A0A087YK54_POEFO Loading...

Kelch repeat and BTB (POZ) domain containing 12

AlphaFold DB , UniProt , Accession A0A087YK54, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 620 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	56.7	Low	82.6	Confident	216 Å²	216	109.2 Å²	109.2	100%	1.064	59%	0.585	S	S	*	*				0	134	0	-87	-176.2	-120.3	0	0	108.1
2	D	80.8	Confident	83.1	Confident	100 Å²	100	104.7 Å²	104.7	54%	0.535	56%	0.56	S	S	.	*			trans	-69.9	148.6	-176.6	-170.6	4.7	0	0	0	110.7	T4 S5 K6	D2-T4 PolarHBondContact O-N 3Å; D2-T4 PolarHBondContact OD2-OG1 3.29Å; D2-S5 WeakPolarHBondContact CB-OG 3.3Å; D2-S5 PolarHBondContact N-OG 3.04Å; D2-S5 PolarHBondContact O-N 3.14Å; D2-S5 VanDerWaalsContact O-N 3.13Å; D2-S5 PolarHBondContact O-OG 3.3Å; D2-K6 PolarHBondContact O-N 2.9Å
3	L	80.3	Confident	83.7	Confident	151 Å²	151	101.2 Å²	101.2	79%	0.791	54%	0.539	S	S	*	.	H	α-helix	trans	-60.2	-33.5	-177.3	-86.4	144.9	0	0	0	111.6	K6 H7	L3-K6 PolarHBondContact O-N 3.18Å; L3-H7 PolarHBondContact O-N 2.72Å; L3-H7 VanDerWaalsContact O-N 3.11Å
4	T	81.1	Confident	84.3	Confident	96 Å²	96	100.2 Å²	100.2	59%	0.589	53%	0.529	S	S	*	.	H	α-helix	trans	-63.9	-42.4	174.8	51.8	0	0	0	0	112.5	D2 H7 G8	D2-T4 PolarHBondContact O-N 3Å; D2-T4 PolarHBondContact OD2-OG1 3.29Å; T4-H7 PolarHBondContact O-N 3.11Å; T4-G8 PolarHBondContact O-N 3.35Å
5	S	80.7	Confident	84.8	Confident	54 Å²	54	95.9 Å²	95.9	38%	0.378	51%	0.506	S	S	.	.	H	α-helix	trans	-67.9	-37.8	178	13.1	0	0	0	0	111.2	D2 H7 G8 L9	D2-S5 WeakPolarHBondContact CB-OG 3.3Å; D2-S5 PolarHBondContact N-OG 3.04Å; D2-S5 PolarHBondContact O-N 3.14Å; D2-S5 VanDerWaalsContact O-N 3.13Å; D2-S5 PolarHBondContact O-OG 3.3Å; S5-H7 PolarHBondContact O-N 3Å; S5-G8 PolarHBondContact O-N 3.48Å; S5-L9 WeakPolarHBondContact O-CG 3.45Å; S5-L9 PolarHBondContact O-N 3.41Å
6	K	85.7	Confident	85.2	Confident	140 Å²	140	94.6 Å²	94.6	61%	0.609	49%	0.492	S	S	*	.	H	α-helix	trans	-64.2	-39.6	174.9	-166.7	178.6	-179.1	-179.2	0	112.2	D2 L3 L9 V10	D2-K6 PolarHBondContact O-N 2.9Å; L3-K6 PolarHBondContact O-N 3.18Å; K6-L9 PolarHBondContact O-N 3.18Å; K6-V10 WeakPolarHBondContact O-CG2 3.48Å; K6-V10 PolarHBondContact O-N 3.19Å; K6-V10 VanDerWaalsContact O-N 3.11Å
7	H	89.8	Confident	85.6	Confident	138 Å²	138	94.6 Å²	94.6	64%	0.639	49%	0.488	S	S	*	.	H	α-helix	trans	-61.7	-45	177.8	-178	-87.6	0	0	0	112.2	L3 T4 S5 L9 V10 L11	L3-H7 PolarHBondContact O-N 2.72Å; L3-H7 VanDerWaalsContact O-N 3.11Å; T4-H7 PolarHBondContact O-N 3.11Å; S5-H7 PolarHBondContact O-N 3Å; H7-L9 PolarHBondContact O-N 3.26Å; H7-V10 PolarHBondContact O-N 3.29Å; H7-L11 PolarHBondContact O-N 2.97Å; H7-L11 VanDerWaalsContact O-N 3.09Å
8	G	86.9	Confident	86.1	Confident	32 Å²	32	93.1 Å²	93.1	33%	0.33	48%	0.479	S	S	.	.	H	α-helix	trans	-60.9	-42.5	177	0	0	0	0	0	113.3	T4 S5 L11 L12	T4-G8 PolarHBondContact O-N 3.35Å; S5-G8 PolarHBondContact O-N 3.48Å; G8-L11 PolarHBondContact O-N 2.79Å; G8-L12 PolarHBondContact O-N 3.29Å; G8-L12 VanDerWaalsContact O-N 3.12Å
9	L	86.4	Confident	86.4	Confident	101 Å²	101	90.6 Å²	90.6	53%	0.529	46%	0.463	S	S	.	.	H	α-helix	trans	-63.1	-42.5	177	-70.2	171	0	0	0	112.4	S5 K6 H7 L11 L12 E13	S5-L9 WeakPolarHBondContact O-CG 3.45Å; S5-L9 PolarHBondContact O-N 3.41Å; K6-L9 PolarHBondContact O-N 3.18Å; H7-L9 PolarHBondContact O-N 3.26Å; L9-L11 VanDerWaalsContact C-N 3.34Å; L9-L11 PolarHBondContact O-N 3.44Å; L9-L12 PolarHBondContact O-N 3.24Å; L9-E13 WeakPolarHBondContact O-CB 3.39Å; L9-E13 PolarHBondContact O-N 3.49Å
10	V	90.3	Very high	86.6	Confident	78 Å²	78	92.7 Å²	92.7	47%	0.473	47%	0.471	S	S	.	.	H	α-helix	trans	-64	-40.3	177.7	173	0	0	0	0	111.1	K6 H7 E13 Q14	K6-V10 WeakPolarHBondContact O-CG2 3.48Å; K6-V10 PolarHBondContact O-N 3.19Å; K6-V10 VanDerWaalsContact O-N 3.11Å; H7-V10 PolarHBondContact O-N 3.29Å; V10-E13 PolarHBondContact O-N 3.24Å; V10-Q14 WeakPolarHBondContact O-CG 3.42Å; V10-Q14 PolarHBondContact O-N 3.03Å; V10-Q14 VanDerWaalsContact O-N 3.08Å
11	L	90.1	Very high	86.9	Confident	95 Å²	95	92.6 Å²	92.6	50%	0.497	48%	0.475	S	S	.	.	H	α-helix	trans	-61.6	-49.9	177.4	177.6	63.3	0	0	0	111.9	H7 G8 L9 E13 Q14 L15	H7-L11 PolarHBondContact O-N 2.97Å; H7-L11 VanDerWaalsContact O-N 3.09Å; G8-L11 PolarHBondContact O-N 2.79Å; L9-L11 VanDerWaalsContact C-N 3.34Å; L9-L11 PolarHBondContact O-N 3.44Å; L11-E13 VanDerWaalsContact C-N 3.31Å; L11-E13 PolarHBondContact O-N 2.88Å; L11-Q14 PolarHBondContact O-N 3.18Å; L11-L15 HydrophobicContact CD1-CD1 4.19Å; L11-L15 HydrophobicContact CD1-CG 4.41Å; L11-L15 HydrophobicContact CG-CD1 4.11Å; L11-L15 WeakPolarHBondContact O-CG 3.2Å; L11-L15 PolarHBondContact O-N 3.32Å
12	L	88.9	Confident	88.6	Confident	55 Å²	55	88.4 Å²	88.4	29%	0.288	45%	0.452	S	S	.	.	H	α-helix	trans	-59.8	-42.1	178	-82	163.8	0	0	0	111.8	G8 L9 Q14 L15 R16	G8-L12 PolarHBondContact O-N 3.29Å; G8-L12 VanDerWaalsContact O-N 3.12Å; L9-L12 PolarHBondContact O-N 3.24Å; L12-Q14 VanDerWaalsContact C-N 3.35Å; L12-Q14 PolarHBondContact O-N 3.46Å; L12-L15 PolarHBondContact O-N 3.05Å; L12-R16 PolarHBondContact O-N 2.95Å
13	E	90.3	Very high	89.1	Confident	60 Å²	60	89.2 Å²	89.2	28%	0.28	45%	0.452	S	S	.	.	H	α-helix	trans	-59.8	-41.7	176.5	179	61.8	-154	0	0	112.4	L9 V10 L11 R16 K17	L9-E13 WeakPolarHBondContact O-CB 3.39Å; L9-E13 PolarHBondContact O-N 3.49Å; V10-E13 PolarHBondContact O-N 3.24Å; L11-E13 VanDerWaalsContact C-N 3.31Å; L11-E13 PolarHBondContact O-N 2.88Å; E13-R16 IonicContact OE1-CZ 2.73Å; E13-R16 IonicContact OE1-NH2 2.83Å; E13-R16 PolarHBondContact OE1-NH2 3.26Å; E13-R16 IonicContact OE2-CZ 2.75Å; E13-R16 IonicContact OE2-NE 3.72Å; E13-R16 IonicContact OE2-NH1 3.1Å; E13-R16 IonicContact OE2-NH2 3.88Å; E13-R16 PolarHBondContact OE2-NH2 3.06Å; E13-K17 WeakPolarHBondContact O-CG 2.93Å; E13-K17 PolarHBondContact O-N 3.32Å; E13-K17 VanDerWaalsContact O-N 3.17Å; E13-K17 WeakPolarHBondContact OE1-CE 3.44Å; E13-K17 IonicContact OE1-NZ 3.57Å
14	Q	92.3	Very high	89.5	Confident	87 Å²	87	88.6 Å²	88.6	41%	0.407	45%	0.449	S	S	.	.	H	α-helix	trans	-68.5	-41.5	176.2	-64.2	-50.4	-49.8	0	0	111.9	V10 L11 L12 R16 K17 M18	V10-Q14 WeakPolarHBondContact O-CG 3.42Å; V10-Q14 PolarHBondContact O-N 3.03Å; V10-Q14 VanDerWaalsContact O-N 3.08Å; L11-Q14 PolarHBondContact O-N 3.18Å; L12-Q14 VanDerWaalsContact C-N 3.35Å; L12-Q14 PolarHBondContact O-N 3.46Å; Q14-R16 VanDerWaalsContact C-N 3.3Å; Q14-R16 PolarHBondContact O-N 3.19Å; Q14-K17 PolarHBondContact O-N 3.48Å; Q14-M18 WeakPolarHBondContact O-CG 3.4Å; Q14-M18 PolarHBondContact O-N 3.07Å
15	L	91.7	Very high	90.1	Very high	36 Å²	36	84.8 Å²	84.8	19%	0.188	43%	0.426	C	S	.	.	H	α-helix	trans	-65	-34.2	178	-69.1	173	0	0	0	112.3	L11 L12 M18 R19 I42 Y84	L11-L15 HydrophobicContact CD1-CD1 4.19Å; L11-L15 HydrophobicContact CD1-CG 4.41Å; L11-L15 HydrophobicContact CG-CD1 4.11Å; L11-L15 WeakPolarHBondContact O-CG 3.2Å; L11-L15 PolarHBondContact O-N 3.32Å; L12-L15 PolarHBondContact O-N 3.05Å; L15-M18 HydrophobicContact CD2-SD 4.35Å; L15-R19 PolarHBondContact O-N 3.04Å; L15-I42 HydrophobicContact CD1-CD1 3.87Å; L15-I42 HydrophobicContact CD1-CG1 4.45Å; L15-Y84 HydrophobicContact CB-CD1 4.38Å; L15-Y84 HydrophobicContact CB-CE1 4.33Å
16	R	91.5	Very high	90.6	Very high	74 Å²	74	85.8 Å²	85.8	28%	0.279	43%	0.427	S	S	.	.	H	α-helix	trans	-62.3	-51.6	171.5	-175.3	-175.5	75.3	-166	-5.6	111.4	L12 E13 Q14 M18 R19 E20 Y84	L12-R16 PolarHBondContact O-N 2.95Å; E13-R16 IonicContact OE1-CZ 2.73Å; E13-R16 IonicContact OE1-NH2 2.83Å; E13-R16 PolarHBondContact OE1-NH2 3.26Å; E13-R16 IonicContact OE2-CZ 2.75Å; E13-R16 IonicContact OE2-NE 3.72Å; E13-R16 IonicContact OE2-NH1 3.1Å; E13-R16 IonicContact OE2-NH2 3.88Å; E13-R16 PolarHBondContact OE2-NH2 3.06Å; Q14-R16 VanDerWaalsContact C-N 3.3Å; Q14-R16 PolarHBondContact O-N 3.19Å; R16-M18 VanDerWaalsContact C-N 3.28Å; R16-M18 PolarHBondContact O-N 3.35Å; R16-R19 WeakPolarHBondContact O-CA 3.34Å; R16-R19 WeakPolarHBondContact O-CB 3.37Å; R16-R19 PolarHBondContact O-N 2.9Å; R16-E20 IonicContact NE-OE1 2.72Å; R16-E20 PolarHBondContact O-N 2.87Å; R16-Y84 HydrophobicContact CB-CD1 4.5Å
17	K	92.6	Very high	91	Very high	96 Å²	96	79.2 Å²	79.2	42%	0.417	40%	0.398	S	S	.	.	H	α-helix	trans	-56.7	-43.7	177.7	-73.5	177.2	180	171.9	0	111.5	E13 Q14 R19 E20 V21	E13-K17 WeakPolarHBondContact O-CG 2.93Å; E13-K17 PolarHBondContact O-N 3.32Å; E13-K17 VanDerWaalsContact O-N 3.17Å; E13-K17 WeakPolarHBondContact OE1-CE 3.44Å; E13-K17 IonicContact OE1-NZ 3.57Å; Q14-K17 PolarHBondContact O-N 3.48Å; K17-R19 VanDerWaalsContact C-N 3.29Å; K17-R19 PolarHBondContact O-N 3.05Å; K17-E20 PolarHBondContact O-N 3.09Å; K17-V21 VanDerWaalsContact O-CG2 3.31Å; K17-V21 WeakPolarHBondContact O-CG2 3.47Å; K17-V21 PolarHBondContact O-N 3.05Å
18	M	93.2	Very high	91.2	Very high	67 Å²	67	73.5 Å²	73.5	33%	0.33	37%	0.374	S	S	.	.	H	α-helix	trans	-59.6	-39.4	176.1	-71.3	176.8	-173.4	0	0	112.2	Q14 L15 R16 E22 H23 L24	Q14-M18 WeakPolarHBondContact O-CG 3.4Å; Q14-M18 PolarHBondContact O-N 3.07Å; L15-M18 HydrophobicContact CD2-SD 4.35Å; R16-M18 VanDerWaalsContact C-N 3.28Å; R16-M18 PolarHBondContact O-N 3.35Å; M18-E22 PolarHBondContact O-N 3.43Å; M18-E22 VanDerWaalsContact O-N 3.12Å; M18-H23 HydrophobicContact CB-CB 4.4Å; M18-H23 PolarHBondContact O-N 3.35Å; M18-L24 HydrophobicContact SD-CD1 4.34Å
19	R	93.1	Very high	91.5	Very high	45 Å²	45	72 Å²	72	17%	0.17	36%	0.358	C	S	.	.	H	α-helix	trans	-64.4	-43.9	174.8	-178	178.9	172.7	-142.4	-8.7	112.4	L15 R16 K17 V21 E22 P37 L80 Y84	L15-R19 PolarHBondContact O-N 3.04Å; R16-R19 WeakPolarHBondContact O-CA 3.34Å; R16-R19 WeakPolarHBondContact O-CB 3.37Å; R16-R19 PolarHBondContact O-N 2.9Å; K17-R19 VanDerWaalsContact C-N 3.29Å; K17-R19 PolarHBondContact O-N 3.05Å; R19-V21 VanDerWaalsContact C-N 3.27Å; R19-V21 PolarHBondContact O-N 3.34Å; R19-E22 PolarHBondContact O-N 3.08Å; R19-P37 WeakPolarHBondContact CG-O 3.42Å; R19-P37 PolarHBondContact NE-O 3.37Å; R19-P37 VanDerWaalsContact NE-O 3.16Å; R19-L80 PolarHBondContact NH1-O 3.32Å; R19-Y84 HydrophobicContact CB-CE1 4.35Å
20	E	90.4	Very high	91.9	Very high	133 Å²	133	67.8 Å²	67.8	62%	0.621	34%	0.336	S	S	*	.	H	α-helix	trans	-61.5	-34.4	-179.6	-70.8	168.4	-175.2	0	0	112.8	R16 K17	R16-E20 IonicContact NE-OE1 2.72Å; R16-E20 PolarHBondContact O-N 2.87Å; K17-E20 PolarHBondContact O-N 3.09Å
21	V	93.2	Very high	92	Very high	91 Å²	91	64 Å²	64	55%	0.552	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	10.6	175.3	-62.1	0	0	0	0	113.4	K17 R19 H23	K17-V21 VanDerWaalsContact O-CG2 3.31Å; K17-V21 WeakPolarHBondContact O-CG2 3.47Å; K17-V21 PolarHBondContact O-N 3.05Å; R19-V21 VanDerWaalsContact C-N 3.27Å; R19-V21 PolarHBondContact O-N 3.34Å; V21-H23 HydrophobicContact CG2-CB 3.99Å; V21-H23 WeakPolarHBondContact CG2-ND1 3.48Å; V21-H23 PolarHBondContact O-N 3.48Å; V21-H23 VanDerWaalsContact O-N 3.12Å; V21-H23 PolarHBondContact O-ND1 3.21Å
22	E	91.3	Very high	92.1	Very high	128 Å²	128	66.3 Å²	66.3	60%	0.598	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	29.5	-178.5	-56.6	-176	179.1	0	0	114.8	M18 R19 P37	M18-E22 PolarHBondContact O-N 3.43Å; M18-E22 VanDerWaalsContact O-N 3.12Å; R19-E22 PolarHBondContact O-N 3.08Å; E22-P37 HydrophobicContact CG-CB 4.23Å; E22-P37 HydrophobicContact CG-CG 4.12Å
23	H	90.8	Very high	92.1	Very high	116 Å²	116	66.9 Å²	66.9	54%	0.537	34%	0.34	S	S	.	.			trans	-84.2	131.6	176.4	-78.5	59.5	0	0	0	110.6	M18 V21 T25 H39	M18-H23 HydrophobicContact CB-CB 4.4Å; M18-H23 PolarHBondContact O-N 3.35Å; V21-H23 HydrophobicContact CG2-CB 3.99Å; V21-H23 WeakPolarHBondContact CG2-ND1 3.48Å; V21-H23 PolarHBondContact O-N 3.48Å; V21-H23 VanDerWaalsContact O-N 3.12Å; V21-H23 PolarHBondContact O-ND1 3.21Å; H23-T25 PolarHBondContact O-N 3.46Å; H23-T25 VanDerWaalsContact O-N 3.09Å; H23-H39 PolarHBondContact O-NE2 2.97Å
24	L	90.3	Very high	92.3	Very high	139 Å²	139	68 Å²	68	73%	0.728	35%	0.347	S	S	*	.	S	Bend	trans	59.8	15.2	176.5	-54.3	174.3	0	0	0	115	M18 D26 H39	M18-L24 HydrophobicContact SD-CD1 4.34Å; L24-D26 PolarHBondContact O-N 3.17Å; L24-H39 PolarHBondContact O-CD2 3.09Å; L24-H39 VanDerWaalsContact O-CD2 3.3Å
25	T	91.9	Very high	92.4	Very high	15 Å²	15	67.2 Å²	67.2	9%	0.092	35%	0.352	C	S	.	.			trans	-69.9	119.7	170.7	57.1	0	0	0	0	109.9	H23 P37 C38	H23-T25 PolarHBondContact O-N 3.46Å; H23-T25 VanDerWaalsContact O-N 3.09Å; T25-P37 HydrophobicContact CG2-CB 4.01Å; T25-C38 WeakPolarHBondContact CA-O 3.19Å; T25-C38 WeakPolarHBondContact CB-O 3.26Å
26	D	92.2	Very high	92.6	Very high	76 Å²	76	66.7 Å²	66.7	41%	0.406	35%	0.348	S	S	.	.			trans	-106.3	2.4	-172.9	59.9	-11.3	0	0	0	113.1	L24 C38 H39 R40	L24-D26 PolarHBondContact O-N 3.17Å; D26-C38 PolarHBondContact N-O 2.84Å; D26-H39 VanDerWaalsContact OD1-CA 3.25Å; D26-H39 WeakPolarHBondContact OD1-CA 3.45Å; D26-R40 PolarHBondContact O-NE 3.01Å; D26-R40 WeakPolarHBondContact OD1-CG 3.33Å; D26-R40 PolarHBondContact OD1-N 3.01Å; D26-R40 WeakPolarHBondContact OD2-CB 3.44Å
27	V	93.3	Very high	92.8	Very high	1 Å²	1	64.4 Å²	64.4	1%	0.006	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	150.3	174.8	65.5	0	0	0	0	111.7	L29 C38 R40 L43 F54 R64 I66	V27-L29 HydrophobicContact CG2-CD2 4.42Å; V27-C38 HydrophobicContact CG1-CB 4.11Å; V27-C38 PolarHBondContact N-O 3.36Å; V27-C38 PolarHBondContact O-N 3.1Å; V27-R40 HydrophobicContact CB-CG 3.71Å; V27-R40 HydrophobicContact CG1-CG 3.59Å; V27-L43 HydrophobicContact CG1-CD1 3.7Å; V27-F54 HydrophobicContact CG2-CE1 4.41Å; V27-F54 HydrophobicContact CG2-CZ 4.2Å; V27-R64 CarbonylContact C-O 3.07Å; V27-R64 WeakPolarHBondContact CA-O 3.48Å; V27-I66 HydrophobicContact CG2-CD1 3.48Å; V27-I66 VanDerWaalsContact CG2-CD1 3.48Å; V27-I66 HydrophobicContact CG2-CG1 4.06Å
28	V	94.3	Very high	92.9	Very high	19 Å²	19	59.9 Å²	59.9	12%	0.115	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	118.9	172.9	-178	0	0	0	0	108.3	V30 F36 R64 E65 I66	V28-V30 HydrophobicContact CG1-CG2 4.34Å; V28-F36 WeakPolarHBondContact CA-O 3.38Å; V28-R64 PolarHBondContact N-O 3.17Å; V28-E65 HydrophobicContact CB-CG 4.22Å; V28-E65 WeakPolarHBondContact O-CA 3.47Å; V28-I66 PolarHBondContact O-N 2.83Å
29	L	94.1	Very high	92.9	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	135.4	171.8	-56.8	-179.5	0	0	0	108.9	V27 S35 F36 L43 F50 I66 L68 L76 L80	V27-L29 HydrophobicContact CG2-CD2 4.42Å; L29-S35 CarbonylContact O-C 3.53Å; L29-S35 WeakPolarHBondContact O-CA 3.35Å; L29-F36 HydrophobicContact CB-CB 4.39Å; L29-F36 PolarHBondContact N-O 3.48Å; L29-F36 PolarHBondContact O-N 3.12Å; L29-L43 HydrophobicContact CD1-CD1 4.07Å; L29-L43 HydrophobicContact CD1-CD2 4.12Å; L29-L43 HydrophobicContact CD2-CD1 4.36Å; L29-L43 HydrophobicContact CG-CD1 4.34Å; L29-F50 HydrophobicContact CD1-CE1 4.31Å; L29-F50 HydrophobicContact CD1-CE2 4.33Å; L29-F50 HydrophobicContact CD1-CZ 3.76Å; L29-F50 HydrophobicContact CD2-CE1 3.97Å; L29-F50 HydrophobicContact CD2-CZ 4.25Å; L29-I66 CarbonylContact C-O 3.58Å; L29-I66 HydrophobicContact CD2-CB 3.97Å; L29-I66 HydrophobicContact CD2-CD1 4.27Å; L29-I66 HydrophobicContact CD2-CG2 4.31Å; L29-L68 HydrophobicContact CB-CD1 4.38Å; L29-L68 HydrophobicContact CD1-CD1 4.25Å; L29-L76 HydrophobicContact CB-CD2 4.2Å; L29-L76 HydrophobicContact CD1-CD1 4.25Å; L29-L76 HydrophobicContact CD1-CD2 4.46Å; L29-L80 HydrophobicContact CD1-CD2 4.17Å
30	V	93.7	Very high	92.9	Very high	12 Å²	12	57.3 Å²	57.3	7%	0.073	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	117.5	177.7	-174.8	0	0	0	0	108.8	V28 I34 I66 F67 L68	V28-V30 HydrophobicContact CG1-CG2 4.34Å; V30-I34 WeakPolarHBondContact CA-O 3.39Å; V30-I66 PolarHBondContact N-O 3Å; V30-F67 HydrophobicContact CB-CD1 3.75Å; V30-F67 HydrophobicContact CB-CE1 3.9Å; V30-F67 HydrophobicContact CB-CG 4.44Å; V30-F67 HydrophobicContact CG1-CD1 3.82Å; V30-F67 HydrophobicContact CG1-CE1 3.77Å; V30-F67 HydrophobicContact CG2-CD1 4.43Å; V30-F67 HydrophobicContact CG2-CE1 4.17Å; V30-F67 WeakPolarHBondContact O-CA 3.49Å; V30-L68 PolarHBondContact O-N 3.12Å
31	A	93.5	Very high	93	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	129.6	176.8	0	0	0	0	0	108.8	G33 I34 F36 T71 A73 L76	A31-G33 PolarHBondContact O-N 3.32Å; A31-I34 PolarHBondContact N-O 3.43Å; A31-I34 PolarHBondContact O-N 3.46Å; A31-F36 HydrophobicContact CB-CE2 4.36Å; A31-T71 WeakPolarHBondContact CB-O 3.33Å; A31-A73 HydrophobicContact CB-CB 4.19Å; A31-L76 HydrophobicContact CB-CD2 3.66Å
32	E	91.4	Very high	93	Very high	143 Å²	143	52.1 Å²	52.1	67%	0.668	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.6	30.6	-177.3	-57.9	178.4	136.7	0	0	114.4	I34 A73	E32-I34 VanDerWaalsContact C-N 3.31Å; E32-I34 PolarHBondContact O-N 2.9Å; E32-A73 HydrophobicContact CB-CB 4.15Å; E32-A73 PolarHBondContact OE2-N 2.99Å
33	G	89.6	Confident	93.1	Very high	66 Å²	66	46 Å²	46	68%	0.68	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.7	-0.8	-178.1	0	0	0	0	0	115.3	A31	A31-G33 PolarHBondContact O-N 3.32Å
34	I	94.4	Very high	93.3	Very high	83 Å²	83	41.5 Å²	41.5	43%	0.426	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	129.7	174.6	-51.3	-173	0	0	0	109.6	V30 A31 E32 F36 A73	V30-I34 WeakPolarHBondContact CA-O 3.39Å; A31-I34 PolarHBondContact N-O 3.43Å; A31-I34 PolarHBondContact O-N 3.46Å; E32-I34 VanDerWaalsContact C-N 3.31Å; E32-I34 PolarHBondContact O-N 2.9Å; I34-F36 HydrophobicContact CB-CE2 3.83Å; I34-F36 HydrophobicContact CB-CZ 3.99Å; I34-F36 HydrophobicContact CG2-CD2 4.45Å; I34-F36 HydrophobicContact CG2-CE1 4.06Å; I34-F36 HydrophobicContact CG2-CE2 3.7Å; I34-F36 HydrophobicContact CG2-CZ 3.48Å; I34-F36 VanDerWaalsContact CG2-CZ 3.48Å; I34-F36 WeakPolarHBondContact O-CD2 3.32Å; I34-F36 WeakPolarHBondContact O-CE2 3.27Å; I34-A73 HydrophobicContact CB-CB 4.19Å; I34-A73 HydrophobicContact CD1-CB 3.78Å; I34-A73 HydrophobicContact CG1-CB 4.13Å
35	S	94.4	Very high	93.4	Very high	71 Å²	71	37.6 Å²	37.6	50%	0.497	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	133.7	-178.6	-64.2	0	0	0	0	112.1	L29	L29-S35 CarbonylContact O-C 3.53Å; L29-S35 WeakPolarHBondContact O-CA 3.35Å
36	F	95.5	Very high	93.5	Very high	25 Å²	25	40.6 Å²	40.6	11%	0.11	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	98.2	-178.1	-59.3	-85	0	0	0	111.2	V28 L29 A31 I34 C38 A73 L76 A77 L80	V28-F36 WeakPolarHBondContact CA-O 3.38Å; L29-F36 HydrophobicContact CB-CB 4.39Å; L29-F36 PolarHBondContact N-O 3.48Å; L29-F36 PolarHBondContact O-N 3.12Å; A31-F36 HydrophobicContact CB-CE2 4.36Å; I34-F36 HydrophobicContact CB-CE2 3.83Å; I34-F36 HydrophobicContact CB-CZ 3.99Å; I34-F36 HydrophobicContact CG2-CD2 4.45Å; I34-F36 HydrophobicContact CG2-CE1 4.06Å; I34-F36 HydrophobicContact CG2-CE2 3.7Å; I34-F36 HydrophobicContact CG2-CZ 3.48Å; I34-F36 VanDerWaalsContact CG2-CZ 3.48Å; I34-F36 WeakPolarHBondContact O-CD2 3.32Å; I34-F36 WeakPolarHBondContact O-CE2 3.27Å; F36-C38 PolarHBondContact O-N 3.34Å; F36-C38 PolarHBondContact O-SG 2.94Å; F36-A73 HydrophobicContact CE2-CB 4.26Å; F36-A73 HydrophobicContact CZ-CB 4.22Å; F36-L76 HydrophobicContact CD2-CD2 3.84Å; F36-L76 HydrophobicContact CE2-CD2 4.06Å; F36-A77 HydrophobicContact CE1-CB 3.73Å; F36-A77 HydrophobicContact CZ-CB 4.16Å; F36-L80 HydrophobicContact CB-CD1 3.64Å; F36-L80 HydrophobicContact CD1-CD1 4.05Å; F36-L80 HydrophobicContact CG-CD1 3.88Å
37	P	94.9	Very high	93.6	Very high	27 Å²	27	37 Å²	37	18%	0.175	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	128.4	172.4	-20.8	33.5	0	0	0	111.4	R19 E22 T25	R19-P37 WeakPolarHBondContact CG-O 3.42Å; R19-P37 PolarHBondContact NE-O 3.37Å; R19-P37 VanDerWaalsContact NE-O 3.16Å; E22-P37 HydrophobicContact CG-CB 4.23Å; E22-P37 HydrophobicContact CG-CG 4.12Å; T25-P37 HydrophobicContact CG2-CB 4.01Å
38	C	95.1	Very high	93.7	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	172.8	-172.9	-62.7	0	0	0	0	112.1	T25 D26 V27 F36 L43	T25-C38 WeakPolarHBondContact CA-O 3.19Å; T25-C38 WeakPolarHBondContact CB-O 3.26Å; D26-C38 PolarHBondContact N-O 2.84Å; V27-C38 HydrophobicContact CG1-CB 4.11Å; V27-C38 PolarHBondContact N-O 3.36Å; V27-C38 PolarHBondContact O-N 3.1Å; F36-C38 PolarHBondContact O-N 3.34Å; F36-C38 PolarHBondContact O-SG 2.94Å; C38-L43 HydrophobicContact CB-CD1 3.92Å; C38-L43 HydrophobicContact CB-CD2 4.45Å; C38-L43 HydrophobicContact CB-CG 4.27Å
39	H	94.5	Very high	93.6	Very high	12 Å²	12	42.7 Å²	42.7	6%	0.056	25%	0.247	C	C	.	.			trans	-107.8	122	173.9	-54.9	87.2	0	0	0	110.3	H23 L24 D26 V41 I42 L43 Y84	H23-H39 PolarHBondContact O-NE2 2.97Å; L24-H39 PolarHBondContact O-CD2 3.09Å; L24-H39 VanDerWaalsContact O-CD2 3.3Å; D26-H39 VanDerWaalsContact OD1-CA 3.25Å; D26-H39 WeakPolarHBondContact OD1-CA 3.45Å; H39-V41 HydrophobicContact CB-CG1 4.31Å; H39-V41 PolarHBondContact O-N 3.04Å; H39-I42 HydrophobicContact CB-CB 4.37Å; H39-I42 HydrophobicContact CB-CG1 4.19Å; H39-I42 PolarHBondContact O-N 3.27Å; H39-L43 PolarHBondContact O-N 2.99Å; H39-L43 VanDerWaalsContact O-N 3.09Å; H39-Y84 WeakPolarHBondContact CB-OH 3.49Å; H39-Y84 PolarHBondContact N-OH 3.27Å; H39-Y84 VanDerWaalsContact N-OH 3.09Å; H39-Y84 AromaticContact ND1-CE1 3.68Å; H39-Y84 AromaticContact ND1-CZ 3.64Å; H39-Y84 PolarHBondContact ND1-OH 3.15Å
40	R	92.3	Very high	93.5	Very high	46 Å²	46	42.7 Å²	42.7	17%	0.174	25%	0.247	C	C	.	.	H	α-helix	trans	-55.2	-36.5	-180	-70.1	175.1	167.2	-141.6	-3.9	112.5	D26 V27 L43 S44 F54 E60 C61 N63	D26-R40 PolarHBondContact O-NE 3.01Å; D26-R40 WeakPolarHBondContact OD1-CG 3.33Å; D26-R40 PolarHBondContact OD1-N 3.01Å; D26-R40 WeakPolarHBondContact OD2-CB 3.44Å; V27-R40 HydrophobicContact CB-CG 3.71Å; V27-R40 HydrophobicContact CG1-CG 3.59Å; R40-L43 PolarHBondContact O-N 3.43Å; R40-S44 VanDerWaalsContact O-CB 3.28Å; R40-S44 WeakPolarHBondContact O-CB 3.26Å; R40-S44 PolarHBondContact O-N 2.68Å; R40-S44 PolarHBondContact O-OG 2.84Å; R40-F54 HydrophobicContact CB-CD2 3.89Å; R40-F54 HydrophobicContact CB-CE2 4.01Å; R40-F54 HydrophobicContact CB-CG 4.38Å; R40-F54 HydrophobicContact CG-CD1 4.34Å; R40-F54 HydrophobicContact CG-CD2 4.06Å; R40-F54 HydrophobicContact CG-CE1 4.22Å; R40-F54 HydrophobicContact CG-CE2 3.91Å; R40-F54 HydrophobicContact CG-CG 4.29Å; R40-F54 HydrophobicContact CG-CZ 4.02Å; R40-E60 PolarHBondContact NH2-O 3.37Å; R40-C61 VanDerWaalsContact CZ-O 3.3Å; R40-C61 PolarHBondContact NH1-O 3.39Å; R40-C61 PolarHBondContact NH2-O 3.44Å; R40-N63 PolarHBondContact NH2-O 3.12Å
41	V	91.7	Very high	93.4	Very high	102 Å²	102	48.2 Å²	48.2	62%	0.618	27%	0.267	S	S	*	.	H	α-helix	trans	-64.5	-40	179	70.3	0	0	0	0	112.1	H39 A45	H39-V41 HydrophobicContact CB-CG1 4.31Å; H39-V41 PolarHBondContact O-N 3.04Å; V41-A45 WeakPolarHBondContact O-CB 3.29Å; V41-A45 PolarHBondContact O-N 3.32Å
42	I	94	Very high	93.2	Very high	14 Å²	14	51.9 Å²	51.9	7%	0.072	29%	0.289	C	S	.	.	H	α-helix	trans	-69.9	-48.3	176.9	-67.2	-59.3	0	0	0	109.8	L15 H39 S44 A45 F46 M83 Y84	L15-I42 HydrophobicContact CD1-CD1 3.87Å; L15-I42 HydrophobicContact CD1-CG1 4.45Å; H39-I42 HydrophobicContact CB-CB 4.37Å; H39-I42 HydrophobicContact CB-CG1 4.19Å; H39-I42 PolarHBondContact O-N 3.27Å; I42-S44 VanDerWaalsContact C-N 3.29Å; I42-S44 PolarHBondContact O-N 3.33Å; I42-A45 WeakPolarHBondContact O-CB 3.29Å; I42-A45 PolarHBondContact O-N 3.06Å; I42-F46 HydrophobicContact CG2-CD2 4.07Å; I42-F46 HydrophobicContact CG2-CE2 4.3Å; I42-F46 WeakPolarHBondContact O-CD2 3.49Å; I42-F46 PolarHBondContact O-N 3.4Å; I42-M83 HydrophobicContact CG2-CB 3.96Å; I42-Y84 HydrophobicContact CB-CE1 4.28Å; I42-Y84 HydrophobicContact CG1-CE1 3.86Å; I42-Y84 HydrophobicContact CG2-CD2 4.33Å; I42-Y84 HydrophobicContact CG2-CE1 4.08Å; I42-Y84 HydrophobicContact CG2-CE2 3.85Å
43	L	94.2	Very high	93.1	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-55.1	-46.3	176.5	-65.6	176	0	0	0	111.5	V27 L29 C38 H39 R40 A45 F46 S47 F50 F54 L80 M83	V27-L43 HydrophobicContact CG1-CD1 3.7Å; L29-L43 HydrophobicContact CD1-CD1 4.07Å; L29-L43 HydrophobicContact CD1-CD2 4.12Å; L29-L43 HydrophobicContact CD2-CD1 4.36Å; L29-L43 HydrophobicContact CG-CD1 4.34Å; C38-L43 HydrophobicContact CB-CD1 3.92Å; C38-L43 HydrophobicContact CB-CD2 4.45Å; C38-L43 HydrophobicContact CB-CG 4.27Å; H39-L43 PolarHBondContact O-N 2.99Å; H39-L43 VanDerWaalsContact O-N 3.09Å; R40-L43 PolarHBondContact O-N 3.43Å; L43-A45 VanDerWaalsContact C-N 3.32Å; L43-A45 PolarHBondContact O-N 3.27Å; L43-F46 PolarHBondContact O-N 3.33Å; L43-S47 WeakPolarHBondContact O-CB 3.47Å; L43-S47 PolarHBondContact O-N 2.93Å; L43-F50 HydrophobicContact CB-CB 3.92Å; L43-F50 HydrophobicContact CB-CD2 3.78Å; L43-F50 HydrophobicContact CB-CG 3.94Å; L43-F50 HydrophobicContact CD2-CD2 4.03Å; L43-F50 HydrophobicContact CD2-CE2 3.99Å; L43-F50 HydrophobicContact CG-CD2 4.34Å; L43-F54 HydrophobicContact CB-CE2 4.05Å; L43-F54 HydrophobicContact CD1-CE2 4.03Å; L43-F54 HydrophobicContact CD1-CZ 4.24Å; L43-L80 HydrophobicContact CD2-CD2 3.51Å; L43-M83 HydrophobicContact CD2-CE 4.41Å; L43-M83 HydrophobicContact CD2-SD 3.71Å
44	S	93.8	Very high	93	Very high	20 Å²	20	43.9 Å²	43.9	14%	0.14	23%	0.234	C	C	.	.	H	α-helix	trans	-67.3	-29.9	178.4	-57	0	0	0	0	113.7	R40 I42 R51 F54	R40-S44 VanDerWaalsContact O-CB 3.28Å; R40-S44 WeakPolarHBondContact O-CB 3.26Å; R40-S44 PolarHBondContact O-N 2.68Å; R40-S44 PolarHBondContact O-OG 2.84Å; I42-S44 VanDerWaalsContact C-N 3.29Å; I42-S44 PolarHBondContact O-N 3.33Å; S44-R51 PolarHBondContact O-NE 3.26Å; S44-R51 PolarHBondContact O-NH2 3.1Å; S44-F54 WeakPolarHBondContact OG-CD2 3.27Å
45	A	93.1	Very high	92.6	Very high	57 Å²	57	44.9 Å²	44.9	47%	0.471	24%	0.244	S	C	.	.	H	α-helix	trans	-68.3	-42.4	178.7	0	0	0	0	0	110.8	V41 I42 L43 R51	V41-A45 WeakPolarHBondContact O-CB 3.29Å; V41-A45 PolarHBondContact O-N 3.32Å; I42-A45 WeakPolarHBondContact O-CB 3.29Å; I42-A45 PolarHBondContact O-N 3.06Å; L43-A45 VanDerWaalsContact C-N 3.32Å; L43-A45 PolarHBondContact O-N 3.27Å; A45-R51 PolarHBondContact O-NH2 3.37Å
46	F	93.2	Very high	91.8	Very high	79 Å²	79	45.1 Å²	45.1	35%	0.346	25%	0.245	S	C	.	.	H	α-helix	trans	-97.6	-15.8	-173.7	-71.8	-83.8	0	0	0	115	I42 L43 M83 M107	I42-F46 HydrophobicContact CG2-CD2 4.07Å; I42-F46 HydrophobicContact CG2-CE2 4.3Å; I42-F46 WeakPolarHBondContact O-CD2 3.49Å; I42-F46 PolarHBondContact O-N 3.4Å; L43-F46 PolarHBondContact O-N 3.33Å; F46-M83 HydrophobicContact CB-CE 4.35Å; F46-M83 HydrophobicContact CB-CG 3.82Å; F46-M83 HydrophobicContact CB-SD 4.22Å; F46-M83 HydrophobicContact CD2-CB 4.1Å; F46-M83 HydrophobicContact CD2-CG 4.24Å; F46-M83 VanDerWaalsContact CE2-O 3.32Å; F46-M83 WeakPolarHBondContact CE2-O 3.3Å; F46-M83 HydrophobicContact CG-CB 4.34Å; F46-M83 HydrophobicContact CG-CG 4.04Å; F46-M107 HydrophobicContact CB-CE 4.44Å
47	S	95.4	Very high	90.5	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	27%	0.273	C	S	.	.			trans	-131.7	114.8	-179.3	168.2	0	0	0	0	110.8	L43 Y49 F50 R51 L105	L43-S47 WeakPolarHBondContact O-CB 3.47Å; L43-S47 PolarHBondContact O-N 2.93Å; S47-Y49 PolarHBondContact O-N 3.15Å; S47-Y49 WeakPolarHBondContact OG-CB 3.36Å; S47-Y49 PolarHBondContact OG-N 2.95Å; S47-F50 PolarHBondContact O-N 2.91Å; S47-F50 WeakPolarHBondContact OG-CD2 3.47Å; S47-F50 PolarHBondContact OG-N 2.88Å; S47-R51 PolarHBondContact O-N 2.65Å; S47-L105 WeakPolarHBondContact CB-O 3.17Å; S47-L105 PolarHBondContact OG-O 2.98Å
48	P	94.1	Very high	89.2	Confident	56 Å²	56	50.7 Å²	50.7	36%	0.364	29%	0.29	S	S	.	.	H	α-helix	trans	-57.8	-35	170.7	-23	33.8	0	0	0	112.7	R51 V52 Q106	P48-R51 WeakPolarHBondContact O-CB 3.49Å; P48-R51 PolarHBondContact O-N 3.07Å; P48-V52 WeakPolarHBondContact O-CG2 3.23Å; P48-V52 PolarHBondContact O-N 3.18Å; P48-Q106 HydrophobicContact CB-CB 4.29Å; P48-Q106 WeakPolarHBondContact CD-O 3.38Å; P48-Q106 HydrophobicContact CG-CB 4.26Å
49	Y	92.3	Very high	87.7	Confident	83 Å²	83	60.6 Å²	60.6	33%	0.325	33%	0.327	S	S	.	.	H	α-helix	trans	-56.2	-52.8	174.8	173.8	-94.5	0	0	0	111.5	S47 R51 V52 M53 L68 L105	S47-Y49 PolarHBondContact O-N 3.15Å; S47-Y49 WeakPolarHBondContact OG-CB 3.36Å; S47-Y49 PolarHBondContact OG-N 2.95Å; Y49-R51 VanDerWaalsContact C-N 3.34Å; Y49-R51 PolarHBondContact O-N 3.4Å; Y49-V52 PolarHBondContact O-N 2.96Å; Y49-M53 HydrophobicContact CD1-CE 4.25Å; Y49-M53 HydrophobicContact CE1-CE 3.28Å; Y49-M53 HydrophobicContact CE2-CE 4.41Å; Y49-M53 WeakPolarHBondContact O-CB 3.45Å; Y49-M53 PolarHBondContact O-N 2.88Å; Y49-M53 WeakPolarHBondContact OH-CE 3.44Å; Y49-L68 HydrophobicContact CE1-CD2 4.45Å; Y49-L105 HydrophobicContact CD1-CD2 3.72Å; Y49-L105 HydrophobicContact CE1-CD2 3.99Å; Y49-L105 HydrophobicContact CG-CD2 4.47Å
50	F	92.4	Very high	86.4	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-66.9	-35.6	177.2	-71.5	-50.7	0	0	0	112.5	L29 L43 S47 V52 M53 F54 L68 L105	L29-F50 HydrophobicContact CD1-CE1 4.31Å; L29-F50 HydrophobicContact CD1-CE2 4.33Å; L29-F50 HydrophobicContact CD1-CZ 3.76Å; L29-F50 HydrophobicContact CD2-CE1 3.97Å; L29-F50 HydrophobicContact CD2-CZ 4.25Å; L43-F50 HydrophobicContact CB-CB 3.92Å; L43-F50 HydrophobicContact CB-CD2 3.78Å; L43-F50 HydrophobicContact CB-CG 3.94Å; L43-F50 HydrophobicContact CD2-CD2 4.03Å; L43-F50 HydrophobicContact CD2-CE2 3.99Å; L43-F50 HydrophobicContact CG-CD2 4.34Å; S47-F50 PolarHBondContact O-N 2.91Å; S47-F50 WeakPolarHBondContact OG-CD2 3.47Å; S47-F50 PolarHBondContact OG-N 2.88Å; F50-V52 PolarHBondContact O-N 2.6Å; F50-M53 HydrophobicContact CD1-SD 4.2Å; F50-M53 PolarHBondContact O-N 3.35Å; F50-F54 HydrophobicContact CB-CD2 4.15Å; F50-F54 HydrophobicContact CB-CE2 3.79Å; F50-F54 HydrophobicContact CD1-CE2 4.18Å; F50-F54 HydrophobicContact CD1-CZ 4.14Å; F50-F54 HydrophobicContact CG-CE2 4.23Å; F50-F54 WeakPolarHBondContact O-CB 3.42Å; F50-F54 WeakPolarHBondContact O-CD2 3.46Å; F50-F54 VanDerWaalsContact O-CG 3.3Å; F50-F54 WeakPolarHBondContact O-CG 3.38Å; F50-F54 PolarHBondContact O-N 3.45Å; F50-L68 HydrophobicContact CE1-CD2 4.5Å; F50-L68 HydrophobicContact CZ-CD1 4.16Å; F50-L105 HydrophobicContact CE1-CD2 4.22Å; F50-L105 HydrophobicContact CE2-CD1 4.08Å; F50-L105 HydrophobicContact CE2-CD2 3.73Å; F50-L105 HydrophobicContact CE2-CG 4.4Å; F50-L105 HydrophobicContact CZ-CD1 4.33Å; F50-L105 HydrophobicContact CZ-CD2 3.5Å
51	R	91.6	Very high	85.2	Confident	128 Å²	128	62.7 Å²	62.7	48%	0.483	34%	0.342	S	S	.	.	H	α-helix	trans	-57.8	-51.4	176.1	-172.3	-179.6	-60.3	-160.1	3.5	111.2	S44 A45 S47 P48 Y49 F54 T55	S44-R51 PolarHBondContact O-NE 3.26Å; S44-R51 PolarHBondContact O-NH2 3.1Å; A45-R51 PolarHBondContact O-NH2 3.37Å; S47-R51 PolarHBondContact O-N 2.65Å; P48-R51 WeakPolarHBondContact O-CB 3.49Å; P48-R51 PolarHBondContact O-N 3.07Å; Y49-R51 VanDerWaalsContact C-N 3.34Å; Y49-R51 PolarHBondContact O-N 3.4Å; R51-F54 PolarHBondContact O-N 3.47Å; R51-T55 WeakPolarHBondContact O-CB 3.34Å; R51-T55 WeakPolarHBondContact O-CG2 3.19Å; R51-T55 PolarHBondContact O-N 3.22Å; R51-T55 PolarHBondContact O-OG1 2.88Å
52	V	89.6	Confident	84.1	Confident	78 Å²	78	63 Å²	63	47%	0.473	35%	0.349	S	S	.	.	H	α-helix	trans	-62.8	-45.7	177.9	172.2	0	0	0	0	110.3	P48 Y49 F50 F54 T55 C56	P48-V52 WeakPolarHBondContact O-CG2 3.23Å; P48-V52 PolarHBondContact O-N 3.18Å; Y49-V52 PolarHBondContact O-N 2.96Å; F50-V52 PolarHBondContact O-N 2.6Å; V52-F54 VanDerWaalsContact C-N 3.26Å; V52-F54 PolarHBondContact O-N 2.92Å; V52-T55 PolarHBondContact O-N 2.87Å; V52-C56 HydrophobicContact CG1-CB 4.38Å; V52-C56 WeakPolarHBondContact O-CB 3.42Å; V52-C56 PolarHBondContact O-N 3.45Å; V52-C56 PolarHBondContact O-SG 3.08Å
53	M	88.1	Confident	83.5	Confident	19 Å²	19	65.9 Å²	65.9	9%	0.094	36%	0.364	C	S	.	.	H	α-helix	trans	-56	-39.2	177.7	-178.3	-176.1	-74.1	0	0	112.7	Y49 F50 E60 C61 I66	Y49-M53 HydrophobicContact CD1-CE 4.25Å; Y49-M53 HydrophobicContact CE1-CE 3.28Å; Y49-M53 HydrophobicContact CE2-CE 4.41Å; Y49-M53 WeakPolarHBondContact O-CB 3.45Å; Y49-M53 PolarHBondContact O-N 2.88Å; Y49-M53 WeakPolarHBondContact OH-CE 3.44Å; F50-M53 HydrophobicContact CD1-SD 4.2Å; F50-M53 PolarHBondContact O-N 3.35Å; M53-E60 HydrophobicContact CG-CB 3.84Å; M53-E60 HydrophobicContact CG-CG 4.47Å; M53-E60 HydrophobicContact SD-CB 4.35Å; M53-C61 PolarHBondContact O-SG 2.85Å; M53-I66 HydrophobicContact CE-CG2 4.36Å; M53-I66 HydrophobicContact SD-CD1 3.84Å; M53-I66 HydrophobicContact SD-CG2 3.99Å
54	F	88.4	Confident	83	Confident	22 Å²	22	73.9 Å²	73.9	10%	0.096	39%	0.394	C	S	.	.	H	α-helix	trans	-88.2	-22.2	-177.1	-61.9	-38.1	0	0	0	114.6	V27 R40 L43 S44 F50 R51 V52 C61 I66	V27-F54 HydrophobicContact CG2-CE1 4.41Å; V27-F54 HydrophobicContact CG2-CZ 4.2Å; R40-F54 HydrophobicContact CB-CD2 3.89Å; R40-F54 HydrophobicContact CB-CE2 4.01Å; R40-F54 HydrophobicContact CB-CG 4.38Å; R40-F54 HydrophobicContact CG-CD1 4.34Å; R40-F54 HydrophobicContact CG-CD2 4.06Å; R40-F54 HydrophobicContact CG-CE1 4.22Å; R40-F54 HydrophobicContact CG-CE2 3.91Å; R40-F54 HydrophobicContact CG-CG 4.29Å; R40-F54 HydrophobicContact CG-CZ 4.02Å; L43-F54 HydrophobicContact CB-CE2 4.05Å; L43-F54 HydrophobicContact CD1-CE2 4.03Å; L43-F54 HydrophobicContact CD1-CZ 4.24Å; S44-F54 WeakPolarHBondContact OG-CD2 3.27Å; F50-F54 HydrophobicContact CB-CD2 4.15Å; F50-F54 HydrophobicContact CB-CE2 3.79Å; F50-F54 HydrophobicContact CD1-CE2 4.18Å; F50-F54 HydrophobicContact CD1-CZ 4.14Å; F50-F54 HydrophobicContact CG-CE2 4.23Å; F50-F54 WeakPolarHBondContact O-CB 3.42Å; F50-F54 WeakPolarHBondContact O-CD2 3.46Å; F50-F54 VanDerWaalsContact O-CG 3.3Å; F50-F54 WeakPolarHBondContact O-CG 3.38Å; F50-F54 PolarHBondContact O-N 3.45Å; R51-F54 PolarHBondContact O-N 3.47Å; V52-F54 VanDerWaalsContact C-N 3.26Å; V52-F54 PolarHBondContact O-N 2.92Å; F54-C61 PolarHBondContact O-SG 3.31Å; F54-C61 VanDerWaalsContact O-SG 3.39Å; F54-I66 HydrophobicContact CE1-CD1 3.37Å; F54-I66 HydrophobicContact CZ-CD1 3.72Å
55	T	86.4	Confident	82.9	Confident	104 Å²	104	78.1 Å²	78.1	64%	0.638	41%	0.412	S	S	*	.	H	α-helix	trans	-103.8	-18.6	-176.5	64.1	0	0	0	0	114.7	R51 V52 G57	R51-T55 WeakPolarHBondContact O-CB 3.34Å; R51-T55 WeakPolarHBondContact O-CG2 3.19Å; R51-T55 PolarHBondContact O-N 3.22Å; R51-T55 PolarHBondContact O-OG1 2.88Å; V52-T55 PolarHBondContact O-N 2.87Å; T55-G57 VanDerWaalsContact C-N 3.34Å; T55-G57 PolarHBondContact O-N 3.39Å
56	C	77.3	Confident	82.8	Confident	76 Å²	76	75.8 Å²	75.8	51%	0.514	39%	0.392	S	S	.	.	S	Bend	trans	-86.3	12.5	-172.3	-72.9	0	0	0	0	116.1	V52 L58	V52-C56 HydrophobicContact CG1-CB 4.38Å; V52-C56 WeakPolarHBondContact O-CB 3.42Å; V52-C56 PolarHBondContact O-N 3.45Å; V52-C56 PolarHBondContact O-SG 3.08Å; C56-L58 PolarHBondContact O-N 2.96Å
57	G	67.4	Low	82.6	Confident	68 Å²	68	78.3 Å²	78.3	70%	0.701	40%	0.402	S	S	*	.			trans	67.2	18.9	173.2	0	0	0	0	0	115.3	T55 C61	T55-G57 VanDerWaalsContact C-N 3.34Å; T55-G57 PolarHBondContact O-N 3.39Å; G57-C61 VanDerWaalsContact CA-SG 3.58Å; G57-C61 PolarHBondContact N-SG 3.12Å
58	L	69.4	Low	82.4	Confident	100 Å²	100	78.9 Å²	78.9	52%	0.524	41%	0.405	S	S	.	.			trans	-73.4	171.4	173.3	-67.8	170.7	0	0	0	111.2	C56 E60 C61	C56-L58 PolarHBondContact O-N 2.96Å; L58-E60 WeakPolarHBondContact CB-OE2 3.37Å; L58-E60 PolarHBondContact O-N 3.38Å; L58-C61 PolarHBondContact N-SG 3.23Å; L58-C61 VanDerWaalsContact N-SG 3.4Å; L58-C61 WeakPolarHBondContact O-CB 3.34Å; L58-C61 PolarHBondContact O-N 2.84Å; L58-C61 PolarHBondContact O-SG 3.49Å
59	R	63.2	Low	81.9	Confident	208 Å²	208	86.8 Å²	86.8	79%	0.785	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-62.5	-28.9	-175.2	-155.5	176.2	161.3	179.4	-7.3	112	C61 S62	R59-C61 VanDerWaalsContact C-N 3.28Å; R59-C61 PolarHBondContact O-N 3.49Å; R59-S62 PolarHBondContact O-N 2.9Å
60	E	66.3	Low	81.5	Confident	77 Å²	77	89 Å²	89	36%	0.36	45%	0.445	S	S	.	.	G	3₁₀ helix	trans	-66.7	-24.8	175.4	-65.3	75.1	-168.4	0	0	112.7	R40 M53 L58 S62 N63	R40-E60 PolarHBondContact NH2-O 3.37Å; M53-E60 HydrophobicContact CG-CB 3.84Å; M53-E60 HydrophobicContact CG-CG 4.47Å; M53-E60 HydrophobicContact SD-CB 4.35Å; L58-E60 WeakPolarHBondContact CB-OE2 3.37Å; L58-E60 PolarHBondContact O-N 3.38Å; E60-S62 PolarHBondContact O-N 3.12Å; E60-N63 PolarHBondContact O-N 3.02Å
61	C	67.4	Low	81.4	Confident	25 Å²	25	89.3 Å²	89.3	17%	0.169	45%	0.448	C	S	.	.	G	3₁₀ helix	trans	-60.1	-30.4	174.5	-65.6	0	0	0	0	111.9	R40 M53 F54 G57 L58 R59	R40-C61 VanDerWaalsContact CZ-O 3.3Å; R40-C61 PolarHBondContact NH1-O 3.39Å; R40-C61 PolarHBondContact NH2-O 3.44Å; M53-C61 PolarHBondContact O-SG 2.85Å; F54-C61 PolarHBondContact O-SG 3.31Å; F54-C61 VanDerWaalsContact O-SG 3.39Å; G57-C61 VanDerWaalsContact CA-SG 3.58Å; G57-C61 PolarHBondContact N-SG 3.12Å; L58-C61 PolarHBondContact N-SG 3.23Å; L58-C61 VanDerWaalsContact N-SG 3.4Å; L58-C61 WeakPolarHBondContact O-CB 3.34Å; L58-C61 PolarHBondContact O-N 2.84Å; L58-C61 PolarHBondContact O-SG 3.49Å; R59-C61 VanDerWaalsContact C-N 3.28Å; R59-C61 PolarHBondContact O-N 3.49Å
62	S	68.2	Low	81.4	Confident	110 Å²	110	85.1 Å²	85.1	77%	0.769	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.2	-10.3	-177	-57.1	0	0	0	0	113.6	R59 E60	R59-S62 PolarHBondContact O-N 2.9Å; E60-S62 PolarHBondContact O-N 3.12Å
63	N	81.4	Confident	81.5	Confident	74 Å²	74	81.5 Å²	81.5	40%	0.396	42%	0.415	S	S	.	.			trans	-84.4	136	-179.8	-78.6	-18.7	0	0	0	111.4	R40 E60	R40-N63 PolarHBondContact NH2-O 3.12Å; E60-N63 PolarHBondContact O-N 3.02Å
64	R	85.1	Confident	81.8	Confident	167 Å²	167	86.5 Å²	86.5	63%	0.63	44%	0.442	S	S	*	.	S	Bend	trans	-79.3	-30.2	174.6	-169.8	174.5	178.5	-178.4	-2.3	112.2	V27 V28	V27-R64 CarbonylContact C-O 3.07Å; V27-R64 WeakPolarHBondContact CA-O 3.48Å; V28-R64 PolarHBondContact N-O 3.17Å
65	E	91	Very high	82.2	Confident	109 Å²	109	85.8 Å²	85.8	51%	0.509	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	134.6	179.6	-71.1	176.7	-168.3	0	0	111.4	V28 F67	V28-E65 HydrophobicContact CB-CG 4.22Å; V28-E65 WeakPolarHBondContact O-CA 3.47Å; E65-F67 HydrophobicContact CB-CE2 4.4Å
66	I	90.3	Very high	82.6	Confident	9 Å²	9	80.9 Å²	80.9	5%	0.046	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	120.8	-177.2	-58.8	173	0	0	0	109	V27 V28 L29 V30 M53 F54 L68	V27-I66 HydrophobicContact CG2-CD1 3.48Å; V27-I66 VanDerWaalsContact CG2-CD1 3.48Å; V27-I66 HydrophobicContact CG2-CG1 4.06Å; V28-I66 PolarHBondContact O-N 2.83Å; L29-I66 CarbonylContact C-O 3.58Å; L29-I66 HydrophobicContact CD2-CB 3.97Å; L29-I66 HydrophobicContact CD2-CD1 4.27Å; L29-I66 HydrophobicContact CD2-CG2 4.31Å; V30-I66 PolarHBondContact N-O 3Å; M53-I66 HydrophobicContact CE-CG2 4.36Å; M53-I66 HydrophobicContact SD-CD1 3.84Å; M53-I66 HydrophobicContact SD-CG2 3.99Å; F54-I66 HydrophobicContact CE1-CD1 3.37Å; F54-I66 HydrophobicContact CZ-CD1 3.72Å; I66-L68 HydrophobicContact CG2-CD2 4.44Å
67	F	89.9	Confident	83.5	Confident	131 Å²	131	79 Å²	79	58%	0.575	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.2	115.5	-177.5	-65.5	-90.2	0	0	0	110.7	V30 E65	V30-F67 HydrophobicContact CB-CD1 3.75Å; V30-F67 HydrophobicContact CB-CE1 3.9Å; V30-F67 HydrophobicContact CB-CG 4.44Å; V30-F67 HydrophobicContact CG1-CD1 3.82Å; V30-F67 HydrophobicContact CG1-CE1 3.77Å; V30-F67 HydrophobicContact CG2-CD1 4.43Å; V30-F67 HydrophobicContact CG2-CE1 4.17Å; V30-F67 WeakPolarHBondContact O-CA 3.49Å; E65-F67 HydrophobicContact CB-CE2 4.4Å
68	L	90.1	Very high	84.8	Confident	12 Å²	12	77.8 Å²	77.8	6%	0.063	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	100.7	174.3	-61.2	175.7	0	0	0	108.2	L29 V30 Y49 F50 I66 L76	L29-L68 HydrophobicContact CB-CD1 4.38Å; L29-L68 HydrophobicContact CD1-CD1 4.25Å; V30-L68 PolarHBondContact O-N 3.12Å; Y49-L68 HydrophobicContact CE1-CD2 4.45Å; F50-L68 HydrophobicContact CE1-CD2 4.5Å; F50-L68 HydrophobicContact CZ-CD1 4.16Å; I66-L68 HydrophobicContact CG2-CD2 4.44Å; L68-L76 HydrophobicContact CD1-CD1 4.08Å; L68-L76 HydrophobicContact CD1-CD2 3.8Å
69	R	83.7	Confident	86.1	Confident	223 Å²	223	73 Å²	73	84%	0.842	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-33.2	-173.9	-66.2	-175.8	179.8	-177.2	-0.6	113.4
70	D	85	Confident	87.6	Confident	129 Å²	129	63.1 Å²	63.1	69%	0.69	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.5	25.7	-172.6	-52.1	-53.6	0	0	0	112	L104	D70-L104 HydrophobicContact CB-CD1 4.04Å; D70-L104 WeakPolarHBondContact O-CD1 3.38Å
71	T	88.6	Confident	88.9	Confident	7 Å²	7	62.3 Å²	62.3	4%	0.043	31%	0.313	C	S	.	.	S	Bend	trans	-127.5	117.5	-178.2	-53.1	0	0	0	0	110	A31 L76 A101	A31-T71 WeakPolarHBondContact CB-O 3.33Å; T71-L76 HydrophobicContact CG2-CB 4Å; T71-L76 HydrophobicContact CG2-CD1 4.44Å; T71-A101 HydrophobicContact CG2-CB 3.71Å
72	P	91.6	Very high	90.2	Very high	40 Å²	40	63.4 Å²	63.4	26%	0.26	31%	0.314	S	S	.	.			trans	-60.7	136.4	175.6	-21.3	31.9	0	0	0	111.2	D74 S75 L76	P72-D74 PolarHBondContact O-N 2.86Å; P72-S75 PolarHBondContact O-N 3.01Å; P72-L76 PolarHBondContact O-N 2.91Å
73	A	93.6	Very high	91.4	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.008	28%	0.278	C	S	.	.	H	α-helix	trans	-64.7	-38.8	-173.3	0	0	0	0	0	112.6	A31 E32 I34 F36 S75 L76 A77	A31-A73 HydrophobicContact CB-CB 4.19Å; E32-A73 HydrophobicContact CB-CB 4.15Å; E32-A73 PolarHBondContact OE2-N 2.99Å; I34-A73 HydrophobicContact CB-CB 4.19Å; I34-A73 HydrophobicContact CD1-CB 3.78Å; I34-A73 HydrophobicContact CG1-CB 4.13Å; F36-A73 HydrophobicContact CE2-CB 4.26Å; F36-A73 HydrophobicContact CZ-CB 4.22Å; A73-S75 VanDerWaalsContact C-N 3.34Å; A73-S75 PolarHBondContact O-N 2.94Å; A73-L76 PolarHBondContact O-N 2.85Å; A73-A77 WeakPolarHBondContact O-CB 3.4Å; A73-A77 PolarHBondContact O-N 2.91Å
74	D	94.4	Very high	92	Very high	124 Å²	124	55 Å²	55	66%	0.663	26%	0.259	S	S	*	.	H	α-helix	trans	-64.3	-39.9	177.3	-69	-22.4	0	0	0	111.9	P72 A77 L78	P72-D74 PolarHBondContact O-N 2.86Å; D74-A77 PolarHBondContact O-N 3.04Å; D74-L78 WeakPolarHBondContact O-CG 3.43Å; D74-L78 PolarHBondContact O-N 3.23Å; D74-L78 VanDerWaalsContact O-N 3.12Å
75	S	95.7	Very high	92.2	Very high	8 Å²	8	48.7 Å²	48.7	6%	0.056	24%	0.24	C	C	.	.	H	α-helix	trans	-67.3	-42.3	177	-63.9	0	0	0	0	111	P72 A73 A77 L78 L79 G97 I98	P72-S75 PolarHBondContact O-N 3.01Å; A73-S75 VanDerWaalsContact C-N 3.34Å; A73-S75 PolarHBondContact O-N 2.94Å; S75-A77 VanDerWaalsContact C-N 3.34Å; S75-A77 PolarHBondContact O-N 3.09Å; S75-L78 PolarHBondContact O-N 2.83Å; S75-L79 WeakPolarHBondContact O-CG 3.43Å; S75-L79 PolarHBondContact O-N 3.16Å; S75-G97 WeakPolarHBondContact OG-CA 3.21Å; S75-G97 PolarHBondContact OG-O 3.34Å; S75-I98 PolarHBondContact OG-N 3.33Å
76	L	95.3	Very high	92.1	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-62	-42.1	174.4	-176.7	62.5	0	0	0	111.4	L29 A31 F36 L68 T71 P72 A73 L78 L79 L80 L105	L29-L76 HydrophobicContact CB-CD2 4.2Å; L29-L76 HydrophobicContact CD1-CD1 4.25Å; L29-L76 HydrophobicContact CD1-CD2 4.46Å; A31-L76 HydrophobicContact CB-CD2 3.66Å; F36-L76 HydrophobicContact CD2-CD2 3.84Å; F36-L76 HydrophobicContact CE2-CD2 4.06Å; L68-L76 HydrophobicContact CD1-CD1 4.08Å; L68-L76 HydrophobicContact CD1-CD2 3.8Å; T71-L76 HydrophobicContact CG2-CB 4Å; T71-L76 HydrophobicContact CG2-CD1 4.44Å; P72-L76 PolarHBondContact O-N 2.91Å; A73-L76 PolarHBondContact O-N 2.85Å; L76-L78 VanDerWaalsContact C-N 3.33Å; L76-L78 PolarHBondContact O-N 3.47Å; L76-L79 PolarHBondContact O-N 3.03Å; L76-L80 HydrophobicContact CD1-CD1 4.29Å; L76-L80 HydrophobicContact CD1-CG 4.14Å; L76-L80 HydrophobicContact CG-CD1 3.93Å; L76-L80 HydrophobicContact CG-CG 4.24Å; L76-L80 WeakPolarHBondContact O-CB 3.34Å; L76-L80 WeakPolarHBondContact O-CG 3.15Å; L76-L80 PolarHBondContact O-N 2.65Å; L76-L105 HydrophobicContact CD1-CD1 4.14Å
77	A	95.1	Very high	92.2	Very high	37 Å²	37	51.7 Å²	51.7	31%	0.306	27%	0.266	S	S	.	.	H	α-helix	trans	-58.6	-44.5	177.6	0	0	0	0	0	111.8	F36 A73 D74 S75 L80 N81	F36-A77 HydrophobicContact CE1-CB 3.73Å; F36-A77 HydrophobicContact CZ-CB 4.16Å; A73-A77 WeakPolarHBondContact O-CB 3.4Å; A73-A77 PolarHBondContact O-N 2.91Å; D74-A77 PolarHBondContact O-N 3.04Å; S75-A77 VanDerWaalsContact C-N 3.34Å; S75-A77 PolarHBondContact O-N 3.09Å; A77-L80 PolarHBondContact O-N 2.88Å; A77-N81 WeakPolarHBondContact O-CB 3.23Å; A77-N81 PolarHBondContact O-N 3.04Å
