1Å; W256-Y279 AromaticContact CE3-CE2 3.9Å; W256-Y279 HydrophobicContact CE3-CE2 3.9Å; W256-Y279 AromaticContact CE3-CZ 3.78Å; W256-Y279 HydrophobicContact CZ3-CE2 4.23Å; W256-L309 HydrophobicContact CH2-CD1 4.43Å; W256-Y311 HydrophobicContact CE3-CE2 4.17Å; W256-Y311 AromaticContact CH2-CE2 3.72Å; W256-Y311 HydrophobicContact CH2-CE2 3.72Å; W256-Y311 AromaticContact CZ3-CE2 3.52Å; W256-Y311 HydrophobicContact CZ3-CE2 3.52Å; W256-L325 HydrophobicContact CB-CD2 4.15Å; W256-L325 HydrophobicContact CD2-CD2 3.66Å; W256-L325 HydrophobicContact CE3-CD2 4.46Å; W256-L325 HydrophobicContact CG-CD2 3.46Å; W256-L325 VanDerWaalsContact CG-CD2 3.46Å; W256-L325 HydrophobicContact CZ2-CB 4.2Å; W256-L325 WeakPolarHBondContact CZ2-O 3.36Å; W256-F329 AromaticContact CH2-CE2 3.95Å; W256-F329 HydrophobicContact CH2-CE2 3.95Å; W256-F329 AromaticContact CH2-CZ 3.97Å; W256-F329 HydrophobicContact CH2-CZ 3.97Å; W256-F329 AromaticContact CZ2-CE2 3.72Å; W256-F329 HydrophobicContact CZ2-CE2 3.72Å; W256-F329 AromaticContact CZ2-CZ 3.74Å; W256-F329 HydrophobicContact CZ2-CZ 3.74Å
257	N	91.1	Very high	95.6	Very high	101 Å²	101	30.4 Å²	30.4	54%	0.54	15%	0.149	S	C	.	.	H	α-helix	trans	-61.3	-30.3	175.8	66.2	-39.3	0	0	0	113	P255 I260 D261	P255-N257 VanDerWaalsContact C-N 3.33Å; P255-N257 WeakPolarHBondContact CB-OD1 3.29Å; P255-N257 PolarHBondContact O-N 2.98Å; N257-I260 PolarHBondContact O-N 2.83Å; N257-D261 PolarHBondContact O-N 3.42Å
258	W	94.5	Very high	95.5	Very high	22 Å²	22	33.4 Å²	33.4	8%	0.083	17%	0.165	C	C	.	.	H	α-helix	trans	-73.5	-34.3	173.4	-75.5	16.4	0	0	0	112.1	F79 I106 L222 L223 P225 V254 P255 W256 I260 D261 L262	F79-W258 HydrophobicContact CD2-CE3 4.15Å; F79-W258 AromaticContact CD2-CZ3 3.98Å; F79-W258 HydrophobicContact CD2-CZ3 3.98Å; F79-W258 AromaticContact CE2-CE3 3.63Å; F79-W258 HydrophobicContact CE2-CE3 3.63Å; F79-W258 AromaticContact CE2-CZ3 3.79Å; F79-W258 HydrophobicContact CE2-CZ3 3.79Å; I106-W258 HydrophobicContact CD1-CD2 4.3Å; I106-W258 HydrophobicContact CD1-CE3 4.16Å; I106-W258 HydrophobicContact CD1-CH2 3.52Å; I106-W258 HydrophobicContact CD1-CZ2 3.63Å; I106-W258 HydrophobicContact CD1-CZ3 3.78Å; I106-W258 HydrophobicContact CG1-CH2 4.41Å; L222-W258 HydrophobicContact CB-CZ2 4.09Å; L223-W258 WeakPolarHBondContact O-CZ2 3.46Å; P225-W258 HydrophobicContact CG-CB 3.88Å; P225-W258 HydrophobicContact CG-CD2 3.82Å; P225-W258 HydrophobicContact CG-CE3 3.82Å; P225-W258 HydrophobicContact CG-CG 3.89Å; V254-W258 HydrophobicContact CG1-CB 3.72Å; V254-W258 HydrophobicContact CG1-CE3 4.38Å; P255-W258 WeakPolarHBondContact O-CB 3.47Å; P255-W258 PolarHBondContact O-N 2.98Å; W256-W258 PolarHBondContact O-N 2.86Å; W258-I260 VanDerWaalsContact C-N 3.34Å; W258-D261 PolarHBondContact O-N 2.98Å; W258-L262 WeakPolarHBondContact O-CG 3.16Å; W258-L262 PolarHBondContact O-N 3.14Å
259	V	95.8	Very high	95.5	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.006	16%	0.162	C	C	.	.	H	α-helix	trans	-60.2	-47.3	170.3	-179.4	0	0	0	0	109.8	L249 V254 P255 W256 D261 L262 L263 L272	L249-V259 HydrophobicContact CD1-CG2 4.37Å; V254-V259 HydrophobicContact CG1-CG2 4.02Å; P255-V259 PolarHBondContact O-N 3.44Å; W256-V259 HydrophobicContact CE3-CB 4.23Å; W256-V259 HydrophobicContact CE3-CG1 4.44Å; W256-V259 HydrophobicContact CE3-CG2 4.27Å; W256-V259 HydrophobicContact CZ3-CB 4.43Å; W256-V259 HydrophobicContact CZ3-CG1 4.15Å; W256-V259 WeakPolarHBondContact O-CA 3.38Å; W256-V259 WeakPolarHBondContact O-CB 3.44Å; W256-V259 PolarHBondContact O-N 2.97Å; V259-D261 VanDerWaalsContact C-N 3.34Å; V259-D261 PolarHBondContact O-N 3.36Å; V259-L262 WeakPolarHBondContact O-CB 3.44Å; V259-L262 PolarHBondContact O-N 2.62Å; V259-L263 HydrophobicContact CG1-CD1 4.39Å; V259-L263 HydrophobicContact CG1-CG 4.48Å; V259-L263 WeakPolarHBondContact O-CG 3.49Å; V259-L263 PolarHBondContact O-N 3.07Å; V259-L272 HydrophobicContact CG1-CD1 4.42Å; V259-L272 HydrophobicContact CG1-CD2 3.8Å
260	I	94.9	Very high	95.5	Very high	17 Å²	17	34.8 Å²	34.8	9%	0.087	17%	0.172	C	C	.	.	H	α-helix	trans	-59.4	-42.6	176.3	-59.7	-61	0	0	0	111.8	W256 N257 W258 L262 L263 Y264 P301 F303 H328	W256-I260 HydrophobicContact CZ2-CD1 4.36Å; W256-I260 WeakPolarHBondContact O-CG1 3.42Å; W256-I260 PolarHBondContact O-N 2.76Å; N257-I260 PolarHBondContact O-N 2.83Å; W258-I260 VanDerWaalsContact C-N 3.34Å; I260-L262 PolarHBondContact O-N 2.96Å; I260-L263 HydrophobicContact CD1-CD1 4.36Å; I260-L263 PolarHBondContact O-N 3.29Å; I260-Y264 HydrophobicContact CG2-CE2 4.19Å; I260-Y264 VanDerWaalsContact O-CD2 3.32Å; I260-Y264 WeakPolarHBondContact O-CD2 3.07Å; I260-Y264 PolarHBondContact O-N 3.12Å; I260-P301 HydrophobicContact CG2-CG 4.19Å; I260-F303 HydrophobicContact CD1-CE2 3.97Å; I260-F303 HydrophobicContact CG2-CE2 4.14Å; I260-F303 HydrophobicContact CG2-CZ 4.09Å; I260-H328 HydrophobicContact CD1-CB 4.28Å
261	D	94.9	Very high	95.6	Very high	34 Å²	34	35.1 Å²	35.1	18%	0.182	17%	0.174	C	C	.	.	H	α-helix	trans	-57.5	-45	174.6	176.4	79.2	0	0	0	112.4	A224 S226 N257 W258 V259 L263 Y264	A224-D261 HydrophobicContact CB-CB 4.17Å; S226-D261 WeakPolarHBondContact CB-OD1 3.43Å; S226-D261 WeakPolarHBondContact CB-OD2 3.08Å; S226-D261 PolarHBondContact N-OD2 3.46Å; S226-D261 PolarHBondContact OG-OD1 3.13Å; S226-D261 PolarHBondContact OG-OD2 3.17Å; N257-D261 PolarHBondContact O-N 3.42Å; W258-D261 PolarHBondContact O-N 2.98Å; V259-D261 VanDerWaalsContact C-N 3.34Å; V259-D261 PolarHBondContact O-N 3.36Å; D261-L263 PolarHBondContact O-N 3.29Å; D261-Y264 PolarHBondContact O-N 2.93Å
262	L	96.2	Very high	95.7	Very high	10 Å²	10	34 Å²	34	5%	0.052	17%	0.166	C	C	.	.	H	α-helix	trans	-62.9	-42.1	176.9	-67.4	168	0	0	0	111.6	F79 F83 P225 L249 W258 V259 I260 Y264 R265 L266	F79-L262 HydrophobicContact CD1-CD1 4.41Å; F79-L262 HydrophobicContact CD1-CD2 4.04Å; F79-L262 HydrophobicContact CE1-CD1 3.54Å; F79-L262 HydrophobicContact CE1-CD2 4Å; F79-L262 HydrophobicContact CE1-CG 4.31Å; F79-L262 HydrophobicContact CZ-CD1 4.01Å; F83-L262 HydrophobicContact CE2-CD2 4.07Å; F83-L262 HydrophobicContact CZ-CD2 3.79Å; P225-L262 HydrophobicContact CB-CD2 3.77Å; P225-L262 HydrophobicContact CB-CG 4.29Å; P225-L262 HydrophobicContact CG-CD2 4.37Å; P225-L262 HydrophobicContact CG-CG 4.38Å; L249-L262 HydrophobicContact CD1-CD1 4.18Å; W258-L262 WeakPolarHBondContact O-CG 3.16Å; W258-L262 PolarHBondContact O-N 3.14Å; V259-L262 WeakPolarHBondContact O-CB 3.44Å; V259-L262 PolarHBondContact O-N 2.62Å; I260-L262 PolarHBondContact O-N 2.96Å; L262-Y264 PolarHBondContact O-N 2.92Å; L262-R265 WeakPolarHBondContact O-CB 3.29Å; L262-R265 PolarHBondContact O-N 3.08Å; L262-L266 WeakPolarHBondContact O-CG 3.33Å
263	L	96.9	Very high	95.8	Very high	3 Å²	3	35 Å²	35	2%	0.016	17%	0.17	C	C	.	.	H	α-helix	trans	-61.3	-29	-177	-69.2	179	0	0	0	113.2	V259 I260 D261 R265 L266 L269 L272 F303 F329	V259-L263 HydrophobicContact CG1-CD1 4.39Å; V259-L263 HydrophobicContact CG1-CG 4.48Å; V259-L263 WeakPolarHBondContact O-CG 3.49Å; V259-L263 PolarHBondContact O-N 3.07Å; I260-L263 HydrophobicContact CD1-CD1 4.36Å; I260-L263 PolarHBondContact O-N 3.29Å; D261-L263 PolarHBondContact O-N 3.29Å; L263-R265 PolarHBondContact O-N 3.42Å; L263-R265 VanDerWaalsContact O-N 3.12Å; L263-L266 PolarHBondContact O-N 3.44Å; L263-L269 HydrophobicContact CD2-CB 4.49Å; L263-L269 HydrophobicContact CD2-CD2 3.31Å; L263-L272 HydrophobicContact CD1-CD2 4.44Å; L263-F303 VanDerWaalsContact C-CE1 3.46Å; L263-F303 HydrophobicContact CB-CD1 3.68Å; L263-F303 HydrophobicContact CB-CD2 4.2Å; L263-F303 HydrophobicContact CB-CE1 3.37Å; L263-F303 HydrophobicContact CB-CE2 3.94Å; L263-F303 HydrophobicContact CB-CG 4.08Å; L263-F303 HydrophobicContact CB-CZ 3.51Å; L263-F303 HydrophobicContact CD1-CD2 3.75Å; L263-F303 HydrophobicContact CD1-CE2 3.86Å; L263-F303 HydrophobicContact CD1-CG 4.12Å; L263-F303 HydrophobicContact CD1-CZ 4.31Å; L263-F329 HydrophobicContact CD1-CE1 3.76Å; L263-F329 HydrophobicContact CD1-CZ 4.13Å
264	Y	94.9	Very high	96	Very high	135 Å²	135	30.6 Å²	30.6	53%	0.529	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-24.5	171.8	-80.7	-73.7	0	0	0	113.6	I260 D261 L262 P301 F303	I260-Y264 HydrophobicContact CG2-CE2 4.19Å; I260-Y264 VanDerWaalsContact O-CD2 3.32Å; I260-Y264 WeakPolarHBondContact O-CD2 3.07Å; I260-Y264 PolarHBondContact O-N 3.12Å; D261-Y264 PolarHBondContact O-N 2.93Å; L262-Y264 PolarHBondContact O-N 2.92Å; Y264-P301 HydrophobicContact CE1-CB 4.17Å; Y264-P301 HydrophobicContact CE2-CB 4.36Å; Y264-P301 VanDerWaalsContact OH-CB 3.29Å; Y264-P301 WeakPolarHBondContact OH-CB 3.37Å; Y264-F303 HydrophobicContact CG-CE1 4.5Å
265	R	96	Very high	96.1	Very high	42 Å²	42	31.1 Å²	31.1	16%	0.158	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94	-6.2	179.1	-54.7	-71.2	177.5	-146.2	3.8	112.7	F83 P237 K239 V240 F241 L262 L263 P267	F83-R265 HydrophobicContact CE1-CG 4.38Å; P237-R265 PolarHBondContact O-NH1 3.05Å; P237-R265 PolarHBondContact O-NH2 2.79Å; K239-R265 WeakPolarHBondContact O-CD 3.38Å; V240-R265 CarbonylContact C-O 3.42Å; V240-R265 WeakPolarHBondContact CA-O 3.38Å; F241-R265 HydrophobicContact CD2-CB 4.05Å; F241-R265 HydrophobicContact CE2-CB 4.19Å; F241-R265 PolarHBondContact N-O 3.17Å; L262-R265 WeakPolarHBondContact O-CB 3.29Å; L262-R265 PolarHBondContact O-N 3.08Å; L263-R265 PolarHBondContact O-N 3.42Å; L263-R265 VanDerWaalsContact O-N 3.12Å; R265-P267 VanDerWaalsContact C-CD 3.48Å; R265-P267 VanDerWaalsContact O-CD 3.28Å; R265-P267 WeakPolarHBondContact O-CD 3.36Å
266	L	97.5	Very high	96.2	Very high	9 Å²	9	33.9 Å²	33.9	5%	0.047	16%	0.164	C	C	.	.			trans	-121.9	67.4	-170.2	-54.9	176.9	0	0	0	110.8	F241 L244 L247 L262 L263 N268 L269	F241-L266 HydrophobicContact CB-CD2 3.88Å; F241-L266 HydrophobicContact CD2-CD2 4.02Å; F241-L266 HydrophobicContact CG-CD2 4.4Å; L244-L266 HydrophobicContact CB-CD2 4.29Å; L244-L266 HydrophobicContact CD2-CD1 4.09Å; L244-L266 HydrophobicContact CD2-CD2 3.72Å; L247-L266 HydrophobicContact CD2-CD1 3.78Å; L262-L266 WeakPolarHBondContact O-CG 3.33Å; L263-L266 PolarHBondContact O-N 3.44Å; L266-N268 PolarHBondContact O-N 2.94Å; L266-N268 VanDerWaalsContact O-N 3.07Å; L266-L269 HydrophobicContact CB-CB 4.07Å; L266-L269 HydrophobicContact CD1-CD1 4.38Å; L266-L269 HydrophobicContact CD1-CD2 4.38Å; L266-L269 PolarHBondContact O-N 3.47Å
267	P	95.9	Very high	96.3	Very high	55 Å²	55	33.5 Å²	33.5	36%	0.357	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-19.7	-166.9	26.6	-36.4	0	0	0	114.9	V240 P242 R265 H305	V240-P267 HydrophobicContact CB-CG 4.41Å; P242-P267 HydrophobicContact CB-CG 4.31Å; R265-P267 VanDerWaalsContact C-CD 3.48Å; R265-P267 VanDerWaalsContact O-CD 3.28Å; R265-P267 WeakPolarHBondContact O-CD 3.36Å; P267-H305 PolarHBondContact O-ND1 2.97Å
268	N	96.9	Very high	96.4	Very high	72 Å²	72	32.7 Å²	32.7	39%	0.385	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115	16.7	-176.3	-62.9	-24.7	0	0	0	112.7	P242 L266 T270	P242-N268 WeakPolarHBondContact O-CB 3.36Å; P242-N268 PolarHBondContact O-ND2 3.09Å; L266-N268 PolarHBondContact O-N 2.94Å; L266-N268 VanDerWaalsContact O-N 3.07Å; N268-T270 PolarHBondContact O-N 2.67Å
269	L	98.3	Very high	96.3	Very high	5 Å²	5	31.9 Å²	31.9	3%	0.026	16%	0.156	C	C	.	.			trans	-65.3	124.5	178.3	-162.3	79.4	0	0	0	110.1	L244 S245 L247 L263 L266 L272 H305 L306	L244-L269 HydrophobicContact CD2-CD1 4.26Å; L244-L269 HydrophobicContact CG-CD1 4.3Å; S245-L269 WeakPolarHBondContact O-CD1 3.13Å; L247-L269 HydrophobicContact CB-CD1 3.73Å; L247-L269 HydrophobicContact CB-CD2 4.12Å; L263-L269 HydrophobicContact CD2-CB 4.49Å; L263-L269 HydrophobicContact CD2-CD2 3.31Å; L266-L269 HydrophobicContact CB-CB 4.07Å; L266-L269 HydrophobicContact CD1-CD1 4.38Å; L266-L269 HydrophobicContact CD1-CD2 4.38Å; L266-L269 PolarHBondContact O-N 3.47Å; L269-L272 HydrophobicContact CD2-CB 4.26Å; L269-L272 HydrophobicContact CD2-CD1 4.35Å; L269-H305 CarbonylContact O-C 3.43Å; L269-H305 VanDerWaalsContact O-C 3.26Å; L269-H305 VanDerWaalsContact O-O 3.1Å; L269-L306 HydrophobicContact CD2-CD1 3.97Å; L269-L306 HydrophobicContact CG-CD1 4.31Å; L269-L306 WeakPolarHBondContact O-CA 3.15Å; L269-L306 PolarHBondContact O-N 2.85Å
270	T	98.4	Very high	95.9	Very high	34 Å²	34	32.1 Å²	32.1	21%	0.209	16%	0.159	C	C	.	.			trans	-104.6	-37	-178.9	56.1	0	0	0	0	112.8	S245 N268 H305 H307 S308	S245-T270 PolarHBondContact O-N 3.45Å; S245-T270 PolarHBondContact O-OG1 3.42Å; S245-T270 VanDerWaalsContact O-OG1 3.05Å; N268-T270 PolarHBondContact O-N 2.67Å; T270-H305 WeakPolarHBondContact CA-O 3.15Å; T270-H307 PolarHBondContact O-N 2.95Å; T270-S308 PolarHBondContact O-N 2.92Å
271	D	98.5	Very high	95.2	Very high	37 Å²	37	33.2 Å²	33.2	20%	0.198	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	121.9	-173	-55.9	-102.3	0	0	0	110.3	S245 V246 L247 S308	S245-D271 PolarHBondContact O-N 3.31Å; V246-D271 WeakPolarHBondContact CA-O 3.49Å; V246-D271 HydrophobicContact CB-CB 4.48Å; V246-D271 HydrophobicContact CG1-CB 4.19Å; V246-D271 HydrophobicContact CG2-CB 4.12Å; L247-D271 PolarHBondContact N-O 2.96Å; D271-S308 WeakPolarHBondContact OD1-CB 3.33Å; D271-S308 PolarHBondContact OD1-OG 3.05Å
272	L	98.5	Very high	93.9	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	120.4	179.4	176.6	63.2	0	0	0	110.2	L247 W256 V259 L263 L269 V274 L306 S308 L309 Y310	L247-L272 HydrophobicContact CB-CD1 4.44Å; L247-L272 HydrophobicContact CD2-CD1 4.41Å; L247-L272 HydrophobicContact CG-CD1 4.45Å; L247-L272 WeakPolarHBondContact O-CA 3.41Å; W256-L272 HydrophobicContact CH2-CD2 4.46Å; V259-L272 HydrophobicContact CG1-CD1 4.42Å; V259-L272 HydrophobicContact CG1-CD2 3.8Å; L263-L272 HydrophobicContact CD1-CD2 4.44Å; L269-L272 HydrophobicContact CD2-CB 4.26Å; L269-L272 HydrophobicContact CD2-CD1 4.35Å; L272-V274 HydrophobicContact CD1-CG1 3.62Å; L272-V274 HydrophobicContact CD2-CG1 4.12Å; L272-V274 HydrophobicContact CG-CG1 3.67Å; L272-L306 HydrophobicContact CB-CD1 3.65Å; L272-L306 HydrophobicContact CB-CD2 4.45Å; L272-S308 PolarHBondContact N-O 2.7Å; L272-L309 HydrophobicContact CB-CD1 4.16Å; L272-L309 HydrophobicContact CD2-CD1 3.91Å; L272-L309 HydrophobicContact CG-CD1 4.06Å; L272-Y310 PolarHBondContact O-N 2.95Å
273	H	98.3	Very high	92.2	Very high	20 Å²	20	35.4 Å²	35.4	9%	0.093	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	117.8	175.1	-52.2	-104.4	0	0	0	110.6	L247 A248 L249 N250 Y310	L247-H273 PolarHBondContact O-N 3.49Å; A248-H273 HydrophobicContact CB-CB 3.86Å; L249-H273 CarbonylContact C-O 3.55Å; L249-H273 WeakPolarHBondContact CA-O 3.32Å; L249-H273 PolarHBondContact N-O 3.19Å; N250-H273 WeakPolarHBondContact OD1-CB 3.41Å; N250-H273 PolarHBondContact OD1-O 2.86Å; H273-Y310 AromaticContact CE1-CD2 3.25Å; H273-Y310 WeakPolarHBondContact CE1-CD2 3.37Å; H273-Y310 AromaticContact CE1-CE2 3.24Å; H273-Y310 WeakPolarHBondContact CE1-CE2 3.24Å; H273-Y310 AromaticContact CE1-CG 3.75Å; H273-Y310 AromaticContact CE1-CZ 3.75Å; H273-Y310 AromaticContact CG-CD2 3.81Å; H273-Y310 AromaticContact ND1-CD1 3.95Å; H273-Y310 AromaticContact ND1-CD2 3.19Å; H273-Y310 WeakPolarHBondContact ND1-CD2 3.33Å; H273-Y310 AromaticContact ND1-CE2 3.71Å; H273-Y310 AromaticContact ND1-CG 3.33Å; H273-Y310 VanDerWaalsContact ND1-CG 3.33Å; H273-Y310 AromaticContact NE2-CD2 3.9Å; H273-Y310 AromaticContact NE2-CE2 3.83Å
274	V	97.5	Very high	90.1	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.216	C	C	.	.			trans	-139.8	30.8	-172.3	-70.4	0	0	0	0	111.6	L249 N250 W256 L272 N277 Y279 L309 Y310 Y311 N314	L249-V274 HydrophobicContact CB-CG1 4.29Å; N250-V274 PolarHBondContact OD1-N 3.37Å; N250-V274 VanDerWaalsContact OD1-N 3.07Å; W256-V274 HydrophobicContact CZ3-CG2 4.1Å; L272-V274 HydrophobicContact CD1-CG1 3.62Å; L272-V274 HydrophobicContact CD2-CG1 4.12Å; L272-V274 HydrophobicContact CG-CG1 3.67Å; V274-N277 WeakPolarHBondContact CA-ND2 2.9Å; V274-N277 PolarHBondContact O-ND2 3.35Å; V274-Y279 HydrophobicContact CB-CE2 3.93Å; V274-Y279 HydrophobicContact CG2-CE2 4.21Å; V274-L309 HydrophobicContact CG2-CD1 3.91Å; V274-Y310 CarbonylContact C-O 3.45Å; V274-Y310 WeakPolarHBondContact CG2-O 3.49Å; V274-Y310 PolarHBondContact N-O 2.83Å; V274-Y311 HydrophobicContact CG2-CD2 3.59Å; V274-Y311 HydrophobicContact CG2-CE2 3.74Å; V274-Y311 HydrophobicContact CG2-CG 4.42Å; V274-N314 PolarHBondContact O-ND2 3.21Å; V274-N314 PolarHBondContact O-OD1 3.39Å
275	A	96.4	Very high	88.1	Confident	12 Å²	12	42.1 Å²	42.1	10%	0.099	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	151.9	176.4	0	0	0	0	0	112	N250 S251 N277 Y310 S312	N250-A275 CarbonylContact C-O 3.56Å; N250-A275 WeakPolarHBondContact CA-O 3.37Å; N250-A275 HydrophobicContact CB-CB 4.28Å; N250-A275 WeakPolarHBondContact OD1-CB 3.21Å; N250-A275 PolarHBondContact OD1-N 3.04Å; S251-A275 PolarHBondContact N-O 3.2Å; A275-N277 VanDerWaalsContact C-N 3.33Å; A275-N277 PolarHBondContact O-N 2.89Å; A275-N277 PolarHBondContact O-ND2 3.19Å; A275-Y310 PolarHBondContact N-O 3.26Å; A275-S312 CarbonylContact C-O 3.56Å; A275-S312 WeakPolarHBondContact CA-O 3.24Å; A275-S312 WeakPolarHBondContact CB-O 3.25Å
276	R	95.2	Very high	85.9	Confident	86 Å²	86	44 Å²	44	33%	0.325	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	36.6	172.2	-60.1	178.1	-177.4	158	0.7	115.1	S251 S312 D313	S251-R276 WeakPolarHBondContact CA-O 3.41Å; S251-R276 WeakPolarHBondContact OG-CB 3.27Å; R276-S312 PolarHBondContact N-O 2.9Å; R276-D313 VanDerWaalsContact CA-O 3.3Å; R276-D313 WeakPolarHBondContact CA-O 3.2Å; R276-D313 HydrophobicContact CG-CB 3.45Å; R276-D313 VanDerWaalsContact CG-CB 3.45Å; R276-D313 IonicContact CZ-OD2 2.71Å; R276-D313 VanDerWaalsContact CZ-OD2 3.26Å; R276-D313 IonicContact NE-OD2 3.83Å; R276-D313 PolarHBondContact NE-OD2 3.23Å; R276-D313 IonicContact NH2-OD2 3.84Å; R276-D313 PolarHBondContact NH2-OD2 3.15Å
277	N	95	Very high	83.5	Confident	8 Å²	8	51 Å²	51	4%	0.043	27%	0.271	C	S	.	.	S	Bend	trans	-106.2	6.3	174.6	-71.8	-56.5	0	0	0	113.2	L249 T252 Y253 V274 A275 Y279 N314	L249-N277 PolarHBondContact O-ND2 3.15Å; L249-N277 PolarHBondContact O-OD1 2.93Å; T252-N277 PolarHBondContact N-OD1 2.83Å; T252-N277 PolarHBondContact OG1-OD1 3.26Å; Y253-N277 WeakPolarHBondContact CA-OD1 3.46Å; Y253-N277 PolarHBondContact N-OD1 2.82Å; V274-N277 WeakPolarHBondContact CA-ND2 2.9Å; V274-N277 PolarHBondContact O-ND2 3.35Å; A275-N277 VanDerWaalsContact C-N 3.33Å; A275-N277 PolarHBondContact O-N 2.89Å; A275-N277 PolarHBondContact O-ND2 3.19Å; N277-Y279 VanDerWaalsContact C-N 3.35Å; N277-Y279 HydrophobicContact CB-CD1 4.48Å; N277-Y279 HydrophobicContact CB-CD2 3.99Å; N277-Y279 HydrophobicContact CB-CE1 3.96Å; N277-Y279 HydrophobicContact CB-CE2 3.48Å; N277-Y279 VanDerWaalsContact CB-CE2 3.48Å; N277-Y279 HydrophobicContact CB-CG 4.49Å; N277-Y279 VanDerWaalsContact CB-CZ 3.43Å; N277-Y279 PolarHBondContact O-N 2.88Å; N277-N314 WeakPolarHBondContact CA-OD1 3.36Å; N277-N314 PolarHBondContact N-OD1 3.28Å
278	N	93	Very high	80.8	Confident	85 Å²	85	53.9 Å²	53.9	46%	0.455	29%	0.292	S	S	.	.			trans	61.3	35.1	174.9	-165.1	31.1	0	0	0	114.5	G280 A281 N314	N278-G280 PolarHBondContact O-N 3Å; N278-G280 VanDerWaalsContact O-N 3.12Å; N278-A281 WeakPolarHBondContact ND2-CB 3.47Å; N278-A281 WeakPolarHBondContact O-CB 3.02Å; N278-A281 PolarHBondContact O-N 2.76Å; N278-N314 CarbonylContact C-O 3.58Å; N278-N314 WeakPolarHBondContact CA-O 3.47Å; N278-N314 PolarHBondContact N-OD1 3.02Å
279	Y	92.9	Very high	78	Confident	4 Å²	4	54.1 Å²	54.1	2%	0.016	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-64.4	-13.7	178.3	-61.2	-54.4	0	0	0	114.3	V254 W256 V274 N277 A281 Y311 N314	V254-Y279 WeakPolarHBondContact O-CE1 3.25Å; V254-Y279 PolarHBondContact O-OH 2.97Å; W256-Y279 HydrophobicContact CB-CD1 4.04Å; W256-Y279 HydrophobicContact CB-CE1 3.96Å; W256-Y279 HydrophobicContact CE3-CD1 4.49Å; W256-Y279 HydrophobicContact CE3-CD2 4.38Å; W256-Y279 HydrophobicContact CE3-CE1 4.1Å; W256-Y279 AromaticContact CE3-CE2 3.9Å; W256-Y279 HydrophobicContact CE3-CE2 3.9Å; W256-Y279 AromaticContact CE3-CZ 3.78Å; W256-Y279 HydrophobicContact CZ3-CE2 4.23Å; V274-Y279 HydrophobicContact CB-CE2 3.93Å; V274-Y279 HydrophobicContact CG2-CE2 4.21Å; N277-Y279 VanDerWaalsContact C-N 3.35Å; N277-Y279 HydrophobicContact CB-CD1 4.48Å; N277-Y279 HydrophobicContact CB-CD2 3.99Å; N277-Y279 HydrophobicContact CB-CE1 3.96Å; N277-Y279 HydrophobicContact CB-CE2 3.48Å; N277-Y279 VanDerWaalsContact CB-CE2 3.48Å; N277-Y279 HydrophobicContact CB-CG 4.49Å; N277-Y279 VanDerWaalsContact CB-CZ 3.43Å; N277-Y279 PolarHBondContact O-N 2.88Å; Y279-A281 VanDerWaalsContact C-N 3.32Å; Y279-Y311 WeakPolarHBondContact CB-OH 3.36Å; Y279-Y311 AromaticContact CD2-CE1 3.49Å; Y279-Y311 HydrophobicContact CD2-CE1 3.49Å; Y279-Y311 VanDerWaalsContact CD2-CE1 3.49Å; Y279-Y311 HydrophobicContact CD2-CE2 4.12Å; Y279-Y311 AromaticContact CD2-CZ 3.26Å; Y279-Y311 WeakPolarHBondContact CD2-OH 3.43Å; Y279-Y311 HydrophobicContact CE2-CE1 4.43Å; Y279-Y311 HydrophobicContact CE2-CE2 4.37Å; Y279-Y311 AromaticContact CE2-CZ 3.92Å; Y279-Y311 HydrophobicContact CG-CE1 4.1Å; Y279-Y311 AromaticContact CG-CZ 3.9Å; Y279-N314 HydrophobicContact CD2-CB 4.39Å; Y279-N314 WeakPolarHBondContact CD2-OD1 3.36Å; Y279-N314 PolarHBondContact N-O 2.67Å
280	G	88.8	Confident	74.9	Confident	6 Å²	6	60 Å²	60	6%	0.062	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-70.8	-20.9	170.3	0	0	0	0	0	114.2	N278 E282 E283 N314	N278-G280 PolarHBondContact O-N 3Å; N278-G280 VanDerWaalsContact O-N 3.12Å; G280-E282 PolarHBondContact O-N 3.5Å; G280-E283 WeakPolarHBondContact O-CB 3.48Å; G280-E283 VanDerWaalsContact O-CG 3.23Å; G280-E283 WeakPolarHBondContact O-CG 3.41Å; G280-E283 PolarHBondContact O-N 2.87Å; G280-N314 PolarHBondContact N-O 2.91Å
281	A	78.9	Confident	72.5	Confident	40 Å²	40	64.6 Å²	64.6	33%	0.331	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-65.5	-25	-178.9	0	0	0	0	0	113.6	N278 Y279 E283 Q284	N278-A281 WeakPolarHBondContact ND2-CB 3.47Å; N278-A281 WeakPolarHBondContact O-CB 3.02Å; N278-A281 PolarHBondContact O-N 2.76Å; Y279-A281 VanDerWaalsContact C-N 3.32Å; A281-E283 PolarHBondContact O-N 2.92Å; A281-Q284 PolarHBondContact O-N 2.94Å
282	E	67.5	Low	69.7	Low	57 Å²	57	68 Å²	68	27%	0.266	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-62.9	-22.3	174.8	-67.4	-179.7	-178.4	0	0	112.3	G280 Q284 T285 E286 R324	G280-E282 PolarHBondContact O-N 3.5Å; E282-Q284 PolarHBondContact O-N 2.98Å; E282-T285 PolarHBondContact O-N 3.07Å; E282-E286 PolarHBondContact O-N 3.35Å; E282-R324 IonicContact OE2-NH2 2.71Å; E282-R324 PolarHBondContact OE2-NH2 3.4Å
283	E	61	Low	67.3	Low	34 Å²	34	74.6 Å²	74.6	16%	0.159	40%	0.403	C	S	.	.	G	3₁₀ helix	trans	-57.6	-32.7	177.9	-66.5	-178.5	169.1	0	0	112.5	G280 A281 T285 I316 S317 N318 T321	G280-E283 WeakPolarHBondContact O-CB 3.48Å; G280-E283 VanDerWaalsContact O-CG 3.23Å; G280-E283 WeakPolarHBondContact O-CG 3.41Å; G280-E283 PolarHBondContact O-N 2.87Å; A281-E283 PolarHBondContact O-N 2.92Å; E283-T285 VanDerWaalsContact C-N 3.35Å; E283-I316 WeakPolarHBondContact OE1-CG2 3.11Å; E283-S317 PolarHBondContact OE1-N 3.01Å; E283-S317 PolarHBondContact OE2-N 2.9Å; E283-S317 PolarHBondContact OE2-OG 2.93Å; E283-N318 WeakPolarHBondContact OE1-CB 3.19Å; E283-N318 PolarHBondContact OE1-N 2.97Å; E283-T321 HydrophobicContact CG-CG2 4.13Å; E283-T321 WeakPolarHBondContact CG-OG1 3.32Å; E283-T321 WeakPolarHBondContact OE1-CB 3.1Å; E283-T321 PolarHBondContact OE1-OG1 3.14Å
284	Q	53	Low	64.9	Low	168 Å²	168	78.4 Å²	78.4	79%	0.785	42%	0.424	S	S	*	.	G	3₁₀ helix	trans	-80	-19	-179.8	-63.2	-175.8	9.8	0	0	113.1	A281 E282	A281-Q284 PolarHBondContact O-N 2.94Å; E282-Q284 PolarHBondContact O-N 2.98Å
285	T	52.1	Low	62.4	Low	111 Å²	111	84.2 Å²	84.2	68%	0.681	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-25.3	-174.1	-34.7	0	0	0	0	111.6	E282 E283	E282-T285 PolarHBondContact O-N 3.07Å; E283-T285 VanDerWaalsContact C-N 3.35Å
286	E	50.5	Low	60.1	Low	80 Å²	80	88.7 Å²	88.7	37%	0.374	48%	0.478	S	S	.	.			trans	-106.6	12.1	-170.3	-67.9	-172.5	178.8	0	0	115.2	E282 S288 S289 R324	E282-E286 PolarHBondContact O-N 3.35Å; E286-S288 PolarHBondContact O-N 2.74Å; E286-S289 PolarHBondContact O-N 3.23Å; E286-S289 PolarHBondContact O-OG 2.88Å; E286-R324 IonicContact OE2-CZ 3.94Å; E286-R324 VanDerWaalsContact OE2-CZ 3.3Å; E286-R324 IonicContact OE2-NH1 3.87Å; E286-R324 PolarHBondContact OE2-NH1 3.19Å; E286-R324 IonicContact OE2-NH2 3.69Å
287	L	46.3	Very low	58.3	Low	158 Å²	158	89.6 Å²	89.6	83%	0.827	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	7.5	171.9	-82.5	151	0	0	0	114.8
288	S	40.3	Very low	56.8	Low	115 Å²	115	93.5 Å²	93.5	80%	0.804	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.2	0.8	176.7	57.9	0	0	0	0	115.2	E286	E286-S288 PolarHBondContact O-N 2.74Å
289	S	37.6	Very low	56.1	Low	77 Å²	77	95.2 Å²	95.2	54%	0.538	54%	0.543	S	S	.	.			trans	-114.7	76.5	173.4	58	0	0	0	0	111	E286 H291	E286-S289 PolarHBondContact O-N 3.23Å; E286-S289 PolarHBondContact O-OG 2.88Å; S289-H291 PolarHBondContact O-N 3.29Å; S289-H291 VanDerWaalsContact O-N 3.09Å
290	D	33.9	Very low	55.6	Low	129 Å²	129	98.7 Å²	98.7	69%	0.69	56%	0.562	S	S	*	*			trans	-46.9	113.5	158.2	-83.2	-33.8	0	0	0	109.4	N292	D290-N292 VanDerWaalsContact O-CB 3.29Å; D290-N292 WeakPolarHBondContact O-CB 3.48Å; D290-N292 PolarHBondContact O-N 2.88Å; D290-N292 PolarHBondContact O-ND2 2.76Å
291	H	46.9	Very low	55.5	Low	130 Å²	130	99.9 Å²	99.9	60%	0.602	57%	0.568	S	S	*	*	S	Bend	trans	42	18.6	147.3	-75.6	-54.1	0	0	0	120.5	S289	S289-H291 PolarHBondContact O-N 3.29Å; S289-H291 VanDerWaalsContact O-N 3.09Å
292	N	40.7	Very low	56.2	Low	109 Å²	109	101.7 Å²	101.7	58%	0.583	58%	0.575	S	S	*	*			trans	-118.6	8.7	-168.5	-75.5	-53.5	0	0	0	115.2	D290 D294 N295	D290-N292 VanDerWaalsContact O-CB 3.29Å; D290-N292 WeakPolarHBondContact O-CB 3.48Å; D290-N292 PolarHBondContact O-N 2.88Å; D290-N292 PolarHBondContact O-ND2 2.76Å; N292-D294 PolarHBondContact O-N 3.38Å; N292-D294 VanDerWaalsContact O-N 3.11Å; N292-N295 PolarHBondContact O-N 3.18Å
293	D	46.5	Very low	57.5	Low	138 Å²	138	100.2 Å²	100.2	74%	0.738	57%	0.568	S	S	*	*	G	3₁₀ helix	trans	-68.7	-6.1	175.2	-138.6	28.5	0	0	0	112.7	N295	D293-N295 VanDerWaalsContact C-N 3.27Å; D293-N295 PolarHBondContact O-N 2.78Å
294	D	48.9	Very low	59.1	Low	99 Å²	99	101.8 Å²	101.8	53%	0.529	58%	0.581	S	S	.	*	G	3₁₀ helix	trans	-80.9	2	172.9	-72.3	-25.8	0	0	0	114	N292	N292-D294 PolarHBondContact O-N 3.38Å; N292-D294 VanDerWaalsContact O-N 3.11Å
295	N	45.4	Very low	61.1	Low	122 Å²	122	98 Å²	98	65%	0.652	56%	0.563	S	S	*	*	G	3₁₀ helix	trans	-88.7	-0.3	175.9	-80.1	-46.8	0	0	0	114.4	N292 D293	N292-N295 PolarHBondContact O-N 3.18Å; D293-N295 VanDerWaalsContact C-N 3.27Å; D293-N295 PolarHBondContact O-N 2.78Å
296	D	47.9	Very low	63.3	Low	107 Å²	107	92.9 Å²	92.9	57%	0.572	53%	0.531	S	S	*	.	S	Bend	trans	-86.6	125.5	173.7	-156.7	28.2	0	0	0	110.3	T298	D296-T298 PolarHBondContact O-N 3.46Å; D296-T298 PolarHBondContact OD2-OG1 2.96Å
297	A	57	Low	65.6	Low	104 Å²	104	91.7 Å²	91.7	86%	0.86	53%	0.526	S	S	*	.			trans	-69.2	10.7	-175.3	0	0	0	0	0	113.7