78	L	96.2	Very high	92.4	Very high	42 Å²	42	45.5 Å²	45.5	22%	0.22	24%	0.239	C	C	.	.	H	α-helix	trans	-66.9	-43.1	177.1	-69.3	174.4	0	0	0	112.5	D74 S75 L76 L80 N81 Y82 L88 P89 N94 I98	D74-L78 WeakPolarHBondContact O-CG 3.43Å; D74-L78 PolarHBondContact O-N 3.23Å; D74-L78 VanDerWaalsContact O-N 3.12Å; S75-L78 PolarHBondContact O-N 2.83Å; L76-L78 VanDerWaalsContact C-N 3.33Å; L76-L78 PolarHBondContact O-N 3.47Å; L78-L80 VanDerWaalsContact C-N 3.34Å; L78-L80 PolarHBondContact O-N 2.98Å; L78-N81 PolarHBondContact O-N 2.56Å; L78-Y82 WeakPolarHBondContact O-CB 3.43Å; L78-Y82 PolarHBondContact O-N 2.98Å; L78-L88 HydrophobicContact CB-CD1 4.17Å; L78-P89 HydrophobicContact CD2-CG 4.12Å; L78-N94 HydrophobicContact CD1-CB 4.39Å; L78-I98 HydrophobicContact CB-CD1 4.42Å; L78-I98 HydrophobicContact CD1-CD1 3.69Å; L78-I98 HydrophobicContact CD1-CG1 4.22Å
79	L	96.3	Very high	92.6	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-62.4	-42.3	175.2	-72.3	-179.6	0	0	0	111.9	S75 L76 Y82 M83 I98 A101 A102 L105 M107 V110	S75-L79 WeakPolarHBondContact O-CG 3.43Å; S75-L79 PolarHBondContact O-N 3.16Å; L76-L79 PolarHBondContact O-N 3.03Å; L79-Y82 WeakPolarHBondContact O-CB 3.41Å; L79-Y82 PolarHBondContact O-N 3.26Å; L79-M83 WeakPolarHBondContact O-CG 3.49Å; L79-M83 PolarHBondContact O-N 2.81Å; L79-I98 HydrophobicContact CD2-CG2 3.81Å; L79-I98 HydrophobicContact CG-CG2 4.36Å; L79-A101 HydrophobicContact CD1-CB 3.49Å; L79-A101 VanDerWaalsContact CD1-CB 3.49Å; L79-A102 HydrophobicContact CD2-CB 4.46Å; L79-L105 HydrophobicContact CD1-CD1 3.99Å; L79-M107 HydrophobicContact CD1-SD 4.21Å; L79-M107 HydrophobicContact CD2-CE 4.48Å; L79-M107 HydrophobicContact CD2-SD 4.12Å; L79-V110 HydrophobicContact CD2-CB 4.5Å; L79-V110 HydrophobicContact CD2-CG1 3.68Å
80	L	94.7	Very high	93.1	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-64.5	-44.4	175.2	-70	173.7	0	0	0	110.5	R19 L29 F36 L43 L76 A77 L78 Y82 M83 Y84	R19-L80 PolarHBondContact NH1-O 3.32Å; L29-L80 HydrophobicContact CD1-CD2 4.17Å; F36-L80 HydrophobicContact CB-CD1 3.64Å; F36-L80 HydrophobicContact CD1-CD1 4.05Å; F36-L80 HydrophobicContact CG-CD1 3.88Å; L43-L80 HydrophobicContact CD2-CD2 3.51Å; L76-L80 HydrophobicContact CD1-CD1 4.29Å; L76-L80 HydrophobicContact CD1-CG 4.14Å; L76-L80 HydrophobicContact CG-CD1 3.93Å; L76-L80 HydrophobicContact CG-CG 4.24Å; L76-L80 WeakPolarHBondContact O-CB 3.34Å; L76-L80 WeakPolarHBondContact O-CG 3.15Å; L76-L80 PolarHBondContact O-N 2.65Å; A77-L80 PolarHBondContact O-N 2.88Å; L78-L80 VanDerWaalsContact C-N 3.34Å; L78-L80 PolarHBondContact O-N 2.98Å; L80-Y82 VanDerWaalsContact C-N 3.26Å; L80-Y82 PolarHBondContact O-N 3.06Å; L80-M83 HydrophobicContact CD2-SD 4.18Å; L80-M83 PolarHBondContact O-N 2.76Å; L80-Y84 VanDerWaalsContact O-CD2 3.27Å; L80-Y84 WeakPolarHBondContact O-CD2 3.49Å; L80-Y84 PolarHBondContact O-N 2.86Å
81	N	93.6	Very high	93.5	Very high	60 Å²	60	35.2 Å²	35.2	32%	0.321	21%	0.206	S	C	.	.	H	α-helix	trans	-56.9	-44.5	175.1	-170.8	31.9	0	0	0	111.2	A77 L78 M83 Y84 T85	A77-N81 WeakPolarHBondContact O-CB 3.23Å; A77-N81 PolarHBondContact O-N 3.04Å; L78-N81 PolarHBondContact O-N 2.56Å; N81-M83 PolarHBondContact O-N 3.32Å; N81-Y84 PolarHBondContact O-N 3.26Å; N81-Y84 VanDerWaalsContact O-N 3.14Å; N81-T85 WeakPolarHBondContact O-CB 3.33Å; N81-T85 PolarHBondContact O-N 3.24Å; N81-T85 PolarHBondContact O-OG1 3.28Å; N81-T85 VanDerWaalsContact OD1-CG2 3.24Å; N81-T85 WeakPolarHBondContact OD1-CG2 3.38Å; N81-T85 PolarHBondContact OD1-OG1 3.22Å
82	Y	95	Very high	93.6	Very high	49 Å²	49	38.6 Å²	38.6	19%	0.192	23%	0.225	C	C	.	.	H	α-helix	trans	-57.8	-43.8	175.5	168.3	-101.1	0	0	0	112.9	L78 L79 L80 Y84 T85 S86 D87 L88 M107 V110	L78-Y82 WeakPolarHBondContact O-CB 3.43Å; L78-Y82 PolarHBondContact O-N 2.98Å; L79-Y82 WeakPolarHBondContact O-CB 3.41Å; L79-Y82 PolarHBondContact O-N 3.26Å; L80-Y82 VanDerWaalsContact C-N 3.26Å; L80-Y82 PolarHBondContact O-N 3.06Å; Y82-Y84 PolarHBondContact O-N 2.92Å; Y82-Y84 VanDerWaalsContact O-N 3.17Å; Y82-T85 PolarHBondContact O-N 3.46Å; Y82-S86 VanDerWaalsContact O-CA 3.3Å; Y82-S86 WeakPolarHBondContact O-CA 3.22Å; Y82-S86 PolarHBondContact O-N 3.11Å; Y82-D87 VanDerWaalsContact CA-O 3.29Å; Y82-D87 WeakPolarHBondContact CA-O 3.08Å; Y82-D87 WeakPolarHBondContact CB-O 3.44Å; Y82-L88 HydrophobicContact CD2-CB 3.78Å; Y82-L88 HydrophobicContact CG-CB 4.22Å; Y82-M107 HydrophobicContact CD1-CE 4.03Å; Y82-M107 HydrophobicContact CE1-CE 4.1Å; Y82-V110 HydrophobicContact CD1-CG2 3.77Å; Y82-V110 HydrophobicContact CE1-CG2 3.31Å
83	M	93.9	Very high	93.6	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.01	25%	0.252	C	S	.	.	H	α-helix	trans	-59.9	-28.2	178.2	-68.8	177.5	-171.9	0	0	113.4	I42 L43 F46 L79 L80 N81 M107	I42-M83 HydrophobicContact CG2-CB 3.96Å; L43-M83 HydrophobicContact CD2-CE 4.41Å; L43-M83 HydrophobicContact CD2-SD 3.71Å; F46-M83 HydrophobicContact CB-CE 4.35Å; F46-M83 HydrophobicContact CB-CG 3.82Å; F46-M83 HydrophobicContact CB-SD 4.22Å; F46-M83 HydrophobicContact CD2-CB 4.1Å; F46-M83 HydrophobicContact CD2-CG 4.24Å; F46-M83 VanDerWaalsContact CE2-O 3.32Å; F46-M83 WeakPolarHBondContact CE2-O 3.3Å; F46-M83 HydrophobicContact CG-CB 4.34Å; F46-M83 HydrophobicContact CG-CG 4.04Å; L79-M83 WeakPolarHBondContact O-CG 3.49Å; L79-M83 PolarHBondContact O-N 2.81Å; L80-M83 HydrophobicContact CD2-SD 4.18Å; L80-M83 PolarHBondContact O-N 2.76Å; N81-M83 PolarHBondContact O-N 3.32Å; M83-M107 HydrophobicContact CE-CE 3.49Å; M83-M107 VanDerWaalsContact CE-CE 3.49Å; M83-M107 HydrophobicContact CE-SD 3.41Å; M83-M107 WeakPolarHBondContact CE-SD 3.01Å; M83-M107 HydrophobicContact CG-CE 4.12Å
84	Y	92.4	Very high	93.6	Very high	4 Å²	4	45.8 Å²	45.8	2%	0.016	26%	0.261	C	S	.	.	H	α-helix	trans	-98.2	-24.8	179.7	-73.5	-88.1	0	0	0	113.8	L15 R16 R19 H39 I42 L80 N81 Y82	L15-Y84 HydrophobicContact CB-CD1 4.38Å; L15-Y84 HydrophobicContact CB-CE1 4.33Å; R16-Y84 HydrophobicContact CB-CD1 4.5Å; R19-Y84 HydrophobicContact CB-CE1 4.35Å; H39-Y84 WeakPolarHBondContact CB-OH 3.49Å; H39-Y84 PolarHBondContact N-OH 3.27Å; H39-Y84 VanDerWaalsContact N-OH 3.09Å; H39-Y84 AromaticContact ND1-CE1 3.68Å; H39-Y84 AromaticContact ND1-CZ 3.64Å; H39-Y84 PolarHBondContact ND1-OH 3.15Å; I42-Y84 HydrophobicContact CB-CE1 4.28Å; I42-Y84 HydrophobicContact CG1-CE1 3.86Å; I42-Y84 HydrophobicContact CG2-CD2 4.33Å; I42-Y84 HydrophobicContact CG2-CE1 4.08Å; I42-Y84 HydrophobicContact CG2-CE2 3.85Å; L80-Y84 VanDerWaalsContact O-CD2 3.27Å; L80-Y84 WeakPolarHBondContact O-CD2 3.49Å; L80-Y84 PolarHBondContact O-N 2.86Å; N81-Y84 PolarHBondContact O-N 3.26Å; N81-Y84 VanDerWaalsContact O-N 3.14Å; Y82-Y84 PolarHBondContact O-N 2.92Å; Y82-Y84 VanDerWaalsContact O-N 3.17Å
85	T	90.5	Very high	93.6	Very high	35 Å²	35	40.1 Å²	40.1	22%	0.215	23%	0.23	C	C	.	.	H	α-helix	trans	-119.1	-14	-170.4	63.2	0	0	0	0	114.7	N81 Y82 D87	N81-T85 WeakPolarHBondContact O-CB 3.33Å; N81-T85 PolarHBondContact O-N 3.24Å; N81-T85 PolarHBondContact O-OG1 3.28Å; N81-T85 VanDerWaalsContact OD1-CG2 3.24Å; N81-T85 WeakPolarHBondContact OD1-CG2 3.38Å; N81-T85 PolarHBondContact OD1-OG1 3.22Å; Y82-T85 PolarHBondContact O-N 3.46Å; T85-D87 PolarHBondContact O-N 3.42Å; T85-D87 PolarHBondContact OG1-N 2.81Å; T85-D87 VanDerWaalsContact OG1-N 3.16Å
86	S	88.9	Confident	93.5	Very high	89 Å²	89	43.2 Å²	43.2	62%	0.622	24%	0.244	S	C	*	.	S	Bend	trans	59.7	5.6	-165.1	69.9	0	0	0	0	115.5	Y82	Y82-S86 VanDerWaalsContact O-CA 3.3Å; Y82-S86 WeakPolarHBondContact O-CA 3.22Å; Y82-S86 PolarHBondContact O-N 3.11Å
87	D	91.3	Very high	93.4	Very high	92 Å²	92	44 Å²	44	49%	0.492	25%	0.252	S	S	.	.			trans	-93.9	130	176.9	-173.7	29.7	0	0	0	110.8	Y82 T85	Y82-D87 VanDerWaalsContact CA-O 3.29Å; Y82-D87 WeakPolarHBondContact CA-O 3.08Å; Y82-D87 WeakPolarHBondContact CB-O 3.44Å; T85-D87 PolarHBondContact O-N 3.42Å; T85-D87 PolarHBondContact OG1-N 2.81Å; T85-D87 VanDerWaalsContact OG1-N 3.16Å
88	L	94.7	Very high	93.4	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	24%	0.238	C	C	.	.			trans	-140.7	97.5	177.7	-175.6	67.7	0	0	0	108.3	L78 Y82 L90 I98 V110 R113	L78-L88 HydrophobicContact CB-CD1 4.17Å; Y82-L88 HydrophobicContact CD2-CB 3.78Å; Y82-L88 HydrophobicContact CG-CB 4.22Å; L88-L90 HydrophobicContact CD2-CD2 3.89Å; L88-L90 HydrophobicContact CD2-CG 4.41Å; L88-L90 HydrophobicContact CG-CD2 3.9Å; L88-L90 HydrophobicContact CG-CG 4.32Å; L88-L90 PolarHBondContact O-N 2.83Å; L88-I98 HydrophobicContact CD1-CD1 4.32Å; L88-I98 HydrophobicContact CD1-CG2 4.39Å; L88-I98 HydrophobicContact CD2-CG2 4.37Å; L88-V110 HydrophobicContact CD2-CG1 3.52Å; L88-R113 PolarHBondContact O-NH2 3.5Å
89	P	94	Very high	93.4	Very high	59 Å²	59	40.2 Å²	40.2	38%	0.383	23%	0.227	S	C	.	.			trans	-76	110.1	176.1	28.9	-32.3	0	0	0	109.8	L78 N94	L78-P89 HydrophobicContact CD2-CG 4.12Å; P89-N94 PolarHBondContact O-ND2 3.23Å
90	L	94.6	Very high	93.2	Very high	25 Å²	25	43.2 Å²	43.2	13%	0.131	24%	0.242	C	C	.	.			trans	-95.6	134	176.7	-62.6	178.7	0	0	0	110.2	L88 I98 R113 H117	L88-L90 HydrophobicContact CD2-CD2 3.89Å; L88-L90 HydrophobicContact CD2-CG 4.41Å; L88-L90 HydrophobicContact CG-CD2 3.9Å; L88-L90 HydrophobicContact CG-CG 4.32Å; L88-L90 PolarHBondContact O-N 2.83Å; L90-I98 HydrophobicContact CD2-CD1 3.82Å; L90-I98 HydrophobicContact CD2-CG2 4.45Å; L90-R113 HydrophobicContact CD1-CG 4.17Å; L90-H117 HydrophobicContact CB-CB 4.5Å; L90-H117 HydrophobicContact CD1-CB 3.84Å
91	T	94.1	Very high	93.2	Very high	64 Å²	64	43.2 Å²	43.2	39%	0.393	24%	0.242	S	C	.	.			trans	-136.6	160.2	175.6	62.6	0	0	0	0	108.9	D93 N94 V95	T91-D93 PolarHBondContact O-N 2.98Å; T91-D93 VanDerWaalsContact O-N 3.17Å; T91-N94 PolarHBondContact N-OD1 3.04Å; T91-N94 PolarHBondContact O-N 3.03Å; T91-N94 PolarHBondContact O-OD1 2.78Å; T91-N94 VanDerWaalsContact O-OD1 3.05Å; T91-N94 PolarHBondContact OG1-N 3.29Å; T91-N94 PolarHBondContact OG1-ND2 3.03Å; T91-N94 PolarHBondContact OG1-OD1 2.89Å; T91-V95 VanDerWaalsContact O-CB 3.28Å; T91-V95 WeakPolarHBondContact O-CB 3.4Å; T91-V95 WeakPolarHBondContact O-CG1 3.42Å; T91-V95 PolarHBondContact O-N 2.83Å
92	N	90.1	Very high	93.2	Very high	79 Å²	79	40.4 Å²	40.4	42%	0.422	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-29.8	178.3	-70.4	-9.7	0	0	0	112.6
93	D	90.6	Very high	93.1	Very high	158 Å²	158	42.7 Å²	42.7	85%	0.845	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78	-35.1	-178.8	-57.9	-28.8	0	0	0	112.7	T91	T91-D93 PolarHBondContact O-N 2.98Å; T91-D93 VanDerWaalsContact O-N 3.17Å
94	N	93.9	Very high	93	Very high	34 Å²	34	45.8 Å²	45.8	18%	0.182	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-19.6	-174.5	74.6	12.6	0	0	0	114.1	L78 P89 T91 Q96 G97 I98	L78-N94 HydrophobicContact CD1-CB 4.39Å; P89-N94 PolarHBondContact O-ND2 3.23Å; T91-N94 PolarHBondContact N-OD1 3.04Å; T91-N94 PolarHBondContact O-N 3.03Å; T91-N94 PolarHBondContact O-OD1 2.78Å; T91-N94 VanDerWaalsContact O-OD1 3.05Å; T91-N94 PolarHBondContact OG1-N 3.29Å; T91-N94 PolarHBondContact OG1-ND2 3.03Å; T91-N94 PolarHBondContact OG1-OD1 2.89Å; N94-Q96 VanDerWaalsContact C-N 3.32Å; N94-Q96 PolarHBondContact O-N 3.32Å; N94-G97 PolarHBondContact O-N 3.15Å; N94-I98 HydrophobicContact CB-CD1 4.01Å; N94-I98 VanDerWaalsContact O-CG1 3.3Å; N94-I98 WeakPolarHBondContact O-CG1 3.36Å; N94-I98 PolarHBondContact O-N 2.79Å; N94-I98 WeakPolarHBondContact OD1-CD1 3.38Å
95	V	94.9	Very high	93.1	Very high	4 Å²	4	45.7 Å²	45.7	2%	0.024	26%	0.255	C	S	.	.	H	α-helix	trans	-62.8	-36.5	-168.4	66.9	0	0	0	0	112.9	T91 S99 C114 H117 M118	T91-V95 VanDerWaalsContact O-CB 3.28Å; T91-V95 WeakPolarHBondContact O-CB 3.4Å; T91-V95 WeakPolarHBondContact O-CG1 3.42Å; T91-V95 PolarHBondContact O-N 2.83Å; V95-S99 VanDerWaalsContact O-CB 3.24Å; V95-S99 WeakPolarHBondContact O-CB 3.38Å; V95-S99 PolarHBondContact O-N 2.79Å; V95-S99 PolarHBondContact O-OG 2.94Å; V95-C114 HydrophobicContact CG2-CB 3.75Å; V95-H117 HydrophobicContact CG2-CB 4.47Å; V95-M118 HydrophobicContact CB-CG 4.48Å; V95-M118 HydrophobicContact CG1-CG 3.77Å; V95-M118 HydrophobicContact CG1-SD 4.25Å; V95-M118 HydrophobicContact CG2-CE 4.24Å; V95-M118 HydrophobicContact CG2-CG 3.83Å; V95-M118 HydrophobicContact CG2-SD 4.38Å
96	Q	93.5	Very high	93.3	Very high	73 Å²	73	48.5 Å²	48.5	34%	0.341	27%	0.265	S	S	.	.	H	α-helix	trans	-68.1	-45.8	178.7	-68.6	-178.3	-14.6	0	0	111.6	N94 S99 I100 M118 F133	N94-Q96 VanDerWaalsContact C-N 3.32Å; N94-Q96 PolarHBondContact O-N 3.32Å; Q96-S99 WeakPolarHBondContact O-CB 3.21Å; Q96-S99 PolarHBondContact O-N 3.33Å; Q96-I100 WeakPolarHBondContact O-CG1 3.5Å; Q96-I100 PolarHBondContact O-N 3.45Å; Q96-M118 HydrophobicContact CG-SD 4.47Å; Q96-F133 HydrophobicContact CB-CD2 4.14Å; Q96-F133 HydrophobicContact CB-CE2 3.96Å; Q96-F133 HydrophobicContact CB-CZ 4.39Å; Q96-F133 HydrophobicContact CG-CD1 4.43Å; Q96-F133 HydrophobicContact CG-CD2 4.08Å; Q96-F133 HydrophobicContact CG-CE2 4.27Å; Q96-F133 HydrophobicContact CG-CG 4.17Å
97	G	93.4	Very high	93.6	Very high	17 Å²	17	44.7 Å²	44.7	18%	0.175	24%	0.237	C	C	.	.	H	α-helix	trans	-62.4	-44.9	177.2	0	0	0	0	0	112.4	S75 N94 S99 I100 A101	S75-G97 WeakPolarHBondContact OG-CA 3.21Å; S75-G97 PolarHBondContact OG-O 3.34Å; N94-G97 PolarHBondContact O-N 3.15Å; G97-S99 VanDerWaalsContact C-N 3.3Å; G97-S99 PolarHBondContact O-N 3.3Å; G97-I100 PolarHBondContact O-N 2.92Å; G97-A101 WeakPolarHBondContact O-CB 3.39Å; G97-A101 PolarHBondContact O-N 3.35Å
98	I	95.8	Very high	93.7	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-62.5	-40	175.2	-63.1	166.6	0	0	0	110.4	S75 L78 L79 L88 L90 N94 A101 A102 V110	S75-I98 PolarHBondContact OG-N 3.33Å; L78-I98 HydrophobicContact CB-CD1 4.42Å; L78-I98 HydrophobicContact CD1-CD1 3.69Å; L78-I98 HydrophobicContact CD1-CG1 4.22Å; L79-I98 HydrophobicContact CD2-CG2 3.81Å; L79-I98 HydrophobicContact CG-CG2 4.36Å; L88-I98 HydrophobicContact CD1-CD1 4.32Å; L88-I98 HydrophobicContact CD1-CG2 4.39Å; L88-I98 HydrophobicContact CD2-CG2 4.37Å; L90-I98 HydrophobicContact CD2-CD1 3.82Å; L90-I98 HydrophobicContact CD2-CG2 4.45Å; N94-I98 HydrophobicContact CB-CD1 4.01Å; N94-I98 VanDerWaalsContact O-CG1 3.3Å; N94-I98 WeakPolarHBondContact O-CG1 3.36Å; N94-I98 PolarHBondContact O-N 2.79Å; N94-I98 WeakPolarHBondContact OD1-CD1 3.38Å; I98-A101 PolarHBondContact O-N 2.63Å; I98-A102 WeakPolarHBondContact O-CB 3.18Å; I98-A102 PolarHBondContact O-N 2.85Å; I98-V110 HydrophobicContact CG2-CG1 4.11Å
99	S	94.4	Very high	93.6	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-62.7	-44.9	178.5	-65.3	0	0	0	0	112.3	V95 Q96 G97 A102 F103 C114 M118	V95-S99 VanDerWaalsContact O-CB 3.24Å; V95-S99 WeakPolarHBondContact O-CB 3.38Å; V95-S99 PolarHBondContact O-N 2.79Å; V95-S99 PolarHBondContact O-OG 2.94Å; Q96-S99 WeakPolarHBondContact O-CB 3.21Å; Q96-S99 PolarHBondContact O-N 3.33Å; G97-S99 VanDerWaalsContact C-N 3.3Å; G97-S99 PolarHBondContact O-N 3.3Å; S99-A102 PolarHBondContact O-N 3.43Å; S99-F103 VanDerWaalsContact O-CB 3.32Å; S99-F103 WeakPolarHBondContact O-CB 3.2Å; S99-F103 PolarHBondContact O-N 3.27Å; S99-C114 WeakPolarHBondContact OG-CB 3.37Å; S99-M118 WeakPolarHBondContact OG-CE 3.43Å
100	I	93	Very high	93.7	Very high	63 Å²	63	50.3 Å²	50.3	32%	0.323	26%	0.26	S	S	.	.	H	α-helix	trans	-61.6	-49.7	176.5	-65.7	165.1	0	0	0	109.7	Q96 G97 A102 F103 L104 F133	Q96-I100 WeakPolarHBondContact O-CG1 3.5Å; Q96-I100 PolarHBondContact O-N 3.45Å; G97-I100 PolarHBondContact O-N 2.92Å; I100-A102 PolarHBondContact O-N 3.33Å; I100-F103 PolarHBondContact O-N 3.09Å; I100-L104 HydrophobicContact CG2-CD1 3.88Å; I100-L104 HydrophobicContact CG2-CG 4.38Å; I100-L104 WeakPolarHBondContact O-CG 3.39Å; I100-L104 PolarHBondContact O-N 2.72Å; I100-F133 HydrophobicContact CD1-CE2 3.97Å; I100-F133 HydrophobicContact CG1-CE2 3.73Å; I100-F133 HydrophobicContact CG1-CZ 4.29Å
101	A	94.1	Very high	93.7	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-60.6	-44.4	179.4	0	0	0	0	0	111.8	T71 L79 G97 I98 F103 L104 L105	T71-A101 HydrophobicContact CG2-CB 3.71Å; L79-A101 HydrophobicContact CD1-CB 3.49Å; L79-A101 VanDerWaalsContact CD1-CB 3.49Å; G97-A101 WeakPolarHBondContact O-CB 3.39Å; G97-A101 PolarHBondContact O-N 3.35Å; I98-A101 PolarHBondContact O-N 2.63Å; A101-F103 PolarHBondContact O-N 3.49Å; A101-L104 PolarHBondContact O-N 3.18Å; A101-L105 VanDerWaalsContact O-CB 3.25Å; A101-L105 WeakPolarHBondContact O-CB 3.35Å; A101-L105 WeakPolarHBondContact O-CG 3.03Å; A101-L105 PolarHBondContact O-N 3.26Å
102	A	94.7	Very high	93.6	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-63.4	-41.2	177.2	0	0	0	0	0	111.8	L79 I98 S99 I100 L105 Q106 M107 V110 F111	L79-A102 HydrophobicContact CD2-CB 4.46Å; I98-A102 WeakPolarHBondContact O-CB 3.18Å; I98-A102 PolarHBondContact O-N 2.85Å; S99-A102 PolarHBondContact O-N 3.43Å; I100-A102 PolarHBondContact O-N 3.33Å; A102-L105 CarbonylContact O-C 3.56Å; A102-L105 PolarHBondContact O-N 3.32Å; A102-Q106 PolarHBondContact O-N 2.91Å; A102-M107 HydrophobicContact CB-CB 4.15Å; A102-M107 PolarHBondContact O-N 2.98Å; A102-V110 HydrophobicContact CB-CB 4.12Å; A102-V110 HydrophobicContact CB-CG1 3.94Å; A102-F111 HydrophobicContact CB-CB 4.27Å
103	F	92.5	Very high	93.9	Very high	98 Å²	98	50.3 Å²	50.3	43%	0.43	25%	0.253	S	S	.	.	H	α-helix	trans	-63	-49.9	176.2	179.6	-98.9	0	0	0	111.7	S99 I100 A101 L105 Q106 F111 L137	S99-F103 VanDerWaalsContact O-CB 3.32Å; S99-F103 WeakPolarHBondContact O-CB 3.2Å; S99-F103 PolarHBondContact O-N 3.27Å; I100-F103 PolarHBondContact O-N 3.09Å; A101-F103 PolarHBondContact O-N 3.49Å; F103-L105 VanDerWaalsContact C-N 3.31Å; F103-L105 PolarHBondContact O-N 3.45Å; F103-Q106 PolarHBondContact O-N 3.32Å; F103-Q106 VanDerWaalsContact O-N 3.1Å; F103-F111 HydrophobicContact CB-CD2 4.28Å; F103-F111 HydrophobicContact CB-CE2 4.43Å; F103-L137 HydrophobicContact CB-CD1 4.27Å; F103-L137 HydrophobicContact CD1-CD1 3.7Å; F103-L137 HydrophobicContact CD2-CD1 4.47Å; F103-L137 HydrophobicContact CE1-CD1 4.12Å; F103-L137 HydrophobicContact CG-CD1 3.9Å; F103-L137 HydrophobicContact CG-CG 4.47Å
104	L	92.3	Very high	94.1	Very high	67 Å²	67	42.8 Å²	42.8	35%	0.351	21%	0.213	S	C	.	.	H	α-helix	trans	-61.8	-38.9	178.5	-69.6	173.8	0	0	0	112.4	D70 I100 A101 Q106	D70-L104 HydrophobicContact CB-CD1 4.04Å; D70-L104 WeakPolarHBondContact O-CD1 3.38Å; I100-L104 HydrophobicContact CG2-CD1 3.88Å; I100-L104 HydrophobicContact CG2-CG 4.38Å; I100-L104 WeakPolarHBondContact O-CG 3.39Å; I100-L104 PolarHBondContact O-N 2.72Å; A101-L104 PolarHBondContact O-N 3.18Å; L104-Q106 VanDerWaalsContact C-N 3.26Å; L104-Q106 PolarHBondContact O-N 3.21Å
105	L	93.4	Very high	94	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.01	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	5.5	178.5	-60.6	177.5	0	0	0	113.3	S47 Y49 F50 L76 L79 A101 A102 F103 M107	S47-L105 WeakPolarHBondContact CB-O 3.17Å; S47-L105 PolarHBondContact OG-O 2.98Å; Y49-L105 HydrophobicContact CD1-CD2 3.72Å; Y49-L105 HydrophobicContact CE1-CD2 3.99Å; Y49-L105 HydrophobicContact CG-CD2 4.47Å; F50-L105 HydrophobicContact CE1-CD2 4.22Å; F50-L105 HydrophobicContact CE2-CD1 4.08Å; F50-L105 HydrophobicContact CE2-CD2 3.73Å; F50-L105 HydrophobicContact CE2-CG 4.4Å; F50-L105 HydrophobicContact CZ-CD1 4.33Å; F50-L105 HydrophobicContact CZ-CD2 3.5Å; L76-L105 HydrophobicContact CD1-CD1 4.14Å; L79-L105 HydrophobicContact CD1-CD1 3.99Å; A101-L105 VanDerWaalsContact O-CB 3.25Å; A101-L105 WeakPolarHBondContact O-CB 3.35Å; A101-L105 WeakPolarHBondContact O-CG 3.03Å; A101-L105 PolarHBondContact O-N 3.26Å; A102-L105 CarbonylContact O-C 3.56Å; A102-L105 PolarHBondContact O-N 3.32Å; F103-L105 VanDerWaalsContact C-N 3.31Å; F103-L105 PolarHBondContact O-N 3.45Å; L105-M107 VanDerWaalsContact C-N 3.3Å; L105-M107 HydrophobicContact CB-CG 4.13Å; L105-M107 HydrophobicContact CB-SD 4.39Å; L105-M107 PolarHBondContact O-N 3.48Å
106	Q	94.8	Very high	94	Very high	94 Å²	94	49.5 Å²	49.5	44%	0.439	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	38.7	178.6	-58.2	178.9	2.3	0	0	113.7	P48 A102 F103 L104 D108	P48-Q106 HydrophobicContact CB-CB 4.29Å; P48-Q106 WeakPolarHBondContact CD-O 3.38Å; P48-Q106 HydrophobicContact CG-CB 4.26Å; A102-Q106 PolarHBondContact O-N 2.91Å; F103-Q106 PolarHBondContact O-N 3.32Å; F103-Q106 VanDerWaalsContact O-N 3.1Å; L104-Q106 VanDerWaalsContact C-N 3.26Å; L104-Q106 PolarHBondContact O-N 3.21Å; Q106-D108 PolarHBondContact O-N 3.2Å
107	M	95.3	Very high	94	Very high	8 Å²	8	47.7 Å²	47.7	4%	0.039	23%	0.231	C	C	.	.			trans	-94.3	71.6	177.3	-60.5	-176.4	73.8	0	0	110.7	F46 L79 Y82 M83 A102 L105 E109 V110 F111	F46-M107 HydrophobicContact CB-CE 4.44Å; L79-M107 HydrophobicContact CD1-SD 4.21Å; L79-M107 HydrophobicContact CD2-CE 4.48Å; L79-M107 HydrophobicContact CD2-SD 4.12Å; Y82-M107 HydrophobicContact CD1-CE 4.03Å; Y82-M107 HydrophobicContact CE1-CE 4.1Å; M83-M107 HydrophobicContact CE-CE 3.49Å; M83-M107 VanDerWaalsContact CE-CE 3.49Å; M83-M107 HydrophobicContact CE-SD 3.41Å; M83-M107 WeakPolarHBondContact CE-SD 3.01Å; M83-M107 HydrophobicContact CG-CE 4.12Å; A102-M107 HydrophobicContact CB-CB 4.15Å; A102-M107 PolarHBondContact O-N 2.98Å; L105-M107 VanDerWaalsContact C-N 3.3Å; L105-M107 HydrophobicContact CB-CG 4.13Å; L105-M107 HydrophobicContact CB-SD 4.39Å; L105-M107 PolarHBondContact O-N 3.48Å; M107-E109 VanDerWaalsContact C-N 3.33Å; M107-E109 PolarHBondContact O-N 3.4Å; M107-V110 HydrophobicContact CB-CB 4.18Å; M107-V110 HydrophobicContact CB-CG2 4.33Å; M107-V110 HydrophobicContact CE-CG2 3.87Å; M107-V110 PolarHBondContact O-N 3.24Å; M107-V110 VanDerWaalsContact O-N 3.09Å; M107-F111 PolarHBondContact O-N 3.46Å
108	D	93.1	Very high	94.1	Very high	113 Å²	113	47.1 Å²	47.1	60%	0.604	22%	0.224	S	C	*	.	H	α-helix	trans	-57.4	-39	-170	-62.4	-38.6	0	0	0	114.1	Q106 F111 A112	Q106-D108 PolarHBondContact O-N 3.2Å; D108-F111 PolarHBondContact O-N 3.08Å; D108-A112 WeakPolarHBondContact O-CB 3.46Å; D108-A112 PolarHBondContact O-N 3.15Å
109	E	93.6	Very high	93.9	Very high	155 Å²	155	49.6 Å²	49.6	72%	0.724	24%	0.239	S	C	*	.	H	α-helix	trans	-64.9	-41.3	177.9	-68.6	-63.3	138.4	0	0	112.1	M107 A112 R113	M107-E109 VanDerWaalsContact C-N 3.33Å; M107-E109 PolarHBondContact O-N 3.4Å; E109-A112 PolarHBondContact O-N 3.02Å; E109-R113 WeakPolarHBondContact O-CB 3.41Å; E109-R113 PolarHBondContact O-N 2.96Å
110	V	95.3	Very high	93.8	Very high	3 Å²	3	55.9 Å²	55.9	2%	0.018	27%	0.268	C	S	.	.	H	α-helix	trans	-68.5	-42.2	176.6	177.5	0	0	0	0	110	L79 Y82 L88 I98 A102 M107 A112 R113 C114	L79-V110 HydrophobicContact CD2-CB 4.5Å; L79-V110 HydrophobicContact CD2-CG1 3.68Å; Y82-V110 HydrophobicContact CD1-CG2 3.77Å; Y82-V110 HydrophobicContact CE1-CG2 3.31Å; L88-V110 HydrophobicContact CD2-CG1 3.52Å; I98-V110 HydrophobicContact CG2-CG1 4.11Å; A102-V110 HydrophobicContact CB-CB 4.12Å; A102-V110 HydrophobicContact CB-CG1 3.94Å; M107-V110 HydrophobicContact CB-CB 4.18Å; M107-V110 HydrophobicContact CB-CG2 4.33Å; M107-V110 HydrophobicContact CE-CG2 3.87Å; M107-V110 PolarHBondContact O-N 3.24Å; M107-V110 VanDerWaalsContact O-N 3.09Å; V110-A112 VanDerWaalsContact C-N 3.35Å; V110-A112 PolarHBondContact O-N 3.31Å; V110-R113 PolarHBondContact O-N 3.08Å; V110-C114 PolarHBondContact O-N 3.18Å; V110-C114 PolarHBondContact O-SG 3.39Å
111	F	94.4	Very high	93.8	Very high	23 Å²	23	56.1 Å²	56.1	10%	0.101	27%	0.27	C	S	.	.	H	α-helix	trans	-60.7	-43.5	176	-175.9	-113.3	0	0	0	111.8	A102 F103 M107 D108 R113 C114 R115 L137 A139	A102-F111 HydrophobicContact CB-CB 4.27Å; F103-F111 HydrophobicContact CB-CD2 4.28Å; F103-F111 HydrophobicContact CB-CE2 4.43Å; M107-F111 PolarHBondContact O-N 3.46Å; D108-F111 PolarHBondContact O-N 3.08Å; F111-R113 PolarHBondContact O-N 3.06Å; F111-C114 PolarHBondContact O-N 2.77Å; F111-R115 HydrophobicContact CE1-CG 4.16Å; F111-R115 HydrophobicContact CE2-CG 4.42Å; F111-R115 HydrophobicContact CZ-CG 4.1Å; F111-R115 WeakPolarHBondContact O-CG 3.42Å; F111-R115 PolarHBondContact O-N 2.88Å; F111-L137 HydrophobicContact CD2-CD2 4.5Å; F111-L137 HydrophobicContact CE2-CD2 3.33Å; F111-L137 HydrophobicContact CE2-CG 4.48Å; F111-L137 HydrophobicContact CZ-CD2 3.58Å; F111-L137 HydrophobicContact CZ-CG 4.4Å; F111-A139 HydrophobicContact CZ-CB 4.3Å
112	A	93.3	Very high	93.8	Very high	35 Å²	35	57 Å²	57	29%	0.289	28%	0.275	S	S	.	.	H	α-helix	trans	-60	-44	174.2	0	0	0	0	0	112.2	D108 E109 V110 C114 R115 Q116	D108-A112 WeakPolarHBondContact O-CB 3.46Å; D108-A112 PolarHBondContact O-N 3.15Å; E109-A112 PolarHBondContact O-N 3.02Å; V110-A112 VanDerWaalsContact C-N 3.35Å; V110-A112 PolarHBondContact O-N 3.31Å; A112-C114 VanDerWaalsContact C-N 3.34Å; A112-C114 PolarHBondContact O-N 3.31Å; A112-R115 PolarHBondContact O-N 3.32Å; A112-Q116 PolarHBondContact O-N 3.47Å
113	R	94.8	Very high	93.7	Very high	109 Å²	109	59.8 Å²	59.8	41%	0.411	29%	0.29	S	S	.	.	H	α-helix	trans	-64.5	-36.9	177.2	-164.2	-178.8	159.6	-157.6	-15.3	112.5	L88 L90 E109 V110 F111 Q116 H117	L88-R113 PolarHBondContact O-NH2 3.5Å; L90-R113 HydrophobicContact CD1-CG 4.17Å; E109-R113 WeakPolarHBondContact O-CB 3.41Å; E109-R113 PolarHBondContact O-N 2.96Å; V110-R113 PolarHBondContact O-N 3.08Å; F111-R113 PolarHBondContact O-N 3.06Å; R113-Q116 PolarHBondContact O-N 3.31Å; R113-H117 PolarHBondContact O-N 2.97Å
114	C	95	Very high	93.6	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-67.4	-41.7	174.4	-62.1	0	0	0	0	112.1	V95 S99 V110 F111 A112 Q116 H117 M118	V95-C114 HydrophobicContact CG2-CB 3.75Å; S99-C114 WeakPolarHBondContact OG-CB 3.37Å; V110-C114 PolarHBondContact O-N 3.18Å; V110-C114 PolarHBondContact O-SG 3.39Å; F111-C114 PolarHBondContact O-N 2.77Å; A112-C114 VanDerWaalsContact C-N 3.34Å; A112-C114 PolarHBondContact O-N 3.31Å; C114-Q116 VanDerWaalsContact C-N 3.34Å; C114-Q116 PolarHBondContact O-N 3.25Å; C114-H117 PolarHBondContact O-N 3.23Å; C114-M118 HydrophobicContact CB-CE 4.31Å; C114-M118 WeakPolarHBondContact O-CE 3.49Å; C114-M118 PolarHBondContact O-N 3.01Å
115	R	93.3	Very high	93.6	Very high	70 Å²	70	55.8 Å²	55.8	26%	0.264	28%	0.28	S	S	.	.	H	α-helix	trans	-58.8	-44.9	173.7	-71.8	-171.7	-65.6	152.6	0.8	111.9	F111 A112 M118 T119 E141 L142	F111-R115 HydrophobicContact CE1-CG 4.16Å; F111-R115 HydrophobicContact CE2-CG 4.42Å; F111-R115 HydrophobicContact CZ-CG 4.1Å; F111-R115 WeakPolarHBondContact O-CG 3.42Å; F111-R115 PolarHBondContact O-N 2.88Å; A112-R115 PolarHBondContact O-N 3.32Å; R115-M118 PolarHBondContact O-N 3.01Å; R115-T119 PolarHBondContact O-N 2.97Å; R115-T119 PolarHBondContact O-OG1 2.89Å; R115-E141 IonicContact NH1-OE2 3.4Å; R115-E141 PolarHBondContact NH1-OE2 3.47Å; R115-L142 HydrophobicContact CG-CD2 4.34Å
116	Q	93.5	Very high	93.5	Very high	110 Å²	110	57.1 Å²	57.1	51%	0.514	29%	0.287	S	S	.	.	H	α-helix	trans	-60.4	-46.9	175.8	-176.9	176.3	-1.6	0	0	111.5	A112 R113 C114 M118 T119 E120	A112-Q116 PolarHBondContact O-N 3.47Å; R113-Q116 PolarHBondContact O-N 3.31Å; C114-Q116 VanDerWaalsContact C-N 3.34Å; C114-Q116 PolarHBondContact O-N 3.25Å; Q116-M118 PolarHBondContact O-N 3.2Å; Q116-T119 PolarHBondContact O-N 3.4Å; Q116-T119 VanDerWaalsContact O-N 3.1Å; Q116-E120 HydrophobicContact CG-CG 4.37Å; Q116-E120 VanDerWaalsContact CG-OE1 3.3Å; Q116-E120 WeakPolarHBondContact CG-OE1 3.45Å; Q116-E120 PolarHBondContact NE2-OE1 2.95Å; Q116-E120 WeakPolarHBondContact O-CG 3.16Å; Q116-E120 PolarHBondContact O-N 3.42Å
117	H	94.6	Very high	93.5	Very high	34 Å²	34	52.6 Å²	52.6	16%	0.157	27%	0.266	C	S	.	.	H	α-helix	trans	-59.2	-44.2	177.2	-174.4	79.6	0	0	0	112.6	L90 V95 R113 C114 T119 E120 N121	L90-H117 HydrophobicContact CB-CB 4.5Å; L90-H117 HydrophobicContact CD1-CB 3.84Å; V95-H117 HydrophobicContact CG2-CB 4.47Å; R113-H117 PolarHBondContact O-N 2.97Å; C114-H117 PolarHBondContact O-N 3.23Å; H117-T119 VanDerWaalsContact C-N 3.28Å; H117-T119 PolarHBondContact O-N 3.37Å; H117-E120 PolarHBondContact O-N 2.76Å; H117-N121 PolarHBondContact CE1-ND2 3.35Å; H117-N121 PolarHBondContact ND1-ND2 3.05Å; H117-N121 WeakPolarHBondContact O-CB 3.18Å; H117-N121 PolarHBondContact O-N 2.86Å; H117-N121 PolarHBondContact O-ND2 3.36Å
118	M	94.8	Very high	93.4	Very high	6 Å²	6	52.3 Å²	52.3	3%	0.03	27%	0.265	C	S	.	.	H	α-helix	trans	-64.8	-30.7	175.7	-75.2	-177.1	-81.3	0	0	113	V95 Q96 S99 C114 R115 Q116 M122 V130 F133 L142	V95-M118 HydrophobicContact CB-CG 4.48Å; V95-M118 HydrophobicContact CG1-CG 3.77Å; V95-M118 HydrophobicContact CG1-SD 4.25Å; V95-M118 HydrophobicContact CG2-CE 4.24Å; V95-M118 HydrophobicContact CG2-CG 3.83Å; V95-M118 HydrophobicContact CG2-SD 4.38Å; Q96-M118 HydrophobicContact CG-SD 4.47Å; S99-M118 WeakPolarHBondContact OG-CE 3.43Å; C114-M118 HydrophobicContact CB-CE 4.31Å; C114-M118 WeakPolarHBondContact O-CE 3.49Å; C114-M118 PolarHBondContact O-N 3.01Å; R115-M118 PolarHBondContact O-N 3.01Å; Q116-M118 PolarHBondContact O-N 3.2Å; M118-M122 PolarHBondContact O-N 3.19Å; M118-V130 HydrophobicContact CB-CG1 4.35Å; M118-V130 HydrophobicContact SD-CG1 4.45Å; M118-F133 HydrophobicContact CE-CE1 3.85Å; M118-F133 HydrophobicContact SD-CD1 4.08Å; M118-F133 HydrophobicContact SD-CE1 3.95Å; M118-L142 HydrophobicContact CB-CD1 4.21Å; M118-L142 HydrophobicContact CB-CD2 4.34Å; M118-L142 HydrophobicContact CE-CD2 3.75Å; M118-L142 HydrophobicContact SD-CD2 4.02Å
119	T	92.6	Very high	93.3	Very high	52 Å²	52	47.7 Å²	47.7	32%	0.319	24%	0.244	S	C	.	.	H	α-helix	trans	-75.2	-41.6	177.8	-56.1	0	0	0	0	111.1	R115 Q116 H117	R115-T119 PolarHBondContact O-N 2.97Å; R115-T119 PolarHBondContact O-OG1 2.89Å; Q116-T119 PolarHBondContact O-N 3.4Å; Q116-T119 VanDerWaalsContact O-N 3.1Å; H117-T119 VanDerWaalsContact C-N 3.28Å; H117-T119 PolarHBondContact O-N 3.37Å
120	E	92.1	Very high	93.2	Very high	131 Å²	131	40.7 Å²	40.7	61%	0.612	21%	0.212	S	C	*	.	H	α-helix	trans	-73.7	-28.6	-179	-71	173.5	-179	0	0	113.3	Q116 H117	Q116-E120 HydrophobicContact CG-CG 4.37Å; Q116-E120 VanDerWaalsContact CG-OE1 3.3Å; Q116-E120 WeakPolarHBondContact CG-OE1 3.45Å; Q116-E120 PolarHBondContact NE2-OE1 2.95Å; Q116-E120 WeakPolarHBondContact O-CG 3.16Å; Q116-E120 PolarHBondContact O-N 3.42Å; H117-E120 PolarHBondContact O-N 2.76Å
121	N	93.1	Very high	93.2	Very high	68 Å²	68	41.9 Å²	41.9	36%	0.364	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110	23.4	-176.5	-60.1	-80.6	0	0	0	113.3	H117 N126	H117-N121 PolarHBondContact CE1-ND2 3.35Å; H117-N121 PolarHBondContact ND1-ND2 3.05Å; H117-N121 WeakPolarHBondContact O-CB 3.18Å; H117-N121 PolarHBondContact O-N 2.86Å; H117-N121 PolarHBondContact O-ND2 3.36Å; N121-N126 PolarHBondContact O-ND2 2.8Å
122	M	92.9	Very high	93.1	Very high	20 Å²	20	42 Å²	42	10%	0.099	22%	0.217	C	C	.	.			trans	-75.2	131.4	176.5	-167.4	175.5	-63.9	0	0	111.2	M118 N126 C127 V130 L142 A146 F149	M118-M122 PolarHBondContact O-N 3.19Å; M122-N126 WeakPolarHBondContact CA-OD1 3.18Å; M122-C127 HydrophobicContact CG-CB 3.78Å; M122-C127 HydrophobicContact SD-CB 4.09Å; M122-V130 HydrophobicContact CE-CB 4.49Å; M122-V130 HydrophobicContact CE-CG1 3.85Å; M122-L142 HydrophobicContact CE-CD1 4.34Å; M122-A146 HydrophobicContact CE-CB 3.66Å; M122-A146 VanDerWaalsContact SD-CA 3.59Å; M122-A146 HydrophobicContact SD-CB 4.05Å; M122-F149 HydrophobicContact CG-CD1 4.06Å; M122-F149 HydrophobicContact CG-CD2 4.5Å; M122-F149 HydrophobicContact CG-CE1 4.37Å; M122-F149 HydrophobicContact CG-CG 4.14Å; M122-F149 HydrophobicContact SD-CB 3.59Å; M122-F149 VanDerWaalsContact SD-CB 3.59Å; M122-F149 HydrophobicContact SD-CD1 4.05Å; M122-F149 HydrophobicContact SD-CD2 4.32Å; M122-F149 HydrophobicContact SD-CG 3.73Å
123	D	92.6	Very high	93	Very high	58 Å²	58	41.5 Å²	41.5	31%	0.31	21%	0.208	S	C	.	.			trans	-141.8	176.7	177.2	67.9	52	0	0	0	111.7	S125 N126 C127	D123-S125 PolarHBondContact O-N 3.22Å; D123-S125 VanDerWaalsContact OD1-CA 3.3Å; D123-S125 WeakPolarHBondContact OD1-CA 3.22Å; D123-S125 VanDerWaalsContact OD1-CB 3.3Å; D123-S125 WeakPolarHBondContact OD1-CB 3.3Å; D123-S125 PolarHBondContact OD1-N 3.04Å; D123-S125 PolarHBondContact OD1-OG 3.4Å; D123-N126 PolarHBondContact N-OD1 2.75Å; D123-N126 PolarHBondContact O-N 3.43Å; D123-N126 PolarHBondContact O-OD1 2.9Å; D123-N126 PolarHBondContact OD1-N 3Å; D123-N126 VanDerWaalsContact OD1-N 3.16Å; D123-N126 PolarHBondContact OD2-ND2 3.37Å; D123-C127 WeakPolarHBondContact O-CB 3.1Å; D123-C127 PolarHBondContact O-N 2.73Å
124	A	91.6	Very high	93	Very high	16 Å²	16	36.3 Å²	36.3	13%	0.132	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-19.3	-176.7	0	0	0	0	0	114.3	Q156 V157 N160	A124-Q156 HydrophobicContact CB-CB 3.71Å; A124-V157 HydrophobicContact CB-CG2 4.23Å; A124-N160 PolarHBondContact O-ND2 3.23Å
125	S	91.5	Very high	92.9	Very high	64 Å²	64	40.4 Å²	40.4	45%	0.448	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-18	-178.3	74	0	0	0	0	114.1	D123 N160	D123-S125 PolarHBondContact O-N 3.22Å; D123-S125 VanDerWaalsContact OD1-CA 3.3Å; D123-S125 WeakPolarHBondContact OD1-CA 3.22Å; D123-S125 VanDerWaalsContact OD1-CB 3.3Å; D123-S125 WeakPolarHBondContact OD1-CB 3.3Å; D123-S125 PolarHBondContact OD1-N 3.04Å; D123-S125 PolarHBondContact OD1-OG 3.4Å; S125-N160 WeakPolarHBondContact CA-ND2 3.48Å; S125-N160 PolarHBondContact N-ND2 3.28Å
126	N	91.6	Very high	92.8	Very high	30 Å²	30	42.5 Å²	42.5	16%	0.16	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.1	-12.7	-178.5	70.6	23.2	0	0	0	114.2	N121 M122 D123 L128 G129 V130	N121-N126 PolarHBondContact O-ND2 2.8Å; M122-N126 WeakPolarHBondContact CA-OD1 3.18Å; D123-N126 PolarHBondContact N-OD1 2.75Å; D123-N126 PolarHBondContact O-N 3.43Å; D123-N126 PolarHBondContact O-OD1 2.9Å; D123-N126 PolarHBondContact OD1-N 3Å; D123-N126 VanDerWaalsContact OD1-N 3.16Å; D123-N126 PolarHBondContact OD2-ND2 3.37Å; N126-L128 PolarHBondContact O-N 2.89Å; N126-G129 PolarHBondContact O-N 3.22Å; N126-V130 WeakPolarHBondContact O-CG2 3.42Å; N126-V130 PolarHBondContact O-N 2.99Å
127	C	94	Very high	92.6	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-63.8	-27.8	-172	68	0	0	0	0	113.4	M122 D123 Y131 F149 V157	M122-C127 HydrophobicContact CG-CB 3.78Å; M122-C127 HydrophobicContact SD-CB 4.09Å; D123-C127 WeakPolarHBondContact O-CB 3.1Å; D123-C127 PolarHBondContact O-N 2.73Å; C127-Y131 VanDerWaalsContact O-CB 3.3Å; C127-Y131 WeakPolarHBondContact O-CB 3.45Å; C127-Y131 PolarHBondContact O-N 3.5Å; C127-F149 HydrophobicContact CB-CD1 3.61Å; C127-F149 HydrophobicContact CB-CE1 4.03Å; C127-V157 WeakPolarHBondContact SG-CG2 3.3Å
128	L	92.9	Very high	92.4	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.01	22%	0.223	C	C	.	.	H	α-helix	trans	-71.3	-48.8	-179.2	-172.2	72.7	0	0	0	109.8	N126 Y131 F132 L150 E162 V163 L166 L174	N126-L128 PolarHBondContact O-N 2.89Å; L128-Y131 WeakPolarHBondContact O-CB 3.45Å; L128-Y131 PolarHBondContact O-N 3.22Å; L128-F132 HydrophobicContact CD1-CD2 4.25Å; L128-F132 HydrophobicContact CD1-CE2 3.61Å; L128-F132 HydrophobicContact CG-CD2 4.09Å; L128-F132 HydrophobicContact CG-CE2 3.85Å; L128-F132 VanDerWaalsContact O-CD2 3.22Å; L128-F132 WeakPolarHBondContact O-CD2 3.34Å; L128-F132 PolarHBondContact O-N 3.06Å; L128-L150 HydrophobicContact CB-CD1 4.48Å; L128-L150 HydrophobicContact CD1-CD1 3.43Å; L128-L150 VanDerWaalsContact CD1-CD1 3.43Å; L128-E162 HydrophobicContact CB-CG 4.45Å; L128-E162 WeakPolarHBondContact CB-OE2 3.36Å; L128-E162 HydrophobicContact CD2-CB 4.16Å; L128-E162 HydrophobicContact CD2-CG 4.04Å; L128-V163 HydrophobicContact CD2-CB 4.42Å; L128-V163 HydrophobicContact CD2-CG2 3.91Å; L128-L166 HydrophobicContact CD1-CD1 4.17Å; L128-L166 HydrophobicContact CD2-CD1 3.97Å; L128-L166 HydrophobicContact CD2-CD2 3.87Å; L128-L166 HydrophobicContact CD2-CG 3.95Å; L128-L166 HydrophobicContact CG-CD2 4.21Å; L128-L174 HydrophobicContact CD1-CD2 4.42Å
129	G	91.1	Very high	92.2	Very high	16 Å²	16	40 Å²	40	17%	0.165	23%	0.226	C	C	.	.	H	α-helix	trans	-59.3	-46.3	173.8	0	0	0	0	0	111.9	N126 Y131 F132 F133 E162	N126-G129 PolarHBondContact O-N 3.22Å; G129-Y131 VanDerWaalsContact C-N 3.29Å; G129-Y131 PolarHBondContact O-N 2.84Å; G129-F132 PolarHBondContact O-N 3.4Å; G129-F133 WeakPolarHBondContact O-CB 3.39Å; G129-F133 PolarHBondContact O-N 3.44Å; G129-E162 WeakPolarHBondContact CA-OE1 3.3Å; G129-E162 PolarHBondContact N-OE1 3.41Å
130	V	93.4	Very high	92.2	Very high	8 Å²	8	45.1 Å²	45.1	5%	0.048	25%	0.246	C	C	.	.	H	α-helix	trans	-59.9	-39.5	175.6	177.6	0	0	0	0	111.5	M118 M122 N126 A134 L142 A146	M118-V130 HydrophobicContact CB-CG1 4.35Å; M118-V130 HydrophobicContact SD-CG1 4.45Å; M122-V130 HydrophobicContact CE-CB 4.49Å; M122-V130 HydrophobicContact CE-CG1 3.85Å; N126-V130 WeakPolarHBondContact O-CG2 3.42Å; N126-V130 PolarHBondContact O-N 2.99Å; V130-A134 WeakPolarHBondContact O-CB 3.41Å; V130-A134 PolarHBondContact O-N 2.84Å; V130-L142 HydrophobicContact CG1-CD1 4.01Å; V130-L142 HydrophobicContact CG1-CD2 4.17Å; V130-L142 HydrophobicContact CG1-CG 4.06Å; V130-A146 HydrophobicContact CG1-CB 4.21Å
131	Y	94.3	Very high	92.1	Very high	27 Å²	27	45.8 Å²	45.8	11%	0.106	25%	0.249	C	C	.	.	H	α-helix	trans	-62.6	-50.9	177.4	170.4	-110.8	0	0	0	112.7	C127 L128 G129 A134 R135 A143 A146 Q147	C127-Y131 VanDerWaalsContact O-CB 3.3Å; C127-Y131 WeakPolarHBondContact O-CB 3.45Å; C127-Y131 PolarHBondContact O-N 3.5Å; L128-Y131 WeakPolarHBondContact O-CB 3.45Å; L128-Y131 PolarHBondContact O-N 3.22Å; G129-Y131 VanDerWaalsContact C-N 3.29Å; G129-Y131 PolarHBondContact O-N 2.84Å; Y131-A134 PolarHBondContact O-N 3.47Å; Y131-R135 WeakPolarHBondContact O-CB 3.23Å; Y131-R135 PolarHBondContact O-N 2.92Å; Y131-A143 WeakPolarHBondContact CD2-O 3.39Å; Y131-A146 HydrophobicContact CD2-CB 4.46Å; Y131-Q147 HydrophobicContact CD2-CB 3.81Å; Y131-Q147 HydrophobicContact CD2-CG 4.44Å; Y131-Q147 HydrophobicContact CE2-CB 3.66Å; Y131-Q147 HydrophobicContact CE2-CG 3.96Å
132	F	91.7	Very high	92.1	Very high	25 Å²	25	42.7 Å²	42.7	11%	0.11	23%	0.233	C	C	.	.	H	α-helix	trans	-67.5	-43.1	179.9	-74.4	-69.4	0	0	0	111.6	L128 G129 A134 R135 D136 L166 Q170	L128-F132 HydrophobicContact CD1-CD2 4.25Å; L128-F132 HydrophobicContact CD1-CE2 3.61Å; L128-F132 HydrophobicContact CG-CD2 4.09Å; L128-F132 HydrophobicContact CG-CE2 3.85Å; L128-F132 VanDerWaalsContact O-CD2 3.22Å; L128-F132 WeakPolarHBondContact O-CD2 3.34Å; L128-F132 PolarHBondContact O-N 3.06Å; G129-F132 PolarHBondContact O-N 3.4Å; F132-A134 PolarHBondContact O-N 3.49Å; F132-R135 PolarHBondContact O-N 2.82Å; F132-D136 WeakPolarHBondContact O-CB 3.5Å; F132-D136 PolarHBondContact O-N 3.11Å; F132-L166 HydrophobicContact CD2-CD2 3.95Å; F132-L166 HydrophobicContact CE2-CD1 4.35Å; F132-L166 HydrophobicContact CE2-CD2 3.3Å; F132-L166 HydrophobicContact CE2-CG 4.45Å; F132-L166 HydrophobicContact CZ-CD2 3.84Å; F132-Q170 HydrophobicContact CE1-CB 4.1Å; F132-Q170 HydrophobicContact CE1-CG 4.04Å; F132-Q170 HydrophobicContact CZ-CB 3.91Å; F132-Q170 HydrophobicContact CZ-CG 4.32Å
133	F	92.6	Very high	92.2	Very high	25 Å²	25	42.3 Å²	42.3	11%	0.11	23%	0.232	C	C	.	.	H	α-helix	trans	-53.3	-52.5	173.1	170.5	-96.8	0	0	0	112	Q96 I100 M118 G129 R135 D136 L137	Q96-F133 HydrophobicContact CB-CD2 4.14Å; Q96-F133 HydrophobicContact CB-CE2 3.96Å; Q96-F133 HydrophobicContact CB-CZ 4.39Å; Q96-F133 HydrophobicContact CG-CD1 4.43Å; Q96-F133 HydrophobicContact CG-CD2 4.08Å; Q96-F133 HydrophobicContact CG-CE2 4.27Å; Q96-F133 HydrophobicContact CG-CG 4.17Å; I100-F133 HydrophobicContact CD1-CE2 3.97Å; I100-F133 HydrophobicContact CG1-CE2 3.73Å; I100-F133 HydrophobicContact CG1-CZ 4.29Å; M118-F133 HydrophobicContact CE-CE1 3.85Å; M118-F133 HydrophobicContact SD-CD1 4.08Å; M118-F133 HydrophobicContact SD-CE1 3.95Å; G129-F133 WeakPolarHBondContact O-CB 3.39Å; G129-F133 PolarHBondContact O-N 3.44Å; F133-R135 VanDerWaalsContact C-N 3.32Å; F133-R135 PolarHBondContact O-N 3.25Å; F133-D136 PolarHBondContact O-N 3.5Å; F133-L137 HydrophobicContact CE1-CD2 4.06Å; F133-L137 HydrophobicContact CE2-CD2 4.5Å; F133-L137 HydrophobicContact CZ-CD2 3.72Å; F133-L137 WeakPolarHBondContact O-CB 3.24Å; F133-L137 PolarHBondContact O-N 3.39Å
134	A	94.6	Very high	92.1	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-64.5	-38.1	-177.8	0	0	0	0	0	112	V130 Y131 F132 G138 A139 L142 A143	V130-A134 WeakPolarHBondContact O-CB 3.41Å; V130-A134 PolarHBondContact O-N 2.84Å; Y131-A134 PolarHBondContact O-N 3.47Å; F132-A134 PolarHBondContact O-N 3.49Å; A134-G138 PolarHBondContact O-N 2.93Å; A134-G138 VanDerWaalsContact O-N 3.11Å; A134-A139 HydrophobicContact CB-CB 4.3Å; A134-A139 PolarHBondContact O-N 3.49Å; A134-L142 HydrophobicContact CB-CB 3.93Å; A134-L142 HydrophobicContact CB-CD2 3.88Å; A134-L142 HydrophobicContact CB-CG 3.76Å; A134-A143 HydrophobicContact CB-CB 3.78Å
135	R	92.4	Very high	92	Very high	87 Å²	87	46 Å²	46	33%	0.328	25%	0.247	S	C	.	.	H	α-helix	trans	-64.6	-44.1	175.9	-173.9	-163.3	69	-174.7	1.3	111.6	Y131 F132 F133 L137 G138	Y131-R135 WeakPolarHBondContact O-CB 3.23Å; Y131-R135 PolarHBondContact O-N 2.92Å; F132-R135 PolarHBondContact O-N 2.82Å; F133-R135 VanDerWaalsContact C-N 3.32Å; F133-R135 PolarHBondContact O-N 3.25Å; R135-L137 VanDerWaalsContact C-N 3.32Å; R135-G138 PolarHBondContact O-N 3.44Å
136	D	90.7	Very high	92.2	Very high	114 Å²	114	43 Å²	43	61%	0.61	23%	0.226	S	C	*	.	H	α-helix	trans	-72.1	-30.1	-176.3	-64.2	-9.5	0	0	0	111.4	F132 F133 G138	F132-D136 WeakPolarHBondContact O-CB 3.5Å; F132-D136 PolarHBondContact O-N 3.11Å; F133-D136 PolarHBondContact O-N 3.5Å; D136-G138 VanDerWaalsContact C-N 3.33Å
137	L	89.7	Confident	92.2	Very high	34 Å²	34	43.9 Å²	43.9	18%	0.178	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-10.2	172	-163.6	62.6	0	0	0	113.8	F103 F111 F133 R135 A139	F103-L137 HydrophobicContact CB-CD1 4.27Å; F103-L137 HydrophobicContact CD1-CD1 3.7Å; F103-L137 HydrophobicContact CD2-CD1 4.47Å; F103-L137 HydrophobicContact CE1-CD1 4.12Å; F103-L137 HydrophobicContact CG-CD1 3.9Å; F103-L137 HydrophobicContact CG-CG 4.47Å; F111-L137 HydrophobicContact CD2-CD2 4.5Å; F111-L137 HydrophobicContact CE2-CD2 3.33Å; F111-L137 HydrophobicContact CE2-CG 4.48Å; F111-L137 HydrophobicContact CZ-CD2 3.58Å; F111-L137 HydrophobicContact CZ-CG 4.4Å; F133-L137 HydrophobicContact CE1-CD2 4.06Å; F133-L137 HydrophobicContact CE2-CD2 4.5Å; F133-L137 HydrophobicContact CZ-CD2 3.72Å; F133-L137 WeakPolarHBondContact O-CB 3.24Å; F133-L137 PolarHBondContact O-N 3.39Å; R135-L137 VanDerWaalsContact C-N 3.32Å; L137-A139 VanDerWaalsContact C-N 3.31Å
138	G	90.2	Very high	92	Very high	53 Å²	53	50.2 Å²	50.2	55%	0.546	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.6	19.1	-174.8	0	0	0	0	0	114.3	A134 R135 D136 E140	A134-G138 PolarHBondContact O-N 2.93Å; A134-G138 VanDerWaalsContact O-N 3.11Å; R135-G138 PolarHBondContact O-N 3.44Å; D136-G138 VanDerWaalsContact C-N 3.33Å; G138-E140 VanDerWaalsContact C-N 3.3Å; G138-E140 PolarHBondContact O-N 2.84Å
139	A	91.1	Very high	91.9	Very high	11 Å²	11	52 Å²	52	9%	0.091	26%	0.261	C	S	.	.			trans	-79.8	75.1	175.3	0	0	0	0	0	110.7	F111 A134 L137 E141 L142 A143	F111-A139 HydrophobicContact CZ-CB 4.3Å; A134-A139 HydrophobicContact CB-CB 4.3Å; A134-A139 PolarHBondContact O-N 3.49Å; L137-A139 VanDerWaalsContact C-N 3.31Å; A139-E141 PolarHBondContact O-N 2.95Å; A139-L142 HydrophobicContact CB-CB 4.29Å; A139-L142 PolarHBondContact O-N 3.48Å; A139-A143 PolarHBondContact O-N 3.1Å
140	E	91.9	Very high	91.9	Very high	159 Å²	159	51.3 Å²	51.3	74%	0.743	25%	0.253	S	S	*	.	H	α-helix	trans	-53.9	-45.3	-171.7	-64.9	-173.3	169.8	0	0	113.4	G138 L142 A143 D144	G138-E140 VanDerWaalsContact C-N 3.3Å; G138-E140 PolarHBondContact O-N 2.84Å; E140-L142 PolarHBondContact O-N 2.83Å; E140-A143 PolarHBondContact O-N 3.44Å; E140-D144 VanDerWaalsContact O-CB 3.31Å; E140-D144 WeakPolarHBondContact O-CB 3.44Å; E140-D144 PolarHBondContact O-N 2.97Å
141	E	90.7	Very high	91.8	Very high	144 Å²	144	54 Å²	54	67%	0.673	26%	0.263	S	S	*	.	H	α-helix	trans	-60.7	-42.7	-179.5	-65.4	179.4	154.7	0	0	112.9	R115 A139 H145	R115-E141 IonicContact NH1-OE2 3.4Å; R115-E141 PolarHBondContact NH1-OE2 3.47Å; A139-E141 PolarHBondContact O-N 2.95Å; E141-H145 WeakPolarHBondContact O-CB 3.35Å; E141-H145 PolarHBondContact O-N 2.91Å
142	L	93.3	Very high	91.4	Very high	4 Å²	4	55.3 Å²	55.3	2%	0.021	27%	0.27	C	S	.	.	H	α-helix	trans	-71.7	-40.7	179.3	179.6	62.7	0	0	0	110.6	R115 M118 M122 V130 A134 A139 E140 D144 H145 A146	R115-L142 HydrophobicContact CG-CD2 4.34Å; M118-L142 HydrophobicContact CB-CD1 4.21Å; M118-L142 HydrophobicContact CB-CD2 4.34Å; M118-L142 HydrophobicContact CE-CD2 3.75Å; M118-L142 HydrophobicContact SD-CD2 4.02Å; M122-L142 HydrophobicContact CE-CD1 4.34Å; V130-L142 HydrophobicContact CG1-CD1 4.01Å; V130-L142 HydrophobicContact CG1-CD2 4.17Å; V130-L142 HydrophobicContact CG1-CG 4.06Å; A134-L142 HydrophobicContact CB-CB 3.93Å; A134-L142 HydrophobicContact CB-CD2 3.88Å; A134-L142 HydrophobicContact CB-CG 3.76Å; A139-L142 HydrophobicContact CB-CB 4.29Å; A139-L142 PolarHBondContact O-N 3.48Å; E140-L142 PolarHBondContact O-N 2.83Å; L142-D144 VanDerWaalsContact C-N 3.34Å; L142-D144 PolarHBondContact O-N 3.01Å; L142-H145 PolarHBondContact O-N 3.35Å; L142-A146 WeakPolarHBondContact O-CB 3.32Å; L142-A146 PolarHBondContact O-N 3.26Å
143	A	93.6	Very high	91.4	Very high	11 Å²	11	56.2 Å²	56.2	9%	0.091	28%	0.275	C	S	.	.	H	α-helix	trans	-62.4	-43	176.8	0	0	0	0	0	111.3	Y131 A134 A139 E140 A146 Q147	Y131-A143 WeakPolarHBondContact CD2-O 3.39Å; A134-A143 HydrophobicContact CB-CB 3.78Å; A139-A143 PolarHBondContact O-N 3.1Å; E140-A143 PolarHBondContact O-N 3.44Å; A143-A146 PolarHBondContact O-N 3.46Å; A143-Q147 VanDerWaalsContact O-CB 3.24Å; A143-Q147 WeakPolarHBondContact O-CB 3.25Å; A143-Q147 PolarHBondContact O-N 3.43Å
144	D	90.9	Very high	91.3	Very high	71 Å²	71	55.1 Å²	55.1	38%	0.38	27%	0.269	S	S	.	.	H	α-helix	trans	-61.2	-44.4	175	-104	25.1	0	0	0	112	E140 L142 Q147 R148	E140-D144 VanDerWaalsContact O-CB 3.31Å; E140-D144 WeakPolarHBondContact O-CB 3.44Å; E140-D144 PolarHBondContact O-N 2.97Å; L142-D144 VanDerWaalsContact C-N 3.34Å; L142-D144 PolarHBondContact O-N 3.01Å; D144-Q147 PolarHBondContact O-N 3.12Å; D144-R148 WeakPolarHBondContact O-CG 3.18Å; D144-R148 PolarHBondContact O-N 3Å; D144-R148 IonicContact OD2-CZ 3.81Å; D144-R148 IonicContact OD2-NH1 2.83Å; D144-R148 IonicContact OD2-NH2 2.79Å; D144-R148 PolarHBondContact OD2-NH2 3.02Å
145	H	90.6	Very high	91.2	Very high	81 Å²	81	57.8 Å²	57.8	38%	0.375	29%	0.286	S	S	.	.	H	α-helix	trans	-64.2	-49.1	177.7	-162.8	90.4	0	0	0	111.3	E141 L142 Q147 R148 F149	E141-H145 WeakPolarHBondContact O-CB 3.35Å; E141-H145 PolarHBondContact O-N 2.91Å; L142-H145 PolarHBondContact O-N 3.35Å; H145-Q147 VanDerWaalsContact C-N 3.31Å; H145-Q147 PolarHBondContact O-N 2.73Å; H145-R148 PolarHBondContact O-N 3.34Å; H145-F149 PolarHBondContact O-N 3.46Å
146	A	93.9	Very high	91.1	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-60.5	-39.7	177.2	0	0	0	0	0	112.3	M122 V130 Y131 L142 A143 F149 L150	M122-A146 HydrophobicContact CE-CB 3.66Å; M122-A146 VanDerWaalsContact SD-CA 3.59Å; M122-A146 HydrophobicContact SD-CB 4.05Å; V130-A146 HydrophobicContact CG1-CB 4.21Å; Y131-A146 HydrophobicContact CD2-CB 4.46Å; L142-A146 WeakPolarHBondContact O-CB 3.32Å; L142-A146 PolarHBondContact O-N 3.26Å; A143-A146 PolarHBondContact O-N 3.46Å; A146-F149 PolarHBondContact O-N 3.26Å; A146-L150 VanDerWaalsContact O-CB 3.22Å; A146-L150 WeakPolarHBondContact O-CB 3.49Å; A146-L150 PolarHBondContact O-N 3.33Å
147	Q	92.4	Very high	91.2	Very high	50 Å²	50	53.1 Å²	53.1	23%	0.234	26%	0.264	C	S	.	.	H	α-helix	trans	-65.4	-41.5	176.8	-167.7	178.1	42.2	0	0	112.3	Y131 A143 D144 H145 R151	Y131-Q147 HydrophobicContact CD2-CB 3.81Å; Y131-Q147 HydrophobicContact CD2-CG 4.44Å; Y131-Q147 HydrophobicContact CE2-CB 3.66Å; Y131-Q147 HydrophobicContact CE2-CG 3.96Å; A143-Q147 VanDerWaalsContact O-CB 3.24Å; A143-Q147 WeakPolarHBondContact O-CB 3.25Å; A143-Q147 PolarHBondContact O-N 3.43Å; D144-Q147 PolarHBondContact O-N 3.12Å; H145-Q147 VanDerWaalsContact C-N 3.31Å; H145-Q147 PolarHBondContact O-N 2.73Å; Q147-R151 VanDerWaalsContact O-CG 3.23Å; Q147-R151 WeakPolarHBondContact O-CG 3.38Å; Q147-R151 PolarHBondContact O-N 3.38Å
148	R	89.6	Confident	91.2	Very high	132 Å²	132	52 Å²	52	50%	0.498	26%	0.259	S	S	.	.	H	α-helix	trans	-63.6	-46.5	176.5	-72.8	179.8	-165.6	103.7	11.4	110.8	D144 H145 R151 Q152	D144-R148 WeakPolarHBondContact O-CG 3.18Å; D144-R148 PolarHBondContact O-N 3Å; D144-R148 IonicContact OD2-CZ 3.81Å; D144-R148 IonicContact OD2-NH1 2.83Å; D144-R148 IonicContact OD2-NH2 2.79Å; D144-R148 PolarHBondContact OD2-NH2 3.02Å; H145-R148 PolarHBondContact O-N 3.34Å; R148-R151 PolarHBondContact O-N 2.86Å; R148-Q152 VanDerWaalsContact O-CG 3.32Å; R148-Q152 WeakPolarHBondContact O-CG 3.2Å; R148-Q152 PolarHBondContact O-N 3.45Å; R148-Q152 VanDerWaalsContact O-N 3.08Å
149	F	90.6	Very high	91.2	Very high	40 Å²	40	55.7 Å²	55.7	18%	0.175	26%	0.262	C	S	.	.	H	α-helix	trans	-58.5	-49.5	176.6	-173.9	-84.7	0	0	0	111.3	M122 C127 H145 A146 R151 Q152 H153	M122-F149 HydrophobicContact CG-CD1 4.06Å; M122-F149 HydrophobicContact CG-CD2 4.5Å; M122-F149 HydrophobicContact CG-CE1 4.37Å; M122-F149 HydrophobicContact CG-CG 4.14Å; M122-F149 HydrophobicContact SD-CB 3.59Å; M122-F149 VanDerWaalsContact SD-CB 3.59Å; M122-F149 HydrophobicContact SD-CD1 4.05Å; M122-F149 HydrophobicContact SD-CD2 4.32Å; M122-F149 HydrophobicContact SD-CG 3.73Å; C127-F149 HydrophobicContact CB-CD1 3.61Å; C127-F149 HydrophobicContact CB-CE1 4.03Å; H145-F149 PolarHBondContact O-N 3.46Å; A146-F149 PolarHBondContact O-N 3.26Å; F149-R151 VanDerWaalsContact C-N 3.33Å; F149-R151 PolarHBondContact O-N 3.43Å; F149-Q152 PolarHBondContact O-N 2.81Å; F149-Q152 VanDerWaalsContact O-N 3.13Å; F149-H153 AromaticContact CD2-CD2 3.75Å; F149-H153 HydrophobicContact CE1-CB 4.15Å; F149-H153 AromaticContact CE1-CD2 3.84Å; F149-H153 AromaticContact CE2-CD2 3.56Å; F149-H153 AromaticContact CE2-NE2 3.77Å; F149-H153 AromaticContact CG-CD2 3.97Å; F149-H153 AromaticContact CZ-CD2 3.6Å; F149-H153 PolarHBondContact O-CD2 3.39Å; F149-H153 PolarHBondContact O-N 2.73Å
150	L	92.2	Very high	91.2	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-56.6	-45.5	178.3	-177.1	159.6	0	0	0	111.8	L128 A146 Q152 F154 L174	L128-L150 HydrophobicContact CB-CD1 4.48Å; L128-L150 HydrophobicContact CD1-CD1 3.43Å; L128-L150 VanDerWaalsContact CD1-CD1 3.43Å; A146-L150 VanDerWaalsContact O-CB 3.22Å; A146-L150 WeakPolarHBondContact O-CB 3.49Å; A146-L150 PolarHBondContact O-N 3.33Å; L150-Q152 VanDerWaalsContact C-N 3.33Å; L150-Q152 PolarHBondContact O-N 2.57Å; L150-F154 HydrophobicContact CD2-CD2 3.9Å; L150-F154 HydrophobicContact CD2-CE2 4.42Å; L150-F154 WeakPolarHBondContact O-CA 3.39Å; L150-F154 WeakPolarHBondContact O-CB 3.21Å; L150-F154 PolarHBondContact O-N 3.17Å; L150-L174 HydrophobicContact CD1-CD1 4.36Å; L150-L174 HydrophobicContact CD2-CD1 3.32Å; L150-L174 HydrophobicContact CD2-CD2 4.27Å; L150-L174 HydrophobicContact CD2-CG 4.31Å
151	R	90.5	Very high	90.9	Very high	64 Å²	64	57.2 Å²	57.2	24%	0.242	27%	0.269	C	S	.	.	H	α-helix	trans	-64.1	-38.1	179.2	-72	171.6	-175.6	-162	7.7	112	Q147 R148 F149 D179 L180 N181	Q147-R151 VanDerWaalsContact O-CG 3.23Å; Q147-R151 WeakPolarHBondContact O-CG 3.38Å; Q147-R151 PolarHBondContact O-N 3.38Å; R148-R151 PolarHBondContact O-N 2.86Å; F149-R151 VanDerWaalsContact C-N 3.33Å; F149-R151 PolarHBondContact O-N 3.43Å; R151-D179 IonicContact CZ-OD2 3.49Å; R151-D179 IonicContact NH1-OD2 2.7Å; R151-D179 PolarHBondContact NH1-OD2 3.29Å; R151-L180 HydrophobicContact CG-CD2 4.15Å; R151-N181 WeakPolarHBondContact O-CB 3.03Å; R151-N181 PolarHBondContact O-N 3.39Å
152	Q	87	Confident	90.7	Very high	56 Å²	56	52.7 Å²	52.7	26%	0.262	25%	0.248	S	C	.	.	H	α-helix	trans	-72.3	-40.8	-179.8	-73.1	173.9	-1.5	0	0	112.8	R148 F149 L150 N181	R148-Q152 VanDerWaalsContact O-CG 3.32Å; R148-Q152 WeakPolarHBondContact O-CG 3.2Å; R148-Q152 PolarHBondContact O-N 3.45Å; R148-Q152 VanDerWaalsContact O-N 3.08Å; F149-Q152 PolarHBondContact O-N 2.81Å; F149-Q152 VanDerWaalsContact O-N 3.13Å; L150-Q152 VanDerWaalsContact C-N 3.33Å; L150-Q152 PolarHBondContact O-N 2.57Å; Q152-N181 WeakPolarHBondContact O-CB 3.24Å; Q152-N181 PolarHBondContact O-ND2 3.34Å
153	H	90	Very high	90.4	Very high	44 Å²	44	52.6 Å²	52.6	20%	0.204	25%	0.247	C	C	.	.	S	Bend	trans	-101	18.6	-177.3	-63.8	-79.9	0	0	0	113	F149 V155 Q156 V157	F149-H153 AromaticContact CD2-CD2 3.75Å; F149-H153 HydrophobicContact CE1-CB 4.15Å; F149-H153 AromaticContact CE1-CD2 3.84Å; F149-H153 AromaticContact CE2-CD2 3.56Å; F149-H153 AromaticContact CE2-NE2 3.77Å; F149-H153 AromaticContact CG-CD2 3.97Å; F149-H153 AromaticContact CZ-CD2 3.6Å; F149-H153 PolarHBondContact O-CD2 3.39Å; F149-H153 PolarHBondContact O-N 2.73Å; H153-V155 PolarHBondContact O-N 3.17Å; H153-Q156 PolarHBondContact ND1-OE1 3.34Å; H153-Q156 WeakPolarHBondContact O-CA 3.48Å; H153-Q156 WeakPolarHBondContact O-CB 3.44Å; H153-Q156 PolarHBondContact O-N 2.96Å; H153-V157 HydrophobicContact CB-CG2 4.46Å; H153-V157 WeakPolarHBondContact O-CG2 3.46Å; H153-V157 PolarHBondContact O-N 3.23Å
154	F	92.1	Very high	90.1	Very high	1 Å²	1	52.8 Å²	52.8	0%	0.004	25%	0.247	C	C	.	.	H	α-helix	trans	-52.1	-40	-169.5	-173	-99.4	0	0	0	113.8	L150 Q156 V157 C158 L174 L175 L180 V182 I188	L150-F154 HydrophobicContact CD2-CD2 3.9Å; L150-F154 HydrophobicContact CD2-CE2 4.42Å; L150-F154 WeakPolarHBondContact O-CA 3.39Å; L150-F154 WeakPolarHBondContact O-CB 3.21Å; L150-F154 PolarHBondContact O-N 3.17Å; F154-Q156 VanDerWaalsContact C-N 3.3Å; F154-Q156 PolarHBondContact O-N 3.04Å; F154-V157 PolarHBondContact O-N 3.16Å; F154-C158 WeakPolarHBondContact CE1-SG 3.2Å; F154-C158 WeakPolarHBondContact CZ-SG 3.43Å; F154-C158 WeakPolarHBondContact O-CB 3.41Å; F154-C158 PolarHBondContact O-N 2.87Å; F154-C158 PolarHBondContact O-SG 3Å; F154-L174 HydrophobicContact CE2-CD1 4.43Å; F154-L174 HydrophobicContact CE2-CD2 3.75Å; F154-L174 HydrophobicContact CE2-CG 3.91Å; F154-L175 HydrophobicContact CE1-CD2 4.43Å; F154-L175 HydrophobicContact CZ-CD2 3.66Å; F154-L180 HydrophobicContact CD1-CB 4.36Å; F154-L180 HydrophobicContact CD1-CD1 4.19Å; F154-L180 HydrophobicContact CD2-CD1 4.23Å; F154-L180 HydrophobicContact CD2-CD2 3.81Å; F154-L180 HydrophobicContact CD2-CG 4.48Å; F154-L180 HydrophobicContact CE1-CD1 3.89Å; F154-L180 HydrophobicContact CE2-CD1 3.94Å; F154-L180 HydrophobicContact CE2-CD2 4.12Å; F154-L180 HydrophobicContact CG-CB 4.29Å; F154-L180 HydrophobicContact CG-CD1 4.34Å; F154-L180 HydrophobicContact CG-CD2 4.18Å; F154-L180 HydrophobicContact CZ-CD1 3.76Å; F154-V182 HydrophobicContact CB-CG2 4.49Å; F154-V182 HydrophobicContact CD1-CG2 3.46Å; F154-V182 VanDerWaalsContact CD1-CG2 3.46Å; F154-V182 HydrophobicContact CE1-CG2 4.13Å; F154-V182 HydrophobicContact CG-CG2 4.33Å; F154-I188 HydrophobicContact CD1-CD1 4.35Å; F154-I188 HydrophobicContact CE1-CD1 3.6Å; F154-I188 HydrophobicContact CZ-CD1 4.35Å
155	V	91.1	Very high	89.9	Confident	56 Å²	56	56.6 Å²	56.6	34%	0.339	26%	0.262	S	S	.	.	H	α-helix	trans	-59.9	-39.7	177.6	179.8	0	0	0	0	112.1	H153 Q159 V182	H153-V155 PolarHBondContact O-N 3.17Å; V155-Q159 WeakPolarHBondContact O-CG 3.37Å; V155-V182 HydrophobicContact CG2-CG1 4.47Å; V155-V182 HydrophobicContact CG2-CG2 4.48Å
156	Q	91.4	Very high	89.8	Confident	103 Å²	103	53.3 Å²	53.3	48%	0.481	25%	0.247	S	C	.	.	H	α-helix	trans	-74.2	-43	178.2	-62.7	171.5	-3.3	0	0	110.6	A124 H153 F154 C158 Q159 N160	A124-Q156 HydrophobicContact CB-CB 3.71Å; H153-Q156 PolarHBondContact ND1-OE1 3.34Å; H153-Q156 WeakPolarHBondContact O-CA 3.48Å; H153-Q156 WeakPolarHBondContact O-CB 3.44Å; H153-Q156 PolarHBondContact O-N 2.96Å; F154-Q156 VanDerWaalsContact C-N 3.3Å; F154-Q156 PolarHBondContact O-N 3.04Å; Q156-C158 VanDerWaalsContact C-N 3.26Å; Q156-C158 PolarHBondContact O-N 2.94Å; Q156-Q159 WeakPolarHBondContact O-CB 3.47Å; Q156-Q159 PolarHBondContact O-N 3.28Å; Q156-N160 PolarHBondContact O-ND2 2.99Å
157	V	92.3	Very high	89.6	Confident	1 Å²	1	58.8 Å²	58.8	1%	0.006	27%	0.273	C	S	.	.	H	α-helix	trans	-57.5	-41.6	177.8	179.1	0	0	0	0	111.2	A124 C127 H153 F154 Q159 N160 V163	A124-V157 HydrophobicContact CB-CG2 4.23Å; C127-V157 WeakPolarHBondContact SG-CG2 3.3Å; H153-V157 HydrophobicContact CB-CG2 4.46Å; H153-V157 WeakPolarHBondContact O-CG2 3.46Å; H153-V157 PolarHBondContact O-N 3.23Å; F154-V157 PolarHBondContact O-N 3.16Å; V157-Q159 PolarHBondContact O-N 2.99Å; V157-Q159 VanDerWaalsContact O-N 3.15Å; V157-N160 PolarHBondContact O-N 3.01Å; V157-N160 VanDerWaalsContact O-N 3.08Å; V157-V163 HydrophobicContact CG1-CG2 3.86Å; V157-V163 WeakPolarHBondContact O-CG2 3.3Å
158	C	89.8	Confident	89.3	Confident	9 Å²	9	57.3 Å²	57.3	6%	0.061	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-17.9	178.1	-72.5	0	0	0	0	114.9	F154 Q156 V191 R194	F154-C158 WeakPolarHBondContact CE1-SG 3.2Å; F154-C158 WeakPolarHBondContact CZ-SG 3.43Å; F154-C158 WeakPolarHBondContact O-CB 3.41Å; F154-C158 PolarHBondContact O-N 2.87Å; F154-C158 PolarHBondContact O-SG 3Å; Q156-C158 VanDerWaalsContact C-N 3.26Å; Q156-C158 PolarHBondContact O-N 2.94Å; C158-V191 HydrophobicContact CB-CG2 3.49Å; C158-V191 VanDerWaalsContact CB-CG2 3.49Å; C158-V191 WeakPolarHBondContact SG-CG2 3.15Å; C158-R194 PolarHBondContact O-NH1 3.23Å
159	Q	89.7	Confident	89.4	Confident	131 Å²	131	56.6 Å²	56.6	61%	0.612	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-27.4	176.6	-64.9	172	4.9	0	0	111.2	V155 Q156 V157 R194	V155-Q159 WeakPolarHBondContact O-CG 3.37Å; Q156-Q159 WeakPolarHBondContact O-CB 3.47Å; Q156-Q159 PolarHBondContact O-N 3.28Å; V157-Q159 PolarHBondContact O-N 2.99Å; V157-Q159 VanDerWaalsContact O-N 3.15Å; Q159-R194 PolarHBondContact O-NH1 3.22Å; Q159-R194 PolarHBondContact O-NH2 3.3Å
160	N	90.6	Very high	89.4	Confident	52 Å²	52	56.2 Å²	56.2	28%	0.278	27%	0.27	S	S	.	.	S	Bend	trans	-78	151.7	-178.1	-63.6	-49.8	0	0	0	112.9	A124 S125 Q156 V157 E162 R194	A124-N160 PolarHBondContact O-ND2 3.23Å; S125-N160 WeakPolarHBondContact CA-ND2 3.48Å; S125-N160 PolarHBondContact N-ND2 3.28Å; Q156-N160 PolarHBondContact O-ND2 2.99Å; V157-N160 PolarHBondContact O-N 3.01Å; V157-N160 VanDerWaalsContact O-N 3.08Å; N160-E162 VanDerWaalsContact C-N 3.3Å; N160-E162 PolarHBondContact O-N 3.44Å; N160-R194 VanDerWaalsContact C-NH2 3.28Å; N160-R194 PolarHBondContact O-NH2 3.4Å
161	E	86.2	Confident	89.3	Confident	150 Å²	150	56.2 Å²	56.2	70%	0.701	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-70.7	-23.8	-175.2	-65	-169.7	164.1	0	0	113.4	V163 L164	E161-V163 PolarHBondContact O-N 3.35Å; E161-V163 VanDerWaalsContact O-N 3.11Å; E161-L164 WeakPolarHBondContact O-CA 3.2Å; E161-L164 WeakPolarHBondContact O-CB 3.37Å; E161-L164 WeakPolarHBondContact O-CG 3.44Å; E161-L164 PolarHBondContact O-N 3.12Å
162	E	86.3	Confident	89.3	Confident	49 Å²	49	53.6 Å²	53.6	23%	0.229	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-55.1	-33.4	-179.2	-155.7	-174.9	-172.9	0	0	113	L128 G129 N160 L164 E165	L128-E162 HydrophobicContact CB-CG 4.45Å; L128-E162 WeakPolarHBondContact CB-OE2 3.36Å; L128-E162 HydrophobicContact CD2-CB 4.16Å; L128-E162 HydrophobicContact CD2-CG 4.04Å; G129-E162 WeakPolarHBondContact CA-OE1 3.3Å; G129-E162 PolarHBondContact N-OE1 3.41Å; N160-E162 VanDerWaalsContact C-N 3.3Å; N160-E162 PolarHBondContact O-N 3.44Å; E162-L164 PolarHBondContact O-N 3.49Å; E162-E165 WeakPolarHBondContact O-CB 3.28Å; E162-E165 PolarHBondContact O-N 3.35Å; E162-E165 VanDerWaalsContact O-N 3.12Å
163	V	88	Confident	89.5	Confident	3 Å²	3	57.5 Å²	57.5	2%	0.018	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-62.7	-27	175.7	177	0	0	0	0	112.1	L128 V157 E161 E165 L171 V191	L128-V163 HydrophobicContact CD2-CB 4.42Å; L128-V163 HydrophobicContact CD2-CG2 3.91Å; V157-V163 HydrophobicContact CG1-CG2 3.86Å; V157-V163 WeakPolarHBondContact O-CG2 3.3Å; E161-V163 PolarHBondContact O-N 3.35Å; E161-V163 VanDerWaalsContact O-N 3.11Å; V163-E165 VanDerWaalsContact C-N 3.31Å; V163-L171 HydrophobicContact CG1-CD1 4.22Å; V163-V191 HydrophobicContact CG1-CG1 3.96Å
164	L	87.3	Confident	89.6	Confident	15 Å²	15	56.5 Å²	56.5	8%	0.079	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-79.5	-15	180	-51.3	176.8	0	0	0	113.1	E161 E162 R194 W195 N198	E161-L164 WeakPolarHBondContact O-CA 3.2Å; E161-L164 WeakPolarHBondContact O-CB 3.37Å; E161-L164 WeakPolarHBondContact O-CG 3.44Å; E161-L164 PolarHBondContact O-N 3.12Å; E162-L164 PolarHBondContact O-N 3.49Å; L164-R194 HydrophobicContact CD1-CG 4.42Å; L164-R194 HydrophobicContact CD2-CB 4.25Å; L164-R194 HydrophobicContact CD2-CG 3.86Å; L164-W195 HydrophobicContact CD2-CB 4.24Å; L164-N198 HydrophobicContact CB-CB 4.36Å; L164-N198 WeakPolarHBondContact CB-ND2 3.44Å; L164-N198 HydrophobicContact CD1-CB 4.42Å
165	E	86.6	Confident	89.6	Confident	151 Å²	151	56.4 Å²	56.4	71%	0.706	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-84	-14.9	177.6	-58.1	-174.1	165.7	0	0	112.3	E162 V163	E162-E165 WeakPolarHBondContact O-CB 3.28Å; E162-E165 PolarHBondContact O-N 3.35Å; E162-E165 VanDerWaalsContact O-N 3.12Å; V163-E165 VanDerWaalsContact C-N 3.31Å
166	L	88.5	Confident	89.6	Confident	11 Å²	11	56.4 Å²	56.4	6%	0.058	28%	0.277	C	S	.	.	S	Bend	trans	-63.3	147.1	-179.8	-62.3	-176.5	0	0	0	113.1	L128 F132 Q170 L171 W195	L128-L166 HydrophobicContact CD1-CD1 4.17Å; L128-L166 HydrophobicContact CD2-CD1 3.97Å; L128-L166 HydrophobicContact CD2-CD2 3.87Å; L128-L166 HydrophobicContact CD2-CG 3.95Å; L128-L166 HydrophobicContact CG-CD2 4.21Å; F132-L166 HydrophobicContact CD2-CD2 3.95Å; F132-L166 HydrophobicContact CE2-CD1 4.35Å; F132-L166 HydrophobicContact CE2-CD2 3.3Å; F132-L166 HydrophobicContact CE2-CG 4.45Å; F132-L166 HydrophobicContact CZ-CD2 3.84Å; L166-Q170 HydrophobicContact CB-CB 4.44Å; L166-L171 HydrophobicContact CB-CB 4.45Å; L166-L171 HydrophobicContact CD1-CB 4.47Å; L166-L171 HydrophobicContact CD1-CD1 4.41Å; L166-W195 PolarHBondContact O-NE1 3.37Å
167	E	88.5	Confident	89.6	Confident	116 Å²	116	52.6 Å²	52.6	54%	0.542	26%	0.261	S	S	.	.			trans	-71.3	152.7	166.9	-65.2	-174.9	-152.9	0	0	111.7	H169 Q170 L171	E167-H169 WeakPolarHBondContact CB-ND1 3.39Å; E167-H169 PolarHBondContact O-N 3.31Å; E167-H169 VanDerWaalsContact O-N 3.12Å; E167-H169 IonicContact OE2-CE1 2.91Å; E167-H169 PolarHBondContact OE2-CE1 2.99Å; E167-H169 IonicContact OE2-ND1 3.69Å; E167-H169 PolarHBondContact OE2-ND1 3.32Å; E167-Q170 HydrophobicContact CB-CG 4.22Å; E167-Q170 WeakPolarHBondContact O-CB 3.46Å; E167-Q170 PolarHBondContact O-N 2.84Å; E167-L171 PolarHBondContact O-N 2.97Å
168	A	88.2	Confident	89.4	Confident	18 Å²	18	54.7 Å²	54.7	15%	0.149	27%	0.273	C	S	.	.	H	α-helix	trans	-53.3	-39.1	-178.5	0	0	0	0	0	113	G172 W195 H210	A168-G172 PolarHBondContact O-N 3.16Å; A168-W195 HydrophobicContact CB-CH2 3.71Å; A168-W195 HydrophobicContact CB-CZ2 4.12Å; A168-H210 HydrophobicContact CB-CB 3.75Å
169	H	89.8	Confident	89.3	Confident	117 Å²	117	57.6 Å²	57.6	54%	0.542	29%	0.288	S	S	.	.	H	α-helix	trans	-69.4	-36.5	-179.4	80.6	-90.2	0	0	0	112.3	E167 K173	E167-H169 WeakPolarHBondContact CB-ND1 3.39Å; E167-H169 PolarHBondContact O-N 3.31Å; E167-H169 VanDerWaalsContact O-N 3.12Å; E167-H169 IonicContact OE2-CE1 2.91Å; E167-H169 PolarHBondContact OE2-CE1 2.99Å; E167-H169 IonicContact OE2-ND1 3.69Å; E167-H169 PolarHBondContact OE2-ND1 3.32Å; H169-K173 WeakPolarHBondContact O-CB 3.36Å; H169-K173 PolarHBondContact O-N 3.32Å
170	Q	90.7	Very high	89.4	Confident	33 Å²	33	51.4 Å²	51.4	15%	0.154	26%	0.259	C	S	.	.	H	α-helix	trans	-70	-47.5	178.3	-62.4	177.7	-25.3	0	0	110.4	F132 L166 E167 K173 L174	F132-Q170 HydrophobicContact CE1-CB 4.1Å; F132-Q170 HydrophobicContact CE1-CG 4.04Å; F132-Q170 HydrophobicContact CZ-CB 3.91Å; F132-Q170 HydrophobicContact CZ-CG 4.32Å; L166-Q170 HydrophobicContact CB-CB 4.44Å; E167-Q170 HydrophobicContact CB-CG 4.22Å; E167-Q170 WeakPolarHBondContact O-CB 3.46Å; E167-Q170 PolarHBondContact O-N 2.84Å; Q170-K173 PolarHBondContact O-N 3.02Å; Q170-L174 PolarHBondContact O-N 3.08Å
171	L	91.4	Very high	89.3	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-61	-47.3	175.3	-178.3	62.4	0	0	0	110.8	V163 L166 E167 K173 L174 L175 V191 W195 L214	V163-L171 HydrophobicContact CG1-CD1 4.22Å; L166-L171 HydrophobicContact CB-CB 4.45Å; L166-L171 HydrophobicContact CD1-CB 4.47Å; L166-L171 HydrophobicContact CD1-CD1 4.41Å; E167-L171 PolarHBondContact O-N 2.97Å; L171-K173 VanDerWaalsContact C-N 3.32Å; L171-K173 PolarHBondContact O-N 2.87Å; L171-L174 WeakPolarHBondContact O-CB 3.2Å; L171-L174 PolarHBondContact O-N 3.46Å; L171-L174 VanDerWaalsContact O-N 3.09Å; L171-L175 HydrophobicContact CD1-CD1 4.11Å; L171-L175 HydrophobicContact CD1-CD2 4.26Å; L171-L175 HydrophobicContact CD1-CG 3.98Å; L171-L175 HydrophobicContact CG-CD1 4.01Å; L171-L175 HydrophobicContact CG-CG 4.21Å; L171-L175 WeakPolarHBondContact O-CG 3.4Å; L171-L175 PolarHBondContact O-N 3.13Å; L171-V191 HydrophobicContact CD1-CG1 4.18Å; L171-W195 HydrophobicContact CD2-CB 3.85Å; L171-W195 HydrophobicContact CD2-CD2 3.82Å; L171-W195 HydrophobicContact CD2-CE3 4.43Å; L171-W195 HydrophobicContact CD2-CG 3.49Å; L171-W195 VanDerWaalsContact CD2-CG 3.49Å; L171-L214 HydrophobicContact CB-CD2 4.37Å; L171-L214 HydrophobicContact CD2-CD1 4.05Å; L171-L214 HydrophobicContact CD2-CD2 4.27Å; L171-L214 HydrophobicContact CG-CD2 4.22Å
172	G	90.8	Very high	89.4	Confident	9 Å²	9	44.7 Å²	44.7	9%	0.093	23%	0.228	C	C	.	.	H	α-helix	trans	-58.8	-40.3	177.9	0	0	0	0	0	113.2	A168 S176	A168-G172 PolarHBondContact O-N 3.16Å; G172-S176 WeakPolarHBondContact O-CB 3.34Å; G172-S176 PolarHBondContact O-N 2.91Å; G172-S176 PolarHBondContact O-OG 3.33Å
173	K	91.1	Very high	89.4	Confident	139 Å²	139	47.1 Å²	47.1	60%	0.604	25%	0.246	S	C	*	.	H	α-helix	trans	-64	-41.3	174.6	-173.8	179.5	-179.2	180	0	111.6	H169 Q170 L171 S176	H169-K173 WeakPolarHBondContact O-CB 3.36Å; H169-K173 PolarHBondContact O-N 3.32Å; Q170-K173 PolarHBondContact O-N 3.02Å; L171-K173 VanDerWaalsContact C-N 3.32Å; L171-K173 PolarHBondContact O-N 2.87Å; K173-S176 PolarHBondContact O-N 2.66Å
174	L	91.5	Very high	89.5	Confident	22 Å²	22	52.7 Å²	52.7	12%	0.115	27%	0.267	C	S	.	.	H	α-helix	trans	-65	-49	178.5	-177	64.7	0	0	0	111.6	L128 L150 F154 Q170 L171 S176 S177 L180	L128-L174 HydrophobicContact CD1-CD2 4.42Å; L150-L174 HydrophobicContact CD1-CD1 4.36Å; L150-L174 HydrophobicContact CD2-CD1 3.32Å; L150-L174 HydrophobicContact CD2-CD2 4.27Å; L150-L174 HydrophobicContact CD2-CG 4.31Å; F154-L174 HydrophobicContact CE2-CD1 4.43Å; F154-L174 HydrophobicContact CE2-CD2 3.75Å; F154-L174 HydrophobicContact CE2-CG 3.91Å; Q170-L174 PolarHBondContact O-N 3.08Å; L171-L174 WeakPolarHBondContact O-CB 3.2Å; L171-L174 PolarHBondContact O-N 3.46Å; L171-L174 VanDerWaalsContact O-N 3.09Å; L174-S176 PolarHBondContact O-N 3.38Å; L174-S177 WeakPolarHBondContact O-CB 3.43Å; L174-S177 PolarHBondContact O-N 2.99Å; L174-S177 VanDerWaalsContact O-N 3.15Å; L174-L180 HydrophobicContact CD1-CD2 4.4Å
175	L	92.3	Very high	89.7	Confident	0 Å²	0	52 Å²	52	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-68.1	-21.4	179.8	-61.8	-172	0	0	0	113.5	F154 L171 S177 I188 V192 K217 R269	F154-L175 HydrophobicContact CE1-CD2 4.43Å; F154-L175 HydrophobicContact CZ-CD2 3.66Å; L171-L175 HydrophobicContact CD1-CD1 4.11Å; L171-L175 HydrophobicContact CD1-CD2 4.26Å; L171-L175 HydrophobicContact CD1-CG 3.98Å; L171-L175 HydrophobicContact CG-CD1 4.01Å; L171-L175 HydrophobicContact CG-CG 4.21Å; L171-L175 WeakPolarHBondContact O-CG 3.4Å; L171-L175 PolarHBondContact O-N 3.13Å; L175-S177 PolarHBondContact O-N 3.44Å; L175-I188 HydrophobicContact CD1-CG2 4.11Å; L175-I188 HydrophobicContact CD2-CD1 4.44Å; L175-I188 HydrophobicContact CD2-CG2 3.99Å; L175-I188 HydrophobicContact CG-CG2 4.42Å; L175-V192 HydrophobicContact CD1-CG2 3.4Å; L175-K217 HydrophobicContact CB-CB 4Å; L175-R269 PolarHBondContact O-NH1 3.27Å; L175-R269 PolarHBondContact O-NH2 2.81Å
176	S	91.2	Very high	90	Very high	56 Å²	56	45.5 Å²	45.5	39%	0.392	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-13	174.6	-61.3	0	0	0	0	113.3	G172 K173 L174 K217	G172-S176 WeakPolarHBondContact O-CB 3.34Å; G172-S176 PolarHBondContact O-N 2.91Å; G172-S176 PolarHBondContact O-OG 3.33Å; K173-S176 PolarHBondContact O-N 2.66Å; L174-S176 PolarHBondContact O-N 3.38Å; S176-K217 VanDerWaalsContact OG-CD 3.29Å; S176-K217 WeakPolarHBondContact OG-CD 3.3Å; S176-K217 WeakPolarHBondContact OG-CE 3.46Å
177	S	90.4	Very high	90.2	Very high	22 Å²	22	46.6 Å²	46.6	15%	0.154	24%	0.24	C	C	.	.			trans	-74.2	131.6	-178.2	-174.3	0	0	0	0	112.4	L174 L175 D179 R269	L174-S177 WeakPolarHBondContact O-CB 3.43Å; L174-S177 PolarHBondContact O-N 2.99Å; L174-S177 VanDerWaalsContact O-N 3.15Å; L175-S177 PolarHBondContact O-N 3.44Å; S177-D179 PolarHBondContact O-N 2.9Å; S177-D179 PolarHBondContact OG-N 2.79Å; S177-R269 PolarHBondContact O-NH1 3.17Å
178	D	89.3	Confident	90.4	Very high	45 Å²	45	41 Å²	41	24%	0.241	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-12.3	171.7	-59.9	-31.3	0	0	0	112.8	L180 R219 K267 R269 Y270	D178-L180 VanDerWaalsContact C-N 3.33Å; D178-R219 IonicContact OD1-CZ 3.46Å; D178-R219 IonicContact OD1-NH2 2.76Å; D178-R219 PolarHBondContact OD1-NH2 3.41Å; D178-K267 WeakPolarHBondContact OD2-CD 3.49Å; D178-K267 WeakPolarHBondContact OD2-CE 3.46Å; D178-K267 IonicContact OD2-NZ 3.76Å; D178-K267 PolarHBondContact OD2-NZ 3.49Å; D178-R269 CarbonylContact O-C 3.58Å; D178-R269 WeakPolarHBondContact O-CA 3.37Å; D178-Y270 PolarHBondContact O-N 2.93Å
179	D	88.1	Confident	90.6	Very high	71 Å²	71	40.2 Å²	40.2	38%	0.38	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	4.8	-172.2	-58.9	-33.7	0	0	0	112.7	R151 S177 N181	R151-D179 IonicContact CZ-OD2 3.49Å; R151-D179 IonicContact NH1-OD2 2.7Å; R151-D179 PolarHBondContact NH1-OD2 3.29Å; S177-D179 PolarHBondContact O-N 2.9Å; S177-D179 PolarHBondContact OG-N 2.79Å; D179-N181 PolarHBondContact O-N 3.23Å
180	L	89.9	Confident	90.7	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.198	C	C	.	.			trans	-68.2	128.4	176.3	-53.6	-176.9	0	0	0	110.2	R151 F154 L174 D178 V182 I188 Y270 G271	R151-L180 HydrophobicContact CG-CD2 4.15Å; F154-L180 HydrophobicContact CD1-CB 4.36Å; F154-L180 HydrophobicContact CD1-CD1 4.19Å; F154-L180 HydrophobicContact CD2-CD1 4.23Å; F154-L180 HydrophobicContact CD2-CD2 3.81Å; F154-L180 HydrophobicContact CD2-CG 4.48Å; F154-L180 HydrophobicContact CE1-CD1 3.89Å; F154-L180 HydrophobicContact CE2-CD1 3.94Å; F154-L180 HydrophobicContact CE2-CD2 4.12Å; F154-L180 HydrophobicContact CG-CB 4.29Å; F154-L180 HydrophobicContact CG-CD1 4.34Å; F154-L180 HydrophobicContact CG-CD2 4.18Å; F154-L180 HydrophobicContact CZ-CD1 3.76Å; L174-L180 HydrophobicContact CD1-CD2 4.4Å; D178-L180 VanDerWaalsContact C-N 3.33Å; L180-V182 VanDerWaalsContact C-N 3.31Å; L180-V182 HydrophobicContact CB-CG2 3.97Å; L180-V182 PolarHBondContact O-N 2.81Å; L180-I188 HydrophobicContact CD1-CD1 4.11Å; L180-Y270 PolarHBondContact O-N 3.44Å; L180-G271 PolarHBondContact O-N 2.88Å
181	N	88.7	Confident	90.8	Very high	61 Å²	61	36.7 Å²	36.7	33%	0.326	19%	0.193	S	C	.	.			trans	-79.6	79.8	177.4	-172.4	23.1	0	0	0	110.7	R151 Q152 D179 Y270 G271	R151-N181 WeakPolarHBondContact O-CB 3.03Å; R151-N181 PolarHBondContact O-N 3.39Å; Q152-N181 WeakPolarHBondContact O-CB 3.24Å; Q152-N181 PolarHBondContact O-ND2 3.34Å; D179-N181 PolarHBondContact O-N 3.23Å; N181-Y270 HydrophobicContact CB-CD1 4.18Å; N181-G271 WeakPolarHBondContact OD1-CA 3.35Å
182	V	89.4	Confident	90.9	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.193	C	C	.	.			trans	-128.2	131.9	179.5	-167.9	0	0	0	0	108.8	F154 V155 L180 R184 T187 I188 G271 M272	F154-V182 HydrophobicContact CB-CG2 4.49Å; F154-V182 HydrophobicContact CD1-CG2 3.46Å; F154-V182 VanDerWaalsContact CD1-CG2 3.46Å; F154-V182 HydrophobicContact CE1-CG2 4.13Å; F154-V182 HydrophobicContact CG-CG2 4.33Å; V155-V182 HydrophobicContact CG2-CG1 4.47Å; V155-V182 HydrophobicContact CG2-CG2 4.48Å; L180-V182 VanDerWaalsContact C-N 3.31Å; L180-V182 HydrophobicContact CB-CG2 3.97Å; L180-V182 PolarHBondContact O-N 2.81Å; V182-R184 VanDerWaalsContact C-N 3.33Å; V182-R184 WeakPolarHBondContact CG1-O 3.38Å; V182-T187 HydrophobicContact CG1-CG2 4.12Å; V182-I188 HydrophobicContact CG1-CD1 4.5Å; V182-I188 HydrophobicContact CG2-CD1 3.97Å; V182-G271 CarbonylContact O-C 3.56Å; V182-G271 WeakPolarHBondContact O-CA 3.19Å; V182-M272 WeakPolarHBondContact O-CG 3.48Å; V182-M272 PolarHBondContact O-N 2.81Å
183	T	86.1	Confident	90.8	Very high	101 Å²	101	36.9 Å²	36.9	62%	0.62	19%	0.192	S	C	*	.	S	Bend	trans	-78.9	-19.6	-179.5	53.5	0	0	0	0	113.1
184	R	90.1	Very high	90.8	Very high	120 Å²	120	34.5 Å²	34.5	45%	0.453	18%	0.18	S	C	.	.			trans	-150.4	131.8	-163.4	-83.2	-167.3	75.2	171.1	5.4	111.3	V182 E186 T187	V182-R184 VanDerWaalsContact C-N 3.33Å; V182-R184 WeakPolarHBondContact CG1-O 3.38Å; R184-E186 WeakPolarHBondContact CB-OE2 3.35Å; R184-E186 IonicContact CZ-OE1 3.61Å; R184-E186 IonicContact CZ-OE2 3.98Å; R184-E186 VanDerWaalsContact NE-CD 3.29Å; R184-E186 IonicContact NE-OE1 2.79Å; R184-E186 PolarHBondContact NE-OE1 3.2Å; R184-E186 IonicContact NE-OE2 3.88Å; R184-E186 PolarHBondContact NE-OE2 3.38Å; R184-E186 IonicContact NH2-OE1 3.28Å; R184-E186 PolarHBondContact NH2-OE1 3.05Å; R184-E186 IonicContact NH2-OE2 3.48Å; R184-E186 PolarHBondContact O-N 3.34Å; R184-T187 PolarHBondContact O-N 3.49Å; R184-T187 PolarHBondContact O-OG1 3.07Å
185	E	91.8	Very high	90.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-18	-178.5	-162.6	69.1	-171.2	0	0	111.9	T187 I188 L189 V218 R219 L222 V223 R269	E185-T187 PolarHBondContact O-N 2.87Å; E185-I188 WeakPolarHBondContact O-CB 3.4Å; E185-I188 PolarHBondContact O-N 3.29Å; E185-L189 PolarHBondContact O-N 3.3Å; E185-V218 HydrophobicContact CG-CG1 3.85Å; E185-R219 HydrophobicContact CG-CB 4.04Å; E185-R219 PolarHBondContact OE1-N 3.39Å; E185-L222 HydrophobicContact CB-CB 4.28Å; E185-V223 HydrophobicContact CB-CG2 3.9Å; E185-V223 HydrophobicContact CG-CG2 4.01Å; E185-R269 IonicContact OE1-CZ 3.86Å; E185-R269 IonicContact OE1-NE 3.53Å; E185-R269 PolarHBondContact OE1-NE 3.06Å; E185-R269 IonicContact OE1-NH2 2.92Å; E185-R269 PolarHBondContact OE1-NH2 2.73Å; E185-R269 IonicContact OE2-CZ 2.65Å; E185-R269 IonicContact OE2-NE 3.66Å; E185-R269 PolarHBondContact OE2-NE 2.95Å; E185-R269 IonicContact OE2-NH2 3.69Å
186	E	92.4	Very high	90.5	Very high	15 Å²	15	34.4 Å²	34.4	7%	0.07	18%	0.179	C	C	.	.	H	α-helix	trans	-51.9	-40.9	171.1	-67.5	83.5	169	0	0	112.4	R184 I188 L189 D190 V223 N224 Y227	R184-E186 WeakPolarHBondContact CB-OE2 3.35Å; R184-E186 IonicContact CZ-OE1 3.61Å; R184-E186 IonicContact CZ-OE2 3.98Å; R184-E186 VanDerWaalsContact NE-CD 3.29Å; R184-E186 IonicContact NE-OE1 2.79Å; R184-E186 PolarHBondContact NE-OE1 3.2Å; R184-E186 IonicContact NE-OE2 3.88Å; R184-E186 PolarHBondContact NE-OE2 3.38Å; R184-E186 IonicContact NH2-OE1 3.28Å; R184-E186 PolarHBondContact NH2-OE1 3.05Å; R184-E186 IonicContact NH2-OE2 3.48Å; R184-E186 PolarHBondContact O-N 3.34Å; E186-I188 PolarHBondContact O-N 3.25Å; E186-L189 WeakPolarHBondContact O-CB 3.48Å; E186-L189 PolarHBondContact O-N 2.63Å; E186-L189 VanDerWaalsContact O-N 3.15Å; E186-D190 VanDerWaalsContact O-CG 3.3Å; E186-D190 PolarHBondContact O-N 2.79Å; E186-V223 HydrophobicContact CG-CG1 4.09Å; E186-N224 WeakPolarHBondContact OE1-CB 3.46Å; E186-N224 PolarHBondContact OE1-N 3.48Å; E186-Y227 HydrophobicContact CB-CD1 4.03Å; E186-Y227 HydrophobicContact CB-CE1 3.86Å; E186-Y227 HydrophobicContact CG-CD1 3.46Å; E186-Y227 VanDerWaalsContact CG-CD1 3.46Å; E186-Y227 HydrophobicContact CG-CD2 4.37Å; E186-Y227 HydrophobicContact CG-CE1 3.84Å; E186-Y227 HydrophobicContact CG-CG 3.76Å
187	T	92.1	Very high	90.2	Very high	33 Å²	33	39 Å²	39	20%	0.202	19%	0.192	C	C	.	.	H	α-helix	trans	-61	-35.1	179.5	-50	0	0	0	0	111.7	V182 R184 E185 V191	V182-T187 HydrophobicContact CG1-CG2 4.12Å; R184-T187 PolarHBondContact O-N 3.49Å; R184-T187 PolarHBondContact O-OG1 3.07Å; E185-T187 PolarHBondContact O-N 2.87Å; T187-V191 VanDerWaalsContact O-CG2 3.23Å; T187-V191 WeakPolarHBondContact O-CG2 3.28Å; T187-V191 PolarHBondContact O-N 3.44Å
188	I	93.8	Very high	89.7	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-71.7	-43.9	177.9	-51.8	-64.9	0	0	0	110.3	F154 L175 L180 V182 E185 E186 D190 V191 V192 V218	F154-I188 HydrophobicContact CD1-CD1 4.35Å; F154-I188 HydrophobicContact CE1-CD1 3.6Å; F154-I188 HydrophobicContact CZ-CD1 4.35Å; L175-I188 HydrophobicContact CD1-CG2 4.11Å; L175-I188 HydrophobicContact CD2-CD1 4.44Å; L175-I188 HydrophobicContact CD2-CG2 3.99Å; L175-I188 HydrophobicContact CG-CG2 4.42Å; L180-I188 HydrophobicContact CD1-CD1 4.11Å; V182-I188 HydrophobicContact CG1-CD1 4.5Å; V182-I188 HydrophobicContact CG2-CD1 3.97Å; E185-I188 WeakPolarHBondContact O-CB 3.4Å; E185-I188 PolarHBondContact O-N 3.29Å; E186-I188 PolarHBondContact O-N 3.25Å; I188-D190 VanDerWaalsContact C-N 3.3Å; I188-D190 PolarHBondContact O-N 3.03Å; I188-V191 PolarHBondContact O-N 2.73Å; I188-V192 WeakPolarHBondContact O-CG2 3.46Å; I188-V192 PolarHBondContact O-N 2.87Å; I188-V192 VanDerWaalsContact O-N 3.12Å; I188-V218 HydrophobicContact CG2-CG2 4.06Å
189	L	92.8	Very high	88.4	Confident	1 Å²	1	44.7 Å²	44.7	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-58.7	-44.9	176.6	-179.8	59.7	0	0	0	110.7	E185 E186 V191 V192 L193 L215 V218 V223 Y227 L228 A231	E185-L189 PolarHBondContact O-N 3.3Å; E186-L189 WeakPolarHBondContact O-CB 3.48Å; E186-L189 PolarHBondContact O-N 2.63Å; E186-L189 VanDerWaalsContact O-N 3.15Å; L189-V191 VanDerWaalsContact C-N 3.32Å; L189-V191 PolarHBondContact O-N 2.98Å; L189-V192 PolarHBondContact O-N 3.5Å; L189-L193 HydrophobicContact CD1-CD1 4.06Å; L189-L193 HydrophobicContact CD1-CG 4.18Å; L189-L193 HydrophobicContact CG-CD1 3.87Å; L189-L193 HydrophobicContact CG-CG 4.41Å; L189-L193 VanDerWaalsContact O-CG 3.27Å; L189-L193 WeakPolarHBondContact O-CG 3.28Å; L189-L193 PolarHBondContact O-N 2.9Å; L189-L215 HydrophobicContact CD1-CD1 3.74Å; L189-V218 HydrophobicContact CB-CG1 4.13Å; L189-V223 HydrophobicContact CD2-CG1 4.39Å; L189-Y227 HydrophobicContact CD2-CD1 4.5Å; L189-Y227 HydrophobicContact CD2-CE1 4.39Å; L189-L228 HydrophobicContact CD2-CD1 3.9Å; L189-A231 HydrophobicContact CD2-CB 4.24Å
190	D	91.6	Very high	87.1	Confident	67 Å²	67	44.1 Å²	44.1	36%	0.358	22%	0.222	S	C	.	.	H	α-helix	trans	-60.2	-40.7	178.7	-71.5	-14.5	0	0	0	112.4	E186 I188 L193 R194 Y227	E186-D190 VanDerWaalsContact O-CG 3.3Å; E186-D190 PolarHBondContact O-N 2.79Å; I188-D190 VanDerWaalsContact C-N 3.3Å; I188-D190 PolarHBondContact O-N 3.03Å; D190-L193 PolarHBondContact O-N 3.17Å; D190-R194 VanDerWaalsContact O-CB 3.23Å; D190-R194 WeakPolarHBondContact O-CB 3.34Å; D190-R194 PolarHBondContact O-N 3.38Å; D190-Y227 PolarHBondContact OD1-OH 3.19Å; D190-Y227 PolarHBondContact OD2-OH 3.41Å
191	V	92.2	Very high	85.1	Confident	8 Å²	8	52.4 Å²	52.4	5%	0.048	27%	0.266	C	S	.	.	H	α-helix	trans	-62.9	-45.8	176.7	172.2	0	0	0	0	111.1	C158 V163 L171 T187 I188 L189 L193 R194 W195	C158-V191 HydrophobicContact CB-CG2 3.49Å; C158-V191 VanDerWaalsContact CB-CG2 3.49Å; C158-V191 WeakPolarHBondContact SG-CG2 3.15Å; V163-V191 HydrophobicContact CG1-CG1 3.96Å; L171-V191 HydrophobicContact CD1-CG1 4.18Å; T187-V191 VanDerWaalsContact O-CG2 3.23Å; T187-V191 WeakPolarHBondContact O-CG2 3.28Å; T187-V191 PolarHBondContact O-N 3.44Å; I188-V191 PolarHBondContact O-N 2.73Å; L189-V191 VanDerWaalsContact C-N 3.32Å; L189-V191 PolarHBondContact O-N 2.98Å; V191-L193 PolarHBondContact O-N 3.28Å; V191-R194 PolarHBondContact O-N 2.62Å; V191-W195 WeakPolarHBondContact O-CB 3.31Å; V191-W195 PolarHBondContact O-N 2.89Å
192	V	92.4	Very high	83.2	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-60.4	-47.2	177.4	173.2	0	0	0	0	110.4	L175 I188 L189 R194 W195 V196 L211 L214 V218	L175-V192 HydrophobicContact CD1-CG2 3.4Å; I188-V192 WeakPolarHBondContact O-CG2 3.46Å; I188-V192 PolarHBondContact O-N 2.87Å; I188-V192 VanDerWaalsContact O-N 3.12Å; L189-V192 PolarHBondContact O-N 3.5Å; V192-R194 PolarHBondContact O-N 2.99Å; V192-W195 PolarHBondContact O-N 3.4Å; V192-V196 VanDerWaalsContact O-CG2 3.26Å; V192-V196 WeakPolarHBondContact O-CG2 3.41Å; V192-V196 PolarHBondContact O-N 3.32Å; V192-L211 HydrophobicContact CG1-CD1 3.82Å; V192-L214 HydrophobicContact CG1-CB 3.82Å; V192-L214 HydrophobicContact CG1-CD1 4.44Å; V192-L214 HydrophobicContact CG2-CB 4.26Å; V192-V218 HydrophobicContact CG2-CG2 4.04Å
193	L	89.9	Confident	81.8	Confident	13 Å²	13	60.7 Å²	60.7	7%	0.068	31%	0.307	C	S	.	.	H	α-helix	trans	-65.6	-39.5	-179.6	-65.6	172.9	0	0	0	112.3	L189 D190 V191 V196 K197 A231 N235 L238	L189-L193 HydrophobicContact CD1-CD1 4.06Å; L189-L193 HydrophobicContact CD1-CG 4.18Å; L189-L193 HydrophobicContact CG-CD1 3.87Å; L189-L193 HydrophobicContact CG-CG 4.41Å; L189-L193 VanDerWaalsContact O-CG 3.27Å; L189-L193 WeakPolarHBondContact O-CG 3.28Å; L189-L193 PolarHBondContact O-N 2.9Å; D190-L193 PolarHBondContact O-N 3.17Å; V191-L193 PolarHBondContact O-N 3.28Å; L193-V196 PolarHBondContact O-N 3.36Å; L193-K197 VanDerWaalsContact O-CB 3.27Å; L193-K197 WeakPolarHBondContact O-CB 3.43Å; L193-K197 PolarHBondContact O-N 3.49Å; L193-A231 HydrophobicContact CD1-CB 4.33Å; L193-N235 HydrophobicContact CD2-CB 4.28Å; L193-L238 HydrophobicContact CD1-CD1 4.49Å; L193-L238 HydrophobicContact CD2-CD1 3.8Å; L193-L238 HydrophobicContact CD2-CD2 3.93Å; L193-L238 HydrophobicContact CD2-CG 3.83Å
194	R	90.2	Very high	80.7	Confident	90 Å²	90	56.9 Å²	56.9	34%	0.34	29%	0.287	S	S	.	.	H	α-helix	trans	-65.3	-41.1	175.7	-166.5	178	116.8	168.3	3.9	111.5	C158 Q159 N160 L164 D190 V191 V192 K197 N198	C158-R194 PolarHBondContact O-NH1 3.23Å; Q159-R194 PolarHBondContact O-NH1 3.22Å; Q159-R194 PolarHBondContact O-NH2 3.3Å; N160-R194 VanDerWaalsContact C-NH2 3.28Å; N160-R194 PolarHBondContact O-NH2 3.4Å; L164-R194 HydrophobicContact CD1-CG 4.42Å; L164-R194 HydrophobicContact CD2-CB 4.25Å; L164-R194 HydrophobicContact CD2-CG 3.86Å; D190-R194 VanDerWaalsContact O-CB 3.23Å; D190-R194 WeakPolarHBondContact O-CB 3.34Å; D190-R194 PolarHBondContact O-N 3.38Å; V191-R194 PolarHBondContact O-N 2.62Å; V192-R194 PolarHBondContact O-N 2.99Å; R194-K197 PolarHBondContact O-N 2.72Å; R194-N198 PolarHBondContact O-N 3.32Å; R194-N198 VanDerWaalsContact O-N 3.1Å
195	W	90.3	Very high	79.5	Confident	5 Å²	5	58.6 Å²	58.6	2%	0.019	30%	0.301	C	S	.	.	H	α-helix	trans	-63.7	-43.7	176.1	-175.1	93.1	0	0	0	111.9	L164 L166 A168 L171 V191 V192 N198 R207 H210 L214	L164-W195 HydrophobicContact CD2-CB 4.24Å; L166-W195 PolarHBondContact O-NE1 3.37Å; A168-W195 HydrophobicContact CB-CH2 3.71Å; A168-W195 HydrophobicContact CB-CZ2 4.12Å; L171-W195 HydrophobicContact CD2-CB 3.85Å; L171-W195 HydrophobicContact CD2-CD2 3.82Å; L171-W195 HydrophobicContact CD2-CE3 4.43Å; L171-W195 HydrophobicContact CD2-CG 3.49Å; L171-W195 VanDerWaalsContact CD2-CG 3.49Å; V191-W195 WeakPolarHBondContact O-CB 3.31Å; V191-W195 PolarHBondContact O-N 2.89Å; V192-W195 PolarHBondContact O-N 3.4Å; W195-N198 PolarHBondContact O-N 2.94Å; W195-R207 HydrophobicContact CE3-CB 4.26Å; W195-R207 HydrophobicContact CE3-CG 4.43Å; W195-R207 HydrophobicContact CH2-CB 3.8Å; W195-R207 HydrophobicContact CH2-CG 3.5Å; W195-R207 VanDerWaalsContact CH2-CG 3.5Å; W195-R207 HydrophobicContact CZ2-CG 3.9Å; W195-R207 HydrophobicContact CZ3-CB 3.61Å; W195-R207 HydrophobicContact CZ3-CG 3.81Å; W195-R207 WeakPolarHBondContact O-CD 3.43Å; W195-H210 HydrophobicContact CH2-CB 4.46Å; W195-H210 HydrophobicContact CZ3-CB 4.37Å; W195-L214 HydrophobicContact CD2-CD1 4.31Å; W195-L214 HydrophobicContact CE3-CD1 3.54Å; W195-L214 HydrophobicContact CH2-CD1 4.39Å; W195-L214 HydrophobicContact CZ3-CD1 3.59Å
196	V	87.5	Confident	78.7	Confident	14 Å²	14	62 Å²	62	9%	0.085	32%	0.321	C	S	.	.	H	α-helix	trans	-65	-39.9	175.3	177.6	0	0	0	0	111.8	V192 L193 N198 L211 A237	V192-V196 VanDerWaalsContact O-CG2 3.26Å; V192-V196 WeakPolarHBondContact O-CG2 3.41Å; V192-V196 PolarHBondContact O-N 3.32Å; L193-V196 PolarHBondContact O-N 3.36Å; V196-N198 PolarHBondContact O-N 2.86Å; V196-L211 HydrophobicContact CG2-CB 4.14Å; V196-L211 HydrophobicContact CG2-CD1 3.69Å; V196-L211 HydrophobicContact CG2-CG 4.37Å; V196-A237 HydrophobicContact CG1-CB 4.34Å
197	K	85.1	Confident	78.2	Confident	154 Å²	154	62.5 Å²	62.5	67%	0.67	32%	0.322	S	S	*	.	H	α-helix	trans	-71.6	-17.1	-179.7	-171.9	177	177	-174.9	0	113.2	L193 R194 N199	L193-K197 VanDerWaalsContact O-CB 3.27Å; L193-K197 WeakPolarHBondContact O-CB 3.43Å; L193-K197 PolarHBondContact O-N 3.49Å; R194-K197 PolarHBondContact O-N 2.72Å; K197-N199 PolarHBondContact O-N 2.86Å
198	N	80.9	Confident	77.7	Confident	57 Å²	57	62.9 Å²	62.9	31%	0.305	33%	0.328	S	S	.	.			trans	-66.5	95.9	-177.4	-169	28	0	0	0	111.1	L164 R194 W195 V196 S200 R207	L164-N198 HydrophobicContact CB-CB 4.36Å; L164-N198 WeakPolarHBondContact CB-ND2 3.44Å; L164-N198 HydrophobicContact CD1-CB 4.42Å; R194-N198 PolarHBondContact O-N 3.32Å; R194-N198 VanDerWaalsContact O-N 3.1Å; W195-N198 PolarHBondContact O-N 2.94Å; V196-N198 PolarHBondContact O-N 2.86Å; N198-S200 VanDerWaalsContact C-N 3.34Å; N198-S200 PolarHBondContact O-N 3.36Å; N198-R207 PolarHBondContact O-NH1 3.34Å; N198-R207 VanDerWaalsContact O-NH1 3.09Å
199	N	61.2	Low	77.3	Confident	128 Å²	128	71.8 Å²	71.8	68%	0.684	36%	0.362	S	S	*	.			trans	-80.7	75.3	-178.7	-77.1	-15.2	0	0	0	110.6	K197 L201	K197-N199 PolarHBondContact O-N 2.86Å; N199-L201 PolarHBondContact O-N 3.2Å
200	S	59.8	Low	77	Confident	59 Å²	59	75.5 Å²	75.5	41%	0.413	38%	0.379	S	S	.	.			trans	-67	127	148.1	174.9	0	0	0	0	106.8	N198 M202 D203	N198-S200 VanDerWaalsContact C-N 3.34Å; N198-S200 PolarHBondContact O-N 3.36Å; S200-M202 PolarHBondContact O-N 3.22Å; S200-D203 PolarHBondContact O-N 3.19Å
201	L	47.9	Very low	76.9	Confident	175 Å²	175	72.4 Å²	72.4	92%	0.916	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-7	-167.5	-77.6	146.8	0	0	0	115.8	N199	N199-L201 PolarHBondContact O-N 3.2Å
202	M	50.8	Low	76.7	Confident	174 Å²	174	72.4 Å²	72.4	86%	0.857	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120	-11.7	178.5	-66.3	-69.7	177.9	0	0	114.7	S200	S200-M202 PolarHBondContact O-N 3.22Å
203	D	59.2	Low	76.6	Confident	61 Å²	61	77.4 Å²	77.4	33%	0.326	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.5	-12.9	-169.9	-82.1	-20.3	0	0	0	115	S200 E205 V206 R207	S200-D203 PolarHBondContact O-N 3.19Å; D203-E205 PolarHBondContact O-N 2.85Å; D203-V206 PolarHBondContact O-N 3.12Å; D203-R207 HydrophobicContact CB-CG 4.39Å; D203-R207 PolarHBondContact O-N 3.43Å; D203-R207 IonicContact OD2-CZ 3.68Å; D203-R207 IonicContact OD2-NH1 3.01Å; D203-R207 IonicContact OD2-NH2 3.56Å; D203-R207 PolarHBondContact OD2-NH2 2.83Å
204	G	62.2	Low	76.7	Confident	21 Å²	21	77 Å²	77	22%	0.216	38%	0.384	C	S	.	.	H	α-helix	trans	-57.7	-42.9	-170.1	0	0	0	0	0	114.2	A208	G204-A208 PolarHBondContact O-N 3.36Å
205	E	65.4	Low	76.8	Confident	156 Å²	156	72.7 Å²	72.7	73%	0.729	37%	0.368	S	S	*	.	H	α-helix	trans	-71.5	-29.8	176.7	-68.7	-170.3	169.9	0	0	112.9	D203 R209	D203-E205 PolarHBondContact O-N 2.85Å; E205-R209 WeakPolarHBondContact O-CG 3.41Å
206	V	75.3	Confident	76.8	Confident	70 Å²	70	77 Å²	77	42%	0.424	39%	0.387	S	S	.	.	H	α-helix	trans	-74.2	-43.6	178.4	-178	0	0	0	0	110.1	D203 A208 R209 H210	D203-V206 PolarHBondContact O-N 3.12Å; V206-A208 PolarHBondContact O-N 2.97Å; V206-R209 WeakPolarHBondContact O-CB 3.25Å; V206-R209 PolarHBondContact O-N 3.27Å; V206-H210 PolarHBondContact O-CD2 3.42Å; V206-H210 VanDerWaalsContact O-CD2 3.24Å
207	R	81.5	Confident	77	Confident	27 Å²	27	80.1 Å²	80.1	10%	0.102	40%	0.399	C	S	.	.	H	α-helix	trans	-63.7	-39	177.2	-69.3	-163.5	174.5	102.3	15.9	112.3	W195 N198 D203 R209 H210 L211	W195-R207 HydrophobicContact CE3-CB 4.26Å; W195-R207 HydrophobicContact CE3-CG 4.43Å; W195-R207 HydrophobicContact CH2-CB 3.8Å; W195-R207 HydrophobicContact CH2-CG 3.5Å; W195-R207 VanDerWaalsContact CH2-CG 3.5Å; W195-R207 HydrophobicContact CZ2-CG 3.9Å; W195-R207 HydrophobicContact CZ3-CB 3.61Å; W195-R207 HydrophobicContact CZ3-CG 3.81Å; W195-R207 WeakPolarHBondContact O-CD 3.43Å; N198-R207 PolarHBondContact O-NH1 3.34Å; N198-R207 VanDerWaalsContact O-NH1 3.09Å; D203-R207 HydrophobicContact CB-CG 4.39Å; D203-R207 PolarHBondContact O-N 3.43Å; D203-R207 IonicContact OD2-CZ 3.68Å; D203-R207 IonicContact OD2-NH1 3.01Å; D203-R207 IonicContact OD2-NH2 3.56Å; D203-R207 PolarHBondContact OD2-NH2 2.83Å; R207-R209 PolarHBondContact O-N 3.46Å; R207-H210 PolarHBondContact O-N 3.04Å; R207-L211 PolarHBondContact O-N 3.05Å
208	A	81.2	Confident	77.4	Confident	40 Å²	40	73.2 Å²	73.2	33%	0.331	37%	0.37	S	S	.	.	H	α-helix	trans	-59.3	-33.6	176.6	0	0	0	0	0	113	G204 V206 H210 L211	G204-A208 PolarHBondContact O-N 3.36Å; V206-A208 PolarHBondContact O-N 2.97Å; A208-H210 PolarHBondContact O-N 2.89Å; A208-L211 WeakPolarHBondContact O-CB 3.13Å; A208-L211 PolarHBondContact O-N 3.49Å