298	T	64.7	Low	68	Low	91 Å²	91	84.5 Å²	84.5	56%	0.558	49%	0.489	S	S	*	.	S	Bend	trans	-87	129.2	-177.4	56.7	0	0	0	0	109.8	D296 L300	D296-T298 PolarHBondContact O-N 3.46Å; D296-T298 PolarHBondContact OD2-OG1 2.96Å; T298-L300 PolarHBondContact O-N 2.82Å
299	P	77	Confident	70.8	Confident	120 Å²	120	79 Å²	79	78%	0.779	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-63	124.8	177.3	24.5	-31.5	0	0	0	109.5
300	L	81.7	Confident	73.6	Confident	78 Å²	78	78.5 Å²	78.5	41%	0.408	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-53.8	127.3	174.9	-178	74.5	0	0	0	110.1	T298 V302 K327	T298-L300 PolarHBondContact O-N 2.82Å; L300-V302 PolarHBondContact O-N 3.34Å; L300-K327 HydrophobicContact CD1-CD 3.71Å; L300-K327 HydrophobicContact CD1-CG 3.96Å; L300-K327 HydrophobicContact CD2-CB 4.09Å; L300-K327 HydrophobicContact CD2-CD 4.12Å; L300-K327 HydrophobicContact CD2-CG 3.86Å; L300-K327 HydrophobicContact CG-CG 4.46Å
301	P	88.6	Confident	76.3	Confident	30 Å²	30	72.5 Å²	72.5	20%	0.195	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-65.2	133.6	174.9	20	-26.8	0	0	0	111	I260 Y264 F303 H328	I260-P301 HydrophobicContact CG2-CG 4.19Å; Y264-P301 HydrophobicContact CE1-CB 4.17Å; Y264-P301 HydrophobicContact CE2-CB 4.36Å; Y264-P301 VanDerWaalsContact OH-CB 3.29Å; Y264-P301 WeakPolarHBondContact OH-CB 3.37Å; P301-F303 HydrophobicContact CB-CE2 4.34Å; P301-F303 HydrophobicContact CB-CZ 4.2Å; P301-H328 PolarHBondContact O-ND1 3.36Å
302	V	92.7	Very high	78.6	Confident	79 Å²	79	67.3 Å²	67.3	48%	0.479	38%	0.383	S	S	.	.			trans	-125.3	139.5	179	-66.4	0	0	0	0	110.7	L300 P304 H328 P330	L300-V302 PolarHBondContact O-N 3.34Å; V302-P304 WeakPolarHBondContact O-CD 3.48Å; V302-H328 CarbonylContact C-O 3.58Å; V302-H328 WeakPolarHBondContact CA-O 3.49Å; V302-P330 HydrophobicContact CB-CG 4.3Å
303	F	95.5	Very high	81.3	Confident	26 Å²	26	64.9 Å²	64.9	11%	0.114	37%	0.37	C	S	.	.			trans	-120.2	83.7	-179.8	-52.6	-76	0	0	0	108.4	I260 L263 Y264 P301 H305 L306 H328 F329	I260-F303 HydrophobicContact CD1-CE2 3.97Å; I260-F303 HydrophobicContact CG2-CE2 4.14Å; I260-F303 HydrophobicContact CG2-CZ 4.09Å; L263-F303 VanDerWaalsContact C-CE1 3.46Å; L263-F303 HydrophobicContact CB-CD1 3.68Å; L263-F303 HydrophobicContact CB-CD2 4.2Å; L263-F303 HydrophobicContact CB-CE1 3.37Å; L263-F303 HydrophobicContact CB-CE2 3.94Å; L263-F303 HydrophobicContact CB-CG 4.08Å; L263-F303 HydrophobicContact CB-CZ 3.51Å; L263-F303 HydrophobicContact CD1-CD2 3.75Å; L263-F303 HydrophobicContact CD1-CE2 3.86Å; L263-F303 HydrophobicContact CD1-CG 4.12Å; L263-F303 HydrophobicContact CD1-CZ 4.31Å; Y264-F303 HydrophobicContact CG-CE1 4.5Å; P301-F303 HydrophobicContact CB-CE2 4.34Å; P301-F303 HydrophobicContact CB-CZ 4.2Å; F303-H305 VanDerWaalsContact C-N 3.25Å; F303-H305 PolarHBondContact O-N 3.16Å; F303-L306 PolarHBondContact O-N 3.26Å; F303-H328 HydrophobicContact CD2-CB 3.89Å; F303-H328 HydrophobicContact CE2-CB 4.13Å; F303-H328 PolarHBondContact N-O 3.19Å; F303-F329 HydrophobicContact CB-CD1 4.13Å; F303-F329 HydrophobicContact CB-CE1 4.3Å; F303-F329 HydrophobicContact CD2-CD1 4.22Å; F303-F329 AromaticContact CD2-CE1 3.79Å; F303-F329 HydrophobicContact CD2-CE1 3.79Å; F303-F329 HydrophobicContact CG-CE1 4.44Å
304	P	93.6	Very high	83.6	Confident	66 Å²	66	58.3 Å²	58.3	43%	0.429	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-17.5	-167.9	28.3	-36.5	0	0	0	114.3	V302 P330	V302-P304 WeakPolarHBondContact O-CD 3.48Å; P304-P330 HydrophobicContact CB-CG 4.45Å
305	H	96.2	Very high	85.8	Confident	90 Å²	90	55.2 Å²	55.2	42%	0.417	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-4.6	-179.1	-57.4	119.8	0	0	0	113.6	P267 L269 T270 F303 H307	P267-H305 PolarHBondContact O-ND1 2.97Å; L269-H305 CarbonylContact O-C 3.43Å; L269-H305 VanDerWaalsContact O-C 3.26Å; L269-H305 VanDerWaalsContact O-O 3.1Å; T270-H305 WeakPolarHBondContact CA-O 3.15Å; F303-H305 VanDerWaalsContact C-N 3.25Å; F303-H305 PolarHBondContact O-N 3.16Å; H305-H307 PolarHBondContact O-CE1 3.37Å; H305-H307 PolarHBondContact O-N 3.12Å; H305-H307 PolarHBondContact O-ND1 2.92Å
306	L	97.6	Very high	88.2	Confident	2 Å²	2	49.4 Å²	49.4	1%	0.01	30%	0.296	C	S	.	.			trans	-77.4	112.5	175.7	-164.1	97.4	0	0	0	109.4	L269 L272 F303 L309 F329 G331 L332	L269-L306 HydrophobicContact CD2-CD1 3.97Å; L269-L306 HydrophobicContact CG-CD1 4.31Å; L269-L306 WeakPolarHBondContact O-CA 3.15Å; L269-L306 PolarHBondContact O-N 2.85Å; L272-L306 HydrophobicContact CB-CD1 3.65Å; L272-L306 HydrophobicContact CB-CD2 4.45Å; F303-L306 PolarHBondContact O-N 3.26Å; L306-L309 HydrophobicContact CD2-CB 4.35Å; L306-L309 HydrophobicContact CD2-CD1 4.5Å; L306-F329 HydrophobicContact CB-CD1 3.98Å; L306-F329 HydrophobicContact CD2-CB 4.26Å; L306-F329 HydrophobicContact CD2-CD1 3.48Å; L306-F329 VanDerWaalsContact CD2-CD1 3.48Å; L306-F329 HydrophobicContact CD2-CD2 3.94Å; L306-F329 HydrophobicContact CD2-CE1 3.72Å; L306-F329 HydrophobicContact CD2-CE2 4.16Å; L306-F329 HydrophobicContact CD2-CG 3.61Å; L306-F329 HydrophobicContact CD2-CZ 4.06Å; L306-F329 HydrophobicContact CG-CD1 4.3Å; L306-G331 CarbonylContact O-C 3.39Å; L306-L332 HydrophobicContact CD2-CD1 4.24Å; L306-L332 PolarHBondContact O-N 2.91Å
307	H	97.8	Very high	90.4	Very high	56 Å²	56	47.1 Å²	47.1	26%	0.259	29%	0.288	S	S	.	.			trans	-104.6	-31	-177.4	-53	114.1	0	0	0	112.2	T270 H305 G331 E333 Q334	T270-H307 PolarHBondContact O-N 2.95Å; H305-H307 PolarHBondContact O-CE1 3.37Å; H305-H307 PolarHBondContact O-N 3.12Å; H305-H307 PolarHBondContact O-ND1 2.92Å; H307-G331 PolarHBondContact CD2-O 3.25Å; H307-E333 HydrophobicContact CB-CB 4.3Å; H307-E333 HydrophobicContact CB-CG 4.38Å; H307-E333 IonicContact CD2-OE1 3.21Å; H307-E333 WeakPolarHBondContact O-CA 2.91Å; H307-E333 PolarHBondContact O-N 3.4Å; H307-Q334 PolarHBondContact O-N 3.12Å
308	S	98.3	Very high	92.1	Very high	7 Å²	7	45.4 Å²	45.4	5%	0.049	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	125.3	-176.7	-47.2	0	0	0	0	111.9	T270 D271 L272 Q334	T270-S308 PolarHBondContact O-N 2.92Å; D271-S308 WeakPolarHBondContact OD1-CB 3.33Å; D271-S308 PolarHBondContact OD1-OG 3.05Å; L272-S308 PolarHBondContact N-O 2.7Å; S308-Q334 WeakPolarHBondContact CA-O 3.39Å
309	L	97.8	Very high	93.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	119	176	-177.1	61.9	0	0	0	111	W256 L272 V274 L306 Y311 F329 L332 Q334 L335 I336	W256-L309 HydrophobicContact CH2-CD1 4.43Å; L272-L309 HydrophobicContact CB-CD1 4.16Å; L272-L309 HydrophobicContact CD2-CD1 3.91Å; L272-L309 HydrophobicContact CG-CD1 4.06Å; V274-L309 HydrophobicContact CG2-CD1 3.91Å; L306-L309 HydrophobicContact CD2-CB 4.35Å; L306-L309 HydrophobicContact CD2-CD1 4.5Å; L309-Y311 HydrophobicContact CD1-CD2 4.03Å; L309-Y311 HydrophobicContact CD2-CD2 3.86Å; L309-Y311 HydrophobicContact CD2-CE2 4.32Å; L309-Y311 HydrophobicContact CG-CD2 3.88Å; L309-F329 HydrophobicContact CD2-CD2 4.02Å; L309-F329 HydrophobicContact CD2-CE2 3.86Å; L309-L332 HydrophobicContact CB-CD1 3.62Å; L309-Q334 PolarHBondContact N-O 2.89Å; L309-L335 HydrophobicContact CB-CD1 4.38Å; L309-L335 HydrophobicContact CD2-CD1 4.24Å; L309-L335 HydrophobicContact CG-CD1 4.46Å; L309-I336 PolarHBondContact O-N 3.39Å
310	Y	97.3	Very high	94.1	Very high	65 Å²	65	37.9 Å²	37.9	26%	0.255	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	109.5	177.5	-58.1	-102	0	0	0	110.7	L272 H273 V274 A275 I336	L272-Y310 PolarHBondContact O-N 2.95Å; H273-Y310 AromaticContact CE1-CD2 3.25Å; H273-Y310 WeakPolarHBondContact CE1-CD2 3.37Å; H273-Y310 AromaticContact CE1-CE2 3.24Å; H273-Y310 WeakPolarHBondContact CE1-CE2 3.24Å; H273-Y310 AromaticContact CE1-CG 3.75Å; H273-Y310 AromaticContact CE1-CZ 3.75Å; H273-Y310 AromaticContact CG-CD2 3.81Å; H273-Y310 AromaticContact ND1-CD1 3.95Å; H273-Y310 AromaticContact ND1-CD2 3.19Å; H273-Y310 WeakPolarHBondContact ND1-CD2 3.33Å; H273-Y310 AromaticContact ND1-CE2 3.71Å; H273-Y310 AromaticContact ND1-CG 3.33Å; H273-Y310 VanDerWaalsContact ND1-CG 3.33Å; H273-Y310 AromaticContact NE2-CD2 3.9Å; H273-Y310 AromaticContact NE2-CE2 3.83Å; V274-Y310 CarbonylContact C-O 3.45Å; V274-Y310 WeakPolarHBondContact CG2-O 3.49Å; V274-Y310 PolarHBondContact N-O 2.83Å; A275-Y310 PolarHBondContact N-O 3.26Å; Y310-I336 HydrophobicContact CD1-CB 3.78Å; Y310-I336 HydrophobicContact CD1-CG1 3.7Å; Y310-I336 HydrophobicContact CD1-CG2 3.91Å; Y310-I336 HydrophobicContact CE1-CB 4.34Å; Y310-I336 HydrophobicContact CE1-CG1 3.74Å; Y310-I336 HydrophobicContact CG-CB 4.34Å; Y310-I336 HydrophobicContact CG-CG1 4.42Å
311	Y	91.2	Very high	94.6	Very high	4 Å²	4	34.4 Å²	34.4	2%	0.016	19%	0.192	C	C	.	.			trans	-121.4	20.5	-167.2	-135.6	-85.2	0	0	0	113.2	W256 V274 Y279 L309 N314 I316 L325 I336 L337 N340	W256-Y311 HydrophobicContact CE3-CE2 4.17Å; W256-Y311 AromaticContact CH2-CE2 3.72Å; W256-Y311 HydrophobicContact CH2-CE2 3.72Å; W256-Y311 AromaticContact CZ3-CE2 3.52Å; W256-Y311 HydrophobicContact CZ3-CE2 3.52Å; V274-Y311 HydrophobicContact CG2-CD2 3.59Å; V274-Y311 HydrophobicContact CG2-CE2 3.74Å; V274-Y311 HydrophobicContact CG2-CG 4.42Å; Y279-Y311 WeakPolarHBondContact CB-OH 3.36Å; Y279-Y311 AromaticContact CD2-CE1 3.49Å; Y279-Y311 HydrophobicContact CD2-CE1 3.49Å; Y279-Y311 VanDerWaalsContact CD2-CE1 3.49Å; Y279-Y311 HydrophobicContact CD2-CE2 4.12Å; Y279-Y311 AromaticContact CD2-CZ 3.26Å; Y279-Y311 WeakPolarHBondContact CD2-OH 3.43Å; Y279-Y311 HydrophobicContact CE2-CE1 4.43Å; Y279-Y311 HydrophobicContact CE2-CE2 4.37Å; Y279-Y311 AromaticContact CE2-CZ 3.92Å; Y279-Y311 HydrophobicContact CG-CE1 4.1Å; Y279-Y311 AromaticContact CG-CZ 3.9Å; L309-Y311 HydrophobicContact CD1-CD2 4.03Å; L309-Y311 HydrophobicContact CD2-CD2 3.86Å; L309-Y311 HydrophobicContact CD2-CE2 4.32Å; L309-Y311 HydrophobicContact CG-CD2 3.88Å; Y311-N314 VanDerWaalsContact C-ND2 3.3Å; Y311-N314 HydrophobicContact CD1-CB 3.88Å; Y311-N314 WeakPolarHBondContact CD1-ND2 3.19Å; Y311-N314 HydrophobicContact CE1-CB 3.91Å; Y311-N314 PolarHBondContact O-ND2 3.28Å; Y311-I316 HydrophobicContact CD1-CD1 3.41Å; Y311-I316 VanDerWaalsContact CD1-CD1 3.41Å; Y311-I316 HydrophobicContact CE1-CD1 3.14Å; Y311-I316 HydrophobicContact CE1-CG1 4.38Å; Y311-L325 HydrophobicContact CE1-CD1 3.82Å; Y311-L325 HydrophobicContact CE2-CD1 4.45Å; Y311-L325 WeakPolarHBondContact OH-CD1 3.36Å; Y311-L325 WeakPolarHBondContact OH-CD2 3.28Å; Y311-I336 CarbonylContact C-O 3.51Å; Y311-I336 WeakPolarHBondContact CA-O 3.43Å; Y311-I336 WeakPolarHBondContact CB-O 3.37Å; Y311-I336 PolarHBondContact N-O 3.04Å; Y311-L337 HydrophobicContact CG-CD2 4.49Å; Y311-N340 PolarHBondContact O-ND2 2.88Å
312	S	94.9	Very high	94.9	Very high	21 Å²	21	33.1 Å²	33.1	15%	0.147	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	151.2	-173.8	-50.9	0	0	0	0	113.9	A275 R276 N314 L338	A275-S312 CarbonylContact C-O 3.56Å; A275-S312 WeakPolarHBondContact CA-O 3.24Å; A275-S312 WeakPolarHBondContact CB-O 3.25Å; R276-S312 PolarHBondContact N-O 2.9Å; S312-N314 VanDerWaalsContact C-N 3.27Å; S312-N314 PolarHBondContact O-N 3.32Å; S312-N314 PolarHBondContact O-ND2 3.17Å; S312-L338 CarbonylContact C-O 3.54Å; S312-L338 WeakPolarHBondContact CA-O 3.35Å; S312-L338 VanDerWaalsContact CB-O 3.26Å; S312-L338 WeakPolarHBondContact CB-O 3.44Å
313	D	96.1	Very high	94.9	Very high	57 Å²	57	29.7 Å²	29.7	31%	0.305	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.8	39	172.4	-59.1	-40.6	0	0	0	113.8	R276 L338 G339	R276-D313 VanDerWaalsContact CA-O 3.3Å; R276-D313 WeakPolarHBondContact CA-O 3.2Å; R276-D313 HydrophobicContact CG-CB 3.45Å; R276-D313 VanDerWaalsContact CG-CB 3.45Å; R276-D313 IonicContact CZ-OD2 2.71Å; R276-D313 VanDerWaalsContact CZ-OD2 3.26Å; R276-D313 IonicContact NE-OD2 3.83Å; R276-D313 PolarHBondContact NE-OD2 3.23Å; R276-D313 IonicContact NH2-OD2 3.84Å; R276-D313 PolarHBondContact NH2-OD2 3.15Å; D313-L338 PolarHBondContact N-O 3.1Å; D313-G339 WeakPolarHBondContact OD1-CA 3.44Å
314	N	95.7	Very high	94.6	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	17%	0.17	C	C	.	.	S	Bend	trans	-94.8	3.3	179.4	-88.7	-62.9	0	0	0	113.8	V274 N277 N278 Y279 G280 Y311 S312 I316 N340	V274-N314 PolarHBondContact O-ND2 3.21Å; V274-N314 PolarHBondContact O-OD1 3.39Å; N277-N314 WeakPolarHBondContact CA-OD1 3.36Å; N277-N314 PolarHBondContact N-OD1 3.28Å; N278-N314 CarbonylContact C-O 3.58Å; N278-N314 WeakPolarHBondContact CA-O 3.47Å; N278-N314 PolarHBondContact N-OD1 3.02Å; Y279-N314 HydrophobicContact CD2-CB 4.39Å; Y279-N314 WeakPolarHBondContact CD2-OD1 3.36Å; Y279-N314 PolarHBondContact N-O 2.67Å; G280-N314 PolarHBondContact N-O 2.91Å; Y311-N314 VanDerWaalsContact C-ND2 3.3Å; Y311-N314 HydrophobicContact CD1-CB 3.88Å; Y311-N314 WeakPolarHBondContact CD1-ND2 3.19Å; Y311-N314 HydrophobicContact CE1-CB 3.91Å; Y311-N314 PolarHBondContact O-ND2 3.28Å; S312-N314 VanDerWaalsContact C-N 3.27Å; S312-N314 PolarHBondContact O-N 3.32Å; S312-N314 PolarHBondContact O-ND2 3.17Å; N314-I316 HydrophobicContact CB-CD1 4.2Å; N314-I316 HydrophobicContact CB-CG1 4.31Å; N314-I316 PolarHBondContact O-N 3.18Å; N314-N340 WeakPolarHBondContact CA-OD1 3.3Å; N314-N340 WeakPolarHBondContact CB-OD1 3.19Å; N314-N340 PolarHBondContact N-OD1 3.17Å
315	G	94.8	Very high	94.5	Very high	34 Å²	34	28.6 Å²	28.6	35%	0.351	15%	0.15	S	C	.	.			trans	68.9	17.1	-179.9	0	0	0	0	0	114	S317 N340	G315-S317 PolarHBondContact O-N 3.03Å; G315-N340 PolarHBondContact N-OD1 3.45Å
316	I	95	Very high	94.4	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.131	C	C	.	.			trans	-73.3	123	179.1	-68	163.9	0	0	0	110.1	E283 Y311 N314 N318 T321 I322 L325 N340 P341	E283-I316 WeakPolarHBondContact OE1-CG2 3.11Å; Y311-I316 HydrophobicContact CD1-CD1 3.41Å; Y311-I316 VanDerWaalsContact CD1-CD1 3.41Å; Y311-I316 HydrophobicContact CE1-CD1 3.14Å; Y311-I316 HydrophobicContact CE1-CG1 4.38Å; N314-I316 HydrophobicContact CB-CD1 4.2Å; N314-I316 HydrophobicContact CB-CG1 4.31Å; N314-I316 PolarHBondContact O-N 3.18Å; I316-N318 WeakPolarHBondContact CG2-O 3.37Å; I316-T321 HydrophobicContact CG1-CG2 4.3Å; I316-T321 HydrophobicContact CG2-CG2 4.31Å; I316-I322 HydrophobicContact CD1-CG1 4.34Å; I316-I322 HydrophobicContact CG2-CD1 4.23Å; I316-I322 HydrophobicContact CG2-CG1 3.83Å; I316-L325 HydrophobicContact CD1-CD1 3.91Å; I316-N340 HydrophobicContact CB-CB 4.38Å; I316-N340 PolarHBondContact N-OD1 2.82Å; I316-N340 VanDerWaalsContact N-OD1 3.16Å; I316-N340 WeakPolarHBondContact O-CB 3.38Å; I316-P341 WeakPolarHBondContact O-CD 3.22Å
317	S	94.5	Very high	94.1	Very high	58 Å²	58	27.3 Å²	27.3	41%	0.406	14%	0.143	S	C	.	.			trans	-102.6	-24.9	177	74.1	0	0	0	0	112.8	E283 G315 P341	E283-S317 PolarHBondContact OE1-N 3.01Å; E283-S317 PolarHBondContact OE2-N 2.9Å; E283-S317 PolarHBondContact OE2-OG 2.93Å; G315-S317 PolarHBondContact O-N 3.03Å; S317-P341 WeakPolarHBondContact CA-O 3.49Å
318	N	92.5	Very high	93.9	Very high	69 Å²	69	25.4 Å²	25.4	37%	0.369	13%	0.134	S	C	.	.			trans	-106.5	127.6	-174.1	-173	-12.4	0	0	0	112.4	E283 I316 W320 T321	E283-N318 WeakPolarHBondContact OE1-CB 3.19Å; E283-N318 PolarHBondContact OE1-N 2.97Å; I316-N318 WeakPolarHBondContact CG2-O 3.37Å; N318-W320 PolarHBondContact O-N 3.24Å; N318-W320 WeakPolarHBondContact OD1-CB 3.31Å; N318-W320 VanDerWaalsContact OD1-CD1 3.3Å; N318-W320 PolarHBondContact OD1-N 3.23Å; N318-T321 VanDerWaalsContact O-CB 3.28Å; N318-T321 WeakPolarHBondContact O-CB 3.24Å; N318-T321 PolarHBondContact O-N 3.2Å; N318-T321 VanDerWaalsContact O-N 3.11Å; N318-T321 PolarHBondContact O-OG1 3.15Å
319	W	94	Very high	93.7	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-59.7	-31	176.5	-171.6	-104.9	0	0	0	113.6	T321 I322 C323 L337 I342 I345 F392 L400 W417 M418	W319-T321 VanDerWaalsContact C-N 3.29Å; W319-T321 PolarHBondContact O-N 2.9Å; W319-I322 HydrophobicContact CD2-CD1 4.31Å; W319-I322 HydrophobicContact CE3-CD1 3.52Å; W319-I322 HydrophobicContact CZ3-CD1 3.77Å; W319-I322 WeakPolarHBondContact O-CB 3.42Å; W319-I322 PolarHBondContact O-N 2.97Å; W319-C323 PolarHBondContact O-N 2.72Å; W319-C323 PolarHBondContact O-SG 3.16Å; W319-L337 HydrophobicContact CH2-CD1 4.25Å; W319-L337 HydrophobicContact CZ3-CD1 3.91Å; W319-I342 HydrophobicContact CE3-CD1 4.46Å; W319-I345 HydrophobicContact CD2-CB 4.42Å; W319-I345 HydrophobicContact CD2-CG1 4.14Å; W319-I345 HydrophobicContact CD2-CG2 3.75Å; W319-I345 HydrophobicContact CE3-CD1 3.91Å; W319-I345 HydrophobicContact CE3-CG1 3.75Å; W319-I345 HydrophobicContact CE3-CG2 4.17Å; W319-I345 HydrophobicContact CG-CG2 4.02Å; W319-I345 HydrophobicContact CH2-CD1 4.32Å; W319-I345 HydrophobicContact CZ2-CG2 4.27Å; W319-I345 HydrophobicContact CZ3-CD1 3.78Å; W319-I345 HydrophobicContact CZ3-CG1 4.17Å; W319-F392 HydrophobicContact CZ2-CE2 4Å; W319-L400 HydrophobicContact CZ3-CD2 4.33Å; W319-W417 AromaticContact CD1-CE2 3.89Å; W319-W417 AromaticContact CD1-CZ2 3.88Å; W319-W417 AromaticContact CD1-NE1 3.93Å; W319-W417 HydrophobicContact CZ2-CG 4.47Å; W319-W417 AromaticContact NE1-CD1 3.85Å; W319-W417 AromaticContact NE1-CD2 3.72Å; W319-W417 AromaticContact NE1-CE2 3.32Å; W319-W417 VanDerWaalsContact NE1-CE2 3.32Å; W319-W417 AromaticContact NE1-CZ2 3.68Å; W319-W417 AromaticContact NE1-NE1 3.4Å; W319-M418 HydrophobicContact CH2-CE 3.84Å; W319-M418 HydrophobicContact CZ2-CE 3.93Å
320	W	91.1	Very high	93.5	Very high	52 Å²	52	27.8 Å²	27.8	20%	0.197	15%	0.15	C	C	.	.	H	α-helix	trans	-68.7	-28	177.8	-64	112	0	0	0	112.8	N318 I322 C323 R324 P346 Q349 H388 W417	N318-W320 PolarHBondContact O-N 3.24Å; N318-W320 WeakPolarHBondContact OD1-CB 3.31Å; N318-W320 VanDerWaalsContact OD1-CD1 3.3Å; N318-W320 PolarHBondContact OD1-N 3.23Å; W320-I322 VanDerWaalsContact C-N 3.34Å; W320-C323 HydrophobicContact CE3-CB 4.24Å; W320-C323 WeakPolarHBondContact O-CB 3.45Å; W320-C323 PolarHBondContact O-N 2.75Å; W320-R324 PolarHBondContact O-N 2.6Å; W320-P346 HydrophobicContact CZ2-CG 4.02Å; W320-Q349 HydrophobicContact CZ2-CG 4.44Å; W320-H388 AromaticContact CZ3-CE1 3.63Å; W320-H388 AromaticContact CZ3-ND1 3.67Å; W320-W417 HydrophobicContact CH2-CH2 4.02Å; W320-W417 HydrophobicContact CH2-CZ2 4.03Å; W320-W417 AromaticContact CZ3-CH2 3.76Å; W320-W417 HydrophobicContact CZ3-CH2 3.76Å; W320-W417 HydrophobicContact CZ3-CZ2 4.12Å
321	T	92.2	Very high	93.4	Very high	6 Å²	6	25.4 Å²	25.4	4%	0.037	14%	0.144	C	C	.	.	H	α-helix	trans	-61.3	-46.2	170.7	-49.4	0	0	0	0	109.8	E283 I316 N318 W319 C323 R324 L325	E283-T321 HydrophobicContact CG-CG2 4.13Å; E283-T321 WeakPolarHBondContact CG-OG1 3.32Å; E283-T321 WeakPolarHBondContact OE1-CB 3.1Å; E283-T321 PolarHBondContact OE1-OG1 3.14Å; I316-T321 HydrophobicContact CG1-CG2 4.3Å; I316-T321 HydrophobicContact CG2-CG2 4.31Å; N318-T321 VanDerWaalsContact O-CB 3.28Å; N318-T321 WeakPolarHBondContact O-CB 3.24Å; N318-T321 PolarHBondContact O-N 3.2Å; N318-T321 VanDerWaalsContact O-N 3.11Å; N318-T321 PolarHBondContact O-OG1 3.15Å; W319-T321 VanDerWaalsContact C-N 3.29Å; W319-T321 PolarHBondContact O-N 2.9Å; T321-C323 VanDerWaalsContact C-N 3.28Å; T321-C323 PolarHBondContact O-N 3.33Å; T321-R324 WeakPolarHBondContact O-CB 3.49Å; T321-R324 PolarHBondContact O-N 3.23Å; T321-L325 HydrophobicContact CG2-CD1 3.85Å; T321-L325 WeakPolarHBondContact O-CD1 3.04Å; T321-L325 WeakPolarHBondContact O-CG 3.35Å; T321-L325 PolarHBondContact O-N 3.23Å
322	I	93.7	Very high	93.6	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.01	14%	0.144	C	C	.	.	H	α-helix	trans	-58.6	-43.5	174.8	-58.5	166.8	0	0	0	110.2	I316 W319 W320 R324 L325 C326 L335 L337 I342 F392	I316-I322 HydrophobicContact CD1-CG1 4.34Å; I316-I322 HydrophobicContact CG2-CD1 4.23Å; I316-I322 HydrophobicContact CG2-CG1 3.83Å; W319-I322 HydrophobicContact CD2-CD1 4.31Å; W319-I322 HydrophobicContact CE3-CD1 3.52Å; W319-I322 HydrophobicContact CZ3-CD1 3.77Å; W319-I322 WeakPolarHBondContact O-CB 3.42Å; W319-I322 PolarHBondContact O-N 2.97Å; W320-I322 VanDerWaalsContact C-N 3.34Å; I322-R324 PolarHBondContact O-N 3.07Å; I322-L325 PolarHBondContact O-N 3.21Å; I322-C326 VanDerWaalsContact O-CB 3.29Å; I322-C326 WeakPolarHBondContact O-CB 3.34Å; I322-C326 PolarHBondContact O-N 3.41Å; I322-C326 PolarHBondContact O-SG 3.04Å; I322-L335 HydrophobicContact CG2-CD2 4.25Å; I322-L337 HydrophobicContact CD1-CD1 3.86Å; I322-L337 HydrophobicContact CD1-CD2 3.72Å; I322-L337 HydrophobicContact CD1-CG 4.43Å; I322-L337 HydrophobicContact CG1-CD2 3.98Å; I322-L337 HydrophobicContact CG2-CD1 4.29Å; I322-L337 HydrophobicContact CG2-CD2 4.19Å; I322-I342 HydrophobicContact CD1-CD1 3.48Å; I322-I342 VanDerWaalsContact CD1-CD1 3.48Å; I322-I342 HydrophobicContact CD1-CG1 4.27Å; I322-F392 HydrophobicContact CG2-CZ 4.2Å
323	C	93	Very high	93.8	Very high	7 Å²	7	28 Å²	28	5%	0.047	15%	0.154	C	C	.	.	H	α-helix	trans	-61	-46	177.8	-63.3	0	0	0	0	112	W319 W320 T321 L325 C326 K327 L391	W319-C323 PolarHBondContact O-N 2.72Å; W319-C323 PolarHBondContact O-SG 3.16Å; W320-C323 HydrophobicContact CE3-CB 4.24Å; W320-C323 WeakPolarHBondContact O-CB 3.45Å; W320-C323 PolarHBondContact O-N 2.75Å; T321-C323 VanDerWaalsContact C-N 3.28Å; T321-C323 PolarHBondContact O-N 3.33Å; C323-L325 VanDerWaalsContact C-N 3.32Å; C323-L325 PolarHBondContact O-N 3.32Å; C323-C326 PolarHBondContact O-N 3.34Å; C323-K327 PolarHBondContact O-N 2.77Å; C323-K327 VanDerWaalsContact O-N 3.09Å; C323-L391 HydrophobicContact CB-CD2 3.67Å
324	R	90.3	Very high	93.9	Very high	68 Å²	68	28 Å²	28	26%	0.257	15%	0.153	S	C	.	.	H	α-helix	trans	-59.6	-41.6	177	-178.6	-176.2	74.4	-156.9	16.7	112	E282 E286 W320 T321 I322 K327	E282-R324 IonicContact OE2-NH2 2.71Å; E282-R324 PolarHBondContact OE2-NH2 3.4Å; E286-R324 IonicContact OE2-CZ 3.94Å; E286-R324 VanDerWaalsContact OE2-CZ 3.3Å; E286-R324 IonicContact OE2-NH1 3.87Å; E286-R324 PolarHBondContact OE2-NH1 3.19Å; E286-R324 IonicContact OE2-NH2 3.69Å; W320-R324 PolarHBondContact O-N 2.6Å; T321-R324 WeakPolarHBondContact O-CB 3.49Å; T321-R324 PolarHBondContact O-N 3.23Å; I322-R324 PolarHBondContact O-N 3.07Å; R324-K327 WeakPolarHBondContact O-CD 3.38Å; R324-K327 WeakPolarHBondContact O-CE 3.41Å; R324-K327 WeakPolarHBondContact O-CG 3.43Å
325	L	91.5	Very high	94	Very high	2 Å²	2	28 Å²	28	1%	0.01	15%	0.153	C	C	.	.	H	α-helix	trans	-74.4	-37	-178	-63.2	161.1	0	0	0	111.3	W256 Y311 I316 T321 I322 C323	W256-L325 HydrophobicContact CB-CD2 4.15Å; W256-L325 HydrophobicContact CD2-CD2 3.66Å; W256-L325 HydrophobicContact CE3-CD2 4.46Å; W256-L325 HydrophobicContact CG-CD2 3.46Å; W256-L325 VanDerWaalsContact CG-CD2 3.46Å; W256-L325 HydrophobicContact CZ2-CB 4.2Å; W256-L325 WeakPolarHBondContact CZ2-O 3.36Å; Y311-L325 HydrophobicContact CE1-CD1 3.82Å; Y311-L325 HydrophobicContact CE2-CD1 4.45Å; Y311-L325 WeakPolarHBondContact OH-CD1 3.36Å; Y311-L325 WeakPolarHBondContact OH-CD2 3.28Å; I316-L325 HydrophobicContact CD1-CD1 3.91Å; T321-L325 HydrophobicContact CG2-CD1 3.85Å; T321-L325 WeakPolarHBondContact O-CD1 3.04Å; T321-L325 WeakPolarHBondContact O-CG 3.35Å; T321-L325 PolarHBondContact O-N 3.23Å; I322-L325 PolarHBondContact O-N 3.21Å; C323-L325 VanDerWaalsContact C-N 3.32Å; C323-L325 PolarHBondContact O-N 3.32Å
326	C	93.3	Very high	94.1	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.014	14%	0.142	C	C	.	.	H	α-helix	trans	-83.8	-8.5	-177.1	-63	0	0	0	0	114.4	I322 C323 H328 F329 F392	I322-C326 VanDerWaalsContact O-CB 3.29Å; I322-C326 WeakPolarHBondContact O-CB 3.34Å; I322-C326 PolarHBondContact O-N 3.41Å; I322-C326 PolarHBondContact O-SG 3.04Å; C323-C326 PolarHBondContact O-N 3.34Å; C326-H328 PolarHBondContact O-N 3.31Å; C326-F329 HydrophobicContact CB-CD2 4.48Å; C326-F329 PolarHBondContact O-N 3.42Å; C326-F392 HydrophobicContact CB-CE1 3.58Å; C326-F392 HydrophobicContact CB-CZ 4.11Å
327	K	91.5	Very high	94.3	Very high	63 Å²	63	27.5 Å²	27.5	27%	0.274	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-20.6	-179.6	73.8	-175.4	171.7	169.6	0	114.6	L300 C323 R324 L391	L300-K327 HydrophobicContact CD1-CD 3.71Å; L300-K327 HydrophobicContact CD1-CG 3.96Å; L300-K327 HydrophobicContact CD2-CB 4.09Å; L300-K327 HydrophobicContact CD2-CD 4.12Å; L300-K327 HydrophobicContact CD2-CG 3.86Å; L300-K327 HydrophobicContact CG-CG 4.46Å; C323-K327 PolarHBondContact O-N 2.77Å; C323-K327 VanDerWaalsContact O-N 3.09Å; R324-K327 WeakPolarHBondContact O-CD 3.38Å; R324-K327 WeakPolarHBondContact O-CE 3.41Å; R324-K327 WeakPolarHBondContact O-CG 3.43Å; K327-L391 HydrophobicContact CB-CD1 4.36Å
328	H	93	Very high	94.3	Very high	15 Å²	15	27 Å²	27	7%	0.069	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-8.8	179.8	-57.2	-73.8	0	0	0	114.3	I260 P301 V302 F303 C326 P330	I260-H328 HydrophobicContact CD1-CB 4.28Å; P301-H328 PolarHBondContact O-ND1 3.36Å; V302-H328 CarbonylContact C-O 3.58Å; V302-H328 WeakPolarHBondContact CA-O 3.49Å; F303-H328 HydrophobicContact CD2-CB 3.89Å; F303-H328 HydrophobicContact CE2-CB 4.13Å; F303-H328 PolarHBondContact N-O 3.19Å; C326-H328 PolarHBondContact O-N 3.31Å; H328-P330 VanDerWaalsContact C-CD 3.5Å; H328-P330 WeakPolarHBondContact O-CD 3.46Å
329	F	95	Very high	94.5	Very high	1 Å²	1	24.7 Å²	24.7	0%	0.004	13%	0.126	C	C	.	.			trans	-121.3	71.3	-167.2	-46.4	-52.4	0	0	0	112.7	W256 L263 F303 L306 L309 C326 G331 L332	W256-F329 AromaticContact CH2-CE2 3.95Å; W256-F329 HydrophobicContact CH2-CE2 3.95Å; W256-F329 AromaticContact CH2-CZ 3.97Å; W256-F329 HydrophobicContact CH2-CZ 3.97Å; W256-F329 AromaticContact CZ2-CE2 3.72Å; W256-F329 HydrophobicContact CZ2-CE2 3.72Å; W256-F329 AromaticContact CZ2-CZ 3.74Å; W256-F329 HydrophobicContact CZ2-CZ 3.74Å; L263-F329 HydrophobicContact CD1-CE1 3.76Å; L263-F329 HydrophobicContact CD1-CZ 4.13Å; F303-F329 HydrophobicContact CB-CD1 4.13Å; F303-F329 HydrophobicContact CB-CE1 4.3Å; F303-F329 HydrophobicContact CD2-CD1 4.22Å; F303-F329 AromaticContact CD2-CE1 3.79Å; F303-F329 HydrophobicContact CD2-CE1 3.79Å; F303-F329 HydrophobicContact CG-CE1 4.44Å; L306-F329 HydrophobicContact CB-CD1 3.98Å; L306-F329 HydrophobicContact CD2-CB 4.26Å; L306-F329 HydrophobicContact CD2-CD1 3.48Å; L306-F329 VanDerWaalsContact CD2-CD1 3.48Å; L306-F329 HydrophobicContact CD2-CD2 3.94Å; L306-F329 HydrophobicContact CD2-CE1 3.72Å; L306-F329 HydrophobicContact CD2-CE2 4.16Å; L306-F329 HydrophobicContact CD2-CG 3.61Å; L306-F329 HydrophobicContact CD2-CZ 4.06Å; L306-F329 HydrophobicContact CG-CD1 4.3Å; L309-F329 HydrophobicContact CD2-CD2 4.02Å; L309-F329 HydrophobicContact CD2-CE2 3.86Å; C326-F329 HydrophobicContact CB-CD2 4.48Å; C326-F329 PolarHBondContact O-N 3.42Å; F329-G331 PolarHBondContact O-N 3.11Å; F329-L332 HydrophobicContact CB-CB 4.03Å; F329-L332 WeakPolarHBondContact O-CB 3.49Å; F329-L332 PolarHBondContact O-N 2.94Å; F329-L332 VanDerWaalsContact O-N 3.15Å
330	P	93.3	Very high	94.6	Very high	57 Å²	57	24.7 Å²	24.7	37%	0.37	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-19.7	-178.6	27.8	-35.6	0	0	0	113.8	V302 P304 H328 N394	V302-P330 HydrophobicContact CB-CG 4.3Å; P304-P330 HydrophobicContact CB-CG 4.45Å; H328-P330 VanDerWaalsContact C-CD 3.5Å; H328-P330 WeakPolarHBondContact O-CD 3.46Å; P330-N394 PolarHBondContact O-ND2 3.01Å