209	R	85	Confident	77.9	Confident	188 Å²	188	72 Å²	72	71%	0.709	36%	0.361	S	S	*	.	H	α-helix	trans	-66.8	-23.6	176.3	-65.9	173.2	-174.3	-172.2	2.6	113.6	E205 V206 R207	E205-R209 WeakPolarHBondContact O-CG 3.41Å; V206-R209 WeakPolarHBondContact O-CB 3.25Å; V206-R209 PolarHBondContact O-N 3.27Å; R207-R209 PolarHBondContact O-N 3.46Å
210	H	87.4	Confident	79.1	Confident	79 Å²	79	66.4 Å²	66.4	37%	0.366	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-4.1	177.7	-66.3	-67	0	0	0	113.2	A168 W195 V206 R207 A208 E213 L214	A168-H210 HydrophobicContact CB-CB 3.75Å; W195-H210 HydrophobicContact CH2-CB 4.46Å; W195-H210 HydrophobicContact CZ3-CB 4.37Å; V206-H210 PolarHBondContact O-CD2 3.42Å; V206-H210 VanDerWaalsContact O-CD2 3.24Å; R207-H210 PolarHBondContact O-N 3.04Å; A208-H210 PolarHBondContact O-N 2.89Å; H210-E213 PolarHBondContact O-N 2.87Å; H210-L214 WeakPolarHBondContact O-CG 3.31Å; H210-L214 PolarHBondContact O-N 3.43Å
211	L	88.7	Confident	80.4	Confident	2 Å²	2	66.7 Å²	66.7	1%	0.01	33%	0.331	C	S	.	.	H	α-helix	trans	-56.8	-47.1	179.8	177.1	60.4	0	0	0	113.1	V192 V196 R207 A208 E213 L214 L215 A237 L238	V192-L211 HydrophobicContact CG1-CD1 3.82Å; V196-L211 HydrophobicContact CG2-CB 4.14Å; V196-L211 HydrophobicContact CG2-CD1 3.69Å; V196-L211 HydrophobicContact CG2-CG 4.37Å; R207-L211 PolarHBondContact O-N 3.05Å; A208-L211 WeakPolarHBondContact O-CB 3.13Å; A208-L211 PolarHBondContact O-N 3.49Å; L211-E213 VanDerWaalsContact C-N 3.33Å; L211-E213 PolarHBondContact O-N 3.04Å; L211-L214 PolarHBondContact O-N 3.12Å; L211-L215 VanDerWaalsContact O-CB 3.26Å; L211-L215 WeakPolarHBondContact O-CB 3.08Å; L211-L215 PolarHBondContact O-N 3.02Å; L211-A237 HydrophobicContact CD2-CB 4.02Å; L211-L238 HydrophobicContact CD1-CD2 4.26Å; L211-L238 HydrophobicContact CD2-CD2 4.09Å; L211-L238 HydrophobicContact CG-CD2 4.5Å
212	P	89.4	Confident	82.3	Confident	8 Å²	8	61 Å²	61	5%	0.052	30%	0.302	C	S	.	.	H	α-helix	trans	-60.6	-41.8	179.9	-21.2	32	0	0	0	112.5	L215 K216 E243 M247	P212-L215 PolarHBondContact O-N 2.82Å; P212-K216 WeakPolarHBondContact O-CG 3.44Å; P212-K216 PolarHBondContact O-N 3.22Å; P212-K216 VanDerWaalsContact O-N 3.09Å; P212-E243 HydrophobicContact CB-CB 4.47Å; P212-E243 HydrophobicContact CB-CG 4.48Å; P212-M247 HydrophobicContact CB-CE 4.32Å
213	E	90.7	Very high	84.1	Confident	104 Å²	104	53 Å²	53	49%	0.486	26%	0.263	S	S	.	.	H	α-helix	trans	-65.6	-38.9	178.8	-75.5	-63.7	122.9	0	0	112.8	H210 L211 K216	H210-E213 PolarHBondContact O-N 2.87Å; L211-E213 VanDerWaalsContact C-N 3.33Å; L211-E213 PolarHBondContact O-N 3.04Å; E213-K216 IonicContact OE1-NZ 2.72Å; E213-K216 PolarHBondContact OE1-NZ 3Å
214	L	91.1	Very high	85.5	Confident	4 Å²	4	53.3 Å²	53.3	2%	0.021	26%	0.264	C	S	.	.	H	α-helix	trans	-72	-37.4	174.7	-69.1	175.4	0	0	0	111.8	L171 V192 W195 H210 L211 K216 K217	L171-L214 HydrophobicContact CB-CD2 4.37Å; L171-L214 HydrophobicContact CD2-CD1 4.05Å; L171-L214 HydrophobicContact CD2-CD2 4.27Å; L171-L214 HydrophobicContact CG-CD2 4.22Å; V192-L214 HydrophobicContact CG1-CB 3.82Å; V192-L214 HydrophobicContact CG1-CD1 4.44Å; V192-L214 HydrophobicContact CG2-CB 4.26Å; W195-L214 HydrophobicContact CD2-CD1 4.31Å; W195-L214 HydrophobicContact CE3-CD1 3.54Å; W195-L214 HydrophobicContact CH2-CD1 4.39Å; W195-L214 HydrophobicContact CZ3-CD1 3.59Å; H210-L214 WeakPolarHBondContact O-CG 3.31Å; H210-L214 PolarHBondContact O-N 3.43Å; L211-L214 PolarHBondContact O-N 3.12Å; L214-K216 VanDerWaalsContact C-N 3.3Å; L214-K216 PolarHBondContact O-N 3.1Å; L214-K217 WeakPolarHBondContact O-CA 3.44Å; L214-K217 VanDerWaalsContact O-CB 3.29Å; L214-K217 WeakPolarHBondContact O-CB 3.34Å; L214-K217 PolarHBondContact O-N 3.41Å
215	L	91.6	Very high	86.8	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-65.5	-33.3	179.8	-165.1	61.9	0	0	0	111.7	L189 L211 P212 K217 V218 L220 L238 C244 M247 L248	L189-L215 HydrophobicContact CD1-CD1 3.74Å; L211-L215 VanDerWaalsContact O-CB 3.26Å; L211-L215 WeakPolarHBondContact O-CB 3.08Å; L211-L215 PolarHBondContact O-N 3.02Å; P212-L215 PolarHBondContact O-N 2.82Å; L215-K217 PolarHBondContact O-N 2.95Å; L215-K217 VanDerWaalsContact O-N 3.15Å; L215-V218 HydrophobicContact CD1-CB 4.44Å; L215-V218 HydrophobicContact CD1-CG2 4.18Å; L215-V218 WeakPolarHBondContact O-CB 3.28Å; L215-V218 PolarHBondContact O-N 2.73Å; L215-L220 HydrophobicContact CD1-CD1 4.46Å; L215-L220 HydrophobicContact CD1-CD2 3.87Å; L215-L220 HydrophobicContact CD2-CD1 4.46Å; L215-L220 HydrophobicContact CG-CD1 4.14Å; L215-L220 HydrophobicContact CG-CD2 4.44Å; L215-L238 HydrophobicContact CD2-CD2 4.13Å; L215-C244 HydrophobicContact CD2-CB 3.98Å; L215-M247 HydrophobicContact CB-CE 4.15Å; L215-M247 HydrophobicContact CD2-CE 3.94Å; L215-M247 HydrophobicContact CG-CE 4.3Å; L215-L248 HydrophobicContact CD2-CG 4.46Å
216	K	91.1	Very high	87.9	Confident	96 Å²	96	51.8 Å²	51.8	42%	0.417	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-20.7	169.6	-71.3	169.7	-168.7	166.7	0	113.8	P212 E213 L214 E243 M247	P212-K216 WeakPolarHBondContact O-CG 3.44Å; P212-K216 PolarHBondContact O-N 3.22Å; P212-K216 VanDerWaalsContact O-N 3.09Å; E213-K216 IonicContact OE1-NZ 2.72Å; E213-K216 PolarHBondContact OE1-NZ 3Å; L214-K216 VanDerWaalsContact C-N 3.3Å; L214-K216 PolarHBondContact O-N 3.1Å; K216-E243 WeakPolarHBondContact CE-OE1 3.4Å; K216-E243 IonicContact NZ-OE1 3.2Å; K216-E243 PolarHBondContact NZ-OE1 3.07Å; K216-M247 HydrophobicContact CG-SD 3.76Å
217	K	92.3	Very high	88.7	Confident	80 Å²	80	51.3 Å²	51.3	35%	0.348	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-11.9	175.7	-50	-50	-172.5	175.5	0	112.8	L175 S176 L214 L215 R269	L175-K217 HydrophobicContact CB-CB 4Å; S176-K217 VanDerWaalsContact OG-CD 3.29Å; S176-K217 WeakPolarHBondContact OG-CD 3.3Å; S176-K217 WeakPolarHBondContact OG-CE 3.46Å; L214-K217 WeakPolarHBondContact O-CA 3.44Å; L214-K217 VanDerWaalsContact O-CB 3.29Å; L214-K217 WeakPolarHBondContact O-CB 3.34Å; L214-K217 PolarHBondContact O-N 3.41Å; L215-K217 PolarHBondContact O-N 2.95Å; L215-K217 VanDerWaalsContact O-N 3.15Å; K217-R269 PolarHBondContact O-NH2 3.42Å; K217-R269 VanDerWaalsContact O-NH2 3.16Å
218	V	92.3	Very high	89	Confident	8 Å²	8	50.1 Å²	50.1	5%	0.048	25%	0.245	C	C	.	.	S	Bend	trans	-87.6	128.8	173.2	-169.7	0	0	0	0	108.6	E185 I188 L189 V192 L215 L220 V223	E185-V218 HydrophobicContact CG-CG1 3.85Å; I188-V218 HydrophobicContact CG2-CG2 4.06Å; L189-V218 HydrophobicContact CB-CG1 4.13Å; V192-V218 HydrophobicContact CG2-CG2 4.04Å; L215-V218 HydrophobicContact CD1-CB 4.44Å; L215-V218 HydrophobicContact CD1-CG2 4.18Å; L215-V218 WeakPolarHBondContact O-CB 3.28Å; L215-V218 PolarHBondContact O-N 2.73Å; V218-L220 HydrophobicContact CB-CD2 4.12Å; V218-L220 HydrophobicContact CB-CG 4.45Å; V218-L220 HydrophobicContact CG1-CD2 3.86Å; V218-L220 HydrophobicContact CG1-CG 4.49Å; V218-L220 PolarHBondContact O-N 3.27Å; V218-V223 HydrophobicContact CG1-CG2 4.43Å
219	R	91	Very high	89.3	Confident	32 Å²	32	53.4 Å²	53.4	12%	0.121	25%	0.249	C	C	.	.			trans	-81.3	68.4	176.2	-55.8	-170.6	-160.5	124.2	-8	110.3	D178 E185 P221 L222 K267 L268	D178-R219 IonicContact OD1-CZ 3.46Å; D178-R219 IonicContact OD1-NH2 2.76Å; D178-R219 PolarHBondContact OD1-NH2 3.41Å; E185-R219 HydrophobicContact CG-CB 4.04Å; E185-R219 PolarHBondContact OE1-N 3.39Å; R219-P221 VanDerWaalsContact C-N 3.28Å; R219-P221 WeakPolarHBondContact O-CD 3.32Å; R219-P221 VanDerWaalsContact O-N 3.07Å; R219-L222 HydrophobicContact CB-CD1 3.87Å; R219-L222 HydrophobicContact CB-CG 4.23Å; R219-L222 WeakPolarHBondContact O-CB 3.43Å; R219-L222 PolarHBondContact O-N 3.47Å; R219-K267 WeakPolarHBondContact CD-O 3.3Å; R219-K267 PolarHBondContact NE-O 2.97Å; R219-K267 VanDerWaalsContact NE-O 3.09Å; R219-K267 PolarHBondContact NH1-O 3.16Å; R219-K267 PolarHBondContact NH2-O 2.69Å; R219-L268 VanDerWaalsContact NH1-C 3.3Å
220	L	88.1	Confident	89.5	Confident	11 Å²	11	48.2 Å²	48.2	6%	0.058	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-46.5	-37.6	-174.3	-61.6	174.3	0	0	0	115.3	L215 V218 L222 V223 L228 M247 L248 A251	L215-L220 HydrophobicContact CD1-CD1 4.46Å; L215-L220 HydrophobicContact CD1-CD2 3.87Å; L215-L220 HydrophobicContact CD2-CD1 4.46Å; L215-L220 HydrophobicContact CG-CD1 4.14Å; L215-L220 HydrophobicContact CG-CD2 4.44Å; V218-L220 HydrophobicContact CB-CD2 4.12Å; V218-L220 HydrophobicContact CB-CG 4.45Å; V218-L220 HydrophobicContact CG1-CD2 3.86Å; V218-L220 HydrophobicContact CG1-CG 4.49Å; V218-L220 PolarHBondContact O-N 3.27Å; L220-L222 PolarHBondContact O-N 3.01Å; L220-L222 VanDerWaalsContact O-N 3.12Å; L220-V223 WeakPolarHBondContact O-CB 3.43Å; L220-V223 PolarHBondContact O-N 3.17Å; L220-L228 HydrophobicContact CD2-CD1 4.2Å; L220-M247 HydrophobicContact CD1-CB 3.98Å; L220-L248 HydrophobicContact CD1-CD2 4.14Å; L220-L248 HydrophobicContact CD2-CD2 4.09Å; L220-A251 HydrophobicContact CB-CB 3.57Å
221	P	87.3	Confident	89.4	Confident	65 Å²	65	44.8 Å²	44.8	42%	0.422	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-64.7	-14	176.7	-23.9	36.4	0	0	0	115	R219 L266	R219-P221 VanDerWaalsContact C-N 3.28Å; R219-P221 WeakPolarHBondContact O-CD 3.32Å; R219-P221 VanDerWaalsContact O-N 3.07Å; P221-L266 HydrophobicContact CB-CD1 3.78Å; P221-L266 HydrophobicContact CG-CD1 3.88Å
222	L	87.1	Confident	89.3	Confident	56 Å²	56	45.8 Å²	45.8	29%	0.293	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-94	-5.2	175	-58.2	178.2	0	0	0	112.9	E185 R219 L220 L266 L268 M272	E185-L222 HydrophobicContact CB-CB 4.28Å; R219-L222 HydrophobicContact CB-CD1 3.87Å; R219-L222 HydrophobicContact CB-CG 4.23Å; R219-L222 WeakPolarHBondContact O-CB 3.43Å; R219-L222 PolarHBondContact O-N 3.47Å; L220-L222 PolarHBondContact O-N 3.01Å; L220-L222 VanDerWaalsContact O-N 3.12Å; L222-L266 HydrophobicContact CD1-CB 4.47Å; L222-L266 HydrophobicContact CD2-CD1 4.45Å; L222-L266 HydrophobicContact CG-CD1 4.18Å; L222-L268 HydrophobicContact CD1-CD2 3.79Å; L222-L268 HydrophobicContact CD2-CD2 4.29Å; L222-M272 HydrophobicContact CB-CE 4.24Å; L222-M272 HydrophobicContact CD1-CE 3.97Å; L222-M272 HydrophobicContact CD1-SD 4.48Å
223	V	88.9	Confident	89.1	Confident	6 Å²	6	55.5 Å²	55.5	4%	0.036	26%	0.258	C	S	.	.	S	Bend	trans	-81.6	138.9	176.8	177.3	0	0	0	0	109.1	E185 E186 L189 V218 L220 Y227 L228	E185-V223 HydrophobicContact CB-CG2 3.9Å; E185-V223 HydrophobicContact CG-CG2 4.01Å; E186-V223 HydrophobicContact CG-CG1 4.09Å; L189-V223 HydrophobicContact CD2-CG1 4.39Å; V218-V223 HydrophobicContact CG1-CG2 4.43Å; L220-V223 WeakPolarHBondContact O-CB 3.43Å; L220-V223 PolarHBondContact O-N 3.17Å; V223-Y227 HydrophobicContact CG1-CD1 4.12Å; V223-L228 HydrophobicContact CG1-CB 4.18Å; V223-L228 HydrophobicContact CG1-CD1 4.11Å
224	N	88.8	Confident	88.9	Confident	67 Å²	67	59 Å²	59	36%	0.358	27%	0.267	S	S	.	.			trans	-57.3	127.6	175.5	-176.9	-40	0	0	0	110.9	E186 D226 Y227 L228	E186-N224 WeakPolarHBondContact OE1-CB 3.46Å; E186-N224 PolarHBondContact OE1-N 3.48Å; N224-D226 VanDerWaalsContact C-N 3.27Å; N224-D226 PolarHBondContact O-N 3.3Å; N224-D226 WeakPolarHBondContact OD1-CB 3.5Å; N224-D226 PolarHBondContact OD1-N 3.36Å; N224-Y227 WeakPolarHBondContact O-CB 3.45Å; N224-Y227 PolarHBondContact O-N 2.97Å; N224-Y227 VanDerWaalsContact O-N 3.08Å; N224-L228 PolarHBondContact O-N 3.38Å
225	P	88.2	Confident	88.4	Confident	37 Å²	37	60.5 Å²	60.5	24%	0.24	28%	0.275	C	S	.	.	H	α-helix	trans	-56.3	-35.3	-179.4	-27.9	36.2	0	0	0	114.7	L228 R229 L252 A255	P225-L228 PolarHBondContact O-N 3.09Å; P225-R229 WeakPolarHBondContact O-CG 3.45Å; P225-R229 PolarHBondContact O-N 3.3Å; P225-R229 VanDerWaalsContact O-N 3.08Å; P225-L252 HydrophobicContact CB-CD2 4.01Å; P225-A255 HydrophobicContact CG-CB 3.55Å
226	D	89.6	Confident	87.8	Confident	107 Å²	107	66.1 Å²	66.1	57%	0.572	31%	0.309	S	S	*	.	H	α-helix	trans	-67.4	-43	177.7	-62.6	-30.2	0	0	0	110.9	N224 R229 E230	N224-D226 VanDerWaalsContact C-N 3.27Å; N224-D226 PolarHBondContact O-N 3.3Å; N224-D226 WeakPolarHBondContact OD1-CB 3.5Å; N224-D226 PolarHBondContact OD1-N 3.36Å; D226-R229 PolarHBondContact O-N 3.09Å; D226-R229 IonicContact OD1-CZ 2.87Å; D226-R229 IonicContact OD1-NH1 3.58Å; D226-R229 PolarHBondContact OD1-NH1 3.5Å; D226-R229 IonicContact OD1-NH2 2.95Å; D226-E230 PolarHBondContact O-N 2.97Å
227	Y	90.5	Very high	87.2	Confident	61 Å²	61	63.1 Å²	63.1	24%	0.239	30%	0.302	C	S	.	.	H	α-helix	trans	-63	-43.3	175.5	-167.4	-96.7	0	0	0	111.5	E186 L189 D190 V223 N224 R229 E230 A231	E186-Y227 HydrophobicContact CB-CD1 4.03Å; E186-Y227 HydrophobicContact CB-CE1 3.86Å; E186-Y227 HydrophobicContact CG-CD1 3.46Å; E186-Y227 VanDerWaalsContact CG-CD1 3.46Å; E186-Y227 HydrophobicContact CG-CD2 4.37Å; E186-Y227 HydrophobicContact CG-CE1 3.84Å; E186-Y227 HydrophobicContact CG-CG 3.76Å; L189-Y227 HydrophobicContact CD2-CD1 4.5Å; L189-Y227 HydrophobicContact CD2-CE1 4.39Å; D190-Y227 PolarHBondContact OD1-OH 3.19Å; D190-Y227 PolarHBondContact OD2-OH 3.41Å; V223-Y227 HydrophobicContact CG1-CD1 4.12Å; N224-Y227 WeakPolarHBondContact O-CB 3.45Å; N224-Y227 PolarHBondContact O-N 2.97Å; N224-Y227 VanDerWaalsContact O-N 3.08Å; Y227-R229 PolarHBondContact O-N 3.44Å; Y227-E230 WeakPolarHBondContact O-CB 3.36Å; Y227-E230 PolarHBondContact O-N 2.88Å; Y227-A231 WeakPolarHBondContact O-CB 3.49Å; Y227-A231 PolarHBondContact O-N 3.13Å
228	L	88.4	Confident	86.6	Confident	2 Å²	2	59.3 Å²	59.3	1%	0.01	29%	0.286	C	S	.	.	H	α-helix	trans	-62.1	-43.7	179.8	-163.4	63	0	0	0	111.7	L189 L220 V223 N224 P225 E230 A231 M232 L248 A251 L252	L189-L228 HydrophobicContact CD2-CD1 3.9Å; L220-L228 HydrophobicContact CD2-CD1 4.2Å; V223-L228 HydrophobicContact CG1-CB 4.18Å; V223-L228 HydrophobicContact CG1-CD1 4.11Å; N224-L228 PolarHBondContact O-N 3.38Å; P225-L228 PolarHBondContact O-N 3.09Å; L228-E230 VanDerWaalsContact C-N 3.32Å; L228-E230 PolarHBondContact O-N 2.88Å; L228-A231 PolarHBondContact O-N 3.33Å; L228-M232 VanDerWaalsContact O-CG 3.32Å; L228-M232 WeakPolarHBondContact O-CG 3.46Å; L228-M232 PolarHBondContact O-N 3Å; L228-L248 HydrophobicContact CD1-CD2 3.42Å; L228-L248 VanDerWaalsContact CD1-CD2 3.42Å; L228-L248 HydrophobicContact CD2-CD2 4.1Å; L228-L248 HydrophobicContact CG-CD2 3.88Å; L228-A251 HydrophobicContact CD2-CB 4.04Å; L228-L252 HydrophobicContact CB-CD2 4.35Å; L228-L252 HydrophobicContact CD2-CD2 4.02Å; L228-L252 HydrophobicContact CD2-CG 4.04Å
229	R	88.4	Confident	85.9	Confident	109 Å²	109	63.1 Å²	63.1	41%	0.411	31%	0.306	S	S	.	.	H	α-helix	trans	-63.7	-37.4	175	-70	-173.9	-135	100	-1.4	112.2	P225 D226 Y227 R233 L252	P225-R229 WeakPolarHBondContact O-CG 3.45Å; P225-R229 PolarHBondContact O-N 3.3Å; P225-R229 VanDerWaalsContact O-N 3.08Å; D226-R229 PolarHBondContact O-N 3.09Å; D226-R229 IonicContact OD1-CZ 2.87Å; D226-R229 IonicContact OD1-NH1 3.58Å; D226-R229 PolarHBondContact OD1-NH1 3.5Å; D226-R229 IonicContact OD1-NH2 2.95Å; Y227-R229 PolarHBondContact O-N 3.44Å; R229-R233 WeakPolarHBondContact O-CG 3.1Å; R229-R233 PolarHBondContact O-N 3.14Å; R229-L252 HydrophobicContact CG-CD1 4.18Å; R229-L252 HydrophobicContact CG-CD2 4.03Å
230	E	88.6	Confident	85.3	Confident	78 Å²	78	65.8 Å²	65.8	36%	0.364	34%	0.335	S	S	.	.	H	α-helix	trans	-66.9	-43.4	175.2	-172.9	173.1	-163.1	0	0	111.8	D226 Y227 L228 M232 R233 R234	D226-E230 PolarHBondContact O-N 2.97Å; Y227-E230 WeakPolarHBondContact O-CB 3.36Å; Y227-E230 PolarHBondContact O-N 2.88Å; L228-E230 VanDerWaalsContact C-N 3.32Å; L228-E230 PolarHBondContact O-N 2.88Å; E230-M232 VanDerWaalsContact C-N 3.33Å; E230-M232 PolarHBondContact O-N 2.82Å; E230-R233 PolarHBondContact O-N 2.98Å; E230-R233 VanDerWaalsContact O-N 3.17Å; E230-R234 WeakPolarHBondContact O-CG 3.23Å; E230-R234 PolarHBondContact O-N 2.97Å; E230-R234 IonicContact OE1-CZ 2.88Å; E230-R234 IonicContact OE1-NE 3.35Å; E230-R234 IonicContact OE1-NH1 2.6Å; E230-R234 PolarHBondContact OE1-NH1 3.29Å; E230-R234 IonicContact OE1-NH2 2.94Å; E230-R234 PolarHBondContact OE1-NH2 2.93Å
231	A	86.3	Confident	85.1	Confident	7 Å²	7	67.8 Å²	67.8	6%	0.058	35%	0.346	C	S	.	.	H	α-helix	trans	-60.4	-41	176	0	0	0	0	0	112	L189 L193 Y227 L228 R233 R234 N235	L189-A231 HydrophobicContact CD2-CB 4.24Å; L193-A231 HydrophobicContact CD1-CB 4.33Å; Y227-A231 WeakPolarHBondContact O-CB 3.49Å; Y227-A231 PolarHBondContact O-N 3.13Å; L228-A231 PolarHBondContact O-N 3.33Å; A231-R233 PolarHBondContact O-N 3.27Å; A231-R234 PolarHBondContact O-N 3.45Å; A231-N235 PolarHBondContact O-N 3.48Å; A231-N235 VanDerWaalsContact O-N 3.12Å; A231-N235 PolarHBondContact O-ND2 3.01Å
232	M	86.2	Confident	85	Confident	24 Å²	24	68.6 Å²	68.6	12%	0.118	36%	0.357	C	S	.	.	H	α-helix	trans	-60.2	-41.5	173.8	-73.5	174.2	81.3	0	0	112.7	L228 E230 L239 L248 L252	L228-M232 VanDerWaalsContact O-CG 3.32Å; L228-M232 WeakPolarHBondContact O-CG 3.46Å; L228-M232 PolarHBondContact O-N 3Å; E230-M232 VanDerWaalsContact C-N 3.33Å; E230-M232 PolarHBondContact O-N 2.82Å; M232-L239 HydrophobicContact CE-CD2 4.34Å; M232-L239 WeakPolarHBondContact O-CD1 3.32Å; M232-L248 HydrophobicContact CE-CB 4.2Å; M232-L248 HydrophobicContact CE-CD1 4.34Å; M232-L248 HydrophobicContact CG-CD1 3.81Å; M232-L248 HydrophobicContact SD-CB 4.05Å; M232-L248 HydrophobicContact SD-CD1 4.28Å; M232-L252 HydrophobicContact SD-CD1 4.16Å
233	R	85.4	Confident	85.2	Confident	212 Å²	212	69.9 Å²	69.9	80%	0.8	36%	0.362	S	S	*	.	H	α-helix	trans	-69.7	-34.3	179.1	-71.6	174.8	-178.2	-176.9	1.3	112.6	R229 E230 A231	R229-R233 WeakPolarHBondContact O-CG 3.1Å; R229-R233 PolarHBondContact O-N 3.14Å; E230-R233 PolarHBondContact O-N 2.98Å; E230-R233 VanDerWaalsContact O-N 3.17Å; A231-R233 PolarHBondContact O-N 3.27Å
234	R	84.8	Confident	85.1	Confident	176 Å²	176	69.6 Å²	69.6	66%	0.664	36%	0.36	S	S	*	.	H	α-helix	trans	-83.1	-24.9	-175.1	-73.5	-179.1	172.4	170.9	2.6	114	E230 A231	E230-R234 WeakPolarHBondContact O-CG 3.23Å; E230-R234 PolarHBondContact O-N 2.97Å; E230-R234 IonicContact OE1-CZ 2.88Å; E230-R234 IonicContact OE1-NE 3.35Å; E230-R234 IonicContact OE1-NH1 2.6Å; E230-R234 PolarHBondContact OE1-NH1 3.29Å; E230-R234 IonicContact OE1-NH2 2.94Å; E230-R234 PolarHBondContact OE1-NH2 2.93Å; A231-R234 PolarHBondContact O-N 3.45Å
235	N	81.3	Confident	84.9	Confident	36 Å²	36	69.3 Å²	69.3	19%	0.193	36%	0.359	C	S	.	.			trans	-118.3	102.8	-172.5	-61	-78.5	0	0	0	110.9	L193 A231 A237 L238	L193-N235 HydrophobicContact CD2-CB 4.28Å; A231-N235 PolarHBondContact O-N 3.48Å; A231-N235 VanDerWaalsContact O-N 3.12Å; A231-N235 PolarHBondContact O-ND2 3.01Å; N235-A237 PolarHBondContact O-N 3.23Å; N235-L238 HydrophobicContact CB-CD1 4.01Å; N235-L238 HydrophobicContact CB-CG 4.13Å; N235-L238 PolarHBondContact O-N 3.47Å
236	T	80.1	Confident	85	Confident	118 Å²	118	73 Å²	73	72%	0.724	37%	0.373	S	S	*	.	H	α-helix	trans	-62	-28.6	178.7	51.1	0	0	0	0	112.8	L238 L239 A240	T236-L238 VanDerWaalsContact C-N 3.28Å; T236-L238 PolarHBondContact O-N 2.81Å; T236-L239 PolarHBondContact O-N 3.46Å; T236-L239 VanDerWaalsContact O-N 3.11Å; T236-A240 PolarHBondContact O-N 2.96Å
237	A	77.7	Confident	84.8	Confident	33 Å²	33	69.4 Å²	69.4	27%	0.273	35%	0.352	S	S	.	.	H	α-helix	trans	-60.5	-33.9	176.2	0	0	0	0	0	113.3	V196 L211 N235 L239	V196-A237 HydrophobicContact CG1-CB 4.34Å; L211-A237 HydrophobicContact CD2-CB 4.02Å; N235-A237 PolarHBondContact O-N 3.23Å; A237-L239 VanDerWaalsContact C-N 3.31Å
238	L	79.7	Confident	84.7	Confident	1 Å²	1	66.5 Å²	66.5	1%	0.005	34%	0.341	C	S	.	.	H	α-helix	trans	-71.2	-27.6	176.5	-68.5	174.7	0	0	0	112.7	L193 L211 L215 N235 T236 L248	L193-L238 HydrophobicContact CD1-CD1 4.49Å; L193-L238 HydrophobicContact CD2-CD1 3.8Å; L193-L238 HydrophobicContact CD2-CD2 3.93Å; L193-L238 HydrophobicContact CD2-CG 3.83Å; L211-L238 HydrophobicContact CD1-CD2 4.26Å; L211-L238 HydrophobicContact CD2-CD2 4.09Å; L211-L238 HydrophobicContact CG-CD2 4.5Å; L215-L238 HydrophobicContact CD2-CD2 4.13Å; N235-L238 HydrophobicContact CB-CD1 4.01Å; N235-L238 HydrophobicContact CB-CG 4.13Å; N235-L238 PolarHBondContact O-N 3.47Å; T236-L238 VanDerWaalsContact C-N 3.28Å; T236-L238 PolarHBondContact O-N 2.81Å; L238-L248 HydrophobicContact CB-CD1 4.16Å; L238-L248 HydrophobicContact CD1-CD1 4.34Å; L238-L248 HydrophobicContact CD2-CD1 4.25Å
239	L	78.2	Confident	84.6	Confident	87 Å²	87	69.4 Å²	69.4	46%	0.455	36%	0.357	S	S	.	.	H	α-helix	trans	-89.1	-23.5	-179.3	-62.5	176.8	0	0	0	112.6	M232 T236 A237 L245	M232-L239 HydrophobicContact CE-CD2 4.34Å; M232-L239 WeakPolarHBondContact O-CD1 3.32Å; T236-L239 PolarHBondContact O-N 3.46Å; T236-L239 VanDerWaalsContact O-N 3.11Å; A237-L239 VanDerWaalsContact C-N 3.31Å; L239-L245 HydrophobicContact CD2-CD1 4.09Å
240	A	78.6	Confident	84.5	Confident	89 Å²	89	69.2 Å²	69.2	74%	0.736	36%	0.36	S	S	*	.	H	α-helix	trans	-75.2	-27.6	-179.4	0	0	0	0	0	112.9	T236	T236-A240 PolarHBondContact O-N 2.96Å
241	D	84	Confident	84.4	Confident	53 Å²	53	65.8 Å²	65.8	28%	0.283	35%	0.345	S	S	.	.			trans	-100.6	125.1	-178.2	-174.2	-85.6	0	0	0	111.5	E243 C244 L245	D241-E243 WeakPolarHBondContact OD1-CB 3.4Å; D241-E243 PolarHBondContact OD1-N 3.19Å; D241-C244 HydrophobicContact CB-CB 4.07Å; D241-C244 PolarHBondContact OD1-N 3.09Å; D241-C244 PolarHBondContact OD1-SG 3.25Å; D241-L245 PolarHBondContact O-N 3.35Å; D241-L245 VanDerWaalsContact O-N 3.14Å
242	A	85.1	Confident	84.3	Confident	81 Å²	81	67 Å²	67	67%	0.669	35%	0.351	S	S	*	.	H	α-helix	trans	-68.9	-35.2	-175.5	0	0	0	0	0	113.1	L245 E246	A242-L245 PolarHBondContact O-N 3.31Å; A242-E246 WeakPolarHBondContact O-CB 3.38Å; A242-E246 PolarHBondContact O-N 3.09Å
243	E	89.5	Confident	84.2	Confident	83 Å²	83	71.8 Å²	71.8	39%	0.388	37%	0.373	S	S	.	.	H	α-helix	trans	-69	-41.8	179.5	-166.5	-176.8	172.9	0	0	110.1	P212 K216 D241 E246 M247	P212-E243 HydrophobicContact CB-CB 4.47Å; P212-E243 HydrophobicContact CB-CG 4.48Å; K216-E243 WeakPolarHBondContact CE-OE1 3.4Å; K216-E243 IonicContact NZ-OE1 3.2Å; K216-E243 PolarHBondContact NZ-OE1 3.07Å; D241-E243 WeakPolarHBondContact OD1-CB 3.4Å; D241-E243 PolarHBondContact OD1-N 3.19Å; E243-E246 PolarHBondContact O-N 3.47Å; E243-M247 HydrophobicContact CG-CE 4.18Å; E243-M247 WeakPolarHBondContact O-CE 3.27Å; E243-M247 WeakPolarHBondContact O-CG 3.35Å; E243-M247 PolarHBondContact O-N 2.85Å
244	C	87.2	Confident	83.9	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-59.8	-46.9	174	-65	0	0	0	0	112	L215 D241 E246 M247 L248	L215-C244 HydrophobicContact CD2-CB 3.98Å; D241-C244 HydrophobicContact CB-CB 4.07Å; D241-C244 PolarHBondContact OD1-N 3.09Å; D241-C244 PolarHBondContact OD1-SG 3.25Å; C244-E246 VanDerWaalsContact C-N 3.34Å; C244-E246 PolarHBondContact O-N 3.05Å; C244-M247 PolarHBondContact O-N 3.23Å; C244-L248 WeakPolarHBondContact O-CD1 3.49Å; C244-L248 WeakPolarHBondContact O-CG 3.31Å; C244-L248 PolarHBondContact O-N 3.13Å
245	L	86.1	Confident	83.4	Confident	62 Å²	62	57.5 Å²	57.5	33%	0.325	34%	0.338	S	S	.	.	H	α-helix	trans	-64.7	-38.9	-179.4	-170.5	140.5	0	0	0	112	L239 D241 A242 L248 N249	L239-L245 HydrophobicContact CD2-CD1 4.09Å; D241-L245 PolarHBondContact O-N 3.35Å; D241-L245 VanDerWaalsContact O-N 3.14Å; A242-L245 PolarHBondContact O-N 3.31Å; L245-L248 PolarHBondContact O-N 3.23Å; L245-N249 VanDerWaalsContact CD2-ND2 3.3Å; L245-N249 WeakPolarHBondContact CD2-ND2 3.49Å; L245-N249 PolarHBondContact O-N 3.49Å; L245-N249 PolarHBondContact O-ND2 2.88Å
246	E	88.4	Confident	83	Confident	115 Å²	115	61.1 Å²	61.1	54%	0.537	36%	0.361	S	S	.	.	H	α-helix	trans	-62.7	-48.4	174.4	-168.8	-178.1	168.4	0	0	111.7	A242 E243 C244 L248 N249 Q250	A242-E246 WeakPolarHBondContact O-CB 3.38Å; A242-E246 PolarHBondContact O-N 3.09Å; E243-E246 PolarHBondContact O-N 3.47Å; C244-E246 VanDerWaalsContact C-N 3.34Å; C244-E246 PolarHBondContact O-N 3.05Å; E246-L248 VanDerWaalsContact C-N 3.29Å; E246-L248 PolarHBondContact O-N 3.18Å; E246-N249 PolarHBondContact O-N 2.82Å; E246-Q250 WeakPolarHBondContact O-CG 3.5Å; E246-Q250 PolarHBondContact O-N 3.41Å; E246-Q250 PolarHBondContact OE1-NE2 2.76Å
247	M	86.9	Confident	82.3	Confident	30 Å²	30	61.3 Å²	61.3	15%	0.148	36%	0.355	C	S	.	.	H	α-helix	trans	-59.1	-38.8	178.4	-73.5	-173.4	-73	0	0	112.7	P212 L215 K216 L220 E243 C244 A251	P212-M247 HydrophobicContact CB-CE 4.32Å; L215-M247 HydrophobicContact CB-CE 4.15Å; L215-M247 HydrophobicContact CD2-CE 3.94Å; L215-M247 HydrophobicContact CG-CE 4.3Å; K216-M247 HydrophobicContact CG-SD 3.76Å; L220-M247 HydrophobicContact CD1-CB 3.98Å; E243-M247 HydrophobicContact CG-CE 4.18Å; E243-M247 WeakPolarHBondContact O-CE 3.27Å; E243-M247 WeakPolarHBondContact O-CG 3.35Å; E243-M247 PolarHBondContact O-N 2.85Å; C244-M247 PolarHBondContact O-N 3.23Å; M247-A251 PolarHBondContact O-N 3.34Å; M247-A251 VanDerWaalsContact O-N 3.1Å
248	L	86.9	Confident	81.3	Confident	1 Å²	1	67 Å²	67	1%	0.005	38%	0.376	C	S	.	.	H	α-helix	trans	-69.8	-42.5	178.7	-67.1	166.2	0	0	0	111.9	L215 L220 L228 M232 L238 C244 L245 E246 A251 L252	L215-L248 HydrophobicContact CD2-CG 4.46Å; L220-L248 HydrophobicContact CD1-CD2 4.14Å; L220-L248 HydrophobicContact CD2-CD2 4.09Å; L228-L248 HydrophobicContact CD1-CD2 3.42Å; L228-L248 VanDerWaalsContact CD1-CD2 3.42Å; L228-L248 HydrophobicContact CD2-CD2 4.1Å; L228-L248 HydrophobicContact CG-CD2 3.88Å; M232-L248 HydrophobicContact CE-CB 4.2Å; M232-L248 HydrophobicContact CE-CD1 4.34Å; M232-L248 HydrophobicContact CG-CD1 3.81Å; M232-L248 HydrophobicContact SD-CB 4.05Å; M232-L248 HydrophobicContact SD-CD1 4.28Å; L238-L248 HydrophobicContact CB-CD1 4.16Å; L238-L248 HydrophobicContact CD1-CD1 4.34Å; L238-L248 HydrophobicContact CD2-CD1 4.25Å; C244-L248 WeakPolarHBondContact O-CD1 3.49Å; C244-L248 WeakPolarHBondContact O-CG 3.31Å; C244-L248 PolarHBondContact O-N 3.13Å; L245-L248 PolarHBondContact O-N 3.23Å; E246-L248 VanDerWaalsContact C-N 3.29Å; E246-L248 PolarHBondContact O-N 3.18Å; L248-A251 PolarHBondContact O-N 3.42Å; L248-L252 WeakPolarHBondContact O-CG 3.37Å; L248-L252 PolarHBondContact O-N 2.96Å
249	N	87.2	Confident	80.1	Confident	63 Å²	63	72.7 Å²	72.7	34%	0.337	41%	0.413	S	S	.	.	H	α-helix	trans	-63.7	-43.2	176.1	-73.3	-25.5	0	0	0	111.4	L245 E246 A251 L252 E253	L245-N249 VanDerWaalsContact CD2-ND2 3.3Å; L245-N249 WeakPolarHBondContact CD2-ND2 3.49Å; L245-N249 PolarHBondContact O-N 3.49Å; L245-N249 PolarHBondContact O-ND2 2.88Å; E246-N249 PolarHBondContact O-N 2.82Å; N249-A251 VanDerWaalsContact C-N 3.28Å; N249-A251 PolarHBondContact O-N 3.23Å; N249-L252 PolarHBondContact O-N 3.43Å; N249-E253 WeakPolarHBondContact O-CG 3.44Å; N249-E253 PolarHBondContact O-N 3.2Å
250	Q	86.5	Confident	78.6	Confident	104 Å²	104	74.2 Å²	74.2	49%	0.486	43%	0.431	S	S	.	.	H	α-helix	trans	-58.5	-40.2	174.4	-72	176.5	7.5	0	0	112	E246 A254	E246-Q250 WeakPolarHBondContact O-CG 3.5Å; E246-Q250 PolarHBondContact O-N 3.41Å; E246-Q250 PolarHBondContact OE1-NE2 2.76Å; Q250-A254 WeakPolarHBondContact O-CB 3.06Å; Q250-A254 PolarHBondContact O-N 2.95Å
251	A	85.5	Confident	77	Confident	6 Å²	6	73.2 Å²	73.2	5%	0.05	42%	0.422	C	S	.	.	H	α-helix	trans	-67.5	-39.8	176.9	0	0	0	0	0	112.6	L220 L228 M247 L248 N249 A254 A255	L220-A251 HydrophobicContact CB-CB 3.57Å; L228-A251 HydrophobicContact CD2-CB 4.04Å; M247-A251 PolarHBondContact O-N 3.34Å; M247-A251 VanDerWaalsContact O-N 3.1Å; L248-A251 PolarHBondContact O-N 3.42Å; N249-A251 VanDerWaalsContact C-N 3.28Å; N249-A251 PolarHBondContact O-N 3.23Å; A251-A254 PolarHBondContact O-N 3.01Å; A251-A255 PolarHBondContact O-N 3.45Å
252	L	85.3	Confident	75.2	Confident	32 Å²	32	73.9 Å²	73.9	17%	0.168	44%	0.435	C	S	.	.	H	α-helix	trans	-65.2	-42	175.3	-71.2	172.2	0	0	0	111.7	P225 L228 R229 M232 L248 N249 A255 T256	P225-L252 HydrophobicContact CB-CD2 4.01Å; L228-L252 HydrophobicContact CB-CD2 4.35Å; L228-L252 HydrophobicContact CD2-CD2 4.02Å; L228-L252 HydrophobicContact CD2-CG 4.04Å; R229-L252 HydrophobicContact CG-CD1 4.18Å; R229-L252 HydrophobicContact CG-CD2 4.03Å; M232-L252 HydrophobicContact SD-CD1 4.16Å; L248-L252 WeakPolarHBondContact O-CG 3.37Å; L248-L252 PolarHBondContact O-N 2.96Å; N249-L252 PolarHBondContact O-N 3.43Å; L252-A255 PolarHBondContact O-N 3.46Å; L252-T256 PolarHBondContact O-N 3.36Å
253	E	84.4	Confident	73.3	Confident	126 Å²	126	75.3 Å²	75.3	59%	0.589	44%	0.438	S	S	*	.	H	α-helix	trans	-62.6	-46	174.5	-73.1	176.7	-175.3	0	0	111.2	N249 A255 T256 M257	N249-E253 WeakPolarHBondContact O-CG 3.44Å; N249-E253 PolarHBondContact O-N 3.2Å; E253-A255 PolarHBondContact O-N 3.2Å; E253-T256 PolarHBondContact O-N 3.09Å; E253-T256 PolarHBondContact O-OG1 2.9Å; E253-M257 PolarHBondContact O-N 2.88Å
254	A	78.9	Confident	71.6	Confident	39 Å²	39	82.3 Å²	82.3	32%	0.322	46%	0.461	S	S	.	.	H	α-helix	trans	-59.1	-35	176.9	0	0	0	0	0	112.7	Q250 A251 T256 M257	Q250-A254 WeakPolarHBondContact O-CB 3.06Å; Q250-A254 PolarHBondContact O-N 2.95Å; A251-A254 PolarHBondContact O-N 3.01Å; A254-T256 VanDerWaalsContact C-N 3.29Å; A254-T256 PolarHBondContact O-N 3.48Å; A254-M257 PolarHBondContact O-N 3.19Å
255	A	73.8	Confident	70.5	Confident	48 Å²	48	92.7 Å²	92.7	40%	0.397	51%	0.506	S	S	.	.	H	α-helix	trans	-70.6	-21.7	176.5	0	0	0	0	0	113.8	P225 A251 L252 E253	P225-A255 HydrophobicContact CG-CB 3.55Å; A251-A255 PolarHBondContact O-N 3.45Å; L252-A255 PolarHBondContact O-N 3.46Å; E253-A255 PolarHBondContact O-N 3.2Å
256	T	72.4	Confident	69.9	Low	112 Å²	112	93.4 Å²	93.4	69%	0.687	51%	0.51	S	S	*	.	H	α-helix	trans	-84.3	-14.5	174.8	63.2	0	0	0	0	113.7	L252 E253 A254	L252-T256 PolarHBondContact O-N 3.36Å; E253-T256 PolarHBondContact O-N 3.09Å; E253-T256 PolarHBondContact O-OG1 2.9Å; A254-T256 VanDerWaalsContact C-N 3.29Å; A254-T256 PolarHBondContact O-N 3.48Å
257	M	66.8	Low	69.6	Low	122 Å²	122	93.2 Å²	93.2	60%	0.601	51%	0.507	S	S	*	.	S	Bend	trans	-83.4	144.3	178.8	-65.9	-69.8	158.9	0	0	111.1	E253 A254	E253-M257 PolarHBondContact O-N 2.88Å; A254-M257 PolarHBondContact O-N 3.19Å
258	H	55.6	Low	69.6	Low	153 Å²	153	94.6 Å²	94.6	71%	0.708	52%	0.515	S	S	*	.			trans	-57.5	144.1	177.3	-90.8	-71.3	0	0	0	111.9	S260 A261	H258-S260 PolarHBondContact O-N 3.28Å; H258-A261 PolarHBondContact O-N 3.4Å
259	P	53.9	Low	69.6	Low	121 Å²	121	94.6 Å²	94.6	79%	0.786	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-13.8	-174.9	20.3	-31.2	0	0	0	115.1
260	S	48.6	Very low	69.6	Low	119 Å²	119	94 Å²	94	83%	0.832	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-12.9	173.6	61.6	0	0	0	0	114.4	H258	H258-S260 PolarHBondContact O-N 3.28Å
261	A	44	Very low	69.4	Low	67 Å²	67	89.8 Å²	89.8	55%	0.554	49%	0.492	S	S	*	.	S	Bend	trans	-107.8	2.6	-176.6	0	0	0	0	0	113.6	H258	H258-A261 PolarHBondContact O-N 3.4Å
262	A	46.1	Very low	69.3	Low	67 Å²	67	91.4 Å²	91.4	55%	0.554	50%	0.499	S	S	*	.			trans	-64.8	125.1	-176.8	0	0	0	0	0	111.6	R264	A262-R264 PolarHBondContact O-N 3.37Å
263	P	46.1	Very low	69.1	Low	111 Å²	111	92.6 Å²	92.6	72%	0.721	50%	0.504	S	S	*	.	S	Bend	trans	-72.1	116.5	179.7	28.2	-30.7	0	0	0	109.5
264	R	54	Low	69.2	Low	230 Å²	230	90.9 Å²	90.9	87%	0.868	50%	0.502	S	S	*	.	S	Bend	trans	62.6	124.5	-179.9	-64.5	176.4	169.1	167.6	-2.8	114.1	A262 L266	A262-R264 PolarHBondContact O-N 3.37Å; R264-L266 PolarHBondContact O-N 3.32Å
265	K	64	Low	69.7	Low	218 Å²	218	90 Å²	90	95%	0.948	49%	0.493	S	S	*	.			trans	-61.9	95.8	173.2	-150.6	175.6	-170.3	179.9	0	108.6	K267	K265-K267 PolarHBondContact O-N 3.31Å
266	L	73.6	Confident	70.6	Confident	77 Å²	77	91.2 Å²	91.2	40%	0.403	49%	0.493	S	S	.	.	P	Polyproline II helix	trans	-58.6	130.3	177.6	-71	169.6	0	0	0	108.5	P221 L222 R264 L268	P221-L266 HydrophobicContact CB-CD1 3.78Å; P221-L266 HydrophobicContact CG-CD1 3.88Å; L222-L266 HydrophobicContact CD1-CB 4.47Å; L222-L266 HydrophobicContact CD2-CD1 4.45Å; L222-L266 HydrophobicContact CG-CD1 4.18Å; R264-L266 PolarHBondContact O-N 3.32Å; L266-L268 PolarHBondContact O-N 2.89Å
267	K	81.6	Confident	71.7	Confident	111 Å²	111	85.9 Å²	85.9	48%	0.483	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-72.2	128.9	177.3	-171.4	168.8	168.4	-154.8	0	108.3	D178 R219 K265	D178-K267 WeakPolarHBondContact OD2-CD 3.49Å; D178-K267 WeakPolarHBondContact OD2-CE 3.46Å; D178-K267 IonicContact OD2-NZ 3.76Å; D178-K267 PolarHBondContact OD2-NZ 3.49Å; R219-K267 WeakPolarHBondContact CD-O 3.3Å; R219-K267 PolarHBondContact NE-O 2.97Å; R219-K267 VanDerWaalsContact NE-O 3.09Å; R219-K267 PolarHBondContact NH1-O 3.16Å; R219-K267 PolarHBondContact NH2-O 2.69Å; K265-K267 PolarHBondContact O-N 3.31Å
268	L	86	Confident	73.1	Confident	59 Å²	59	80.1 Å²	80.1	31%	0.309	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-73.5	152.2	177.9	-66.4	-179.7	0	0	0	111.2	R219 L222 L266 M272 E273 R608	R219-L268 VanDerWaalsContact NH1-C 3.3Å; L222-L268 HydrophobicContact CD1-CD2 3.79Å; L222-L268 HydrophobicContact CD2-CD2 4.29Å; L266-L268 PolarHBondContact O-N 2.89Å; L268-M272 HydrophobicContact CB-CB 4.06Å; L268-M272 HydrophobicContact CD2-CB 4.4Å; L268-M272 HydrophobicContact CD2-CE 4.08Å; L268-M272 HydrophobicContact CD2-SD 4.36Å; L268-E273 HydrophobicContact CB-CB 4.47Å; L268-R608 PolarHBondContact O-NH1 3.03Å; L268-R608 PolarHBondContact O-NH2 3.34Å
269	R	88.1	Confident	75	Confident	2 Å²	2	72.8 Å²	72.8	1%	0.008	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-70.7	159.4	169.8	-60.2	-161.6	-177.5	-108.4	3.3	108.5	L175 S177 D178 E185 K217 G271 M272 E273	L175-R269 PolarHBondContact O-NH1 3.27Å; L175-R269 PolarHBondContact O-NH2 2.81Å; S177-R269 PolarHBondContact O-NH1 3.17Å; D178-R269 CarbonylContact O-C 3.58Å; D178-R269 WeakPolarHBondContact O-CA 3.37Å; E185-R269 IonicContact OE1-CZ 3.86Å; E185-R269 IonicContact OE1-NE 3.53Å; E185-R269 PolarHBondContact OE1-NE 3.06Å; E185-R269 IonicContact OE1-NH2 2.92Å; E185-R269 PolarHBondContact OE1-NH2 2.73Å; E185-R269 IonicContact OE2-CZ 2.65Å; E185-R269 IonicContact OE2-NE 3.66Å; E185-R269 PolarHBondContact OE2-NE 2.95Å; E185-R269 IonicContact OE2-NH2 3.69Å; K217-R269 PolarHBondContact O-NH2 3.42Å; K217-R269 VanDerWaalsContact O-NH2 3.16Å; R269-G271 VanDerWaalsContact C-N 3.33Å; R269-G271 PolarHBondContact O-N 3.17Å; R269-M272 HydrophobicContact CB-CG 4.05Å; R269-M272 HydrophobicContact CB-SD 3.9Å; R269-M272 HydrophobicContact CG-SD 4.01Å; R269-M272 WeakPolarHBondContact O-CB 3.35Å; R269-M272 PolarHBondContact O-N 3.33Å; R269-E273 PolarHBondContact O-N 3.4Å
270	Y	86.1	Confident	76.8	Confident	51 Å²	51	67.1 Å²	67.1	20%	0.2	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-49.4	-53	179	-177.9	-89.3	0	0	0	111.7	D178 L180 N181 M272 E273 N606 R608	D178-Y270 PolarHBondContact O-N 2.93Å; L180-Y270 PolarHBondContact O-N 3.44Å; N181-Y270 HydrophobicContact CB-CD1 4.18Å; Y270-M272 PolarHBondContact O-N 3.17Å; Y270-E273 PolarHBondContact O-N 2.88Å; Y270-N606 VanDerWaalsContact CD2-ND2 3.28Å; Y270-N606 WeakPolarHBondContact CD2-ND2 3.39Å; Y270-N606 HydrophobicContact CE2-CB 4.43Å; Y270-N606 WeakPolarHBondContact CE2-ND2 3.38Å; Y270-N606 PolarHBondContact O-ND2 2.79Å; Y270-R608 HydrophobicContact CD2-CB 4.11Å; Y270-R608 HydrophobicContact CE2-CB 4.04Å
271	G	81.9	Confident	78.8	Confident	14 Å²	14	61.5 Å²	61.5	14%	0.144	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-66.5	-9.8	-178.2	0	0	0	0	0	115.8	L180 N181 V182 R269	L180-G271 PolarHBondContact O-N 2.88Å; N181-G271 WeakPolarHBondContact OD1-CA 3.35Å; V182-G271 CarbonylContact O-C 3.56Å; V182-G271 WeakPolarHBondContact O-CA 3.19Å; R269-G271 VanDerWaalsContact C-N 3.33Å; R269-G271 PolarHBondContact O-N 3.17Å
272	M	83.5	Confident	80.5	Confident	41 Å²	41	58.8 Å²	58.8	20%	0.202	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-95.9	-13.7	-178.3	-55	175	78.9	0	0	113	V182 L222 L268 R269 Y270	V182-M272 WeakPolarHBondContact O-CG 3.48Å; V182-M272 PolarHBondContact O-N 2.81Å; L222-M272 HydrophobicContact CB-CE 4.24Å; L222-M272 HydrophobicContact CD1-CE 3.97Å; L222-M272 HydrophobicContact CD1-SD 4.48Å; L268-M272 HydrophobicContact CB-CB 4.06Å; L268-M272 HydrophobicContact CD2-CB 4.4Å; L268-M272 HydrophobicContact CD2-CE 4.08Å; L268-M272 HydrophobicContact CD2-SD 4.36Å; R269-M272 HydrophobicContact CB-CG 4.05Å; R269-M272 HydrophobicContact CB-SD 3.9Å; R269-M272 HydrophobicContact CG-SD 4.01Å; R269-M272 WeakPolarHBondContact O-CB 3.35Å; R269-M272 PolarHBondContact O-N 3.33Å; Y270-M272 PolarHBondContact O-N 3.17Å
273	E	82.6	Confident	81.6	Confident	56 Å²	56	55.8 Å²	55.8	26%	0.262	27%	0.274	S	S	.	.			trans	-101.3	105.6	-177.3	-171.2	172.1	-174.5	0	0	109.5	L268 R269 Y270 N606 R608	L268-E273 HydrophobicContact CB-CB 4.47Å; R269-E273 PolarHBondContact O-N 3.4Å; Y270-E273 PolarHBondContact O-N 2.88Å; E273-N606 VanDerWaalsContact O-CA 3.28Å; E273-N606 WeakPolarHBondContact O-CA 3.35Å; E273-N606 WeakPolarHBondContact O-CB 3.39Å; E273-N606 PolarHBondContact O-ND2 3.14Å; E273-R608 IonicContact OE2-CZ 3.09Å; E273-R608 IonicContact OE2-NE 3.84Å; E273-R608 PolarHBondContact OE2-NE 2.9Å; E273-R608 IonicContact OE2-NH2 3.01Å; E273-R608 PolarHBondContact OE2-NH2 3.43Å
274	T	85.4	Confident	82.4	Confident	90 Å²	90	54.2 Å²	54.2	55%	0.552	26%	0.26	S	S	*	.			trans	-123.6	148.3	170.7	57.6	0	0	0	0	109.7
275	T	89.4	Confident	82.4	Confident	22 Å²	22	45.1 Å²	45.1	14%	0.135	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	134.7	176.2	-61.4	0	0	0	0	108	L277 A303 S305 S604 L605 P607	T275-L277 HydrophobicContact CG2-CD2 4.16Å; T275-L277 WeakPolarHBondContact O-CG 3.45Å; T275-L277 PolarHBondContact O-N 2.93Å; T275-A303 HydrophobicContact CG2-CB 4.07Å; T275-S305 WeakPolarHBondContact CG2-OG 3.23Å; T275-S604 WeakPolarHBondContact O-CA 3.36Å; T275-L605 PolarHBondContact N-O 3.21Å; T275-L605 PolarHBondContact O-N 3.01Å; T275-P607 WeakPolarHBondContact OG1-CG 3.29Å
276	D	93.9	Very high	82.3	Confident	73 Å²	73	36.4 Å²	36.4	39%	0.39	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	126.1	173.5	-63	-19.7	0	0	0	109.5	V551 S604	D276-V551 HydrophobicContact CB-CG1 3.84Å; D276-V551 HydrophobicContact CB-CG2 4.38Å; D276-S604 VanDerWaalsContact OD1-CB 3.23Å; D276-S604 WeakPolarHBondContact OD1-CB 3.46Å; D276-S604 PolarHBondContact OD1-OG 3.02Å
277	L	95.1	Very high	81.8	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	143.1	-173	-60.8	169.6	0	0	0	110.3	T275 L279 F302 A303 Y310 V602 A603 L605 L610	T275-L277 HydrophobicContact CG2-CD2 4.16Å; T275-L277 WeakPolarHBondContact O-CG 3.45Å; T275-L277 PolarHBondContact O-N 2.93Å; L277-L279 HydrophobicContact CB-CD2 4.2Å; L277-F302 CarbonylContact C-O 3.46Å; L277-F302 WeakPolarHBondContact CA-O 3.24Å; L277-A303 HydrophobicContact CD2-CB 3.4Å; L277-A303 VanDerWaalsContact CD2-CB 3.4Å; L277-Y310 HydrophobicContact CD2-CD2 4.31Å; L277-V602 WeakPolarHBondContact O-CA 3.41Å; L277-A603 PolarHBondContact N-O 2.84Å; L277-A603 PolarHBondContact O-N 3.26Å; L277-A603 VanDerWaalsContact O-N 3.13Å; L277-L605 HydrophobicContact CD1-CB 3.82Å; L277-L605 HydrophobicContact CD1-CD1 4.17Å; L277-L605 HydrophobicContact CD1-CG 4.34Å; L277-L610 HydrophobicContact CD1-CD1 3.33Å
278	L	96.3	Very high	81.3	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	114.5	164.1	-66.8	153.7	0	0	0	108.1	C301 F302 P304 V551 Y556 L601 V602	L278-C301 CarbonylContact O-C 3.52Å; L278-C301 VanDerWaalsContact O-CA 3.25Å; L278-C301 WeakPolarHBondContact O-CA 3.49Å; L278-F302 HydrophobicContact CB-CB 4.46Å; L278-F302 HydrophobicContact CD1-CD1 4.13Å; L278-F302 PolarHBondContact N-O 2.95Å; L278-F302 PolarHBondContact O-N 2.99Å; L278-P304 HydrophobicContact CD1-CG 3.68Å; L278-P304 HydrophobicContact CG-CG 4.41Å; L278-V551 HydrophobicContact CD2-CG2 4.35Å; L278-V551 HydrophobicContact CG-CG2 4.13Å; L278-Y556 HydrophobicContact CD1-CD1 4.3Å; L278-Y556 HydrophobicContact CD1-CD2 4.03Å; L278-Y556 HydrophobicContact CD1-CG 3.63Å; L278-L601 CarbonylContact C-O 3.58Å; L278-L601 WeakPolarHBondContact CA-O 3.44Å; L278-V602 HydrophobicContact CD2-CG2 3.85Å
279	L	94.9	Very high	80.7	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	107.6	-177.6	-58.4	174.7	0	0	0	109.5	L277 V281 C301 I312 I335 C600 L601 A603 L605	L277-L279 HydrophobicContact CB-CD2 4.2Å; L279-V281 HydrophobicContact CB-CG2 4.14Å; L279-V281 PolarHBondContact O-N 3.02Å; L279-C301 HydrophobicContact CD2-CB 3.98Å; L279-C301 WeakPolarHBondContact CD2-SG 3.31Å; L279-I312 HydrophobicContact CD2-CD1 4.26Å; L279-I335 HydrophobicContact CD1-CD1 3.51Å; L279-I335 HydrophobicContact CD1-CG1 3.92Å; L279-I335 HydrophobicContact CD1-CG2 4.31Å; L279-C600 CarbonylContact O-C 3.5Å; L279-C600 VanDerWaalsContact O-CA 3.25Å; L279-C600 WeakPolarHBondContact O-CA 3.31Å; L279-L601 HydrophobicContact CB-CB 4.27Å; L279-L601 PolarHBondContact N-O 2.97Å; L279-L601 PolarHBondContact O-N 2.91Å; L279-A603 HydrophobicContact CD1-CB 3.6Å; L279-L605 HydrophobicContact CD2-CD1 4.12Å
280	C	92.6	Very high	80.1	Confident	2 Å²	2	37.6 Å²	37.6	1%	0.014	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	93.2	173.9	-56.5	0	0	0	0	108.4	F300 C558 Y597 V599	C280-F300 HydrophobicContact CB-CB 4.3Å; C280-F300 HydrophobicContact CB-CD1 4.05Å; C280-F300 PolarHBondContact N-O 2.79Å; C280-F300 PolarHBondContact O-N 2.84Å; C280-C558 WeakPolarHBondContact SG-CB 3.4Å; C280-Y597 HydrophobicContact CB-CD1 4.12Å; C280-Y597 HydrophobicContact CB-CD2 3.79Å; C280-Y597 HydrophobicContact CB-CE1 4.22Å; C280-Y597 HydrophobicContact CB-CE2 3.91Å; C280-Y597 HydrophobicContact CB-CG 3.89Å; C280-V599 CarbonylContact C-O 3.51Å; C280-V599 WeakPolarHBondContact CA-O 3.35Å
281	V	90.3	Very high	79.3	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	132.3	-175.4	-173.7	0	0	0	0	109.1	L279 I312 P315 V337 W367 D598 V599	L279-V281 HydrophobicContact CB-CG2 4.14Å; L279-V281 PolarHBondContact O-N 3.02Å; V281-I312 HydrophobicContact CG2-CD1 4.31Å; V281-P315 HydrophobicContact CG1-CG 3.64Å; V281-V337 HydrophobicContact CG1-CG1 4.39Å; V281-W367 HydrophobicContact CG1-CZ2 4.3Å; V281-D598 PolarHBondContact O-N 3.13Å; V281-V599 HydrophobicContact CB-CG2 3.8Å; V281-V599 PolarHBondContact N-O 2.83Å; V281-V599 PolarHBondContact O-N 2.92Å
282	G	79.6	Confident	78.6	Confident	10 Å²	10	52.1 Å²	52.1	10%	0.103	26%	0.262	C	S	.	.			trans	-168.1	168.8	177	0	0	0	0	0	111.1	S314 D598	G282-S314 PolarHBondContact O-OG 3.01Å; G282-D598 WeakPolarHBondContact CA-OD2 3.48Å
283	N	68.5	Low	77.7	Confident	4 Å²	4	51.9 Å²	51.9	2%	0.021	27%	0.27	C	S	.	.			trans	-112.8	0.2	-172.1	-78.3	-13.6	0	0	0	114.4	S314 R316 L321 G322 Y323 D598	N283-S314 PolarHBondContact OD1-OG 3.13Å; N283-R316 PolarHBondContact O-NE 2.95Å; N283-R316 PolarHBondContact O-NH2 2.77Å; N283-R316 PolarHBondContact OD1-N 2.8Å; N283-L321 PolarHBondContact ND2-O 3.43Å; N283-G322 VanDerWaalsContact CB-O 3.26Å; N283-G322 WeakPolarHBondContact CB-O 3.35Å; N283-G322 VanDerWaalsContact ND2-C 3.26Å; N283-G322 PolarHBondContact ND2-O 2.67Å; N283-Y323 WeakPolarHBondContact ND2-CA 3.43Å; N283-Y323 PolarHBondContact ND2-N 3.37Å; N283-D598 PolarHBondContact N-OD2 2.81Å
284	D	62.8	Low	77.2	Confident	78 Å²	78	54 Å²	54	42%	0.417	28%	0.283	S	S	.	.			trans	-79.6	136.9	-171.4	-154.7	-4.4	0	0	0	114.4	G286 N596	D284-G286 VanDerWaalsContact C-N 3.26Å; D284-G286 PolarHBondContact O-N 3.02Å; D284-G286 VanDerWaalsContact O-N 3.09Å; D284-N596 HydrophobicContact CB-CB 4.04Å; D284-N596 PolarHBondContact OD2-ND2 3.1Å; D284-N596 VanDerWaalsContact OD2-ND2 3.08Å
285	G	53.8	Low	76.8	Confident	39 Å²	39	51.3 Å²	51.3	40%	0.402	26%	0.263	S	S	.	.	S	Bend	trans	-75.7	4.7	-159.9	0	0	0	0	0	117	G287	G285-G287 PolarHBondContact O-N 2.86Å
286	G	62.3	Low	76.1	Confident	35 Å²	35	52.1 Å²	52.1	36%	0.361	27%	0.268	S	S	.	.			trans	-76	70.2	168.6	0	0	0	0	0	110.5	D284 H594	D284-G286 VanDerWaalsContact C-N 3.26Å; D284-G286 PolarHBondContact O-N 3.02Å; D284-G286 VanDerWaalsContact O-N 3.09Å; G286-H594 PolarHBondContact O-ND1 3.05Å
287	G	62.6	Low	75.5	Confident	14 Å²	14	52 Å²	52	14%	0.144	27%	0.265	C	S	.	.			trans	-69.1	165.8	178.9	0	0	0	0	0	114.1	G285 R289	G285-G287 PolarHBondContact O-N 2.86Å; G287-R289 PolarHBondContact O-N 3.23Å
288	I	71.9	Confident	75.1	Confident	15 Å²	15	54.4 Å²	54.4	8%	0.077	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	114.5	167.1	-59.1	160.3	0	0	0	107.6	S290 Y295 Y311 L592 P614 L617	I288-S290 PolarHBondContact O-N 3.27Å; I288-Y295 WeakPolarHBondContact O-CB 3.3Å; I288-Y311 HydrophobicContact CD1-CD1 4.49Å; I288-Y311 HydrophobicContact CD1-CE1 3.39Å; I288-Y311 WeakPolarHBondContact CD1-OH 3.41Å; I288-L592 HydrophobicContact CD1-CB 4.3Å; I288-L592 WeakPolarHBondContact CD1-O 3.34Å; I288-P614 HydrophobicContact CG2-CG 4.17Å; I288-L617 HydrophobicContact CG2-CD1 3.28Å
289	R	72.8	Confident	74.8	Confident	223 Å²	223	54.4 Å²	54.4	84%	0.842	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.3	111.7	178.7	-64.6	-175.6	-179.1	-174.6	0.5	109.4	G287	G287-R289 PolarHBondContact O-N 3.23Å
290	S	75.1	Confident	74.7	Confident	22 Å²	22	54.5 Å²	54.5	15%	0.154	27%	0.274	C	S	.	.			trans	-111.3	153.5	172.2	168.9	0	0	0	0	110.4	I288 Y292 P614 D616	I288-S290 PolarHBondContact O-N 3.27Å; S290-Y292 VanDerWaalsContact C-N 3.27Å; S290-Y292 PolarHBondContact OG-N 2.64Å; S290-Y292 VanDerWaalsContact OG-N 3.09Å; S290-P614 VanDerWaalsContact CB-CB 3.48Å; S290-P614 WeakPolarHBondContact OG-CB 3.48Å; S290-D616 VanDerWaalsContact OG-CG 3.27Å; S290-D616 PolarHBondContact OG-OD1 3.46Å; S290-D616 PolarHBondContact OG-OD2 2.88Å
291	R	70.3	Confident	74.7	Confident	200 Å²	200	54.4 Å²	54.4	76%	0.755	27%	0.274	S	S	*	.	S	Bend	trans	-73	-18	172.3	-66.1	-169.2	-68.4	-101.9	-1.7	113.6	D616	R291-D616 PolarHBondContact N-OD2 2.89Å
292	Y	66.2	Low	74.9	Confident	170 Å²	170	54.7 Å²	54.7	67%	0.667	28%	0.275	S	S	*	.	S	Bend	trans	-109.8	4	-171.2	-62.5	-71.2	0	0	0	114.2	S290 D616	S290-Y292 VanDerWaalsContact C-N 3.27Å; S290-Y292 PolarHBondContact OG-N 2.64Å; S290-Y292 VanDerWaalsContact OG-N 3.09Å; Y292-D616 HydrophobicContact CD2-CB 3.93Å; Y292-D616 HydrophobicContact CE2-CB 3.85Å
293	G	66.2	Low	75.6	Confident	36 Å²	36	54.2 Å²	54.2	37%	0.371	27%	0.27	S	S	.	.	S	Bend	trans	168.1	163.5	177.7	0	0	0	0	0	113.1
294	N	70.9	Confident	76.8	Confident	102 Å²	102	55.1 Å²	55.1	55%	0.545	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	114.9	178.4	-169.1	11.8	0	0	0	111.2	T296	N294-T296 VanDerWaalsContact CG-OG1 3.25Å; N294-T296 PolarHBondContact ND2-OG1 3.03Å; N294-T296 VanDerWaalsContact OD1-CB 3.3Å; N294-T296 WeakPolarHBondContact OD1-CB 3.3Å; N294-T296 WeakPolarHBondContact OD1-CG2 3.32Å; N294-T296 PolarHBondContact OD1-N 2.88Å; N294-T296 PolarHBondContact OD1-OG1 2.92Å
295	Y	78.1	Confident	78	Confident	33 Å²	33	55.6 Å²	55.6	13%	0.129	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	12.9	174.5	-71.6	-107.9	0	0	0	112	I288 E297 R298 Y311 H594 V611 S612 P614	I288-Y295 WeakPolarHBondContact O-CB 3.3Å; Y295-E297 VanDerWaalsContact C-N 3.25Å; Y295-E297 PolarHBondContact O-N 2.83Å; Y295-R298 HydrophobicContact CD1-CG 4.21Å; Y295-R298 PolarHBondContact O-N 2.81Å; Y295-Y311 HydrophobicContact CD1-CD1 4.28Å; Y295-Y311 HydrophobicContact CD1-CD2 4.17Å; Y295-Y311 HydrophobicContact CD1-CE1 4.43Å; Y295-Y311 HydrophobicContact CD1-CE2 4.4Å; Y295-Y311 HydrophobicContact CD1-CG 4.14Å; Y295-Y311 AromaticContact CE1-CD2 4Å; Y295-Y311 HydrophobicContact CE1-CD2 4Å; Y295-Y311 HydrophobicContact CE1-CE2 4.29Å; Y295-Y311 HydrophobicContact CE1-CG 4.34Å; Y295-H594 PolarHBondContact O-CE1 2.88Å; Y295-V611 HydrophobicContact CE1-CG1 3.92Å; Y295-S612 WeakPolarHBondContact CE1-O 3.32Å; Y295-S612 PolarHBondContact OH-O 3.45Å; Y295-P614 HydrophobicContact CD1-CG 4.04Å; Y295-P614 HydrophobicContact CD2-CB 4.28Å; Y295-P614 HydrophobicContact CD2-CG 3.69Å; Y295-P614 HydrophobicContact CE1-CG 3.86Å; Y295-P614 HydrophobicContact CE2-CB 3.74Å; Y295-P614 HydrophobicContact CE2-CG 3.5Å; Y295-P614 VanDerWaalsContact CE2-CG 3.5Å; Y295-P614 HydrophobicContact CG-CG 3.97Å
296	T	74.8	Confident	79.7	Confident	38 Å²	38	57.3 Å²	57.3	23%	0.233	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-23.4	178	65.2	0	0	0	0	113.9	N294	N294-T296 VanDerWaalsContact CG-OG1 3.25Å; N294-T296 PolarHBondContact ND2-OG1 3.03Å; N294-T296 VanDerWaalsContact OD1-CB 3.3Å; N294-T296 WeakPolarHBondContact OD1-CB 3.3Å; N294-T296 WeakPolarHBondContact OD1-CG2 3.32Å; N294-T296 PolarHBondContact OD1-N 2.88Å; N294-T296 PolarHBondContact OD1-OG1 2.92Å
297	E	80.4	Confident	81	Confident	71 Å²	71	57.8 Å²	57.8	33%	0.332	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.2	31	-179.2	-60.3	-176.5	151	0	0	111.5	Y295 S314 Y317	Y295-E297 VanDerWaalsContact C-N 3.25Å; Y295-E297 PolarHBondContact O-N 2.83Å; E297-S314 VanDerWaalsContact C-CB 3.44Å; E297-S314 VanDerWaalsContact O-CB 3.3Å; E297-S314 WeakPolarHBondContact O-CB 3.47Å; E297-S314 PolarHBondContact O-N 2.96Å; E297-Y317 HydrophobicContact CB-CD2 4.19Å; E297-Y317 VanDerWaalsContact OE2-CD2 3.3Å; E297-Y317 WeakPolarHBondContact OE2-CD2 3.27Å
298	R	87.5	Confident	82.3	Confident	50 Å²	50	64.7 Å²	64.7	19%	0.189	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	158	177.9	-61.6	-63.1	179.9	173.4	-4.5	109.6	Y295 Y311 I312 H594	Y295-R298 HydrophobicContact CD1-CG 4.21Å; Y295-R298 PolarHBondContact O-N 2.81Å; R298-Y311 HydrophobicContact CB-CD1 4.15Å; R298-Y311 HydrophobicContact CB-CG 4.45Å; R298-I312 CarbonylContact C-O 3.54Å; R298-I312 WeakPolarHBondContact CA-O 3.32Å; R298-I312 WeakPolarHBondContact CD-O 3.37Å; R298-H594 PolarHBondContact O-CE1 2.87Å; R298-H594 PolarHBondContact O-NE2 3.09Å
299	S	90.1	Very high	83.2	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	137	172.9	-64	0	0	0	0	109.5	Y311 I312 S314	S299-Y311 VanDerWaalsContact O-CA 3.27Å; S299-Y311 WeakPolarHBondContact O-CA 3.31Å; S299-I312 PolarHBondContact N-O 2.72Å; S299-I312 PolarHBondContact O-N 3.04Å; S299-S314 WeakPolarHBondContact OG-CA 3.34Å
300	F	92.1	Very high	84.1	Confident	2 Å²	2	55.6 Å²	55.6	1%	0.009	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	138.6	-172.3	171.6	-98	0	0	0	110.8	C280 F302 A309 Y311 I574 A591 L592 M593	C280-F300 HydrophobicContact CB-CB 4.3Å; C280-F300 HydrophobicContact CB-CD1 4.05Å; C280-F300 PolarHBondContact N-O 2.79Å; C280-F300 PolarHBondContact O-N 2.84Å; F300-F302 HydrophobicContact CE1-CB 3.79Å; F300-F302 HydrophobicContact CZ-CB 3.92Å; F300-F302 HydrophobicContact CZ-CD2 4.39Å; F300-A309 HydrophobicContact CE2-CB 3.64Å; F300-A309 HydrophobicContact CZ-CB 4.25Å; F300-Y311 HydrophobicContact CB-CE1 4.39Å; F300-Y311 HydrophobicContact CD2-CE1 4.07Å; F300-I574 HydrophobicContact CE1-CD1 4.2Å; F300-I574 HydrophobicContact CZ-CD1 4.24Å; F300-A591 HydrophobicContact CE2-CB 4.39Å; F300-A591 HydrophobicContact CZ-CB 3.94Å; F300-L592 WeakPolarHBondContact CD2-O 3.41Å; F300-M593 HydrophobicContact CB-CB 4.15Å; F300-M593 HydrophobicContact CD1-CB 3.88Å; F300-M593 HydrophobicContact CD2-CB 4.2Å; F300-M593 HydrophobicContact CE1-CB 4.32Å; F300-M593 HydrophobicContact CE1-CE 4.38Å; F300-M593 HydrophobicContact CG-CB 3.81Å
301	C	93.5	Very high	84.9	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	138.6	176.8	-50.9	0	0	0	0	109.1	L278 L279 A309 Y310	L278-C301 CarbonylContact O-C 3.52Å; L278-C301 VanDerWaalsContact O-CA 3.25Å; L278-C301 WeakPolarHBondContact O-CA 3.49Å; L279-C301 HydrophobicContact CD2-CB 3.98Å; L279-C301 WeakPolarHBondContact CD2-SG 3.31Å; C301-A309 CarbonylContact O-C 3.52Å; C301-A309 WeakPolarHBondContact O-CA 3.25Å; C301-Y310 WeakPolarHBondContact CA-O 3.48Å; C301-Y310 WeakPolarHBondContact CB-O 3.47Å; C301-Y310 PolarHBondContact N-O 2.7Å; C301-Y310 PolarHBondContact O-N 2.97Å; C301-Y310 VanDerWaalsContact O-O 3.12Å
302	F	94.7	Very high	85.8	Confident	6 Å²	6	45.1 Å²	45.1	3%	0.026	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	135.1	175.3	-176.9	-111.1	0	0	0	110.5	L277 L278 F300 P304 I574 V587 T588	L277-F302 CarbonylContact C-O 3.46Å; L277-F302 WeakPolarHBondContact CA-O 3.24Å; L278-F302 HydrophobicContact CB-CB 4.46Å; L278-F302 HydrophobicContact CD1-CD1 4.13Å; L278-F302 PolarHBondContact N-O 2.95Å; L278-F302 PolarHBondContact O-N 2.99Å; F300-F302 HydrophobicContact CE1-CB 3.79Å; F300-F302 HydrophobicContact CZ-CB 3.92Å; F300-F302 HydrophobicContact CZ-CD2 4.39Å; F302-P304 HydrophobicContact CD1-CG 3.98Å; F302-P304 HydrophobicContact CE1-CB 4.26Å; F302-P304 HydrophobicContact CE1-CG 4.13Å; F302-P304 WeakPolarHBondContact O-CD 3.22Å; F302-I574 HydrophobicContact CB-CD1 3.99Å; F302-I574 HydrophobicContact CD1-CD1 3.71Å; F302-I574 HydrophobicContact CD1-CG2 4.37Å; F302-I574 HydrophobicContact CD2-CD1 3.77Å; F302-I574 HydrophobicContact CE1-CD1 4.07Å; F302-I574 HydrophobicContact CE1-CG2 4.28Å; F302-I574 HydrophobicContact CE2-CD1 4.12Å; F302-I574 HydrophobicContact CG-CD1 3.54Å; F302-I574 HydrophobicContact CZ-CD1 4.26Å; F302-V587 HydrophobicContact CE1-CG2 4.4Å; F302-T588 WeakPolarHBondContact CE2-OG1 3.34Å; F302-T588 WeakPolarHBondContact CZ-OG1 3.32Å
303	A	94.3	Very high	86.9	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	96.6	176.8	0	0	0	0	0	110.1	T275 L277 S305 T306 G307 R308 Y310	T275-A303 HydrophobicContact CG2-CB 4.07Å; L277-A303 HydrophobicContact CD2-CB 3.4Å; L277-A303 VanDerWaalsContact CD2-CB 3.4Å; A303-S305 VanDerWaalsContact C-N 3.26Å; A303-S305 PolarHBondContact O-N 2.79Å; A303-T306 WeakPolarHBondContact CB-OG1 3.38Å; A303-T306 PolarHBondContact O-N 3.09Å; A303-T306 VanDerWaalsContact O-N 3.13Å; A303-G307 WeakPolarHBondContact O-CA 3.36Å; A303-G307 PolarHBondContact O-N 3.19Å; A303-R308 PolarHBondContact N-O 2.63Å; A303-R308 PolarHBondContact O-N 3.09Å; A303-Y310 HydrophobicContact CB-CD2 4.21Å; A303-Y310 HydrophobicContact CB-CE2 3.86Å
304	P	92.8	Very high	88	Confident	23 Å²	23	35.6 Å²	35.6	15%	0.149	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-35.3	-176.7	-26.2	36.3	0	0	0	113.8	L278 F302 T306 V551 Y556	L278-P304 HydrophobicContact CD1-CG 3.68Å; L278-P304 HydrophobicContact CG-CG 4.41Å; F302-P304 HydrophobicContact CD1-CG 3.98Å; F302-P304 HydrophobicContact CE1-CB 4.26Å; F302-P304 HydrophobicContact CE1-CG 4.13Å; F302-P304 WeakPolarHBondContact O-CD 3.22Å; P304-T306 PolarHBondContact O-N 2.91Å; P304-V551 HydrophobicContact CB-CG1 4.24Å; P304-V551 HydrophobicContact CG-CB 3.95Å; P304-V551 HydrophobicContact CG-CG1 3.94Å; P304-V551 HydrophobicContact CG-CG2 4.14Å; P304-Y556 HydrophobicContact CB-CD1 4.48Å; P304-Y556 HydrophobicContact CB-CD2 4.42Å; P304-Y556 HydrophobicContact CB-CE1 3.83Å; P304-Y556 HydrophobicContact CB-CE2 3.74Å; P304-Y556 VanDerWaalsContact CB-CZ 3.43Å; P304-Y556 HydrophobicContact CG-CD1 4.42Å; P304-Y556 HydrophobicContact CG-CD2 4.08Å; P304-Y556 HydrophobicContact CG-CE1 4.23Å; P304-Y556 HydrophobicContact CG-CE2 3.87Å; P304-Y556 HydrophobicContact CG-CG 4.36Å
305	S	88.7	Confident	88.7	Confident	89 Å²	89	30.7 Å²	30.7	62%	0.622	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-26.8	179.4	58	0	0	0	0	114	T275 A303	T275-S305 WeakPolarHBondContact CG2-OG 3.23Å; A303-S305 VanDerWaalsContact C-N 3.26Å; A303-S305 PolarHBondContact O-N 2.79Å
306	T	88.6	Confident	88.7	Confident	74 Å²	74	33.7 Å²	33.7	45%	0.454	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.2	-10	-177.8	64.2	0	0	0	0	113.5	A303 P304 R308	A303-T306 WeakPolarHBondContact CB-OG1 3.38Å; A303-T306 PolarHBondContact O-N 3.09Å; A303-T306 VanDerWaalsContact O-N 3.13Å; P304-T306 PolarHBondContact O-N 2.91Å; T306-R308 PolarHBondContact O-N 3.01Å; T306-R308 WeakPolarHBondContact OG1-CB 3.13Å; T306-R308 PolarHBondContact OG1-N 2.7Å
307	G	89.3	Confident	88.5	Confident	46 Å²	46	37.3 Å²	37.3	47%	0.474	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.6	16.7	-172.5	0	0	0	0	0	114	A303	A303-G307 WeakPolarHBondContact O-CA 3.36Å; A303-G307 PolarHBondContact O-N 3.19Å
308	R	90.4	Very high	87.8	Confident	159 Å²	159	37.3 Å²	37.3	60%	0.6	21%	0.209	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-97.2	143.8	-175.8	-67.1	-178	178.1	-171.9	-0.6	112	A303 T306 Y310	A303-R308 PolarHBondContact N-O 2.63Å; A303-R308 PolarHBondContact O-N 3.09Å; T306-R308 PolarHBondContact O-N 3.01Å; T306-R308 WeakPolarHBondContact OG1-CB 3.13Å; T306-R308 PolarHBondContact OG1-N 2.7Å; R308-Y310 HydrophobicContact CB-CD2 4.4Å; R308-Y310 HydrophobicContact CB-CE2 3.58Å; R308-Y310 WeakPolarHBondContact CD-OH 3.32Å
309	A	91.6	Very high	87.1	Confident	24 Å²	24	37.7 Å²	37.7	20%	0.198	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	145	170.4	0	0	0	0	0	110.8	F300 C301 P613	F300-A309 HydrophobicContact CE2-CB 3.64Å; F300-A309 HydrophobicContact CZ-CB 4.25Å; C301-A309 CarbonylContact O-C 3.52Å; C301-A309 WeakPolarHBondContact O-CA 3.25Å; A309-P613 WeakPolarHBondContact O-CD 3.46Å
310	Y	91.8	Very high	86.4	Confident	23 Å²	23	38 Å²	38	9%	0.09	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	174	177.8	-62.8	-83.8	0	0	0	109.7	L277 C301 A303 R308 P607 L610 V611	L277-Y310 HydrophobicContact CD2-CD2 4.31Å; C301-Y310 WeakPolarHBondContact CA-O 3.48Å; C301-Y310 WeakPolarHBondContact CB-O 3.47Å; C301-Y310 PolarHBondContact N-O 2.7Å; C301-Y310 PolarHBondContact O-N 2.97Å; C301-Y310 VanDerWaalsContact O-O 3.12Å; A303-Y310 HydrophobicContact CB-CD2 4.21Å; A303-Y310 HydrophobicContact CB-CE2 3.86Å; R308-Y310 HydrophobicContact CB-CD2 4.4Å; R308-Y310 HydrophobicContact CB-CE2 3.58Å; R308-Y310 WeakPolarHBondContact CD-OH 3.32Å; Y310-P607 HydrophobicContact CE1-CB 3.96Å; Y310-P607 HydrophobicContact CE2-CB 4.37Å; Y310-L610 HydrophobicContact CD1-CB 3.99Å; Y310-L610 HydrophobicContact CD1-CD1 4.24Å; Y310-L610 HydrophobicContact CD2-CD1 4.39Å; Y310-L610 HydrophobicContact CG-CB 4.25Å; Y310-L610 HydrophobicContact CG-CD1 3.86Å; Y310-V611 CarbonylContact C-O 3.6Å
311	Y	90.6	Very high	86	Confident	0 Å²	0	38 Å²	38	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	145.1	177.3	-56.3	-96.5	0	0	0	112.4	I288 Y295 R298 S299 F300 L592 V611 P613	I288-Y311 HydrophobicContact CD1-CD1 4.49Å; I288-Y311 HydrophobicContact CD1-CE1 3.39Å; I288-Y311 WeakPolarHBondContact CD1-OH 3.41Å; Y295-Y311 HydrophobicContact CD1-CD1 4.28Å; Y295-Y311 HydrophobicContact CD1-CD2 4.17Å; Y295-Y311 HydrophobicContact CD1-CE1 4.43Å; Y295-Y311 HydrophobicContact CD1-CE2 4.4Å; Y295-Y311 HydrophobicContact CD1-CG 4.14Å; Y295-Y311 AromaticContact CE1-CD2 4Å; Y295-Y311 HydrophobicContact CE1-CD2 4Å; Y295-Y311 HydrophobicContact CE1-CE2 4.29Å; Y295-Y311 HydrophobicContact CE1-CG 4.34Å; R298-Y311 HydrophobicContact CB-CD1 4.15Å; R298-Y311 HydrophobicContact CB-CG 4.45Å; S299-Y311 VanDerWaalsContact O-CA 3.27Å; S299-Y311 WeakPolarHBondContact O-CA 3.31Å; F300-Y311 HydrophobicContact CB-CE1 4.39Å; F300-Y311 HydrophobicContact CD2-CE1 4.07Å; Y311-L592 WeakPolarHBondContact OH-CB 3.46Å; Y311-L592 PolarHBondContact OH-O 2.94Å; Y311-V611 PolarHBondContact N-O 2.8Å; Y311-V611 PolarHBondContact O-N 3.42Å; Y311-P613 HydrophobicContact CE2-CB 3.82Å
312	I	90.2	Very high	85.3	Confident	2 Å²	2	39.1 Å²	39.1	1%	0.01	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	168.8	167.3	60.8	172.4	0	0	0	110.3	L279 V281 R298 S299 Y359 W367 L605 L610	L279-I312 HydrophobicContact CD2-CD1 4.26Å; V281-I312 HydrophobicContact CG2-CD1 4.31Å; R298-I312 CarbonylContact C-O 3.54Å; R298-I312 WeakPolarHBondContact CA-O 3.32Å; R298-I312 WeakPolarHBondContact CD-O 3.37Å; S299-I312 PolarHBondContact N-O 2.72Å; S299-I312 PolarHBondContact O-N 3.04Å; I312-Y359 HydrophobicContact CB-CE2 4.13Å; I312-Y359 WeakPolarHBondContact CB-OH 3.08Å; I312-Y359 HydrophobicContact CD1-CE2 4.3Å; I312-Y359 HydrophobicContact CG2-CE1 4.35Å; I312-Y359 WeakPolarHBondContact CG2-OH 3.2Å; I312-W367 HydrophobicContact CD1-CZ2 4.44Å; I312-L605 HydrophobicContact CG2-CD1 4.15Å; I312-L610 HydrophobicContact CG2-CD2 3.63Å
313	T	89.2	Confident	84.8	Confident	3 Å²	3	42 Å²	42	2%	0.018	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	136.8	168.8	39.7	0	0	0	0	110.8	Y317 Y359 Q364 G365 W367	T313-Y317 HydrophobicContact CG2-CD1 4.42Å; T313-Y359 WeakPolarHBondContact OG1-CE2 3.28Å; T313-Q364 WeakPolarHBondContact CG2-O 3.25Å; T313-G365 WeakPolarHBondContact CB-O 3.21Å; T313-G365 WeakPolarHBondContact CG2-O 3.19Å; T313-G365 PolarHBondContact OG1-O 3.5Å; T313-W367 PolarHBondContact O-NE1 2.92Å
314	S	88	Confident	84.5	Confident	2 Å²	2	42 Å²	42	1%	0.014	24%	0.24	C	C	.	.			trans	-74.7	149.1	173.8	169.4	0	0	0	0	110.6	G282 N283 E297 S299 R316 Y317 W367	G282-S314 PolarHBondContact O-OG 3.01Å; N283-S314 PolarHBondContact OD1-OG 3.13Å; E297-S314 VanDerWaalsContact C-CB 3.44Å; E297-S314 VanDerWaalsContact O-CB 3.3Å; E297-S314 WeakPolarHBondContact O-CB 3.47Å; E297-S314 PolarHBondContact O-N 2.96Å; S299-S314 WeakPolarHBondContact OG-CA 3.34Å; S314-R316 PolarHBondContact O-N 2.81Å; S314-R316 VanDerWaalsContact O-N 3.08Å; S314-R316 WeakPolarHBondContact OG-CB 3.37Å; S314-R316 PolarHBondContact OG-N 2.89Å; S314-R316 VanDerWaalsContact OG-N 3.14Å; S314-Y317 WeakPolarHBondContact O-CB 3.49Å; S314-Y317 PolarHBondContact O-N 3.1Å; S314-W367 VanDerWaalsContact C-NE1 3.3Å
315	P	86.1	Confident	84.4	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-17	168.4	-23.2	32.2	0	0	0	114.2	V281 Y317 A320 L321 V324 V337 W367	V281-P315 HydrophobicContact CG1-CG 3.64Å; P315-Y317 VanDerWaalsContact C-N 3.3Å; P315-A320 WeakPolarHBondContact O-CA 3.12Å; P315-A320 WeakPolarHBondContact O-CB 3.45Å; P315-A320 PolarHBondContact O-N 2.9Å; P315-L321 HydrophobicContact CB-CB 4.03Å; P315-L321 HydrophobicContact CB-CD1 4.23Å; P315-L321 HydrophobicContact CB-CG 4.42Å; P315-L321 PolarHBondContact O-N 3.42Å; P315-V324 HydrophobicContact CB-CG2 4.29Å; P315-V324 HydrophobicContact CG-CG2 3.97Å; P315-V337 HydrophobicContact CB-CG2 4.45Å; P315-V337 HydrophobicContact CG-CG2 4.05Å; P315-W367 HydrophobicContact CB-CD2 4.3Å; P315-W367 HydrophobicContact CB-CG 4.46Å; P315-W367 HydrophobicContact CG-CD2 4.05Å; P315-W367 HydrophobicContact CG-CH2 4.11Å; P315-W367 HydrophobicContact CG-CZ2 3.62Å
316	R	77.7	Confident	84.5	Confident	95 Å²	95	37.3 Å²	37.3	36%	0.358	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-30	171.3	-179.4	179.2	-77.6	-143	-6	112.5	N283 S314 G318 D319	N283-R316 PolarHBondContact O-NE 2.95Å; N283-R316 PolarHBondContact O-NH2 2.77Å; N283-R316 PolarHBondContact OD1-N 2.8Å; S314-R316 PolarHBondContact O-N 2.81Å; S314-R316 VanDerWaalsContact O-N 3.08Å; S314-R316 WeakPolarHBondContact OG-CB 3.37Å; S314-R316 PolarHBondContact OG-N 2.89Å; S314-R316 VanDerWaalsContact OG-N 3.14Å; R316-G318 PolarHBondContact O-N 2.77Å; R316-D319 PolarHBondContact O-N 3.06Å; R316-D319 VanDerWaalsContact O-N 3.1Å
317	Y	71.9	Confident	84.8	Confident	115 Å²	115	34.6 Å²	34.6	45%	0.451	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-62.2	127.7	-178.9	-171.8	-96.8	0	0	0	109.9	E297 T313 S314 P315 D319	E297-Y317 HydrophobicContact CB-CD2 4.19Å; E297-Y317 VanDerWaalsContact OE2-CD2 3.3Å; E297-Y317 WeakPolarHBondContact OE2-CD2 3.27Å; T313-Y317 HydrophobicContact CG2-CD1 4.42Å; S314-Y317 WeakPolarHBondContact O-CB 3.49Å; S314-Y317 PolarHBondContact O-N 3.1Å; P315-Y317 VanDerWaalsContact C-N 3.3Å; Y317-D319 VanDerWaalsContact C-N 3.31Å; Y317-D319 PolarHBondContact O-N 2.67Å
318	G	65.3	Low	85.1	Confident	70 Å²	70	33 Å²	33	72%	0.722	18%	0.176	S	C	*	.	G	3₁₀ helix	trans	74.1	16.8	-177.3	0	0	0	0	0	115.1	R316 A320	R316-G318 PolarHBondContact O-N 2.77Å; G318-A320 PolarHBondContact O-N 2.75Å
319	D	71.8	Confident	85.3	Confident	59 Å²	59	27 Å²	27	32%	0.316	16%	0.157	S	C	.	.	G	3₁₀ helix	trans	68.4	27.7	175.2	-149.1	33.8	0	0	0	114.3	R316 Y317 S342	R316-D319 PolarHBondContact O-N 3.06Å; R316-D319 VanDerWaalsContact O-N 3.1Å; Y317-D319 VanDerWaalsContact C-N 3.31Å; Y317-D319 PolarHBondContact O-N 2.67Å; D319-S342 WeakPolarHBondContact OD1-CB 3.45Å; D319-S342 PolarHBondContact OD1-OG 2.97Å; D319-S342 PolarHBondContact OD2-OG 3.29Å
320	A	75.3	Confident	85.5	Confident	6 Å²	6	26.2 Å²	26.2	5%	0.05	15%	0.15	C	C	.	.			trans	-69.5	-63.2	-174.7	0	0	0	0	0	112.6	P315 G318 Y357 W367	P315-A320 WeakPolarHBondContact O-CA 3.12Å; P315-A320 WeakPolarHBondContact O-CB 3.45Å; P315-A320 PolarHBondContact O-N 2.9Å; G318-A320 PolarHBondContact O-N 2.75Å; A320-Y357 WeakPolarHBondContact CA-OH 3.17Å; A320-Y357 HydrophobicContact CB-CD1 3.91Å; A320-Y357 HydrophobicContact CB-CE1 3.58Å; A320-Y357 HydrophobicContact CB-CE2 4.29Å; A320-Y357 HydrophobicContact CB-CG 4.44Å; A320-Y357 VanDerWaalsContact O-CE2 3.24Å; A320-Y357 WeakPolarHBondContact O-CE2 3.45Å; A320-Y357 VanDerWaalsContact O-CZ 3.29Å; A320-Y357 PolarHBondContact O-OH 2.95Å; A320-W367 HydrophobicContact CB-CB 4.17Å
321	L	84.1	Confident	85.5	Confident	1 Å²	1	29.5 Å²	29.5	1%	0.005	17%	0.166	C	C	.	.			trans	-125.2	141.9	175.3	-69	177.4	0	0	0	111.6	N283 P315 V324 V337 E340 E355 Y357	N283-L321 PolarHBondContact ND2-O 3.43Å; P315-L321 HydrophobicContact CB-CB 4.03Å; P315-L321 HydrophobicContact CB-CD1 4.23Å; P315-L321 HydrophobicContact CB-CG 4.42Å; P315-L321 PolarHBondContact O-N 3.42Å; L321-V324 HydrophobicContact CD1-CG2 4.2Å; L321-V337 HydrophobicContact CD1-CB 4.48Å; L321-V337 HydrophobicContact CD1-CG2 3.72Å; L321-E340 WeakPolarHBondContact CD2-O 3.29Å; L321-E355 HydrophobicContact CD2-CB 3.65Å; L321-Y357 HydrophobicContact CD1-CD2 4.12Å; L321-Y357 HydrophobicContact CD2-CD2 3.76Å; L321-Y357 HydrophobicContact CD2-CE2 3.68Å; L321-Y357 HydrophobicContact CG-CD2 3.67Å; L321-Y357 HydrophobicContact CG-CE2 3.86Å
322	G	78.9	Confident	85.5	Confident	24 Å²	24	37.5 Å²	37.5	25%	0.247	20%	0.196	C	C	.	.	S	Bend	trans	-83.7	-37.4	171.8	0	0	0	0	0	112.6	N283 E340	N283-G322 VanDerWaalsContact CB-O 3.26Å; N283-G322 WeakPolarHBondContact CB-O 3.35Å; N283-G322 VanDerWaalsContact ND2-C 3.26Å; N283-G322 PolarHBondContact ND2-O 2.67Å; G322-E340 PolarHBondContact N-O 2.96Å
323	Y	83.9	Confident	85.6	Confident	66 Å²	66	40.3 Å²	40.3	26%	0.259	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	134.6	179.3	-165.5	-109.8	0	0	0	109.7	N283 G339 E340 T543 D598	N283-Y323 WeakPolarHBondContact ND2-CA 3.43Å; N283-Y323 PolarHBondContact ND2-N 3.37Å; Y323-G339 CarbonylContact O-C 3.56Å; Y323-G339 WeakPolarHBondContact O-CA 3.34Å; Y323-E340 PolarHBondContact N-O 3.42Å; Y323-E340 PolarHBondContact O-N 2.93Å; Y323-T543 HydrophobicContact CE1-CG2 3.84Å; Y323-T543 WeakPolarHBondContact OH-CG2 3.28Å; Y323-D598 WeakPolarHBondContact CE2-OD1 3Å; Y323-D598 PolarHBondContact OH-OD1 2.91Å
324	V	89.3	Confident	85.8	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	131.6	173	176.3	0	0	0	0	107.6	P315 L321 V337 D598 V599	P315-V324 HydrophobicContact CB-CG2 4.29Å; P315-V324 HydrophobicContact CG-CG2 3.97Å; L321-V324 HydrophobicContact CD1-CG2 4.2Å; V324-V337 HydrophobicContact CG1-CB 4.2Å; V324-V337 HydrophobicContact CG1-CG1 4.46Å; V324-D598 HydrophobicContact CB-CB 3.78Å; V324-D598 HydrophobicContact CG1-CB 4.13Å; V324-D598 WeakPolarHBondContact O-CB 3.4Å; V324-D598 VanDerWaalsContact O-CG 3.24Å; V324-V599 HydrophobicContact CG1-CG1 3.85Å; V324-V599 HydrophobicContact CG1-CG2 4.11Å
325	C	89.1	Confident	86.1	Confident	6 Å²	6	41.6 Å²	41.6	4%	0.041	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	-38.2	179.7	-58.6	0	0	0	0	111.8	A338 Y379	C325-A338 PolarHBondContact N-O 2.83Å; C325-Y379 HydrophobicContact CB-CE1 4.1Å
326	A	92.3	Very high	86.6	Confident	8 Å²	8	41.6 Å²	41.6	7%	0.066	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	160.7	-179	0	0	0	0	0	110.8	A338 Y379 L381	A326-A338 PolarHBondContact N-O 3.03Å; A326-A338 VanDerWaalsContact N-O 3.13Å; A326-A338 PolarHBondContact O-N 2.85Å; A326-Y379 HydrophobicContact CB-CD2 4.32Å; A326-Y379 HydrophobicContact CB-CE2 3.86Å; A326-L381 HydrophobicContact CB-CB 3.68Å
327	G	93.8	Very high	87.4	Confident	17 Å²	17	37.1 Å²	37.1	18%	0.175	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	154.7	177.3	0	0	0	0	0	111	I336 L601	G327-I336 CarbonylContact C-O 3.53Å; G327-I336 WeakPolarHBondContact CA-O 3.49Å; G327-L601 VanDerWaalsContact C-CD2 3.45Å; G327-L601 WeakPolarHBondContact O-CD2 3.38Å
328	V	95.4	Very high	88.5	Confident	14 Å²	14	31.6 Å²	31.6	9%	0.085	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	150.8	178.3	-63.1	0	0	0	0	109.6	I336 L381 L388	V328-I336 HydrophobicContact CG2-CB 4.03Å; V328-I336 HydrophobicContact CG2-CG2 4.45Å; V328-I336 PolarHBondContact N-O 3.24Å; V328-I336 PolarHBondContact O-N 3.42Å; V328-I336 VanDerWaalsContact O-O 3.14Å; V328-L381 HydrophobicContact CG1-CB 4.07Å; V328-L381 HydrophobicContact CG1-CD2 4.07Å; V328-L381 HydrophobicContact CG1-CG 3.9Å; V328-L381 WeakPolarHBondContact CG1-O 3.49Å; V328-L381 HydrophobicContact CG2-CD2 3.87Å; V328-L381 HydrophobicContact CG2-CG 4.26Å; V328-L388 HydrophobicContact CG2-CD2 3.91Å
329	V	95.8	Very high	89.7	Confident	31 Å²	31	28.3 Å²	28.3	19%	0.188	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	123.8	165	177.7	0	0	0	0	107.7	D334 I335 L601 V602 A603	V329-D334 VanDerWaalsContact CA-O 3.29Å; V329-D334 WeakPolarHBondContact CA-O 3.45Å; V329-I335 HydrophobicContact CG2-CB 4.49Å; V329-I335 HydrophobicContact CG2-CG1 4.06Å; V329-L601 HydrophobicContact CG2-CB 3.84Å; V329-L601 HydrophobicContact CG2-CD1 4.25Å; V329-V602 WeakPolarHBondContact CB-O 3.45Å; V329-V602 WeakPolarHBondContact CG1-O 3.3Å; V329-V602 WeakPolarHBondContact CG2-O 3.34Å; V329-A603 HydrophobicContact CG1-CB 4.16Å; V329-A603 HydrophobicContact CG2-CB 4.1Å
330	T	94.9	Very high	90.4	Very high	8 Å²	8	27.6 Å²	27.6	5%	0.049	14%	0.14	C	C	.	.			trans	-73.1	168.6	-178.5	72.3	0	0	0	0	110.8	R332 N333 D334 I336 L412	T330-R332 PolarHBondContact O-N 3.12Å; T330-R332 PolarHBondContact OG1-N 3.03Å; T330-N333 WeakPolarHBondContact O-CA 3.27Å; T330-N333 PolarHBondContact O-N 2.92Å; T330-D334 HydrophobicContact CG2-CB 3.89Å; T330-D334 PolarHBondContact N-O 3.48Å; T330-D334 VanDerWaalsContact OG1-CB 3.27Å; T330-D334 WeakPolarHBondContact OG1-CB 3.27Å; T330-D334 PolarHBondContact OG1-N 2.76Å; T330-D334 PolarHBondContact OG1-OD2 2.79Å; T330-D334 VanDerWaalsContact OG1-OD2 3.13Å; T330-I336 HydrophobicContact CG2-CD1 3.77Å; T330-L412 HydrophobicContact CG2-CD1 4.07Å
331	E	90.9	Very high	90.8	Very high	93 Å²	93	27.4 Å²	27.4	44%	0.435	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-21.6	173.2	-68.4	169.3	-178.9	0	0	113	R434	E331-R434 WeakPolarHBondContact OE1-CD 3.4Å; E331-R434 IonicContact OE1-CZ 2.89Å; E331-R434 IonicContact OE1-NE 2.95Å; E331-R434 IonicContact OE1-NH1 2.72Å; E331-R434 PolarHBondContact OE1-NH1 3.47Å
332	R	90.9	Very high	90.5	Very high	168 Å²	168	27.7 Å²	27.7	63%	0.634	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.2	10.4	172.8	-63	-174.7	-179.3	157.1	11	113	T330 D334 D386	T330-R332 PolarHBondContact O-N 3.12Å; T330-R332 PolarHBondContact OG1-N 3.03Å; R332-D334 VanDerWaalsContact C-N 3.27Å; R332-D334 PolarHBondContact O-N 3.23Å; R332-D386 VanDerWaalsContact CZ-CG 3.49Å; R332-D386 IonicContact CZ-OD1 3.54Å; R332-D386 IonicContact CZ-OD2 2.8Å; R332-D386 VanDerWaalsContact CZ-OD2 3.28Å; R332-D386 IonicContact NE-OD1 3.78Å; R332-D386 PolarHBondContact NE-OD1 3.08Å; R332-D386 IonicContact NH1-OD1 3.17Å; R332-D386 PolarHBondContact NH1-OD1 3.46Å; R332-D386 IonicContact NH1-OD2 3.95Å; R332-D386 PolarHBondContact NH1-OD2 2.88Å; R332-D386 VanDerWaalsContact NH1-OD2 3.09Å; R332-D386 VanDerWaalsContact NH2-CG 3.26Å; R332-D386 IonicContact NH2-OD1 2.63Å; R332-D386 PolarHBondContact NH2-OD1 2.83Å; R332-D386 IonicContact NH2-OD2 3.77Å; R332-D386 PolarHBondContact NH2-OD2 2.86Å
333	N	92.3	Very high	90.4	Very high	61 Å²	61	30.1 Å²	30.1	33%	0.326	16%	0.159	S	C	.	.			trans	65.3	26.5	179.6	-168.6	61.2	0	0	0	113.8	T330 A603 S604	T330-N333 WeakPolarHBondContact O-CA 3.27Å; T330-N333 PolarHBondContact O-N 2.92Å; N333-A603 WeakPolarHBondContact OD1-CA 3.27Å; N333-S604 PolarHBondContact ND2-O 2.86Å; N333-S604 PolarHBondContact OD1-N 3.25Å
334	D	93.5	Very high	90.1	Very high	29 Å²	29	35.9 Å²	35.9	16%	0.155	18%	0.18	C	C	.	.			trans	-78.8	122.8	171.8	-60.6	-66.6	0	0	0	110.2	V329 T330 R332 I336 R358	V329-D334 VanDerWaalsContact CA-O 3.29Å; V329-D334 WeakPolarHBondContact CA-O 3.45Å; T330-D334 HydrophobicContact CG2-CB 3.89Å; T330-D334 PolarHBondContact N-O 3.48Å; T330-D334 VanDerWaalsContact OG1-CB 3.27Å; T330-D334 WeakPolarHBondContact OG1-CB 3.27Å; T330-D334 PolarHBondContact OG1-N 2.76Å; T330-D334 PolarHBondContact OG1-OD2 2.79Å; T330-D334 VanDerWaalsContact OG1-OD2 3.13Å; R332-D334 VanDerWaalsContact C-N 3.27Å; R332-D334 PolarHBondContact O-N 3.23Å; D334-I336 HydrophobicContact CB-CD1 4.35Å; D334-I336 HydrophobicContact CB-CG1 4.34Å; D334-R358 IonicContact OD1-CZ 3.67Å; D334-R358 IonicContact OD1-NE 2.61Å; D334-R358 PolarHBondContact OD1-NE 2.79Å; D334-R358 IonicContact OD1-NH2 2.77Å; D334-R358 PolarHBondContact OD1-NH2 2.89Å; D334-R358 IonicContact OD2-CZ 2.77Å; D334-R358 IonicContact OD2-NE 3.86Å; D334-R358 IonicContact OD2-NH2 2.67Å; D334-R358 PolarHBondContact OD2-NH2 3.43Å
335	I	95.5	Very high	89.5	Confident	3 Å²	3	39.3 Å²	39.3	2%	0.015	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	116	175.5	-55.4	155.6	0	0	0	108.1	L279 V329 R358 Y359 W367 L601 A603 L605	L279-I335 HydrophobicContact CD1-CD1 3.51Å; L279-I335 HydrophobicContact CD1-CG1 3.92Å; L279-I335 HydrophobicContact CD1-CG2 4.31Å; V329-I335 HydrophobicContact CG2-CB 4.49Å; V329-I335 HydrophobicContact CG2-CG1 4.06Å; I335-R358 WeakPolarHBondContact O-CA 2.68Å; I335-Y359 HydrophobicContact CD1-CD1 3.85Å; I335-Y359 HydrophobicContact CD1-CG 4.4Å; I335-Y359 PolarHBondContact O-N 2.92Å; I335-W367 HydrophobicContact CG2-CH2 4.02Å; I335-W367 HydrophobicContact CG2-CZ3 4.46Å; I335-L601 HydrophobicContact CG2-CD1 3.92Å; I335-A603 HydrophobicContact CD1-CB 3.75Å; I335-A603 HydrophobicContact CG1-CB 3.62Å; I335-L605 HydrophobicContact CD1-CD1 4.16Å; I335-L605 HydrophobicContact CD1-CD2 4.13Å; I335-L605 HydrophobicContact CD1-CG 4.49Å
336	I	95.7	Very high	89	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	132.3	-177.5	-62.1	174	0	0	0	108.9	G327 V328 T330 D334 I356 Y357 R358 L370 L381 L388 L412	G327-I336 CarbonylContact C-O 3.53Å; G327-I336 WeakPolarHBondContact CA-O 3.49Å; V328-I336 HydrophobicContact CG2-CB 4.03Å; V328-I336 HydrophobicContact CG2-CG2 4.45Å; V328-I336 PolarHBondContact N-O 3.24Å; V328-I336 PolarHBondContact O-N 3.42Å; V328-I336 VanDerWaalsContact O-O 3.14Å; T330-I336 HydrophobicContact CG2-CD1 3.77Å; D334-I336 HydrophobicContact CB-CD1 4.35Å; D334-I336 HydrophobicContact CB-CG1 4.34Å; I336-I356 HydrophobicContact CG2-CG2 3.45Å; I336-I356 VanDerWaalsContact CG2-CG2 3.45Å; I336-Y357 WeakPolarHBondContact CA-O 3.15Å; I336-R358 HydrophobicContact CG1-CB 4.47Å; I336-R358 HydrophobicContact CG1-CG 4.27Å; I336-L370 HydrophobicContact CD1-CD2 4.01Å; I336-L370 HydrophobicContact CG1-CD2 4.44Å; I336-L370 HydrophobicContact CG2-CD2 4.38Å; I336-L381 HydrophobicContact CG2-CD2 4.46Å; I336-L388 HydrophobicContact CD1-CD1 4.16Å; I336-L388 HydrophobicContact CD1-CD2 4.03Å; I336-L388 HydrophobicContact CG2-CD1 4.13Å; I336-L412 HydrophobicContact CD1-CD2 3.72Å
337	V	94.6	Very high	88.3	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	143.5	176.2	-61.6	0	0	0	0	109.9	V281 P315 L321 V324 I356 Y357 W367 L601	V281-V337 HydrophobicContact CG1-CG1 4.39Å; P315-V337 HydrophobicContact CB-CG2 4.45Å; P315-V337 HydrophobicContact CG-CG2 4.05Å; L321-V337 HydrophobicContact CD1-CB 4.48Å; L321-V337 HydrophobicContact CD1-CG2 3.72Å; V324-V337 HydrophobicContact CG1-CB 4.2Å; V324-V337 HydrophobicContact CG1-CG1 4.46Å; V337-I356 WeakPolarHBondContact O-CA 3.44Å; V337-Y357 PolarHBondContact N-O 2.68Å; V337-Y357 PolarHBondContact O-N 3.05Å; V337-W367 HydrophobicContact CB-CH2 4.44Å; V337-W367 HydrophobicContact CB-CZ3 4.17Å; V337-W367 HydrophobicContact CG1-CH2 3.71Å; V337-W367 HydrophobicContact CG1-CZ3 3.85Å; V337-W367 HydrophobicContact CG2-CE3 3.76Å; V337-W367 HydrophobicContact CG2-CH2 3.87Å; V337-W367 HydrophobicContact CG2-CZ3 3.33Å; V337-L601 HydrophobicContact CG1-CD1 4.4Å
338	A	94.1	Very high	87.6	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	141.2	176.4	0	0	0	0	0	109.5	C325 A326 V354 E355 I356 Y379 L381	C325-A338 PolarHBondContact N-O 2.83Å; A326-A338 PolarHBondContact N-O 3.03Å; A326-A338 VanDerWaalsContact N-O 3.13Å; A326-A338 PolarHBondContact O-N 2.85Å; A338-V354 HydrophobicContact CB-CG1 4.04Å; A338-E355 WeakPolarHBondContact CA-O 3.34Å; A338-I356 HydrophobicContact CB-CD1 4.32Å; A338-I356 HydrophobicContact CB-CG1 3.93Å; A338-Y379 VanDerWaalsContact C-OH 3.26Å; A338-Y379 HydrophobicContact CB-CE2 4.03Å; A338-Y379 WeakPolarHBondContact CB-OH 3.35Å; A338-Y379 PolarHBondContact O-OH 3.35Å; A338-L381 HydrophobicContact CB-CD2 3.93Å
339	G	91.2	Very high	86.7	Confident	1 Å²	1	57.4 Å²	57.4	1%	0.01	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-172.5	-167.4	-174.3	0	0	0	0	0	113.9	Y323 E355 Y379	Y323-G339 CarbonylContact O-C 3.56Å; Y323-G339 WeakPolarHBondContact O-CA 3.34Å; G339-E355 PolarHBondContact N-O 3.07Å; G339-E355 PolarHBondContact O-N 3.25Å; G339-Y379 PolarHBondContact N-OH 3.11Å
340	E	87.3	Confident	85.5	Confident	43 Å²	43	65.4 Å²	65.4	20%	0.201	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	143.2	176	-60.4	-169.4	158.5	0	0	110.4	L321 G322 Y323 Y375	L321-E340 WeakPolarHBondContact CD2-O 3.29Å; G322-E340 PolarHBondContact N-O 2.96Å; Y323-E340 PolarHBondContact N-O 3.42Å; Y323-E340 PolarHBondContact O-N 2.93Å; E340-Y375 PolarHBondContact OE1-OH 3.45Å
341	A	82.4	Confident	84.4	Confident	3 Å²	3	70.2 Å²	70.2	3%	0.025	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-56.7	156.6	172.5	0	0	0	0	0	111.1	R345 M346 E355	A341-R345 HydrophobicContact CB-CB 4.25Å; A341-R345 HydrophobicContact CB-CG 4.38Å; A341-M346 HydrophobicContact CB-CG 3.87Å; A341-M346 WeakPolarHBondContact O-CE 3.39Å; A341-E355 HydrophobicContact CB-CG 3.99Å
342	S	79.3	Confident	84	Confident	7 Å²	7	69.4 Å²	69.4	5%	0.049	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-62.9	156.6	175.7	79.4	0	0	0	0	112	D319 R344 R345 M346	D319-S342 WeakPolarHBondContact OD1-CB 3.45Å; D319-S342 PolarHBondContact OD1-OG 2.97Å; D319-S342 PolarHBondContact OD2-OG 3.29Å; S342-R344 PolarHBondContact O-N 2.86Å; S342-R344 VanDerWaalsContact O-N 3.13Å; S342-R345 PolarHBondContact O-N 2.82Å; S342-R345 WeakPolarHBondContact OG-CB 3.29Å; S342-R345 PolarHBondContact OG-N 3.23Å; S342-R345 VanDerWaalsContact OG-N 3.15Å; S342-M346 WeakPolarHBondContact O-CB 3.38Å; S342-M346 WeakPolarHBondContact O-CG 3.44Å; S342-M346 PolarHBondContact O-N 2.74Å
343	A	77.1	Confident	83.9	Confident	75 Å²	75	63.7 Å²	63.7	62%	0.62	31%	0.313	S	S	*	.	H	α-helix	trans	-55	-34.8	177.3	0	0	0	0	0	113.3	M346 A347	A343-M346 HydrophobicContact CB-CE 4.35Å; A343-A347 PolarHBondContact O-N 3.37Å; A343-A347 VanDerWaalsContact O-N 3.13Å
344	R	76.3	Confident	83.9	Confident	187 Å²	187	60.9 Å²	60.9	71%	0.706	30%	0.298	S	S	*	.	H	α-helix	trans	-68	-41.7	176.7	-70.1	-179.8	177.6	-178.3	1.1	111.9	S342	S342-R344 PolarHBondContact O-N 2.86Å; S342-R344 VanDerWaalsContact O-N 3.13Å
345	R	77.2	Confident	83.9	Confident	71 Å²	71	60 Å²	60	27%	0.268	29%	0.293	S	S	.	.	H	α-helix	trans	-75.4	-38.9	179.8	-166.9	169.7	172.5	-138.8	-12.7	111.5	A341 S342 A347 R348 Q349 E355 Y357	A341-R345 HydrophobicContact CB-CB 4.25Å; A341-R345 HydrophobicContact CB-CG 4.38Å; S342-R345 PolarHBondContact O-N 2.82Å; S342-R345 WeakPolarHBondContact OG-CB 3.29Å; S342-R345 PolarHBondContact OG-N 3.23Å; S342-R345 VanDerWaalsContact OG-N 3.15Å; R345-A347 VanDerWaalsContact C-N 3.32Å; R345-A347 PolarHBondContact O-N 3.32Å; R345-R348 PolarHBondContact O-N 3.09Å; R345-Q349 PolarHBondContact O-N 3.26Å; R345-E355 IonicContact CZ-OE1 3.76Å; R345-E355 IonicContact CZ-OE2 2.78Å; R345-E355 VanDerWaalsContact CZ-OE2 3.26Å; R345-E355 IonicContact NH1-OE2 3.99Å; R345-E355 PolarHBondContact NH1-OE2 2.98Å; R345-E355 IonicContact NH2-OE1 2.72Å; R345-E355 IonicContact NH2-OE2 3.51Å; R345-E355 PolarHBondContact NH2-OE2 2.59Å; R345-Y357 PolarHBondContact NH1-OH 3.22Å
346	M	78.2	Confident	83.9	Confident	57 Å²	57	59.9 Å²	59.9	28%	0.281	29%	0.292	S	S	.	.	H	α-helix	trans	-56.9	-42.3	171.9	-73.4	-167.3	-74.9	0	0	112	A341 S342 A343 R348 Q349 M352	A341-M346 HydrophobicContact CB-CG 3.87Å; A341-M346 WeakPolarHBondContact O-CE 3.39Å; S342-M346 WeakPolarHBondContact O-CB 3.38Å; S342-M346 WeakPolarHBondContact O-CG 3.44Å; S342-M346 PolarHBondContact O-N 2.74Å; A343-M346 HydrophobicContact CB-CE 4.35Å; M346-R348 PolarHBondContact O-N 3.5Å; M346-R348 VanDerWaalsContact O-N 3.15Å; M346-Q349 PolarHBondContact O-N 3.12Å; M346-M352 HydrophobicContact CG-CE 4.46Å; M346-M352 HydrophobicContact CG-SD 4Å; M346-M352 HydrophobicContact SD-CE 3.48Å; M346-M352 WeakPolarHBondContact SD-CE 3.38Å; M346-M352 HydrophobicContact SD-SD 3.61Å; M346-M352 VanDerWaalsContact SD-SD 3.61Å
347	A	78.1	Confident	83.8	Confident	88 Å²	88	60.5 Å²	60.5	73%	0.727	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-19.6	177.8	0	0	0	0	0	114.1	A343 R345	A343-A347 PolarHBondContact O-N 3.37Å; A343-A347 VanDerWaalsContact O-N 3.13Å; R345-A347 VanDerWaalsContact C-N 3.32Å; R345-A347 PolarHBondContact O-N 3.32Å
348	R	78.6	Confident	83.8	Confident	223 Å²	223	63.2 Å²	63.2	84%	0.842	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	-19.1	177.7	-64.3	177.5	179.7	172.6	-0.3	112.9	R345 M346	R345-R348 PolarHBondContact O-N 3.09Å; M346-R348 PolarHBondContact O-N 3.5Å; M346-R348 VanDerWaalsContact O-N 3.15Å
349	Q	75.9	Confident	83.7	Confident	57 Å²	57	64 Å²	64	27%	0.266	31%	0.308	S	S	.	.			trans	-88.8	141.1	179.7	-75.8	175.6	-36.1	0	0	110.3	R345 M346 E355	R345-Q349 PolarHBondContact O-N 3.26Å; M346-Q349 PolarHBondContact O-N 3.12Å; Q349-E355 PolarHBondContact NE2-OE1 3.46Å; Q349-E355 VanDerWaalsContact NE2-OE1 3.11Å
350	K	70.7	Confident	83.6	Confident	199 Å²	199	67.4 Å²	67.4	87%	0.865	32%	0.323	S	S	*	.	S	Bend	trans	-79.7	-35.6	177.4	-171.5	179.7	177	-173.8	0	112
351	D	73	Confident	83.1	Confident	110 Å²	110	69 Å²	69	59%	0.588	34%	0.335	S	S	*	.	S	Bend	trans	-119.1	138.4	-176.7	-57.7	-48.4	0	0	0	109.7
352	M	82	Confident	82.5	Confident	76 Å²	76	74 Å²	74	37%	0.374	36%	0.358	S	S	.	.			trans	-73.1	139	169.4	-68.5	-70.6	-66.2	0	0	108.3	M346 Y375	M346-M352 HydrophobicContact CG-CE 4.46Å; M346-M352 HydrophobicContact CG-SD 4Å; M346-M352 HydrophobicContact SD-CE 3.48Å; M346-M352 WeakPolarHBondContact SD-CE 3.38Å; M346-M352 HydrophobicContact SD-SD 3.61Å; M346-M352 VanDerWaalsContact SD-SD 3.61Å; M352-Y375 HydrophobicContact CB-CD2 3.68Å; M352-Y375 HydrophobicContact CB-CE2 4.24Å; M352-Y375 HydrophobicContact CB-CG 3.95Å; M352-Y375 HydrophobicContact CE-CD2 4.34Å; M352-Y375 HydrophobicContact CE-CE2 3.9Å; M352-Y375 VanDerWaalsContact O-CB 3.31Å; M352-Y375 WeakPolarHBondContact O-CB 3.46Å
353	N	89.6	Confident	81.2	Confident	48 Å²	48	77 Å²	77	26%	0.257	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	161.1	176.8	-72.8	-37.7	0	0	0	110	A373	N353-A373 WeakPolarHBondContact CA-O 3.38Å; N353-A373 WeakPolarHBondContact CB-O 3.5Å
354	V	92.3	Very high	80.4	Confident	2 Å²	2	79.9 Å²	79.9	1%	0.012	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	116.2	162.9	174.5	0	0	0	0	107.7	A338 I356 S372 A373 R376 Y379	A338-V354 HydrophobicContact CB-CG1 4.04Å; V354-I356 HydrophobicContact CG1-CG1 4.23Å; V354-S372 CarbonylContact O-C 3.45Å; V354-S372 VanDerWaalsContact O-CA 3.25Å; V354-S372 WeakPolarHBondContact O-CA 3.3Å; V354-A373 HydrophobicContact CB-CB 4.26Å; V354-A373 PolarHBondContact N-O 2.91Å; V354-A373 PolarHBondContact O-N 3.05Å; V354-R376 HydrophobicContact CG2-CB 4.42Å; V354-Y379 HydrophobicContact CG1-CE1 4.13Å; V354-Y379 HydrophobicContact CG1-CE2 4.31Å; V354-Y379 VanDerWaalsContact CG1-OH 3.22Å; V354-Y379 WeakPolarHBondContact CG1-OH 3.32Å; V354-Y379 HydrophobicContact CG2-CD1 4.26Å; V354-Y379 HydrophobicContact CG2-CE1 3.62Å
355	E	93.6	Very high	80.4	Confident	9 Å²	9	71.3 Å²	71.3	4%	0.042	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	132	178.1	-62	-78.4	156.4	0	0	109.1	L321 A338 G339 A341 R345 Q349 Y357	L321-E355 HydrophobicContact CD2-CB 3.65Å; A338-E355 WeakPolarHBondContact CA-O 3.34Å; G339-E355 PolarHBondContact N-O 3.07Å; G339-E355 PolarHBondContact O-N 3.25Å; A341-E355 HydrophobicContact CB-CG 3.99Å; R345-E355 IonicContact CZ-OE1 3.76Å; R345-E355 IonicContact CZ-OE2 2.78Å; R345-E355 VanDerWaalsContact CZ-OE2 3.26Å; R345-E355 IonicContact NH1-OE2 3.99Å; R345-E355 PolarHBondContact NH1-OE2 2.98Å; R345-E355 IonicContact NH2-OE1 2.72Å; R345-E355 IonicContact NH2-OE2 3.51Å; R345-E355 PolarHBondContact NH2-OE2 2.59Å; Q349-E355 PolarHBondContact NE2-OE1 3.46Å; Q349-E355 VanDerWaalsContact NE2-OE1 3.11Å; E355-Y357 HydrophobicContact CB-CD2 4.48Å; E355-Y357 HydrophobicContact CB-CE2 3.99Å
356	I	95.1	Very high	80.8	Confident	1 Å²	1	70.4 Å²	70.4	1%	0.005	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	129.9	-177.3	-51.5	-167.7	0	0	0	109.6	I336 V337 A338 V354 L370 T371 L381 L388 W417	I336-I356 HydrophobicContact CG2-CG2 3.45Å; I336-I356 VanDerWaalsContact CG2-CG2 3.45Å; V337-I356 WeakPolarHBondContact O-CA 3.44Å; A338-I356 HydrophobicContact CB-CD1 4.32Å; A338-I356 HydrophobicContact CB-CG1 3.93Å; V354-I356 HydrophobicContact CG1-CG1 4.23Å; I356-L370 HydrophobicContact CG2-CB 4.48Å; I356-L370 HydrophobicContact CG2-CD2 4.24Å; I356-L370 WeakPolarHBondContact O-CB 3.35Å; I356-L370 PolarHBondContact O-N 2.86Å; I356-T371 HydrophobicContact CB-CG2 3.98Å; I356-T371 WeakPolarHBondContact CB-O 3.15Å; I356-T371 HydrophobicContact CD1-CG2 3.97Å; I356-T371 HydrophobicContact CG1-CG2 4.22Å; I356-T371 PolarHBondContact N-O 2.84Å; I356-T371 PolarHBondContact O-N 2.84Å; I356-L381 HydrophobicContact CD1-CD1 4.5Å; I356-L388 HydrophobicContact CG2-CD1 4.34Å; I356-W417 HydrophobicContact CD1-CH2 3.71Å; I356-W417 HydrophobicContact CD1-CZ2 3.51Å
357	Y	94.4	Very high	81.4	Confident	13 Å²	13	68.9 Å²	68.9	5%	0.051	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	148.2	-178.3	-75.9	-100.6	0	0	0	111.8	A320 L321 I336 V337 R345 E355 W367 E368 P369	A320-Y357 WeakPolarHBondContact CA-OH 3.17Å; A320-Y357 HydrophobicContact CB-CD1 3.91Å; A320-Y357 HydrophobicContact CB-CE1 3.58Å; A320-Y357 HydrophobicContact CB-CE2 4.29Å; A320-Y357 HydrophobicContact CB-CG 4.44Å; A320-Y357 VanDerWaalsContact O-CE2 3.24Å; A320-Y357 WeakPolarHBondContact O-CE2 3.45Å; A320-Y357 VanDerWaalsContact O-CZ 3.29Å; A320-Y357 PolarHBondContact O-OH 2.95Å; L321-Y357 HydrophobicContact CD1-CD2 4.12Å; L321-Y357 HydrophobicContact CD2-CD2 3.76Å; L321-Y357 HydrophobicContact CD2-CE2 3.68Å; L321-Y357 HydrophobicContact CG-CD2 3.67Å; L321-Y357 HydrophobicContact CG-CE2 3.86Å; I336-Y357 WeakPolarHBondContact CA-O 3.15Å; V337-Y357 PolarHBondContact N-O 2.68Å; V337-Y357 PolarHBondContact O-N 3.05Å; R345-Y357 PolarHBondContact NH1-OH 3.22Å; E355-Y357 HydrophobicContact CB-CD2 4.48Å; E355-Y357 HydrophobicContact CB-CE2 3.99Å; Y357-W367 HydrophobicContact CD1-CB 4.11Å; Y357-E368 CarbonylContact C-O 3.54Å; Y357-E368 VanDerWaalsContact CA-O 3.23Å; Y357-E368 WeakPolarHBondContact CA-O 3.42Å; Y357-E368 WeakPolarHBondContact CD1-O 3.48Å; Y357-P369 HydrophobicContact CD1-CB 4.23Å; Y357-P369 HydrophobicContact CE1-CB 3.75Å; Y357-P369 HydrophobicContact CE1-CG 4.4Å
358	R	94	Very high	82	Confident	58 Å²	58	67.2 Å²	67.2	22%	0.219	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	141.1	171.8	-170.1	-165.9	-143.9	152.6	7.6	109.7	D334 I335 I336 W367 E368	D334-R358 IonicContact OD1-CZ 3.67Å; D334-R358 IonicContact OD1-NE 2.61Å; D334-R358 PolarHBondContact OD1-NE 2.79Å; D334-R358 IonicContact OD1-NH2 2.77Å; D334-R358 PolarHBondContact OD1-NH2 2.89Å; D334-R358 IonicContact OD2-CZ 2.77Å; D334-R358 IonicContact OD2-NE 3.86Å; D334-R358 IonicContact OD2-NH2 2.67Å; D334-R358 PolarHBondContact OD2-NH2 3.43Å; I335-R358 WeakPolarHBondContact O-CA 2.68Å; I336-R358 HydrophobicContact CG1-CB 4.47Å; I336-R358 HydrophobicContact CG1-CG 4.27Å; R358-W367 WeakPolarHBondContact O-CA 3.11Å; R358-E368 HydrophobicContact CB-CG 3.9Å; R358-E368 VanDerWaalsContact CD-OE1 3.27Å; R358-E368 WeakPolarHBondContact CD-OE1 3.34Å; R358-E368 PolarHBondContact N-O 2.94Å; R358-E368 PolarHBondContact O-N 3.27Å
359	Y	92.6	Very high	82.6	Confident	16 Å²	16	61 Å²	61	6%	0.063	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	126.5	172.4	-172.4	-109.9	0	0	0	111.2	I312 T313 I335 V361 G365 S366 W367	I312-Y359 HydrophobicContact CB-CE2 4.13Å; I312-Y359 WeakPolarHBondContact CB-OH 3.08Å; I312-Y359 HydrophobicContact CD1-CE2 4.3Å; I312-Y359 HydrophobicContact CG2-CE1 4.35Å; I312-Y359 WeakPolarHBondContact CG2-OH 3.2Å; T313-Y359 WeakPolarHBondContact OG1-CE2 3.28Å; I335-Y359 HydrophobicContact CD1-CD1 3.85Å; I335-Y359 HydrophobicContact CD1-CG 4.4Å; I335-Y359 PolarHBondContact O-N 2.92Å; Y359-V361 HydrophobicContact CD1-CG2 4.09Å; Y359-V361 HydrophobicContact CE1-CG2 4.17Å; Y359-G365 WeakPolarHBondContact OH-CA 3.49Å; Y359-S366 CarbonylContact C-O 3.53Å; Y359-S366 WeakPolarHBondContact CA-O 3.33Å; Y359-W367 HydrophobicContact CD2-CD2 4.01Å; Y359-W367 AromaticContact CD2-CE2 3.59Å; Y359-W367 HydrophobicContact CD2-CE3 4.45Å; Y359-W367 HydrophobicContact CD2-CH2 4.23Å; Y359-W367 AromaticContact CD2-CZ2 3.73Å; Y359-W367 HydrophobicContact CD2-CZ2 3.73Å; Y359-W367 AromaticContact CD2-NE1 3.81Å; Y359-W367 HydrophobicContact CG-CH2 4.43Å; Y359-W367 HydrophobicContact CG-CZ2 4.35Å