331	G	94.2	Very high	94.8	Very high	14 Å²	14	24.3 Å²	24.3	14%	0.144	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	8.1	177	0	0	0	0	0	114.6	L306 H307 F329 E333	L306-G331 CarbonylContact O-C 3.39Å; H307-G331 PolarHBondContact CD2-O 3.25Å; F329-G331 PolarHBondContact O-N 3.11Å; G331-E333 PolarHBondContact O-N 2.69Å
332	L	97.1	Very high	95	Very high	3 Å²	3	24 Å²	24	2%	0.016	13%	0.129	C	C	.	.			trans	-63.9	125.4	-174.1	-167.8	71.2	0	0	0	111.7	L306 L309 F329 L335 N394 V395	L306-L332 HydrophobicContact CD2-CD1 4.24Å; L306-L332 PolarHBondContact O-N 2.91Å; L309-L332 HydrophobicContact CB-CD1 3.62Å; F329-L332 HydrophobicContact CB-CB 4.03Å; F329-L332 WeakPolarHBondContact O-CB 3.49Å; F329-L332 PolarHBondContact O-N 2.94Å; F329-L332 VanDerWaalsContact O-N 3.15Å; L332-L335 HydrophobicContact CD2-CB 4.17Å; L332-L335 HydrophobicContact CD2-CD1 4.28Å; L332-N394 CarbonylContact O-C 3.51Å; L332-N394 VanDerWaalsContact O-C 3.24Å; L332-N394 WeakPolarHBondContact O-CB 3.49Å; L332-V395 HydrophobicContact CB-CG2 4.27Å; L332-V395 HydrophobicContact CD2-CG2 4.17Å; L332-V395 HydrophobicContact CG-CG2 4.15Å; L332-V395 VanDerWaalsContact O-CG2 3.28Å; L332-V395 WeakPolarHBondContact O-CG2 3.49Å; L332-V395 PolarHBondContact O-N 2.92Å
333	E	98	Very high	95.1	Very high	76 Å²	76	29 Å²	29	36%	0.355	15%	0.152	S	C	.	.			trans	-111.6	-33.7	-177.2	-72.8	178.1	-179.2	0	0	112.1	H307 G331 V395 H396 T397	H307-E333 HydrophobicContact CB-CB 4.3Å; H307-E333 HydrophobicContact CB-CG 4.38Å; H307-E333 IonicContact CD2-OE1 3.21Å; H307-E333 WeakPolarHBondContact O-CA 2.91Å; H307-E333 PolarHBondContact O-N 3.4Å; G331-E333 PolarHBondContact O-N 2.69Å; E333-V395 WeakPolarHBondContact O-CA 3.37Å; E333-H396 PolarHBondContact O-N 3.05Å; E333-H396 IonicContact OE2-NE2 3.35Å; E333-T397 PolarHBondContact O-N 3.32Å; E333-T397 VanDerWaalsContact O-N 3.12Å
334	Q	98.2	Very high	95.2	Very high	59 Å²	59	32.4 Å²	32.4	28%	0.276	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	122.1	-178.2	-47.4	-168.2	11.2	0	0	111.2	H307 S308 L309 T397	H307-Q334 PolarHBondContact O-N 3.12Å; S308-Q334 WeakPolarHBondContact CA-O 3.39Å; L309-Q334 PolarHBondContact N-O 2.89Å; Q334-T397 WeakPolarHBondContact CA-O 3.34Å
335	L	98	Very high	95.5	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	119.2	178.6	178.9	57.5	0	0	0	110.4	L309 I322 L332 L337 F392 V395 T397 L398 G399 M418	L309-L335 HydrophobicContact CB-CD1 4.38Å; L309-L335 HydrophobicContact CD2-CD1 4.24Å; L309-L335 HydrophobicContact CG-CD1 4.46Å; I322-L335 HydrophobicContact CG2-CD2 4.25Å; L332-L335 HydrophobicContact CD2-CB 4.17Å; L332-L335 HydrophobicContact CD2-CD1 4.28Å; L335-L337 HydrophobicContact CD1-CD1 4.33Å; L335-L337 HydrophobicContact CD1-CD2 4.32Å; L335-L337 HydrophobicContact CD1-CG 4.05Å; L335-L337 HydrophobicContact CD2-CD1 3.8Å; L335-L337 HydrophobicContact CD2-CG 4.43Å; L335-L337 HydrophobicContact CG-CD1 3.81Å; L335-L337 HydrophobicContact CG-CG 3.95Å; L335-F392 HydrophobicContact CD2-CD1 4.33Å; L335-F392 HydrophobicContact CD2-CE1 3.98Å; L335-V395 HydrophobicContact CB-CG1 4.25Å; L335-T397 PolarHBondContact N-O 3.45Å; L335-L398 HydrophobicContact CB-CD1 4.18Å; L335-L398 HydrophobicContact CD2-CD1 4.29Å; L335-L398 HydrophobicContact CG-CD1 4.2Å; L335-L398 WeakPolarHBondContact O-CA 3.33Å; L335-G399 PolarHBondContact O-N 3.41Å; L335-M418 HydrophobicContact CD2-CE 4.21Å
336	I	97.8	Very high	95.6	Very high	23 Å²	23	30.1 Å²	30.1	12%	0.118	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	110.9	-173.6	-55	-59.6	0	0	0	109	L309 Y310 Y311 L338	L309-I336 PolarHBondContact O-N 3.39Å; Y310-I336 HydrophobicContact CD1-CB 3.78Å; Y310-I336 HydrophobicContact CD1-CG1 3.7Å; Y310-I336 HydrophobicContact CD1-CG2 3.91Å; Y310-I336 HydrophobicContact CE1-CB 4.34Å; Y310-I336 HydrophobicContact CE1-CG1 3.74Å; Y310-I336 HydrophobicContact CG-CB 4.34Å; Y310-I336 HydrophobicContact CG-CG1 4.42Å; Y311-I336 CarbonylContact C-O 3.51Å; Y311-I336 WeakPolarHBondContact CA-O 3.43Å; Y311-I336 WeakPolarHBondContact CB-O 3.37Å; Y311-I336 PolarHBondContact N-O 3.04Å; I336-L338 HydrophobicContact CB-CD1 4.4Å; I336-L338 HydrophobicContact CG2-CD1 3.15Å
337	L	97.2	Very high	95.6	Very high	1 Å²	1	34 Å²	34	1%	0.005	18%	0.178	C	C	.	.			trans	-121	23.3	-168.9	-72.1	161.3	0	0	0	113.1	Y311 W319 I322 L335 N340 L398 G399 L400	Y311-L337 HydrophobicContact CG-CD2 4.49Å; W319-L337 HydrophobicContact CH2-CD1 4.25Å; W319-L337 HydrophobicContact CZ3-CD1 3.91Å; I322-L337 HydrophobicContact CD1-CD1 3.86Å; I322-L337 HydrophobicContact CD1-CD2 3.72Å; I322-L337 HydrophobicContact CD1-CG 4.43Å; I322-L337 HydrophobicContact CG1-CD2 3.98Å; I322-L337 HydrophobicContact CG2-CD1 4.29Å; I322-L337 HydrophobicContact CG2-CD2 4.19Å; L335-L337 HydrophobicContact CD1-CD1 4.33Å; L335-L337 HydrophobicContact CD1-CD2 4.32Å; L335-L337 HydrophobicContact CD1-CG 4.05Å; L335-L337 HydrophobicContact CD2-CD1 3.8Å; L335-L337 HydrophobicContact CD2-CG 4.43Å; L335-L337 HydrophobicContact CG-CD1 3.81Å; L335-L337 HydrophobicContact CG-CG 3.95Å; L337-N340 PolarHBondContact O-N 3.21Å; L337-N340 PolarHBondContact O-ND2 3.42Å; L337-L398 HydrophobicContact CD1-CD1 4.24Å; L337-G399 WeakPolarHBondContact CA-O 3.48Å; L337-G399 WeakPolarHBondContact CB-O 3.36Å; L337-G399 PolarHBondContact N-O 3.04Å; L337-L400 HydrophobicContact CB-CD2 3.88Å; L337-L400 HydrophobicContact CD1-CD2 3.8Å
338	L	95.3	Very high	95.4	Very high	47 Å²	47	32.4 Å²	32.4	25%	0.246	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	144.5	-171.9	-70.6	78.7	0	0	0	112.1	S312 D313 I336 N340 S401	S312-L338 CarbonylContact C-O 3.54Å; S312-L338 WeakPolarHBondContact CA-O 3.35Å; S312-L338 VanDerWaalsContact CB-O 3.26Å; S312-L338 WeakPolarHBondContact CB-O 3.44Å; D313-L338 PolarHBondContact N-O 3.1Å; I336-L338 HydrophobicContact CB-CD1 4.4Å; I336-L338 HydrophobicContact CG2-CD1 3.15Å; L338-N340 PolarHBondContact O-N 3.31Å; L338-S401 WeakPolarHBondContact CA-O 3.43Å
339	G	95.8	Very high	94.4	Very high	20 Å²	20	37.1 Å²	37.1	21%	0.206	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.7	9.7	173.8	0	0	0	0	0	115.3	D313 S401 E402	D313-G339 WeakPolarHBondContact OD1-CA 3.44Å; G339-S401 PolarHBondContact N-O 2.99Å; G339-E402 VanDerWaalsContact CA-O 3.29Å; G339-E402 WeakPolarHBondContact CA-O 3.46Å
340	N	96.7	Very high	92.3	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.23	C	C	.	.			trans	-85.6	132.6	170.4	-73	-73.2	0	0	0	110	Y311 N314 G315 I316 L337 L338 I342 T403	Y311-N340 PolarHBondContact O-ND2 2.88Å; N314-N340 WeakPolarHBondContact CA-OD1 3.3Å; N314-N340 WeakPolarHBondContact CB-OD1 3.19Å; N314-N340 PolarHBondContact N-OD1 3.17Å; G315-N340 PolarHBondContact N-OD1 3.45Å; I316-N340 HydrophobicContact CB-CB 4.38Å; I316-N340 PolarHBondContact N-OD1 2.82Å; I316-N340 VanDerWaalsContact N-OD1 3.16Å; I316-N340 WeakPolarHBondContact O-CB 3.38Å; L337-N340 PolarHBondContact O-N 3.21Å; L337-N340 PolarHBondContact O-ND2 3.42Å; L338-N340 PolarHBondContact O-N 3.31Å; N340-I342 HydrophobicContact CB-CD1 4.06Å; N340-I342 HydrophobicContact CB-CG1 4.03Å; N340-I342 PolarHBondContact O-N 3.31Å; N340-T403 VanDerWaalsContact O-CA 3.29Å; N340-T403 WeakPolarHBondContact O-CA 3.05Å; N340-T403 WeakPolarHBondContact O-CB 3.17Å; N340-T403 VanDerWaalsContact O-CG2 3.31Å; N340-T403 WeakPolarHBondContact O-CG2 3.07Å
341	P	96.1	Very high	89.5	Confident	44 Å²	44	46.1 Å²	46.1	29%	0.286	24%	0.236	S	C	.	.			trans	-73.8	48.4	-176	32.6	-38.8	0	0	0	113.9	I316 S317 E343 L404	I316-P341 WeakPolarHBondContact O-CD 3.22Å; S317-P341 WeakPolarHBondContact CA-O 3.49Å; P341-E343 PolarHBondContact O-N 3.32Å; P341-L404 HydrophobicContact CB-CD1 3.63Å; P341-L404 HydrophobicContact CB-CG 4.23Å
342	I	96.3	Very high	86.3	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.262	C	S	.	.			trans	-75.4	114	178.9	-54.2	162.9	0	0	0	108.7	W319 I322 N340 I345 L400 T403 L404 I405	W319-I342 HydrophobicContact CE3-CD1 4.46Å; I322-I342 HydrophobicContact CD1-CD1 3.48Å; I322-I342 VanDerWaalsContact CD1-CD1 3.48Å; I322-I342 HydrophobicContact CD1-CG1 4.27Å; N340-I342 HydrophobicContact CB-CD1 4.06Å; N340-I342 HydrophobicContact CB-CG1 4.03Å; N340-I342 PolarHBondContact O-N 3.31Å; I342-I345 HydrophobicContact CG2-CG1 4.03Å; I342-L400 HydrophobicContact CD1-CD2 4.13Å; I342-T403 HydrophobicContact CD1-CG2 4.23Å; I342-L404 CarbonylContact O-C 3.6Å; I342-L404 WeakPolarHBondContact O-CA 3.36Å; I342-L404 PolarHBondContact O-N 3.4Å; I342-I405 PolarHBondContact O-N 3.26Å
343	E	96	Very high	83.1	Confident	107 Å²	107	57.9 Å²	57.9	50%	0.5	30%	0.298	S	S	.	.			trans	-90.8	-36	178.6	-66.3	-175.7	-167	0	0	113.1	P341 L404 I405 N406	P341-E343 PolarHBondContact O-N 3.32Å; E343-L404 WeakPolarHBondContact CA-O 3.37Å; E343-L404 HydrophobicContact CG-CB 3.79Å; E343-L404 HydrophobicContact CG-CD1 4.4Å; E343-I405 WeakPolarHBondContact O-CA 3.39Å; E343-N406 PolarHBondContact O-N 2.79Å; E343-N406 PolarHBondContact O-OD1 2.75Å
344	H	95.5	Very high	79.9	Confident	79 Å²	79	60.3 Å²	60.3	37%	0.366	32%	0.318	S	S	.	.			trans	-137.2	135.3	-175.3	-179.7	52.2	0	0	0	111.8	P346 Q407 S410	H344-P346 WeakPolarHBondContact NE2-CA 3.14Å; H344-Q407 VanDerWaalsContact ND1-CD 3.27Å; H344-Q407 PolarHBondContact ND1-NE2 2.87Å; H344-S410 PolarHBondContact ND1-OG 2.9Å
345	I	96.2	Very high	76.9	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	34%	0.338	C	S	.	.			trans	-110.4	106.7	169.4	-58.1	177.9	0	0	0	106.5	W319 I342 L400 I405 S410 A413 L414	W319-I345 HydrophobicContact CD2-CB 4.42Å; W319-I345 HydrophobicContact CD2-CG1 4.14Å; W319-I345 HydrophobicContact CD2-CG2 3.75Å; W319-I345 HydrophobicContact CE3-CD1 3.91Å; W319-I345 HydrophobicContact CE3-CG1 3.75Å; W319-I345 HydrophobicContact CE3-CG2 4.17Å; W319-I345 HydrophobicContact CG-CG2 4.02Å; W319-I345 HydrophobicContact CH2-CD1 4.32Å; W319-I345 HydrophobicContact CZ2-CG2 4.27Å; W319-I345 HydrophobicContact CZ3-CD1 3.78Å; W319-I345 HydrophobicContact CZ3-CG1 4.17Å; I342-I345 HydrophobicContact CG2-CG1 4.03Å; I345-L400 HydrophobicContact CD1-CD1 4.02Å; I345-I405 HydrophobicContact CD1-CD1 3.87Å; I345-S410 PolarHBondContact N-OG 2.96Å; I345-A413 HydrophobicContact CG2-CB 4.06Å; I345-A413 WeakPolarHBondContact O-CB 3.34Å; I345-L414 HydrophobicContact CD1-CD2 3.67Å; I345-L414 HydrophobicContact CG2-CD2 4.48Å
346	P	93.9	Very high	73.6	Confident	21 Å²	21	71.4 Å²	71.4	14%	0.136	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-70.3	153.8	179.2	30.1	-33.8	0	0	0	110.2	W320 H344 W417	W320-P346 HydrophobicContact CZ2-CG 4.02Å; H344-P346 WeakPolarHBondContact NE2-CA 3.14Å; P346-W417 PolarHBondContact O-NE1 3.34Å
347	F	91.7	Very high	70.8	Confident	84 Å²	84	78.3 Å²	78.3	37%	0.368	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-61.8	146.2	164.6	-71.7	-85.5	0	0	0	109.8	Q349 E409 D412 A413 E416	F347-Q349 PolarHBondContact O-N 3.38Å; F347-Q349 VanDerWaalsContact O-N 3.16Å; F347-E409 HydrophobicContact CE2-CB 4.31Å; F347-D412 HydrophobicContact CE1-CB 4.15Å; F347-D412 HydrophobicContact CZ-CB 3.72Å; F347-A413 HydrophobicContact CD1-CB 3.96Å; F347-A413 HydrophobicContact CD2-CB 4.46Å; F347-A413 HydrophobicContact CE1-CB 4.1Å; F347-A413 HydrophobicContact CG-CB 4.15Å; F347-A413 HydrophobicContact CZ-CB 4.42Å; F347-E416 HydrophobicContact CD1-CG 3.95Å; F347-E416 HydrophobicContact CE1-CG 4.17Å
348	P	88.9	Confident	67.7	Low	29 Å²	29	84.3 Å²	84.3	19%	0.188	45%	0.449	C	S	.	.	P	Polyproline II helix	trans	-54.7	122.1	171	-15.8	24.8	0	0	0	109.7	E350 E416 W417	P348-E350 PolarHBondContact O-N 2.95Å; P348-E416 HydrophobicContact CG-CB 4.05Å; P348-W417 HydrophobicContact CB-CD2 4.45Å; P348-W417 HydrophobicContact CB-CH2 4.15Å; P348-W417 HydrophobicContact CB-CZ2 4.03Å; P348-W417 HydrophobicContact CB-CZ3 4.39Å; P348-W417 HydrophobicContact CG-CD2 3.68Å; P348-W417 HydrophobicContact CG-CE3 4.08Å; P348-W417 HydrophobicContact CG-CG 4.03Å; P348-W417 HydrophobicContact CG-CH2 4.39Å; P348-W417 HydrophobicContact CG-CZ2 4.01Å; P348-W417 HydrophobicContact CG-CZ3 4.42Å
349	Q	71.4	Confident	65	Low	114 Å²	114	87.9 Å²	87.9	53%	0.533	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-71.3	120.6	-179.4	-70.8	-178.7	-12.3	0	0	110.5	W320 F347	W320-Q349 HydrophobicContact CZ2-CG 4.44Å; F347-Q349 PolarHBondContact O-N 3.38Å; F347-Q349 VanDerWaalsContact O-N 3.16Å
350	E	50	Low	62.3	Low	153 Å²	153	92.8 Å²	92.8	72%	0.715	50%	0.499	S	S	*	.			trans	-78.2	112.1	152.3	-71.3	-174.1	171.7	0	0	106.6	P348 S352	P348-E350 PolarHBondContact O-N 2.95Å; E350-S352 PolarHBondContact O-N 3.18Å
351	N	34.7	Very low	59.5	Low	94 Å²	94	99.6 Å²	99.6	50%	0.503	54%	0.536	S	S	.	.			trans	-65.4	83.8	174.2	-86.1	-13.8	0	0	0	110.3	H353	N351-H353 PolarHBondContact O-N 2.84Å
352	S	27.3	Very low	56.8	Low	98 Å²	98	105.4 Å²	105.4	69%	0.685	56%	0.564	S	S	*	*			trans	-89.8	80.5	157.4	49.7	0	0	0	0	108.4	E350 T354	E350-S352 PolarHBondContact O-N 3.18Å; S352-T354 PolarHBondContact O-N 2.78Å
353	H	29.9	Very low	54.3	Low	167 Å²	167	112.2 Å²	112.2	77%	0.773	60%	0.601	S	S	*	*			trans	-65.8	89.2	153.6	-70.1	-69.7	0	0	0	107.7	N351	N351-H353 PolarHBondContact O-N 2.84Å
354	T	31.5	Very low	51.8	Low	126 Å²	126	113.7 Å²	113.7	77%	0.773	61%	0.612	S	S	*	*			trans	-110	101.4	155.6	46.1	0	0	0	0	107.6	S352	S352-T354 PolarHBondContact O-N 2.78Å
355	S	33.9	Very low	49.3	Very low	100 Å²	100	116.4 Å²	116.4	70%	0.699	63%	0.629	S	S	*	*			trans	-36.6	134.7	162.8	-53	0	0	0	0	111.9	H357	S355-H357 PolarHBondContact O-N 3Å
356	E	30.4	Very low	46.9	Very low	192 Å²	192	123.1 Å²	123.1	90%	0.897	67%	0.665	S	S	*	*			trans	-50	109.7	152.3	-64	176.6	156.7	0	0	108.6
357	H	38.3	Very low	44.5	Very low	169 Å²	169	129.3 Å²	129.3	78%	0.782	70%	0.697	S	S	*	*			trans	-141.7	101.7	159.2	-106.4	-58.4	0	0	0	109.5	S355	S355-H357 PolarHBondContact O-N 3Å
358	T	32.9	Very low	42.3	Very low	126 Å²	126	131.9 Å²	131.9	77%	0.773	72%	0.715	S	S	*	*			trans	-52.7	132.4	156	42.6	0	0	0	0	110.3
359	T	37.9	Very low	40.2	Very low	122 Å²	122	137.9 Å²	137.9	75%	0.748	75%	0.745	S	S	*	*			trans	-178.4	102.1	148.5	35	0	0	0	0	108.1
360	T	39.9	Very low	38.9	Very low	123 Å²	123	139.8 Å²	139.8	76%	0.755	76%	0.759	S	S	*	*				33.2	106.6	101.8	50.3	0	0	0	0	115.9
361	D	36.4	Very low	38.6	Very low	144 Å²	144	138.4 Å²	138.4	77%	0.77	77%	0.766	S	S	*	*			trans	32.2	112.6	136.2	-56.3	-23.2	0	0	0	119.2
362	N	40.9	Very low	39	Very low	166 Å²	166	141.1 Å²	141.1	89%	0.888	78%	0.781	S	S	*	*				-178.7	137.6	112	-102	-42.3	0	0	0	114.6
363	N	42	Very low	39.8	Very low	142 Å²	142	144 Å²	144	76%	0.759	79%	0.789	S	S	*	*			trans	-53.7	139.4	164	-79	-43	0	0	0	113.2
364	N	44.7	Very low	40.3	Very low	139 Å²	139	143.4 Å²	143.4	74%	0.743	79%	0.791	S	S	*	*				161.4	136.9	110.2	-95	-31.3	0	0	0	114.2
365	N	43.6	Very low	40.8	Very low	136 Å²	136	144.7 Å²	144.7	73%	0.727	79%	0.793	S	S	*	*			trans	71.8	103.5	142.2	-70.1	-20.1	0	0	0	121.9
366	N	44.5	Very low	41	Very low	141 Å²	141	147.9 Å²	147.9	75%	0.754	80%	0.803	S	S	*	*				21.3	116.2	115	-76.4	-9.3	0	0	0	118.3
367	N	43.9	Very low	41.3	Very low	151 Å²	151	144.3 Å²	144.3	81%	0.807	79%	0.794	S	S	*	*				173.1	135	101.2	-93.7	-25.2	0	0	0	113.9
368	N	45.6	Very low	41.1	Very low	138 Å²	138	142.6 Å²	142.6	74%	0.738	79%	0.79	S	S	*	*			trans	-22	131.8	159.6	-67	-23.5	0	0	0	118.2
369	N	44.7	Very low	41.4	Very low	154 Å²	154	143.4 Å²	143.4	82%	0.824	79%	0.79	S	S	*	*				163	120.7	106.9	-87.1	-33.6	0	0	0	113
370	N	44.3	Very low	41.5	Very low	155 Å²	155	143.1 Å²	143.1	83%	0.829	78%	0.784	S	S	*	*			trans	29.8	106.8	137.8	-117.5	-0.3	0	0	0	119.6
371	S	42.9	Very low	41.4	Very low	123 Å²	123	142.2 Å²	142.2	86%	0.86	78%	0.779	S	S	*	*			trans	-162.4	126.4	137.3	-90.1	0	0	0	0	111.5	N373	S371-N373 PolarHBondContact O-N 3.01Å
372	N	42.8	Very low	41.4	Very low	152 Å²	152	139.6 Å²	139.6	81%	0.813	77%	0.772	S	S	*	*			trans	-41.7	130.4	166.4	-72.7	-27.5	0	0	0	112
373	N	44.9	Very low	41.2	Very low	159 Å²	159	139.1 Å²	139.1	85%	0.85	76%	0.757	S	S	*	*			trans	-158.5	124.3	139.1	-98.5	-21.9	0	0	0	110.3	S371	S371-N373 PolarHBondContact O-N 3.01Å
374	N	41.4	Very low	41	Very low	153 Å²	153	135.4 Å²	135.4	82%	0.818	74%	0.737	S	S	*	*			trans	-45.7	133	167.1	-66.3	-31.3	0	0	0	110.8
375	N	42	Very low	40.7	Very low	154 Å²	154	132 Å²	132	82%	0.824	72%	0.721	S	S	*	*			trans	-149.7	115.1	143.1	-87.2	-30.6	0	0	0	108.5	T377	N375-T377 PolarHBondContact O-N 2.92Å
376	N	37.9	Very low	40.5	Very low	167 Å²	167	128.5 Å²	128.5	89%	0.893	71%	0.707	S	S	*	*			trans	-56.8	117	161.7	-77.2	-31.5	0	0	0	109.1
377	T	36.3	Very low	40.9	Very low	117 Å²	117	127.6 Å²	127.6	72%	0.718	69%	0.694	S	S	*	*			trans	-157.6	118	154.7	36.5	0	0	0	0	108.4	N375	N375-T377 PolarHBondContact O-N 2.92Å
378	D	34.6	Very low	41.7	Very low	132 Å²	132	123.4 Å²	123.4	71%	0.706	67%	0.67	S	S	*	*			trans	79.8	74.1	150.5	-47.1	-23.7	0	0	0	119.8
379	N	38.6	Very low	42.3	Very low	143 Å²	143	122.6 Å²	122.6	77%	0.765	66%	0.661	S	S	*	*			trans	-103.9	16.6	164.9	-94.6	-17.4	0	0	0	113.9
380	N	40.1	Very low	43.6	Very low	117 Å²	117	117.7 Å²	117.7	63%	0.626	64%	0.638	S	S	*	*	S	Bend	trans	-97.4	-14.9	179.9	-79.2	-3.2	0	0	0	114.4
381	T	37.6	Very low	45.6	Very low	104 Å²	104	111.4 Å²	111.4	64%	0.638	61%	0.605	S	S	*	*	H	α-helix	trans	-78.8	-22	-178	31	0	0	0	0	114.3
382	S	36.6	Very low	48.1	Very low	89 Å²	89	105.7 Å²	105.7	62%	0.622	56%	0.564	S	S	*	*	H	α-helix	trans	-87.8	-10.9	178.8	-57.8	0	0	0	0	115.1	T385	S382-T385 PolarHBondContact O-OG1 3.3Å; S382-T385 VanDerWaalsContact O-OG1 3.06Å
383	R	36.9	Very low	50.5	Low	156 Å²	156	102.4 Å²	102.4	59%	0.589	54%	0.544	S	S	*	.	H	α-helix	trans	-77	-38.3	175.3	-79	-171.4	171.4	113.6	-2.7	111.4	T385 C386 Y387	R383-T385 VanDerWaalsContact C-N 3.26Å; R383-T385 PolarHBondContact O-N 3.12Å; R383-C386 PolarHBondContact O-SG 2.96Å; R383-C386 VanDerWaalsContact O-SG 3.41Å; R383-Y387 HydrophobicContact CB-CE2 4.24Å; R383-Y387 WeakPolarHBondContact O-CD2 3.46Å; R383-Y387 WeakPolarHBondContact O-CE2 3.37Å
384	N	38.5	Very low	52.9	Low	64 Å²	64	98 Å²	98	34%	0.342	52%	0.521	S	S	.	.	H	α-helix	trans	-68.6	-24.7	-177.1	-73.7	11.3	0	0	0	113.7	C386	N384-C386 PolarHBondContact O-N 2.88Å
385	T	37.1	Very low	55.5	Low	66 Å²	66	90.7 Å²	90.7	41%	0.405	48%	0.482	S	S	.	.	H	α-helix	trans	-73.7	-22.2	-175.4	53.5	0	0	0	0	114.2	S382 R383	S382-T385 PolarHBondContact O-OG1 3.3Å; S382-T385 VanDerWaalsContact O-OG1 3.06Å; R383-T385 VanDerWaalsContact C-N 3.26Å; R383-T385 PolarHBondContact O-N 3.12Å
386	C	40	Very low	58.2	Low	64 Å²	64	86 Å²	86	43%	0.432	46%	0.455	S	S	.	.	H	α-helix	trans	-89.5	-22.9	-179.6	73.8	0	0	0	0	113.9	R383 N384 H388 Q389	R383-C386 PolarHBondContact O-SG 2.96Å; R383-C386 VanDerWaalsContact O-SG 3.41Å; N384-C386 PolarHBondContact O-N 2.88Å; C386-H388 PolarHBondContact O-N 2.92Å; C386-Q389 PolarHBondContact O-N 3.38Å
387	Y	53.2	Low	61.1	Low	122 Å²	122	79.2 Å²	79.2	48%	0.478	42%	0.419	S	S	.	.	H	α-helix	trans	-67	-39.7	-169.9	-70.3	-64.6	0	0	0	113.1	R383 Q389 C390	R383-Y387 HydrophobicContact CB-CE2 4.24Å; R383-Y387 WeakPolarHBondContact O-CD2 3.46Å; R383-Y387 WeakPolarHBondContact O-CE2 3.37Å; Y387-Q389 VanDerWaalsContact C-N 3.34Å; Y387-Q389 PolarHBondContact O-N 3.43Å; Y387-C390 PolarHBondContact O-SG 2.79Å
388	H	59.7	Low	64	Low	63 Å²	63	73.7 Å²	73.7	29%	0.292	39%	0.385	S	S	.	.	H	α-helix	trans	-69.9	-33.3	179.7	-66.3	-61.2	0	0	0	112.6	W320 C386 C390 W417	W320-H388 AromaticContact CZ3-CE1 3.63Å; W320-H388 AromaticContact CZ3-ND1 3.67Å; C386-H388 PolarHBondContact O-N 2.92Å; H388-C390 VanDerWaalsContact C-N 3.29Å; H388-C390 PolarHBondContact O-N 2.76Å; H388-W417 HydrophobicContact CB-CH2 4.23Å; H388-W417 HydrophobicContact CB-CZ3 4.17Å; H388-W417 WeakPolarHBondContact O-CZ3 3.14Å
389	Q	58.6	Low	67	Low	120 Å²	120	67.4 Å²	67.4	56%	0.561	35%	0.352	S	S	*	.	H	α-helix	trans	-69.8	-24.1	-177.8	-75.2	177	-14.8	0	0	113.3	C386 Y387	C386-Q389 PolarHBondContact O-N 3.38Å; Y387-Q389 VanDerWaalsContact C-N 3.34Å; Y387-Q389 PolarHBondContact O-N 3.43Å
390	C	72.1	Confident	69.8	Low	51 Å²	51	60.6 Å²	60.6	35%	0.345	32%	0.315	S	S	.	.	H	α-helix	trans	-99.8	-8.5	-179.1	63.5	0	0	0	0	114.8	Y387 H388 F392 Q393	Y387-C390 PolarHBondContact O-SG 2.79Å; H388-C390 VanDerWaalsContact C-N 3.29Å; H388-C390 PolarHBondContact O-N 2.76Å; C390-F392 PolarHBondContact O-N 2.62Å; C390-Q393 WeakPolarHBondContact O-CG 3.22Å; C390-Q393 PolarHBondContact O-N 3.22Å
391	L	86.7	Confident	72.5	Confident	24 Å²	24	55.9 Å²	55.9	13%	0.126	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-42	-166.2	-175.6	61.4	0	0	0	113.8	C323 K327	C323-L391 HydrophobicContact CB-CD2 3.67Å; K327-L391 HydrophobicContact CB-CD1 4.36Å
392	F	94.3	Very high	75.2	Confident	2 Å²	2	55.4 Å²	55.4	1%	0.009	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.7	24.7	-178.4	-51	-63.1	0	0	0	112.7	W319 I322 C326 L335 C390 N394 V395 W417 M418	W319-F392 HydrophobicContact CZ2-CE2 4Å; I322-F392 HydrophobicContact CG2-CZ 4.2Å; C326-F392 HydrophobicContact CB-CE1 3.58Å; C326-F392 HydrophobicContact CB-CZ 4.11Å; L335-F392 HydrophobicContact CD2-CD1 4.33Å; L335-F392 HydrophobicContact CD2-CE1 3.98Å; C390-F392 PolarHBondContact O-N 2.62Å; F392-N394 PolarHBondContact O-N 2.77Å; F392-N394 VanDerWaalsContact O-N 3.14Å; F392-V395 HydrophobicContact CB-CB 4.17Å; F392-V395 HydrophobicContact CB-CG2 3.81Å; F392-V395 HydrophobicContact CD1-CG2 4.06Å; F392-V395 HydrophobicContact CG-CG2 4.4Å; F392-V395 WeakPolarHBondContact O-CB 3.45Å; F392-V395 PolarHBondContact O-N 3.31Å; F392-W417 HydrophobicContact CD2-CB 4.35Å; F392-W417 HydrophobicContact CD2-CD2 4.34Å; F392-W417 AromaticContact CD2-CE3 3.74Å; F392-W417 HydrophobicContact CD2-CE3 3.74Å; F392-W417 HydrophobicContact CD2-CZ3 4.45Å; F392-W417 AromaticContact CE2-CE3 3.97Å; F392-W417 HydrophobicContact CE2-CE3 3.97Å; F392-W417 HydrophobicContact CE2-CZ3 4.35Å; F392-M418 HydrophobicContact CB-CE 4.23Å; F392-M418 HydrophobicContact CB-CG 3.7Å; F392-M418 HydrophobicContact CD2-CE 4.17Å; F392-M418 HydrophobicContact CG-CE 4.1Å; F392-M418 HydrophobicContact CG-CG 4.49Å
393	Q	92.7	Very high	78.1	Confident	84 Å²	84	51.4 Å²	51.4	39%	0.393	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-31.3	-174.7	69.7	-174.5	2.4	0	0	113.9	C390 S420	C390-Q393 WeakPolarHBondContact O-CG 3.22Å; C390-Q393 PolarHBondContact O-N 3.22Å; Q393-S420 WeakPolarHBondContact O-CB 3.38Å; Q393-S420 PolarHBondContact O-OG 3.44Å
394	N	95.5	Very high	81	Confident	66 Å²	66	47.5 Å²	47.5	35%	0.353	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-10	-178.4	-65.9	-39.5	0	0	0	112.8	P330 L332 F392 H396	P330-N394 PolarHBondContact O-ND2 3.01Å; L332-N394 CarbonylContact O-C 3.51Å; L332-N394 VanDerWaalsContact O-C 3.24Å; L332-N394 WeakPolarHBondContact O-CB 3.49Å; F392-N394 PolarHBondContact O-N 2.77Å; F392-N394 VanDerWaalsContact O-N 3.14Å; N394-H396 PolarHBondContact O-N 3.01Å; N394-H396 VanDerWaalsContact O-N 3.14Å
395	V	97.4	Very high	83.8	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.228	C	C	.	.			trans	-69	115.9	-178.2	178.9	0	0	0	0	108.9	L332 E333 L335 F392 M418 S420 L421	L332-V395 HydrophobicContact CB-CG2 4.27Å; L332-V395 HydrophobicContact CD2-CG2 4.17Å; L332-V395 HydrophobicContact CG-CG2 4.15Å; L332-V395 VanDerWaalsContact O-CG2 3.28Å; L332-V395 WeakPolarHBondContact O-CG2 3.49Å; L332-V395 PolarHBondContact O-N 2.92Å; E333-V395 WeakPolarHBondContact O-CA 3.37Å; L335-V395 HydrophobicContact CB-CG1 4.25Å; F392-V395 HydrophobicContact CB-CB 4.17Å; F392-V395 HydrophobicContact CB-CG2 3.81Å; F392-V395 HydrophobicContact CD1-CG2 4.06Å; F392-V395 HydrophobicContact CG-CG2 4.4Å; F392-V395 WeakPolarHBondContact O-CB 3.45Å; F392-V395 PolarHBondContact O-N 3.31Å; V395-M418 HydrophobicContact CB-CG 4.19Å; V395-M418 HydrophobicContact CB-SD 4.17Å; V395-M418 HydrophobicContact CG1-CE 4.42Å; V395-M418 HydrophobicContact CG1-CG 4.33Å; V395-M418 HydrophobicContact CG1-SD 3.67Å; V395-S420 CarbonylContact O-C 3.26Å; V395-L421 PolarHBondContact O-N 3.44Å
396	H	97.6	Very high	86.6	Confident	55 Å²	55	44.9 Å²	44.9	26%	0.255	23%	0.228	S	C	.	.			trans	-115.9	-14.5	177.4	66	77.1	0	0	0	112.6	E333 N394 S420 T422 N423	E333-H396 PolarHBondContact O-N 3.05Å; E333-H396 IonicContact OE2-NE2 3.35Å; N394-H396 PolarHBondContact O-N 3.01Å; N394-H396 VanDerWaalsContact O-N 3.14Å; H396-S420 WeakPolarHBondContact CA-O 3.18Å; H396-S420 WeakPolarHBondContact CB-O 3.47Å; H396-T422 PolarHBondContact O-N 2.93Å; H396-T422 PolarHBondContact O-OG1 3.3Å; H396-N423 PolarHBondContact O-N 3.02Å
397	T	98.3	Very high	89.3	Confident	25 Å²	25	44.7 Å²	44.7	15%	0.153	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	122	173.9	-56.1	0	0	0	0	111.2	E333 Q334 L335 N423	E333-T397 PolarHBondContact O-N 3.32Å; E333-T397 VanDerWaalsContact O-N 3.12Å; Q334-T397 WeakPolarHBondContact CA-O 3.34Å; L335-T397 PolarHBondContact N-O 3.45Å; T397-N423 CarbonylContact C-O 3.11Å; T397-N423 WeakPolarHBondContact CA-O 3.43Å; T397-N423 HydrophobicContact CG2-CB 4.15Å
398	L	98.2	Very high	91.3	Very high	1 Å²	1	40 Å²	40	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	131.1	178.6	-176.7	63.6	0	0	0	111.8	L335 L337 L400 L414 M418 L421 N423 L424 R425	L335-L398 HydrophobicContact CB-CD1 4.18Å; L335-L398 HydrophobicContact CD2-CD1 4.29Å; L335-L398 HydrophobicContact CG-CD1 4.2Å; L335-L398 WeakPolarHBondContact O-CA 3.33Å; L337-L398 HydrophobicContact CD1-CD1 4.24Å; L398-L400 HydrophobicContact CD1-CD1 4.42Å; L398-L400 HydrophobicContact CD1-CG 4.16Å; L398-L400 HydrophobicContact CD2-CD1 3.48Å; L398-L400 VanDerWaalsContact CD2-CD1 3.48Å; L398-L400 HydrophobicContact CD2-CG 4.06Å; L398-L400 HydrophobicContact CG-CD1 3.94Å; L398-L400 HydrophobicContact CG-CG 3.94Å; L398-L414 HydrophobicContact CD2-CD1 4.05Å; L398-L414 HydrophobicContact CD2-CD2 3.7Å; L398-L414 HydrophobicContact CD2-CG 4.42Å; L398-M418 HydrophobicContact CB-SD 4.24Å; L398-M418 HydrophobicContact CD1-CE 3.9Å; L398-M418 HydrophobicContact CD1-SD 4.13Å; L398-M418 HydrophobicContact CD2-CE 4.03Å; L398-M418 HydrophobicContact CD2-SD 3.67Å; L398-M418 HydrophobicContact CG-SD 4.23Å; L398-L421 HydrophobicContact CB-CD1 3.6Å; L398-N423 PolarHBondContact N-O 3.2Å; L398-L424 HydrophobicContact CB-CD1 3.92Å; L398-L424 HydrophobicContact CD2-CD1 3.85Å; L398-L424 HydrophobicContact CG-CD1 4.02Å; L398-L424 WeakPolarHBondContact O-CA 3.32Å; L398-R425 PolarHBondContact O-N 2.99Å
399	G	97.8	Very high	93	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	118.9	170.3	0	0	0	0	0	111.8	L335 L337	L335-G399 PolarHBondContact O-N 3.41Å; L337-G399 WeakPolarHBondContact CA-O 3.48Å; L337-G399 WeakPolarHBondContact CB-O 3.36Å; L337-G399 PolarHBondContact N-O 3.04Å