360	K	87.6	Confident	83.4	Confident	72 Å²	72	60 Å²	60	31%	0.313	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	130.3	167.6	-69	-161.5	179.2	-176.4	0	110.3	E362 G365 S366 E368	K360-E362 VanDerWaalsContact C-N 3.26Å; K360-E362 PolarHBondContact O-N 2.86Å; K360-G365 CarbonylContact O-C 3.47Å; K360-G365 VanDerWaalsContact O-CA 3.23Å; K360-G365 WeakPolarHBondContact O-CA 3.41Å; K360-S366 PolarHBondContact N-O 2.92Å; K360-S366 PolarHBondContact O-N 2.79Å; K360-E368 WeakPolarHBondContact CE-OE2 3.29Å; K360-E368 HydrophobicContact CG-CB 4.48Å; K360-E368 HydrophobicContact CG-CG 4.23Å; K360-E368 IonicContact NZ-OE2 3.18Å; K360-E368 PolarHBondContact NZ-OE2 3.03Å
361	V	76.4	Confident	84.6	Confident	78 Å²	78	51.9 Å²	51.9	47%	0.473	28%	0.278	S	S	.	.			trans	-82.2	-0.9	-177	-173.7	0	0	0	0	112.7	Y359 L605	Y359-V361 HydrophobicContact CD1-CG2 4.09Å; Y359-V361 HydrophobicContact CE1-CG2 4.17Å; V361-L605 HydrophobicContact CG1-CD2 4.35Å; V361-L605 HydrophobicContact CG2-CD2 3.87Å
362	E	70.6	Confident	85.6	Confident	106 Å²	106	49.3 Å²	49.3	50%	0.495	27%	0.269	S	S	.	.	S	Bend	trans	-69.3	134.3	-174.6	-68.6	168.9	-167.7	0	0	113.4	K360 Q364 G365	K360-E362 VanDerWaalsContact C-N 3.26Å; K360-E362 PolarHBondContact O-N 2.86Å; E362-Q364 PolarHBondContact O-N 3.06Å; E362-G365 PolarHBondContact O-N 3.41Å
363	A	51.5	Low	86.1	Confident	71 Å²	71	45.9 Å²	45.9	59%	0.587	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	41.7	-31.5	170.8	0	0	0	0	0	121.3
364	Q	60.7	Low	86.2	Confident	136 Å²	136	48.7 Å²	48.7	64%	0.636	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-150.6	-2.4	175.4	-62.9	-171.5	3.3	0	0	112.9	T313 E362	T313-Q364 WeakPolarHBondContact CG2-O 3.25Å; E362-Q364 PolarHBondContact O-N 3.06Å
365	G	76.1	Confident	86	Confident	6 Å²	6	50.9 Å²	50.9	6%	0.062	27%	0.273	C	S	.	.			trans	78.4	125.6	-172.9	0	0	0	0	0	112.3	T313 Y359 K360 E362	T313-G365 WeakPolarHBondContact CB-O 3.21Å; T313-G365 WeakPolarHBondContact CG2-O 3.19Å; T313-G365 PolarHBondContact OG1-O 3.5Å; Y359-G365 WeakPolarHBondContact OH-CA 3.49Å; K360-G365 CarbonylContact O-C 3.47Å; K360-G365 VanDerWaalsContact O-CA 3.23Å; K360-G365 WeakPolarHBondContact O-CA 3.41Å; E362-G365 PolarHBondContact O-N 3.41Å
366	S	86.7	Confident	85.8	Confident	53 Å²	53	50.7 Å²	50.7	37%	0.371	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	164.7	173.8	66.5	0	0	0	0	111.7	Y359 K360	Y359-S366 CarbonylContact C-O 3.53Å; Y359-S366 WeakPolarHBondContact CA-O 3.33Å; K360-S366 PolarHBondContact N-O 2.92Å; K360-S366 PolarHBondContact O-N 2.79Å
367	W	89.9	Confident	85.5	Confident	25 Å²	25	52.9 Å²	52.9	10%	0.095	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	120.6	178	-67.3	90.8	0	0	0	109.2	V281 I312 T313 S314 P315 A320 I335 V337 Y357 R358 Y359	V281-W367 HydrophobicContact CG1-CZ2 4.3Å; I312-W367 HydrophobicContact CD1-CZ2 4.44Å; T313-W367 PolarHBondContact O-NE1 2.92Å; S314-W367 VanDerWaalsContact C-NE1 3.3Å; P315-W367 HydrophobicContact CB-CD2 4.3Å; P315-W367 HydrophobicContact CB-CG 4.46Å; P315-W367 HydrophobicContact CG-CD2 4.05Å; P315-W367 HydrophobicContact CG-CH2 4.11Å; P315-W367 HydrophobicContact CG-CZ2 3.62Å; A320-W367 HydrophobicContact CB-CB 4.17Å; I335-W367 HydrophobicContact CG2-CH2 4.02Å; I335-W367 HydrophobicContact CG2-CZ3 4.46Å; V337-W367 HydrophobicContact CB-CH2 4.44Å; V337-W367 HydrophobicContact CB-CZ3 4.17Å; V337-W367 HydrophobicContact CG1-CH2 3.71Å; V337-W367 HydrophobicContact CG1-CZ3 3.85Å; V337-W367 HydrophobicContact CG2-CE3 3.76Å; V337-W367 HydrophobicContact CG2-CH2 3.87Å; V337-W367 HydrophobicContact CG2-CZ3 3.33Å; Y357-W367 HydrophobicContact CD1-CB 4.11Å; R358-W367 WeakPolarHBondContact O-CA 3.11Å; Y359-W367 HydrophobicContact CD2-CD2 4.01Å; Y359-W367 AromaticContact CD2-CE2 3.59Å; Y359-W367 HydrophobicContact CD2-CE3 4.45Å; Y359-W367 HydrophobicContact CD2-CH2 4.23Å; Y359-W367 AromaticContact CD2-CZ2 3.73Å; Y359-W367 HydrophobicContact CD2-CZ2 3.73Å; Y359-W367 AromaticContact CD2-NE1 3.81Å; Y359-W367 HydrophobicContact CG-CH2 4.43Å; Y359-W367 HydrophobicContact CG-CZ2 4.35Å
368	E	90.3	Very high	85.3	Confident	53 Å²	53	52.4 Å²	52.4	25%	0.248	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	138.4	175.8	69.4	173.3	164	0	0	111.2	Y357 R358 K360 L370	Y357-E368 CarbonylContact C-O 3.54Å; Y357-E368 VanDerWaalsContact CA-O 3.23Å; Y357-E368 WeakPolarHBondContact CA-O 3.42Å; Y357-E368 WeakPolarHBondContact CD1-O 3.48Å; R358-E368 HydrophobicContact CB-CG 3.9Å; R358-E368 VanDerWaalsContact CD-OE1 3.27Å; R358-E368 WeakPolarHBondContact CD-OE1 3.34Å; R358-E368 PolarHBondContact N-O 2.94Å; R358-E368 PolarHBondContact O-N 3.27Å; K360-E368 WeakPolarHBondContact CE-OE2 3.29Å; K360-E368 HydrophobicContact CG-CB 4.48Å; K360-E368 HydrophobicContact CG-CG 4.23Å; K360-E368 IonicContact NZ-OE2 3.18Å; K360-E368 PolarHBondContact NZ-OE2 3.03Å; E368-L370 PolarHBondContact O-N 2.81Å
369	P	91.9	Very high	85.3	Confident	91 Å²	91	49.8 Å²	49.8	59%	0.591	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.7	130	174.7	28.5	-33.2	0	0	0	109.5	Y357	Y357-P369 HydrophobicContact CD1-CB 4.23Å; Y357-P369 HydrophobicContact CE1-CB 3.75Å; Y357-P369 HydrophobicContact CE1-CG 4.4Å
370	L	93.5	Very high	85.4	Confident	36 Å²	36	49.3 Å²	49.3	19%	0.188	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	-52.5	-177.1	-171.7	65.2	0	0	0	111.3	I336 I356 E368 L388 W410 L412	I336-L370 HydrophobicContact CD1-CD2 4.01Å; I336-L370 HydrophobicContact CG1-CD2 4.44Å; I336-L370 HydrophobicContact CG2-CD2 4.38Å; I356-L370 HydrophobicContact CG2-CB 4.48Å; I356-L370 HydrophobicContact CG2-CD2 4.24Å; I356-L370 WeakPolarHBondContact O-CB 3.35Å; I356-L370 PolarHBondContact O-N 2.86Å; E368-L370 PolarHBondContact O-N 2.81Å; L370-L388 HydrophobicContact CD2-CD1 4.14Å; L370-W410 HydrophobicContact CD1-CH2 3.77Å; L370-W410 HydrophobicContact CD1-CZ3 4.12Å; L370-W410 HydrophobicContact CD2-CH2 4.16Å; L370-W410 HydrophobicContact CD2-CZ3 3.69Å; L370-W410 HydrophobicContact CG-CH2 3.56Å; L370-W410 HydrophobicContact CG-CZ3 3.63Å; L370-L412 HydrophobicContact CD2-CD2 4.08Å
371	T	94.8	Very high	85.8	Confident	29 Å²	29	46.4 Å²	46.4	18%	0.178	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.4	169.4	-179.8	-171.6	0	0	0	0	110.4	I356 W410 W417	I356-T371 HydrophobicContact CB-CG2 3.98Å; I356-T371 WeakPolarHBondContact CB-O 3.15Å; I356-T371 HydrophobicContact CD1-CG2 3.97Å; I356-T371 HydrophobicContact CG1-CG2 4.22Å; I356-T371 PolarHBondContact N-O 2.84Å; I356-T371 PolarHBondContact O-N 2.84Å; T371-W410 HydrophobicContact CG2-CD2 3.91Å; T371-W410 HydrophobicContact CG2-CE3 4.01Å; T371-W410 HydrophobicContact CG2-CG 4.43Å; T371-W410 HydrophobicContact CG2-CH2 4.37Å; T371-W410 HydrophobicContact CG2-CZ2 4.26Å; T371-W410 HydrophobicContact CG2-CZ3 4.22Å; T371-W417 HydrophobicContact CG2-CZ2 3.66Å; T371-W417 PolarHBondContact OG1-NE1 2.92Å
372	S	93.8	Very high	86.7	Confident	56 Å²	56	42.9 Å²	42.9	39%	0.392	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	146.9	168.7	60.5	0	0	0	0	110.7	V354 W417	V354-S372 CarbonylContact O-C 3.45Å; V354-S372 VanDerWaalsContact O-CA 3.25Å; V354-S372 WeakPolarHBondContact O-CA 3.3Å; S372-W417 PolarHBondContact O-NE1 2.91Å
373	A	93.1	Very high	88	Confident	5 Å²	5	38.2 Å²	38.2	4%	0.041	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	165.8	176.1	0	0	0	0	0	110.8	N353 V354 L390 W417	N353-A373 WeakPolarHBondContact CA-O 3.38Å; N353-A373 WeakPolarHBondContact CB-O 3.5Å; V354-A373 HydrophobicContact CB-CB 4.26Å; V354-A373 PolarHBondContact N-O 2.91Å; V354-A373 PolarHBondContact O-N 3.05Å; A373-L390 HydrophobicContact CB-CD2 3.79Å; A373-W417 HydrophobicContact CB-CD2 4.17Å; A373-W417 HydrophobicContact CB-CH2 4.42Å; A373-W417 HydrophobicContact CB-CZ2 3.81Å
374	E	90.6	Very high	90	Very high	107 Å²	107	35.4 Å²	35.4	50%	0.5	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	141.2	175.6	-167.8	-177.8	-171.8	0	0	110.6	R376 M395	E374-R376 PolarHBondContact O-N 2.85Å; E374-M395 HydrophobicContact CG-CE 4.28Å; E374-M395 WeakPolarHBondContact OE1-CE 3.5Å; E374-M395 VanDerWaalsContact OE2-CE 3.3Å; E374-M395 WeakPolarHBondContact OE2-CE 3.3Å
375	Y	89.2	Confident	91.5	Very high	47 Å²	47	30.4 Å²	30.4	18%	0.184	18%	0.178	C	C	.	.			trans	-55.9	125.6	-177.9	-179.6	-104.4	0	0	0	112.9	E340 M352	E340-Y375 PolarHBondContact OE1-OH 3.45Å; M352-Y375 HydrophobicContact CB-CD2 3.68Å; M352-Y375 HydrophobicContact CB-CE2 4.24Å; M352-Y375 HydrophobicContact CB-CG 3.95Å; M352-Y375 HydrophobicContact CE-CD2 4.34Å; M352-Y375 HydrophobicContact CE-CE2 3.9Å; M352-Y375 VanDerWaalsContact O-CB 3.31Å; M352-Y375 WeakPolarHBondContact O-CB 3.46Å
376	R	89.9	Confident	92.2	Very high	5 Å²	5	31.5 Å²	31.5	2%	0.019	18%	0.183	C	C	.	.			trans	-141	144.8	168.9	-59.8	-167.3	-177.2	142.1	14.3	108.9	V354 E374 Y379 G392 Q394 M395 E408	V354-R376 HydrophobicContact CG2-CB 4.42Å; E374-R376 PolarHBondContact O-N 2.85Å; R376-Y379 HydrophobicContact CB-CD1 3.77Å; R376-Y379 HydrophobicContact CB-CG 4.39Å; R376-Y379 WeakPolarHBondContact O-CD1 3.44Å; R376-Y379 WeakPolarHBondContact O-CE1 3.29Å; R376-G392 VanDerWaalsContact CD-O 3.24Å; R376-G392 WeakPolarHBondContact CD-O 3.47Å; R376-Q394 WeakPolarHBondContact CA-O 2.95Å; R376-M395 HydrophobicContact CG-CG 3.95Å; R376-E408 IonicContact CZ-OE2 3.29Å; R376-E408 VanDerWaalsContact CZ-OE2 3.29Å; R376-E408 IonicContact NH1-OE2 3.47Å; R376-E408 PolarHBondContact NH1-OE2 2.9Å; R376-E408 VanDerWaalsContact NH2-CD 3.26Å; R376-E408 IonicContact NH2-OE2 2.67Å; R376-E408 PolarHBondContact NH2-OE2 3.49Å
377	D	88.2	Confident	92.7	Very high	47 Å²	47	30.6 Å²	30.6	25%	0.251	18%	0.175	S	C	.	.	B	Isolated β-bridge	trans	-105.3	154	165.6	-172.4	7.1	0	0	0	109.4	Y379 G393 Q394	D377-Y379 PolarHBondContact O-N 3.33Å; D377-G393 CarbonylContact O-C 3.54Å; D377-G393 VanDerWaalsContact O-CA 3.22Å; D377-G393 WeakPolarHBondContact O-CA 3.36Å; D377-Q394 PolarHBondContact N-O 2.95Å; D377-Q394 PolarHBondContact O-N 2.87Å
378	S	90.6	Very high	93.1	Very high	4 Å²	4	29.4 Å²	29.4	3%	0.028	17%	0.171	C	C	.	.	S	Bend	trans	57.2	28	168.7	-54.2	0	0	0	0	114.1	Y429	S378-Y429 PolarHBondContact O-N 2.92Å; S378-Y429 WeakPolarHBondContact OG-CE1 3.2Å; S378-Y429 PolarHBondContact OG-OH 3.49Å; S378-Y429 VanDerWaalsContact OG-OH 3.1Å
379	Y	94.1	Very high	93.4	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.008	16%	0.16	C	C	.	.			trans	-75.8	170.1	172.1	58.6	-93.8	0	0	0	110.6	C325 A326 A338 G339 V354 R376 D377 L390 N544	C325-Y379 HydrophobicContact CB-CE1 4.1Å; A326-Y379 HydrophobicContact CB-CD2 4.32Å; A326-Y379 HydrophobicContact CB-CE2 3.86Å; A338-Y379 VanDerWaalsContact C-OH 3.26Å; A338-Y379 HydrophobicContact CB-CE2 4.03Å; A338-Y379 WeakPolarHBondContact CB-OH 3.35Å; A338-Y379 PolarHBondContact O-OH 3.35Å; G339-Y379 PolarHBondContact N-OH 3.11Å; V354-Y379 HydrophobicContact CG1-CE1 4.13Å; V354-Y379 HydrophobicContact CG1-CE2 4.31Å; V354-Y379 VanDerWaalsContact CG1-OH 3.22Å; V354-Y379 WeakPolarHBondContact CG1-OH 3.32Å; V354-Y379 HydrophobicContact CG2-CD1 4.26Å; V354-Y379 HydrophobicContact CG2-CE1 3.62Å; R376-Y379 HydrophobicContact CB-CD1 3.77Å; R376-Y379 HydrophobicContact CB-CG 4.39Å; R376-Y379 WeakPolarHBondContact O-CD1 3.44Å; R376-Y379 WeakPolarHBondContact O-CE1 3.29Å; D377-Y379 PolarHBondContact O-N 3.33Å; Y379-L390 HydrophobicContact CD1-CD1 4.47Å; Y379-L390 HydrophobicContact CD2-CD1 3.22Å; Y379-L390 HydrophobicContact CD2-CG 4.42Å; Y379-L390 HydrophobicContact CE2-CD1 3.55Å; Y379-L390 HydrophobicContact CG-CD1 3.73Å; Y379-N544 PolarHBondContact O-ND2 3.09Å
380	A	94.5	Very high	93.7	Very high	6 Å²	6	22.8 Å²	22.8	5%	0.05	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	148.6	165.5	0	0	0	0	0	110.4	L391 H430 V432	A380-L391 PolarHBondContact N-O 3.42Å; A380-L391 PolarHBondContact O-N 3.47Å; A380-H430 VanDerWaalsContact CB-NE2 3.33Å; A380-H430 WeakPolarHBondContact CB-NE2 3.36Å; A380-V432 HydrophobicContact CB-CB 4.17Å; A380-V432 HydrophobicContact CB-CG2 3.46Å; A380-V432 VanDerWaalsContact CB-CG2 3.46Å
381	L	95.8	Very high	93.8	Very high	11 Å²	11	21.1 Å²	21.1	6%	0.058	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	129.8	174.3	-168.4	71.6	0	0	0	108.5	A326 V328 I336 A338 I356 Y389 L390	A326-L381 HydrophobicContact CB-CB 3.68Å; V328-L381 HydrophobicContact CG1-CB 4.07Å; V328-L381 HydrophobicContact CG1-CD2 4.07Å; V328-L381 HydrophobicContact CG1-CG 3.9Å; V328-L381 WeakPolarHBondContact CG1-O 3.49Å; V328-L381 HydrophobicContact CG2-CD2 3.87Å; V328-L381 HydrophobicContact CG2-CG 4.26Å; I336-L381 HydrophobicContact CG2-CD2 4.46Å; A338-L381 HydrophobicContact CB-CD2 3.93Å; I356-L381 HydrophobicContact CD1-CD1 4.5Å; L381-Y389 WeakPolarHBondContact CA-O 3.41Å; L381-L390 HydrophobicContact CD1-CD1 4.3Å
382	G	95.8	Very high	93.9	Very high	4 Å²	4	19.7 Å²	19.7	4%	0.041	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	158.6	174.1	0	0	0	0	0	111.1	Y389	G382-Y389 PolarHBondContact N-O 3.45Å; G382-Y389 PolarHBondContact O-N 3.25Å
383	S	96.3	Very high	93.8	Very high	8 Å²	8	17 Å²	17	6%	0.056	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	144.3	171	64.8	0	0	0	0	110.7	T387 R434	S383-T387 WeakPolarHBondContact CA-O 3.26Å; S383-R434 VanDerWaalsContact O-CD 3.3Å; S383-R434 WeakPolarHBondContact O-CD 3.16Å
384	L	95.4	Very high	93.7	Very high	12 Å²	12	18 Å²	18	6%	0.063	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	118.5	171.4	-79.2	174.6	0	0	0	108.5	D386 T387 Y389 R434 D437 L439 P468	L384-D386 PolarHBondContact O-N 2.76Å; L384-T387 PolarHBondContact N-O 3.49Å; L384-T387 WeakPolarHBondContact O-CB 3.42Å; L384-T387 PolarHBondContact O-N 2.79Å; L384-Y389 HydrophobicContact CB-CE2 4.03Å; L384-Y389 HydrophobicContact CD1-CE2 4.19Å; L384-Y389 HydrophobicContact CG-CE2 4.48Å; L384-R434 HydrophobicContact CD2-CG 3.64Å; L384-D437 VanDerWaalsContact CD2-C 3.47Å; L384-D437 WeakPolarHBondContact CD2-O 3.41Å; L384-L439 HydrophobicContact CD1-CD1 4.22Å; L384-L439 HydrophobicContact CD1-CD2 4.14Å; L384-L439 HydrophobicContact CD1-CG 3.61Å; L384-L439 HydrophobicContact CD2-CD2 4.35Å; L384-L439 HydrophobicContact CG-CD2 3.81Å; L384-L439 HydrophobicContact CG-CG 3.88Å; L384-P468 HydrophobicContact CD1-CB 4.18Å; L384-P468 HydrophobicContact CD1-CG 3.88Å
385	G	90.8	Very high	93.5	Very high	31 Å²	31	14.3 Å²	14.3	32%	0.32	8%	0.082	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.5	-125.9	-172.1	0	0	0	0	0	111.9	T387	G385-T387 VanDerWaalsContact C-N 3.29Å; G385-T387 PolarHBondContact O-N 2.8Å
386	D	92.2	Very high	93.2	Very high	29 Å²	29	17.8 Å²	17.8	16%	0.155	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	18.9	178	-73.3	-10.2	0	0	0	113.5	R332 L384 S411 L412	R332-D386 VanDerWaalsContact CZ-CG 3.49Å; R332-D386 IonicContact CZ-OD1 3.54Å; R332-D386 IonicContact CZ-OD2 2.8Å; R332-D386 VanDerWaalsContact CZ-OD2 3.28Å; R332-D386 IonicContact NE-OD1 3.78Å; R332-D386 PolarHBondContact NE-OD1 3.08Å; R332-D386 IonicContact NH1-OD1 3.17Å; R332-D386 PolarHBondContact NH1-OD1 3.46Å; R332-D386 IonicContact NH1-OD2 3.95Å; R332-D386 PolarHBondContact NH1-OD2 2.88Å; R332-D386 VanDerWaalsContact NH1-OD2 3.09Å; R332-D386 VanDerWaalsContact NH2-CG 3.26Å; R332-D386 IonicContact NH2-OD1 2.63Å; R332-D386 PolarHBondContact NH2-OD1 2.83Å; R332-D386 IonicContact NH2-OD2 3.77Å; R332-D386 PolarHBondContact NH2-OD2 2.86Å; L384-D386 PolarHBondContact O-N 2.76Å; D386-S411 CarbonylContact O-C 3.56Å; D386-S411 WeakPolarHBondContact O-CA 3.18Å; D386-L412 HydrophobicContact CB-CB 4.43Å; D386-L412 WeakPolarHBondContact O-CG 3.38Å; D386-L412 PolarHBondContact O-N 3.15Å
387	T	96.3	Very high	92.6	Very high	35 Å²	35	22.7 Å²	22.7	22%	0.215	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	128.4	-176.9	-53.1	0	0	0	0	112	S383 L384 G385 Y389 R409 W410	S383-T387 WeakPolarHBondContact CA-O 3.26Å; L384-T387 PolarHBondContact N-O 3.49Å; L384-T387 WeakPolarHBondContact O-CB 3.42Å; L384-T387 PolarHBondContact O-N 2.79Å; G385-T387 VanDerWaalsContact C-N 3.29Å; G385-T387 PolarHBondContact O-N 2.8Å; T387-Y389 HydrophobicContact CG2-CD2 4.05Å; T387-Y389 HydrophobicContact CG2-CE2 3.44Å; T387-Y389 VanDerWaalsContact CG2-CE2 3.44Å; T387-R409 HydrophobicContact CG2-CB 3.75Å; T387-R409 HydrophobicContact CG2-CG 4.47Å; T387-W410 CarbonylContact C-O 3.55Å; T387-W410 WeakPolarHBondContact CA-O 3.48Å
388	L	97.7	Very high	92	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	142.4	167.7	-64.9	-179.1	0	0	0	110.3	V328 I336 I356 L370 R409 W410 L412	V328-L388 HydrophobicContact CG2-CD2 3.91Å; I336-L388 HydrophobicContact CD1-CD1 4.16Å; I336-L388 HydrophobicContact CD1-CD2 4.03Å; I336-L388 HydrophobicContact CG2-CD1 4.13Å; I356-L388 HydrophobicContact CG2-CD1 4.34Å; L370-L388 HydrophobicContact CD2-CD1 4.14Å; L388-R409 CarbonylContact O-C 3.52Å; L388-R409 WeakPolarHBondContact O-CA 3.4Å; L388-W410 HydrophobicContact CD1-CE3 3.98Å; L388-W410 HydrophobicContact CD1-CZ3 4.26Å; L388-W410 HydrophobicContact CG-CE3 4.44Å; L388-W410 PolarHBondContact N-O 3.11Å; L388-W410 PolarHBondContact O-N 3.34Å; L388-L412 HydrophobicContact CD1-CD2 3.98Å; L388-L412 HydrophobicContact CD2-CD2 4.38Å; L388-L412 HydrophobicContact CG-CD2 3.88Å
389	Y	97.8	Very high	91.1	Very high	5 Å²	5	36.4 Å²	36.4	2%	0.02	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	127.4	176.6	-69.7	-98.8	0	0	0	109.9	L381 G382 L384 T387 L391 V407 E408 R409 A420 L439 Y466	L381-Y389 WeakPolarHBondContact CA-O 3.41Å; G382-Y389 PolarHBondContact N-O 3.45Å; G382-Y389 PolarHBondContact O-N 3.25Å; L384-Y389 HydrophobicContact CB-CE2 4.03Å; L384-Y389 HydrophobicContact CD1-CE2 4.19Å; L384-Y389 HydrophobicContact CG-CE2 4.48Å; T387-Y389 HydrophobicContact CG2-CD2 4.05Å; T387-Y389 HydrophobicContact CG2-CE2 3.44Å; T387-Y389 VanDerWaalsContact CG2-CE2 3.44Å; Y389-L391 WeakPolarHBondContact O-CD1 3.5Å; Y389-V407 HydrophobicContact CD1-CG1 4.17Å; Y389-E408 CarbonylContact C-O 3.56Å; Y389-E408 VanDerWaalsContact CA-O 3.31Å; Y389-E408 WeakPolarHBondContact CA-O 3.39Å; Y389-R409 HydrophobicContact CD1-CB 3.83Å; Y389-R409 HydrophobicContact CE1-CB 3.71Å; Y389-R409 HydrophobicContact CE1-CG 4.47Å; Y389-R409 HydrophobicContact CG-CB 4.39Å; Y389-A420 HydrophobicContact CE1-CB 4.46Å; Y389-L439 HydrophobicContact CD1-CD1 4.25Å; Y389-L439 HydrophobicContact CD2-CD1 3.83Å; Y389-L439 HydrophobicContact CE2-CD1 4.49Å; Y389-L439 HydrophobicContact CG-CD1 3.7Å; Y389-Y466 HydrophobicContact CD1-CE1 4.21Å; Y389-Y466 HydrophobicContact CE1-CD1 4.37Å; Y389-Y466 AromaticContact CE1-CE1 3.48Å; Y389-Y466 HydrophobicContact CE1-CE1 3.48Å; Y389-Y466 VanDerWaalsContact CE1-CE1 3.48Å; Y389-Y466 AromaticContact CZ-CE1 3.92Å
390	L	97	Very high	90.2	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	111.8	173.1	-171.7	72.9	0	0	0	108.4	A373 Y379 L381 V407 E408 W417	A373-L390 HydrophobicContact CB-CD2 3.79Å; Y379-L390 HydrophobicContact CD1-CD1 4.47Å; Y379-L390 HydrophobicContact CD2-CD1 3.22Å; Y379-L390 HydrophobicContact CD2-CG 4.42Å; Y379-L390 HydrophobicContact CE2-CD1 3.55Å; Y379-L390 HydrophobicContact CG-CD1 3.73Å; L381-L390 HydrophobicContact CD1-CD1 4.3Å; L390-V407 WeakPolarHBondContact O-CA 3.42Å; L390-E408 PolarHBondContact N-O 3.33Å; L390-E408 PolarHBondContact O-N 3.35Å; L390-W417 HydrophobicContact CB-CH2 4.22Å; L390-W417 HydrophobicContact CB-CZ3 3.82Å
391	L	96.9	Very high	89.6	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	129.3	-167.8	-54.3	99.8	0	0	0	111.8	A380 Y389 V407 H430 V432 L439 V441 W473	A380-L391 PolarHBondContact N-O 3.42Å; A380-L391 PolarHBondContact O-N 3.47Å; Y389-L391 WeakPolarHBondContact O-CD1 3.5Å; L391-V407 HydrophobicContact CD2-CG1 4.23Å; L391-V407 HydrophobicContact CD2-CG2 4.48Å; L391-V407 HydrophobicContact CG-CG1 4.17Å; L391-H430 PolarHBondContact O-CE1 3.24Å; L391-H430 PolarHBondContact O-NE2 2.93Å; L391-V432 HydrophobicContact CD1-CG1 4.41Å; L391-V432 HydrophobicContact CD1-CG2 4.23Å; L391-L439 HydrophobicContact CD2-CD1 4.43Å; L391-V441 HydrophobicContact CD2-CG2 3.9Å; L391-W473 HydrophobicContact CD2-CH2 3.68Å; L391-W473 HydrophobicContact CD2-CZ2 3.98Å
392	G	95.2	Very high	89.2	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.254	C	S	.	.			trans	54.3	-141.5	172.7	0	0	0	0	0	113.5	R376 C406	R376-G392 VanDerWaalsContact CD-O 3.24Å; R376-G392 WeakPolarHBondContact CD-O 3.47Å; G392-C406 PolarHBondContact N-O 3.08Å
393	G	93.1	Very high	88.9	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.255	C	S	.	.			trans	97.8	-163.8	-177	0	0	0	0	0	112.9	D377 I403 T404 L427	D377-G393 CarbonylContact O-C 3.54Å; D377-G393 VanDerWaalsContact O-CA 3.22Å; D377-G393 WeakPolarHBondContact O-CA 3.36Å; G393-I403 WeakPolarHBondContact O-CA 3.33Å; G393-T404 PolarHBondContact O-N 2.96Å; G393-L427 PolarHBondContact N-O 2.88Å
394	Q	90.6	Very high	88.8	Confident	26 Å²	26	51.4 Å²	51.4	12%	0.121	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	131.1	179.3	-65.5	-174.4	-14.2	0	0	110	R376 D377 L402 I403 A428	R376-Q394 WeakPolarHBondContact CA-O 2.95Å; D377-Q394 PolarHBondContact N-O 2.95Å; D377-Q394 PolarHBondContact O-N 2.87Å; Q394-L402 WeakPolarHBondContact CA-O 3.37Å; Q394-I403 HydrophobicContact CG-CG1 3.94Å; Q394-A428 HydrophobicContact CG-CB 3.81Å
395	M	87.2	Confident	88.8	Confident	29 Å²	29	53.6 Å²	53.6	14%	0.143	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	142.1	177	-65.9	179	75.6	0	0	109.8	E374 R376 F401 L402 T404	E374-M395 HydrophobicContact CG-CE 4.28Å; E374-M395 WeakPolarHBondContact OE1-CE 3.5Å; E374-M395 VanDerWaalsContact OE2-CE 3.3Å; E374-M395 WeakPolarHBondContact OE2-CE 3.3Å; R376-M395 HydrophobicContact CG-CG 3.95Å; M395-F401 WeakPolarHBondContact O-CA 3.44Å; M395-L402 PolarHBondContact N-O 2.93Å; M395-L402 PolarHBondContact O-N 2.88Å; M395-T404 HydrophobicContact CG-CG2 3.98Å; M395-T404 HydrophobicContact SD-CG2 3.87Å
396	K	81.1	Confident	89	Confident	120 Å²	120	54.4 Å²	54.4	52%	0.522	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	106.6	176	-169.7	177.2	-178	179.2	0	110	Q400 F401	K396-Q400 CarbonylContact C-O 3.49Å; K396-Q400 WeakPolarHBondContact CA-O 3.42Å; K396-F401 HydrophobicContact CB-CD1 4.36Å; K396-F401 HydrophobicContact CB-CE1 4.17Å; K396-F401 HydrophobicContact CD-CE1 4.48Å; K396-F401 HydrophobicContact CD-CZ 4.23Å; K396-F401 HydrophobicContact CG-CE1 4.42Å; K396-F401 HydrophobicContact CG-CZ 4.48Å
397	L	77.7	Confident	89.3	Confident	107 Å²	107	53.1 Å²	53.1	56%	0.56	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.6	119	177.8	-146.5	106	0	0	0	109.8	N399 Q400	L397-N399 VanDerWaalsContact C-N 3.3Å; L397-N399 PolarHBondContact O-N 3.01Å; L397-Q400 PolarHBondContact N-O 2.87Å; L397-Q400 PolarHBondContact O-N 2.57Å
398	K	75.4	Confident	89.3	Confident	199 Å²	199	53.1 Å²	53.1	87%	0.865	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.4	47	176.1	-61.1	179.7	178.3	178	0	113.8	Q400	K398-Q400 VanDerWaalsContact C-N 3.32Å; K398-Q400 PolarHBondContact O-N 2.83Å
399	N	72.6	Confident	89.3	Confident	141 Å²	141	57.5 Å²	57.5	75%	0.754	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	69	13	-176	-68.4	-14.7	0	0	0	116.9	L397	L397-N399 VanDerWaalsContact C-N 3.3Å; L397-N399 PolarHBondContact O-N 3.01Å
400	Q	76.1	Confident	89.3	Confident	109 Å²	109	57.9 Å²	57.9	51%	0.509	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	143.7	173.3	-64.3	178.4	-10.4	0	0	110.5	K396 L397 K398 M452	K396-Q400 CarbonylContact C-O 3.49Å; K396-Q400 WeakPolarHBondContact CA-O 3.42Å; L397-Q400 PolarHBondContact N-O 2.87Å; L397-Q400 PolarHBondContact O-N 2.57Å; K398-Q400 VanDerWaalsContact C-N 3.32Å; K398-Q400 PolarHBondContact O-N 2.83Å; Q400-M452 VanDerWaalsContact CD-CE 3.47Å; Q400-M452 HydrophobicContact CG-CE 4.39Å; Q400-M452 VanDerWaalsContact OE1-CE 3.28Å
401	F	80.2	Confident	89.2	Confident	117 Å²	117	59.8 Å²	59.8	51%	0.513	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	118.5	172.3	-70.7	-87.1	0	0	0	109.1	M395 K396	M395-F401 WeakPolarHBondContact O-CA 3.44Å; K396-F401 HydrophobicContact CB-CD1 4.36Å; K396-F401 HydrophobicContact CB-CE1 4.17Å; K396-F401 HydrophobicContact CD-CE1 4.48Å; K396-F401 HydrophobicContact CD-CZ 4.23Å; K396-F401 HydrophobicContact CG-CE1 4.42Å; K396-F401 HydrophobicContact CG-CZ 4.48Å
402	L	87.3	Confident	89	Confident	91 Å²	91	61 Å²	61	48%	0.476	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	127.8	178.7	-171.9	72.8	0	0	0	109.6	Q394 M395 T404	Q394-L402 WeakPolarHBondContact CA-O 3.37Å; M395-L402 PolarHBondContact N-O 2.93Å; M395-L402 PolarHBondContact O-N 2.88Å; L402-T404 PolarHBondContact O-N 3.27Å
403	I	90.8	Very high	88.8	Confident	13 Å²	13	68.7 Å²	68.7	7%	0.067	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	127.4	169.8	-59.3	172.9	0	0	0	108.1	G393 Q394 P426 L427 A428 R445	G393-I403 WeakPolarHBondContact O-CA 3.33Å; Q394-I403 HydrophobicContact CG-CG1 3.94Å; I403-P426 HydrophobicContact CB-CB 4.31Å; I403-P426 HydrophobicContact CG2-CB 3.75Å; I403-P426 WeakPolarHBondContact O-CB 3.3Å; I403-L427 VanDerWaalsContact CG2-C 3.46Å; I403-A428 HydrophobicContact CD1-CB 4.38Å; I403-A428 HydrophobicContact CG1-CB 4.13Å; I403-A428 HydrophobicContact CG2-CB 4.06Å; I403-R445 HydrophobicContact CD1-CB 4.43Å
404	T	93	Very high	88.7	Confident	15 Å²	15	70.3 Å²	70.3	9%	0.092	35%	0.35	C	S	.	.			trans	-107.3	157.2	-177.1	-172.1	0	0	0	0	112.2	G393 M395 L402 C406 P426 L427	G393-T404 PolarHBondContact O-N 2.96Å; M395-T404 HydrophobicContact CG-CG2 3.98Å; M395-T404 HydrophobicContact SD-CG2 3.87Å; L402-T404 PolarHBondContact O-N 3.27Å; T404-C406 HydrophobicContact CG2-CB 4.22Å; T404-C406 WeakPolarHBondContact OG1-CB 3.46Å; T404-C406 PolarHBondContact OG1-N 3.14Å; T404-C406 VanDerWaalsContact OG1-N 3.1Å; T404-C406 PolarHBondContact OG1-SG 3.34Å; T404-P426 WeakPolarHBondContact O-CA 3.36Å; T404-L427 PolarHBondContact O-N 2.98Å
405	N	95.1	Very high	88.7	Confident	59 Å²	59	71.7 Å²	71.7	32%	0.316	37%	0.371	S	S	.	.			trans	-105.1	8.4	168.3	70.9	-26.6	0	0	0	112.5	P422 L423 P426	N405-P422 CarbonylContact O-C 3.52Å; N405-P422 WeakPolarHBondContact O-CA 3.23Å; N405-P422 WeakPolarHBondContact O-CB 3.46Å; N405-L423 HydrophobicContact CB-CB 3.97Å; N405-L423 WeakPolarHBondContact CB-O 3.43Å; N405-L423 PolarHBondContact ND2-O 3.39Å; N405-L423 VanDerWaalsContact ND2-O 3.09Å; N405-L423 PolarHBondContact O-N 2.84Å; N405-P426 HydrophobicContact CB-CB 4.39Å; N405-P426 HydrophobicContact CB-CG 4.34Å
406	C	95.9	Very high	89.1	Confident	48 Å²	48	74.4 Å²	74.4	32%	0.324	39%	0.391	S	S	.	.			trans	-60.1	139	179.6	-70.5	0	0	0	0	111.9	G392 T404	G392-C406 PolarHBondContact N-O 3.08Å; T404-C406 HydrophobicContact CG2-CB 4.22Å; T404-C406 WeakPolarHBondContact OG1-CB 3.46Å; T404-C406 PolarHBondContact OG1-N 3.14Å; T404-C406 VanDerWaalsContact OG1-N 3.1Å; T404-C406 PolarHBondContact OG1-SG 3.34Å
407	V	97.6	Very high	89.9	Confident	2 Å²	2	70.7 Å²	70.7	1%	0.012	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	124.4	171	-175.5	0	0	0	0	107.5	Y389 L390 L391 A420 A421 L423 W473	Y389-V407 HydrophobicContact CD1-CG1 4.17Å; L390-V407 WeakPolarHBondContact O-CA 3.42Å; L391-V407 HydrophobicContact CD2-CG1 4.23Å; L391-V407 HydrophobicContact CD2-CG2 4.48Å; L391-V407 HydrophobicContact CG-CG1 4.17Å; V407-A420 HydrophobicContact CB-CB 4.24Å; V407-A420 HydrophobicContact CG1-CB 3.89Å; V407-A420 PolarHBondContact O-N 3.28Å; V407-A421 WeakPolarHBondContact CG2-O 3.43Å; V407-L423 HydrophobicContact CG2-CD2 4.42Å; V407-L423 HydrophobicContact CG2-CG 3.81Å; V407-W473 HydrophobicContact CG2-CZ2 4.05Å
408	E	97.3	Very high	90.8	Very high	35 Å²	35	72.9 Å²	72.9	16%	0.164	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	147.6	175.7	-63.8	-177.5	110.4	0	0	110.1	R376 Y389 L390 W417 R418	R376-E408 IonicContact CZ-OE2 3.29Å; R376-E408 VanDerWaalsContact CZ-OE2 3.29Å; R376-E408 IonicContact NH1-OE2 3.47Å; R376-E408 PolarHBondContact NH1-OE2 2.9Å; R376-E408 VanDerWaalsContact NH2-CD 3.26Å; R376-E408 IonicContact NH2-OE2 2.67Å; R376-E408 PolarHBondContact NH2-OE2 3.49Å; Y389-E408 CarbonylContact C-O 3.56Å; Y389-E408 VanDerWaalsContact CA-O 3.31Å; Y389-E408 WeakPolarHBondContact CA-O 3.39Å; L390-E408 PolarHBondContact N-O 3.33Å; L390-E408 PolarHBondContact O-N 3.35Å; E408-W417 HydrophobicContact CB-CE3 3.74Å; E408-W417 HydrophobicContact CB-CZ3 4.35Å; E408-R418 CarbonylContact C-O 3.59Å; E408-R418 WeakPolarHBondContact CA-O 3.19Å
409	R	96.8	Very high	91.8	Very high	91 Å²	91	68.1 Å²	68.1	34%	0.343	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	145.6	178.5	65.7	175.6	179.4	166.3	2.4	111.8	T387 L388 Y389 R418 A420	T387-R409 HydrophobicContact CG2-CB 3.75Å; T387-R409 HydrophobicContact CG2-CG 4.47Å; L388-R409 CarbonylContact O-C 3.52Å; L388-R409 WeakPolarHBondContact O-CA 3.4Å; Y389-R409 HydrophobicContact CD1-CB 3.83Å; Y389-R409 HydrophobicContact CE1-CB 3.71Å; Y389-R409 HydrophobicContact CE1-CG 4.47Å; Y389-R409 HydrophobicContact CG-CB 4.39Å; R409-R418 HydrophobicContact CG-CB 4.33Å; R409-R418 WeakPolarHBondContact CG-O 3.34Å; R409-R418 PolarHBondContact N-O 3.38Å; R409-R418 PolarHBondContact O-N 3.44Å; R409-A420 HydrophobicContact CG-CB 4.45Å
410	W	97.6	Very high	93	Very high	14 Å²	14	61.6 Å²	61.6	5%	0.053	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	138.5	-180	-178.5	82.5	0	0	0	110.8	L370 T371 T387 L388 L412 G415 W417	L370-W410 HydrophobicContact CD1-CH2 3.77Å; L370-W410 HydrophobicContact CD1-CZ3 4.12Å; L370-W410 HydrophobicContact CD2-CH2 4.16Å; L370-W410 HydrophobicContact CD2-CZ3 3.69Å; L370-W410 HydrophobicContact CG-CH2 3.56Å; L370-W410 HydrophobicContact CG-CZ3 3.63Å; T371-W410 HydrophobicContact CG2-CD2 3.91Å; T371-W410 HydrophobicContact CG2-CE3 4.01Å; T371-W410 HydrophobicContact CG2-CG 4.43Å; T371-W410 HydrophobicContact CG2-CH2 4.37Å; T371-W410 HydrophobicContact CG2-CZ2 4.26Å; T371-W410 HydrophobicContact CG2-CZ3 4.22Å; T387-W410 CarbonylContact C-O 3.55Å; T387-W410 WeakPolarHBondContact CA-O 3.48Å; L388-W410 HydrophobicContact CD1-CE3 3.98Å; L388-W410 HydrophobicContact CD1-CZ3 4.26Å; L388-W410 HydrophobicContact CG-CE3 4.44Å; L388-W410 PolarHBondContact N-O 3.11Å; L388-W410 PolarHBondContact O-N 3.34Å; W410-L412 HydrophobicContact CE3-CD2 4.41Å; W410-L412 HydrophobicContact CZ3-CD2 3.84Å; W410-G415 VanDerWaalsContact CD1-O 3.27Å; W410-G415 PolarHBondContact NE1-O 2.51Å; W410-W417 HydrophobicContact CB-CD2 3.59Å; W410-W417 HydrophobicContact CB-CE3 3.55Å; W410-W417 HydrophobicContact CB-CG 4.27Å; W410-W417 HydrophobicContact CB-CH2 3.83Å; W410-W417 HydrophobicContact CB-CZ2 3.84Å; W410-W417 HydrophobicContact CB-CZ3 3.68Å; W410-W417 HydrophobicContact CG-CD2 4.19Å; W410-W417 AromaticContact CG-CE2 3.99Å; W410-W417 HydrophobicContact CG-CZ2 4.24Å
411	S	95.6	Very high	94	Very high	40 Å²	40	57.2 Å²	57.2	28%	0.28	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	133.9	179.2	179	0	0	0	0	110.2	D386 Q413 G414	D386-S411 CarbonylContact O-C 3.56Å; D386-S411 WeakPolarHBondContact O-CA 3.18Å; S411-Q413 PolarHBondContact O-N 3.28Å; S411-Q413 PolarHBondContact OG-N 3.06Å; S411-G414 PolarHBondContact O-N 2.73Å
412	L	92.3	Very high	94.8	Very high	24 Å²	24	55.1 Å²	55.1	13%	0.126	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-16.6	172.3	-65.6	179.8	0	0	0	112.8	T330 I336 L370 D386 L388 W410	T330-L412 HydrophobicContact CG2-CD1 4.07Å; I336-L412 HydrophobicContact CD1-CD2 3.72Å; L370-L412 HydrophobicContact CD2-CD2 4.08Å; D386-L412 HydrophobicContact CB-CB 4.43Å; D386-L412 WeakPolarHBondContact O-CG 3.38Å; D386-L412 PolarHBondContact O-N 3.15Å; L388-L412 HydrophobicContact CD1-CD2 3.98Å; L388-L412 HydrophobicContact CD2-CD2 4.38Å; L388-L412 HydrophobicContact CG-CD2 3.88Å; W410-L412 HydrophobicContact CE3-CD2 4.41Å; W410-L412 HydrophobicContact CZ3-CD2 3.84Å
413	Q	90.9	Very high	95.3	Very high	163 Å²	163	50.9 Å²	50.9	76%	0.762	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-4.5	173.7	-58	179.6	2.6	0	0	113	S411	S411-Q413 PolarHBondContact O-N 3.28Å; S411-Q413 PolarHBondContact OG-N 3.06Å
414	G	90.9	Very high	95.6	Very high	34 Å²	34	53.6 Å²	53.6	35%	0.351	31%	0.309	S	S	.	.			trans	103.4	-171.8	-179.8	0	0	0	0	0	114.4	S411	S411-G414 PolarHBondContact O-N 2.73Å
415	G	91.4	Very high	95.6	Very high	55 Å²	55	53.9 Å²	53.9	57%	0.567	31%	0.31	S	S	*	.			trans	97.8	-176.1	-177.2	0	0	0	0	0	113.8	W410	W410-G415 VanDerWaalsContact CD1-O 3.27Å; W410-G415 PolarHBondContact NE1-O 2.51Å
416	P	95.4	Very high	95.5	Very high	85 Å²	85	52.9 Å²	52.9	55%	0.552	31%	0.307	S	S	*	.			trans	-80.1	156.2	-179.3	32.7	-35.1	0	0	0	111.9
417	W	97.2	Very high	95.5	Very high	42 Å²	42	50.7 Å²	50.7	16%	0.159	29%	0.292	C	S	.	.			trans	-61.1	141.3	165.1	-71	87.7	0	0	0	110.6	I356 T371 S372 A373 L390 E408 W410	I356-W417 HydrophobicContact CD1-CH2 3.71Å; I356-W417 HydrophobicContact CD1-CZ2 3.51Å; T371-W417 HydrophobicContact CG2-CZ2 3.66Å; T371-W417 PolarHBondContact OG1-NE1 2.92Å; S372-W417 PolarHBondContact O-NE1 2.91Å; A373-W417 HydrophobicContact CB-CD2 4.17Å; A373-W417 HydrophobicContact CB-CH2 4.42Å; A373-W417 HydrophobicContact CB-CZ2 3.81Å; L390-W417 HydrophobicContact CB-CH2 4.22Å; L390-W417 HydrophobicContact CB-CZ3 3.82Å; E408-W417 HydrophobicContact CB-CE3 3.74Å; E408-W417 HydrophobicContact CB-CZ3 4.35Å; W410-W417 HydrophobicContact CB-CD2 3.59Å; W410-W417 HydrophobicContact CB-CE3 3.55Å; W410-W417 HydrophobicContact CB-CG 4.27Å; W410-W417 HydrophobicContact CB-CH2 3.83Å; W410-W417 HydrophobicContact CB-CZ2 3.84Å; W410-W417 HydrophobicContact CB-CZ3 3.68Å; W410-W417 HydrophobicContact CG-CD2 4.19Å; W410-W417 AromaticContact CG-CE2 3.99Å; W410-W417 HydrophobicContact CG-CZ2 4.24Å
418	R	96.7	Very high	95.3	Very high	153 Å²	153	50.6 Å²	50.6	58%	0.577	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.3	141.5	179.5	-61.7	-178.4	-176	-86.3	1.7	109.8	E408 R409	E408-R418 CarbonylContact C-O 3.59Å; E408-R418 WeakPolarHBondContact CA-O 3.19Å; R409-R418 HydrophobicContact CG-CB 4.33Å; R409-R418 WeakPolarHBondContact CG-O 3.34Å; R409-R418 PolarHBondContact N-O 3.38Å; R409-R418 PolarHBondContact O-N 3.44Å
419	S	97	Very high	95	Very high	99 Å²	99	50.8 Å²	50.8	69%	0.692	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.3	137.5	172.4	-178.7	0	0	0	0	110.9
420	A	97.3	Very high	94.9	Very high	4 Å²	4	46.5 Å²	46.5	3%	0.033	27%	0.274	C	S	.	.			trans	-108.3	176.8	165.4	0	0	0	0	0	109.5	Y389 V407 R409	Y389-A420 HydrophobicContact CE1-CB 4.46Å; V407-A420 HydrophobicContact CB-CB 4.24Å; V407-A420 HydrophobicContact CG1-CB 3.89Å; V407-A420 PolarHBondContact O-N 3.28Å; R409-A420 HydrophobicContact CG-CB 4.45Å
421	A	97.6	Very high	94.7	Very high	18 Å²	18	46.3 Å²	46.3	15%	0.149	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-55.6	127.9	176.1	0	0	0	0	0	110.3	V407 Y466 N471 W473	V407-A421 WeakPolarHBondContact CG2-O 3.43Å; A421-Y466 HydrophobicContact CB-CE2 4.23Å; A421-N471 VanDerWaalsContact CB-O 3.23Å; A421-N471 WeakPolarHBondContact CB-O 3.43Å; A421-N471 WeakPolarHBondContact CB-OD1 3.16Å; A421-N471 PolarHBondContact N-OD1 3.46Å; A421-W473 PolarHBondContact O-NE1 3.28Å
422	P	97.8	Very high	94.7	Very high	72 Å²	72	45.8 Å²	45.8	47%	0.468	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-67.5	154	-177.7	29.5	-35.6	0	0	0	110.7	N405 W473	N405-P422 CarbonylContact O-C 3.52Å; N405-P422 WeakPolarHBondContact O-CA 3.23Å; N405-P422 WeakPolarHBondContact O-CB 3.46Å; P422-W473 PolarHBondContact O-NE1 3.23Å
423	L	97.4	Very high	94.9	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.01	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-56.7	140.7	173.7	-68.1	163.4	0	0	0	109.7	N405 V407 L425 L427 V441 L464 W473	N405-L423 HydrophobicContact CB-CB 3.97Å; N405-L423 WeakPolarHBondContact CB-O 3.43Å; N405-L423 PolarHBondContact ND2-O 3.39Å; N405-L423 VanDerWaalsContact ND2-O 3.09Å; N405-L423 PolarHBondContact O-N 2.84Å; V407-L423 HydrophobicContact CG2-CD2 4.42Å; V407-L423 HydrophobicContact CG2-CG 3.81Å; L423-L425 VanDerWaalsContact CB-O 3.22Å; L423-L425 WeakPolarHBondContact CB-O 3.22Å; L423-L425 PolarHBondContact O-N 3.01Å; L423-L427 HydrophobicContact CD1-CB 4.32Å; L423-V441 HydrophobicContact CD2-CB 4.44Å; L423-V441 HydrophobicContact CD2-CG1 4.26Å; L423-V441 HydrophobicContact CD2-CG2 3.98Å; L423-L464 HydrophobicContact CD2-CD1 4.39Å; L423-W473 HydrophobicContact CD2-CD2 4.39Å; L423-W473 HydrophobicContact CD2-CE3 4.35Å; L423-W473 HydrophobicContact CD2-CH2 3.49Å; L423-W473 VanDerWaalsContact CD2-CH2 3.49Å; L423-W473 HydrophobicContact CD2-CZ2 3.52Å; L423-W473 HydrophobicContact CD2-CZ3 3.91Å; L423-W473 HydrophobicContact CG-CZ2 4.36Å
424	P	96.1	Very high	95.1	Very high	70 Å²	70	42.2 Å²	42.2	46%	0.455	25%	0.249	S	C	.	.	S	Bend	trans	-54.2	-22.8	173.8	-30.7	34.8	0	0	0	114.8	L464 W473	P424-L464 HydrophobicContact CG-CD1 4.41Å; P424-L464 HydrophobicContact CG-CD2 4.26Å; P424-W473 HydrophobicContact CG-CB 3.58Å; P424-W473 HydrophobicContact CG-CG 4.04Å
425	L	93.5	Very high	95.4	Very high	21 Å²	21	41 Å²	41	11%	0.11	23%	0.234	C	C	.	.	S	Bend	trans	-144.5	153.8	173.3	65.6	163.8	0	0	0	111.1	L423 L427 L464	L423-L425 VanDerWaalsContact CB-O 3.22Å; L423-L425 WeakPolarHBondContact CB-O 3.22Å; L423-L425 PolarHBondContact O-N 3.01Å; L425-L427 HydrophobicContact CD1-CD2 3.94Å; L425-L427 HydrophobicContact CD1-CG 4.43Å; L425-L427 HydrophobicContact CD2-CD1 4.34Å; L425-L427 HydrophobicContact CG-CD1 4.31Å; L425-L427 HydrophobicContact CG-CD2 4.07Å; L425-L427 HydrophobicContact CG-CG 4Å; L425-L464 HydrophobicContact CD2-CD1 3.64Å; L425-L464 HydrophobicContact CD2-CD2 4.38Å
426	P	93.9	Very high	95.3	Very high	39 Å²	39	44 Å²	44	25%	0.253	23%	0.232	S	C	.	.			trans	-67.4	130	173.8	-16.3	30.6	0	0	0	111.5	I403 T404 N405 P447	I403-P426 HydrophobicContact CB-CB 4.31Å; I403-P426 HydrophobicContact CG2-CB 3.75Å; I403-P426 WeakPolarHBondContact O-CB 3.3Å; T404-P426 WeakPolarHBondContact O-CA 3.36Å; N405-P426 HydrophobicContact CB-CB 4.39Å; N405-P426 HydrophobicContact CB-CG 4.34Å; P426-P447 HydrophobicContact CB-CG 4.19Å; P426-P447 HydrophobicContact CG-CG 4.27Å
427	L	94.7	Very high	95.2	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.01	23%	0.232	C	C	.	.			trans	-136.8	133.2	-176.6	-68.7	173.3	0	0	0	112.6	G393 I403 T404 L423 L425 H430 V441 R445 L464	G393-L427 PolarHBondContact N-O 2.88Å; I403-L427 VanDerWaalsContact CG2-C 3.46Å; T404-L427 PolarHBondContact O-N 2.98Å; L423-L427 HydrophobicContact CD1-CB 4.32Å; L425-L427 HydrophobicContact CD1-CD2 3.94Å; L425-L427 HydrophobicContact CD1-CG 4.43Å; L425-L427 HydrophobicContact CD2-CD1 4.34Å; L425-L427 HydrophobicContact CG-CD1 4.31Å; L425-L427 HydrophobicContact CG-CD2 4.07Å; L425-L427 HydrophobicContact CG-CG 4Å; L427-H430 HydrophobicContact CB-CB 4.27Å; L427-H430 WeakPolarHBondContact CB-ND1 3.44Å; L427-H430 HydrophobicContact CD1-CB 4.46Å; L427-H430 PolarHBondContact O-CE1 2.92Å; L427-H430 PolarHBondContact O-ND1 3.3Å; L427-V441 HydrophobicContact CD1-CG1 3.71Å; L427-R445 WeakPolarHBondContact CA-O 3.18Å; L427-L464 HydrophobicContact CD1-CD1 4.15Å
428	A	93.1	Very high	95.2	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-123.7	155.3	166.8	0	0	0	0	0	110.3	Q394 I403 H430 G444 R445	Q394-A428 HydrophobicContact CG-CB 3.81Å; I403-A428 HydrophobicContact CD1-CB 4.38Å; I403-A428 HydrophobicContact CG1-CB 4.13Å; I403-A428 HydrophobicContact CG2-CB 4.06Å; A428-H430 PolarHBondContact O-N 2.61Å; A428-H430 VanDerWaalsContact O-N 3.11Å; A428-G444 CarbonylContact O-C 3.55Å; A428-G444 VanDerWaalsContact O-CA 3.3Å; A428-G444 WeakPolarHBondContact O-CA 2.89Å; A428-R445 PolarHBondContact N-O 2.91Å; A428-R445 PolarHBondContact O-N 2.82Å
429	Y	91.6	Very high	95.2	Very high	39 Å²	39	36.2 Å²	36.2	15%	0.153	20%	0.201	C	C	.	.	S	Bend	trans	56.4	22.7	-177.7	-53.7	-82	0	0	0	115.6	S378 R445 Y484 N544	S378-Y429 PolarHBondContact O-N 2.92Å; S378-Y429 WeakPolarHBondContact OG-CE1 3.2Å; S378-Y429 PolarHBondContact OG-OH 3.49Å; S378-Y429 VanDerWaalsContact OG-OH 3.1Å; Y429-R445 HydrophobicContact CD2-CG 4.17Å; Y429-Y484 HydrophobicContact CG-CD2 4.26Å; Y429-N544 VanDerWaalsContact CA-CB 3.42Å; Y429-N544 HydrophobicContact CD1-CB 3.99Å; Y429-N544 HydrophobicContact CG-CB 4.4Å
430	H	94.4	Very high	95.3	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	17%	0.169	C	C	.	.			trans	-79.8	162.9	175.6	59.3	-82.9	0	0	0	110.3	A380 L391 L427 A428 V441 N544	A380-H430 VanDerWaalsContact CB-NE2 3.33Å; A380-H430 WeakPolarHBondContact CB-NE2 3.36Å; L391-H430 PolarHBondContact O-CE1 3.24Å; L391-H430 PolarHBondContact O-NE2 2.93Å; L427-H430 HydrophobicContact CB-CB 4.27Å; L427-H430 WeakPolarHBondContact CB-ND1 3.44Å; L427-H430 HydrophobicContact CD1-CB 4.46Å; L427-H430 PolarHBondContact O-CE1 2.92Å; L427-H430 PolarHBondContact O-ND1 3.3Å; A428-H430 PolarHBondContact O-N 2.61Å; A428-H430 VanDerWaalsContact O-N 3.11Å; H430-V441 HydrophobicContact CB-CG1 4.28Å; H430-N544 PolarHBondContact O-ND2 3.5Å; H430-N544 VanDerWaalsContact O-ND2 3.16Å
431	S	94.1	Very high	95.3	Very high	9 Å²	9	31.6 Å²	31.6	6%	0.063	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	150	175	-54.9	0	0	0	0	109.9	V441 L442 C486	S431-V441 WeakPolarHBondContact O-CA 3.2Å; S431-L442 PolarHBondContact N-O 2.77Å; S431-L442 PolarHBondContact O-N 3.14Å; S431-C486 PolarHBondContact OG-O 3.49Å
432	V	95.7	Very high	95.2	Very high	29 Å²	29	30.8 Å²	30.8	18%	0.176	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	135	177.7	175.7	0	0	0	0	109.7	A380 L391 L439 Y440 V441	A380-V432 HydrophobicContact CB-CB 4.17Å; A380-V432 HydrophobicContact CB-CG2 3.46Å; A380-V432 VanDerWaalsContact CB-CG2 3.46Å; L391-V432 HydrophobicContact CD1-CG1 4.41Å; L391-V432 HydrophobicContact CD1-CG2 4.23Å; V432-L439 HydrophobicContact CG1-CB 4.4Å; V432-L439 HydrophobicContact CG1-CD2 4.12Å; V432-Y440 VanDerWaalsContact CA-O 3.3Å; V432-Y440 WeakPolarHBondContact CA-O 3.5Å; V432-V441 HydrophobicContact CG2-CG2 3.78Å
433	V	96	Very high	95	Very high	11 Å²	11	27.4 Å²	27.4	7%	0.067	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	150.8	174	-60.6	0	0	0	0	110.9	Y440 A488 V490 I495	V433-Y440 PolarHBondContact N-O 2.95Å; V433-Y440 PolarHBondContact O-N 3.46Å; V433-A488 VanDerWaalsContact CG1-C 3.47Å; V433-A488 HydrophobicContact CG1-CB 3.54Å; V433-A488 WeakPolarHBondContact CG1-O 3.39Å; V433-V490 HydrophobicContact CB-CG2 4.01Å; V433-V490 HydrophobicContact CG2-CG2 4.07Å; V433-I495 HydrophobicContact CG2-CD1 3.92Å; V433-I495 HydrophobicContact CG2-CG1 4.19Å; V433-I495 HydrophobicContact CG2-CG2 3.94Å
434	R	95.9	Very high	94.8	Very high	102 Å²	102	27.3 Å²	27.3	39%	0.385	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	129.7	175.8	177.5	-174.1	67.2	84.8	9.1	109.8	E331 S383 L384 L439 V490	E331-R434 WeakPolarHBondContact OE1-CD 3.4Å; E331-R434 IonicContact OE1-CZ 2.89Å; E331-R434 IonicContact OE1-NE 2.95Å; E331-R434 IonicContact OE1-NH1 2.72Å; E331-R434 PolarHBondContact OE1-NH1 3.47Å; S383-R434 VanDerWaalsContact O-CD 3.3Å; S383-R434 WeakPolarHBondContact O-CD 3.16Å; L384-R434 HydrophobicContact CD2-CG 3.64Å; R434-L439 HydrophobicContact CB-CD2 4.34Å; R434-V490 WeakPolarHBondContact O-CG2 3.49Å
435	M	95.5	Very high	94.6	Very high	8 Å²	8	26.6 Å²	26.6	4%	0.039	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	136.8	173.7	-178.4	174.2	68.5	0	0	110.5	D437 C438 Y440 V490 I495 P523	M435-D437 VanDerWaalsContact C-N 3.3Å; M435-D437 PolarHBondContact O-N 3.06Å; M435-C438 PolarHBondContact N-O 3.05Å; M435-C438 PolarHBondContact O-N 3.39Å; M435-Y440 HydrophobicContact CB-CD2 4.09Å; M435-Y440 HydrophobicContact CB-CE2 3.78Å; M435-Y440 HydrophobicContact CE-CD2 4.25Å; M435-Y440 HydrophobicContact CE-CE1 4.14Å; M435-Y440 HydrophobicContact CE-CE2 3.58Å; M435-Y440 HydrophobicContact CG-CE2 4.5Å; M435-V490 HydrophobicContact CB-CG1 4.27Å; M435-V490 HydrophobicContact CB-CG2 4.07Å; M435-V490 HydrophobicContact CG-CG1 4.04Å; M435-V490 HydrophobicContact SD-CG1 3.92Å; M435-I495 HydrophobicContact CE-CD1 3.83Å; M435-I495 HydrophobicContact CE-CG1 3.82Å; M435-I495 HydrophobicContact SD-CG1 4.02Å; M435-P523 HydrophobicContact CE-CB 3.61Å; M435-P523 HydrophobicContact CE-CG 3.53Å; M435-P523 HydrophobicContact SD-CG 4.11Å