400	L	97.4	Very high	94.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.182	C	C	.	.			trans	-131.6	18.8	179.6	-71.7	167.9	0	0	0	112.1	W319 L337 I342 I345 L398 T403 I405 L414 R425 L426	W319-L400 HydrophobicContact CZ3-CD2 4.33Å; L337-L400 HydrophobicContact CB-CD2 3.88Å; L337-L400 HydrophobicContact CD1-CD2 3.8Å; I342-L400 HydrophobicContact CD1-CD2 4.13Å; I345-L400 HydrophobicContact CD1-CD1 4.02Å; L398-L400 HydrophobicContact CD1-CD1 4.42Å; L398-L400 HydrophobicContact CD1-CG 4.16Å; L398-L400 HydrophobicContact CD2-CD1 3.48Å; L398-L400 VanDerWaalsContact CD2-CD1 3.48Å; L398-L400 HydrophobicContact CD2-CG 4.06Å; L398-L400 HydrophobicContact CG-CD1 3.94Å; L398-L400 HydrophobicContact CG-CG 3.94Å; L400-T403 HydrophobicContact CB-CG2 4.18Å; L400-T403 HydrophobicContact CD2-CG2 4.08Å; L400-T403 WeakPolarHBondContact O-CB 3.23Å; L400-T403 WeakPolarHBondContact O-CG2 3.47Å; L400-T403 PolarHBondContact O-N 3.32Å; L400-T403 PolarHBondContact O-OG1 3.27Å; L400-I405 HydrophobicContact CB-CD1 4.49Å; L400-I405 HydrophobicContact CD1-CD1 4.13Å; L400-L414 HydrophobicContact CD1-CD1 4.09Å; L400-L414 HydrophobicContact CD1-CD2 4.03Å; L400-R425 PolarHBondContact N-O 2.8Å; L400-L426 HydrophobicContact CB-CD2 3.87Å; L400-L426 HydrophobicContact CD1-CD2 4.18Å
401	S	95.7	Very high	96	Very high	18 Å²	18	33.3 Å²	33.3	13%	0.126	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	146.8	174.3	-54.4	0	0	0	0	111.1	L338 G339 T403 R425 L426 G427	L338-S401 WeakPolarHBondContact CA-O 3.43Å; G339-S401 PolarHBondContact N-O 2.99Å; S401-T403 PolarHBondContact O-N 3.28Å; S401-R425 PolarHBondContact N-O 2.83Å; S401-L426 WeakPolarHBondContact CA-O 3.21Å; S401-G427 PolarHBondContact OG-N 2.62Å
402	E	95.4	Very high	96.3	Very high	94 Å²	94	33.2 Å²	33.2	44%	0.439	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.2	25.9	178	-56.3	168.7	-147.9	0	0	113.5	Y147 G339	Y147-E402 PolarHBondContact OH-OE1 3.49Å; G339-E402 VanDerWaalsContact CA-O 3.29Å; G339-E402 WeakPolarHBondContact CA-O 3.46Å
403	T	96.7	Very high	96.4	Very high	5 Å²	5	33.1 Å²	33.1	3%	0.031	17%	0.165	C	C	.	.			trans	-87.8	178.3	165.6	60	0	0	0	0	110.8	N340 I342 L400 S401 L430	N340-T403 VanDerWaalsContact O-CA 3.29Å; N340-T403 WeakPolarHBondContact O-CA 3.05Å; N340-T403 WeakPolarHBondContact O-CB 3.17Å; N340-T403 VanDerWaalsContact O-CG2 3.31Å; N340-T403 WeakPolarHBondContact O-CG2 3.07Å; I342-T403 HydrophobicContact CD1-CG2 4.23Å; L400-T403 HydrophobicContact CB-CG2 4.18Å; L400-T403 HydrophobicContact CD2-CG2 4.08Å; L400-T403 WeakPolarHBondContact O-CB 3.23Å; L400-T403 WeakPolarHBondContact O-CG2 3.47Å; L400-T403 PolarHBondContact O-N 3.32Å; L400-T403 PolarHBondContact O-OG1 3.27Å; S401-T403 PolarHBondContact O-N 3.28Å; T403-L430 VanDerWaalsContact O-CD2 3.28Å; T403-L430 WeakPolarHBondContact O-CD2 3.25Å; T403-L430 WeakPolarHBondContact OG1-CD2 3.5Å
404	L	97.3	Very high	96.6	Very high	74 Å²	74	29.1 Å²	29.1	39%	0.387	15%	0.146	S	C	.	.			trans	-106	21.9	-179.2	-62.7	-179.9	0	0	0	113.1	P341 I342 E343 N406	P341-L404 HydrophobicContact CB-CD1 3.63Å; P341-L404 HydrophobicContact CB-CG 4.23Å; I342-L404 CarbonylContact O-C 3.6Å; I342-L404 WeakPolarHBondContact O-CA 3.36Å; I342-L404 PolarHBondContact O-N 3.4Å; E343-L404 WeakPolarHBondContact CA-O 3.37Å; E343-L404 HydrophobicContact CG-CB 3.79Å; E343-L404 HydrophobicContact CG-CD1 4.4Å; L404-N406 PolarHBondContact O-N 3Å
405	I	97.8	Very high	96.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.14	C	C	.	.			trans	-56.8	117.3	-176.2	-64	170.7	0	0	0	110.1	I342 E343 I345 L400 I411 L430 P431 V432	I342-I405 PolarHBondContact O-N 3.26Å; E343-I405 WeakPolarHBondContact O-CA 3.39Å; I345-I405 HydrophobicContact CD1-CD1 3.87Å; L400-I405 HydrophobicContact CB-CD1 4.49Å; L400-I405 HydrophobicContact CD1-CD1 4.13Å; I405-I411 HydrophobicContact CG2-CD1 4.21Å; I405-L430 HydrophobicContact CB-CD1 4.35Å; I405-P431 WeakPolarHBondContact O-CD 3.49Å; I405-V432 HydrophobicContact CG2-CG1 4.35Å; I405-V432 WeakPolarHBondContact O-CB 3.43Å; I405-V432 PolarHBondContact O-N 3.46Å
406	N	96.4	Very high	96.1	Very high	75 Å²	75	33.2 Å²	33.2	40%	0.401	17%	0.165	S	C	.	.			trans	-113.6	1.8	-169.4	63.2	15.7	0	0	0	114.8	E343 L404 P431	E343-N406 PolarHBondContact O-N 2.79Å; E343-N406 PolarHBondContact O-OD1 2.75Å; L404-N406 PolarHBondContact O-N 3Å; N406-P431 HydrophobicContact CB-CB 3.99Å
407	Q	95.6	Very high	96	Very high	60 Å²	60	30.8 Å²	30.8	28%	0.28	15%	0.153	S	C	.	.			trans	-144.7	150.1	-176.5	69.1	-164.2	-74.2	0	0	112	H344 E409 S410	H344-Q407 VanDerWaalsContact ND1-CD 3.27Å; H344-Q407 PolarHBondContact ND1-NE2 2.87Å; Q407-E409 VanDerWaalsContact C-N 3.32Å; Q407-E409 WeakPolarHBondContact CB-OE2 3.5Å; Q407-E409 HydrophobicContact CG-CB 4.37Å; Q407-E409 PolarHBondContact O-N 3.42Å; Q407-S410 WeakPolarHBondContact CG-OG 3.46Å; Q407-S410 PolarHBondContact O-N 3.16Å
408	W	95.5	Very high	95.9	Very high	23 Å²	23	29.6 Å²	29.6	9%	0.087	15%	0.146	C	C	.	.	H	α-helix	trans	-74.2	-25.3	-175.5	-77	107	0	0	0	112.9	S410 I411 D412 V432 F433 W436 H444 V445	W408-S410 PolarHBondContact O-N 3.16Å; W408-I411 HydrophobicContact CE3-CB 4.41Å; W408-I411 HydrophobicContact CE3-CG1 4.13Å; W408-I411 WeakPolarHBondContact O-CA 3.49Å; W408-I411 WeakPolarHBondContact O-CB 3.39Å; W408-I411 PolarHBondContact O-N 3.23Å; W408-D412 PolarHBondContact O-N 3.25Å; W408-V432 HydrophobicContact CD2-CG2 3.74Å; W408-V432 HydrophobicContact CE3-CG2 4.33Å; W408-V432 HydrophobicContact CG-CG2 3.81Å; W408-V432 HydrophobicContact CZ2-CG2 4.35Å; W408-F433 HydrophobicContact CH2-CD1 4Å; W408-F433 AromaticContact CH2-CE1 3.77Å; W408-F433 HydrophobicContact CH2-CE1 3.77Å; W408-F433 HydrophobicContact CZ2-CD1 4.35Å; W408-F433 HydrophobicContact CZ3-CE1 4.1Å; W408-W436 HydrophobicContact CZ2-CD2 4.26Å; W408-W436 HydrophobicContact CZ2-CG 4.43Å; W408-W436 HydrophobicContact CZ2-CZ2 4.44Å; W408-W436 AromaticContact CZ2-NE1 3.98Å; W408-W436 AromaticContact NE1-CE2 3.72Å; W408-W436 AromaticContact NE1-CZ2 3.76Å; W408-W436 AromaticContact NE1-NE1 3.48Å; W408-H444 HydrophobicContact CH2-CB 3.45Å; W408-H444 VanDerWaalsContact CH2-CB 3.45Å; W408-H444 HydrophobicContact CZ2-CB 3.94Å; W408-H444 HydrophobicContact CZ3-CB 3.78Å; W408-V445 HydrophobicContact CH2-CG2 4.3Å; W408-V445 HydrophobicContact CZ3-CG2 3.84Å
409	E	95.1	Very high	95.6	Very high	94 Å²	94	31.9 Å²	31.9	44%	0.439	16%	0.161	S	C	.	.	H	α-helix	trans	-58.8	-34.5	176.5	-68.5	74.7	-172.1	0	0	110.9	F347 Q407 I411 D412 A413	F347-E409 HydrophobicContact CE2-CB 4.31Å; Q407-E409 VanDerWaalsContact C-N 3.32Å; Q407-E409 WeakPolarHBondContact CB-OE2 3.5Å; Q407-E409 HydrophobicContact CG-CB 4.37Å; Q407-E409 PolarHBondContact O-N 3.42Å; E409-I411 VanDerWaalsContact C-N 3.28Å; E409-I411 PolarHBondContact O-N 3.28Å; E409-D412 PolarHBondContact O-N 3.04Å; E409-A413 WeakPolarHBondContact O-CB 3.43Å; E409-A413 PolarHBondContact O-N 3.24Å
410	S	97	Very high	95.5	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-62.7	-35.5	172.8	-60.6	0	0	0	0	112.1	H344 I345 Q407 W408 L414	H344-S410 PolarHBondContact ND1-OG 2.9Å; I345-S410 PolarHBondContact N-OG 2.96Å; Q407-S410 WeakPolarHBondContact CG-OG 3.46Å; Q407-S410 PolarHBondContact O-N 3.16Å; W408-S410 PolarHBondContact O-N 3.16Å; S410-L414 WeakPolarHBondContact O-CG 3.42Å
411	I	96.6	Very high	95.5	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-74	-38.4	176.3	-52.4	-54.7	0	0	0	110.4	I405 W408 E409 A413 L414 L426 L449	I405-I411 HydrophobicContact CG2-CD1 4.21Å; W408-I411 HydrophobicContact CE3-CB 4.41Å; W408-I411 HydrophobicContact CE3-CG1 4.13Å; W408-I411 WeakPolarHBondContact O-CA 3.49Å; W408-I411 WeakPolarHBondContact O-CB 3.39Å; W408-I411 PolarHBondContact O-N 3.23Å; E409-I411 VanDerWaalsContact C-N 3.28Å; E409-I411 PolarHBondContact O-N 3.28Å; I411-A413 VanDerWaalsContact C-N 3.33Å; I411-L414 HydrophobicContact CD1-CD1 4.38Å; I411-L414 WeakPolarHBondContact O-CB 3.19Å; I411-L414 PolarHBondContact O-N 3.38Å; I411-L426 HydrophobicContact CD1-CD1 3.81Å; I411-L426 HydrophobicContact CD1-CD2 4.28Å; I411-L449 HydrophobicContact CG2-CD1 4.24Å; I411-L449 HydrophobicContact CG2-CG 4.43Å
412	D	95	Very high	95.6	Very high	21 Å²	21	35.6 Å²	35.6	11%	0.112	19%	0.185	C	C	.	.	H	α-helix	trans	-62.4	-41	174.2	-67.9	-29.8	0	0	0	111.4	F347 W408 E409 L414 N415 R448	F347-D412 HydrophobicContact CE1-CB 4.15Å; F347-D412 HydrophobicContact CZ-CB 3.72Å; W408-D412 PolarHBondContact O-N 3.25Å; E409-D412 PolarHBondContact O-N 3.04Å; D412-L414 PolarHBondContact O-N 3Å; D412-N415 PolarHBondContact O-N 3.24Å; D412-N415 VanDerWaalsContact O-N 3.16Å; D412-R448 VanDerWaalsContact OD1-CD 3.25Å; D412-R448 WeakPolarHBondContact OD1-CD 3.2Å; D412-R448 VanDerWaalsContact OD1-CG 3.25Å; D412-R448 WeakPolarHBondContact OD1-CG 3.25Å; D412-R448 IonicContact OD1-CZ 2.76Å; D412-R448 IonicContact OD1-NE 2.79Å; D412-R448 IonicContact OD1-NH1 3.99Å; D412-R448 PolarHBondContact OD1-NH1 3Å; D412-R448 IonicContact OD2-CZ 2.82Å; D412-R448 IonicContact OD2-NH1 3.83Å; D412-R448 PolarHBondContact OD2-NH1 3.33Å
413	A	95.3	Very high	95.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-60.6	-28.1	177.8	0	0	0	0	0	113.1	I345 F347 E409 I411 N415 E416 W417	I345-A413 HydrophobicContact CG2-CB 4.06Å; I345-A413 WeakPolarHBondContact O-CB 3.34Å; F347-A413 HydrophobicContact CD1-CB 3.96Å; F347-A413 HydrophobicContact CD2-CB 4.46Å; F347-A413 HydrophobicContact CE1-CB 4.1Å; F347-A413 HydrophobicContact CG-CB 4.15Å; F347-A413 HydrophobicContact CZ-CB 4.42Å; E409-A413 WeakPolarHBondContact O-CB 3.43Å; E409-A413 PolarHBondContact O-N 3.24Å; I411-A413 VanDerWaalsContact C-N 3.33Å; A413-N415 VanDerWaalsContact C-N 3.25Å; A413-N415 PolarHBondContact O-N 3.46Å; A413-E416 PolarHBondContact O-N 3.07Å; A413-E416 VanDerWaalsContact O-N 3.1Å; A413-W417 VanDerWaalsContact O-CD1 3.24Å; A413-W417 PolarHBondContact O-N 3.17Å
414	L	96	Very high	95.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-59.4	-35.9	176.5	-62	179.9	0	0	0	112.5	I345 L398 L400 S410 I411 D412 E416 M418 L421 L424 L449	I345-L414 HydrophobicContact CD1-CD2 3.67Å; I345-L414 HydrophobicContact CG2-CD2 4.48Å; L398-L414 HydrophobicContact CD2-CD1 4.05Å; L398-L414 HydrophobicContact CD2-CD2 3.7Å; L398-L414 HydrophobicContact CD2-CG 4.42Å; L400-L414 HydrophobicContact CD1-CD1 4.09Å; L400-L414 HydrophobicContact CD1-CD2 4.03Å; S410-L414 WeakPolarHBondContact O-CG 3.42Å; I411-L414 HydrophobicContact CD1-CD1 4.38Å; I411-L414 WeakPolarHBondContact O-CB 3.19Å; I411-L414 PolarHBondContact O-N 3.38Å; D412-L414 PolarHBondContact O-N 3Å; L414-E416 VanDerWaalsContact C-N 3.27Å; L414-E416 PolarHBondContact O-N 3.12Å; L414-M418 WeakPolarHBondContact O-CB 3.46Å; L414-M418 PolarHBondContact O-N 3.35Å; L414-L421 HydrophobicContact CB-CD2 4.3Å; L414-L424 HydrophobicContact CD1-CD1 4.31Å; L414-L424 HydrophobicContact CD1-CD2 4.34Å; L414-L449 HydrophobicContact CB-CD2 4.35Å
415	N	92.5	Very high	95.8	Very high	41 Å²	41	35.6 Å²	35.6	22%	0.219	18%	0.179	C	C	.	.	H	α-helix	trans	-66.6	-30.6	178.5	-178	73.2	0	0	0	112.4	D412 A413 L449 P450	D412-N415 PolarHBondContact O-N 3.24Å; D412-N415 VanDerWaalsContact O-N 3.16Å; A413-N415 VanDerWaalsContact C-N 3.25Å; A413-N415 PolarHBondContact O-N 3.46Å; N415-L449 HydrophobicContact CB-CD2 3.85Å; N415-P450 WeakPolarHBondContact OD1-CD 3.24Å; N415-P450 WeakPolarHBondContact OD1-CG 3.28Å
416	E	91.8	Very high	95.8	Very high	111 Å²	111	35.6 Å²	35.6	52%	0.519	18%	0.179	S	C	.	.	H	α-helix	trans	-81.9	-40.4	178.3	-58.7	-52.7	136.3	0	0	111.7	F347 P348 A413 L414	F347-E416 HydrophobicContact CD1-CG 3.95Å; F347-E416 HydrophobicContact CE1-CG 4.17Å; P348-E416 HydrophobicContact CG-CB 4.05Å; A413-E416 PolarHBondContact O-N 3.07Å; A413-E416 VanDerWaalsContact O-N 3.1Å; L414-E416 VanDerWaalsContact C-N 3.27Å; L414-E416 PolarHBondContact O-N 3.12Å
417	W	94.4	Very high	95.6	Very high	4 Å²	4	32.9 Å²	32.9	2%	0.015	17%	0.168	C	C	.	.	H	α-helix	trans	-67.3	-40.4	175.2	-78.9	111.3	0	0	0	112.9	W319 W320 P346 P348 H388 F392 A413 P419	W319-W417 AromaticContact CD1-CE2 3.89Å; W319-W417 AromaticContact CD1-CZ2 3.88Å; W319-W417 AromaticContact CD1-NE1 3.93Å; W319-W417 HydrophobicContact CZ2-CG 4.47Å; W319-W417 AromaticContact NE1-CD1 3.85Å; W319-W417 AromaticContact NE1-CD2 3.72Å; W319-W417 AromaticContact NE1-CE2 3.32Å; W319-W417 VanDerWaalsContact NE1-CE2 3.32Å; W319-W417 AromaticContact NE1-CZ2 3.68Å; W319-W417 AromaticContact NE1-NE1 3.4Å; W320-W417 HydrophobicContact CH2-CH2 4.02Å; W320-W417 HydrophobicContact CH2-CZ2 4.03Å; W320-W417 AromaticContact CZ3-CH2 3.76Å; W320-W417 HydrophobicContact CZ3-CH2 3.76Å; W320-W417 HydrophobicContact CZ3-CZ2 4.12Å; P346-W417 PolarHBondContact O-NE1 3.34Å; P348-W417 HydrophobicContact CB-CD2 4.45Å; P348-W417 HydrophobicContact CB-CH2 4.15Å; P348-W417 HydrophobicContact CB-CZ2 4.03Å; P348-W417 HydrophobicContact CB-CZ3 4.39Å; P348-W417 HydrophobicContact CG-CD2 3.68Å; P348-W417 HydrophobicContact CG-CE3 4.08Å; P348-W417 HydrophobicContact CG-CG 4.03Å; P348-W417 HydrophobicContact CG-CH2 4.39Å; P348-W417 HydrophobicContact CG-CZ2 4.01Å; P348-W417 HydrophobicContact CG-CZ3 4.42Å; H388-W417 HydrophobicContact CB-CH2 4.23Å; H388-W417 HydrophobicContact CB-CZ3 4.17Å; H388-W417 WeakPolarHBondContact O-CZ3 3.14Å; F392-W417 HydrophobicContact CD2-CB 4.35Å; F392-W417 HydrophobicContact CD2-CD2 4.34Å; F392-W417 AromaticContact CD2-CE3 3.74Å; F392-W417 HydrophobicContact CD2-CE3 3.74Å; F392-W417 HydrophobicContact CD2-CZ3 4.45Å; F392-W417 AromaticContact CE2-CE3 3.97Å; F392-W417 HydrophobicContact CE2-CE3 3.97Å; F392-W417 HydrophobicContact CE2-CZ3 4.35Å; A413-W417 VanDerWaalsContact O-CD1 3.24Å; A413-W417 PolarHBondContact O-N 3.17Å; W417-P419 WeakPolarHBondContact O-CD 3.42Å
418	M	95.3	Very high	95.5	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	18%	0.181	C	C	.	.			trans	-127.6	73.5	-168.7	-59.7	175.9	-166.4	0	0	110.4	W319 L335 F392 V395 L398 L414 S420 L421	W319-M418 HydrophobicContact CH2-CE 3.84Å; W319-M418 HydrophobicContact CZ2-CE 3.93Å; L335-M418 HydrophobicContact CD2-CE 4.21Å; F392-M418 HydrophobicContact CB-CE 4.23Å; F392-M418 HydrophobicContact CB-CG 3.7Å; F392-M418 HydrophobicContact CD2-CE 4.17Å; F392-M418 HydrophobicContact CG-CE 4.1Å; F392-M418 HydrophobicContact CG-CG 4.49Å; V395-M418 HydrophobicContact CB-CG 4.19Å; V395-M418 HydrophobicContact CB-SD 4.17Å; V395-M418 HydrophobicContact CG1-CE 4.42Å; V395-M418 HydrophobicContact CG1-CG 4.33Å; V395-M418 HydrophobicContact CG1-SD 3.67Å; L398-M418 HydrophobicContact CB-SD 4.24Å; L398-M418 HydrophobicContact CD1-CE 3.9Å; L398-M418 HydrophobicContact CD1-SD 4.13Å; L398-M418 HydrophobicContact CD2-CE 4.03Å; L398-M418 HydrophobicContact CD2-SD 3.67Å; L398-M418 HydrophobicContact CG-SD 4.23Å; L414-M418 WeakPolarHBondContact O-CB 3.46Å; L414-M418 PolarHBondContact O-N 3.35Å; M418-S420 PolarHBondContact O-N 2.79Å; M418-L421 HydrophobicContact CB-CB 3.96Å; M418-L421 VanDerWaalsContact O-CB 3.25Å; M418-L421 WeakPolarHBondContact O-CB 3.29Å; M418-L421 PolarHBondContact O-N 2.73Å
419	P	92.8	Very high	95.3	Very high	48 Å²	48	38.9 Å²	38.9	31%	0.312	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-11.9	-178.4	25.9	-35.6	0	0	0	113.5	W417 K451	W417-P419 WeakPolarHBondContact O-CD 3.42Å; P419-K451 WeakPolarHBondContact O-CD 3.45Å; P419-K451 WeakPolarHBondContact O-CE 3.26Å; P419-K451 PolarHBondContact O-NZ 3.32Å
420	S	95.4	Very high	95.4	Very high	49 Å²	49	34.5 Å²	34.5	34%	0.343	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	6.9	177.1	-58	0	0	0	0	113.6	Q393 V395 H396 M418 T422	Q393-S420 WeakPolarHBondContact O-CB 3.38Å; Q393-S420 PolarHBondContact O-OG 3.44Å; V395-S420 CarbonylContact O-C 3.26Å; H396-S420 WeakPolarHBondContact CA-O 3.18Å; H396-S420 WeakPolarHBondContact CB-O 3.47Å; M418-S420 PolarHBondContact O-N 2.79Å; S420-T422 PolarHBondContact O-N 3.42Å; S420-T422 VanDerWaalsContact O-N 3.16Å
421	L	97.8	Very high	95.4	Very high	9 Å²	9	36.8 Å²	36.8	5%	0.047	20%	0.202	C	C	.	.			trans	-62.6	112.8	-174.9	-173.4	64.2	0	0	0	113.1	V395 L398 L414 M418 L424 L449 K451 L452	V395-L421 PolarHBondContact O-N 3.44Å; L398-L421 HydrophobicContact CB-CD1 3.6Å; L414-L421 HydrophobicContact CB-CD2 4.3Å; M418-L421 HydrophobicContact CB-CB 3.96Å; M418-L421 VanDerWaalsContact O-CB 3.25Å; M418-L421 WeakPolarHBondContact O-CB 3.29Å; M418-L421 PolarHBondContact O-N 2.73Å; L421-L424 HydrophobicContact CD2-CD1 4.45Å; L421-L449 HydrophobicContact CD2-CD1 4.34Å; L421-K451 CarbonylContact O-C 3.41Å; L421-L452 HydrophobicContact CG-CD1 4.44Å
422	T	98.1	Very high	95.3	Very high	39 Å²	39	37.3 Å²	37.3	24%	0.239	21%	0.205	C	C	.	.			trans	-115.2	-27.9	177.9	53.9	0	0	0	0	113.1	H396 S420 L452 T453 T454	H396-T422 PolarHBondContact O-N 2.93Å; H396-T422 PolarHBondContact O-OG1 3.3Å; S420-T422 PolarHBondContact O-N 3.42Å; S420-T422 VanDerWaalsContact O-N 3.16Å; T422-L452 CarbonylContact O-C 3.56Å; T422-L452 WeakPolarHBondContact O-CD1 3.34Å; T422-T453 HydrophobicContact CG2-CG2 4.49Å; T422-T453 PolarHBondContact O-N 2.83Å; T422-T453 PolarHBondContact O-OG1 3Å; T422-T454 PolarHBondContact O-N 2.92Å
423	N	98.3	Very high	95.3	Very high	50 Å²	50	36.7 Å²	36.7	27%	0.267	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	116	-175.4	-60.3	83.9	0	0	0	110	H396 T397 L398 T454	H396-N423 PolarHBondContact O-N 3.02Å; T397-N423 CarbonylContact C-O 3.11Å; T397-N423 WeakPolarHBondContact CA-O 3.43Å; T397-N423 HydrophobicContact CG2-CB 4.15Å; L398-N423 PolarHBondContact N-O 3.2Å; N423-T454 WeakPolarHBondContact CA-O 3.4Å; N423-T454 WeakPolarHBondContact ND2-CB 3.34Å; N423-T454 PolarHBondContact ND2-OG1 3.06Å
424	L	98.4	Very high	95.1	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.01	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	136.4	-177.4	-178.8	62.8	0	0	0	111.4	L398 L414 L421 L426 V445 L449 L452 T454 Y455 N456	L398-L424 HydrophobicContact CB-CD1 3.92Å; L398-L424 HydrophobicContact CD2-CD1 3.85Å; L398-L424 HydrophobicContact CG-CD1 4.02Å; L398-L424 WeakPolarHBondContact O-CA 3.32Å; L414-L424 HydrophobicContact CD1-CD1 4.31Å; L414-L424 HydrophobicContact CD1-CD2 4.34Å; L421-L424 HydrophobicContact CD2-CD1 4.45Å; L424-L426 HydrophobicContact CD1-CD2 3.88Å; L424-L426 HydrophobicContact CD1-CG 4.22Å; L424-L426 HydrophobicContact CD2-CD1 3.91Å; L424-L426 HydrophobicContact CD2-CD2 4.2Å; L424-L426 HydrophobicContact CD2-CG 3.89Å; L424-L426 HydrophobicContact CG-CD1 4.46Å; L424-L426 HydrophobicContact CG-CD2 4.13Å; L424-L426 HydrophobicContact CG-CG 3.9Å; L424-V445 HydrophobicContact CD2-CG1 4.13Å; L424-L449 HydrophobicContact CD2-CD1 3.35Å; L424-L452 HydrophobicContact CB-CD1 3.35Å; L424-L452 HydrophobicContact CB-CD2 4.19Å; L424-L452 HydrophobicContact CB-CG 4.41Å; L424-L452 HydrophobicContact CD2-CD2 4.39Å; L424-T454 PolarHBondContact N-O 3.31Å; L424-Y455 HydrophobicContact CB-CD2 4.4Å; L424-Y455 HydrophobicContact CD2-CD2 4.47Å; L424-Y455 HydrophobicContact CG-CD2 4.4Å; L424-Y455 WeakPolarHBondContact O-CA 3.4Å; L424-N456 PolarHBondContact O-N 3.3Å
425	R	97.4	Very high	94.8	Very high	121 Å²	121	50.3 Å²	50.3	46%	0.457	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	112.5	170.4	-60.7	-177.2	-178.6	-179.5	2.1	109.5	L398 L400 S401 N456	L398-R425 PolarHBondContact O-N 2.99Å; L400-R425 PolarHBondContact N-O 2.8Å; S401-R425 PolarHBondContact N-O 2.83Å; R425-N456 WeakPolarHBondContact CA-OD1 3.44Å
426	L	97	Very high	94.7	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.278	C	S	.	.			trans	-108.3	-17.7	174.2	-63.4	-179.7	0	0	0	111.8	L400 S401 I411 L424 L430 F433 V445 Y455 N456	L400-L426 HydrophobicContact CB-CD2 3.87Å; L400-L426 HydrophobicContact CD1-CD2 4.18Å; S401-L426 WeakPolarHBondContact CA-O 3.21Å; I411-L426 HydrophobicContact CD1-CD1 3.81Å; I411-L426 HydrophobicContact CD1-CD2 4.28Å; L424-L426 HydrophobicContact CD1-CD2 3.88Å; L424-L426 HydrophobicContact CD1-CG 4.22Å; L424-L426 HydrophobicContact CD2-CD1 3.91Å; L424-L426 HydrophobicContact CD2-CD2 4.2Å; L424-L426 HydrophobicContact CD2-CG 3.89Å; L424-L426 HydrophobicContact CG-CD1 4.46Å; L424-L426 HydrophobicContact CG-CD2 4.13Å; L424-L426 HydrophobicContact CG-CG 3.9Å; L426-L430 HydrophobicContact CB-CD1 3.77Å; L426-L430 HydrophobicContact CD2-CD1 4.06Å; L426-L430 HydrophobicContact CG-CD1 4.31Å; L426-L430 WeakPolarHBondContact O-CG 3.43Å; L426-F433 HydrophobicContact CB-CE2 3.99Å; L426-F433 HydrophobicContact CB-CZ 4.01Å; L426-F433 HydrophobicContact CD1-CZ 3.77Å; L426-V445 HydrophobicContact CD1-CG1 4.25Å; L426-V445 HydrophobicContact CD1-CG2 3.96Å; L426-Y455 HydrophobicContact CB-CE2 3.97Å; L426-Y455 HydrophobicContact CD1-CE2 3.94Å; L426-Y455 HydrophobicContact CG-CE2 3.93Å; L426-N456 PolarHBondContact N-OD1 3.06Å
427	G	93.2	Very high	94.6	Very high	17 Å²	17	51 Å²	51	18%	0.175	28%	0.28	C	S	.	.			trans	67.2	-165.3	-168	0	0	0	0	0	111.6	S401 F433 N456	S401-G427 PolarHBondContact OG-N 2.62Å; G427-F433 WeakPolarHBondContact O-CE2 3.46Å; G427-N456 PolarHBondContact N-OD1 3.28Å; G427-N456 PolarHBondContact O-ND2 3.34Å; G427-N456 VanDerWaalsContact O-ND2 3.11Å
428	N	91.7	Very high	94.4	Very high	103 Å²	103	55.2 Å²	55.2	55%	0.551	30%	0.3	S	S	*	.	S	Bend	trans	-120.3	8.8	-176.1	-63.1	9.1	0	0	0	112.2	N456	N428-N456 PolarHBondContact OD1-ND2 3.02Å
429	T	92.6	Very high	94.3	Very high	107 Å²	107	58.8 Å²	58.8	66%	0.656	32%	0.323	S	S	*	.			trans	-112.5	-0	-169.3	51.7	0	0	0	0	114.1
430	L	95.8	Very high	94.3	Very high	2 Å²	2	59 Å²	59	1%	0.01	32%	0.321	C	S	.	.			trans	-63.6	141.1	180	-58.6	-175.1	0	0	0	111.1	T403 I405 L426 V432 F433	T403-L430 VanDerWaalsContact O-CD2 3.28Å; T403-L430 WeakPolarHBondContact O-CD2 3.25Å; T403-L430 WeakPolarHBondContact OG1-CD2 3.5Å; I405-L430 HydrophobicContact CB-CD1 4.35Å; L426-L430 HydrophobicContact CB-CD1 3.77Å; L426-L430 HydrophobicContact CD2-CD1 4.06Å; L426-L430 HydrophobicContact CG-CD1 4.31Å; L426-L430 WeakPolarHBondContact O-CG 3.43Å; L430-V432 HydrophobicContact CB-CG1 3.96Å; L430-V432 PolarHBondContact O-N 3.31Å; L430-V432 VanDerWaalsContact O-N 3.13Å; L430-F433 HydrophobicContact CB-CD2 3.78Å; L430-F433 HydrophobicContact CB-CE2 3.91Å; L430-F433 HydrophobicContact CB-CG 4.4Å; L430-F433 HydrophobicContact CD1-CE2 3.81Å; L430-F433 HydrophobicContact CD1-CZ 4.11Å; L430-F433 HydrophobicContact CG-CD2 4.21Å; L430-F433 HydrophobicContact CG-CE2 3.89Å; L430-F433 WeakPolarHBondContact O-CB 3.4Å; L430-F433 PolarHBondContact O-N 3.44Å
431	P	97.1	Very high	94.3	Very high	48 Å²	48	57 Å²	57	31%	0.312	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-52.9	-35.1	178.2	-28.8	35.1	0	0	0	114.3	I405 N406 F433 Q434	I405-P431 WeakPolarHBondContact O-CD 3.49Å; N406-P431 HydrophobicContact CB-CB 3.99Å; P431-F433 PolarHBondContact O-N 3.12Å; P431-F433 VanDerWaalsContact O-N 3.15Å; P431-Q434 WeakPolarHBondContact O-CB 3.5Å; P431-Q434 PolarHBondContact O-N 3.46Å; P431-Q434 VanDerWaalsContact O-N 3.12Å
432	V	95.9	Very high	94.2	Very high	10 Å²	10	57.6 Å²	57.6	6%	0.061	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-59.1	-24.8	176.2	67.1	0	0	0	0	113.6	I405 W408 L430	I405-V432 HydrophobicContact CG2-CG1 4.35Å; I405-V432 WeakPolarHBondContact O-CB 3.43Å; I405-V432 PolarHBondContact O-N 3.46Å; W408-V432 HydrophobicContact CD2-CG2 3.74Å; W408-V432 HydrophobicContact CE3-CG2 4.33Å; W408-V432 HydrophobicContact CG-CG2 3.81Å; W408-V432 HydrophobicContact CZ2-CG2 4.35Å; L430-V432 HydrophobicContact CB-CG1 3.96Å; L430-V432 PolarHBondContact O-N 3.31Å; L430-V432 VanDerWaalsContact O-N 3.13Å
433	F	95.4	Very high	94.2	Very high	9 Å²	9	56.2 Å²	56.2	4%	0.039	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-88.9	-12.6	179.8	-58	-31.8	0	0	0	113.9	W408 L426 G427 L430 P431 S435 W436 C441 V445	W408-F433 HydrophobicContact CH2-CD1 4Å; W408-F433 AromaticContact CH2-CE1 3.77Å; W408-F433 HydrophobicContact CH2-CE1 3.77Å; W408-F433 HydrophobicContact CZ2-CD1 4.35Å; W408-F433 HydrophobicContact CZ3-CE1 4.1Å; L426-F433 HydrophobicContact CB-CE2 3.99Å; L426-F433 HydrophobicContact CB-CZ 4.01Å; L426-F433 HydrophobicContact CD1-CZ 3.77Å; G427-F433 WeakPolarHBondContact O-CE2 3.46Å; L430-F433 HydrophobicContact CB-CD2 3.78Å; L430-F433 HydrophobicContact CB-CE2 3.91Å; L430-F433 HydrophobicContact CB-CG 4.4Å; L430-F433 HydrophobicContact CD1-CE2 3.81Å; L430-F433 HydrophobicContact CD1-CZ 4.11Å; L430-F433 HydrophobicContact CG-CD2 4.21Å; L430-F433 HydrophobicContact CG-CE2 3.89Å; L430-F433 WeakPolarHBondContact O-CB 3.4Å; L430-F433 PolarHBondContact O-N 3.44Å; P431-F433 PolarHBondContact O-N 3.12Å; P431-F433 VanDerWaalsContact O-N 3.15Å; F433-S435 PolarHBondContact O-N 3.24Å; F433-W436 PolarHBondContact O-N 3.46Å; F433-C441 HydrophobicContact CD1-CB 4.03Å; F433-C441 HydrophobicContact CE1-CB 4.41Å; F433-C441 HydrophobicContact CG-CB 4.43Å; F433-V445 HydrophobicContact CE1-CG2 4.12Å; F433-V445 HydrophobicContact CZ-CG2 4.23Å
434	Q	90.5	Very high	94.1	Very high	171 Å²	171	54.1 Å²	54.1	80%	0.799	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-26.5	-168.7	-170.2	176.7	8.5	0	0	114.1	P431	P431-Q434 WeakPolarHBondContact O-CB 3.5Å; P431-Q434 PolarHBondContact O-N 3.46Å; P431-Q434 VanDerWaalsContact O-N 3.12Å
435	S	88.6	Confident	94	Very high	115 Å²	115	54 Å²	54	80%	0.804	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	7.1	-178.9	-59.6	0	0	0	0	114.6	F433	F433-S435 PolarHBondContact O-N 3.24Å
436	W	90.5	Very high	94.1	Very high	57 Å²	57	48.2 Å²	48.2	22%	0.216	27%	0.268	C	S	.	.	S	Bend	trans	-124.6	144.4	-170.6	-65.2	84.3	0	0	0	110.3	W408 F433 D440 C441 H444 Y475	W408-W436 HydrophobicContact CZ2-CD2 4.26Å; W408-W436 HydrophobicContact CZ2-CG 4.43Å; W408-W436 HydrophobicContact CZ2-CZ2 4.44Å; W408-W436 AromaticContact CZ2-NE1 3.98Å; W408-W436 AromaticContact NE1-CE2 3.72Å; W408-W436 AromaticContact NE1-CZ2 3.76Å; W408-W436 AromaticContact NE1-NE1 3.48Å; F433-W436 PolarHBondContact O-N 3.46Å; W436-D440 HydrophobicContact CE3-CB 3.82Å; W436-D440 HydrophobicContact CZ3-CB 4.39Å; W436-C441 WeakPolarHBondContact CB-SG 3.15Å; W436-H444 AromaticContact CH2-CD2 3.88Å; W436-H444 AromaticContact CH2-CE1 3.26Å; W436-H444 WeakPolarHBondContact CH2-CE1 3.37Å; W436-H444 AromaticContact CH2-ND1 3.84Å; W436-H444 AromaticContact CH2-NE2 3.3Å; W436-H444 VanDerWaalsContact CH2-NE2 3.3Å; W436-H444 WeakPolarHBondContact CH2-NE2 3.48Å; W436-H444 AromaticContact CZ3-CD2 3.43Å; W436-H444 VanDerWaalsContact CZ3-CD2 3.43Å; W436-H444 WeakPolarHBondContact CZ3-CD2 3.41Å; W436-H444 AromaticContact CZ3-CE1 3.62Å; W436-H444 AromaticContact CZ3-NE2 3.14Å; W436-H444 WeakPolarHBondContact CZ3-NE2 3.42Å; W436-Y475 AromaticContact CH2-CE1 3.95Å; W436-Y475 HydrophobicContact CH2-CE1 3.95Å; W436-Y475 AromaticContact CH2-CE2 3.96Å; W436-Y475 HydrophobicContact CH2-CE2 3.96Å; W436-Y475 AromaticContact CH2-CZ 3.57Å; W436-Y475 HydrophobicContact CZ3-CE2 4.33Å
437	I	90.7	Very high	94.1	Very high	109 Å²	109	48.2 Å²	48.2	56%	0.559	27%	0.268	S	S	*	.			trans	-75.1	149.4	166.9	58.1	169.3	0	0	0	109.2	D440 C441	I437-D440 HydrophobicContact CG1-CB 3.93Å; I437-D440 VanDerWaalsContact CG1-OD2 3.24Å; I437-D440 WeakPolarHBondContact CG1-OD2 3.44Å; I437-D440 PolarHBondContact O-N 3.44Å; I437-C441 PolarHBondContact O-N 2.8Å; I437-C441 PolarHBondContact O-SG 2.81Å
438	E	90.6	Very high	94.3	Very high	92 Å²	92	47.8 Å²	47.8	43%	0.43	26%	0.261	S	S	.	.	H	α-helix	trans	-54.8	-41.7	-172.1	-172.4	-81.1	162.5	0	0	114.5	D440 C441 R442	E438-D440 VanDerWaalsContact C-N 3.33Å; E438-D440 PolarHBondContact O-N 2.93Å; E438-C441 WeakPolarHBondContact O-CB 3.41Å; E438-C441 PolarHBondContact O-N 3.4Å; E438-R442 WeakPolarHBondContact O-CB 3.33Å; E438-R442 PolarHBondContact O-N 2.88Å
439	P	92.3	Very high	94.5	Very high	76 Å²	76	43.1 Å²	43.1	49%	0.494	24%	0.236	S	C	.	.	H	α-helix	trans	-60.6	-40.9	175.9	-26.2	36.5	0	0	0	113	R442 A443	P439-R442 PolarHBondContact O-N 3.1Å; P439-A443 WeakPolarHBondContact O-CB 3.42Å; P439-A443 PolarHBondContact O-N 3.41Å
440	D	93.1	Very high	94.6	Very high	52 Å²	52	39.8 Å²	39.8	28%	0.278	22%	0.216	S	C	.	.	H	α-helix	trans	-70.2	-40.3	179.4	-61.1	-0.4	0	0	0	110.6	W436 I437 E438 R442 A443 H444	W436-D440 HydrophobicContact CE3-CB 3.82Å; W436-D440 HydrophobicContact CZ3-CB 4.39Å; I437-D440 HydrophobicContact CG1-CB 3.93Å; I437-D440 VanDerWaalsContact CG1-OD2 3.24Å; I437-D440 WeakPolarHBondContact CG1-OD2 3.44Å; I437-D440 PolarHBondContact O-N 3.44Å; E438-D440 VanDerWaalsContact C-N 3.33Å; E438-D440 PolarHBondContact O-N 2.93Å; D440-R442 VanDerWaalsContact C-N 3.29Å; D440-R442 PolarHBondContact O-N 3.35Å; D440-A443 PolarHBondContact O-N 3.49Å; D440-H444 WeakPolarHBondContact O-CB 3.38Å; D440-H444 PolarHBondContact O-CD2 3.49Å; D440-H444 VanDerWaalsContact O-CD2 3.27Å; D440-H444 PolarHBondContact O-N 2.93Å
441	C	95.1	Very high	94.6	Very high	8 Å²	8	45.2 Å²	45.2	5%	0.054	24%	0.24	C	C	.	.	H	α-helix	trans	-53.7	-50.4	171.9	-66.2	0	0	0	0	110.6	F433 W436 I437 E438 H444 V445	F433-C441 HydrophobicContact CD1-CB 4.03Å; F433-C441 HydrophobicContact CE1-CB 4.41Å; F433-C441 HydrophobicContact CG-CB 4.43Å; W436-C441 WeakPolarHBondContact CB-SG 3.15Å; I437-C441 PolarHBondContact O-N 2.8Å; I437-C441 PolarHBondContact O-SG 2.81Å; E438-C441 WeakPolarHBondContact O-CB 3.41Å; E438-C441 PolarHBondContact O-N 3.4Å; C441-H444 PolarHBondContact O-N 2.92Å; C441-V445 WeakPolarHBondContact O-CG2 3.47Å; C441-V445 PolarHBondContact O-N 3.31Å
442	R	96.8	Very high	94.7	Very high	22 Å²	22	42.9 Å²	42.9	8%	0.083	23%	0.225	C	C	.	.	H	α-helix	trans	-61.5	-47.8	-178.9	173.8	168	-179	87.1	6.4	111.1	E438 P439 D440 H444 V445 I446 Y455 S458 V459 E464	E438-R442 WeakPolarHBondContact O-CB 3.33Å; E438-R442 PolarHBondContact O-N 2.88Å; P439-R442 PolarHBondContact O-N 3.1Å; D440-R442 VanDerWaalsContact C-N 3.29Å; D440-R442 PolarHBondContact O-N 3.35Å; R442-H444 VanDerWaalsContact C-N 3.32Å; R442-H444 PolarHBondContact O-N 3.01Å; R442-V445 PolarHBondContact O-N 3.07Å; R442-I446 HydrophobicContact CG-CD1 3.64Å; R442-I446 HydrophobicContact CG-CG1 4.41Å; R442-I446 WeakPolarHBondContact O-CB 3.29Å; R442-I446 VanDerWaalsContact O-CG1 3.25Å; R442-I446 WeakPolarHBondContact O-CG1 3.31Å; R442-I446 PolarHBondContact O-N 2.86Å; R442-Y455 HydrophobicContact CB-CD1 4.48Å; R442-Y455 HydrophobicContact CB-CE1 4.15Å; R442-Y455 HydrophobicContact CG-CD1 4Å; R442-Y455 HydrophobicContact CG-CE1 4.17Å; R442-Y455 VanDerWaalsContact NH1-CD1 3.34Å; R442-Y455 PolarHBondContact NH1-O 2.99Å; R442-S458 PolarHBondContact NH1-OG 3.26Å; R442-S458 PolarHBondContact NH2-OG 2.73Å; R442-V459 PolarHBondContact NH2-O 2.82Å; R442-E464 IonicContact CZ-OE1 2.88Å; R442-E464 IonicContact CZ-OE2 3.35Å; R442-E464 IonicContact NE-OE1 3.27Å; R442-E464 PolarHBondContact NE-OE1 2.83Å; R442-E464 IonicContact NE-OE2 2.66Å; R442-E464 IonicContact NH2-OE1 3.18Å; R442-E464 PolarHBondContact NH2-OE1 2.89Å; R442-E464 IonicContact NH2-OE2 2.84Å; R442-E464 PolarHBondContact NH2-OE2 3.33Å
443	A	96.5	Very high	94.8	Very high	10 Å²	10	45.6 Å²	45.6	8%	0.083	24%	0.241	C	C	.	.	H	α-helix	trans	-58.1	-44	175.9	0	0	0	0	0	111.8	P439 D440 V445 I446 A447 A468	P439-A443 WeakPolarHBondContact O-CB 3.42Å; P439-A443 PolarHBondContact O-N 3.41Å; D440-A443 PolarHBondContact O-N 3.49Å; A443-V445 PolarHBondContact O-N 3.46Å; A443-I446 PolarHBondContact O-N 2.89Å; A443-A447 VanDerWaalsContact O-CB 3.28Å; A443-A447 WeakPolarHBondContact O-CB 3.48Å; A443-A447 PolarHBondContact O-N 3.21Å; A443-A468 HydrophobicContact CB-CB 3.99Å
444	H	96.4	Very high	94.9	Very high	5 Å²	5	46.6 Å²	46.6	2%	0.023	25%	0.248	C	C	.	.	H	α-helix	trans	-62	-44.1	176.9	-89.4	-104.5	0	0	0	112.8	W408 W436 D440 C441 R442 R448 F472 Y475 Y476	W408-H444 HydrophobicContact CH2-CB 3.45Å; W408-H444 VanDerWaalsContact CH2-CB 3.45Å; W408-H444 HydrophobicContact CZ2-CB 3.94Å; W408-H444 HydrophobicContact CZ3-CB 3.78Å; W436-H444 AromaticContact CH2-CD2 3.88Å; W436-H444 AromaticContact CH2-CE1 3.26Å; W436-H444 WeakPolarHBondContact CH2-CE1 3.37Å; W436-H444 AromaticContact CH2-ND1 3.84Å; W436-H444 AromaticContact CH2-NE2 3.3Å; W436-H444 VanDerWaalsContact CH2-NE2 3.3Å; W436-H444 WeakPolarHBondContact CH2-NE2 3.48Å; W436-H444 AromaticContact CZ3-CD2 3.43Å; W436-H444 VanDerWaalsContact CZ3-CD2 3.43Å; W436-H444 WeakPolarHBondContact CZ3-CD2 3.41Å; W436-H444 AromaticContact CZ3-CE1 3.62Å; W436-H444 AromaticContact CZ3-NE2 3.14Å; W436-H444 WeakPolarHBondContact CZ3-NE2 3.42Å; D440-H444 WeakPolarHBondContact O-CB 3.38Å; D440-H444 PolarHBondContact O-CD2 3.49Å; D440-H444 VanDerWaalsContact O-CD2 3.27Å; D440-H444 PolarHBondContact O-N 2.93Å; C441-H444 PolarHBondContact O-N 2.92Å; R442-H444 VanDerWaalsContact C-N 3.32Å; R442-H444 PolarHBondContact O-N 3.01Å; H444-R448 WeakPolarHBondContact O-CB 3.25Å; H444-R448 WeakPolarHBondContact O-CD 3.28Å; H444-R448 WeakPolarHBondContact O-CG 3.15Å; H444-R448 PolarHBondContact O-N 3.19Å; H444-R448 VanDerWaalsContact O-N 3.12Å; H444-F472 AromaticContact ND1-CD2 3.96Å; H444-F472 AromaticContact ND1-CE2 3.97Å; H444-Y475 AromaticContact CE1-CD1 3.85Å; H444-Y476 AromaticContact CE1-CE2 3.56Å; H444-Y476 AromaticContact ND1-CE2 3.95Å
445	V	97.4	Very high	95.3	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-63.6	-47.3	176.8	174.5	0	0	0	0	111.2	W408 L424 L426 F433 C441 R442 A443 A447 R448 L449 L452 Y455	W408-V445 HydrophobicContact CH2-CG2 4.3Å; W408-V445 HydrophobicContact CZ3-CG2 3.84Å; L424-V445 HydrophobicContact CD2-CG1 4.13Å; L426-V445 HydrophobicContact CD1-CG1 4.25Å; L426-V445 HydrophobicContact CD1-CG2 3.96Å; F433-V445 HydrophobicContact CE1-CG2 4.12Å; F433-V445 HydrophobicContact CZ-CG2 4.23Å; C441-V445 WeakPolarHBondContact O-CG2 3.47Å; C441-V445 PolarHBondContact O-N 3.31Å; R442-V445 PolarHBondContact O-N 3.07Å; A443-V445 PolarHBondContact O-N 3.46Å; V445-A447 VanDerWaalsContact C-N 3.35Å; V445-A447 PolarHBondContact O-N 2.79Å; V445-R448 PolarHBondContact O-N 3.02Å; V445-L449 HydrophobicContact CG1-CD1 4.13Å; V445-L449 PolarHBondContact O-N 3.23Å; V445-L449 VanDerWaalsContact O-N 3.1Å; V445-L452 HydrophobicContact CG1-CD2 4.15Å; V445-Y455 HydrophobicContact CB-CE1 4.27Å; V445-Y455 HydrophobicContact CB-CE2 4.46Å; V445-Y455 HydrophobicContact CG1-CD1 4.49Å; V445-Y455 HydrophobicContact CG1-CD2 3.98Å; V445-Y455 HydrophobicContact CG1-CE1 4.38Å; V445-Y455 HydrophobicContact CG1-CE2 3.83Å; V445-Y455 HydrophobicContact CG1-CG 4.32Å; V445-Y455 HydrophobicContact CG2-CE1 4.45Å; V445-Y455 HydrophobicContact CG2-CE2 4.46Å
446	I	97.8	Very high	95.6	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-60.5	-44.6	-179.9	-68.2	169.1	0	0	0	111	R442 A443 R448 L449 I460 E464 R465 A468	R442-I446 HydrophobicContact CG-CD1 3.64Å; R442-I446 HydrophobicContact CG-CG1 4.41Å; R442-I446 WeakPolarHBondContact O-CB 3.29Å; R442-I446 VanDerWaalsContact O-CG1 3.25Å; R442-I446 WeakPolarHBondContact O-CG1 3.31Å; R442-I446 PolarHBondContact O-N 2.86Å; A443-I446 PolarHBondContact O-N 2.89Å; I446-R448 VanDerWaalsContact C-N 3.31Å; I446-R448 PolarHBondContact O-N 2.74Å; I446-L449 PolarHBondContact O-N 3.47Å; I446-I460 HydrophobicContact CD1-CD1 4.29Å; I446-I460 HydrophobicContact CD1-CG1 3.94Å; I446-I460 HydrophobicContact CD1-CG2 4.1Å; I446-I460 HydrophobicContact CG1-CD1 3.78Å; I446-I460 HydrophobicContact CG1-CG1 4.02Å; I446-I460 HydrophobicContact CG1-CG2 4.32Å; I446-I460 HydrophobicContact CG2-CG2 3.87Å; I446-E464 HydrophobicContact CD1-CG 3.94Å; I446-R465 HydrophobicContact CG2-CB 4.32Å; I446-R465 HydrophobicContact CG2-CG 4.26Å; I446-A468 HydrophobicContact CB-CB 4.03Å; I446-A468 HydrophobicContact CG2-CB 3.84Å
447	A	97.6	Very high	95.7	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-65.4	-35	179.8	0	0	0	0	0	112.4	A443 V445 F472 R487 L491	A443-A447 VanDerWaalsContact O-CB 3.28Å; A443-A447 WeakPolarHBondContact O-CB 3.48Å; A443-A447 PolarHBondContact O-N 3.21Å; V445-A447 VanDerWaalsContact C-N 3.35Å; V445-A447 PolarHBondContact O-N 2.79Å; A447-F472 HydrophobicContact CB-CB 3.51Å; A447-F472 HydrophobicContact CB-CD2 3.53Å; A447-F472 HydrophobicContact CB-CE2 4.32Å; A447-F472 HydrophobicContact CB-CG 3.64Å; A447-R487 PolarHBondContact O-NE 3Å; A447-R487 PolarHBondContact O-NH2 3.34Å; A447-L491 HydrophobicContact CB-CD1 4.21Å
448	R	96.9	Very high	95.9	Very high	7 Å²	7	37.9 Å²	37.9	3%	0.026	19%	0.193	C	C	.	.	H	α-helix	trans	-70.9	-36.9	178.5	-72.7	174.9	-177.5	-68.7	6.6	113.4	D412 H444 V445 I446 P450 F472 Y476	D412-R448 VanDerWaalsContact OD1-CD 3.25Å; D412-R448 WeakPolarHBondContact OD1-CD 3.2Å; D412-R448 VanDerWaalsContact OD1-CG 3.25Å; D412-R448 WeakPolarHBondContact OD1-CG 3.25Å; D412-R448 IonicContact OD1-CZ 2.76Å; D412-R448 IonicContact OD1-NE 2.79Å; D412-R448 IonicContact OD1-NH1 3.99Å; D412-R448 PolarHBondContact OD1-NH1 3Å; D412-R448 IonicContact OD2-CZ 2.82Å; D412-R448 IonicContact OD2-NH1 3.83Å; D412-R448 PolarHBondContact OD2-NH1 3.33Å; H444-R448 WeakPolarHBondContact O-CB 3.25Å; H444-R448 WeakPolarHBondContact O-CD 3.28Å; H444-R448 WeakPolarHBondContact O-CG 3.15Å; H444-R448 PolarHBondContact O-N 3.19Å; H444-R448 VanDerWaalsContact O-N 3.12Å; V445-R448 PolarHBondContact O-N 3.02Å; I446-R448 VanDerWaalsContact C-N 3.31Å; I446-R448 PolarHBondContact O-N 2.74Å; R448-P450 VanDerWaalsContact O-CD 3.24Å; R448-P450 WeakPolarHBondContact O-CD 3.48Å; R448-F472 HydrophobicContact CG-CE2 3.69Å; R448-F472 HydrophobicContact CG-CZ 4.07Å; R448-Y476 PolarHBondContact NH2-OH 3.38Å
449	L	97.1	Very high	96.2	Very high	5 Å²	5	38.7 Å²	38.7	3%	0.026	20%	0.204	C	C	.	.			trans	-109.8	91.4	-171.2	-60.1	179.3	0	0	0	112.4	I411 L414 N415 L421 L424 V445 I446 K451 L452	I411-L449 HydrophobicContact CG2-CD1 4.24Å; I411-L449 HydrophobicContact CG2-CG 4.43Å; L414-L449 HydrophobicContact CB-CD2 4.35Å; N415-L449 HydrophobicContact CB-CD2 3.85Å; L421-L449 HydrophobicContact CD2-CD1 4.34Å; L424-L449 HydrophobicContact CD2-CD1 3.35Å; V445-L449 HydrophobicContact CG1-CD1 4.13Å; V445-L449 PolarHBondContact O-N 3.23Å; V445-L449 VanDerWaalsContact O-N 3.1Å; I446-L449 PolarHBondContact O-N 3.47Å; L449-K451 VanDerWaalsContact C-N 3.28Å; L449-K451 PolarHBondContact O-N 2.99Å; L449-K451 VanDerWaalsContact O-N 3.12Å; L449-L452 HydrophobicContact CB-CB 4.01Å; L449-L452 HydrophobicContact CB-CD2 4.35Å; L449-L452 HydrophobicContact CD1-CD2 4.23Å; L449-L452 WeakPolarHBondContact O-CB 3.13Å; L449-L452 PolarHBondContact O-N 3.17Å
450	P	95.2	Very high	96.5	Very high	37 Å²	37	35.7 Å²	35.7	24%	0.24	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-25.2	-169.3	19	-31.5	0	0	0	116.4	N415 R448 R465	N415-P450 WeakPolarHBondContact OD1-CD 3.24Å; N415-P450 WeakPolarHBondContact OD1-CG 3.28Å; R448-P450 VanDerWaalsContact O-CD 3.24Å; R448-P450 WeakPolarHBondContact O-CD 3.48Å; P450-R465 PolarHBondContact O-NH1 3.12Å
451	K	96.2	Very high	96.6	Very high	116 Å²	116	37.3 Å²	37.3	50%	0.504	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-4.3	-173.1	-66.9	177.9	-179.7	-177.4	0	113.5	P419 L421 L449 T453	P419-K451 WeakPolarHBondContact O-CD 3.45Å; P419-K451 WeakPolarHBondContact O-CE 3.26Å; P419-K451 PolarHBondContact O-NZ 3.32Å; L421-K451 CarbonylContact O-C 3.41Å; L449-K451 VanDerWaalsContact C-N 3.28Å; L449-K451 PolarHBondContact O-N 2.99Å; L449-K451 VanDerWaalsContact O-N 3.12Å; K451-T453 PolarHBondContact O-N 2.71Å
452	L	97.7	Very high	96.7	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.224	C	C	.	.			trans	-67.5	113.6	-173.3	-168.8	70.5	0	0	0	111.5	L421 T422 L424 V445 L449 Y455 I460 R465	L421-L452 HydrophobicContact CG-CD1 4.44Å; T422-L452 CarbonylContact O-C 3.56Å; T422-L452 WeakPolarHBondContact O-CD1 3.34Å; L424-L452 HydrophobicContact CB-CD1 3.35Å; L424-L452 HydrophobicContact CB-CD2 4.19Å; L424-L452 HydrophobicContact CB-CG 4.41Å; L424-L452 HydrophobicContact CD2-CD2 4.39Å; V445-L452 HydrophobicContact CG1-CD2 4.15Å; L449-L452 HydrophobicContact CB-CB 4.01Å; L449-L452 HydrophobicContact CB-CD2 4.35Å; L449-L452 HydrophobicContact CD1-CD2 4.23Å; L449-L452 WeakPolarHBondContact O-CB 3.13Å; L449-L452 PolarHBondContact O-N 3.17Å; L452-Y455 HydrophobicContact CD2-CD2 4.32Å; L452-Y455 HydrophobicContact CD2-CG 4.27Å; L452-I460 HydrophobicContact CB-CD1 4.13Å; L452-I460 HydrophobicContact CD2-CD1 3.8Å; L452-I460 HydrophobicContact CG-CD1 3.76Å; L452-I460 VanDerWaalsContact O-CD1 3.22Å; L452-I460 WeakPolarHBondContact O-CD1 3.36Å; L452-R465 PolarHBondContact O-NH2 2.99Å
453	T	97.9	Very high	96.7	Very high	66 Å²	66	48.2 Å²	48.2	41%	0.405	26%	0.255	S	S	.	.	S	Bend	trans	-95	-21.3	178.9	59.2	0	0	0	0	112.9	T422 K451 I460	T422-T453 HydrophobicContact CG2-CG2 4.49Å; T422-T453 PolarHBondContact O-N 2.83Å; T422-T453 PolarHBondContact O-OG1 3Å; K451-T453 PolarHBondContact O-N 2.71Å; T453-I460 PolarHBondContact O-N 3.5Å
454	T	98.1	Very high	96.8	Very high	30 Å²	30	50.2 Å²	50.2	18%	0.184	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	127.5	179	-53.1	0	0	0	0	110.1	T422 N423 L424 S458	T422-T454 PolarHBondContact O-N 2.92Å; N423-T454 WeakPolarHBondContact CA-O 3.4Å; N423-T454 WeakPolarHBondContact ND2-CB 3.34Å; N423-T454 PolarHBondContact ND2-OG1 3.06Å; L424-T454 PolarHBondContact N-O 3.31Å; T454-S458 WeakPolarHBondContact CA-O 3.28Å; T454-S458 WeakPolarHBondContact CG2-O 3.35Å
455	Y	98	Very high	96.8	Very high	4 Å²	4	52.1 Å²	52.1	2%	0.016	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	128.2	176.6	176	-127.1	0	0	0	110.3	L424 L426 R442 V445 L452 R457 S458	L424-Y455 HydrophobicContact CB-CD2 4.4Å; L424-Y455 HydrophobicContact CD2-CD2 4.47Å; L424-Y455 HydrophobicContact CG-CD2 4.4Å; L424-Y455 WeakPolarHBondContact O-CA 3.4Å; L426-Y455 HydrophobicContact CB-CE2 3.97Å; L426-Y455 HydrophobicContact CD1-CE2 3.94Å; L426-Y455 HydrophobicContact CG-CE2 3.93Å; R442-Y455 HydrophobicContact CB-CD1 4.48Å; R442-Y455 HydrophobicContact CB-CE1 4.15Å; R442-Y455 HydrophobicContact CG-CD1 4Å; R442-Y455 HydrophobicContact CG-CE1 4.17Å; R442-Y455 VanDerWaalsContact NH1-CD1 3.34Å; R442-Y455 PolarHBondContact NH1-O 2.99Å; V445-Y455 HydrophobicContact CB-CE1 4.27Å; V445-Y455 HydrophobicContact CB-CE2 4.46Å; V445-Y455 HydrophobicContact CG1-CD1 4.49Å; V445-Y455 HydrophobicContact CG1-CD2 3.98Å; V445-Y455 HydrophobicContact CG1-CE1 4.38Å; V445-Y455 HydrophobicContact CG1-CE2 3.83Å; V445-Y455 HydrophobicContact CG1-CG 4.32Å; V445-Y455 HydrophobicContact CG2-CE1 4.45Å; V445-Y455 HydrophobicContact CG2-CE2 4.46Å; L452-Y455 HydrophobicContact CD2-CD2 4.32Å; L452-Y455 HydrophobicContact CD2-CG 4.27Å; Y455-R457 PolarHBondContact O-N 3.25Å; Y455-R457 VanDerWaalsContact O-N 3.12Å; Y455-S458 PolarHBondContact N-O 3.46Å; Y455-S458 PolarHBondContact O-N 2.76Å; Y455-S458 PolarHBondContact O-OG 2.79Å
456	N	95.9	Very high	96.8	Very high	30 Å²	30	56.5 Å²	56.5	16%	0.16	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.3	39.1	-177.9	-74.3	-14.4	0	0	0	113.2	L424 R425 L426 G427 N428 S458	L424-N456 PolarHBondContact O-N 3.3Å; R425-N456 WeakPolarHBondContact CA-OD1 3.44Å; L426-N456 PolarHBondContact N-OD1 3.06Å; G427-N456 PolarHBondContact N-OD1 3.28Å; G427-N456 PolarHBondContact O-ND2 3.34Å; G427-N456 VanDerWaalsContact O-ND2 3.11Å; N428-N456 PolarHBondContact OD1-ND2 3.02Å; N456-S458 VanDerWaalsContact C-N 3.27Å; N456-S458 PolarHBondContact O-N 3.14Å
457	R	91.8	Very high	96.8	Very high	187 Å²	187	59.7 Å²	59.7	71%	0.706	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.9	2.3	-178.5	-52.7	179.2	-69.3	-97.3	-2.3	116.3	Y455	Y455-R457 PolarHBondContact O-N 3.25Å; Y455-R457 VanDerWaalsContact O-N 3.12Å
458	S	95.6	Very high	96.7	Very high	49 Å²	49	59.8 Å²	59.8	34%	0.343	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	139.7	169.1	56	0	0	0	0	111.2	R442 T454 Y455 N456	R442-S458 PolarHBondContact NH1-OG 3.26Å; R442-S458 PolarHBondContact NH2-OG 2.73Å; T454-S458 WeakPolarHBondContact CA-O 3.28Å; T454-S458 WeakPolarHBondContact CG2-O 3.35Å; Y455-S458 PolarHBondContact N-O 3.46Å; Y455-S458 PolarHBondContact O-N 2.76Å; Y455-S458 PolarHBondContact O-OG 2.79Å; N456-S458 VanDerWaalsContact C-N 3.27Å; N456-S458 PolarHBondContact O-N 3.14Å
459	V	97.4	Very high	96.8	Very high	109 Å²	109	59.8 Å²	59.8	66%	0.661	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.4	142	175	178.4	0	0	0	0	109	R442	R442-V459 PolarHBondContact NH2-O 2.82Å
460	I	97.7	Very high	96.8	Very high	12 Å²	12	63.6 Å²	63.6	6%	0.062	33%	0.327	C	S	.	.			trans	-100.8	109	173.2	-60.8	157.1	0	0	0	107.8	I446 L452 T453 E464 R465	I446-I460 HydrophobicContact CD1-CD1 4.29Å; I446-I460 HydrophobicContact CD1-CG1 3.94Å; I446-I460 HydrophobicContact CD1-CG2 4.1Å; I446-I460 HydrophobicContact CG1-CD1 3.78Å; I446-I460 HydrophobicContact CG1-CG1 4.02Å; I446-I460 HydrophobicContact CG1-CG2 4.32Å; I446-I460 HydrophobicContact CG2-CG2 3.87Å; L452-I460 HydrophobicContact CB-CD1 4.13Å; L452-I460 HydrophobicContact CD2-CD1 3.8Å; L452-I460 HydrophobicContact CG-CD1 3.76Å; L452-I460 VanDerWaalsContact O-CD1 3.22Å; L452-I460 WeakPolarHBondContact O-CD1 3.36Å; T453-I460 PolarHBondContact O-N 3.5Å; I460-E464 WeakPolarHBondContact CA-OE2 3.35Å; I460-R465 HydrophobicContact CG2-CB 4.19Å
461	D	96.2	Very high	96.7	Very high	86 Å²	86	65.5 Å²	65.5	46%	0.46	33%	0.333	S	S	.	.			trans	-80.1	172.9	175.4	71.3	57.7	0	0	0	112.2	E463 E464 R465	D461-E463 WeakPolarHBondContact OD1-CA 3.15Å; D461-E463 WeakPolarHBondContact OD1-CB 3.34Å; D461-E463 PolarHBondContact OD1-N 2.71Å; D461-E464 PolarHBondContact OD1-N 3.26Å; D461-R465 WeakPolarHBondContact O-CB 3.29Å; D461-R465 PolarHBondContact O-N 3.13Å
462	S	96.6	Very high	96.7	Very high	103 Å²	103	60 Å²	60	72%	0.72	31%	0.309	S	S	*	.	H	α-helix	trans	-69.6	-33.3	-177.4	52.2	0	0	0	0	113.7	E466	S462-E466 WeakPolarHBondContact O-CB 3.43Å; S462-E466 PolarHBondContact O-N 3.26Å
463	E	96.8	Very high	96.6	Very high	156 Å²	156	60 Å²	60	73%	0.729	31%	0.309	S	S	*	.	H	α-helix	trans	-73.4	-44.6	-179.1	-176.4	175.5	-178.6	0	0	110.2	D461 R465 E466 S467	D461-E463 WeakPolarHBondContact OD1-CA 3.15Å; D461-E463 WeakPolarHBondContact OD1-CB 3.34Å; D461-E463 PolarHBondContact OD1-N 2.71Å; E463-R465 VanDerWaalsContact C-N 3.34Å; E463-R465 PolarHBondContact O-N 2.91Å; E463-E466 PolarHBondContact O-N 3.31Å; E463-S467 WeakPolarHBondContact O-CB 3.34Å; E463-S467 PolarHBondContact O-N 2.99Å
464	E	97.5	Very high	96.5	Very high	52 Å²	52	59 Å²	59	24%	0.243	30%	0.298	C	S	.	.	H	α-helix	trans	-56.8	-47.6	171.8	179.9	177.7	-142.1	0	0	110.9	R442 I446 I460 D461 E466 S467 A468	R442-E464 IonicContact CZ-OE1 2.88Å; R442-E464 IonicContact CZ-OE2 3.35Å; R442-E464 IonicContact NE-OE1 3.27Å; R442-E464 PolarHBondContact NE-OE1 2.83Å; R442-E464 IonicContact NE-OE2 2.66Å; R442-E464 IonicContact NH2-OE1 3.18Å; R442-E464 PolarHBondContact NH2-OE1 2.89Å; R442-E464 IonicContact NH2-OE2 2.84Å; R442-E464 PolarHBondContact NH2-OE2 3.33Å; I446-E464 HydrophobicContact CD1-CG 3.94Å; I460-E464 WeakPolarHBondContact CA-OE2 3.35Å; D461-E464 PolarHBondContact OD1-N 3.26Å; E464-E466 PolarHBondContact O-N 2.9Å; E464-S467 PolarHBondContact O-N 3.21Å; E464-A468 VanDerWaalsContact O-CB 3.29Å; E464-A468 WeakPolarHBondContact O-CB 3.49Å; E464-A468 PolarHBondContact O-N 3.26Å
465	R	97.9	Very high	96.2	Very high	46 Å²	46	62.1 Å²	62.1	17%	0.174	31%	0.307	C	S	.	.	H	α-helix	trans	-60.2	-48.1	177.6	-176.9	-178.3	-55.6	-85.5	-8.8	111.9	I446 P450 L452 I460 D461 E463 S467 A468 E469	I446-R465 HydrophobicContact CG2-CB 4.32Å; I446-R465 HydrophobicContact CG2-CG 4.26Å; P450-R465 PolarHBondContact O-NH1 3.12Å; L452-R465 PolarHBondContact O-NH2 2.99Å; I460-R465 HydrophobicContact CG2-CB 4.19Å; D461-R465 WeakPolarHBondContact O-CB 3.29Å; D461-R465 PolarHBondContact O-N 3.13Å; E463-R465 VanDerWaalsContact C-N 3.34Å; E463-R465 PolarHBondContact O-N 2.91Å; R465-S467 VanDerWaalsContact C-N 3.31Å; R465-S467 PolarHBondContact O-N 3.41Å; R465-A468 PolarHBondContact O-N 2.96Å; R465-E469 HydrophobicContact CG-CG 4.29Å; R465-E469 WeakPolarHBondContact O-CB 3.48Å; R465-E469 VanDerWaalsContact O-CG 3.32Å; R465-E469 WeakPolarHBondContact O-CG 3.25Å; R465-E469 PolarHBondContact O-N 3.5Å
466	E	97.1	Very high	96.1	Very high	91 Å²	91	62.8 Å²	62.8	43%	0.425	31%	0.31	S	S	.	.	H	α-helix	trans	-61.9	-43.5	179.1	-164.9	-167	140.3	0	0	110.6	S462 E463 E464 E469 R470	S462-E466 WeakPolarHBondContact O-CB 3.43Å; S462-E466 PolarHBondContact O-N 3.26Å; E463-E466 PolarHBondContact O-N 3.31Å; E464-E466 PolarHBondContact O-N 2.9Å; E466-E469 PolarHBondContact O-N 3.41Å; E466-R470 HydrophobicContact CG-CG 4.38Å; E466-R470 WeakPolarHBondContact O-CB 3.38Å; E466-R470 WeakPolarHBondContact O-CG 3.42Å; E466-R470 PolarHBondContact O-N 3.43Å; E466-R470 WeakPolarHBondContact OE1-CD 3.5Å; E466-R470 IonicContact OE1-CZ 3.8Å; E466-R470 IonicContact OE1-NH1 3.46Å; E466-R470 PolarHBondContact OE1-NH1 3.34Å
467	S	96.6	Very high	95.9	Very high	67 Å²	67	62.1 Å²	62.1	47%	0.469	31%	0.31	S	S	.	.	H	α-helix	trans	-58.2	-50.8	176.4	-170.3	0	0	0	0	111.6	E463 E464 R465 R470 E471	E463-S467 WeakPolarHBondContact O-CB 3.34Å; E463-S467 PolarHBondContact O-N 2.99Å; E464-S467 PolarHBondContact O-N 3.21Å; R465-S467 VanDerWaalsContact C-N 3.31Å; R465-S467 PolarHBondContact O-N 3.41Å; S467-R470 PolarHBondContact O-N 3.41Å; S467-E471 WeakPolarHBondContact O-CB 3.46Å; S467-E471 PolarHBondContact O-N 3.27Å
468	A	97.5	Very high	95.9	Very high	3 Å²	3	59.4 Å²	59.4	3%	0.025	31%	0.305	C	S	.	.	H	α-helix	trans	-60.5	-46	178.3	0	0	0	0	0	112.4	A443 I446 E464 R465 R470 E471 F472	A443-A468 HydrophobicContact CB-CB 3.99Å; I446-A468 HydrophobicContact CB-CB 4.03Å; I446-A468 HydrophobicContact CG2-CB 3.84Å; E464-A468 VanDerWaalsContact O-CB 3.29Å; E464-A468 WeakPolarHBondContact O-CB 3.49Å; E464-A468 PolarHBondContact O-N 3.26Å; R465-A468 PolarHBondContact O-N 2.96Å; A468-R470 VanDerWaalsContact C-N 3.34Å; A468-R470 PolarHBondContact O-N 2.85Å; A468-E471 PolarHBondContact O-N 2.95Å; A468-F472 WeakPolarHBondContact O-CB 3.44Å; A468-F472 PolarHBondContact O-N 2.91Å
469	E	97.8	Very high	95.7	Very high	6 Å²	6	60.2 Å²	60.2	3%	0.028	30%	0.304	C	S	.	.	H	α-helix	trans	-62.4	-40.9	177.2	-73.6	-174.4	173	0	0	111.6	R465 E466 V473 R487 L491 R494 H495	R465-E469 HydrophobicContact CG-CG 4.29Å; R465-E469 WeakPolarHBondContact O-CB 3.48Å; R465-E469 VanDerWaalsContact O-CG 3.32Å; R465-E469 WeakPolarHBondContact O-CG 3.25Å; R465-E469 PolarHBondContact O-N 3.5Å; E466-E469 PolarHBondContact O-N 3.41Å; E469-V473 WeakPolarHBondContact O-CG2 3.35Å; E469-V473 PolarHBondContact O-N 3.45Å; E469-V473 VanDerWaalsContact O-N 3.13Å; E469-R487 IonicContact OE1-NH2 3.62Å; E469-R487 PolarHBondContact OE1-NH2 2.85Å; E469-L491 HydrophobicContact CB-CD1 4.22Å; E469-L491 HydrophobicContact CB-CD2 3.93Å; E469-L491 VanDerWaalsContact CD-CD2 3.47Å; E469-L491 HydrophobicContact CG-CD1 4.22Å; E469-L491 HydrophobicContact CG-CD2 3.63Å; E469-R494 IonicContact OE1-NH1 3.79Å; E469-R494 PolarHBondContact OE1-NH1 3.31Å; E469-R494 IonicContact OE2-NH1 2.65Å; E469-R494 PolarHBondContact OE2-NH1 3.12Å; E469-H495 VanDerWaalsContact CB-NE2 3.34Å; E469-H495 WeakPolarHBondContact CB-NE2 3.47Å; E469-H495 IonicContact OE2-CD2 2.6Å; E469-H495 IonicContact OE2-CE1 3Å; E469-H495 IonicContact OE2-NE2 3.01Å; E469-H495 PolarHBondContact OE2-NE2 2.97Å
470	R	96.6	Very high	95.5	Very high	86 Å²	86	59.2 Å²	59.2	33%	0.325	30%	0.296	S	S	.	.	H	α-helix	trans	-70.6	-39.5	178.6	-69.9	173.4	71.1	164.3	0.9	112	E466 S467 A468 V473 R474 H495 L498	E466-R470 HydrophobicContact CG-CG 4.38Å; E466-R470 WeakPolarHBondContact O-CB 3.38Å; E466-R470 WeakPolarHBondContact O-CG 3.42Å; E466-R470 PolarHBondContact O-N 3.43Å; E466-R470 WeakPolarHBondContact OE1-CD 3.5Å; E466-R470 IonicContact OE1-CZ 3.8Å; E466-R470 IonicContact OE1-NH1 3.46Å; E466-R470 PolarHBondContact OE1-NH1 3.34Å; S467-R470 PolarHBondContact O-N 3.41Å; A468-R470 VanDerWaalsContact C-N 3.34Å; A468-R470 PolarHBondContact O-N 2.85Å; R470-V473 PolarHBondContact O-N 3.25Å; R470-R474 WeakPolarHBondContact O-CG 3.48Å; R470-R474 PolarHBondContact O-N 2.84Å; R470-H495 HydrophobicContact CG-CB 4.41Å; R470-L498 HydrophobicContact CB-CD1 3.57Å; R470-L498 HydrophobicContact CG-CD1 3.79Å; R470-L498 WeakPolarHBondContact O-CD1 3.24Å
471	E	94.2	Very high	95.2	Very high	76 Å²	76	62.1 Å²	62.1	36%	0.355	32%	0.315	S	S	.	.	H	α-helix	trans	-61.5	-45.7	173.4	179.5	160.3	-139.5	0	0	111.7	S467 A468 V473 R474 Y475	S467-E471 WeakPolarHBondContact O-CB 3.46Å; S467-E471 PolarHBondContact O-N 3.27Å; A468-E471 PolarHBondContact O-N 2.95Å; E471-V473 VanDerWaalsContact C-N 3.32Å; E471-V473 PolarHBondContact O-N 3.11Å; E471-R474 WeakPolarHBondContact O-CB 3.5Å; E471-R474 PolarHBondContact O-N 3.31Å; E471-R474 VanDerWaalsContact O-N 3.08Å; E471-Y475 WeakPolarHBondContact O-CB 3.46Å; E471-Y475 PolarHBondContact O-N 2.86Å
472	F	96	Very high	95	Very high	1 Å²	1	65.7 Å²	65.7	0%	0.004	33%	0.334	C	S	.	.	H	α-helix	trans	-57	-43.7	175.3	-168.8	-84.9	0	0	0	112.4	H444 A447 R448 A468 Y475 Y476 P485 R487 L491	H444-F472 AromaticContact ND1-CD2 3.96Å; H444-F472 AromaticContact ND1-CE2 3.97Å; A447-F472 HydrophobicContact CB-CB 3.51Å; A447-F472 HydrophobicContact CB-CD2 3.53Å; A447-F472 HydrophobicContact CB-CE2 4.32Å; A447-F472 HydrophobicContact CB-CG 3.64Å; R448-F472 HydrophobicContact CG-CE2 3.69Å; R448-F472 HydrophobicContact CG-CZ 4.07Å; A468-F472 WeakPolarHBondContact O-CB 3.44Å; A468-F472 PolarHBondContact O-N 2.91Å; F472-Y475 PolarHBondContact O-N 2.66Å; F472-Y476 AromaticContact CD1-CD2 3.74Å; F472-Y476 HydrophobicContact CD1-CD2 3.74Å; F472-Y476 HydrophobicContact CD1-CE2 4.29Å; F472-Y476 HydrophobicContact CD2-CD2 4.06Å; F472-Y476 AromaticContact CD2-CE2 3.85Å; F472-Y476 HydrophobicContact CD2-CE2 3.85Å; F472-Y476 AromaticContact CE1-CD2 3.52Å; F472-Y476 HydrophobicContact CE1-CD2 3.52Å; F472-Y476 AromaticContact CE1-CE2 3.88Å; F472-Y476 HydrophobicContact CE1-CE2 3.88Å; F472-Y476 HydrophobicContact CE1-CG 4.48Å; F472-Y476 AromaticContact CE2-CD2 3.88Å; F472-Y476 HydrophobicContact CE2-CD2 3.88Å; F472-Y476 AromaticContact CE2-CE2 3.41Å; F472-Y476 HydrophobicContact CE2-CE2 3.41Å; F472-Y476 VanDerWaalsContact CE2-CE2 3.41Å; F472-Y476 HydrophobicContact CG-CD2 4.02Å; F472-Y476 HydrophobicContact CG-CE2 4.29Å; F472-Y476 AromaticContact CZ-CD2 3.62Å; F472-Y476 HydrophobicContact CZ-CD2 3.62Å; F472-Y476 AromaticContact CZ-CE2 3.44Å; F472-Y476 HydrophobicContact CZ-CE2 3.44Å; F472-Y476 VanDerWaalsContact CZ-CE2 3.44Å; F472-Y476 PolarHBondContact O-N 3.3Å; F472-P485 HydrophobicContact CE1-CG 3.77Å; F472-P485 HydrophobicContact CZ-CB 4.41Å; F472-P485 HydrophobicContact CZ-CG 3.43Å; F472-P485 VanDerWaalsContact CZ-CG 3.43Å; F472-R487 HydrophobicContact CE1-CB 4.28Å; F472-R487 HydrophobicContact CE1-CG 4.28Å; F472-R487 HydrophobicContact CZ-CB 4.31Å; F472-R487 HydrophobicContact CZ-CG 4.4Å; F472-L491 HydrophobicContact CB-CD1 4.25Å; F472-L491 HydrophobicContact CD1-CD1 3.7Å; F472-L491 HydrophobicContact CE1-CD1 4.31Å; F472-L491 HydrophobicContact CG-CD1 4.15Å