436	K	91.3	Very high	94.4	Very high	119 Å²	119	26.8 Å²	26.8	52%	0.517	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.7	47.9	176.7	-62.5	178	-177.6	179.8	0	113.2	C438 D524	K436-C438 PolarHBondContact O-N 3.39Å; K436-C438 VanDerWaalsContact O-N 3.12Å; K436-D524 IonicContact NZ-OD1 2.81Å; K436-D524 PolarHBondContact NZ-OD1 3.3Å; K436-D524 IonicContact NZ-OD2 3.17Å
437	D	92.6	Very high	93.9	Very high	102 Å²	102	27.5 Å²	27.5	55%	0.545	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	60	14.6	-178	-55.6	-36.2	0	0	0	116.5	L384 M435 P468	L384-D437 VanDerWaalsContact CD2-C 3.47Å; L384-D437 WeakPolarHBondContact CD2-O 3.41Å; M435-D437 VanDerWaalsContact C-N 3.3Å; M435-D437 PolarHBondContact O-N 3.06Å; D437-P468 WeakPolarHBondContact O-CD 3.27Å; D437-P468 WeakPolarHBondContact O-CG 3.43Å
438	C	96.6	Very high	92.6	Very high	13 Å²	13	29.2 Å²	29.2	9%	0.088	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	158.5	173.4	-69.8	0	0	0	0	111.2	M435 K436 Y440 E465 Y466	M435-C438 PolarHBondContact N-O 3.05Å; M435-C438 PolarHBondContact O-N 3.39Å; K436-C438 PolarHBondContact O-N 3.39Å; K436-C438 VanDerWaalsContact O-N 3.12Å; C438-Y440 HydrophobicContact CB-CE2 3.9Å; C438-E465 HydrophobicContact CB-CG 3.95Å; C438-Y466 WeakPolarHBondContact CA-O 3.44Å; C438-Y466 WeakPolarHBondContact CB-O 3.49Å
439	L	97.8	Very high	90.8	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	136.9	167	-64.8	176.6	0	0	0	109.7	L384 Y389 L391 V432 R434 E465 Y466	L384-L439 HydrophobicContact CD1-CD1 4.22Å; L384-L439 HydrophobicContact CD1-CD2 4.14Å; L384-L439 HydrophobicContact CD1-CG 3.61Å; L384-L439 HydrophobicContact CD2-CD2 4.35Å; L384-L439 HydrophobicContact CG-CD2 3.81Å; L384-L439 HydrophobicContact CG-CG 3.88Å; Y389-L439 HydrophobicContact CD1-CD1 4.25Å; Y389-L439 HydrophobicContact CD2-CD1 3.83Å; Y389-L439 HydrophobicContact CE2-CD1 4.49Å; Y389-L439 HydrophobicContact CG-CD1 3.7Å; L391-L439 HydrophobicContact CD2-CD1 4.43Å; V432-L439 HydrophobicContact CG1-CB 4.4Å; V432-L439 HydrophobicContact CG1-CD2 4.12Å; R434-L439 HydrophobicContact CB-CD2 4.34Å; L439-E465 CarbonylContact O-C 3.49Å; L439-E465 WeakPolarHBondContact O-CA 3.32Å; L439-Y466 HydrophobicContact CD1-CD1 4.44Å; L439-Y466 PolarHBondContact N-O 2.62Å; L439-Y466 VanDerWaalsContact N-O 3.14Å; L439-Y466 PolarHBondContact O-N 2.8Å
440	Y	98	Very high	88.9	Confident	6 Å²	6	42 Å²	42	2%	0.024	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	122.8	172.8	-65.5	-101.5	0	0	0	109.1	V432 V433 M435 C438 L463 L464 E465 L476 I495 Y521	V432-Y440 VanDerWaalsContact CA-O 3.3Å; V432-Y440 WeakPolarHBondContact CA-O 3.5Å; V433-Y440 PolarHBondContact N-O 2.95Å; V433-Y440 PolarHBondContact O-N 3.46Å; M435-Y440 HydrophobicContact CB-CD2 4.09Å; M435-Y440 HydrophobicContact CB-CE2 3.78Å; M435-Y440 HydrophobicContact CE-CD2 4.25Å; M435-Y440 HydrophobicContact CE-CE1 4.14Å; M435-Y440 HydrophobicContact CE-CE2 3.58Å; M435-Y440 HydrophobicContact CG-CE2 4.5Å; C438-Y440 HydrophobicContact CB-CE2 3.9Å; Y440-L463 HydrophobicContact CD1-CD1 4.18Å; Y440-L463 HydrophobicContact CD1-CG 4.45Å; Y440-L464 CarbonylContact C-O 3.56Å; Y440-L464 VanDerWaalsContact CA-O 3.29Å; Y440-L464 WeakPolarHBondContact CA-O 3.44Å; Y440-E465 HydrophobicContact CD1-CB 4.08Å; Y440-E465 HydrophobicContact CD1-CG 4.37Å; Y440-E465 HydrophobicContact CE1-CB 3.85Å; Y440-E465 HydrophobicContact CE1-CG 3.83Å; Y440-E465 HydrophobicContact CE2-CG 4.43Å; Y440-E465 VanDerWaalsContact CZ-OE1 3.22Å; Y440-E465 PolarHBondContact OH-OE1 2.79Å; Y440-L476 HydrophobicContact CD1-CD1 3.94Å; Y440-L476 HydrophobicContact CE1-CD1 3.57Å; Y440-I495 HydrophobicContact CD1-CD1 3.69Å; Y440-I495 HydrophobicContact CD2-CD1 4.01Å; Y440-I495 HydrophobicContact CE1-CD1 4.28Å; Y440-I495 HydrophobicContact CG-CD1 3.54Å; Y440-Y521 HydrophobicContact CE1-CE1 4.39Å
441	V	97.6	Very high	86.8	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	130.3	176.3	172.3	0	0	0	0	108.6	L391 L423 L427 H430 S431 V432 L464 W473	L391-V441 HydrophobicContact CD2-CG2 3.9Å; L423-V441 HydrophobicContact CD2-CB 4.44Å; L423-V441 HydrophobicContact CD2-CG1 4.26Å; L423-V441 HydrophobicContact CD2-CG2 3.98Å; L427-V441 HydrophobicContact CD1-CG1 3.71Å; H430-V441 HydrophobicContact CB-CG1 4.28Å; S431-V441 WeakPolarHBondContact O-CA 3.2Å; V432-V441 HydrophobicContact CG2-CG2 3.78Å; V441-L464 HydrophobicContact CB-CB 4.28Å; V441-L464 HydrophobicContact CG1-CD1 4.39Å; V441-L464 PolarHBondContact N-O 2.92Å; V441-L464 PolarHBondContact O-N 3.18Å; V441-W473 HydrophobicContact CB-CH2 4.45Å; V441-W473 HydrophobicContact CB-CZ3 4.09Å; V441-W473 HydrophobicContact CG2-CH2 3.47Å; V441-W473 VanDerWaalsContact CG2-CH2 3.47Å; V441-W473 HydrophobicContact CG2-CZ3 3.55Å
442	L	95.8	Very high	84.8	Confident	1 Å²	1	58.2 Å²	58.2	1%	0.005	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	146.4	-177.2	61.4	99.3	0	0	0	112.7	S431 L463 M479 A488 I495 V497	S431-L442 PolarHBondContact N-O 2.77Å; S431-L442 PolarHBondContact O-N 3.14Å; L442-L463 HydrophobicContact CB-CD1 4.04Å; L442-L463 HydrophobicContact CD2-CD1 4.41Å; L442-M479 HydrophobicContact CB-CE 4.25Å; L442-M479 HydrophobicContact CB-SD 4.24Å; L442-M479 HydrophobicContact CD1-SD 4.12Å; L442-A488 HydrophobicContact CD1-CB 4.07Å; L442-A488 HydrophobicContact CD2-CB 3.92Å; L442-A488 HydrophobicContact CG-CB 4.4Å; L442-I495 HydrophobicContact CD2-CG2 4.15Å; L442-V497 HydrophobicContact CD1-CG1 3.77Å; L442-V497 HydrophobicContact CD1-CG2 3.83Å; L442-V497 HydrophobicContact CD2-CG2 3.99Å
443	G	93.6	Very high	82.9	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	30%	0.297	C	S	.	.			trans	67.7	-154.7	175.6	0	0	0	0	0	113.8	S460 K483	G443-S460 WeakPolarHBondContact CA-O 3.3Å; G443-K483 CarbonylContact C-O 3.56Å; G443-K483 VanDerWaalsContact CA-O 3.26Å; G443-K483 WeakPolarHBondContact CA-O 3.28Å
444	G	92.9	Very high	80.8	Confident	0 Å²	0	70.4 Å²	70.4	0%	0	34%	0.335	C	S	.	.			trans	94.8	177.9	177.1	0	0	0	0	0	114.1	A428 L459 S460 K483	A428-G444 CarbonylContact O-C 3.55Å; A428-G444 VanDerWaalsContact O-CA 3.3Å; A428-G444 WeakPolarHBondContact O-CA 2.89Å; G444-L459 WeakPolarHBondContact O-CA 3.36Å; G444-S460 PolarHBondContact O-N 2.85Å; G444-K483 PolarHBondContact N-O 2.83Å
445	R	91.1	Very high	78.9	Confident	55 Å²	55	72.3 Å²	72.3	21%	0.208	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	136.2	178	-64.3	-173.3	-179.8	172	-3.1	110.6	I403 L427 A428 Y429 D457 R458 L459 Y484	I403-R445 HydrophobicContact CD1-CB 4.43Å; L427-R445 WeakPolarHBondContact CA-O 3.18Å; A428-R445 PolarHBondContact N-O 2.91Å; A428-R445 PolarHBondContact O-N 2.82Å; Y429-R445 HydrophobicContact CD2-CG 4.17Å; R445-D457 HydrophobicContact CB-CB 4.43Å; R445-R458 CarbonylContact C-O 3.54Å; R445-R458 VanDerWaalsContact CA-O 3.32Å; R445-R458 WeakPolarHBondContact CA-O 3.23Å; R445-L459 HydrophobicContact CG-CD2 3.73Å; R445-Y484 HydrophobicContact CG-CD1 4.49Å; R445-Y484 HydrophobicContact CG-CG 4.39Å; R445-Y484 PolarHBondContact NH2-OH 3.38Å
446	T	89.4	Confident	77.3	Confident	26 Å²	26	75.7 Å²	75.7	16%	0.16	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	143.4	174.2	178.8	0	0	0	0	109.4	R458	T446-R458 HydrophobicContact CG2-CB 3.78Å; T446-R458 PolarHBondContact N-O 2.9Å; T446-R458 PolarHBondContact O-N 2.79Å
447	P	84.2	Confident	76.4	Confident	53 Å²	53	72.7 Å²	72.7	34%	0.344	36%	0.36	S	S	.	.			trans	-63.9	143.9	177.4	25.1	-33.2	0	0	0	111.3	P426	P426-P447 HydrophobicContact CB-CG 4.19Å; P426-P447 HydrophobicContact CG-CG 4.27Å
448	Q	67.4	Low	76.1	Confident	38 Å²	38	71.7 Å²	71.7	18%	0.178	35%	0.349	C	S	.	.			trans	-90	-26	-175.9	-173.4	148.5	-19.6	0	0	114	E455 P456 R458	Q448-E455 HydrophobicContact CG-CB 4.35Å; Q448-E455 PolarHBondContact NE2-OE2 2.98Å; Q448-P456 PolarHBondContact OE1-O 2.84Å; Q448-R458 HydrophobicContact CB-CG 4.08Å; Q448-R458 HydrophobicContact CG-CG 3.95Å
449	S	55.8	Low	75.9	Confident	86 Å²	86	71.3 Å²	71.3	60%	0.601	35%	0.346	S	S	*	.			trans	177.7	156.5	173.7	173.8	0	0	0	0	109.1	R451	S449-R451 PolarHBondContact O-N 2.79Å
450	Y	51.8	Low	75.8	Confident	221 Å²	221	71.5 Å²	71.5	87%	0.867	35%	0.347	S	S	*	.	S	Bend	trans	-68.7	9.1	176.2	-73.2	-85.5	0	0	0	114.7
451	R	50.7	Low	75.6	Confident	221 Å²	221	72.4 Å²	72.4	83%	0.834	35%	0.352	S	S	*	.			trans	-100.5	126.6	178.9	-70.1	-168.7	173.2	-179.9	-1.2	110	S449 D453	S449-R451 PolarHBondContact O-N 2.79Å; R451-D453 VanDerWaalsContact C-N 3.33Å; R451-D453 PolarHBondContact O-N 3.35Å
452	M	52	Low	75.6	Confident	130 Å²	130	76.8 Å²	76.8	64%	0.64	37%	0.369	S	S	*	.			trans	-76.8	-6.8	-157.4	-84.2	-97.1	158.3	0	0	115.9	Q400	Q400-M452 VanDerWaalsContact CD-CE 3.47Å; Q400-M452 HydrophobicContact CG-CE 4.39Å; Q400-M452 VanDerWaalsContact OE1-CE 3.28Å
453	D	54	Low	75.7	Confident	135 Å²	135	76.7 Å²	76.7	72%	0.722	37%	0.369	S	S	*	.	S	Bend	trans	-136.3	122.2	-167.7	-58.3	-56.1	0	0	0	110.7	R451	R451-D453 VanDerWaalsContact C-N 3.33Å; R451-D453 PolarHBondContact O-N 3.35Å
454	D	52.8	Low	75.9	Confident	162 Å²	162	76.8 Å²	76.8	87%	0.866	37%	0.369	S	S	*	.	S	Bend	trans	103.7	-3.1	157	-57.7	-28.7	0	0	0	122
455	E	55.3	Low	76.1	Confident	141 Å²	141	78.8 Å²	78.8	66%	0.659	38%	0.378	S	S	*	.			trans	-123.3	131.9	173.4	-64.8	-156.7	162.2	0	0	114.6	Q448	Q448-E455 HydrophobicContact CG-CB 4.35Å; Q448-E455 PolarHBondContact NE2-OE2 2.98Å
456	P	62.2	Low	76.5	Confident	79 Å²	79	76.1 Å²	76.1	51%	0.513	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-65	147.3	-177.9	27.5	-34.5	0	0	0	111.9	Q448 R458	Q448-P456 PolarHBondContact OE1-O 2.84Å; P456-R458 PolarHBondContact O-N 2.89Å
457	D	72.9	Confident	76.8	Confident	57 Å²	57	77 Å²	77	31%	0.305	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-47.8	139.1	170.8	-71	-31.2	0	0	0	111.6	R445 R512	R445-D457 HydrophobicContact CB-CB 4.43Å; D457-R512 PolarHBondContact O-NH1 2.93Å; D457-R512 PolarHBondContact O-NH2 3.4Å
458	R	87.3	Confident	77.3	Confident	80 Å²	80	75.8 Å²	75.8	30%	0.302	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	159.7	176.5	-64.1	-170	177.6	-178	8.4	112.1	R445 T446 Q448 P456 D507	R445-R458 CarbonylContact C-O 3.54Å; R445-R458 VanDerWaalsContact CA-O 3.32Å; R445-R458 WeakPolarHBondContact CA-O 3.23Å; T446-R458 HydrophobicContact CG2-CB 3.78Å; T446-R458 PolarHBondContact N-O 2.9Å; T446-R458 PolarHBondContact O-N 2.79Å; Q448-R458 HydrophobicContact CB-CG 4.08Å; Q448-R458 HydrophobicContact CG-CG 3.95Å; P456-R458 PolarHBondContact O-N 2.89Å; R458-D507 HydrophobicContact CB-CB 4.44Å; R458-D507 WeakPolarHBondContact CD-O 3.24Å
459	L	91.9	Very high	78.6	Confident	5 Å²	5	81 Å²	81	3%	0.026	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	138	171.5	-57.6	-176.4	0	0	0	111.8	G444 R445 S482 Y484 D507 R512	G444-L459 WeakPolarHBondContact O-CA 3.36Å; R445-L459 HydrophobicContact CG-CD2 3.73Å; L459-S482 WeakPolarHBondContact CD1-O 3.39Å; L459-S482 WeakPolarHBondContact O-CB 3.31Å; L459-S482 PolarHBondContact O-OG 3.43Å; L459-Y484 HydrophobicContact CD1-CD1 3.87Å; L459-Y484 HydrophobicContact CD1-CE1 4.2Å; L459-Y484 HydrophobicContact CD2-CD1 3.32Å; L459-Y484 HydrophobicContact CD2-CE1 3.81Å; L459-Y484 HydrophobicContact CD2-CG 4.18Å; L459-Y484 HydrophobicContact CG-CD1 4.24Å; L459-D507 HydrophobicContact CB-CB 4.16Å; L459-D507 WeakPolarHBondContact CB-OD2 2.92Å; L459-D507 WeakPolarHBondContact CG-OD2 3.23Å; L459-D507 PolarHBondContact N-OD2 2.83Å; L459-D507 WeakPolarHBondContact O-CB 2.9Å; L459-R512 HydrophobicContact CD1-CG 4.2Å
460	S	94.3	Very high	80.6	Confident	6 Å²	6	80.7 Å²	80.7	4%	0.042	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-86.4	140.3	174.7	-175.1	0	0	0	0	110.9	G443 G444 R462 S482 K483	G443-S460 WeakPolarHBondContact CA-O 3.3Å; G444-S460 PolarHBondContact O-N 2.85Å; S460-R462 PolarHBondContact OG-N 2.97Å; S460-R462 VanDerWaalsContact OG-N 3.09Å; S460-S482 WeakPolarHBondContact O-CA 3.01Å; S460-K483 PolarHBondContact O-N 2.82Å
461	N	95.7	Very high	82.7	Confident	24 Å²	24	73.1 Å²	73.1	13%	0.128	36%	0.362	C	S	.	.			trans	-109.3	7.9	163	69	-29.7	0	0	0	112.1	P478 M479 S482	N461-P478 CarbonylContact O-C 3.58Å; N461-P478 WeakPolarHBondContact O-CA 3.5Å; N461-M479 HydrophobicContact CB-CB 4.23Å; N461-M479 WeakPolarHBondContact CB-O 3.3Å; N461-M479 PolarHBondContact ND2-O 3.38Å; N461-M479 PolarHBondContact O-N 2.83Å; N461-S482 WeakPolarHBondContact CB-OG 3.3Å; N461-S482 PolarHBondContact N-OG 2.89Å
462	R	96.3	Very high	84.9	Confident	92 Å²	92	69.3 Å²	69.3	35%	0.347	35%	0.352	S	S	.	.			trans	-73.2	147	-178.3	-60.3	-173.8	-175.1	-151.1	7	111.4	S460 L464 E475	S460-R462 PolarHBondContact OG-N 2.97Å; S460-R462 VanDerWaalsContact OG-N 3.09Å; R462-L464 HydrophobicContact CB-CD2 4.32Å; R462-E475 VanDerWaalsContact CD-OE1 3.3Å; R462-E475 WeakPolarHBondContact CD-OE1 3.16Å; R462-E475 IonicContact CZ-OE1 3.65Å; R462-E475 IonicContact CZ-OE2 3.76Å; R462-E475 IonicContact NE-OE1 3.58Å; R462-E475 IonicContact NH1-OE1 3.34Å; R462-E475 PolarHBondContact NH1-OE1 3.11Å; R462-E475 IonicContact NH1-OE2 2.76Å; R462-E475 PolarHBondContact NH1-OE2 3.33Å
463	L	97.6	Very high	87.1	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	125.1	168.2	178.1	65.1	0	0	0	108.3	Y440 L442 L476 Y521 W528	Y440-L463 HydrophobicContact CD1-CD1 4.18Å; Y440-L463 HydrophobicContact CD1-CG 4.45Å; L442-L463 HydrophobicContact CB-CD1 4.04Å; L442-L463 HydrophobicContact CD2-CD1 4.41Å; L463-L476 HydrophobicContact CB-CB 4.23Å; L463-L476 HydrophobicContact CD2-CB 3.87Å; L463-L476 HydrophobicContact CD2-CD1 3.89Å; L463-L476 HydrophobicContact CG-CB 4.05Å; L463-L476 HydrophobicContact CG-CD1 4.11Å; L463-L476 PolarHBondContact O-N 2.92Å; L463-Y521 HydrophobicContact CD2-CD1 3.6Å; L463-Y521 HydrophobicContact CD2-CD2 3.73Å; L463-Y521 HydrophobicContact CD2-CE1 3.49Å; L463-Y521 VanDerWaalsContact CD2-CE1 3.49Å; L463-Y521 HydrophobicContact CD2-CE2 3.63Å; L463-Y521 HydrophobicContact CD2-CG 3.72Å; L463-W528 HydrophobicContact CB-CZ2 4.31Å; L463-W528 HydrophobicContact CD2-CZ2 3.86Å; L463-W528 HydrophobicContact CG-CZ2 4.46Å
464	L	98.1	Very high	89.2	Confident	1 Å²	1	61.6 Å²	61.6	1%	0.005	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	123.7	-177.1	-48	169.2	0	0	0	109.4	L423 P424 L425 L427 Y440 V441 R462 W473 T474 E475	L423-L464 HydrophobicContact CD2-CD1 4.39Å; P424-L464 HydrophobicContact CG-CD1 4.41Å; P424-L464 HydrophobicContact CG-CD2 4.26Å; L425-L464 HydrophobicContact CD2-CD1 3.64Å; L425-L464 HydrophobicContact CD2-CD2 4.38Å; L427-L464 HydrophobicContact CD1-CD1 4.15Å; Y440-L464 CarbonylContact C-O 3.56Å; Y440-L464 VanDerWaalsContact CA-O 3.29Å; Y440-L464 WeakPolarHBondContact CA-O 3.44Å; V441-L464 HydrophobicContact CB-CB 4.28Å; V441-L464 HydrophobicContact CG1-CD1 4.39Å; V441-L464 PolarHBondContact N-O 2.92Å; V441-L464 PolarHBondContact O-N 3.18Å; R462-L464 HydrophobicContact CB-CD2 4.32Å; L464-W473 HydrophobicContact CB-CE3 3.75Å; L464-W473 HydrophobicContact CB-CZ3 4.01Å; L464-T474 WeakPolarHBondContact CA-O 3.31Å; L464-E475 HydrophobicContact CD2-CB 4.14Å; L464-E475 HydrophobicContact CD2-CG 4.11Å
465	E	98	Very high	91.4	Very high	42 Å²	42	58.4 Å²	58.4	20%	0.196	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	131	172.9	-179.2	-171.5	-104.4	0	0	110.1	C438 L439 Y440 W473 T474 L476	C438-E465 HydrophobicContact CB-CG 3.95Å; L439-E465 CarbonylContact O-C 3.49Å; L439-E465 WeakPolarHBondContact O-CA 3.32Å; Y440-E465 HydrophobicContact CD1-CB 4.08Å; Y440-E465 HydrophobicContact CD1-CG 4.37Å; Y440-E465 HydrophobicContact CE1-CB 3.85Å; Y440-E465 HydrophobicContact CE1-CG 3.83Å; Y440-E465 HydrophobicContact CE2-CG 4.43Å; Y440-E465 VanDerWaalsContact CZ-OE1 3.22Å; Y440-E465 PolarHBondContact OH-OE1 2.79Å; E465-W473 CarbonylContact O-C 3.57Å; E465-W473 VanDerWaalsContact O-CA 3.25Å; E465-W473 WeakPolarHBondContact O-CA 3.43Å; E465-T474 PolarHBondContact N-O 3.26Å; E465-T474 PolarHBondContact O-N 3.13Å; E465-L476 HydrophobicContact CB-CD1 3.71Å; E465-L476 HydrophobicContact CB-CG 4.36Å
466	Y	98.4	Very high	93.4	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	122.3	170.4	177.5	-108.8	0	0	0	110.9	Y389 A421 C438 L439 P468 N471 W473	Y389-Y466 HydrophobicContact CD1-CE1 4.21Å; Y389-Y466 HydrophobicContact CE1-CD1 4.37Å; Y389-Y466 AromaticContact CE1-CE1 3.48Å; Y389-Y466 HydrophobicContact CE1-CE1 3.48Å; Y389-Y466 VanDerWaalsContact CE1-CE1 3.48Å; Y389-Y466 AromaticContact CZ-CE1 3.92Å; A421-Y466 HydrophobicContact CB-CE2 4.23Å; C438-Y466 WeakPolarHBondContact CA-O 3.44Å; C438-Y466 WeakPolarHBondContact CB-O 3.49Å; L439-Y466 HydrophobicContact CD1-CD1 4.44Å; L439-Y466 PolarHBondContact N-O 2.62Å; L439-Y466 VanDerWaalsContact N-O 3.14Å; L439-Y466 PolarHBondContact O-N 2.8Å; Y466-P468 HydrophobicContact CE1-CB 4.02Å; Y466-N471 WeakPolarHBondContact CE2-OD1 3.43Å; Y466-N471 PolarHBondContact OH-OD1 2.94Å; Y466-W473 VanDerWaalsContact CB-CH2 3.44Å; Y466-W473 VanDerWaalsContact CB-CZ3 3.42Å; Y466-W473 AromaticContact CD2-CD2 3.91Å; Y466-W473 HydrophobicContact CD2-CD2 3.91Å; Y466-W473 AromaticContact CD2-CE2 3.51Å; Y466-W473 HydrophobicContact CD2-CG 4.21Å; Y466-W473 HydrophobicContact CD2-CH2 4.46Å; Y466-W473 AromaticContact CD2-CZ2 3.81Å; Y466-W473 HydrophobicContact CD2-CZ2 3.81Å; Y466-W473 AromaticContact CD2-NE1 3.63Å; Y466-W473 HydrophobicContact CG-CD2 4.31Å; Y466-W473 AromaticContact CG-CE2 3.97Å; Y466-W473 HydrophobicContact CG-CH2 4.1Å; Y466-W473 AromaticContact CG-CZ2 3.85Å; Y466-W473 HydrophobicContact CG-CZ2 3.85Å; Y466-W473 HydrophobicContact CG-CZ3 4.45Å
467	N	96.6	Very high	95.1	Very high	44 Å²	44	50.3 Å²	50.3	24%	0.235	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	113.6	171.9	-176.9	-35	0	0	0	109.7	N469 T470 N471 K472	N467-N469 VanDerWaalsContact C-N 3.3Å; N467-N469 PolarHBondContact O-N 2.88Å; N467-N469 VanDerWaalsContact OD1-CB 3.32Å; N467-N469 WeakPolarHBondContact OD1-CB 3.43Å; N467-N469 PolarHBondContact OD1-N 3.25Å; N467-T470 WeakPolarHBondContact CB-OG1 3.31Å; N467-T470 PolarHBondContact O-N 2.81Å; N467-T470 PolarHBondContact O-OG1 2.93Å; N467-T470 PolarHBondContact OD1-N 3.13Å; N467-N471 WeakPolarHBondContact O-CA 3.49Å; N467-N471 PolarHBondContact O-N 3.19Å; N467-K472 PolarHBondContact N-O 3.05Å; N467-K472 PolarHBondContact O-N 2.96Å
468	P	94.8	Very high	96.2	Very high	28 Å²	28	50.9 Å²	50.9	18%	0.182	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-27.4	-177.2	31.7	-40.1	0	0	0	113.1	L384 D437 Y466	L384-P468 HydrophobicContact CD1-CB 4.18Å; L384-P468 HydrophobicContact CD1-CG 3.88Å; D437-P468 WeakPolarHBondContact O-CD 3.27Å; D437-P468 WeakPolarHBondContact O-CG 3.43Å; Y466-P468 HydrophobicContact CE1-CB 4.02Å
469	N	94.9	Very high	96.7	Very high	146 Å²	146	47.2 Å²	47.2	78%	0.781	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-38.7	-178.6	-63.8	-43.2	0	0	0	111.2	N467	N467-N469 VanDerWaalsContact C-N 3.3Å; N467-N469 PolarHBondContact O-N 2.88Å; N467-N469 VanDerWaalsContact OD1-CB 3.32Å; N467-N469 WeakPolarHBondContact OD1-CB 3.43Å; N467-N469 PolarHBondContact OD1-N 3.25Å
470	T	96.2	Very high	96.9	Very high	80 Å²	80	50.6 Å²	50.6	49%	0.491	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-12	177.1	59.2	0	0	0	0	113.5	N467 K472	N467-T470 WeakPolarHBondContact CB-OG1 3.31Å; N467-T470 PolarHBondContact O-N 2.81Å; N467-T470 PolarHBondContact O-OG1 2.93Å; N467-T470 PolarHBondContact OD1-N 3.13Å; T470-K472 VanDerWaalsContact C-N 3.33Å; T470-K472 PolarHBondContact O-N 2.76Å
471	N	96.8	Very high	97	Very high	63 Å²	63	52.2 Å²	52.2	34%	0.337	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.2	51.9	-170.6	-171.6	39.8	0	0	0	111.8	A421 Y466 N467	A421-N471 VanDerWaalsContact CB-O 3.23Å; A421-N471 WeakPolarHBondContact CB-O 3.43Å; A421-N471 WeakPolarHBondContact CB-OD1 3.16Å; A421-N471 PolarHBondContact N-OD1 3.46Å; Y466-N471 WeakPolarHBondContact CE2-OD1 3.43Å; Y466-N471 PolarHBondContact OH-OD1 2.94Å; N467-N471 WeakPolarHBondContact O-CA 3.49Å; N467-N471 PolarHBondContact O-N 3.19Å
472	K	97.6	Very high	97	Very high	140 Å²	140	51 Å²	51	61%	0.609	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.7	149.3	-176.5	-74.5	-179.4	-177.5	-177.6	0	111.1	N467 T470	N467-K472 PolarHBondContact N-O 3.05Å; N467-K472 PolarHBondContact O-N 2.96Å; T470-K472 VanDerWaalsContact C-N 3.33Å; T470-K472 PolarHBondContact O-N 2.76Å
473	W	98.3	Very high	96.8	Very high	35 Å²	35	46.7 Å²	46.7	13%	0.133	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	139.4	172.9	-68.3	95.7	0	0	0	110.6	L391 V407 A421 P422 L423 P424 V441 L464 E465 Y466	L391-W473 HydrophobicContact CD2-CH2 3.68Å; L391-W473 HydrophobicContact CD2-CZ2 3.98Å; V407-W473 HydrophobicContact CG2-CZ2 4.05Å; A421-W473 PolarHBondContact O-NE1 3.28Å; P422-W473 PolarHBondContact O-NE1 3.23Å; L423-W473 HydrophobicContact CD2-CD2 4.39Å; L423-W473 HydrophobicContact CD2-CE3 4.35Å; L423-W473 HydrophobicContact CD2-CH2 3.49Å; L423-W473 VanDerWaalsContact CD2-CH2 3.49Å; L423-W473 HydrophobicContact CD2-CZ2 3.52Å; L423-W473 HydrophobicContact CD2-CZ3 3.91Å; L423-W473 HydrophobicContact CG-CZ2 4.36Å; P424-W473 HydrophobicContact CG-CB 3.58Å; P424-W473 HydrophobicContact CG-CG 4.04Å; V441-W473 HydrophobicContact CB-CH2 4.45Å; V441-W473 HydrophobicContact CB-CZ3 4.09Å; V441-W473 HydrophobicContact CG2-CH2 3.47Å; V441-W473 VanDerWaalsContact CG2-CH2 3.47Å; V441-W473 HydrophobicContact CG2-CZ3 3.55Å; L464-W473 HydrophobicContact CB-CE3 3.75Å; L464-W473 HydrophobicContact CB-CZ3 4.01Å; E465-W473 CarbonylContact O-C 3.57Å; E465-W473 VanDerWaalsContact O-CA 3.25Å; E465-W473 WeakPolarHBondContact O-CA 3.43Å; Y466-W473 VanDerWaalsContact CB-CH2 3.44Å; Y466-W473 VanDerWaalsContact CB-CZ3 3.42Å; Y466-W473 AromaticContact CD2-CD2 3.91Å; Y466-W473 HydrophobicContact CD2-CD2 3.91Å; Y466-W473 AromaticContact CD2-CE2 3.51Å; Y466-W473 HydrophobicContact CD2-CG 4.21Å; Y466-W473 HydrophobicContact CD2-CH2 4.46Å; Y466-W473 AromaticContact CD2-CZ2 3.81Å; Y466-W473 HydrophobicContact CD2-CZ2 3.81Å; Y466-W473 AromaticContact CD2-NE1 3.63Å; Y466-W473 HydrophobicContact CG-CD2 4.31Å; Y466-W473 AromaticContact CG-CE2 3.97Å; Y466-W473 HydrophobicContact CG-CH2 4.1Å; Y466-W473 AromaticContact CG-CZ2 3.85Å; Y466-W473 HydrophobicContact CG-CZ2 3.85Å; Y466-W473 HydrophobicContact CG-CZ3 4.45Å
474	T	97.7	Very high	96.5	Very high	69 Å²	69	47.5 Å²	47.5	42%	0.423	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	129.6	174.1	-54.4	0	0	0	0	108.6	L464 E465 L476	L464-T474 WeakPolarHBondContact CA-O 3.31Å; E465-T474 PolarHBondContact N-O 3.26Å; E465-T474 PolarHBondContact O-N 3.13Å; T474-L476 HydrophobicContact CG2-CD2 4.49Å
475	E	97.8	Very high	96.1	Very high	95 Å²	95	50.6 Å²	50.6	44%	0.444	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	130.7	174.1	-174.2	167.4	164.2	0	0	109.2	R462 L464	R462-E475 VanDerWaalsContact CD-OE1 3.3Å; R462-E475 WeakPolarHBondContact CD-OE1 3.16Å; R462-E475 IonicContact CZ-OE1 3.65Å; R462-E475 IonicContact CZ-OE2 3.76Å; R462-E475 IonicContact NE-OE1 3.58Å; R462-E475 IonicContact NH1-OE1 3.34Å; R462-E475 PolarHBondContact NH1-OE1 3.11Å; R462-E475 IonicContact NH1-OE2 2.76Å; R462-E475 PolarHBondContact NH1-OE2 3.33Å; L464-E475 HydrophobicContact CD2-CB 4.14Å; L464-E475 HydrophobicContact CD2-CG 4.11Å
476	L	97.9	Very high	95.8	Very high	27 Å²	27	48.6 Å²	48.6	14%	0.141	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	179	-177.3	-64.4	170.8	0	0	0	110.3	Y440 L463 E465 T474 Y521	Y440-L476 HydrophobicContact CD1-CD1 3.94Å; Y440-L476 HydrophobicContact CE1-CD1 3.57Å; L463-L476 HydrophobicContact CB-CB 4.23Å; L463-L476 HydrophobicContact CD2-CB 3.87Å; L463-L476 HydrophobicContact CD2-CD1 3.89Å; L463-L476 HydrophobicContact CG-CB 4.05Å; L463-L476 HydrophobicContact CG-CD1 4.11Å; L463-L476 PolarHBondContact O-N 2.92Å; E465-L476 HydrophobicContact CB-CD1 3.71Å; E465-L476 HydrophobicContact CB-CG 4.36Å; T474-L476 HydrophobicContact CG2-CD2 4.49Å; L476-Y521 HydrophobicContact CD1-CE1 4.23Å; L476-Y521 WeakPolarHBondContact CD1-OH 3.45Å
477	A	97.5	Very high	95.6	Very high	22 Å²	22	48.6 Å²	48.6	18%	0.182	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-51.6	130.9	177.6	0	0	0	0	0	111.1	Y521 D526 W528	A477-Y521 HydrophobicContact CB-CE2 4.44Å; A477-D526 VanDerWaalsContact CB-O 3.31Å; A477-D526 WeakPolarHBondContact CB-O 3.39Å; A477-D526 WeakPolarHBondContact CB-OD1 3.47Å; A477-D526 PolarHBondContact N-OD1 2.78Å; A477-W528 PolarHBondContact O-NE1 3.4Å
478	P	97.3	Very high	95.5	Very high	70 Å²	70	47 Å²	47	46%	0.455	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-75.2	151.3	-175.9	31.1	-35.6	0	0	0	111.8	N461 W528	N461-P478 CarbonylContact O-C 3.58Å; N461-P478 WeakPolarHBondContact O-CA 3.5Å; P478-W528 PolarHBondContact O-NE1 3.33Å
479	M	97.3	Very high	95.5	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.01	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-59.6	152.6	168.1	-67	-178.1	-60.9	0	0	110.9	L442 N461 Y481 V497 W528	L442-M479 HydrophobicContact CB-CE 4.25Å; L442-M479 HydrophobicContact CB-SD 4.24Å; L442-M479 HydrophobicContact CD1-SD 4.12Å; N461-M479 HydrophobicContact CB-CB 4.23Å; N461-M479 WeakPolarHBondContact CB-O 3.3Å; N461-M479 PolarHBondContact ND2-O 3.38Å; N461-M479 PolarHBondContact O-N 2.83Å; M479-Y481 VanDerWaalsContact C-N 3.27Å; M479-Y481 PolarHBondContact O-N 2.67Å; M479-V497 HydrophobicContact SD-CG1 4.19Å; M479-V497 HydrophobicContact SD-CG2 4.22Å; M479-W528 HydrophobicContact CB-CZ2 4.4Å; M479-W528 HydrophobicContact CG-CD2 4.41Å; M479-W528 HydrophobicContact CG-CH2 3.47Å; M479-W528 VanDerWaalsContact CG-CH2 3.47Å; M479-W528 HydrophobicContact CG-CZ2 3.29Å; M479-W528 HydrophobicContact CG-CZ3 4.11Å; M479-W528 HydrophobicContact SD-CH2 4.05Å; M479-W528 HydrophobicContact SD-CZ2 4.36Å
480	K	96.4	Very high	95.6	Very high	77 Å²	77	41.4 Å²	41.4	34%	0.335	21%	0.212	S	C	.	.	S	Bend	trans	-65.9	-32.4	172.8	-178.6	175.1	174.6	-178.7	0	111.4	E504 G505 E519 D530	K480-E504 WeakPolarHBondContact CE-OE1 3.2Å; K480-E504 HydrophobicContact CG-CG 4.39Å; K480-G505 WeakPolarHBondContact O-CA 3.43Å; K480-G505 PolarHBondContact O-N 2.82Å; K480-E519 WeakPolarHBondContact CA-OE2 3.45Å; K480-E519 VanDerWaalsContact CB-OE2 3.28Å; K480-E519 WeakPolarHBondContact CB-OE2 3.34Å; K480-E519 PolarHBondContact N-OE2 3.25Å; K480-D530 IonicContact NZ-OD1 2.96Å; K480-D530 IonicContact NZ-OD2 3.26Å; K480-D530 PolarHBondContact NZ-OD2 2.93Å
481	Y	95.9	Very high	95.6	Very high	39 Å²	39	37.9 Å²	37.9	15%	0.153	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	131.6	-179.7	-62.3	-88.4	0	0	0	112.5	M479 K483 C503 E504 L515 A517 E519	M479-Y481 VanDerWaalsContact C-N 3.27Å; M479-Y481 PolarHBondContact O-N 2.67Å; Y481-K483 PolarHBondContact O-N 2.77Å; Y481-C503 CarbonylContact C-O 3.51Å; Y481-C503 WeakPolarHBondContact CA-O 3.49Å; Y481-E504 HydrophobicContact CD1-CB 3.93Å; Y481-E504 HydrophobicContact CD1-CG 4.37Å; Y481-E504 HydrophobicContact CE1-CB 3.72Å; Y481-E504 HydrophobicContact CE1-CG 4.01Å; Y481-L515 HydrophobicContact CD1-CD1 3.97Å; Y481-L515 HydrophobicContact CD1-CD2 4.08Å; Y481-L515 HydrophobicContact CE1-CD2 4.19Å; Y481-L515 HydrophobicContact CG-CD1 3.92Å; Y481-A517 HydrophobicContact CD2-CB 4.24Å; Y481-A517 HydrophobicContact CE2-CB 3.84Å; Y481-E519 HydrophobicContact CD2-CG 4.41Å; Y481-E519 WeakPolarHBondContact CD2-OE1 3.23Å
482	S	95.2	Very high	95.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	109.1	164	-96.3	0	0	0	0	109	L459 S460 N461 G502 C503 G505 D507	L459-S482 WeakPolarHBondContact CD1-O 3.39Å; L459-S482 WeakPolarHBondContact O-CB 3.31Å; L459-S482 PolarHBondContact O-OG 3.43Å; S460-S482 WeakPolarHBondContact O-CA 3.01Å; N461-S482 WeakPolarHBondContact CB-OG 3.3Å; N461-S482 PolarHBondContact N-OG 2.89Å; S482-G502 CarbonylContact O-C 3.57Å; S482-G502 WeakPolarHBondContact O-CA 3.38Å; S482-C503 PolarHBondContact N-O 2.91Å; S482-C503 PolarHBondContact O-N 2.78Å; S482-G505 WeakPolarHBondContact CB-O 3.26Å; S482-G505 PolarHBondContact N-O 2.67Å; S482-G505 PolarHBondContact OG-O 2.88Å; S482-D507 PolarHBondContact OG-N 3.04Å
483	K	93.4	Very high	95.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	161.4	-169.5	67.3	-171.8	-179.2	-171.9	0	114.8	G443 G444 S460 Y481 C486 I501 L515 E519	G443-K483 CarbonylContact C-O 3.56Å; G443-K483 VanDerWaalsContact CA-O 3.26Å; G443-K483 WeakPolarHBondContact CA-O 3.28Å; G444-K483 PolarHBondContact N-O 2.83Å; S460-K483 PolarHBondContact O-N 2.82Å; Y481-K483 PolarHBondContact O-N 2.77Å; K483-C486 HydrophobicContact CD-CB 4.27Å; K483-C486 HydrophobicContact CG-CB 4.46Å; K483-I501 WeakPolarHBondContact CA-O 3.42Å; K483-I501 WeakPolarHBondContact CB-O 3.44Å; K483-L515 HydrophobicContact CB-CD1 4.23Å; K483-L515 HydrophobicContact CD-CD1 3.85Å; K483-E519 WeakPolarHBondContact CE-OE1 3.38Å; K483-E519 IonicContact NZ-OE1 3.81Å; K483-E519 PolarHBondContact NZ-OE1 3.01Å
484	Y	91.2	Very high	95.3	Very high	18 Å²	18	35.4 Å²	35.4	7%	0.071	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	173.2	170.1	75.5	-72	0	0	0	110	Y429 R445 L459 C486 I501	Y429-Y484 HydrophobicContact CG-CD2 4.26Å; R445-Y484 HydrophobicContact CG-CD1 4.49Å; R445-Y484 HydrophobicContact CG-CG 4.39Å; R445-Y484 PolarHBondContact NH2-OH 3.38Å; L459-Y484 HydrophobicContact CD1-CD1 3.87Å; L459-Y484 HydrophobicContact CD1-CE1 4.2Å; L459-Y484 HydrophobicContact CD2-CD1 3.32Å; L459-Y484 HydrophobicContact CD2-CE1 3.81Å; L459-Y484 HydrophobicContact CD2-CG 4.18Å; L459-Y484 HydrophobicContact CG-CD1 4.24Å; Y484-C486 PolarHBondContact O-N 3.38Å; Y484-I501 HydrophobicContact CD1-CG2 3.85Å; Y484-I501 HydrophobicContact CE1-CG2 3.36Å; Y484-I501 HydrophobicContact CE2-CG2 4.18Å; Y484-I501 HydrophobicContact CG-CG2 4.46Å; Y484-I501 VanDerWaalsContact CZ-CG2 3.49Å; Y484-I501 PolarHBondContact N-O 3.21Å; Y484-I501 VanDerWaalsContact N-O 3.15Å; Y484-I501 PolarHBondContact O-N 3.31Å
485	R	88.8	Confident	95.3	Very high	65 Å²	65	32.1 Å²	32.1	25%	0.245	17%	0.172	C	C	.	.	S	Bend	trans	55	29.9	-171.4	-72.1	-177.5	173.1	-179.5	-1.9	113.4	G500 S540 R542	R485-G500 WeakPolarHBondContact O-CA 3.41Å; R485-S540 WeakPolarHBondContact O-CB 3.15Å; R485-S540 PolarHBondContact O-N 3.15Å; R485-S540 PolarHBondContact O-OG 3.17Å; R485-R542 PolarHBondContact NE-O 3.13Å; R485-R542 PolarHBondContact NH2-O 3.42Å
486	C	92.1	Very high	95.3	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.154	C	C	.	.			trans	-89.5	156.8	169	52.7	0	0	0	0	110.4	S431 K483 Y484 V497 I498 G499 S540	S431-C486 PolarHBondContact OG-O 3.49Å; K483-C486 HydrophobicContact CD-CB 4.27Å; K483-C486 HydrophobicContact CG-CB 4.46Å; Y484-C486 PolarHBondContact O-N 3.38Å; C486-V497 HydrophobicContact CB-CG1 3.88Å; C486-I498 WeakPolarHBondContact CA-O 3.33Å; C486-G499 WeakPolarHBondContact CB-O 3.48Å; C486-S540 WeakPolarHBondContact CA-OG 3.41Å
487	S	93.3	Very high	95.2	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	137.3	170	-90.2	0	0	0	0	109.5	V497 I498 S540 S546 N547	S487-V497 CarbonylContact O-C 3.54Å; S487-V497 WeakPolarHBondContact O-CA 3.34Å; S487-I498 PolarHBondContact N-O 3.1Å; S487-I498 PolarHBondContact O-N 3.46Å; S487-S540 PolarHBondContact N-OG 2.56Å; S487-S540 PolarHBondContact OG-OG 3.01Å; S487-S546 WeakPolarHBondContact CB-OG 3.33Å; S487-S546 WeakPolarHBondContact OG-CA 3.36Å; S487-S546 PolarHBondContact OG-OG 2.72Å; S487-N547 PolarHBondContact OG-N 2.9Å; S487-N547 PolarHBondContact OG-OD1 2.67Å
488	A	94.7	Very high	95.1	Very high	12 Å²	12	26 Å²	26	10%	0.099	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	132.7	178.5	0	0	0	0	0	110	V433 L442 F496	V433-A488 VanDerWaalsContact CG1-C 3.47Å; V433-A488 HydrophobicContact CG1-CB 3.54Å; V433-A488 WeakPolarHBondContact CG1-O 3.39Å; L442-A488 HydrophobicContact CD1-CB 4.07Å; L442-A488 HydrophobicContact CD2-CB 3.92Å; L442-A488 HydrophobicContact CG-CB 4.4Å; A488-F496 VanDerWaalsContact CA-O 3.3Å; A488-F496 WeakPolarHBondContact CA-O 3.44Å
489	L	96.2	Very high	94.9	Very high	12 Å²	12	22.8 Å²	22.8	6%	0.063	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	166.8	-177.6	57.2	84.2	0	0	0	111	L491 I495 F496 I498 A548 V550 I555	L489-L491 HydrophobicContact CD1-CB 4.47Å; L489-I495 WeakPolarHBondContact O-CA 3.24Å; L489-F496 HydrophobicContact CD1-CB 3.66Å; L489-F496 HydrophobicContact CD1-CD2 4.22Å; L489-F496 HydrophobicContact CD1-CG 4.09Å; L489-F496 HydrophobicContact CG-CB 4.17Å; L489-F496 PolarHBondContact N-O 2.9Å; L489-F496 PolarHBondContact O-N 2.84Å; L489-I498 HydrophobicContact CD2-CD1 4.01Å; L489-A548 HydrophobicContact CD2-CB 3.71Å; L489-V550 HydrophobicContact CB-CG2 4.35Å; L489-V550 HydrophobicContact CD1-CG2 3.63Å; L489-V550 HydrophobicContact CD2-CG2 4.39Å; L489-V550 HydrophobicContact CG-CG2 4.34Å; L489-I555 HydrophobicContact CD1-CD1 3.66Å; L489-I555 HydrophobicContact CD1-CG1 3.64Å; L489-I555 HydrophobicContact CD2-CG1 4.22Å; L489-I555 HydrophobicContact CD2-CG2 3.68Å
490	V	96.8	Very high	94.6	Very high	43 Å²	43	22.7 Å²	22.7	26%	0.261	12%	0.117	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	128.1	-179.2	179	0	0	0	0	109.4	V433 R434 M435 E494 I495	V433-V490 HydrophobicContact CB-CG2 4.01Å; V433-V490 HydrophobicContact CG2-CG2 4.07Å; R434-V490 WeakPolarHBondContact O-CG2 3.49Å; M435-V490 HydrophobicContact CB-CG1 4.27Å; M435-V490 HydrophobicContact CB-CG2 4.07Å; M435-V490 HydrophobicContact CG-CG1 4.04Å; M435-V490 HydrophobicContact SD-CG1 3.92Å; V490-E494 WeakPolarHBondContact CA-O 3.34Å; V490-I495 HydrophobicContact CG2-CG1 4.25Å
491	L	96.4	Very high	94.3	Very high	6 Å²	6	20.3 Å²	20.3	3%	0.031	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	130.8	175.7	176.1	67	0	0	0	109.4	L489 G493 E494 F496 V550 I555 P579	L489-L491 HydrophobicContact CD1-CB 4.47Å; L491-G493 PolarHBondContact O-N 3.18Å; L491-G493 VanDerWaalsContact O-N 3.1Å; L491-E494 PolarHBondContact N-O 3.09Å; L491-E494 PolarHBondContact O-N 3.21Å; L491-F496 HydrophobicContact CB-CD2 4.09Å; L491-F496 HydrophobicContact CB-CE2 3.83Å; L491-F496 HydrophobicContact CD2-CE2 4.3Å; L491-F496 HydrophobicContact CD2-CZ 4.3Å; L491-F496 HydrophobicContact CG-CE2 4.47Å; L491-V550 HydrophobicContact CB-CG2 4.26Å; L491-V550 HydrophobicContact CD1-CG1 3.61Å; L491-I555 HydrophobicContact CD2-CD1 3.8Å; L491-I555 HydrophobicContact CD2-CG1 3.89Å; L491-P579 HydrophobicContact CD2-CB 4.41Å; L491-P579 HydrophobicContact CD2-CG 3.35Å
492	N	93.6	Very high	94.1	Very high	127 Å²	127	18.4 Å²	18.4	68%	0.679	10%	0.101	S	C	*	.	T	Hydrogen-bonded Turn	trans	52	32.8	177.8	-59.8	-23.1	0	0	0	114.1	E494	N492-E494 VanDerWaalsContact C-N 3.32Å; N492-E494 PolarHBondContact O-N 3.4Å
493	G	94.8	Very high	94	Very high	29 Å²	29	18.7 Å²	18.7	30%	0.299	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.2	10	-179.4	0	0	0	0	0	115.2	L491 P523	L491-G493 PolarHBondContact O-N 3.18Å; L491-G493 VanDerWaalsContact O-N 3.1Å; G493-P523 VanDerWaalsContact O-CD 3.27Å; G493-P523 WeakPolarHBondContact O-CD 3.13Å; G493-P523 VanDerWaalsContact O-CG 3.26Å; G493-P523 WeakPolarHBondContact O-CG 3.39Å
494	E	96.8	Very high	94	Very high	31 Å²	31	24.5 Å²	24.5	15%	0.145	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	150.8	173.5	-60.2	-171.1	126.4	0	0	110.4	V490 L491 N492 F496 I520 Y521 N522 K529	V490-E494 WeakPolarHBondContact CA-O 3.34Å; L491-E494 PolarHBondContact N-O 3.09Å; L491-E494 PolarHBondContact O-N 3.21Å; N492-E494 VanDerWaalsContact C-N 3.32Å; N492-E494 PolarHBondContact O-N 3.4Å; E494-F496 HydrophobicContact CB-CE2 4.14Å; E494-I520 HydrophobicContact CB-CG2 3.81Å; E494-I520 HydrophobicContact CG-CG2 4.46Å; E494-Y521 WeakPolarHBondContact CA-O 3.46Å; E494-Y521 WeakPolarHBondContact CB-O 3.45Å; E494-N522 PolarHBondContact OE1-ND2 2.99Å; E494-K529 IonicContact OE1-NZ 3.61Å; E494-K529 PolarHBondContact OE1-NZ 2.59Å; E494-K529 IonicContact OE2-NZ 2.89Å; E494-K529 PolarHBondContact OE2-NZ 2.82Å
495	I	97.9	Very high	94.1	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	124.9	176.8	-54.9	174.2	0	0	0	109	V433 M435 Y440 L442 L489 V490 V497 I520 Y521	V433-I495 HydrophobicContact CG2-CD1 3.92Å; V433-I495 HydrophobicContact CG2-CG1 4.19Å; V433-I495 HydrophobicContact CG2-CG2 3.94Å; M435-I495 HydrophobicContact CE-CD1 3.83Å; M435-I495 HydrophobicContact CE-CG1 3.82Å; M435-I495 HydrophobicContact SD-CG1 4.02Å; Y440-I495 HydrophobicContact CD1-CD1 3.69Å; Y440-I495 HydrophobicContact CD2-CD1 4.01Å; Y440-I495 HydrophobicContact CE1-CD1 4.28Å; Y440-I495 HydrophobicContact CG-CD1 3.54Å; L442-I495 HydrophobicContact CD2-CG2 4.15Å; L489-I495 WeakPolarHBondContact O-CA 3.24Å; V490-I495 HydrophobicContact CG2-CG1 4.25Å; I495-V497 HydrophobicContact CG2-CG2 4.28Å; I495-I520 CarbonylContact O-C 3.53Å; I495-I520 WeakPolarHBondContact O-CA 3.25Å; I495-Y521 HydrophobicContact CD1-CD1 3.95Å; I495-Y521 HydrophobicContact CG1-CD1 4.33Å; I495-Y521 PolarHBondContact N-O 3.46Å; I495-Y521 PolarHBondContact O-N 3Å
496	F	97.2	Very high	94.2	Very high	13 Å²	13	26.8 Å²	26.8	6%	0.057	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	132.1	174.9	-72	-113.9	0	0	0	109.6	A488 L489 L491 E494 V518 E519 I520 I555	A488-F496 VanDerWaalsContact CA-O 3.3Å; A488-F496 WeakPolarHBondContact CA-O 3.44Å; L489-F496 HydrophobicContact CD1-CB 3.66Å; L489-F496 HydrophobicContact CD1-CD2 4.22Å; L489-F496 HydrophobicContact CD1-CG 4.09Å; L489-F496 HydrophobicContact CG-CB 4.17Å; L489-F496 PolarHBondContact N-O 2.9Å; L489-F496 PolarHBondContact O-N 2.84Å; L491-F496 HydrophobicContact CB-CD2 4.09Å; L491-F496 HydrophobicContact CB-CE2 3.83Å; L491-F496 HydrophobicContact CD2-CE2 4.3Å; L491-F496 HydrophobicContact CD2-CZ 4.3Å; L491-F496 HydrophobicContact CG-CE2 4.47Å; E494-F496 HydrophobicContact CB-CE2 4.14Å; F496-V518 HydrophobicContact CD1-CG1 4.12Å; F496-E519 CarbonylContact C-O 3.52Å; F496-E519 WeakPolarHBondContact CA-O 2.99Å; F496-I520 HydrophobicContact CD1-CD1 4.03Å; F496-I520 HydrophobicContact CD1-CG1 3.7Å; F496-I520 HydrophobicContact CD2-CG2 4.22Å; F496-I520 HydrophobicContact CE1-CD1 3.4Å; F496-I520 VanDerWaalsContact CE1-CD1 3.4Å; F496-I520 HydrophobicContact CE1-CG1 3.59Å; F496-I520 HydrophobicContact CE1-CG2 4.33Å; F496-I520 HydrophobicContact CE2-CG2 3.9Å; F496-I520 HydrophobicContact CG-CG1 4.28Å; F496-I520 HydrophobicContact CZ-CD1 3.81Å; F496-I520 HydrophobicContact CZ-CG1 4.08Å; F496-I520 HydrophobicContact CZ-CG2 3.96Å; F496-I555 HydrophobicContact CB-CD1 4.35Å; F496-I555 HydrophobicContact CD1-CD1 3.54Å; F496-I555 HydrophobicContact CD2-CD1 4.23Å; F496-I555 HydrophobicContact CE1-CD1 3.8Å; F496-I555 HydrophobicContact CE2-CD1 4.47Å; F496-I555 HydrophobicContact CG-CD1 3.78Å; F496-I555 HydrophobicContact CZ-CD1 4.27Å
497	V	96.4	Very high	94.2	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	113.7	175	-168.7	0	0	0	0	109.8	L442 M479 C486 S487 I495 V518 E519 W528	L442-V497 HydrophobicContact CD1-CG1 3.77Å; L442-V497 HydrophobicContact CD1-CG2 3.83Å; L442-V497 HydrophobicContact CD2-CG2 3.99Å; M479-V497 HydrophobicContact SD-CG1 4.19Å; M479-V497 HydrophobicContact SD-CG2 4.22Å; C486-V497 HydrophobicContact CB-CG1 3.88Å; S487-V497 CarbonylContact O-C 3.54Å; S487-V497 WeakPolarHBondContact O-CA 3.34Å; I495-V497 HydrophobicContact CG2-CG2 4.28Å; V497-V518 WeakPolarHBondContact O-CA 3.14Å; V497-E519 PolarHBondContact N-O 2.87Å; V497-E519 PolarHBondContact O-N 2.91Å; V497-W528 HydrophobicContact CB-CZ3 4.45Å; V497-W528 HydrophobicContact CG2-CH2 3.7Å; V497-W528 HydrophobicContact CG2-CZ3 3.79Å
498	I	95.2	Very high	93.9	Very high	3 Å²	3	35.9 Å²	35.9	2%	0.015	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	125.6	-164.8	-60.3	165.2	0	0	0	110.2	C486 S487 L489 V518 L534 I555 W584	C486-I498 WeakPolarHBondContact CA-O 3.33Å; S487-I498 PolarHBondContact N-O 3.1Å; S487-I498 PolarHBondContact O-N 3.46Å; L489-I498 HydrophobicContact CD2-CD1 4.01Å; I498-V518 HydrophobicContact CG1-CG1 4.09Å; I498-V518 HydrophobicContact CG1-CG2 4.21Å; I498-V518 HydrophobicContact CG2-CG2 4.25Å; I498-L534 HydrophobicContact CG2-CD1 3.46Å; I498-L534 VanDerWaalsContact CG2-CD1 3.46Å; I498-L534 HydrophobicContact CG2-CD2 3.77Å; I498-L534 HydrophobicContact CG2-CG 3.97Å; I498-I555 HydrophobicContact CD1-CG2 3.89Å; I498-W584 HydrophobicContact CD1-CH2 4.14Å; I498-W584 HydrophobicContact CD1-CZ2 4.39Å
499	G	92.9	Very high	93.3	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.01	20%	0.204	C	C	.	.			trans	64	-146	171.5	0	0	0	0	0	114	C486 L515 A517	C486-G499 WeakPolarHBondContact CB-O 3.48Å; G499-L515 WeakPolarHBondContact CA-O 3.43Å; G499-A517 PolarHBondContact N-O 2.9Å
500	G	91.4	Very high	92.8	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.217	C	C	.	.			trans	98.6	-173.3	-179.4	0	0	0	0	0	113.5	R485 C514 L515 Q538	R485-G500 WeakPolarHBondContact O-CA 3.41Å; G500-C514 WeakPolarHBondContact O-CA 3.25Å; G500-L515 PolarHBondContact O-N 2.84Å; G500-Q538 PolarHBondContact N-O 3.45Å
501	I	89.6	Confident	92.3	Very high	27 Å²	27	42.4 Å²	42.4	14%	0.138	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	129.5	177.1	-178.4	165.2	0	0	0	109.8	K483 Y484 R512 H513 L539	K483-I501 WeakPolarHBondContact CA-O 3.42Å; K483-I501 WeakPolarHBondContact CB-O 3.44Å; Y484-I501 HydrophobicContact CD1-CG2 3.85Å; Y484-I501 HydrophobicContact CE1-CG2 3.36Å; Y484-I501 HydrophobicContact CE2-CG2 4.18Å; Y484-I501 HydrophobicContact CG-CG2 4.46Å; Y484-I501 VanDerWaalsContact CZ-CG2 3.49Å; Y484-I501 PolarHBondContact N-O 3.21Å; Y484-I501 VanDerWaalsContact N-O 3.15Å; Y484-I501 PolarHBondContact O-N 3.31Å; I501-R512 HydrophobicContact CG1-CB 4.09Å; I501-H513 WeakPolarHBondContact CA-O 3.15Å; I501-L539 HydrophobicContact CB-CD2 3.72Å; I501-L539 HydrophobicContact CG2-CD2 3.98Å
502	G	92.3	Very high	91.9	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.5	-168.4	-172.1	0	0	0	0	0	113.9	S482 R512 H513	S482-G502 CarbonylContact O-C 3.57Å; S482-G502 WeakPolarHBondContact O-CA 3.38Å; G502-R512 CarbonylContact O-C 3.57Å; G502-R512 WeakPolarHBondContact O-CA 3.14Å; G502-H513 PolarHBondContact N-O 3.28Å; G502-H513 PolarHBondContact O-N 3.09Å
503	C	92.8	Very high	91.7	Very high	6 Å²	6	45 Å²	45	4%	0.041	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	157.7	176.9	55.1	0	0	0	0	109.6	Y481 S482 Q510	Y481-C503 CarbonylContact C-O 3.51Å; Y481-C503 WeakPolarHBondContact CA-O 3.49Å; S482-C503 PolarHBondContact N-O 2.91Å; S482-C503 PolarHBondContact O-N 2.78Å; C503-Q510 HydrophobicContact CB-CG 3.41Å; C503-Q510 VanDerWaalsContact CB-CG 3.41Å; C503-Q510 PolarHBondContact SG-NE2 3.29Å
504	E	94.3	Very high	91.5	Very high	122 Å²	122	44.5 Å²	44.5	57%	0.57	23%	0.231	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-74.1	141.4	176.9	-169.7	168.1	-165.1	0	0	110.8	K480 Y481 Q510	K480-E504 WeakPolarHBondContact CE-OE1 3.2Å; K480-E504 HydrophobicContact CG-CG 4.39Å; Y481-E504 HydrophobicContact CD1-CB 3.93Å; Y481-E504 HydrophobicContact CD1-CG 4.37Å; Y481-E504 HydrophobicContact CE1-CB 3.72Å; Y481-E504 HydrophobicContact CE1-CG 4.01Å; E504-Q510 PolarHBondContact O-NE2 3.45Å
505	G	92.6	Very high	91.3	Very high	28 Å²	28	44 Å²	44	29%	0.289	23%	0.229	S	C	.	.	B	Isolated β-bridge	trans	69	-164	-176.7	0	0	0	0	0	113.4	K480 S482 D507	K480-G505 WeakPolarHBondContact O-CA 3.43Å; K480-G505 PolarHBondContact O-N 2.82Å; S482-G505 WeakPolarHBondContact CB-O 3.26Å; S482-G505 PolarHBondContact N-O 2.67Å; S482-G505 PolarHBondContact OG-O 2.88Å; G505-D507 PolarHBondContact O-N 2.79Å
506	M	91.6	Very high	91.1	Very high	102 Å²	102	45.9 Å²	45.9	50%	0.502	24%	0.242	S	C	.	.	S	Bend	trans	-66.6	129.6	176.6	-173.6	-177.3	-171.2	0	0	110.3	R508 Q510	M506-R508 PolarHBondContact O-N 2.88Å; M506-Q510 PolarHBondContact O-NE2 2.81Å