473	V	96.3	Very high	94.7	Very high	1 Å²	1	66.8 Å²	66.8	1%	0.006	33%	0.326	C	S	.	.	H	α-helix	trans	-64.6	-41.4	175.1	172.2	0	0	0	0	111.6	E469 R470 E471 G477 Y488 L491 L498	E469-V473 WeakPolarHBondContact O-CG2 3.35Å; E469-V473 PolarHBondContact O-N 3.45Å; E469-V473 VanDerWaalsContact O-N 3.13Å; R470-V473 PolarHBondContact O-N 3.25Å; E471-V473 VanDerWaalsContact C-N 3.32Å; E471-V473 PolarHBondContact O-N 3.11Å; V473-G477 WeakPolarHBondContact O-CA 3.26Å; V473-G477 PolarHBondContact O-N 3.21Å; V473-Y488 HydrophobicContact CG1-CE2 4.21Å; V473-Y488 WeakPolarHBondContact O-CE2 3.47Å; V473-L491 HydrophobicContact CG2-CB 3.44Å; V473-L491 VanDerWaalsContact CG2-CB 3.44Å; V473-L498 HydrophobicContact CB-CD1 4.34Å; V473-L498 HydrophobicContact CG1-CB 4.31Å; V473-L498 HydrophobicContact CG1-CD1 4.31Å; V473-L498 HydrophobicContact CG1-CG 4.22Å
474	R	94.5	Very high	94.6	Very high	45 Å²	45	61 Å²	61	17%	0.17	30%	0.297	C	S	.	.	H	α-helix	trans	-64.3	-41.9	176.2	-71.3	-178.4	-165.7	105	-6.4	111.9	R470 E471 Q478 L498 Q499	R470-R474 WeakPolarHBondContact O-CG 3.48Å; R470-R474 PolarHBondContact O-N 2.84Å; E471-R474 WeakPolarHBondContact O-CB 3.5Å; E471-R474 PolarHBondContact O-N 3.31Å; E471-R474 VanDerWaalsContact O-N 3.08Å; R474-Q478 WeakPolarHBondContact O-CG 3.43Å; R474-Q478 PolarHBondContact O-NE2 3.26Å; R474-L498 HydrophobicContact CG-CB 3.59Å; R474-L498 HydrophobicContact CG-CD1 4.25Å; R474-Q499 WeakPolarHBondContact CD-O 3.14Å
475	Y	93	Very high	94.4	Very high	95 Å²	95	59.4 Å²	59.4	37%	0.373	29%	0.292	S	S	.	.	H	α-helix	trans	-64.5	-61.1	-179.2	-179.3	-91.5	0	0	0	111.2	W436 H444 E471 F472 G477 Q478 M479	W436-Y475 AromaticContact CH2-CE1 3.95Å; W436-Y475 HydrophobicContact CH2-CE1 3.95Å; W436-Y475 AromaticContact CH2-CE2 3.96Å; W436-Y475 HydrophobicContact CH2-CE2 3.96Å; W436-Y475 AromaticContact CH2-CZ 3.57Å; W436-Y475 HydrophobicContact CZ3-CE2 4.33Å; H444-Y475 AromaticContact CE1-CD1 3.85Å; E471-Y475 WeakPolarHBondContact O-CB 3.46Å; E471-Y475 PolarHBondContact O-N 2.86Å; F472-Y475 PolarHBondContact O-N 2.66Å; Y475-G477 VanDerWaalsContact C-N 3.29Å; Y475-G477 PolarHBondContact O-N 3.18Å; Y475-Q478 PolarHBondContact O-N 2.87Å; Y475-M479 HydrophobicContact CE1-SD 3.97Å
476	Y	94.3	Very high	94.1	Very high	17 Å²	17	63.7 Å²	63.7	7%	0.067	32%	0.318	C	S	.	.	H	α-helix	trans	-72.5	-20.9	-177.1	-75.6	-70.7	0	0	0	113.5	H444 R448 F472 Q478 M479 R484 P485 Y488	H444-Y476 AromaticContact CE1-CE2 3.56Å; H444-Y476 AromaticContact ND1-CE2 3.95Å; R448-Y476 PolarHBondContact NH2-OH 3.38Å; F472-Y476 AromaticContact CD1-CD2 3.74Å; F472-Y476 HydrophobicContact CD1-CD2 3.74Å; F472-Y476 HydrophobicContact CD1-CE2 4.29Å; F472-Y476 HydrophobicContact CD2-CD2 4.06Å; F472-Y476 AromaticContact CD2-CE2 3.85Å; F472-Y476 HydrophobicContact CD2-CE2 3.85Å; F472-Y476 AromaticContact CE1-CD2 3.52Å; F472-Y476 HydrophobicContact CE1-CD2 3.52Å; F472-Y476 AromaticContact CE1-CE2 3.88Å; F472-Y476 HydrophobicContact CE1-CE2 3.88Å; F472-Y476 HydrophobicContact CE1-CG 4.48Å; F472-Y476 AromaticContact CE2-CD2 3.88Å; F472-Y476 HydrophobicContact CE2-CD2 3.88Å; F472-Y476 AromaticContact CE2-CE2 3.41Å; F472-Y476 HydrophobicContact CE2-CE2 3.41Å; F472-Y476 VanDerWaalsContact CE2-CE2 3.41Å; F472-Y476 HydrophobicContact CG-CD2 4.02Å; F472-Y476 HydrophobicContact CG-CE2 4.29Å; F472-Y476 AromaticContact CZ-CD2 3.62Å; F472-Y476 HydrophobicContact CZ-CD2 3.62Å; F472-Y476 AromaticContact CZ-CE2 3.44Å; F472-Y476 HydrophobicContact CZ-CE2 3.44Å; F472-Y476 VanDerWaalsContact CZ-CE2 3.44Å; F472-Y476 PolarHBondContact O-N 3.3Å; Y476-Q478 PolarHBondContact O-N 2.98Å; Y476-M479 HydrophobicContact CD1-CG 4.49Å; Y476-M479 HydrophobicContact CD1-SD 3.5Å; Y476-M479 WeakPolarHBondContact CD1-SD 3.3Å; Y476-M479 HydrophobicContact CE1-SD 3.74Å; Y476-M479 WeakPolarHBondContact O-CB 3.45Å; Y476-M479 PolarHBondContact O-N 3.1Å; Y476-R484 PolarHBondContact O-NE 3.02Å; Y476-P485 HydrophobicContact CD1-CG 4.16Å; Y476-P485 HydrophobicContact CD2-CG 3.99Å; Y476-P485 VanDerWaalsContact CE1-CD 3.47Å; Y476-P485 HydrophobicContact CE1-CG 4.05Å; Y476-P485 HydrophobicContact CE2-CG 3.87Å; Y476-P485 HydrophobicContact CG-CG 4.15Å; Y476-Y488 VanDerWaalsContact CB-CD2 3.47Å
477	G	92.9	Very high	94	Very high	16 Å²	16	61.2 Å²	61.2	17%	0.165	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-16.4	176	0	0	0	0	0	114.3	V473 Y475 R484 Y488	V473-G477 WeakPolarHBondContact O-CA 3.26Å; V473-G477 PolarHBondContact O-N 3.21Å; Y475-G477 VanDerWaalsContact C-N 3.29Å; Y475-G477 PolarHBondContact O-N 3.18Å; G477-R484 PolarHBondContact O-NH2 2.91Å; G477-Y488 VanDerWaalsContact CA-OH 3.25Å; G477-Y488 WeakPolarHBondContact CA-OH 3.36Å; G477-Y488 VanDerWaalsContact N-CE2 3.34Å
478	Q	90.9	Very high	93.9	Very high	131 Å²	131	58 Å²	58	61%	0.612	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-11.3	173.7	-64.2	172.3	80.8	0	0	112.8	R474 Y475 Y476 P500	R474-Q478 WeakPolarHBondContact O-CG 3.43Å; R474-Q478 PolarHBondContact O-NE2 3.26Å; Y475-Q478 PolarHBondContact O-N 2.87Å; Y476-Q478 PolarHBondContact O-N 2.98Å; Q478-P500 HydrophobicContact CG-CG 3.94Å
479	M	91.8	Very high	93.8	Very high	65 Å²	65	61.8 Å²	61.8	32%	0.32	30%	0.296	S	S	.	.	S	Bend	trans	-91.3	160.5	-179.9	-56	-172.5	84.5	0	0	111.9	Y475 Y476 K483 R484	Y475-M479 HydrophobicContact CE1-SD 3.97Å; Y476-M479 HydrophobicContact CD1-CG 4.49Å; Y476-M479 HydrophobicContact CD1-SD 3.5Å; Y476-M479 WeakPolarHBondContact CD1-SD 3.3Å; Y476-M479 HydrophobicContact CE1-SD 3.74Å; Y476-M479 WeakPolarHBondContact O-CB 3.45Å; Y476-M479 PolarHBondContact O-N 3.1Å; M479-K483 HydrophobicContact CB-CB 4.46Å; M479-K483 HydrophobicContact CE-CB 4.3Å; M479-K483 HydrophobicContact CE-CD 4.26Å; M479-R484 PolarHBondContact O-NE 3.21Å; M479-R484 PolarHBondContact O-NH2 3.15Å
480	D	92.8	Very high	93.7	Very high	89 Å²	89	63.3 Å²	63.3	48%	0.476	31%	0.31	S	S	.	.			trans	-57.4	142.1	171.8	-58.3	-46.8	0	0	0	110.7	D482 K483 R484	D480-D482 PolarHBondContact O-N 3.06Å; D480-D482 VanDerWaalsContact O-N 3.1Å; D480-K483 HydrophobicContact CB-CD 4.39Å; D480-K483 PolarHBondContact O-N 3.33Å; D480-K483 IonicContact OD2-NZ 3.7Å; D480-K483 PolarHBondContact OD2-NZ 3Å; D480-R484 WeakPolarHBondContact O-CG 3.38Å
481	P	91.8	Very high	93.7	Very high	72 Å²	72	59.3 Å²	59.3	47%	0.468	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-49.8	-37.9	-178.5	-30.1	36.7	0	0	0	114.7	K483 R484 W489	P481-K483 PolarHBondContact O-N 2.94Å; P481-R484 WeakPolarHBondContact O-CB 3.2Å; P481-R484 PolarHBondContact O-N 3.23Å; P481-W489 HydrophobicContact CB-CH2 4.19Å; P481-W489 HydrophobicContact CB-CZ2 4.21Å
482	D	92	Very high	93.8	Very high	162 Å²	162	57.9 Å²	57.9	87%	0.866	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-70.8	-17.2	-177.4	-53.7	-35.2	0	0	0	113.6	D480	D480-D482 PolarHBondContact O-N 3.06Å; D480-D482 VanDerWaalsContact O-N 3.1Å
483	K	91.5	Very high	93.8	Very high	126 Å²	126	67.4 Å²	67.4	55%	0.548	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-96.1	-0.8	177.8	-63.8	175.1	-175.8	150.1	0	112.6	M479 D480 P481	M479-K483 HydrophobicContact CB-CB 4.46Å; M479-K483 HydrophobicContact CE-CB 4.3Å; M479-K483 HydrophobicContact CE-CD 4.26Å; D480-K483 HydrophobicContact CB-CD 4.39Å; D480-K483 PolarHBondContact O-N 3.33Å; D480-K483 IonicContact OD2-NZ 3.7Å; D480-K483 PolarHBondContact OD2-NZ 3Å; P481-K483 PolarHBondContact O-N 2.94Å
484	R	93.7	Very high	93.7	Very high	34 Å²	34	74.6 Å²	74.6	13%	0.128	35%	0.351	C	S	.	.	S	Bend	trans	-85.8	125.9	-176.3	-58.9	-177.9	-172.5	-177.7	-7.4	109.2	Y476 G477 M479 D480 P481 Y488 W489	Y476-R484 PolarHBondContact O-NE 3.02Å; G477-R484 PolarHBondContact O-NH2 2.91Å; M479-R484 PolarHBondContact O-NE 3.21Å; M479-R484 PolarHBondContact O-NH2 3.15Å; D480-R484 WeakPolarHBondContact O-CG 3.38Å; P481-R484 WeakPolarHBondContact O-CB 3.2Å; P481-R484 PolarHBondContact O-N 3.23Å; R484-Y488 HydrophobicContact CB-CD1 4.03Å; R484-Y488 HydrophobicContact CB-CG 4.11Å; R484-Y488 VanDerWaalsContact CD-CD1 3.49Å; R484-Y488 VanDerWaalsContact CD-CE1 3.46Å; R484-Y488 HydrophobicContact CG-CD1 4.28Å; R484-Y488 HydrophobicContact CG-CG 4.46Å; R484-Y488 VanDerWaalsContact NH1-CE1 3.26Å; R484-Y488 PolarHBondContact NH1-OH 3.04Å; R484-W489 HydrophobicContact CB-CZ2 4.31Å
485	P	93.2	Very high	93.7	Very high	19 Å²	19	74.5 Å²	74.5	12%	0.123	35%	0.352	C	S	.	.			trans	-62.5	149.7	175.5	26.5	-33.5	0	0	0	110	F472 Y476 R487 Y488	F472-P485 HydrophobicContact CE1-CG 3.77Å; F472-P485 HydrophobicContact CZ-CB 4.41Å; F472-P485 HydrophobicContact CZ-CG 3.43Å; F472-P485 VanDerWaalsContact CZ-CG 3.43Å; Y476-P485 HydrophobicContact CD1-CG 4.16Å; Y476-P485 HydrophobicContact CD2-CG 3.99Å; Y476-P485 VanDerWaalsContact CE1-CD 3.47Å; Y476-P485 HydrophobicContact CE1-CG 4.05Å; Y476-P485 HydrophobicContact CE2-CG 3.87Å; Y476-P485 HydrophobicContact CG-CG 4.15Å; P485-R487 PolarHBondContact O-N 2.85Å; P485-Y488 WeakPolarHBondContact O-CB 3.47Å; P485-Y488 PolarHBondContact O-N 3.13Å
486	N	91.9	Very high	93.7	Very high	135 Å²	135	71.5 Å²	71.5	72%	0.722	35%	0.351	S	S	*	.	H	α-helix	trans	-51.4	-34.6	-179	-75.9	-23.6	0	0	0	113.1	Y488 W489	N486-Y488 PolarHBondContact O-N 2.96Å; N486-W489 PolarHBondContact O-N 3.43Å
487	R	94.1	Very high	93.4	Very high	39 Å²	39	80.1 Å²	80.1	15%	0.147	38%	0.383	C	S	.	.	H	α-helix	trans	-55.9	-34.9	175.6	-174.9	66.8	178.6	169.5	1.6	113.5	A447 E469 F472 P485 W489 A490 L491	A447-R487 PolarHBondContact O-NE 3Å; A447-R487 PolarHBondContact O-NH2 3.34Å; E469-R487 IonicContact OE1-NH2 3.62Å; E469-R487 PolarHBondContact OE1-NH2 2.85Å; F472-R487 HydrophobicContact CE1-CB 4.28Å; F472-R487 HydrophobicContact CE1-CG 4.28Å; F472-R487 HydrophobicContact CZ-CB 4.31Å; F472-R487 HydrophobicContact CZ-CG 4.4Å; P485-R487 PolarHBondContact O-N 2.85Å; R487-W489 VanDerWaalsContact C-N 3.31Å; R487-W489 PolarHBondContact O-N 3.08Å; R487-A490 PolarHBondContact O-N 3.41Å; R487-L491 HydrophobicContact CG-CD1 4.03Å; R487-L491 HydrophobicContact CG-CG 4.25Å; R487-L491 PolarHBondContact O-N 3.43Å
488	Y	96.1	Very high	93.1	Very high	1 Å²	1	81.1 Å²	81.1	0%	0.004	38%	0.384	C	S	.	.	H	α-helix	trans	-54	-48.3	179.2	171.4	-94.1	0	0	0	111.5	V473 Y476 G477 R484 P485 N486 A490 L491 E492	V473-Y488 HydrophobicContact CG1-CE2 4.21Å; V473-Y488 WeakPolarHBondContact O-CE2 3.47Å; Y476-Y488 VanDerWaalsContact CB-CD2 3.47Å; G477-Y488 VanDerWaalsContact CA-OH 3.25Å; G477-Y488 WeakPolarHBondContact CA-OH 3.36Å; G477-Y488 VanDerWaalsContact N-CE2 3.34Å; R484-Y488 HydrophobicContact CB-CD1 4.03Å; R484-Y488 HydrophobicContact CB-CG 4.11Å; R484-Y488 VanDerWaalsContact CD-CD1 3.49Å; R484-Y488 VanDerWaalsContact CD-CE1 3.46Å; R484-Y488 HydrophobicContact CG-CD1 4.28Å; R484-Y488 HydrophobicContact CG-CG 4.46Å; R484-Y488 VanDerWaalsContact NH1-CE1 3.26Å; R484-Y488 PolarHBondContact NH1-OH 3.04Å; P485-Y488 WeakPolarHBondContact O-CB 3.47Å; P485-Y488 PolarHBondContact O-N 3.13Å; N486-Y488 PolarHBondContact O-N 2.96Å; Y488-A490 VanDerWaalsContact C-N 3.28Å; Y488-A490 PolarHBondContact O-N 2.93Å; Y488-L491 PolarHBondContact O-N 2.99Å; Y488-L491 VanDerWaalsContact O-N 3.12Å; Y488-E492 HydrophobicContact CE1-CB 4.2Å; Y488-E492 WeakPolarHBondContact O-CB 3.47Å; Y488-E492 PolarHBondContact O-N 3.4Å; Y488-E492 PolarHBondContact OH-OE1 3.04Å
489	W	95.5	Very high	92.6	Very high	82 Å²	82	82.9 Å²	82.9	31%	0.311	39%	0.392	S	S	.	.	H	α-helix	trans	-65.7	-32.7	-177	-55.2	112.4	0	0	0	112.3	P481 R484 N486 R487 R493	P481-W489 HydrophobicContact CB-CH2 4.19Å; P481-W489 HydrophobicContact CB-CZ2 4.21Å; R484-W489 HydrophobicContact CB-CZ2 4.31Å; N486-W489 PolarHBondContact O-N 3.43Å; R487-W489 VanDerWaalsContact C-N 3.31Å; R487-W489 PolarHBondContact O-N 3.08Å; W489-R493 VanDerWaalsContact O-CG 3.28Å; W489-R493 WeakPolarHBondContact O-CG 3.5Å; W489-R493 PolarHBondContact O-N 3.4Å; W489-R493 PolarHBondContact O-NH1 2.98Å
490	A	94.8	Very high	92	Very high	38 Å²	38	83.1 Å²	83.1	31%	0.314	40%	0.399	S	S	.	.	H	α-helix	trans	-68.2	-41.3	173.8	0	0	0	0	0	111.7	R487 Y488 R494	R487-A490 PolarHBondContact O-N 3.41Å; Y488-A490 VanDerWaalsContact C-N 3.28Å; Y488-A490 PolarHBondContact O-N 2.93Å; A490-R494 PolarHBondContact O-N 3.27Å
491	L	96.8	Very high	91.3	Very high	1 Å²	1	85.1 Å²	85.1	1%	0.005	41%	0.409	C	S	.	.	H	α-helix	trans	-73.5	-37.4	178.8	-66.2	-179.6	0	0	0	112.6	A447 E469 F472 V473 R487 Y488 R493 R494 H495	A447-L491 HydrophobicContact CB-CD1 4.21Å; E469-L491 HydrophobicContact CB-CD1 4.22Å; E469-L491 HydrophobicContact CB-CD2 3.93Å; E469-L491 VanDerWaalsContact CD-CD2 3.47Å; E469-L491 HydrophobicContact CG-CD1 4.22Å; E469-L491 HydrophobicContact CG-CD2 3.63Å; F472-L491 HydrophobicContact CB-CD1 4.25Å; F472-L491 HydrophobicContact CD1-CD1 3.7Å; F472-L491 HydrophobicContact CE1-CD1 4.31Å; F472-L491 HydrophobicContact CG-CD1 4.15Å; V473-L491 HydrophobicContact CG2-CB 3.44Å; V473-L491 VanDerWaalsContact CG2-CB 3.44Å; R487-L491 HydrophobicContact CG-CD1 4.03Å; R487-L491 HydrophobicContact CG-CG 4.25Å; R487-L491 PolarHBondContact O-N 3.43Å; Y488-L491 PolarHBondContact O-N 2.99Å; Y488-L491 VanDerWaalsContact O-N 3.12Å; L491-R493 VanDerWaalsContact C-N 3.33Å; L491-R493 PolarHBondContact O-N 3.34Å; L491-R494 PolarHBondContact O-N 3.39Å; L491-H495 PolarHBondContact O-CD2 3.3Å; L491-H495 PolarHBondContact O-N 2.88Å
492	E	96.4	Very high	90.3	Very high	46 Å²	46	85.3 Å²	85.3	22%	0.215	42%	0.417	C	S	.	.	H	α-helix	trans	-62.1	-40.3	174.4	-174.8	-176.5	-136.2	0	0	111.1	Y488 R494 G496	Y488-E492 HydrophobicContact CE1-CB 4.2Å; Y488-E492 WeakPolarHBondContact O-CB 3.47Å; Y488-E492 PolarHBondContact O-N 3.4Å; Y488-E492 PolarHBondContact OH-OE1 3.04Å; E492-R494 PolarHBondContact O-N 2.82Å; E492-G496 CarbonylContact O-C 3.56Å; E492-G496 WeakPolarHBondContact O-CA 3.34Å; E492-G496 PolarHBondContact O-N 2.97Å
493	R	96	Very high	89.1	Confident	201 Å²	201	85.7 Å²	85.7	76%	0.758	42%	0.419	S	S	*	.	H	α-helix	trans	-62	-29.1	173.6	-72.8	179.7	-147.8	114.4	0.6	113	W489 L491	W489-R493 VanDerWaalsContact O-CG 3.28Å; W489-R493 WeakPolarHBondContact O-CG 3.5Å; W489-R493 PolarHBondContact O-N 3.4Å; W489-R493 PolarHBondContact O-NH1 2.98Å; L491-R493 VanDerWaalsContact C-N 3.33Å; L491-R493 PolarHBondContact O-N 3.34Å
494	R	94.4	Very high	87.8	Confident	152 Å²	152	85.1 Å²	85.1	57%	0.574	42%	0.421	S	S	*	.	H	α-helix	trans	-85.5	-47.6	-178.8	-177.3	-176.8	-68.1	177.8	-5.5	112.6	E469 A490 L491 E492	E469-R494 IonicContact OE1-NH1 3.79Å; E469-R494 PolarHBondContact OE1-NH1 3.31Å; E469-R494 IonicContact OE2-NH1 2.65Å; E469-R494 PolarHBondContact OE2-NH1 3.12Å; A490-R494 PolarHBondContact O-N 3.27Å; L491-R494 PolarHBondContact O-N 3.39Å; E492-R494 PolarHBondContact O-N 2.82Å
495	H	93.6	Very high	86.5	Confident	43 Å²	43	89.5 Å²	89.5	20%	0.199	45%	0.446	C	S	.	.	H	α-helix	trans	-100.4	-9	-171.3	-65.8	-67	0	0	0	113.9	E469 R470 L491 L498	E469-H495 VanDerWaalsContact CB-NE2 3.34Å; E469-H495 WeakPolarHBondContact CB-NE2 3.47Å; E469-H495 IonicContact OE2-CD2 2.6Å; E469-H495 IonicContact OE2-CE1 3Å; E469-H495 IonicContact OE2-NE2 3.01Å; E469-H495 PolarHBondContact OE2-NE2 2.97Å; R470-H495 HydrophobicContact CG-CB 4.41Å; L491-H495 PolarHBondContact O-CD2 3.3Å; L491-H495 PolarHBondContact O-N 2.88Å; H495-L498 HydrophobicContact CB-CD1 4.43Å
496	G	92.6	Very high	85.4	Confident	33 Å²	33	96 Å²	96	34%	0.34	48%	0.479	S	S	.	.			trans	73.8	180	-170.1	0	0	0	0	0	112.6	E492 L498	E492-G496 CarbonylContact O-C 3.56Å; E492-G496 WeakPolarHBondContact O-CA 3.34Å; E492-G496 PolarHBondContact O-N 2.97Å; G496-L498 PolarHBondContact O-N 3.47Å
497	R	88.1	Confident	84.5	Confident	197 Å²	197	92.9 Å²	92.9	74%	0.743	47%	0.468	S	S	*	.			trans	-79.4	110.1	175.7	-172.6	174.7	-179.1	179.4	2.1	110
498	L	86.4	Confident	83.4	Confident	38 Å²	38	96.3 Å²	96.3	20%	0.199	50%	0.495	C	S	.	.	P	Polyproline II helix	trans	-92.7	135.1	-179.8	-59.6	176.8	0	0	0	111.1	R470 V473 R474 H495 G496	R470-L498 HydrophobicContact CB-CD1 3.57Å; R470-L498 HydrophobicContact CG-CD1 3.79Å; R470-L498 WeakPolarHBondContact O-CD1 3.24Å; V473-L498 HydrophobicContact CB-CD1 4.34Å; V473-L498 HydrophobicContact CG1-CB 4.31Å; V473-L498 HydrophobicContact CG1-CD1 4.31Å; V473-L498 HydrophobicContact CG1-CG 4.22Å; R474-L498 HydrophobicContact CG-CB 3.59Å; R474-L498 HydrophobicContact CG-CD1 4.25Å; H495-L498 HydrophobicContact CB-CD1 4.43Å; G496-L498 PolarHBondContact O-N 3.47Å
499	Q	80.5	Confident	82.4	Confident	167 Å²	167	104.8 Å²	104.8	78%	0.78	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-76.1	153.8	172	-67.4	-171.5	-0.5	0	0	110.9	R474	R474-Q499 WeakPolarHBondContact CD-O 3.14Å
500	P	79.5	Confident	81.9	Confident	71 Å²	71	105.8 Å²	105.8	46%	0.461	54%	0.54	S	S	.	.	P	Polyproline II helix	trans	-53.8	143.4	170	-23.4	34.1	0	0	0	111.1	Q478 A502	Q478-P500 HydrophobicContact CG-CG 3.94Å; P500-A502 PolarHBondContact O-N 3.31Å
501	L	77.6	Confident	81.7	Confident	130 Å²	130	108.9 Å²	108.9	68%	0.681	55%	0.548	S	S	*	.	P	Polyproline II helix	trans	-65.2	135	175.6	-66.3	174.5	0	0	0	109.5	N503	L501-N503 PolarHBondContact O-N 3.47Å
502	A	71.1	Confident	81.5	Confident	77 Å²	77	109.9 Å²	109.9	64%	0.636	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-66.5	132.1	172.4	0	0	0	0	0	109.2	P500 I504	P500-A502 PolarHBondContact O-N 3.31Å; A502-I504 VanDerWaalsContact C-N 3.3Å; A502-I504 HydrophobicContact CB-CD1 3.97Å; A502-I504 HydrophobicContact CB-CG1 3.83Å; A502-I504 PolarHBondContact O-N 2.92Å
503	N	66.6	Low	81.4	Confident	170 Å²	170	114.4 Å²	114.4	91%	0.909	57%	0.569	S	S	*	*			trans	-74.1	86.3	173	-171.4	12	0	0	0	109.2	L501	L501-N503 PolarHBondContact O-N 3.47Å
504	I	65.1	Low	81.4	Confident	114 Å²	114	104.9 Å²	104.9	59%	0.585	53%	0.533	S	S	*	.			trans	-104.5	113.5	179.4	-57.2	172.5	0	0	0	108	A502 L506	A502-I504 VanDerWaalsContact C-N 3.3Å; A502-I504 HydrophobicContact CB-CD1 3.97Å; A502-I504 HydrophobicContact CB-CG1 3.83Å; A502-I504 PolarHBondContact O-N 2.92Å; I504-L506 HydrophobicContact CG2-CD2 3.68Å; I504-L506 HydrophobicContact CG2-CG 4.1Å; I504-L506 PolarHBondContact O-N 2.93Å; I504-L506 VanDerWaalsContact O-N 3.13Å
505	D	66.6	Low	81.5	Confident	125 Å²	125	100.9 Å²	100.9	67%	0.668	52%	0.518	S	S	*	.			trans	-72	103.5	168.7	-176.9	6.4	0	0	0	109.3	S507	D505-S507 VanDerWaalsContact C-N 3.28Å; D505-S507 WeakPolarHBondContact OD1-CB 3.14Å; D505-S507 PolarHBondContact OD1-N 3.13Å; D505-S507 PolarHBondContact OD1-OG 3.15Å; D505-S507 PolarHBondContact OD2-OG 2.63Å
506	L	70.1	Confident	81.7	Confident	155 Å²	155	98.9 Å²	98.9	81%	0.812	51%	0.508	S	S	*	.			trans	-88.3	7.6	176.8	-64.6	174.8	0	0	0	112.6	I504	I504-L506 HydrophobicContact CG2-CD2 3.68Å; I504-L506 HydrophobicContact CG2-CG 4.1Å; I504-L506 PolarHBondContact O-N 2.93Å; I504-L506 VanDerWaalsContact O-N 3.13Å
507	S	73.2	Confident	81.8	Confident	70 Å²	70	98 Å²	98	49%	0.49	50%	0.497	S	S	.	.	S	Bend	trans	-63.6	138.6	177.1	67.1	0	0	0	0	110.8	D505 K509	D505-S507 VanDerWaalsContact C-N 3.28Å; D505-S507 WeakPolarHBondContact OD1-CB 3.14Å; D505-S507 PolarHBondContact OD1-N 3.13Å; D505-S507 PolarHBondContact OD1-OG 3.15Å; D505-S507 PolarHBondContact OD2-OG 2.63Å; S507-K509 PolarHBondContact O-N 3.35Å
508	P	70	Confident	82.1	Confident	111 Å²	111	90 Å²	90	72%	0.721	47%	0.468	S	S	*	.			trans	-57.4	133.8	-178	-24.2	32.2	0	0	0	111.7	Q510	P508-Q510 PolarHBondContact O-N 3.04Å
509	K	74.9	Confident	82.1	Confident	180 Å²	180	93.5 Å²	93.5	78%	0.783	50%	0.495	S	S	*	.			trans	-59.5	114.1	175.5	-70.6	-177.4	-179.1	175.3	0	110	S507	S507-K509 PolarHBondContact O-N 3.35Å
510	Q	86.5	Confident	82.4	Confident	102 Å²	102	89.2 Å²	89.2	48%	0.477	50%	0.496	S	S	.	.			trans	-85	-22	-179.2	-61.2	-171.5	1.8	0	0	113.5	P508 N528 V529	P508-Q510 PolarHBondContact O-N 3.04Å; Q510-N528 CarbonylContact O-C 3.3Å; Q510-N528 VanDerWaalsContact O-CA 3.23Å; Q510-N528 WeakPolarHBondContact O-CA 3.46Å; Q510-V529 PolarHBondContact O-N 3.28Å
511	H	90.8	Very high	82.9	Confident	103 Å²	103	91.6 Å²	91.6	48%	0.477	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	126	-174.5	-66.5	84.5	0	0	0	110.6	I527	H511-I527 WeakPolarHBondContact CA-O 3.27Å
512	I	91.2	Very high	83.8	Confident	23 Å²	23	89.8 Å²	89.8	12%	0.118	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	134.5	-174.8	-55.5	-171.5	0	0	0	109.7	V514 N526 I527 V529 I585 E586	I512-V514 HydrophobicContact CG2-CG1 4.24Å; I512-V514 PolarHBondContact O-N 3.02Å; I512-N526 PolarHBondContact N-OD1 2.93Å; I512-N526 PolarHBondContact O-OD1 2.91Å; I512-I527 PolarHBondContact N-O 3.19Å; I512-I527 WeakPolarHBondContact O-CG2 3.23Å; I512-I527 PolarHBondContact O-N 2.84Å; I512-V529 HydrophobicContact CB-CG1 4.26Å; I512-V529 HydrophobicContact CD1-CG1 3.45Å; I512-V529 VanDerWaalsContact CD1-CG1 3.45Å; I512-V529 HydrophobicContact CG1-CG1 3.73Å; I512-I585 WeakPolarHBondContact CD1-O 3.47Å; I512-I585 HydrophobicContact CG2-CG2 4.11Å; I512-E586 VanDerWaalsContact CG2-C 3.42Å; I512-E586 WeakPolarHBondContact CG2-O 2.98Å
513	R	94.7	Very high	85	Confident	141 Å²	141	88 Å²	88	53%	0.532	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	109.4	-176	-166.7	-171.7	-178.2	179.7	0.3	110.3	W524 Y525 T587 G588	R513-W524 HydrophobicContact CG-CE3 3.79Å; R513-W524 HydrophobicContact CG-CZ3 4.25Å; R513-Y525 CarbonylContact C-O 3.54Å; R513-Y525 WeakPolarHBondContact CA-O 3.21Å; R513-T587 HydrophobicContact CB-CG2 4.13Å; R513-T587 CarbonylContact O-C 3.59Å; R513-T587 VanDerWaalsContact O-CA 3.27Å; R513-T587 WeakPolarHBondContact O-CA 3.41Å; R513-G588 PolarHBondContact O-N 3.2Å
514	V	95.9	Very high	86.3	Confident	0 Å²	0	85.5 Å²	85.5	0%	0	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	162.4	-175	-59.3	0	0	0	0	111.1	I512 V516 W524 Y525 I527 I585 F591	I512-V514 HydrophobicContact CG2-CG1 4.24Å; I512-V514 PolarHBondContact O-N 3.02Å; V514-V516 HydrophobicContact CG2-CG2 4.18Å; V514-W524 WeakPolarHBondContact O-CA 3.38Å; V514-Y525 WeakPolarHBondContact CG2-O 3.22Å; V514-Y525 PolarHBondContact N-O 3.26Å; V514-Y525 PolarHBondContact O-N 3.01Å; V514-I527 HydrophobicContact CG1-CG2 3.92Å; V514-I527 HydrophobicContact CG2-CB 4.35Å; V514-I527 HydrophobicContact CG2-CG2 3.87Å; V514-I585 HydrophobicContact CG1-CG2 3.54Å; V514-F591 HydrophobicContact CB-CD2 4.03Å; V514-F591 HydrophobicContact CB-CE2 4.09Å; V514-F591 HydrophobicContact CG1-CD2 4.39Å; V514-F591 HydrophobicContact CG1-CE2 3.93Å; V514-F591 HydrophobicContact CG2-CD2 4Å; V514-F591 HydrophobicContact CG2-CE2 4.2Å
515	R	96.6	Very high	87.8	Confident	69 Å²	69	82.8 Å²	82.8	26%	0.26	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	136.7	169.1	-66.1	179.4	-70.1	151.4	-2.3	108.8	E522 W524 G588 D589 L590 F591	R515-E522 HydrophobicContact CB-CG 4.16Å; R515-E522 WeakPolarHBondContact CD-OE1 3.23Å; R515-E522 IonicContact NH1-OE2 2.81Å; R515-W524 HydrophobicContact CG-CD2 3.77Å; R515-W524 HydrophobicContact CG-CE3 3.76Å; R515-W524 HydrophobicContact CG-CH2 3.62Å; R515-W524 HydrophobicContact CG-CZ2 3.54Å; R515-W524 HydrophobicContact CG-CZ3 3.71Å; R515-G588 PolarHBondContact NE-O 3.4Å; R515-G588 PolarHBondContact NH2-O 3.16Å; R515-D589 PolarHBondContact N-O 3.25Å; R515-L590 HydrophobicContact CB-CB 4.45Å; R515-L590 HydrophobicContact CB-CD1 3.73Å; R515-L590 CarbonylContact O-C 3.53Å; R515-L590 WeakPolarHBondContact O-CA 3.41Å; R515-F591 PolarHBondContact O-N 3.01Å
516	V	96.9	Very high	89.2	Confident	0 Å²	0	81.1 Å²	81.1	0%	0	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	125.5	176.3	-166.8	0	0	0	0	107.5	V514 E522 I523 F540 L543 F544 F591	V514-V516 HydrophobicContact CG2-CG2 4.18Å; V516-E522 CarbonylContact O-C 3.54Å; V516-E522 WeakPolarHBondContact O-CA 3.45Å; V516-I523 PolarHBondContact N-O 2.84Å; V516-I523 PolarHBondContact O-N 3.18Å; V516-F540 HydrophobicContact CB-CD1 4.32Å; V516-F540 HydrophobicContact CG1-CB 3.82Å; V516-F540 HydrophobicContact CG1-CD1 3.75Å; V516-F540 HydrophobicContact CG1-CD2 4.31Å; V516-F540 HydrophobicContact CG1-CE1 4.34Å; V516-F540 HydrophobicContact CG1-CG 3.72Å; V516-F540 HydrophobicContact CG2-CD1 3.59Å; V516-F540 HydrophobicContact CG2-CE1 3.47Å; V516-F540 VanDerWaalsContact CG2-CE1 3.47Å; V516-F540 HydrophobicContact CG2-CG 4.35Å; V516-F540 HydrophobicContact CG2-CZ 4.14Å; V516-L543 HydrophobicContact CB-CD1 4.37Å; V516-L543 HydrophobicContact CG2-CD1 4.2Å; V516-F544 HydrophobicContact CB-CE2 4.48Å; V516-F544 HydrophobicContact CG1-CE2 3.84Å; V516-F544 HydrophobicContact CG1-CZ 4.45Å; V516-F591 CarbonylContact C-O 3.48Å; V516-F591 VanDerWaalsContact CA-O 3.26Å; V516-F591 WeakPolarHBondContact CA-O 3.46Å; V516-F591 HydrophobicContact CG1-CB 4.4Å
517	T	95.9	Very high	90.3	Very high	16 Å²	16	73.8 Å²	73.8	10%	0.098	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	144.6	-178.1	-165.9	0	0	0	0	112.5	K521 L590 F591 E592 L593	T517-K521 VanDerWaalsContact CA-O 3.28Å; T517-K521 WeakPolarHBondContact CA-O 2.97Å; T517-K521 PolarHBondContact OG1-O 2.94Å; T517-L590 HydrophobicContact CG2-CD1 3.74Å; T517-L590 HydrophobicContact CG2-CD2 4.39Å; T517-L590 HydrophobicContact CG2-CG 4.36Å; T517-F591 PolarHBondContact N-O 3.05Å; T517-E592 HydrophobicContact CG2-CB 3.71Å; T517-E592 HydrophobicContact CG2-CG 3.59Å; T517-E592 WeakPolarHBondContact O-CA 3.42Å; T517-L593 PolarHBondContact O-N 2.94Å
518	M	93.1	Very high	91.3	Very high	28 Å²	28	72.3 Å²	72.3	14%	0.138	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	127.9	172.2	-167.6	-174.6	83.8	0	0	109	G520 K521 F544 I546 L593	M518-G520 PolarHBondContact O-N 3.49Å; M518-G520 VanDerWaalsContact O-N 3.16Å; M518-K521 PolarHBondContact N-O 3.21Å; M518-K521 PolarHBondContact O-N 2.88Å; M518-F544 HydrophobicContact CB-CD1 3.87Å; M518-F544 HydrophobicContact CB-CD2 3.78Å; M518-F544 HydrophobicContact CB-CE1 3.83Å; M518-F544 HydrophobicContact CB-CE2 3.75Å; M518-F544 HydrophobicContact CB-CG 3.86Å; M518-F544 HydrophobicContact CB-CZ 3.78Å; M518-F544 HydrophobicContact CE-CB 3.41Å; M518-F544 VanDerWaalsContact CE-CB 3.41Å; M518-F544 HydrophobicContact CE-CD1 4.17Å; M518-F544 HydrophobicContact CE-CG 3.83Å; M518-F544 HydrophobicContact SD-CB 3.83Å; M518-F544 HydrophobicContact SD-CD2 4.13Å; M518-F544 HydrophobicContact SD-CG 3.97Å; M518-I546 HydrophobicContact CE-CD1 3.69Å; M518-I546 HydrophobicContact CE-CG1 4.4Å; M518-I546 HydrophobicContact SD-CD1 3.44Å; M518-I546 WeakPolarHBondContact SD-CD1 3.47Å; M518-L593 HydrophobicContact CB-CB 4.09Å; M518-L593 HydrophobicContact CG-CB 3.84Å; M518-L593 HydrophobicContact SD-CB 4.22Å; M518-L593 HydrophobicContact SD-CD1 4.25Å
519	S	87.1	Confident	92.3	Very high	111 Å²	111	67.6 Å²	67.6	78%	0.776	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	39.5	177.9	-54.9	0	0	0	0	114.1	K521	S519-K521 VanDerWaalsContact C-N 3.32Å; S519-K521 PolarHBondContact O-N 3.48Å
520	G	86.1	Confident	93.1	Very high	78 Å²	78	63 Å²	63	80%	0.804	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.3	-1.7	179.4	0	0	0	0	0	115.7	M518	M518-G520 PolarHBondContact O-N 3.49Å; M518-G520 VanDerWaalsContact O-N 3.16Å
521	K	91.6	Very high	93.4	Very high	121 Å²	121	59.7 Å²	59.7	53%	0.526	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	121.7	173.3	-177	179.9	173.3	-175	0	110.1	T517 M518 S519 F544	T517-K521 VanDerWaalsContact CA-O 3.28Å; T517-K521 WeakPolarHBondContact CA-O 2.97Å; T517-K521 PolarHBondContact OG1-O 2.94Å; M518-K521 PolarHBondContact N-O 3.21Å; M518-K521 PolarHBondContact O-N 2.88Å; S519-K521 VanDerWaalsContact C-N 3.32Å; S519-K521 PolarHBondContact O-N 3.48Å; K521-F544 HydrophobicContact CB-CE1 4.06Å; K521-F544 HydrophobicContact CD-CD1 4.21Å; K521-F544 HydrophobicContact CD-CE1 4.14Å; K521-F544 HydrophobicContact CG-CE1 4.02Å; K521-F544 VanDerWaalsContact O-CE1 3.28Å; K521-F544 WeakPolarHBondContact O-CE1 3.37Å; K521-F544 WeakPolarHBondContact O-CZ 3.26Å
522	E	95.3	Very high	93.6	Very high	91 Å²	91	58.8 Å²	58.8	43%	0.425	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	139.5	177.3	-168.6	-177.5	110.2	0	0	111.7	R515 V516	R515-E522 HydrophobicContact CB-CG 4.16Å; R515-E522 WeakPolarHBondContact CD-OE1 3.23Å; R515-E522 IonicContact NH1-OE2 2.81Å; V516-E522 CarbonylContact O-C 3.54Å; V516-E522 WeakPolarHBondContact O-CA 3.45Å
523	I	95.9	Very high	93.9	Very high	39 Å²	39	57.9 Å²	57.9	20%	0.2	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	131.5	176.7	-60.2	174.8	0	0	0	108.8	V516 L543 F544	V516-I523 PolarHBondContact N-O 2.84Å; V516-I523 PolarHBondContact O-N 3.18Å; I523-L543 HydrophobicContact CD1-CB 4.01Å; I523-L543 WeakPolarHBondContact CD1-O 3.45Å; I523-L543 HydrophobicContact CG2-CD1 4.44Å; I523-F544 HydrophobicContact CD1-CD1 4.07Å; I523-F544 HydrophobicContact CD1-CE1 3.67Å; I523-F544 HydrophobicContact CD1-CZ 3.91Å; I523-F544 HydrophobicContact CG1-CE1 4.07Å; I523-F544 HydrophobicContact CG1-CZ 4.17Å
524	W	95.9	Very high	93.8	Very high	119 Å²	119	53.2 Å²	53.2	45%	0.451	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	128.3	168.7	-76.8	90.7	0	0	0	110.6	R513 V514 R515	R513-W524 HydrophobicContact CG-CE3 3.79Å; R513-W524 HydrophobicContact CG-CZ3 4.25Å; V514-W524 WeakPolarHBondContact O-CA 3.38Å; R515-W524 HydrophobicContact CG-CD2 3.77Å; R515-W524 HydrophobicContact CG-CE3 3.76Å; R515-W524 HydrophobicContact CG-CH2 3.62Å; R515-W524 HydrophobicContact CG-CZ2 3.54Å; R515-W524 HydrophobicContact CG-CZ3 3.71Å
525	Y	95.6	Very high	93.8	Very high	56 Å²	56	56.7 Å²	56.7	22%	0.22	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	140	-177.1	-174	-105.8	0	0	0	111.4	R513 V514 I527 F540 L543	R513-Y525 CarbonylContact C-O 3.54Å; R513-Y525 WeakPolarHBondContact CA-O 3.21Å; V514-Y525 WeakPolarHBondContact CG2-O 3.22Å; V514-Y525 PolarHBondContact N-O 3.26Å; V514-Y525 PolarHBondContact O-N 3.01Å; Y525-I527 HydrophobicContact CD1-CB 3.88Å; Y525-I527 HydrophobicContact CE1-CB 3.94Å; Y525-I527 HydrophobicContact CE1-CD1 4.42Å; Y525-I527 HydrophobicContact CE1-CG1 4.2Å; Y525-F540 HydrophobicContact CD1-CD1 4.34Å; Y525-F540 AromaticContact CD1-CE1 3.8Å; Y525-F540 HydrophobicContact CD1-CE1 3.8Å; Y525-F540 HydrophobicContact CE1-CE1 4.26Å; Y525-L543 HydrophobicContact CD2-CD1 3.67Å; Y525-L543 HydrophobicContact CD2-CD2 3.76Å; Y525-L543 HydrophobicContact CD2-CG 4.26Å; Y525-L543 HydrophobicContact CE2-CD1 4.33Å; Y525-L543 HydrophobicContact CE2-CD2 3.99Å; Y525-L543 HydrophobicContact CG-CD1 3.79Å
526	N	94.9	Very high	93.7	Very high	91 Å²	91	53.4 Å²	53.4	49%	0.487	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	100	176.4	-162.3	7.6	0	0	0	109.1	I512	I512-N526 PolarHBondContact N-OD1 2.93Å; I512-N526 PolarHBondContact O-OD1 2.91Å
527	I	94.2	Very high	93.6	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	139	-173.7	-168.7	152.1	0	0	0	111.7	H511 I512 V514 Y525 L531 A536 F540 L580	H511-I527 WeakPolarHBondContact CA-O 3.27Å; I512-I527 PolarHBondContact N-O 3.19Å; I512-I527 WeakPolarHBondContact O-CG2 3.23Å; I512-I527 PolarHBondContact O-N 2.84Å; V514-I527 HydrophobicContact CG1-CG2 3.92Å; V514-I527 HydrophobicContact CG2-CB 4.35Å; V514-I527 HydrophobicContact CG2-CG2 3.87Å; Y525-I527 HydrophobicContact CD1-CB 3.88Å; Y525-I527 HydrophobicContact CE1-CB 3.94Å; Y525-I527 HydrophobicContact CE1-CD1 4.42Å; Y525-I527 HydrophobicContact CE1-CG1 4.2Å; I527-L531 HydrophobicContact CG1-CD1 4.19Å; I527-A536 HydrophobicContact CD1-CB 3.84Å; I527-F540 HydrophobicContact CD1-CE1 3.64Å; I527-F540 HydrophobicContact CD1-CE2 4.23Å; I527-F540 HydrophobicContact CD1-CZ 3.33Å; I527-L580 HydrophobicContact CD1-CD1 3.25Å; I527-L580 HydrophobicContact CG1-CD1 3.69Å
528	N	93.3	Very high	93.5	Very high	40 Å²	40	62.1 Å²	62.1	21%	0.214	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	118.7	168.6	-173.2	-39.1	0	0	0	109.9	Q510 N530 L531	Q510-N528 CarbonylContact O-C 3.3Å; Q510-N528 VanDerWaalsContact O-CA 3.23Å; Q510-N528 WeakPolarHBondContact O-CA 3.46Å; N528-N530 PolarHBondContact O-N 2.86Å; N528-N530 VanDerWaalsContact OD1-CB 3.26Å; N528-N530 WeakPolarHBondContact OD1-CB 3.37Å; N528-N530 PolarHBondContact OD1-N 3.42Å; N528-L531 HydrophobicContact CB-CD1 4.2Å; N528-L531 HydrophobicContact CB-CG 4.14Å; N528-L531 WeakPolarHBondContact O-CB 3.44Å; N528-L531 VanDerWaalsContact O-CG 3.31Å; N528-L531 WeakPolarHBondContact O-CG 3.5Å; N528-L531 PolarHBondContact O-N 3.4Å; N528-L531 VanDerWaalsContact O-N 3.15Å
529	V	92.1	Very high	93.5	Very high	12 Å²	12	64.2 Å²	64.2	7%	0.073	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-11.4	-176.4	-64	0	0	0	0	114.1	Q510 I512 L531 L580 Y581 I585	Q510-V529 PolarHBondContact O-N 3.28Å; I512-V529 HydrophobicContact CB-CG1 4.26Å; I512-V529 HydrophobicContact CD1-CG1 3.45Å; I512-V529 VanDerWaalsContact CD1-CG1 3.45Å; I512-V529 HydrophobicContact CG1-CG1 3.73Å; V529-L531 PolarHBondContact O-N 3.31Å; V529-L580 CarbonylContact O-C 3.59Å; V529-L580 WeakPolarHBondContact O-CB 3.49Å; V529-L580 PolarHBondContact O-N 2.71Å; V529-Y581 PolarHBondContact O-N 3.37Å; V529-I585 HydrophobicContact CG1-CD1 4.46Å
530	N	90.7	Very high	93.9	Very high	82 Å²	82	59 Å²	59	44%	0.439	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-6.3	172.6	-63.2	-36.2	0	0	0	112.8	N528	N528-N530 PolarHBondContact O-N 2.86Å; N528-N530 VanDerWaalsContact OD1-CB 3.26Å; N528-N530 WeakPolarHBondContact OD1-CB 3.37Å; N528-N530 PolarHBondContact OD1-N 3.42Å
531	L	93.5	Very high	94.3	Very high	33 Å²	33	55.2 Å²	55.2	17%	0.173	26%	0.255	C	S	.	.	S	Bend	trans	-69.4	148	174	-66.1	172.7	0	0	0	111.6	I527 N528 V529 Q535 L580	I527-L531 HydrophobicContact CG1-CD1 4.19Å; N528-L531 HydrophobicContact CB-CD1 4.2Å; N528-L531 HydrophobicContact CB-CG 4.14Å; N528-L531 WeakPolarHBondContact O-CB 3.44Å; N528-L531 VanDerWaalsContact O-CG 3.31Å; N528-L531 WeakPolarHBondContact O-CG 3.5Å; N528-L531 PolarHBondContact O-N 3.4Å; N528-L531 VanDerWaalsContact O-N 3.15Å; V529-L531 PolarHBondContact O-N 3.31Å; L531-Q535 HydrophobicContact CB-CB 4.32Å; L531-Q535 HydrophobicContact CD2-CB 4.14Å; L531-L580 HydrophobicContact CB-CD1 4.38Å; L531-L580 WeakPolarHBondContact O-CB 3.42Å; L531-L580 WeakPolarHBondContact O-CG 3.42Å; L531-L580 PolarHBondContact O-N 3.43Å
532	K	96	Very high	94.4	Very high	85 Å²	85	53 Å²	53	37%	0.37	25%	0.248	S	C	.	.	B	Isolated β-bridge	trans	-75.4	153.1	167.5	-66.5	177.5	179.5	-179.6	0	110.5	S534 Q535 A536 R578 N579	K532-S534 PolarHBondContact O-N 3.46Å; K532-S534 VanDerWaalsContact O-N 3.13Å; K532-Q535 HydrophobicContact CB-CG 4.42Å; K532-Q535 WeakPolarHBondContact O-CB 3.44Å; K532-Q535 PolarHBondContact O-N 2.89Å; K532-A536 PolarHBondContact O-N 2.73Å; K532-R578 CarbonylContact C-O 3.45Å; K532-R578 WeakPolarHBondContact CA-O 3.2Å; K532-N579 WeakPolarHBondContact CG-OD1 3.45Å
533	V	95.6	Very high	94.3	Very high	4 Å²	4	50.9 Å²	50.9	2%	0.024	24%	0.24	C	C	.	.	H	α-helix	trans	-50.4	-39.8	175.1	169.3	0	0	0	0	112.2	Q535 A536 K537 L573 Y575 R578 L580 Y583	V533-Q535 PolarHBondContact O-N 3.24Å; V533-A536 PolarHBondContact O-N 3.28Å; V533-K537 VanDerWaalsContact O-CB 3.31Å; V533-K537 WeakPolarHBondContact O-CB 3.49Å; V533-K537 PolarHBondContact O-N 2.83Å; V533-L573 HydrophobicContact CG1-CB 3.73Å; V533-L573 HydrophobicContact CG1-CD1 4.48Å; V533-L573 HydrophobicContact CG2-CB 4.34Å; V533-L573 HydrophobicContact CG2-CD1 4.46Å; V533-Y575 WeakPolarHBondContact CB-O 3.2Å; V533-R578 HydrophobicContact CG2-CB 4.46Å; V533-R578 WeakPolarHBondContact CG2-O 3.46Å; V533-R578 PolarHBondContact N-O 3.45Å; V533-L580 HydrophobicContact CG2-CD2 4.21Å; V533-Y583 HydrophobicContact CG2-CE2 3.83Å
534	S	93.8	Very high	94.2	Very high	42 Å²	42	50 Å²	50	29%	0.294	24%	0.235	S	C	.	.	H	α-helix	trans	-63	-38.3	176.7	50.4	0	0	0	0	114.1	K532 R538 P576	K532-S534 PolarHBondContact O-N 3.46Å; K532-S534 VanDerWaalsContact O-N 3.13Å; S534-R538 PolarHBondContact O-N 3.48Å; S534-P576 VanDerWaalsContact CB-O 3.28Å; S534-P576 WeakPolarHBondContact CB-O 3.43Å; S534-P576 PolarHBondContact N-O 3.06Å; S534-P576 PolarHBondContact OG-O 3.38Å
535	Q	95.4	Very high	93.9	Very high	74 Å²	74	51 Å²	51	35%	0.346	25%	0.249	S	C	.	.	H	α-helix	trans	-72.9	-45.1	177.1	-64.9	168.6	-42.3	0	0	110	L531 K532 V533 K537 R538 H539	L531-Q535 HydrophobicContact CB-CB 4.32Å; L531-Q535 HydrophobicContact CD2-CB 4.14Å; K532-Q535 HydrophobicContact CB-CG 4.42Å; K532-Q535 WeakPolarHBondContact O-CB 3.44Å; K532-Q535 PolarHBondContact O-N 2.89Å; V533-Q535 PolarHBondContact O-N 3.24Å; Q535-K537 PolarHBondContact O-N 3.1Å; Q535-R538 WeakPolarHBondContact O-CB 3Å; Q535-R538 PolarHBondContact O-N 3.19Å; Q535-R538 VanDerWaalsContact O-N 3.16Å; Q535-H539 PolarHBondContact O-CD2 3.11Å; Q535-H539 PolarHBondContact O-N 2.93Å
536	A	94.7	Very high	93.6	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-56.7	-49.4	175.8	0	0	0	0	0	112	I527 K532 V533 R538 H539 F540 L580	I527-A536 HydrophobicContact CD1-CB 3.84Å; K532-A536 PolarHBondContact O-N 2.73Å; V533-A536 PolarHBondContact O-N 3.28Å; A536-R538 VanDerWaalsContact C-N 3.28Å; A536-R538 PolarHBondContact O-N 3.14Å; A536-H539 WeakPolarHBondContact O-CB 3.35Å; A536-H539 PolarHBondContact O-N 2.83Å; A536-H539 VanDerWaalsContact O-N 3.11Å; A536-F540 HydrophobicContact CB-CE2 4.22Å; A536-F540 WeakPolarHBondContact O-CD2 3.35Å; A536-F540 VanDerWaalsContact O-CG 3.24Å; A536-F540 WeakPolarHBondContact O-CG 3.47Å; A536-F540 PolarHBondContact O-N 3.42Å; A536-L580 HydrophobicContact CB-CD1 3.63Å; A536-L580 HydrophobicContact CB-CD2 4.19Å; A536-L580 HydrophobicContact CB-CG 4.14Å
537	K	94.8	Very high	93.2	Very high	51 Å²	51	50.3 Å²	50.3	22%	0.222	25%	0.253	C	S	.	.	H	α-helix	trans	-55.9	-42.9	175.7	-172.6	-178	-179.5	-170	0	111.8	V533 Q535 F540 C541 M552 L555 L557 L593	V533-K537 VanDerWaalsContact O-CB 3.31Å; V533-K537 WeakPolarHBondContact O-CB 3.49Å; V533-K537 PolarHBondContact O-N 2.83Å; Q535-K537 PolarHBondContact O-N 3.1Å; K537-F540 PolarHBondContact O-N 2.88Å; K537-C541 PolarHBondContact O-N 2.9Å; K537-C541 PolarHBondContact O-SG 2.67Å; K537-M552 WeakPolarHBondContact CE-O 3.46Å; K537-M552 PolarHBondContact NZ-O 3.12Å; K537-L555 WeakPolarHBondContact CE-O 3.31Å; K537-L555 PolarHBondContact NZ-O 2.86Å; K537-L557 HydrophobicContact CB-CD2 3.99Å; K537-L557 HydrophobicContact CG-CB 4.46Å; K537-L557 HydrophobicContact CG-CD2 4.44Å; K537-L593 HydrophobicContact CG-CD2 4.35Å
538	R	93.8	Very high	92.8	Very high	147 Å²	147	53.6 Å²	53.6	56%	0.555	27%	0.271	S	S	*	.	H	α-helix	trans	-63.1	-45.3	176.4	-171.5	-172.6	-58.9	161.7	1.6	111.7	S534 Q535 A536 F540 C541 N542 M552	S534-R538 PolarHBondContact O-N 3.48Å; Q535-R538 WeakPolarHBondContact O-CB 3Å; Q535-R538 PolarHBondContact O-N 3.19Å; Q535-R538 VanDerWaalsContact O-N 3.16Å; A536-R538 VanDerWaalsContact C-N 3.28Å; A536-R538 PolarHBondContact O-N 3.14Å; R538-F540 VanDerWaalsContact C-N 3.34Å; R538-F540 PolarHBondContact O-N 3.07Å; R538-C541 PolarHBondContact O-N 2.96Å; R538-N542 PolarHBondContact O-N 3.4Å; R538-N542 PolarHBondContact O-OD1 2.92Å; R538-M552 HydrophobicContact CG-CE 4.38Å
539	H	93.9	Very high	92.3	Very high	73 Å²	73	58.9 Å²	58.9	34%	0.338	29%	0.294	S	S	.	.	H	α-helix	trans	-59.7	-45.7	175.8	-74.8	-67.4	0	0	0	111.3	Q535 A536 N542 L543	Q535-H539 PolarHBondContact O-CD2 3.11Å; Q535-H539 PolarHBondContact O-N 2.93Å; A536-H539 WeakPolarHBondContact O-CB 3.35Å; A536-H539 PolarHBondContact O-N 2.83Å; A536-H539 VanDerWaalsContact O-N 3.11Å; H539-N542 WeakPolarHBondContact O-CB 3.31Å; H539-N542 PolarHBondContact O-N 3.25Å; H539-L543 WeakPolarHBondContact O-CG 3.38Å; H539-L543 PolarHBondContact O-N 2.96Å; H539-L543 VanDerWaalsContact O-N 3.16Å
540	F	95.7	Very high	91.9	Very high	0 Å²	0	63 Å²	63	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-63.2	-44.6	178.2	-61.1	-27.9	0	0	0	112.7	V516 Y525 I527 A536 K537 R538 N542 L543 F544 L557 F591 L593	V516-F540 HydrophobicContact CB-CD1 4.32Å; V516-F540 HydrophobicContact CG1-CB 3.82Å; V516-F540 HydrophobicContact CG1-CD1 3.75Å; V516-F540 HydrophobicContact CG1-CD2 4.31Å; V516-F540 HydrophobicContact CG1-CE1 4.34Å; V516-F540 HydrophobicContact CG1-CG 3.72Å; V516-F540 HydrophobicContact CG2-CD1 3.59Å; V516-F540 HydrophobicContact CG2-CE1 3.47Å; V516-F540 VanDerWaalsContact CG2-CE1 3.47Å; V516-F540 HydrophobicContact CG2-CG 4.35Å; V516-F540 HydrophobicContact CG2-CZ 4.14Å; Y525-F540 HydrophobicContact CD1-CD1 4.34Å; Y525-F540 AromaticContact CD1-CE1 3.8Å; Y525-F540 HydrophobicContact CD1-CE1 3.8Å; Y525-F540 HydrophobicContact CE1-CE1 4.26Å; I527-F540 HydrophobicContact CD1-CE1 3.64Å; I527-F540 HydrophobicContact CD1-CE2 4.23Å; I527-F540 HydrophobicContact CD1-CZ 3.33Å; A536-F540 HydrophobicContact CB-CE2 4.22Å; A536-F540 WeakPolarHBondContact O-CD2 3.35Å; A536-F540 VanDerWaalsContact O-CG 3.24Å; A536-F540 WeakPolarHBondContact O-CG 3.47Å; A536-F540 PolarHBondContact O-N 3.42Å; K537-F540 PolarHBondContact O-N 2.88Å; R538-F540 VanDerWaalsContact C-N 3.34Å; R538-F540 PolarHBondContact O-N 3.07Å; F540-N542 VanDerWaalsContact C-N 3.28Å; F540-N542 PolarHBondContact O-N 3.3Å; F540-L543 HydrophobicContact CD1-CD1 4.16Å; F540-L543 WeakPolarHBondContact O-CB 3.38Å; F540-L543 PolarHBondContact O-N 2.94Å; F540-L543 VanDerWaalsContact O-N 3.1Å; F540-F544 VanDerWaalsContact O-CD2 3.27Å; F540-F544 WeakPolarHBondContact O-CD2 3.27Å; F540-L557 HydrophobicContact CD2-CD1 3.72Å; F540-L557 HydrophobicContact CD2-CD2 3.91Å; F540-L557 HydrophobicContact CE2-CD1 4.12Å; F540-L557 HydrophobicContact CE2-CD2 4.05Å; F540-F591 HydrophobicContact CD2-CB 4.29Å; F540-F591 HydrophobicContact CD2-CD1 4.5Å; F540-F591 HydrophobicContact CE2-CB 3.78Å; F540-F591 AromaticContact CE2-CD1 3.52Å; F540-F591 HydrophobicContact CE2-CD1 3.52Å; F540-F591 HydrophobicContact CE2-CD2 4.28Å; F540-F591 HydrophobicContact CE2-CE1 4.13Å; F540-F591 AromaticContact CE2-CG 3.58Å; F540-F591 HydrophobicContact CE2-CG 3.58Å; F540-F591 HydrophobicContact CZ-CB 4.12Å; F540-F591 HydrophobicContact CZ-CD1 4.05Å; F540-F591 HydrophobicContact CZ-CD2 4.03Å; F540-F591 HydrophobicContact CZ-CE1 4.47Å; F540-F591 HydrophobicContact CZ-CE2 4.5Å; F540-F591 AromaticContact CZ-CG 3.79Å; F540-F591 HydrophobicContact CZ-CG 3.79Å; F540-L593 HydrophobicContact CB-CD1 3.86Å; F540-L593 HydrophobicContact CB-CG 4.4Å
541	C	94.1	Very high	91.5	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-58.3	-41.2	174.7	-69.1	0	0	0	0	112	K537 R538 L543 F544 N545 I546 M552	K537-C541 PolarHBondContact O-N 2.9Å; K537-C541 PolarHBondContact O-SG 2.67Å; R538-C541 PolarHBondContact O-N 2.96Å; C541-L543 VanDerWaalsContact C-N 3.28Å; C541-L543 PolarHBondContact O-N 2.82Å; C541-F544 CarbonylContact O-C 3.52Å; C541-F544 PolarHBondContact O-N 3.49Å; C541-N545 PolarHBondContact O-N 3Å; C541-I546 CarbonylContact C-O 3.46Å; C541-I546 HydrophobicContact CB-CB 4.11Å; C541-I546 HydrophobicContact CB-CG2 4.39Å; C541-I546 PolarHBondContact O-N 3.43Å; C541-M552 HydrophobicContact CB-CE 3.84Å; C541-M552 HydrophobicContact CB-CG 4.1Å; C541-M552 HydrophobicContact CB-SD 4.36Å
542	N	92.6	Very high	91.1	Very high	73 Å²	73	63.6 Å²	63.6	39%	0.39	32%	0.315	S	S	.	.	H	α-helix	trans	-63.9	-30.7	177.5	-69.2	-10.8	0	0	0	112.7	R538 H539 F540 F544 N545 I546	R538-N542 PolarHBondContact O-N 3.4Å; R538-N542 PolarHBondContact O-OD1 2.92Å; H539-N542 WeakPolarHBondContact O-CB 3.31Å; H539-N542 PolarHBondContact O-N 3.25Å; F540-N542 VanDerWaalsContact C-N 3.28Å; F540-N542 PolarHBondContact O-N 3.3Å; N542-F544 PolarHBondContact O-N 2.86Å; N542-N545 PolarHBondContact O-N 2.93Å; N542-I546 PolarHBondContact OD1-O 2.89Å
543	L	93.2	Very high	90.6	Very high	48 Å²	48	66.6 Å²	66.6	25%	0.251	33%	0.328	S	S	.	.	H	α-helix	trans	-62.8	-23.4	174.3	-63.8	174.3	0	0	0	112.8	V516 I523 Y525 H539 F540 C541	V516-L543 HydrophobicContact CB-CD1 4.37Å; V516-L543 HydrophobicContact CG2-CD1 4.2Å; I523-L543 HydrophobicContact CD1-CB 4.01Å; I523-L543 WeakPolarHBondContact CD1-O 3.45Å; I523-L543 HydrophobicContact CG2-CD1 4.44Å; Y525-L543 HydrophobicContact CD2-CD1 3.67Å; Y525-L543 HydrophobicContact CD2-CD2 3.76Å; Y525-L543 HydrophobicContact CD2-CG 4.26Å; Y525-L543 HydrophobicContact CE2-CD1 4.33Å; Y525-L543 HydrophobicContact CE2-CD2 3.99Å; Y525-L543 HydrophobicContact CG-CD1 3.79Å; H539-L543 WeakPolarHBondContact O-CG 3.38Å; H539-L543 PolarHBondContact O-N 2.96Å; H539-L543 VanDerWaalsContact O-N 3.16Å; F540-L543 HydrophobicContact CD1-CD1 4.16Å; F540-L543 WeakPolarHBondContact O-CB 3.38Å; F540-L543 PolarHBondContact O-N 2.94Å; F540-L543 VanDerWaalsContact O-N 3.1Å; C541-L543 VanDerWaalsContact C-N 3.28Å; C541-L543 PolarHBondContact O-N 2.82Å
544	F	93.8	Very high	90.1	Very high	21 Å²	21	70.2 Å²	70.2	9%	0.092	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.1	20.8	178.6	-60.1	-80	0	0	0	113.3	V516 M518 K521 I523 F540 C541 N542 I546 L593	V516-F544 HydrophobicContact CB-CE2 4.48Å; V516-F544 HydrophobicContact CG1-CE2 3.84Å; V516-F544 HydrophobicContact CG1-CZ 4.45Å; M518-F544 HydrophobicContact CB-CD1 3.87Å; M518-F544 HydrophobicContact CB-CD2 3.78Å; M518-F544 HydrophobicContact CB-CE1 3.83Å; M518-F544 HydrophobicContact CB-CE2 3.75Å; M518-F544 HydrophobicContact CB-CG 3.86Å; M518-F544 HydrophobicContact CB-CZ 3.78Å; M518-F544 HydrophobicContact CE-CB 3.41Å; M518-F544 VanDerWaalsContact CE-CB 3.41Å; M518-F544 HydrophobicContact CE-CD1 4.17Å; M518-F544 HydrophobicContact CE-CG 3.83Å; M518-F544 HydrophobicContact SD-CB 3.83Å; M518-F544 HydrophobicContact SD-CD2 4.13Å; M518-F544 HydrophobicContact SD-CG 3.97Å; K521-F544 HydrophobicContact CB-CE1 4.06Å; K521-F544 HydrophobicContact CD-CD1 4.21Å; K521-F544 HydrophobicContact CD-CE1 4.14Å; K521-F544 HydrophobicContact CG-CE1 4.02Å; K521-F544 VanDerWaalsContact O-CE1 3.28Å; K521-F544 WeakPolarHBondContact O-CE1 3.37Å; K521-F544 WeakPolarHBondContact O-CZ 3.26Å; I523-F544 HydrophobicContact CD1-CD1 4.07Å; I523-F544 HydrophobicContact CD1-CE1 3.67Å; I523-F544 HydrophobicContact CD1-CZ 3.91Å; I523-F544 HydrophobicContact CG1-CE1 4.07Å; I523-F544 HydrophobicContact CG1-CZ 4.17Å; F540-F544 VanDerWaalsContact O-CD2 3.27Å; F540-F544 WeakPolarHBondContact O-CD2 3.27Å; C541-F544 CarbonylContact O-C 3.52Å; C541-F544 PolarHBondContact O-N 3.49Å; N542-F544 PolarHBondContact O-N 2.86Å; F544-I546 PolarHBondContact O-N 3.15Å; F544-L593 HydrophobicContact CD2-CD1 3.96Å; F544-L593 HydrophobicContact CE2-CD1 4.23Å
545	N	90.5	Very high	90	Very high	140 Å²	140	68.6 Å²	68.6	75%	0.749	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.3	21.2	179.6	-57	-36.1	0	0	0	114.9	C541 N542 T547	C541-N545 PolarHBondContact O-N 3Å; N542-N545 PolarHBondContact O-N 2.93Å; N545-T547 PolarHBondContact O-N 2.93Å
546	I	89	Confident	89.8	Confident	23 Å²	23	67.8 Å²	67.8	12%	0.118	33%	0.328	C	S	.	.			trans	-91.5	102.1	173.5	-57.9	-178.6	0	0	0	107.9	M518 C541 N542 F544 E551 M552 L555	M518-I546 HydrophobicContact CE-CD1 3.69Å; M518-I546 HydrophobicContact CE-CG1 4.4Å; M518-I546 HydrophobicContact SD-CD1 3.44Å; M518-I546 WeakPolarHBondContact SD-CD1 3.47Å; C541-I546 CarbonylContact C-O 3.46Å; C541-I546 HydrophobicContact CB-CB 4.11Å; C541-I546 HydrophobicContact CB-CG2 4.39Å; C541-I546 PolarHBondContact O-N 3.43Å; N542-I546 PolarHBondContact OD1-O 2.89Å; F544-I546 PolarHBondContact O-N 3.15Å; I546-E551 HydrophobicContact CG2-CB 3.89Å; I546-M552 HydrophobicContact CG2-CG 4.05Å; I546-M552 WeakPolarHBondContact O-CE 3.45Å; I546-L555 HydrophobicContact CD1-CD1 3.71Å; I546-L555 HydrophobicContact CG2-CD1 4.33Å
547	T	85.8	Confident	89.8	Confident	109 Å²	109	68 Å²	68	67%	0.669	33%	0.329	S	S	*	.			trans	-109.6	-15.8	-179	56.3	0	0	0	0	112.9	N545	N545-T547 PolarHBondContact O-N 2.93Å
548	N	86.3	Confident	89.8	Confident	69 Å²	69	67.7 Å²	67.7	37%	0.369	33%	0.328	S	S	.	.			trans	-74.8	123.1	-178.7	-176.9	-13	0	0	0	111.6	N550 E551 M552	N548-N550 VanDerWaalsContact C-N 3.25Å; N548-N550 PolarHBondContact O-N 3.13Å; N548-N550 PolarHBondContact OD1-N 2.92Å; N548-E551 HydrophobicContact CB-CB 4.17Å; N548-E551 HydrophobicContact CB-CG 4.08Å; N548-E551 PolarHBondContact ND2-OE1 3.47Å; N548-E551 PolarHBondContact O-N 2.74Å; N548-M552 WeakPolarHBondContact O-CG 3.34Å; N548-M552 PolarHBondContact O-N 2.83Å
549	Q	83.9	Confident	89.9	Confident	150 Å²	150	61 Å²	61	70%	0.701	30%	0.303	S	S	*	.	H	α-helix	trans	-60.5	-31.9	179.5	-71.5	-171.4	-1.2	0	0	113.7	K553	Q549-K553 WeakPolarHBondContact O-CG 3.46Å; Q549-K553 PolarHBondContact O-N 2.81Å
550	N	82.5	Confident	89.9	Confident	99 Å²	99	59.8 Å²	59.8	53%	0.529	30%	0.297	S	S	.	.	H	α-helix	trans	-69.1	-45.5	178	-74.7	-23.8	0	0	0	110.4	N548 M552 K553 H554	N548-N550 VanDerWaalsContact C-N 3.25Å; N548-N550 PolarHBondContact O-N 3.13Å; N548-N550 PolarHBondContact OD1-N 2.92Å; N550-M552 VanDerWaalsContact C-N 3.33Å; N550-M552 PolarHBondContact O-N 3Å; N550-K553 WeakPolarHBondContact O-CB 3.29Å; N550-K553 PolarHBondContact O-N 3.47Å; N550-K553 VanDerWaalsContact O-N 3.14Å; N550-H554 PolarHBondContact O-CD2 3.27Å
551	E	82.9	Confident	89.7	Confident	101 Å²	101	61.4 Å²	61.4	47%	0.472	31%	0.305	S	S	.	.	H	α-helix	trans	-60.6	-41	175.5	-70	167.1	-149.8	0	0	111.9	I546 N548 K553 H554	I546-E551 HydrophobicContact CG2-CB 3.89Å; N548-E551 HydrophobicContact CB-CB 4.17Å; N548-E551 HydrophobicContact CB-CG 4.08Å; N548-E551 PolarHBondContact ND2-OE1 3.47Å; N548-E551 PolarHBondContact O-N 2.74Å; E551-K553 PolarHBondContact O-N 2.86Å; E551-H554 PolarHBondContact O-N 2.87Å; E551-H554 VanDerWaalsContact O-N 3.12Å
552	M	85.7	Confident	89.2	Confident	27 Å²	27	65.5 Å²	65.5	13%	0.133	32%	0.324	C	S	.	.	H	α-helix	trans	-61.3	-26.4	177.1	-67.8	-176.8	-176.1	0	0	114	K537 R538 C541 I546 N548 N550 H554	K537-M552 WeakPolarHBondContact CE-O 3.46Å; K537-M552 PolarHBondContact NZ-O 3.12Å; R538-M552 HydrophobicContact CG-CE 4.38Å; C541-M552 HydrophobicContact CB-CE 3.84Å; C541-M552 HydrophobicContact CB-CG 4.1Å; C541-M552 HydrophobicContact CB-SD 4.36Å; I546-M552 HydrophobicContact CG2-CG 4.05Å; I546-M552 WeakPolarHBondContact O-CE 3.45Å; N548-M552 WeakPolarHBondContact O-CG 3.34Å; N548-M552 PolarHBondContact O-N 2.83Å; N550-M552 VanDerWaalsContact C-N 3.33Å; N550-M552 PolarHBondContact O-N 3Å; M552-H554 VanDerWaalsContact C-N 3.34Å
553	K	84.3	Confident	88.7	Confident	148 Å²	148	66.2 Å²	66.2	64%	0.643	33%	0.331	S	S	*	.	H	α-helix	trans	-71	-30.5	177.6	-73.2	171.9	-175.9	173.3	0	112.2	Q549 N550 E551 L555	Q549-K553 WeakPolarHBondContact O-CG 3.46Å; Q549-K553 PolarHBondContact O-N 2.81Å; N550-K553 WeakPolarHBondContact O-CB 3.29Å; N550-K553 PolarHBondContact O-N 3.47Å; N550-K553 VanDerWaalsContact O-N 3.14Å; E551-K553 PolarHBondContact O-N 2.86Å; K553-L555 VanDerWaalsContact C-N 3.28Å; K553-L555 PolarHBondContact O-N 2.88Å
554	H	86.3	Confident	88.1	Confident	79 Å²	79	68.6 Å²	68.6	37%	0.366	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	0.4	179.6	-63.6	-84.9	0	0	0	113.3	N550 E551 M552 Y596 D598	N550-H554 PolarHBondContact O-CD2 3.27Å; E551-H554 PolarHBondContact O-N 2.87Å; E551-H554 VanDerWaalsContact O-N 3.12Å; M552-H554 VanDerWaalsContact C-N 3.34Å; H554-Y596 PolarHBondContact O-N 3.23Å; H554-D598 IonicContact CE1-OD1 2.88Å; H554-D598 PolarHBondContact CE1-OD1 2.83Å; H554-D598 VanDerWaalsContact CE1-OD1 3.25Å; H554-D598 IonicContact ND1-OD1 3.57Å; H554-D598 PolarHBondContact ND1-OD1 2.88Å; H554-D598 VanDerWaalsContact ND1-OD1 3.14Å
555	L	90.7	Very high	87.5	Confident	9 Å²	9	68.8 Å²	68.8	5%	0.047	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	140.2	174.5	-66.2	170.7	0	0	0	111.2	K537 I546 K553 L593 V594 Q595	K537-L555 WeakPolarHBondContact CE-O 3.31Å; K537-L555 PolarHBondContact NZ-O 2.86Å; I546-L555 HydrophobicContact CD1-CD1 3.71Å; I546-L555 HydrophobicContact CG2-CD1 4.33Å; K553-L555 VanDerWaalsContact C-N 3.28Å; K553-L555 PolarHBondContact O-N 2.88Å; L555-L593 HydrophobicContact CB-CD2 4.5Å; L555-V594 CarbonylContact C-O 3.55Å; L555-V594 WeakPolarHBondContact CA-O 3.44Å; L555-Q595 HydrophobicContact CD2-CB 3.94Å; L555-Q595 HydrophobicContact CD2-CG 4.42Å
556	K	92.5	Very high	86.9	Confident	56 Å²	56	70.3 Å²	70.3	24%	0.243	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	148.6	166	-71.1	-175.5	163.5	-154.6	0	109.7	F558 E572 L593 V594 Y596	K556-F558 HydrophobicContact CB-CD2 4.25Å; K556-F558 HydrophobicContact CB-CE2 3.68Å; K556-F558 HydrophobicContact CB-CZ 4.5Å; K556-F558 HydrophobicContact CD-CE2 4.28Å; K556-F558 HydrophobicContact CD-CZ 4.4Å; K556-E572 VanDerWaalsContact CD-OE1 3.23Å; K556-E572 WeakPolarHBondContact CD-OE1 3.24Å; K556-E572 WeakPolarHBondContact CE-OE1 3.49Å; K556-E572 IonicContact NZ-OE1 3.14Å; K556-E572 PolarHBondContact NZ-OE1 3.1Å; K556-E572 IonicContact NZ-OE2 3.25Å; K556-E572 PolarHBondContact NZ-OE2 3.16Å; K556-L593 WeakPolarHBondContact O-CA 3.48Å; K556-V594 PolarHBondContact N-O 2.79Å; K556-V594 PolarHBondContact O-N 2.88Å; K556-Y596 HydrophobicContact CD-CD2 3.78Å; K556-Y596 HydrophobicContact CD-CE2 3.69Å; K556-Y596 HydrophobicContact CG-CD2 4.31Å
557	L	94.7	Very high	86.5	Confident	6 Å²	6	75.6 Å²	75.6	3%	0.031	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	117.9	177.3	-178.7	60.9	0	0	0	108.4	K537 F540 L573 F591 E592 L593	K537-L557 HydrophobicContact CB-CD2 3.99Å; K537-L557 HydrophobicContact CG-CB 4.46Å; K537-L557 HydrophobicContact CG-CD2 4.44Å; F540-L557 HydrophobicContact CD2-CD1 3.72Å; F540-L557 HydrophobicContact CD2-CD2 3.91Å; F540-L557 HydrophobicContact CE2-CD1 4.12Å; F540-L557 HydrophobicContact CE2-CD2 4.05Å; L557-L573 HydrophobicContact CD2-CD1 3.76Å; L557-L573 HydrophobicContact CG-CD1 3.88Å; L557-L573 HydrophobicContact CG-CG 4.43Å; L557-L573 PolarHBondContact O-N 3.35Å; L557-F591 HydrophobicContact CD1-CB 4.08Å; L557-F591 HydrophobicContact CD1-CD1 4.1Å; L557-F591 HydrophobicContact CD2-CD1 4.4Å; L557-F591 HydrophobicContact CG-CD1 4.32Å; L557-E592 WeakPolarHBondContact CA-O 3.42Å; L557-L593 HydrophobicContact CB-CD2 4.41Å; L557-L593 HydrophobicContact CD1-CD2 3.93Å; L557-L593 HydrophobicContact CD1-CG 4.32Å
558	F	94.4	Very high	86.4	Confident	43 Å²	43	78.8 Å²	78.8	19%	0.189	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	142.8	175	-71.3	-93.3	0	0	0	109.8	K556 F560 P570 E571 E572 F591 E592 V594	K556-F558 HydrophobicContact CB-CD2 4.25Å; K556-F558 HydrophobicContact CB-CE2 3.68Å; K556-F558 HydrophobicContact CB-CZ 4.5Å; K556-F558 HydrophobicContact CD-CE2 4.28Å; K556-F558 HydrophobicContact CD-CZ 4.4Å; F558-F560 HydrophobicContact CB-CD2 4.38Å; F558-F560 HydrophobicContact CB-CE2 3.79Å; F558-P570 HydrophobicContact CB-CB 4.38Å; F558-P570 HydrophobicContact CD1-CB 4.18Å; F558-P570 HydrophobicContact CD1-CG 4.42Å; F558-E571 CarbonylContact C-O 3.57Å; F558-E571 WeakPolarHBondContact CA-O 3.36Å; F558-E572 HydrophobicContact CD1-CB 3.9Å; F558-E572 HydrophobicContact CE1-CB 3.6Å; F558-E572 HydrophobicContact CE1-CG 4.08Å; F558-E572 HydrophobicContact CZ-CB 4.14Å; F558-E572 HydrophobicContact CZ-CG 4.11Å; F558-F591 CarbonylContact O-C 3.54Å; F558-F591 VanDerWaalsContact O-CA 3.29Å; F558-F591 WeakPolarHBondContact O-CA 3.28Å; F558-E592 HydrophobicContact CB-CB 4.42Å; F558-E592 PolarHBondContact N-O 3.46Å; F558-E592 PolarHBondContact O-N 3.31Å; F558-V594 HydrophobicContact CD2-CB 4.24Å; F558-V594 HydrophobicContact CD2-CG2 3.73Å; F558-V594 HydrophobicContact CE2-CB 4.12Å; F558-V594 HydrophobicContact CE2-CG2 4Å
559	Y	95.3	Very high	86.4	Confident	8 Å²	8	76.8 Å²	76.8	3%	0.031	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	132.4	174.4	172	-115	0	0	0	109.5	D561 P570 E571 I585 D589 F591	Y559-D561 HydrophobicContact CE1-CB 3.96Å; Y559-P570 WeakPolarHBondContact O-CA 3.27Å; Y559-E571 PolarHBondContact N-O 3.11Å; Y559-E571 PolarHBondContact O-N 3.08Å; Y559-I585 HydrophobicContact CE2-CG1 4.08Å; Y559-I585 HydrophobicContact CE2-CG2 4.45Å; Y559-D589 HydrophobicContact CE2-CB 3.76Å; Y559-D589 PolarHBondContact OH-OD2 3.42Å; Y559-F591 HydrophobicContact CD2-CD1 4.23Å; Y559-F591 HydrophobicContact CD2-CD2 4.33Å; Y559-F591 AromaticContact CD2-CE1 3.72Å; Y559-F591 HydrophobicContact CD2-CE1 3.72Å; Y559-F591 AromaticContact CD2-CE2 3.78Å; Y559-F591 HydrophobicContact CD2-CE2 3.78Å; Y559-F591 AromaticContact CD2-CZ 3.44Å; Y559-F591 HydrophobicContact CD2-CZ 3.44Å; Y559-F591 VanDerWaalsContact CD2-CZ 3.44Å; Y559-F591 AromaticContact CE2-CE2 3.99Å; Y559-F591 HydrophobicContact CE2-CE2 3.99Å; Y559-F591 AromaticContact CE2-CZ 3.85Å; Y559-F591 HydrophobicContact CE2-CZ 3.85Å; Y559-F591 HydrophobicContact CG-CE1 4.33Å; Y559-F591 HydrophobicContact CG-CZ 4.41Å
560	F	93.9	Very high	86.7	Confident	47 Å²	47	72.7 Å²	72.7	21%	0.206	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	103.4	179.6	-68.4	-106.6	0	0	0	108.6	F558 S565 P570 L590 E592	F558-F560 HydrophobicContact CB-CD2 4.38Å; F558-F560 HydrophobicContact CB-CE2 3.79Å; F560-S565 WeakPolarHBondContact CA-OG 3.26Å; F560-P570 HydrophobicContact CD1-CB 3.79Å; F560-P570 HydrophobicContact CD1-CG 4.44Å; F560-P570 HydrophobicContact CD2-CB 4.02Å; F560-P570 HydrophobicContact CE1-CB 3.5Å; F560-P570 HydrophobicContact CE1-CG 3.75Å; F560-P570 HydrophobicContact CE2-CB 3.72Å; F560-P570 HydrophobicContact CE2-CG 4.46Å; F560-P570 HydrophobicContact CG-CB 4.05Å; F560-P570 HydrophobicContact CZ-CB 3.46Å; F560-P570 VanDerWaalsContact CZ-CB 3.46Å; F560-P570 HydrophobicContact CZ-CG 3.76Å; F560-L590 HydrophobicContact CB-CB 3.87Å; F560-L590 HydrophobicContact CB-CD2 4.34Å; F560-L590 HydrophobicContact CB-CG 4.35Å; F560-L590 WeakPolarHBondContact CB-O 3.41Å; F560-L590 HydrophobicContact CD2-CD2 4.18Å; F560-L590 HydrophobicContact CD2-CG 4.26Å; F560-L590 HydrophobicContact CG-CD2 4.18Å; F560-L590 HydrophobicContact CG-CG 4.47Å; F560-L590 PolarHBondContact N-O 3.24Å; F560-L590 PolarHBondContact O-N 3Å; F560-E592 HydrophobicContact CD2-CB 4.34Å; F560-E592 HydrophobicContact CE2-CB 3.7Å; F560-E592 WeakPolarHBondContact CE2-OE2 3.19Å; F560-E592 VanDerWaalsContact CZ-OE2 3.27Å; F560-E592 WeakPolarHBondContact CZ-OE2 3.07Å
561	D	90.6	Very high	87.2	Confident	34 Å²	34	72.1 Å²	72.1	18%	0.182	36%	0.359	C	S	.	.			trans	-73.2	133.1	170.1	-177.4	-76.3	0	0	0	109.2	Y559 V563 M564 S565	Y559-D561 HydrophobicContact CE1-CB 3.96Å; D561-V563 PolarHBondContact O-N 2.92Å; D561-V563 VanDerWaalsContact O-N 3.1Å; D561-V563 WeakPolarHBondContact OD1-CA 3.11Å; D561-V563 PolarHBondContact OD1-N 3.26Å; D561-M564 HydrophobicContact CB-CB 3.87Å; D561-M564 PolarHBondContact OD1-N 3.47Å; D561-S565 PolarHBondContact N-OG 2.79Å; D561-S565 WeakPolarHBondContact O-CB 3.23Å; D561-S565 PolarHBondContact O-N 2.95Å; D561-S565 VanDerWaalsContact O-N 3.14Å; D561-S565 PolarHBondContact O-OG 3.16Å
562	Q	85.3	Confident	87.7	Confident	86 Å²	86	69.5 Å²	69.5	40%	0.402	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-28.3	-176.8	-81.1	170.5	87.3	0	0	114.2	T587 D589	Q562-T587 PolarHBondContact NE2-O 2.87Å; Q562-D589 VanDerWaalsContact CG-OD1 3.23Å; Q562-D589 WeakPolarHBondContact CG-OD1 3.39Å; Q562-D589 PolarHBondContact N-OD1 2.91Å; Q562-D589 VanDerWaalsContact NE2-N 3.17Å; Q562-D589 PolarHBondContact NE2-OD1 3.21Å
563	V	81.5	Confident	88.1	Confident	87 Å²	87	68.8 Å²	68.8	53%	0.527	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.6	-51.6	-177.5	-173.3	0	0	0	0	110.6	D561 S565 Q566	D561-V563 PolarHBondContact O-N 2.92Å; D561-V563 VanDerWaalsContact O-N 3.1Å; D561-V563 WeakPolarHBondContact OD1-CA 3.11Å; D561-V563 PolarHBondContact OD1-N 3.26Å; V563-S565 PolarHBondContact O-N 2.92Å; V563-Q566 PolarHBondContact O-N 2.79Å
564	M	79.9	Confident	88.4	Confident	98 Å²	98	68.1 Å²	68.1	48%	0.483	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-29	-170.8	-63.9	-62.8	135.2	0	0	113.1	D561 Q566 I567 Q568	D561-M564 HydrophobicContact CB-CB 3.87Å; D561-M564 PolarHBondContact OD1-N 3.47Å; M564-Q566 PolarHBondContact O-N 2.65Å; M564-I567 PolarHBondContact O-N 3Å; M564-I567 HydrophobicContact SD-CD1 4.43Å; M564-Q568 PolarHBondContact O-N 3.5Å
565	S	81.2	Confident	88.7	Confident	25 Å²	25	71.5 Å²	71.5	18%	0.175	35%	0.352	C	S	.	.	H	α-helix	trans	-68.7	-18.3	-179.5	-66.8	0	0	0	0	113.9	F560 D561 V563 I567 G569	F560-S565 WeakPolarHBondContact CA-OG 3.26Å; D561-S565 PolarHBondContact N-OG 2.79Å; D561-S565 WeakPolarHBondContact O-CB 3.23Å; D561-S565 PolarHBondContact O-N 2.95Å; D561-S565 VanDerWaalsContact O-N 3.14Å; D561-S565 PolarHBondContact O-OG 3.16Å; V563-S565 PolarHBondContact O-N 2.92Å; S565-I567 VanDerWaalsContact C-N 3.29Å; S565-G569 WeakPolarHBondContact CA-O 3.43Å; S565-G569 WeakPolarHBondContact O-CA 3.49Å; S565-G569 PolarHBondContact O-N 2.8Å; S565-G569 VanDerWaalsContact O-N 3.12Å; S565-G569 PolarHBondContact OG-O 3.05Å
566	Q	78.1	Confident	88.7	Confident	173 Å²	173	74.4 Å²	74.4	81%	0.808	37%	0.371	S	S	*	.	H	α-helix	trans	-74.1	-22.6	170.4	-60.2	-174.2	12.4	0	0	112.7	V563 M564	V563-Q566 PolarHBondContact O-N 2.79Å; M564-Q566 PolarHBondContact O-N 2.65Å
567	I	80.6	Confident	88.8	Confident	134 Å²	134	77.6 Å²	77.6	69%	0.687	39%	0.391	S	S	*	.	H	α-helix	trans	-98.9	-47.7	-174.8	-56.9	173.3	0	0	0	110.7	M564 S565	M564-I567 PolarHBondContact O-N 3Å; M564-I567 HydrophobicContact SD-CD1 4.43Å; S565-I567 VanDerWaalsContact C-N 3.29Å
568	Q	83.2	Confident	88.8	Confident	175 Å²	175	81.7 Å²	81.7	82%	0.818	41%	0.406	S	S	*	.	H	α-helix	trans	-108.5	-11.1	-172.4	-170.5	172.9	-7.1	0	0	113.3	M564	M564-Q568 PolarHBondContact O-N 3.5Å
569	G	86.3	Confident	88.7	Confident	28 Å²	28	81.7 Å²	81.7	29%	0.289	41%	0.408	S	S	.	.			trans	80.9	-178.4	-169.1	0	0	0	0	0	112.7	S565	S565-G569 WeakPolarHBondContact CA-O 3.43Å; S565-G569 WeakPolarHBondContact O-CA 3.49Å; S565-G569 PolarHBondContact O-N 2.8Å; S565-G569 VanDerWaalsContact O-N 3.12Å; S565-G569 PolarHBondContact OG-O 3.05Å
570	P	90.8	Very high	88.6	Confident	63 Å²	63	81.3 Å²	81.3	41%	0.409	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-71.3	144.3	178	26.5	-32.1	0	0	0	112.9	F558 Y559 F560	F558-P570 HydrophobicContact CB-CB 4.38Å; F558-P570 HydrophobicContact CD1-CB 4.18Å; F558-P570 HydrophobicContact CD1-CG 4.42Å; Y559-P570 WeakPolarHBondContact O-CA 3.27Å; F560-P570 HydrophobicContact CD1-CB 3.79Å; F560-P570 HydrophobicContact CD1-CG 4.44Å; F560-P570 HydrophobicContact CD2-CB 4.02Å; F560-P570 HydrophobicContact CE1-CB 3.5Å; F560-P570 HydrophobicContact CE1-CG 3.75Å; F560-P570 HydrophobicContact CE2-CB 3.72Å; F560-P570 HydrophobicContact CE2-CG 4.46Å; F560-P570 HydrophobicContact CG-CB 4.05Å; F560-P570 HydrophobicContact CZ-CB 3.46Å; F560-P570 VanDerWaalsContact CZ-CB 3.46Å; F560-P570 HydrophobicContact CZ-CG 3.76Å
571	E	92.5	Very high	88.4	Confident	87 Å²	87	85.2 Å²	85.2	41%	0.407	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	122.5	174.6	-171.8	178.7	174.6	0	0	110.6	F558 Y559 L573	F558-E571 CarbonylContact C-O 3.57Å; F558-E571 WeakPolarHBondContact CA-O 3.36Å; Y559-E571 PolarHBondContact N-O 3.11Å; Y559-E571 PolarHBondContact O-N 3.08Å; E571-L573 PolarHBondContact O-N 3.27Å
572	E	93.6	Very high	88.4	Confident	47 Å²	47	85.7 Å²	85.7	22%	0.22	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	122.7	170.5	-174.2	-175	169.6	0	0	110	K556 F558 K574	K556-E572 VanDerWaalsContact CD-OE1 3.23Å; K556-E572 WeakPolarHBondContact CD-OE1 3.24Å; K556-E572 WeakPolarHBondContact CE-OE1 3.49Å; K556-E572 IonicContact NZ-OE1 3.14Å; K556-E572 PolarHBondContact NZ-OE1 3.1Å; K556-E572 IonicContact NZ-OE2 3.25Å; K556-E572 PolarHBondContact NZ-OE2 3.16Å; F558-E572 HydrophobicContact CD1-CB 3.9Å; F558-E572 HydrophobicContact CE1-CB 3.6Å; F558-E572 HydrophobicContact CE1-CG 4.08Å; F558-E572 HydrophobicContact CZ-CB 4.14Å; F558-E572 HydrophobicContact CZ-CG 4.11Å; E572-K574 VanDerWaalsContact C-N 3.28Å; E572-K574 HydrophobicContact CB-CG 4.12Å; E572-K574 VanDerWaalsContact CD-CE 3.41Å; E572-K574 HydrophobicContact CG-CG 3.75Å; E572-K574 PolarHBondContact O-N 2.81Å; E572-K574 WeakPolarHBondContact OE2-CE 3.41Å; E572-K574 IonicContact OE2-NZ 3.26Å
573	L	93.6	Very high	88.6	Confident	12 Å²	12	82.3 Å²	82.3	6%	0.063	41%	0.41	C	S	.	.			trans	-79.3	72.6	-179.2	-55.6	-174.2	0	0	0	111.6	V533 L557 E571 Y575 Y583 F591	V533-L573 HydrophobicContact CG1-CB 3.73Å; V533-L573 HydrophobicContact CG1-CD1 4.48Å; V533-L573 HydrophobicContact CG2-CB 4.34Å; V533-L573 HydrophobicContact CG2-CD1 4.46Å; L557-L573 HydrophobicContact CD2-CD1 3.76Å; L557-L573 HydrophobicContact CG-CD1 3.88Å; L557-L573 HydrophobicContact CG-CG 4.43Å; L557-L573 PolarHBondContact O-N 3.35Å; E571-L573 PolarHBondContact O-N 3.27Å; L573-Y575 VanDerWaalsContact C-N 3.34Å; L573-Y575 PolarHBondContact O-N 3.35Å; L573-Y583 HydrophobicContact CD2-CD1 3.94Å; L573-Y583 HydrophobicContact CD2-CE1 3.44Å; L573-Y583 VanDerWaalsContact CD2-CE1 3.44Å; L573-Y583 HydrophobicContact CD2-CE2 4.1Å; L573-Y583 HydrophobicContact CD2-CG 4.46Å; L573-F591 HydrophobicContact CD1-CD1 4.01Å; L573-F591 HydrophobicContact CD1-CE1 3.66Å
574	K	90.9	Very high	88.9	Confident	134 Å²	134	85.9 Å²	85.9	58%	0.583	42%	0.421	S	S	*	.			trans	-73.1	-18.4	-172.4	-64.6	173.3	-173.3	175.1	0	114.9	E572 P576	E572-K574 VanDerWaalsContact C-N 3.28Å; E572-K574 HydrophobicContact CB-CG 4.12Å; E572-K574 VanDerWaalsContact CD-CE 3.41Å; E572-K574 HydrophobicContact CG-CG 3.75Å; E572-K574 PolarHBondContact O-N 2.81Å; E572-K574 WeakPolarHBondContact OE2-CE 3.41Å; E572-K574 IonicContact OE2-NZ 3.26Å; K574-P576 WeakPolarHBondContact O-CD 3.45Å
575	Y	93.3	Very high	89.4	Confident	150 Å²	150	81.6 Å²	81.6	59%	0.588	40%	0.4	S	S	*	.			trans	-103.7	94.9	-170.9	-57.9	-73.9	0	0	0	111.8	V533 L573 N577 R578	V533-Y575 WeakPolarHBondContact CB-O 3.2Å; L573-Y575 VanDerWaalsContact C-N 3.34Å; L573-Y575 PolarHBondContact O-N 3.35Å; Y575-N577 PolarHBondContact O-N 3.25Å; Y575-R578 WeakPolarHBondContact O-CB 3.37Å; Y575-R578 PolarHBondContact O-N 3.49Å; Y575-R578 VanDerWaalsContact O-N 3.11Å
576	P	91.6	Very high	89.9	Confident	70 Å²	70	86.2 Å²	86.2	46%	0.455	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-20.2	-170.9	24.3	-35.2	0	0	0	114.8	S534 K574	S534-P576 VanDerWaalsContact CB-O 3.28Å; S534-P576 WeakPolarHBondContact CB-O 3.43Å; S534-P576 PolarHBondContact N-O 3.06Å; S534-P576 PolarHBondContact OG-O 3.38Å; K574-P576 WeakPolarHBondContact O-CD 3.45Å
577	N	93.7	Very high	90.5	Very high	122 Å²	122	82.4 Å²	82.4	65%	0.652	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	-5.4	-178.3	-69	-29.8	0	0	0	113.8	Y575	Y575-N577 PolarHBondContact O-N 3.25Å
578	R	94	Very high	91.1	Very high	93 Å²	93	76.3 Å²	76.3	35%	0.351	38%	0.378	S	S	.	.	S	Bend	trans	-74.6	138	177.4	-174.4	162.5	173.1	-164.7	2.3	109.5	K532 V533 Y575 S582 Y583	K532-R578 CarbonylContact C-O 3.45Å; K532-R578 WeakPolarHBondContact CA-O 3.2Å; V533-R578 HydrophobicContact CG2-CB 4.46Å; V533-R578 WeakPolarHBondContact CG2-O 3.46Å; V533-R578 PolarHBondContact N-O 3.45Å; Y575-R578 WeakPolarHBondContact O-CB 3.37Å; Y575-R578 PolarHBondContact O-N 3.49Å; Y575-R578 VanDerWaalsContact O-N 3.11Å; R578-S582 WeakPolarHBondContact CG-OG 3.35Å; R578-S582 PolarHBondContact NE-OG 2.89Å; R578-S582 PolarHBondContact NH2-O 3.34Å; R578-Y583 WeakPolarHBondContact CD-OH 3.21Å; R578-Y583 HydrophobicContact CG-CE2 4.02Å
579	N	92.6	Very high	91.6	Very high	43 Å²	43	68 Å²	68	23%	0.23	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-78.6	145.8	177	-66.8	-30.8	0	0	0	111	K532 Y581 S582	K532-N579 WeakPolarHBondContact CG-OD1 3.45Å; N579-Y581 PolarHBondContact O-N 3.06Å; N579-Y581 PolarHBondContact ND2-OH 3.39Å; N579-Y581 WeakPolarHBondContact ND2-CE1 3.28Å; N579-Y581 VanDerWaalsContact ND2-CE1 3.27Å; N579-Y581 HydrophobicContact CB-CE2 4.46Å; N579-Y581 HydrophobicContact CB-CG 4.34Å; N579-Y581 HydrophobicContact CB-CD1 3.55Å; N579-Y581 HydrophobicContact CB-CE1 3.16Å; N579-S582 WeakPolarHBondContact O-CB 3.48Å; N579-S582 PolarHBondContact O-N 3.12Å; N579-S582 PolarHBondContact O-OG 3.48Å
580	L	92.8	Very high	92.1	Very high	0 Å²	0	68 Å²	68	0%	0	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-65.2	-33.7	-176.4	-78.9	-173.6	0	0	0	114	I527 V529 L531 V533 A536 S582 Y583 I585 F591	I527-L580 HydrophobicContact CD1-CD1 3.25Å; I527-L580 HydrophobicContact CG1-CD1 3.69Å; V529-L580 CarbonylContact O-C 3.59Å; V529-L580 WeakPolarHBondContact O-CB 3.49Å; V529-L580 PolarHBondContact O-N 2.71Å; L531-L580 HydrophobicContact CB-CD1 4.38Å; L531-L580 WeakPolarHBondContact O-CB 3.42Å; L531-L580 WeakPolarHBondContact O-CG 3.42Å; L531-L580 PolarHBondContact O-N 3.43Å; V533-L580 HydrophobicContact CG2-CD2 4.21Å; A536-L580 HydrophobicContact CB-CD1 3.63Å; A536-L580 HydrophobicContact CB-CD2 4.19Å; A536-L580 HydrophobicContact CB-CG 4.14Å; L580-S582 PolarHBondContact O-N 3.2Å; L580-Y583 HydrophobicContact CD2-CD2 4.42Å; L580-Y583 WeakPolarHBondContact O-CD2 3.28Å; L580-Y583 PolarHBondContact O-N 3.16Å; L580-I585 HydrophobicContact CB-CD1 3.68Å; L580-I585 HydrophobicContact CD1-CD1 4.22Å; L580-I585 HydrophobicContact CD2-CD1 4.05Å; L580-I585 HydrophobicContact CG-CD1 4.2Å; L580-I585 WeakPolarHBondContact O-CD1 3.47Å; L580-F591 HydrophobicContact CD2-CE1 4.37Å
581	Y	89.9	Confident	92.3	Very high	129 Å²	129	65 Å²	65	51%	0.506	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-57.6	-21.8	177.4	66	-105.4	0	0	0	113.2	V529 N579 Y583 Q584	V529-Y581 PolarHBondContact O-N 3.37Å; N579-Y581 PolarHBondContact O-N 3.06Å; N579-Y581 PolarHBondContact ND2-OH 3.39Å; N579-Y581 WeakPolarHBondContact ND2-CE1 3.28Å; N579-Y581 VanDerWaalsContact ND2-CE1 3.27Å; N579-Y581 HydrophobicContact CB-CE2 4.46Å; N579-Y581 HydrophobicContact CB-CG 4.34Å; N579-Y581 HydrophobicContact CB-CD1 3.55Å; N579-Y581 HydrophobicContact CB-CE1 3.16Å; Y581-Y583 PolarHBondContact O-N 3.14Å; Y581-Q584 PolarHBondContact O-N 3.37Å
582	S	91	Very high	92.5	Very high	43 Å²	43	63.8 Å²	63.8	30%	0.301	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-74.6	-2.9	178	72.9	0	0	0	0	114.9	R578 N579 L580	R578-S582 WeakPolarHBondContact CG-OG 3.35Å; R578-S582 PolarHBondContact NE-OG 2.89Å; R578-S582 PolarHBondContact NH2-O 3.34Å; N579-S582 WeakPolarHBondContact O-CB 3.48Å; N579-S582 PolarHBondContact O-N 3.12Å; N579-S582 PolarHBondContact O-OG 3.48Å; L580-S582 PolarHBondContact O-N 3.2Å
583	Y	89.7	Confident	92.5	Very high	15 Å²	15	61.8 Å²	61.8	6%	0.059	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-103.6	4	173.7	-60.3	-83.5	0	0	0	112.9	V533 L573 R578 L580 Y581 I585	V533-Y583 HydrophobicContact CG2-CE2 3.83Å; L573-Y583 HydrophobicContact CD2-CD1 3.94Å; L573-Y583 HydrophobicContact CD2-CE1 3.44Å; L573-Y583 VanDerWaalsContact CD2-CE1 3.44Å; L573-Y583 HydrophobicContact CD2-CE2 4.1Å; L573-Y583 HydrophobicContact CD2-CG 4.46Å; R578-Y583 WeakPolarHBondContact CD-OH 3.21Å; R578-Y583 HydrophobicContact CG-CE2 4.02Å; L580-Y583 HydrophobicContact CD2-CD2 4.42Å; L580-Y583 WeakPolarHBondContact O-CD2 3.28Å; L580-Y583 PolarHBondContact O-N 3.16Å; Y581-Y583 PolarHBondContact O-N 3.14Å; Y583-I585 PolarHBondContact O-N 2.99Å
584	Q	88	Confident	92.5	Very high	162 Å²	162	63.8 Å²	63.8	76%	0.757	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	39.2	178.7	-61	-179.5	-20.4	0	0	113.5	Y581 E586	Y581-Q584 PolarHBondContact O-N 3.37Å; Q584-E586 PolarHBondContact O-N 3.25Å
585	I	90.8	Very high	92.2	Very high	9 Å²	9	64.1 Å²	64.1	5%	0.046	31%	0.314	C	S	.	.			trans	-55.2	132.3	-176.6	-56.9	162.1	0	0	0	110.3	I512 V514 V529 Y559 L580 Y583 D589 F591	I512-I585 WeakPolarHBondContact CD1-O 3.47Å; I512-I585 HydrophobicContact CG2-CG2 4.11Å; V514-I585 HydrophobicContact CG1-CG2 3.54Å; V529-I585 HydrophobicContact CG1-CD1 4.46Å; Y559-I585 HydrophobicContact CE2-CG1 4.08Å; Y559-I585 HydrophobicContact CE2-CG2 4.45Å; L580-I585 HydrophobicContact CB-CD1 3.68Å; L580-I585 HydrophobicContact CD1-CD1 4.22Å; L580-I585 HydrophobicContact CD2-CD1 4.05Å; L580-I585 HydrophobicContact CG-CD1 4.2Å; L580-I585 WeakPolarHBondContact O-CD1 3.47Å; Y583-I585 PolarHBondContact O-N 2.99Å; I585-D589 HydrophobicContact CG2-CB 4.49Å; I585-F591 HydrophobicContact CD1-CE2 4.42Å; I585-F591 HydrophobicContact CD1-CZ 3.72Å; I585-F591 HydrophobicContact CG1-CZ 4.08Å; I585-F591 HydrophobicContact CG2-CE2 4.17Å; I585-F591 HydrophobicContact CG2-CZ 4.44Å
586	E	90.7	Very high	91.4	Very high	122 Å²	122	63 Å²	63	57%	0.57	31%	0.309	S	S	*	.			trans	-111.7	165.8	175.2	-62.2	-164	163.4	0	0	112	I512 Q584 G588 D589	I512-E586 VanDerWaalsContact CG2-C 3.42Å; I512-E586 WeakPolarHBondContact CG2-O 2.98Å; Q584-E586 PolarHBondContact O-N 3.25Å; E586-G588 PolarHBondContact O-N 3.06Å; E586-D589 WeakPolarHBondContact CA-OD2 3.27Å; E586-D589 PolarHBondContact N-OD2 3.14Å; E586-D589 PolarHBondContact O-N 3.24Å
587	T	92.1	Very high	89.9	Confident	92 Å²	92	63.6 Å²	63.6	56%	0.564	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	124.9	175.4	-67.9	0	0	0	0	109.6	R513 Q562	R513-T587 HydrophobicContact CB-CG2 4.13Å; R513-T587 CarbonylContact O-C 3.59Å; R513-T587 VanDerWaalsContact O-CA 3.27Å; R513-T587 WeakPolarHBondContact O-CA 3.41Å; Q562-T587 PolarHBondContact NE2-O 2.87Å
588	G	92.2	Very high	88	Confident	6 Å²	6	63 Å²	63	6%	0.062	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	102.6	-9.2	-179.5	0	0	0	0	0	115.2	R513 R515 E586	R513-G588 PolarHBondContact O-N 3.2Å; R515-G588 PolarHBondContact NE-O 3.4Å; R515-G588 PolarHBondContact NH2-O 3.16Å; E586-G588 PolarHBondContact O-N 3.06Å
589	D	94.4	Very high	85.9	Confident	1 Å²	1	66.6 Å²	66.6	1%	0.005	33%	0.331	C	S	.	.			trans	-63.7	156	174.5	-66.5	-18	0	0	0	111.2	R515 Y559 Q562 I585 E586	R515-D589 PolarHBondContact N-O 3.25Å; Y559-D589 HydrophobicContact CE2-CB 3.76Å; Y559-D589 PolarHBondContact OH-OD2 3.42Å; Q562-D589 VanDerWaalsContact CG-OD1 3.23Å; Q562-D589 WeakPolarHBondContact CG-OD1 3.39Å; Q562-D589 PolarHBondContact N-OD1 2.91Å; Q562-D589 VanDerWaalsContact NE2-N 3.17Å; Q562-D589 PolarHBondContact NE2-OD1 3.21Å; I585-D589 HydrophobicContact CG2-CB 4.49Å; E586-D589 WeakPolarHBondContact CA-OD2 3.27Å; E586-D589 PolarHBondContact N-OD2 3.14Å; E586-D589 PolarHBondContact O-N 3.24Å
590	L	95.2	Very high	83.2	Confident	28 Å²	28	78.9 Å²	78.9	15%	0.147	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	132	-170.7	171.2	73.9	0	0	0	111.1	R515 T517 F560	R515-L590 HydrophobicContact CB-CB 4.45Å; R515-L590 HydrophobicContact CB-CD1 3.73Å; R515-L590 CarbonylContact O-C 3.53Å; R515-L590 WeakPolarHBondContact O-CA 3.41Å; T517-L590 HydrophobicContact CG2-CD1 3.74Å; T517-L590 HydrophobicContact CG2-CD2 4.39Å; T517-L590 HydrophobicContact CG2-CG 4.36Å; F560-L590 HydrophobicContact CB-CB 3.87Å; F560-L590 HydrophobicContact CB-CD2 4.34Å; F560-L590 HydrophobicContact CB-CG 4.35Å; F560-L590 WeakPolarHBondContact CB-O 3.41Å; F560-L590 HydrophobicContact CD2-CD2 4.18Å; F560-L590 HydrophobicContact CD2-CG 4.26Å; F560-L590 HydrophobicContact CG-CD2 4.18Å; F560-L590 HydrophobicContact CG-CG 4.47Å; F560-L590 PolarHBondContact N-O 3.24Å; F560-L590 PolarHBondContact O-N 3Å
591	F	96.7	Very high	82.7	Confident	1 Å²	1	82.8 Å²	82.8	0%	0.004	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	127.9	168.8	-72.2	-95.4	0	0	0	109.1	V514 R515 V516 T517 F540 L557 F558 Y559 L573 L580 I585	V514-F591 HydrophobicContact CB-CD2 4.03Å; V514-F591 HydrophobicContact CB-CE2 4.09Å; V514-F591 HydrophobicContact CG1-CD2 4.39Å; V514-F591 HydrophobicContact CG1-CE2 3.93Å; V514-F591 HydrophobicContact CG2-CD2 4Å; V514-F591 HydrophobicContact CG2-CE2 4.2Å; R515-F591 PolarHBondContact O-N 3.01Å; V516-F591 CarbonylContact C-O 3.48Å; V516-F591 VanDerWaalsContact CA-O 3.26Å; V516-F591 WeakPolarHBondContact CA-O 3.46Å; V516-F591 HydrophobicContact CG1-CB 4.4Å; T517-F591 PolarHBondContact N-O 3.05Å; F540-F591 HydrophobicContact CD2-CB 4.29Å; F540-F591 HydrophobicContact CD2-CD1 4.5Å; F540-F591 HydrophobicContact CE2-CB 3.78Å; F540-F591 AromaticContact CE2-CD1 3.52Å; F540-F591 HydrophobicContact CE2-CD1 3.52Å; F540-F591 HydrophobicContact CE2-CD2 4.28Å; F540-F591 HydrophobicContact CE2-CE1 4.13Å; F540-F591 AromaticContact CE2-CG 3.58Å; F540-F591 HydrophobicContact CE2-CG 3.58Å; F540-F591 HydrophobicContact CZ-CB 4.12Å; F540-F591 HydrophobicContact CZ-CD1 4.05Å; F540-F591 HydrophobicContact CZ-CD2 4.03Å; F540-F591 HydrophobicContact CZ-CE1 4.47Å; F540-F591 HydrophobicContact CZ-CE2 4.5Å; F540-F591 AromaticContact CZ-CG 3.79Å; F540-F591 HydrophobicContact CZ-CG 3.79Å; L557-F591 HydrophobicContact CD1-CB 4.08Å; L557-F591 HydrophobicContact CD1-CD1 4.1Å; L557-F591 HydrophobicContact CD2-CD1 4.4Å; L557-F591 HydrophobicContact CG-CD1 4.32Å; F558-F591 CarbonylContact O-C 3.54Å; F558-F591 VanDerWaalsContact O-CA 3.29Å; F558-F591 WeakPolarHBondContact O-CA 3.28Å; Y559-F591 HydrophobicContact CD2-CD1 4.23Å; Y559-F591 HydrophobicContact CD2-CD2 4.33Å; Y559-F591 AromaticContact CD2-CE1 3.72Å; Y559-F591 HydrophobicContact CD2-CE1 3.72Å; Y559-F591 AromaticContact CD2-CE2 3.78Å; Y559-F591 HydrophobicContact CD2-CE2 3.78Å; Y559-F591 AromaticContact CD2-CZ 3.44Å; Y559-F591 HydrophobicContact CD2-CZ 3.44Å; Y559-F591 VanDerWaalsContact CD2-CZ 3.44Å; Y559-F591 AromaticContact CE2-CE2 3.99Å; Y559-F591 HydrophobicContact CE2-CE2 3.99Å; Y559-F591 AromaticContact CE2-CZ 3.85Å; Y559-F591 HydrophobicContact CE2-CZ 3.85Å; Y559-F591 HydrophobicContact CG-CE1 4.33Å; Y559-F591 HydrophobicContact CG-CZ 4.41Å; L573-F591 HydrophobicContact CD1-CD1 4.01Å; L573-F591 HydrophobicContact CD1-CE1 3.66Å; L580-F591 HydrophobicContact CD2-CE1 4.37Å; I585-F591 HydrophobicContact CD1-CE2 4.42Å; I585-F591 HydrophobicContact CD1-CZ 3.72Å; I585-F591 HydrophobicContact CG1-CZ 4.08Å; I585-F591 HydrophobicContact CG2-CE2 4.17Å; I585-F591 HydrophobicContact CG2-CZ 4.44Å
592	E	95.5	Very high	82.3	Confident	61 Å²	61	80.4 Å²	80.4	29%	0.285	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	127.2	-179.7	-175.7	168.4	-150.5	0	0	111.3	T517 L557 F558 F560 V594	T517-E592 HydrophobicContact CG2-CB 3.71Å; T517-E592 HydrophobicContact CG2-CG 3.59Å; T517-E592 WeakPolarHBondContact O-CA 3.42Å; L557-E592 WeakPolarHBondContact CA-O 3.42Å; F558-E592 HydrophobicContact CB-CB 4.42Å; F558-E592 PolarHBondContact N-O 3.46Å; F558-E592 PolarHBondContact O-N 3.31Å; F560-E592 HydrophobicContact CD2-CB 4.34Å; F560-E592 HydrophobicContact CE2-CB 3.7Å; F560-E592 WeakPolarHBondContact CE2-OE2 3.19Å; F560-E592 VanDerWaalsContact CZ-OE2 3.27Å; F560-E592 WeakPolarHBondContact CZ-OE2 3.07Å; E592-V594 HydrophobicContact CG-CG2 3.71Å
593	L	95	Very high	81.9	Confident	4 Å²	4	82.4 Å²	82.4	2%	0.021	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	114.4	170.5	-72.5	169.9	0	0	0	109.3	T517 M518 K537 F540 F544 L555 K556 L557	T517-L593 PolarHBondContact O-N 2.94Å; M518-L593 HydrophobicContact CB-CB 4.09Å; M518-L593 HydrophobicContact CG-CB 3.84Å; M518-L593 HydrophobicContact SD-CB 4.22Å; M518-L593 HydrophobicContact SD-CD1 4.25Å; K537-L593 HydrophobicContact CG-CD2 4.35Å; F540-L593 HydrophobicContact CB-CD1 3.86Å; F540-L593 HydrophobicContact CB-CG 4.4Å; F544-L593 HydrophobicContact CD2-CD1 3.96Å; F544-L593 HydrophobicContact CE2-CD1 4.23Å; L555-L593 HydrophobicContact CB-CD2 4.5Å; K556-L593 WeakPolarHBondContact O-CA 3.48Å; L557-L593 HydrophobicContact CB-CD2 4.41Å; L557-L593 HydrophobicContact CD1-CD2 3.93Å; L557-L593 HydrophobicContact CD1-CG 4.32Å
594	V	92.5	Very high	81.4	Confident	55 Å²	55	86.4 Å²	86.4	33%	0.333	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	127.7	-178.7	-174.6	0	0	0	0	110.1	L555 K556 F558 E592	L555-V594 CarbonylContact C-O 3.55Å; L555-V594 WeakPolarHBondContact CA-O 3.44Å; K556-V594 PolarHBondContact N-O 2.79Å; K556-V594 PolarHBondContact O-N 2.88Å; F558-V594 HydrophobicContact CD2-CB 4.24Å; F558-V594 HydrophobicContact CD2-CG2 3.73Å; F558-V594 HydrophobicContact CE2-CB 4.12Å; F558-V594 HydrophobicContact CE2-CG2 4Å; E592-V594 HydrophobicContact CG-CG2 3.71Å
595	Q	85.6	Confident	81	Confident	141 Å²	141	81.7 Å²	81.7	66%	0.659	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.8	133.8	176.5	-168.9	172.6	4.1	0	0	111.3	L555	L555-Q595 HydrophobicContact CD2-CB 3.94Å; L555-Q595 HydrophobicContact CD2-CG 4.42Å
596	Y	75.1	Confident	80.3	Confident	125 Å²	125	86.5 Å²	86.5	49%	0.49	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-74.7	135.2	171.6	-129	-101.9	0	0	0	110.2	H554 K556 D598	H554-Y596 PolarHBondContact O-N 3.23Å; K556-Y596 HydrophobicContact CD-CD2 3.78Å; K556-Y596 HydrophobicContact CD-CE2 3.69Å; K556-Y596 HydrophobicContact CG-CD2 4.31Å; Y596-D598 PolarHBondContact O-N 3.26Å
597	P	61.4	Low	79.6	Confident	84 Å²	84	84 Å²	84	55%	0.545	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-66.1	126.1	163.9	25.6	-28.6	0	0	0	108.7	H599	P597-H599 PolarHBondContact O-N 3.21Å
598	D	53.5	Low	78.6	Confident	110 Å²	110	83.4 Å²	83.4	59%	0.588	39%	0.388	S	S	*	.			trans	-65.3	101.1	174	-85.1	-28	0	0	0	109.2	H554 Y596 R600	H554-D598 IonicContact CE1-OD1 2.88Å; H554-D598 PolarHBondContact CE1-OD1 2.83Å; H554-D598 VanDerWaalsContact CE1-OD1 3.25Å; H554-D598 IonicContact ND1-OD1 3.57Å; H554-D598 PolarHBondContact ND1-OD1 2.88Å; H554-D598 VanDerWaalsContact ND1-OD1 3.14Å; Y596-D598 PolarHBondContact O-N 3.26Å; D598-R600 VanDerWaalsContact C-N 3.34Å; D598-R600 PolarHBondContact O-N 3.18Å
599	H	48.6	Very low	77.5	Confident	167 Å²	167	89.8 Å²	89.8	77%	0.773	42%	0.416	S	S	*	.			trans	-81.3	87.2	160.6	-67.3	-57.4	0	0	0	107.9	P597	P597-H599 PolarHBondContact O-N 3.21Å
600	R	36.5	Very low	75.9	Confident	301 Å²	301	97.9 Å²	97.9	100%	1.136	45%	0.453	S	S	*	.			trans	-88.9	0	159.6	-86.9	-170.1	178.8	-171.9	1.3	110.7	D598	D598-R600 VanDerWaalsContact C-N 3.34Å; D598-R600 PolarHBondContact O-N 3.18Å

Retrieved 600 of 600 residues in 266.1 ms (Link to these results)

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