507	D	90.8	Very high	90.9	Very high	2 Å²	2	46 Å²	46	1%	0.011	25%	0.246	C	C	.	.			trans	-67.2	117.1	176.1	-167.3	-7	0	0	0	111.4	R458 L459 S482 G505 G509 R512	R458-D507 HydrophobicContact CB-CB 4.44Å; R458-D507 WeakPolarHBondContact CD-O 3.24Å; L459-D507 HydrophobicContact CB-CB 4.16Å; L459-D507 WeakPolarHBondContact CB-OD2 2.92Å; L459-D507 WeakPolarHBondContact CG-OD2 3.23Å; L459-D507 PolarHBondContact N-OD2 2.83Å; L459-D507 WeakPolarHBondContact O-CB 2.9Å; S482-D507 PolarHBondContact OG-N 3.04Å; G505-D507 PolarHBondContact O-N 2.79Å; D507-G509 PolarHBondContact OD1-N 2.94Å; D507-R512 IonicContact OD2-CZ 3.57Å; D507-R512 IonicContact OD2-NE 3.56Å; D507-R512 IonicContact OD2-NH2 2.75Å; D507-R512 PolarHBondContact OD2-NH2 2.81Å
508	R	86.9	Confident	90.9	Very high	190 Å²	190	46.2 Å²	46.2	72%	0.717	25%	0.247	S	C	*	.	S	Bend	trans	-119.6	21.8	176.2	-61.3	179.7	-178	-176.1	1.3	111.2	M506	M506-R508 PolarHBondContact O-N 2.88Å
509	G	82.4	Confident	91	Very high	45 Å²	45	46.1 Å²	46.1	46%	0.464	25%	0.247	S	C	.	.	S	Bend	trans	91.4	15	-176.8	0	0	0	0	0	114	D507	D507-G509 PolarHBondContact OD1-N 2.94Å
510	Q	86	Confident	91.2	Very high	68 Å²	68	46.6 Å²	46.6	32%	0.318	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-70.8	161.4	176.3	62.4	-97.1	23.9	0	0	112.8	C503 E504 M506	C503-Q510 HydrophobicContact CB-CG 3.41Å; C503-Q510 VanDerWaalsContact CB-CG 3.41Å; C503-Q510 PolarHBondContact SG-NE2 3.29Å; E504-Q510 PolarHBondContact O-NE2 3.45Å; M506-Q510 PolarHBondContact O-NE2 2.81Å
511	S	86	Confident	91.6	Very high	91 Å²	91	46.8 Å²	46.8	64%	0.636	25%	0.249	S	C	*	.	P	Polyproline II helix	trans	-56.6	138	175.8	-62.4	0	0	0	0	112
512	R	89.1	Confident	91.9	Very high	68 Å²	68	46.6 Å²	46.6	26%	0.257	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-102.6	142.2	-179.8	-63.1	169	-179	166.2	5.7	110.2	D457 L459 I501 G502 D507	D457-R512 PolarHBondContact O-NH1 2.93Å; D457-R512 PolarHBondContact O-NH2 3.4Å; L459-R512 HydrophobicContact CD1-CG 4.2Å; I501-R512 HydrophobicContact CG1-CB 4.09Å; G502-R512 CarbonylContact O-C 3.57Å; G502-R512 WeakPolarHBondContact O-CA 3.14Å; D507-R512 IonicContact OD2-CZ 3.57Å; D507-R512 IonicContact OD2-NE 3.56Å; D507-R512 IonicContact OD2-NH2 2.75Å; D507-R512 PolarHBondContact OD2-NH2 2.81Å
513	H	89.3	Confident	92	Very high	119 Å²	119	47.8 Å²	47.8	55%	0.551	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.9	149.6	-179.5	-57.3	-72.5	0	0	0	110.3	I501 G502	I501-H513 WeakPolarHBondContact CA-O 3.15Å; G502-H513 PolarHBondContact N-O 3.28Å; G502-H513 PolarHBondContact O-N 3.09Å
514	C	90.4	Very high	92.1	Very high	19 Å²	19	53.6 Å²	53.6	13%	0.128	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	136.9	165.3	-71.4	0	0	0	0	109.1	G500 P537 G563 A564	G500-C514 WeakPolarHBondContact O-CA 3.25Å; C514-P537 HydrophobicContact CB-CB 3.9Å; C514-P537 WeakPolarHBondContact O-CB 3.33Å; C514-G563 PolarHBondContact SG-O 3Å; C514-G563 VanDerWaalsContact SG-O 3.37Å; C514-A564 WeakPolarHBondContact SG-CA 3.28Å; C514-A564 VanDerWaalsContact SG-CB 3.58Å; C514-A564 PolarHBondContact SG-N 2.87Å; C514-A564 VanDerWaalsContact SG-N 3.42Å
515	L	92.1	Very high	92.1	Very high	19 Å²	19	49.9 Å²	49.9	10%	0.099	28%	0.281	C	S	.	.			trans	-107.8	141.3	-173.6	-56.4	175.7	0	0	0	110.2	Y481 K483 G499 G500 A517 Q538	Y481-L515 HydrophobicContact CD1-CD1 3.97Å; Y481-L515 HydrophobicContact CD1-CD2 4.08Å; Y481-L515 HydrophobicContact CE1-CD2 4.19Å; Y481-L515 HydrophobicContact CG-CD1 3.92Å; K483-L515 HydrophobicContact CB-CD1 4.23Å; K483-L515 HydrophobicContact CD-CD1 3.85Å; G499-L515 WeakPolarHBondContact CA-O 3.43Å; G500-L515 PolarHBondContact O-N 2.84Å; L515-A517 HydrophobicContact CB-CB 4.37Å; L515-Q538 PolarHBondContact O-N 3.23Å
516	S	92.9	Very high	92.3	Very high	41 Å²	41	51.9 Å²	51.9	29%	0.287	29%	0.286	S	S	.	.			trans	-97.3	2	161.3	53.6	0	0	0	0	112	P533 L534	S516-P533 WeakPolarHBondContact O-CA 3.26Å; S516-L534 PolarHBondContact O-N 3.3Å
517	A	94.3	Very high	92.6	Very high	16 Å²	16	52.7 Å²	52.7	13%	0.132	28%	0.284	C	S	.	.			trans	-65	140.4	-175.8	0	0	0	0	0	111.9	Y481 G499 L515	Y481-A517 HydrophobicContact CD2-CB 4.24Å; Y481-A517 HydrophobicContact CE2-CB 3.84Å; G499-A517 PolarHBondContact N-O 2.9Å; L515-A517 HydrophobicContact CB-CB 4.37Å
518	V	96.3	Very high	92.9	Very high	3 Å²	3	54.7 Å²	54.7	2%	0.018	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	119.8	167.5	178.1	0	0	0	0	106.4	F496 V497 I498 I520 G531 P532 L534 W584	F496-V518 HydrophobicContact CD1-CG1 4.12Å; V497-V518 WeakPolarHBondContact O-CA 3.14Å; I498-V518 HydrophobicContact CG1-CG1 4.09Å; I498-V518 HydrophobicContact CG1-CG2 4.21Å; I498-V518 HydrophobicContact CG2-CG2 4.25Å; V518-I520 HydrophobicContact CG1-CG1 4.43Å; V518-G531 PolarHBondContact O-N 3.04Å; V518-P532 WeakPolarHBondContact CG2-O 3.41Å; V518-L534 HydrophobicContact CG2-CG 4.15Å; V518-W584 HydrophobicContact CG2-CZ2 4.19Å
519	E	97.3	Very high	93.4	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.009	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	132.9	178.5	-66	174.2	-101.3	0	0	108.8	K480 Y481 K483 F496 V497 W528	K480-E519 WeakPolarHBondContact CA-OE2 3.45Å; K480-E519 VanDerWaalsContact CB-OE2 3.28Å; K480-E519 WeakPolarHBondContact CB-OE2 3.34Å; K480-E519 PolarHBondContact N-OE2 3.25Å; Y481-E519 HydrophobicContact CD2-CG 4.41Å; Y481-E519 WeakPolarHBondContact CD2-OE1 3.23Å; K483-E519 WeakPolarHBondContact CE-OE1 3.38Å; K483-E519 IonicContact NZ-OE1 3.81Å; K483-E519 PolarHBondContact NZ-OE1 3.01Å; F496-E519 CarbonylContact C-O 3.52Å; F496-E519 WeakPolarHBondContact CA-O 2.99Å; V497-E519 PolarHBondContact N-O 2.87Å; V497-E519 PolarHBondContact O-N 2.91Å; E519-W528 HydrophobicContact CB-CE3 3.64Å; E519-W528 HydrophobicContact CB-CZ3 3.76Å
520	I	97.6	Very high	94	Very high	11 Å²	11	52.3 Å²	52.3	6%	0.056	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	119.3	-177.9	-49.2	171.3	0	0	0	108.5	E494 I495 F496 V518 W528 K529	E494-I520 HydrophobicContact CB-CG2 3.81Å; E494-I520 HydrophobicContact CG-CG2 4.46Å; I495-I520 CarbonylContact O-C 3.53Å; I495-I520 WeakPolarHBondContact O-CA 3.25Å; F496-I520 HydrophobicContact CD1-CD1 4.03Å; F496-I520 HydrophobicContact CD1-CG1 3.7Å; F496-I520 HydrophobicContact CD2-CG2 4.22Å; F496-I520 HydrophobicContact CE1-CD1 3.4Å; F496-I520 VanDerWaalsContact CE1-CD1 3.4Å; F496-I520 HydrophobicContact CE1-CG1 3.59Å; F496-I520 HydrophobicContact CE1-CG2 4.33Å; F496-I520 HydrophobicContact CE2-CG2 3.9Å; F496-I520 HydrophobicContact CG-CG1 4.28Å; F496-I520 HydrophobicContact CZ-CD1 3.81Å; F496-I520 HydrophobicContact CZ-CG1 4.08Å; F496-I520 HydrophobicContact CZ-CG2 3.96Å; V518-I520 HydrophobicContact CG1-CG1 4.43Å; I520-W528 CarbonylContact O-C 3.56Å; I520-W528 WeakPolarHBondContact O-CA 3.48Å; I520-K529 HydrophobicContact CB-CD 4.45Å; I520-K529 HydrophobicContact CB-CG 3.79Å; I520-K529 HydrophobicContact CD1-CG 4.48Å; I520-K529 HydrophobicContact CG2-CG 4.42Å; I520-K529 PolarHBondContact N-O 3.43Å; I520-K529 PolarHBondContact O-N 2.75Å
521	Y	98.3	Very high	94.4	Very high	3 Å²	3	49.9 Å²	49.9	1%	0.012	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	128.8	177	176.3	-108.4	0	0	0	110.9	Y440 L463 L476 A477 E494 I495 P523 D526 Y527 W528	Y440-Y521 HydrophobicContact CE1-CE1 4.39Å; L463-Y521 HydrophobicContact CD2-CD1 3.6Å; L463-Y521 HydrophobicContact CD2-CD2 3.73Å; L463-Y521 HydrophobicContact CD2-CE1 3.49Å; L463-Y521 VanDerWaalsContact CD2-CE1 3.49Å; L463-Y521 HydrophobicContact CD2-CE2 3.63Å; L463-Y521 HydrophobicContact CD2-CG 3.72Å; L476-Y521 HydrophobicContact CD1-CE1 4.23Å; L476-Y521 WeakPolarHBondContact CD1-OH 3.45Å; A477-Y521 HydrophobicContact CB-CE2 4.44Å; E494-Y521 WeakPolarHBondContact CA-O 3.46Å; E494-Y521 WeakPolarHBondContact CB-O 3.45Å; I495-Y521 HydrophobicContact CD1-CD1 3.95Å; I495-Y521 HydrophobicContact CG1-CD1 4.33Å; I495-Y521 PolarHBondContact N-O 3.46Å; I495-Y521 PolarHBondContact O-N 3Å; Y521-P523 HydrophobicContact CD1-CB 4.47Å; Y521-P523 HydrophobicContact CE1-CB 3.84Å; Y521-D526 WeakPolarHBondContact CE2-OD1 3.25Å; Y521-D526 PolarHBondContact OH-OD1 3.11Å; Y521-Y527 WeakPolarHBondContact CD2-O 3.47Å; Y521-W528 AromaticContact CD2-CD1 3.93Å; Y521-W528 HydrophobicContact CD2-CD2 4.01Å; Y521-W528 AromaticContact CD2-CE2 3.62Å; Y521-W528 HydrophobicContact CD2-CG 4.22Å; Y521-W528 HydrophobicContact CD2-CZ2 4.05Å; Y521-W528 AromaticContact CD2-NE1 3.53Å; Y521-W528 HydrophobicContact CG-CD2 4.35Å; Y521-W528 HydrophobicContact CG-CH2 4.39Å; Y521-W528 HydrophobicContact CG-CZ2 4.05Å
522	N	96.8	Very high	94.9	Very high	24 Å²	24	46 Å²	46	13%	0.128	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	113.4	171.7	-172	-68.2	0	0	0	109.6	E494 D524 G525 D526 Y527	E494-N522 PolarHBondContact OE1-ND2 2.99Å; N522-D524 VanDerWaalsContact C-N 3.33Å; N522-D524 PolarHBondContact O-N 3.16Å; N522-D524 WeakPolarHBondContact OD1-CB 3.47Å; N522-D524 PolarHBondContact OD1-N 2.99Å; N522-G525 PolarHBondContact OD1-N 3.43Å; N522-D526 WeakPolarHBondContact O-CA 3.29Å; N522-D526 PolarHBondContact O-N 2.96Å; N522-Y527 HydrophobicContact CB-CD1 4.34Å; N522-Y527 HydrophobicContact CB-CE1 3.91Å; N522-Y527 HydrophobicContact CB-CE2 4.22Å; N522-Y527 PolarHBondContact N-O 2.78Å; N522-Y527 PolarHBondContact O-N 2.95Å
523	P	94.9	Very high	95.1	Very high	25 Å²	25	47.1 Å²	47.1	16%	0.162	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-22.9	-178.4	30.5	-37.8	0	0	0	114	M435 G493 Y521	M435-P523 HydrophobicContact CE-CB 3.61Å; M435-P523 HydrophobicContact CE-CG 3.53Å; M435-P523 HydrophobicContact SD-CG 4.11Å; G493-P523 VanDerWaalsContact O-CD 3.27Å; G493-P523 WeakPolarHBondContact O-CD 3.13Å; G493-P523 VanDerWaalsContact O-CG 3.26Å; G493-P523 WeakPolarHBondContact O-CG 3.39Å; Y521-P523 HydrophobicContact CD1-CB 4.47Å; Y521-P523 HydrophobicContact CE1-CB 3.84Å
524	D	93.9	Very high	95.2	Very high	127 Å²	127	41.8 Å²	41.8	68%	0.679	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-29.8	-176.5	-60.6	-33	0	0	0	111.6	K436 N522	K436-D524 IonicContact NZ-OD1 2.81Å; K436-D524 PolarHBondContact NZ-OD1 3.3Å; K436-D524 IonicContact NZ-OD2 3.17Å; N522-D524 VanDerWaalsContact C-N 3.33Å; N522-D524 PolarHBondContact O-N 3.16Å; N522-D524 WeakPolarHBondContact OD1-CB 3.47Å; N522-D524 PolarHBondContact OD1-N 2.99Å
525	G	94.8	Very high	95.2	Very high	44 Å²	44	45.1 Å²	45.1	45%	0.454	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	-3.3	176.9	0	0	0	0	0	115.5	N522 Y527	N522-G525 PolarHBondContact OD1-N 3.43Å; G525-Y527 PolarHBondContact O-N 2.91Å
526	D	97.2	Very high	94.8	Very high	71 Å²	71	45.8 Å²	45.8	38%	0.38	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.9	54.7	-174.6	-171.5	27.3	0	0	0	112.9	A477 Y521 N522	A477-D526 VanDerWaalsContact CB-O 3.31Å; A477-D526 WeakPolarHBondContact CB-O 3.39Å; A477-D526 WeakPolarHBondContact CB-OD1 3.47Å; A477-D526 PolarHBondContact N-OD1 2.78Å; Y521-D526 WeakPolarHBondContact CE2-OD1 3.25Å; Y521-D526 PolarHBondContact OH-OD1 3.11Å; N522-D526 WeakPolarHBondContact O-CA 3.29Å; N522-D526 PolarHBondContact O-N 2.96Å
527	Y	97.3	Very high	94.5	Very high	118 Å²	118	46.6 Å²	46.6	46%	0.463	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	157.6	178.1	71.3	-92.8	0	0	0	112.8	Y521 N522 G525	Y521-Y527 WeakPolarHBondContact CD2-O 3.47Å; N522-Y527 HydrophobicContact CB-CD1 4.34Å; N522-Y527 HydrophobicContact CB-CE1 3.91Å; N522-Y527 HydrophobicContact CB-CE2 4.22Å; N522-Y527 PolarHBondContact N-O 2.78Å; N522-Y527 PolarHBondContact O-N 2.95Å; G525-Y527 PolarHBondContact O-N 2.91Å
528	W	98	Very high	94	Very high	44 Å²	44	46 Å²	46	17%	0.167	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	143.7	175.1	-67.5	87.3	0	0	0	111.1	L463 A477 P478 M479 V497 E519 I520 Y521	L463-W528 HydrophobicContact CB-CZ2 4.31Å; L463-W528 HydrophobicContact CD2-CZ2 3.86Å; L463-W528 HydrophobicContact CG-CZ2 4.46Å; A477-W528 PolarHBondContact O-NE1 3.4Å; P478-W528 PolarHBondContact O-NE1 3.33Å; M479-W528 HydrophobicContact CB-CZ2 4.4Å; M479-W528 HydrophobicContact CG-CD2 4.41Å; M479-W528 HydrophobicContact CG-CH2 3.47Å; M479-W528 VanDerWaalsContact CG-CH2 3.47Å; M479-W528 HydrophobicContact CG-CZ2 3.29Å; M479-W528 HydrophobicContact CG-CZ3 4.11Å; M479-W528 HydrophobicContact SD-CH2 4.05Å; M479-W528 HydrophobicContact SD-CZ2 4.36Å; V497-W528 HydrophobicContact CB-CZ3 4.45Å; V497-W528 HydrophobicContact CG2-CH2 3.7Å; V497-W528 HydrophobicContact CG2-CZ3 3.79Å; E519-W528 HydrophobicContact CB-CE3 3.64Å; E519-W528 HydrophobicContact CB-CZ3 3.76Å; I520-W528 CarbonylContact O-C 3.56Å; I520-W528 WeakPolarHBondContact O-CA 3.48Å; Y521-W528 AromaticContact CD2-CD1 3.93Å; Y521-W528 HydrophobicContact CD2-CD2 4.01Å; Y521-W528 AromaticContact CD2-CE2 3.62Å; Y521-W528 HydrophobicContact CD2-CG 4.22Å; Y521-W528 HydrophobicContact CD2-CZ2 4.05Å; Y521-W528 AromaticContact CD2-NE1 3.53Å; Y521-W528 HydrophobicContact CG-CD2 4.35Å; Y521-W528 HydrophobicContact CG-CH2 4.39Å; Y521-W528 HydrophobicContact CG-CZ2 4.05Å
529	K	96.5	Very high	93.3	Very high	79 Å²	79	46.7 Å²	46.7	34%	0.343	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	149.1	169.5	66.7	-172.2	-178.4	-162.5	0	110	E494 I520	E494-K529 IonicContact OE1-NZ 3.61Å; E494-K529 PolarHBondContact OE1-NZ 2.59Å; E494-K529 IonicContact OE2-NZ 2.89Å; E494-K529 PolarHBondContact OE2-NZ 2.82Å; I520-K529 HydrophobicContact CB-CD 4.45Å; I520-K529 HydrophobicContact CB-CG 3.79Å; I520-K529 HydrophobicContact CD1-CG 4.48Å; I520-K529 HydrophobicContact CG2-CG 4.42Å; I520-K529 PolarHBondContact N-O 3.43Å; I520-K529 PolarHBondContact O-N 2.75Å
530	D	96.1	Very high	92.3	Very high	107 Å²	107	46.7 Å²	46.7	57%	0.572	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.5	130.9	174.1	-71.8	-38.9	0	0	0	109.6	K480	K480-D530 IonicContact NZ-OD1 2.96Å; K480-D530 IonicContact NZ-OD2 3.26Å; K480-D530 PolarHBondContact NZ-OD2 2.93Å
531	G	94.4	Very high	91.1	Very high	16 Å²	16	46.2 Å²	46.2	17%	0.165	26%	0.263	C	S	.	.			trans	-94	-178.8	172.4	0	0	0	0	0	112.7	V518	V518-G531 PolarHBondContact O-N 3.04Å
532	P	94.6	Very high	89.7	Confident	11 Å²	11	50.9 Å²	50.9	7%	0.071	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-68.2	121.8	178.7	28.8	-32.4	0	0	0	109.8	V518 L577 N582 W584	V518-P532 WeakPolarHBondContact CG2-O 3.41Å; P532-L577 HydrophobicContact CB-CD1 4.42Å; P532-L577 HydrophobicContact CG-CD1 3.51Å; P532-L577 HydrophobicContact CG-CD2 3.71Å; P532-L577 HydrophobicContact CG-CG 4.28Å; P532-N582 WeakPolarHBondContact CB-O 3.3Å; P532-N582 WeakPolarHBondContact CB-OD1 3.48Å; P532-N582 WeakPolarHBondContact CD-OD1 3.22Å; P532-N582 WeakPolarHBondContact CG-OD1 3.4Å; P532-W584 PolarHBondContact O-NE1 2.79Å
533	P	93.7	Very high	88.5	Confident	90 Å²	90	50.2 Å²	50.2	58%	0.584	28%	0.277	S	S	*	.	P	Polyproline II helix	trans	-66.9	149.2	-175.2	28.3	-35.2	0	0	0	111.2	S516	S516-P533 WeakPolarHBondContact O-CA 3.26Å
534	L	92.3	Very high	87.3	Confident	8 Å²	8	49.5 Å²	49.5	4%	0.042	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-63.7	150.2	176	-65.2	161.5	0	0	0	110.9	I498 S516 V518 C536 Q538 W584	I498-L534 HydrophobicContact CG2-CD1 3.46Å; I498-L534 VanDerWaalsContact CG2-CD1 3.46Å; I498-L534 HydrophobicContact CG2-CD2 3.77Å; I498-L534 HydrophobicContact CG2-CG 3.97Å; S516-L534 PolarHBondContact O-N 3.3Å; V518-L534 HydrophobicContact CG2-CG 4.15Å; L534-C536 PolarHBondContact O-N 2.85Å; L534-C536 VanDerWaalsContact O-N 3.11Å; L534-Q538 HydrophobicContact CD1-CG 3.58Å; L534-Q538 VanDerWaalsContact CD1-NE2 3.29Å; L534-W584 HydrophobicContact CD2-CD2 3.9Å; L534-W584 VanDerWaalsContact CD2-CE2 3.45Å; L534-W584 HydrophobicContact CD2-CE3 4.32Å; L534-W584 HydrophobicContact CD2-CH2 3.89Å; L534-W584 HydrophobicContact CD2-CZ2 3.45Å; L534-W584 VanDerWaalsContact CD2-CZ2 3.45Å; L534-W584 HydrophobicContact CD2-CZ3 4.31Å
535	P	89.3	Confident	86.5	Confident	89 Å²	89	44.2 Å²	44.2	58%	0.578	25%	0.246	S	C	*	.	S	Bend	trans	-58.3	-28.1	179.4	-25.1	33.9	0	0	0	114.1	W584	P535-W584 HydrophobicContact CG-CB 3.88Å
536	C	85.3	Confident	86	Confident	32 Å²	32	43.2 Å²	43.2	22%	0.216	23%	0.233	C	C	.	.	S	Bend	trans	-148	155.2	172.7	61.5	0	0	0	0	110.5	L534 Q538	L534-C536 PolarHBondContact O-N 2.85Å; L534-C536 VanDerWaalsContact O-N 3.11Å; C536-Q538 PolarHBondContact O-N 2.74Å
537	P	85.3	Confident	85.7	Confident	58 Å²	58	40 Å²	40	38%	0.377	22%	0.215	S	C	.	.			trans	-60.3	130	173.4	-22	33.3	0	0	0	111.2	C514 G563	C514-P537 HydrophobicContact CB-CB 3.9Å; C514-P537 WeakPolarHBondContact O-CB 3.33Å; P537-G563 PolarHBondContact O-N 3.05Å
538	Q	84.8	Confident	85.5	Confident	4 Å²	4	34.7 Å²	34.7	2%	0.019	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	154	-172.4	76	-171.9	-97.9	0	0	114	G500 L515 L534 C536 Y560 Y561	G500-Q538 PolarHBondContact N-O 3.45Å; L515-Q538 PolarHBondContact O-N 3.23Å; L534-Q538 HydrophobicContact CD1-CG 3.58Å; L534-Q538 VanDerWaalsContact CD1-NE2 3.29Å; C536-Q538 PolarHBondContact O-N 2.74Å; Q538-Y560 HydrophobicContact CB-CD2 3.75Å; Q538-Y560 HydrophobicContact CB-CG 4.16Å; Q538-Y560 VanDerWaalsContact OE1-CB 3.31Å; Q538-Y561 VanDerWaalsContact CA-O 3.23Å; Q538-Y561 WeakPolarHBondContact CA-O 3.22Å
539	L	81.3	Confident	85.4	Confident	17 Å²	17	32.8 Å²	32.8	9%	0.089	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	145	170.9	-55.2	172.3	0	0	0	109.8	I501 Y561	I501-L539 HydrophobicContact CB-CD2 3.72Å; I501-L539 HydrophobicContact CG2-CD2 3.98Å; L539-Y561 PolarHBondContact N-O 3.23Å; L539-Y561 VanDerWaalsContact N-O 3.09Å; L539-Y561 PolarHBondContact O-N 3.29Å
540	S	75.1	Confident	85.4	Confident	3 Å²	3	30.9 Å²	30.9	2%	0.021	19%	0.185	C	C	.	.			trans	-65.9	-72.4	-176.2	-42.9	0	0	0	0	111.3	R485 C486 S487 N547	R485-S540 WeakPolarHBondContact O-CB 3.15Å; R485-S540 PolarHBondContact O-N 3.15Å; R485-S540 PolarHBondContact O-OG 3.17Å; C486-S540 WeakPolarHBondContact CA-OG 3.41Å; S487-S540 PolarHBondContact N-OG 2.56Å; S487-S540 PolarHBondContact OG-OG 3.01Å; S540-N547 PolarHBondContact O-ND2 2.76Å
541	L	73.8	Confident	85.4	Confident	1 Å²	1	26.2 Å²	26.2	1%	0.005	16%	0.16	C	C	.	.			trans	-144.9	178.5	178.6	-61.2	172.6	0	0	0	110.6	T543 A545 N547 Y597 D598	L541-T543 VanDerWaalsContact C-N 3.28Å; L541-T543 CarbonylContact C-O 3.56Å; L541-T543 VanDerWaalsContact O-O 3.1Å; L541-A545 HydrophobicContact CD1-CB 4.47Å; L541-N547 HydrophobicContact CD1-CB 4.33Å; L541-N547 HydrophobicContact CD2-CB 3.99Å; L541-N547 HydrophobicContact CG-CB 3.94Å; L541-Y597 HydrophobicContact CD1-CD2 3.93Å; L541-Y597 HydrophobicContact CD1-CE2 3.52Å; L541-Y597 HydrophobicContact CD2-CD1 4.19Å; L541-Y597 HydrophobicContact CD2-CD2 4.14Å; L541-Y597 HydrophobicContact CD2-CE1 3.74Å; L541-Y597 HydrophobicContact CD2-CE2 3.68Å; L541-Y597 HydrophobicContact CD2-CG 4.37Å; L541-Y597 VanDerWaalsContact CD2-CZ 3.47Å; L541-Y597 HydrophobicContact CG-CE2 4.23Å; L541-D598 VanDerWaalsContact CD1-C 3.42Å; L541-D598 VanDerWaalsContact CD1-O 3.25Å; L541-D598 WeakPolarHBondContact CD1-O 3.22Å
542	R	69.3	Low	85.3	Confident	100 Å²	100	29 Å²	29	38%	0.377	19%	0.189	S	C	.	.	S	Bend	trans	-63.6	-37.6	170	-177.7	178.7	-75.2	-148.8	-3.9	111.1	R485 D568	R485-R542 PolarHBondContact NE-O 3.13Å; R485-R542 PolarHBondContact NH2-O 3.42Å; R542-D568 IonicContact CZ-OD1 2.76Å; R542-D568 IonicContact NH2-OD1 2.9Å; R542-D568 PolarHBondContact NH2-OD1 2.93Å; R542-D568 IonicContact NH2-OD2 2.85Å; R542-D568 PolarHBondContact NH2-OD2 3.37Å
543	T	70.3	Confident	85.2	Confident	10 Å²	10	30 Å²	30	6%	0.061	20%	0.202	C	C	.	.	S	Bend	trans	-77.1	175.6	170.7	63.8	0	0	0	0	111	Y323 L541 A545 D598	Y323-T543 HydrophobicContact CE1-CG2 3.84Å; Y323-T543 WeakPolarHBondContact OH-CG2 3.28Å; L541-T543 VanDerWaalsContact C-N 3.28Å; L541-T543 CarbonylContact C-O 3.56Å; L541-T543 VanDerWaalsContact O-O 3.1Å; T543-A545 WeakPolarHBondContact OG1-CB 3.48Å; T543-A545 PolarHBondContact OG1-N 3.08Å; T543-D598 HydrophobicContact CG2-CB 4.16Å; T543-D598 PolarHBondContact OG1-O 3.42Å
544	N	69.3	Low	85.3	Confident	11 Å²	11	28.2 Å²	28.2	6%	0.059	19%	0.185	C	C	.	.	S	Bend	trans	-82.9	3.5	169.8	54.1	-56.3	0	0	0	114.1	Y379 Y429 H430	Y379-N544 PolarHBondContact O-ND2 3.09Å; Y429-N544 VanDerWaalsContact CA-CB 3.42Å; Y429-N544 HydrophobicContact CD1-CB 3.99Å; Y429-N544 HydrophobicContact CG-CB 4.4Å; H430-N544 PolarHBondContact O-ND2 3.5Å; H430-N544 VanDerWaalsContact O-ND2 3.16Å
545	A	77.4	Confident	85.6	Confident	16 Å²	16	27.9 Å²	27.9	13%	0.132	18%	0.183	C	C	.	.	S	Bend	trans	-72.3	161	179.8	0	0	0	0	0	111.9	L541 T543 D598 V599	L541-A545 HydrophobicContact CD1-CB 4.47Å; T543-A545 WeakPolarHBondContact OG1-CB 3.48Å; T543-A545 PolarHBondContact OG1-N 3.08Å; A545-D598 WeakPolarHBondContact CB-O 3.37Å; A545-V599 HydrophobicContact CB-CB 4.21Å; A545-V599 HydrophobicContact CB-CG1 3.64Å
546	S	84.6	Confident	85.9	Confident	23 Å²	23	24.2 Å²	24.2	16%	0.161	16%	0.158	C	C	.	.			trans	-77.5	140.2	175.3	-170.4	0	0	0	0	111.1	S487 A548 C600	S487-S546 WeakPolarHBondContact CB-OG 3.33Å; S487-S546 WeakPolarHBondContact OG-CA 3.36Å; S487-S546 PolarHBondContact OG-OG 2.72Å; S546-A548 VanDerWaalsContact C-N 3.35Å; S546-A548 PolarHBondContact OG-N 2.9Å; S546-A548 VanDerWaalsContact OG-N 3.15Å; S546-A548 PolarHBondContact OG-O 2.85Å; S546-C600 WeakPolarHBondContact O-CB 3.39Å; S546-C600 PolarHBondContact O-N 2.87Å
547	N	90.8	Very high	86.4	Confident	2 Å²	2	22.7 Å²	22.7	1%	0.011	15%	0.147	C	C	.	.	S	Bend	trans	-94.6	12.2	166.9	67.5	-17.1	0	0	0	112.6	S487 S540 L541 V557 C558 G559 Y597 C600	S487-N547 PolarHBondContact OG-N 2.9Å; S487-N547 PolarHBondContact OG-OD1 2.67Å; S540-N547 PolarHBondContact O-ND2 2.76Å; L541-N547 HydrophobicContact CD1-CB 4.33Å; L541-N547 HydrophobicContact CD2-CB 3.99Å; L541-N547 HydrophobicContact CG-CB 3.94Å; N547-V557 VanDerWaalsContact ND2-CG1 3.28Å; N547-V557 WeakPolarHBondContact ND2-CG1 3.35Å; N547-C558 PolarHBondContact O-N 3.34Å; N547-G559 PolarHBondContact ND2-O 2.82Å; N547-Y597 WeakPolarHBondContact CA-OH 3.46Å; N547-Y597 WeakPolarHBondContact CB-OH 3.49Å; N547-C600 VanDerWaalsContact C-CB 3.4Å
548	A	94	Very high	86.8	Confident	7 Å²	7	20 Å²	20	6%	0.058	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	155.4	-168.8	0	0	0	0	0	112.4	L489 S546 Y556 V557	L489-A548 HydrophobicContact CD2-CB 3.71Å; S546-A548 VanDerWaalsContact C-N 3.35Å; S546-A548 PolarHBondContact OG-N 2.9Å; S546-A548 VanDerWaalsContact OG-N 3.15Å; S546-A548 PolarHBondContact OG-O 2.85Å; A548-Y556 CarbonylContact C-O 3.54Å; A548-Y556 WeakPolarHBondContact CA-O 3.03Å; A548-Y556 VanDerWaalsContact CB-O 3.28Å; A548-Y556 WeakPolarHBondContact CB-O 3.44Å; A548-V557 HydrophobicContact CB-CG2 4.02Å
549	G	95.7	Very high	86.9	Confident	5 Å²	5	19.8 Å²	19.8	5%	0.052	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	163.2	179.2	0	0	0	0	0	112.8	Y556	G549-Y556 PolarHBondContact N-O 3.47Å; G549-Y556 PolarHBondContact O-N 2.9Å
550	V	96.8	Very high	87.1	Confident	38 Å²	38	19.3 Å²	19.3	23%	0.23	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	124.2	179.5	176	0	0	0	0	110.1	L489 L491 K554 I555	L489-V550 HydrophobicContact CB-CG2 4.35Å; L489-V550 HydrophobicContact CD1-CG2 3.63Å; L489-V550 HydrophobicContact CD2-CG2 4.39Å; L489-V550 HydrophobicContact CG-CG2 4.34Å; L491-V550 HydrophobicContact CB-CG2 4.26Å; L491-V550 HydrophobicContact CD1-CG1 3.61Å; V550-K554 VanDerWaalsContact CA-O 3.31Å; V550-K554 WeakPolarHBondContact CA-O 3.13Å; V550-I555 HydrophobicContact CG2-CG1 4.11Å
551	V	95.5	Very high	87.4	Confident	10 Å²	10	20.1 Å²	20.1	6%	0.061	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	132.8	175.9	178.1	0	0	0	0	108.8	D276 L278 P304 G553 K554 Y556 V602	D276-V551 HydrophobicContact CB-CG1 3.84Å; D276-V551 HydrophobicContact CB-CG2 4.38Å; L278-V551 HydrophobicContact CD2-CG2 4.35Å; L278-V551 HydrophobicContact CG-CG2 4.13Å; P304-V551 HydrophobicContact CB-CG1 4.24Å; P304-V551 HydrophobicContact CG-CB 3.95Å; P304-V551 HydrophobicContact CG-CG1 3.94Å; P304-V551 HydrophobicContact CG-CG2 4.14Å; V551-G553 PolarHBondContact O-N 3.18Å; V551-G553 VanDerWaalsContact O-N 3.14Å; V551-K554 PolarHBondContact N-O 3.23Å; V551-K554 PolarHBondContact O-N 3.42Å; V551-Y556 HydrophobicContact CB-CD2 4.15Å; V551-Y556 HydrophobicContact CB-CE2 3.96Å; V551-V602 HydrophobicContact CG2-CG1 3.9Å; V551-V602 HydrophobicContact CG2-CG2 4.33Å
552	G	91.4	Very high	87.6	Confident	74 Å²	74	25.8 Å²	25.8	76%	0.763	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.5	30.5	176.3	0	0	0	0	0	114.7	K554	G552-K554 VanDerWaalsContact C-N 3.29Å; G552-K554 PolarHBondContact O-N 3Å
553	G	93.7	Very high	87.5	Confident	33 Å²	33	22.5 Å²	22.5	34%	0.34	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.3	9.1	-178.6	0	0	0	0	0	115.1	V551 P579	V551-G553 PolarHBondContact O-N 3.18Å; V551-G553 VanDerWaalsContact O-N 3.14Å; G553-P579 WeakPolarHBondContact O-CD 3.35Å; G553-P579 WeakPolarHBondContact O-CG 3.48Å
554	K	96.2	Very high	87	Confident	52 Å²	52	25 Å²	25	23%	0.226	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	156.2	176.7	-57.1	-168.6	-173.3	-153.6	0	111.2	V550 V551 G552 Y556 E576 D578	V550-K554 VanDerWaalsContact CA-O 3.31Å; V550-K554 WeakPolarHBondContact CA-O 3.13Å; V551-K554 PolarHBondContact N-O 3.23Å; V551-K554 PolarHBondContact O-N 3.42Å; G552-K554 VanDerWaalsContact C-N 3.29Å; G552-K554 PolarHBondContact O-N 3Å; K554-Y556 HydrophobicContact CB-CE2 3.81Å; K554-E576 HydrophobicContact CB-CG 4.35Å; K554-E576 VanDerWaalsContact CD-CD 3.42Å; K554-E576 HydrophobicContact CD-CG 3.93Å; K554-E576 VanDerWaalsContact CD-OE1 3.3Å; K554-E576 WeakPolarHBondContact CD-OE1 3.45Å; K554-E576 IonicContact NZ-OE1 3.32Å; K554-E576 PolarHBondContact NZ-OE1 2.94Å; K554-D578 HydrophobicContact CD-CB 4.22Å; K554-D578 WeakPolarHBondContact CE-OD2 3.24Å; K554-D578 IonicContact NZ-OD2 2.7Å; K554-D578 PolarHBondContact NZ-OD2 2.76Å
555	I	97.2	Very high	86.4	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	135.9	176.5	-69	160.6	0	0	0	109.2	L489 L491 F496 I498 V550 E576 L577 W584	L489-I555 HydrophobicContact CD1-CD1 3.66Å; L489-I555 HydrophobicContact CD1-CG1 3.64Å; L489-I555 HydrophobicContact CD2-CG1 4.22Å; L489-I555 HydrophobicContact CD2-CG2 3.68Å; L491-I555 HydrophobicContact CD2-CD1 3.8Å; L491-I555 HydrophobicContact CD2-CG1 3.89Å; F496-I555 HydrophobicContact CB-CD1 4.35Å; F496-I555 HydrophobicContact CD1-CD1 3.54Å; F496-I555 HydrophobicContact CD2-CD1 4.23Å; F496-I555 HydrophobicContact CE1-CD1 3.8Å; F496-I555 HydrophobicContact CE2-CD1 4.47Å; F496-I555 HydrophobicContact CG-CD1 3.78Å; F496-I555 HydrophobicContact CZ-CD1 4.27Å; I498-I555 HydrophobicContact CD1-CG2 3.89Å; V550-I555 HydrophobicContact CG2-CG1 4.11Å; I555-E576 CarbonylContact O-C 3.54Å; I555-E576 WeakPolarHBondContact O-CA 3.47Å; I555-L577 HydrophobicContact CB-CB 4.19Å; I555-L577 HydrophobicContact CD1-CD2 4.13Å; I555-L577 PolarHBondContact N-O 3.09Å; I555-L577 PolarHBondContact O-N 3.03Å; I555-W584 HydrophobicContact CG2-CH2 3.91Å; I555-W584 HydrophobicContact CG2-CZ3 4.41Å
556	Y	96.9	Very high	85.1	Confident	13 Å²	13	40.8 Å²	40.8	5%	0.051	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	139.8	174.4	-64.1	-87.9	0	0	0	110.7	L278 P304 A548 G549 V551 K554 I574 L575 E576 V587	L278-Y556 HydrophobicContact CD1-CD1 4.3Å; L278-Y556 HydrophobicContact CD1-CD2 4.03Å; L278-Y556 HydrophobicContact CD1-CG 3.63Å; P304-Y556 HydrophobicContact CB-CD1 4.48Å; P304-Y556 HydrophobicContact CB-CD2 4.42Å; P304-Y556 HydrophobicContact CB-CE1 3.83Å; P304-Y556 HydrophobicContact CB-CE2 3.74Å; P304-Y556 VanDerWaalsContact CB-CZ 3.43Å; P304-Y556 HydrophobicContact CG-CD1 4.42Å; P304-Y556 HydrophobicContact CG-CD2 4.08Å; P304-Y556 HydrophobicContact CG-CE1 4.23Å; P304-Y556 HydrophobicContact CG-CE2 3.87Å; P304-Y556 HydrophobicContact CG-CG 4.36Å; A548-Y556 CarbonylContact C-O 3.54Å; A548-Y556 WeakPolarHBondContact CA-O 3.03Å; A548-Y556 VanDerWaalsContact CB-O 3.28Å; A548-Y556 WeakPolarHBondContact CB-O 3.44Å; G549-Y556 PolarHBondContact N-O 3.47Å; G549-Y556 PolarHBondContact O-N 2.9Å; V551-Y556 HydrophobicContact CB-CD2 4.15Å; V551-Y556 HydrophobicContact CB-CE2 3.96Å; K554-Y556 HydrophobicContact CB-CE2 3.81Å; Y556-I574 HydrophobicContact CD1-CG2 4.27Å; Y556-L575 CarbonylContact C-O 3.49Å; Y556-L575 WeakPolarHBondContact CA-O 3.41Å; Y556-E576 HydrophobicContact CD1-CB 3.95Å; Y556-E576 HydrophobicContact CD1-CG 4.21Å; Y556-E576 HydrophobicContact CE1-CB 3.67Å; Y556-E576 HydrophobicContact CE1-CG 3.58Å; Y556-E576 WeakPolarHBondContact CE1-OE2 3.47Å; Y556-E576 VanDerWaalsContact CZ-OE2 3.22Å; Y556-E576 PolarHBondContact OH-OE2 3.15Å; Y556-V587 HydrophobicContact CD1-CG2 4.34Å; Y556-V587 HydrophobicContact CE1-CG2 4.32Å
557	V	94.8	Very high	83.5	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	116.7	172.7	-178.4	0	0	0	0	108.3	N547 A548 G559 I574 L575 W584	N547-V557 VanDerWaalsContact ND2-CG1 3.28Å; N547-V557 WeakPolarHBondContact ND2-CG1 3.35Å; A548-V557 HydrophobicContact CB-CG2 4.02Å; V557-G559 PolarHBondContact O-N 3.36Å; V557-I574 WeakPolarHBondContact O-CA 3.44Å; V557-L575 HydrophobicContact CB-CB 4.21Å; V557-L575 PolarHBondContact N-O 3.22Å; V557-L575 PolarHBondContact O-N 3.31Å; V557-W584 HydrophobicContact CG2-CH2 3.68Å; V557-W584 HydrophobicContact CG2-CZ3 3.69Å
558	C	93.1	Very high	82.1	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	81.9	-171.5	-71.4	0	0	0	0	111.5	C280 N547 Y597	C280-C558 WeakPolarHBondContact SG-CB 3.4Å; N547-C558 PolarHBondContact O-N 3.34Å; C558-Y597 VanDerWaalsContact O-CE1 3.23Å; C558-Y597 WeakPolarHBondContact O-CE1 3.5Å; C558-Y597 VanDerWaalsContact O-CZ 3.24Å; C558-Y597 PolarHBondContact O-OH 3.21Å
559	G	87.9	Confident	80.9	Confident	0 Å²	0	57 Å²	57	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	70.4	150.4	-179.6	0	0	0	0	0	114.4	N547 V557 T571 D573	N547-G559 PolarHBondContact ND2-O 2.82Å; V557-G559 PolarHBondContact O-N 3.36Å; G559-T571 CarbonylContact C-O 3.48Å; G559-T571 WeakPolarHBondContact CA-O 3.44Å; G559-D573 WeakPolarHBondContact CA-O 3.48Å; G559-D573 PolarHBondContact N-O 2.9Å
560	Y	85.1	Confident	80.2	Confident	8 Å²	8	57.3 Å²	57.3	3%	0.031	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.1	163.1	-166.6	55.1	-89.1	0	0	0	111.7	Q538 K562 T571 D573 L575	Q538-Y560 HydrophobicContact CB-CD2 3.75Å; Q538-Y560 HydrophobicContact CB-CG 4.16Å; Q538-Y560 VanDerWaalsContact OE1-CB 3.31Å; Y560-K562 HydrophobicContact CD2-CG 4.11Å; Y560-K562 HydrophobicContact CE2-CD 4.3Å; Y560-K562 HydrophobicContact CE2-CG 3.72Å; Y560-T571 HydrophobicContact CE1-CG2 4.11Å; Y560-T571 HydrophobicContact CE2-CG2 4.12Å; Y560-T571 PolarHBondContact N-O 2.94Å; Y560-T571 VanDerWaalsContact O-CB 3.24Å; Y560-T571 WeakPolarHBondContact O-CB 3.22Å; Y560-T571 PolarHBondContact O-N 3.45Å; Y560-T571 PolarHBondContact O-OG1 2.79Å; Y560-D573 HydrophobicContact CE1-CB 4.19Å; Y560-L575 HydrophobicContact CD1-CD1 4.27Å; Y560-L575 HydrophobicContact CE1-CD1 3.84Å; Y560-L575 HydrophobicContact CE1-CD2 4.28Å; Y560-L575 HydrophobicContact CE1-CG 3.95Å
561	Y	82.4	Confident	79.7	Confident	20 Å²	20	56.9 Å²	56.9	8%	0.078	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	134.4	173.7	-62.2	-88.3	0	0	0	110.8	Q538 L539 L570	Q538-Y561 VanDerWaalsContact CA-O 3.23Å; Q538-Y561 WeakPolarHBondContact CA-O 3.22Å; L539-Y561 PolarHBondContact N-O 3.23Å; L539-Y561 VanDerWaalsContact N-O 3.09Å; L539-Y561 PolarHBondContact O-N 3.29Å; Y561-L570 HydrophobicContact CD2-CD1 4.16Å; Y561-L570 HydrophobicContact CE1-CB 4.21Å; Y561-L570 HydrophobicContact CE2-CD1 3.77Å
562	K	77.4	Confident	79.4	Confident	119 Å²	119	58.8 Å²	58.8	52%	0.517	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	125.3	178	-69.8	-177.4	-177.8	175	0	110.6	Y560	Y560-K562 HydrophobicContact CD2-CG 4.11Å; Y560-K562 HydrophobicContact CE2-CD 4.3Å; Y560-K562 HydrophobicContact CE2-CG 3.72Å
563	G	66.6	Low	79.4	Confident	32 Å²	32	56.5 Å²	56.5	33%	0.33	29%	0.291	S	S	.	.	S	Bend	trans	75.6	177.6	177.5	0	0	0	0	0	114.2	C514 P537	C514-G563 PolarHBondContact SG-O 3Å; C514-G563 VanDerWaalsContact SG-O 3.37Å; P537-G563 PolarHBondContact O-N 3.05Å
564	A	60.7	Low	79.5	Confident	61 Å²	61	55 Å²	55	50%	0.504	28%	0.275	S	S	.	.	S	Bend	trans	-90.9	-14.8	-177.1	0	0	0	0	0	113.3	C514 R566	C514-A564 WeakPolarHBondContact SG-CA 3.28Å; C514-A564 VanDerWaalsContact SG-CB 3.58Å; C514-A564 PolarHBondContact SG-N 2.87Å; C514-A564 VanDerWaalsContact SG-N 3.42Å; A564-R566 PolarHBondContact O-N 3.01Å
565	D	55.5	Low	79.4	Confident	128 Å²	128	52.5 Å²	52.5	68%	0.684	27%	0.265	S	S	*	.	S	Bend	trans	-69.7	122	177.5	-73	-26.5	0	0	0	108.8	H567	D565-H567 PolarHBondContact O-N 3.11Å
566	R	51.5	Low	79.4	Confident	232 Å²	232	53.9 Å²	53.9	88%	0.875	27%	0.271	S	S	*	.			trans	-68.5	37.8	-173.4	-56.6	177.8	-174.8	177.1	1.4	113.6	A564 D568	A564-R566 PolarHBondContact O-N 3.01Å; R566-D568 PolarHBondContact O-N 2.82Å
567	H	51.3	Low	79.4	Confident	145 Å²	145	53.3 Å²	53.3	67%	0.671	27%	0.269	S	S	*	.			trans	-73.2	110.4	168.5	-68.2	87.6	0	0	0	106.8	D565 D569	D565-H567 PolarHBondContact O-N 3.11Å; H567-D569 PolarHBondContact O-N 2.99Å
568	D	60.5	Low	79.2	Confident	92 Å²	92	54.3 Å²	54.3	49%	0.492	27%	0.274	S	S	.	.			trans	-66.5	16.3	-172.4	-78.5	-39.6	0	0	0	114.5	R542 R566 L570	R542-D568 IonicContact CZ-OD1 2.76Å; R542-D568 IonicContact NH2-OD1 2.9Å; R542-D568 PolarHBondContact NH2-OD1 2.93Å; R542-D568 IonicContact NH2-OD2 2.85Å; R542-D568 PolarHBondContact NH2-OD2 3.37Å; R566-D568 PolarHBondContact O-N 2.82Å; D568-L570 PolarHBondContact O-N 2.76Å
569	D	69.4	Low	79	Confident	135 Å²	135	56.2 Å²	56.2	72%	0.722	29%	0.287	S	S	*	.			trans	-86.3	99.1	180	-71.2	-21.1	0	0	0	110.6	H567 T571	H567-D569 PolarHBondContact O-N 2.99Å; D569-T571 PolarHBondContact O-N 2.96Å
570	L	80.3	Confident	79	Confident	12 Å²	12	67.5 Å²	67.5	6%	0.063	33%	0.329	C	S	.	.			trans	-61.9	122.6	172.2	-176.5	72.8	0	0	0	110	Y561 D568 K572 M593 D595 Y597	Y561-L570 HydrophobicContact CD2-CD1 4.16Å; Y561-L570 HydrophobicContact CE1-CB 4.21Å; Y561-L570 HydrophobicContact CE2-CD1 3.77Å; D568-L570 PolarHBondContact O-N 2.76Å; L570-K572 PolarHBondContact O-N 3.18Å; L570-M593 HydrophobicContact CD2-SD 4.03Å; L570-D595 WeakPolarHBondContact CB-O 3.3Å; L570-Y597 HydrophobicContact CD2-CD1 3.82Å; L570-Y597 HydrophobicContact CD2-CE1 3.91Å
571	T	86.9	Confident	79.2	Confident	28 Å²	28	72.3 Å²	72.3	17%	0.172	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	120.6	167.7	-60	0	0	0	0	108.1	G559 Y560 D569 D573	G559-T571 CarbonylContact C-O 3.48Å; G559-T571 WeakPolarHBondContact CA-O 3.44Å; Y560-T571 HydrophobicContact CE1-CG2 4.11Å; Y560-T571 HydrophobicContact CE2-CG2 4.12Å; Y560-T571 PolarHBondContact N-O 2.94Å; Y560-T571 VanDerWaalsContact O-CB 3.24Å; Y560-T571 WeakPolarHBondContact O-CB 3.22Å; Y560-T571 PolarHBondContact O-N 3.45Å; Y560-T571 PolarHBondContact O-OG1 2.79Å; D569-T571 PolarHBondContact O-N 2.96Å; T571-D573 HydrophobicContact CG2-CB 4Å; T571-D573 PolarHBondContact O-N 3.44Å
572	K	88.4	Confident	79.5	Confident	50 Å²	50	76 Å²	76	22%	0.217	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	32.1	-175.6	-58.9	-174.2	-177.8	-175.2	0	114.1	L570 R590 A591 M593 D595	L570-K572 PolarHBondContact O-N 3.18Å; K572-R590 PolarHBondContact O-N 3.27Å; K572-A591 WeakPolarHBondContact O-CB 3.32Å; K572-A591 PolarHBondContact O-N 2.83Å; K572-M593 HydrophobicContact CB-CE 4.37Å; K572-M593 HydrophobicContact CB-CG 3.66Å; K572-M593 HydrophobicContact CB-SD 3.85Å; K572-M593 HydrophobicContact CD-CG 3.7Å; K572-M593 VanDerWaalsContact CE-O 3.31Å; K572-M593 WeakPolarHBondContact CE-O 3.45Å; K572-M593 HydrophobicContact CG-CG 3.54Å; K572-M593 HydrophobicContact CG-SD 3.96Å; K572-M593 PolarHBondContact NZ-O 2.74Å; K572-D595 WeakPolarHBondContact CE-OD1 3.35Å; K572-D595 IonicContact NZ-OD1 2.62Å; K572-D595 PolarHBondContact NZ-OD1 3.18Å
573	D	91.9	Very high	80.2	Confident	27 Å²	27	77.4 Å²	77.4	14%	0.144	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	140.1	178.8	-68.2	-11	0	0	0	109.7	G559 Y560 T571 V586 T588 R589 R590	G559-D573 WeakPolarHBondContact CA-O 3.48Å; G559-D573 PolarHBondContact N-O 2.9Å; Y560-D573 HydrophobicContact CE1-CB 4.19Å; T571-D573 HydrophobicContact CG2-CB 4Å; T571-D573 PolarHBondContact O-N 3.44Å; D573-V586 HydrophobicContact CB-CG1 4.18Å; D573-T588 CarbonylContact C-O 3.57Å; D573-T588 WeakPolarHBondContact CA-O 3.31Å; D573-R589 VanDerWaalsContact OD1-CA 3.29Å; D573-R589 WeakPolarHBondContact OD1-CA 3.48Å; D573-R590 PolarHBondContact OD1-N 3.47Å; D573-R590 VanDerWaalsContact OD1-N 3.09Å
574	I	94.6	Very high	81.5	Confident	0 Å²	0	77 Å²	77	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	117.1	172.8	-54.7	-180	0	0	0	107.8	F300 F302 Y556 V557 V587 T588 A591 M593	F300-I574 HydrophobicContact CE1-CD1 4.2Å; F300-I574 HydrophobicContact CZ-CD1 4.24Å; F302-I574 HydrophobicContact CB-CD1 3.99Å; F302-I574 HydrophobicContact CD1-CD1 3.71Å; F302-I574 HydrophobicContact CD1-CG2 4.37Å; F302-I574 HydrophobicContact CD2-CD1 3.77Å; F302-I574 HydrophobicContact CE1-CD1 4.07Å; F302-I574 HydrophobicContact CE1-CG2 4.28Å; F302-I574 HydrophobicContact CE2-CD1 4.12Å; F302-I574 HydrophobicContact CG-CD1 3.54Å; F302-I574 HydrophobicContact CZ-CD1 4.26Å; Y556-I574 HydrophobicContact CD1-CG2 4.27Å; V557-I574 WeakPolarHBondContact O-CA 3.44Å; I574-V587 HydrophobicContact CB-CG2 3.95Å; I574-V587 HydrophobicContact CG2-CG2 3.67Å; I574-V587 WeakPolarHBondContact O-CG2 3.34Å; I574-V587 PolarHBondContact O-N 2.93Å; I574-T588 PolarHBondContact N-O 3.02Å; I574-A591 HydrophobicContact CD1-CB 4.23Å; I574-A591 HydrophobicContact CG1-CB 4.38Å; I574-M593 HydrophobicContact CD1-CE 4.49Å; I574-M593 HydrophobicContact CG1-CE 4Å
575	L	95.3	Very high	83.1	Confident	1 Å²	1	76.3 Å²	76.3	1%	0.005	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	142.3	175.3	-51.7	178.7	0	0	0	109.6	Y556 V557 Y560 W584 T585 V586	Y556-L575 CarbonylContact C-O 3.49Å; Y556-L575 WeakPolarHBondContact CA-O 3.41Å; V557-L575 HydrophobicContact CB-CB 4.21Å; V557-L575 PolarHBondContact N-O 3.22Å; V557-L575 PolarHBondContact O-N 3.31Å; Y560-L575 HydrophobicContact CD1-CD1 4.27Å; Y560-L575 HydrophobicContact CE1-CD1 3.84Å; Y560-L575 HydrophobicContact CE1-CD2 4.28Å; Y560-L575 HydrophobicContact CE1-CG 3.95Å; L575-W584 HydrophobicContact CB-CE3 3.75Å; L575-W584 HydrophobicContact CB-CZ3 4.01Å; L575-T585 CarbonylContact C-O 3.56Å; L575-T585 VanDerWaalsContact CA-O 3.29Å; L575-T585 WeakPolarHBondContact CA-O 3.18Å; L575-V586 HydrophobicContact CD2-CB 4.47Å; L575-V586 HydrophobicContact CD2-CG2 3.76Å
576	E	96.5	Very high	85	Confident	28 Å²	28	73.1 Å²	73.1	13%	0.131	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	134.4	170.9	178.3	-177.5	111.6	0	0	109	K554 I555 Y556 W584 T585 V587	K554-E576 HydrophobicContact CB-CG 4.35Å; K554-E576 VanDerWaalsContact CD-CD 3.42Å; K554-E576 HydrophobicContact CD-CG 3.93Å; K554-E576 VanDerWaalsContact CD-OE1 3.3Å; K554-E576 WeakPolarHBondContact CD-OE1 3.45Å; K554-E576 IonicContact NZ-OE1 3.32Å; K554-E576 PolarHBondContact NZ-OE1 2.94Å; I555-E576 CarbonylContact O-C 3.54Å; I555-E576 WeakPolarHBondContact O-CA 3.47Å; Y556-E576 HydrophobicContact CD1-CB 3.95Å; Y556-E576 HydrophobicContact CD1-CG 4.21Å; Y556-E576 HydrophobicContact CE1-CB 3.67Å; Y556-E576 HydrophobicContact CE1-CG 3.58Å; Y556-E576 WeakPolarHBondContact CE1-OE2 3.47Å; Y556-E576 VanDerWaalsContact CZ-OE2 3.22Å; Y556-E576 PolarHBondContact OH-OE2 3.15Å; E576-W584 CarbonylContact O-C 3.56Å; E576-W584 WeakPolarHBondContact O-CA 3.45Å; E576-T585 PolarHBondContact N-O 2.83Å; E576-T585 PolarHBondContact O-N 3.39Å; E576-V587 HydrophobicContact CB-CG1 3.49Å; E576-V587 VanDerWaalsContact CB-CG1 3.49Å; E576-V587 HydrophobicContact CB-CG2 4.31Å; E576-V587 HydrophobicContact CG-CG1 4.31Å
577	L	96.3	Very high	87	Confident	2 Å²	2	64.8 Å²	64.8	1%	0.01	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	114.7	163.3	169.7	63.7	0	0	0	108.7	P532 I555 P579 W584	P532-L577 HydrophobicContact CB-CD1 4.42Å; P532-L577 HydrophobicContact CG-CD1 3.51Å; P532-L577 HydrophobicContact CG-CD2 3.71Å; P532-L577 HydrophobicContact CG-CG 4.28Å; I555-L577 HydrophobicContact CB-CB 4.19Å; I555-L577 HydrophobicContact CD1-CD2 4.13Å; I555-L577 PolarHBondContact N-O 3.09Å; I555-L577 PolarHBondContact O-N 3.03Å; L577-P579 WeakPolarHBondContact O-CD 3.42Å; L577-W584 HydrophobicContact CB-CD2 3.81Å; L577-W584 HydrophobicContact CB-CE3 3.65Å; L577-W584 HydrophobicContact CB-CH2 3.69Å; L577-W584 HydrophobicContact CB-CZ2 3.82Å; L577-W584 HydrophobicContact CB-CZ3 3.59Å; L577-W584 HydrophobicContact CD2-CH2 4.24Å; L577-W584 HydrophobicContact CD2-CZ2 3.72Å; L577-W584 HydrophobicContact CG-CZ2 4.34Å
578	D	92.4	Very high	89	Confident	21 Å²	21	59.5 Å²	59.5	11%	0.112	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	116.8	166.2	-166.9	-36.4	0	0	0	108.9	K554 W580 E581 N582	K554-D578 HydrophobicContact CD-CB 4.22Å; K554-D578 WeakPolarHBondContact CE-OD2 3.24Å; K554-D578 IonicContact NZ-OD2 2.7Å; K554-D578 PolarHBondContact NZ-OD2 2.76Å; D578-W580 PolarHBondContact O-N 3.1Å; D578-W580 WeakPolarHBondContact OD1-CB 3.49Å; D578-W580 PolarHBondContact OD1-N 3.32Å; D578-E581 HydrophobicContact CB-CB 4.19Å; D578-E581 HydrophobicContact CB-CG 4.28Å; D578-E581 PolarHBondContact O-N 3.18Å; D578-N582 PolarHBondContact O-N 3.05Å
579	P	87.9	Confident	90.4	Very high	40 Å²	40	64.3 Å²	64.3	26%	0.26	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-25.9	179.5	-21.1	31.8	0	0	0	113.7	L491 G553 L577	L491-P579 HydrophobicContact CD2-CB 4.41Å; L491-P579 HydrophobicContact CD2-CG 3.35Å; G553-P579 WeakPolarHBondContact O-CD 3.35Å; G553-P579 WeakPolarHBondContact O-CG 3.48Å; L577-P579 WeakPolarHBondContact O-CD 3.42Å
580	W	88.2	Confident	91.3	Very high	237 Å²	237	68.3 Å²	68.3	90%	0.898	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-37.7	179.7	-60.8	101.1	0	0	0	112	D578	D578-W580 PolarHBondContact O-N 3.1Å; D578-W580 WeakPolarHBondContact OD1-CB 3.49Å; D578-W580 PolarHBondContact OD1-N 3.32Å
581	E	88.8	Confident	91.6	Very high	109 Å²	109	68.1 Å²	68.1	51%	0.509	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-18.9	174.8	-62.1	-164.1	-177.4	0	0	113	D578 R583	D578-E581 HydrophobicContact CB-CB 4.19Å; D578-E581 HydrophobicContact CB-CG 4.28Å; D578-E581 PolarHBondContact O-N 3.18Å; E581-R583 PolarHBondContact O-N 3.07Å; E581-R583 IonicContact OE2-CZ 2.94Å; E581-R583 IonicContact OE2-NE 2.89Å; E581-R583 IonicContact OE2-NH2 3.63Å; E581-R583 PolarHBondContact OE2-NH2 3.15Å
582	N	88.5	Confident	91.6	Very high	97 Å²	97	69.1 Å²	69.1	52%	0.519	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.4	38.7	-178	-162.4	36.8	0	0	0	113.2	P532 D578	P532-N582 WeakPolarHBondContact CB-O 3.3Å; P532-N582 WeakPolarHBondContact CB-OD1 3.48Å; P532-N582 WeakPolarHBondContact CD-OD1 3.22Å; P532-N582 WeakPolarHBondContact CG-OD1 3.4Å; D578-N582 PolarHBondContact O-N 3.05Å
583	R	92	Very high	91.5	Very high	148 Å²	148	66.8 Å²	66.8	56%	0.558	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.5	140.8	-176.1	-177.6	179.8	59.6	-176.4	-7.3	111.6	E581	E581-R583 PolarHBondContact O-N 3.07Å; E581-R583 IonicContact OE2-CZ 2.94Å; E581-R583 IonicContact OE2-NE 2.89Å; E581-R583 IonicContact OE2-NH2 3.63Å; E581-R583 PolarHBondContact OE2-NH2 3.15Å
584	W	94.5	Very high	91	Very high	24 Å²	24	66 Å²	66	9%	0.091	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	130.9	171.6	-68.8	96.9	0	0	0	111.7	I498 V518 P532 L534 P535 I555 V557 L575 E576 L577	I498-W584 HydrophobicContact CD1-CH2 4.14Å; I498-W584 HydrophobicContact CD1-CZ2 4.39Å; V518-W584 HydrophobicContact CG2-CZ2 4.19Å; P532-W584 PolarHBondContact O-NE1 2.79Å; L534-W584 HydrophobicContact CD2-CD2 3.9Å; L534-W584 VanDerWaalsContact CD2-CE2 3.45Å; L534-W584 HydrophobicContact CD2-CE3 4.32Å; L534-W584 HydrophobicContact CD2-CH2 3.89Å; L534-W584 HydrophobicContact CD2-CZ2 3.45Å; L534-W584 VanDerWaalsContact CD2-CZ2 3.45Å; L534-W584 HydrophobicContact CD2-CZ3 4.31Å; P535-W584 HydrophobicContact CG-CB 3.88Å; I555-W584 HydrophobicContact CG2-CH2 3.91Å; I555-W584 HydrophobicContact CG2-CZ3 4.41Å; V557-W584 HydrophobicContact CG2-CH2 3.68Å; V557-W584 HydrophobicContact CG2-CZ3 3.69Å; L575-W584 HydrophobicContact CB-CE3 3.75Å; L575-W584 HydrophobicContact CB-CZ3 4.01Å; E576-W584 CarbonylContact O-C 3.56Å; E576-W584 WeakPolarHBondContact O-CA 3.45Å; L577-W584 HydrophobicContact CB-CD2 3.81Å; L577-W584 HydrophobicContact CB-CE3 3.65Å; L577-W584 HydrophobicContact CB-CH2 3.69Å; L577-W584 HydrophobicContact CB-CZ2 3.82Å; L577-W584 HydrophobicContact CB-CZ3 3.59Å; L577-W584 HydrophobicContact CD2-CH2 4.24Å; L577-W584 HydrophobicContact CD2-CZ2 3.72Å; L577-W584 HydrophobicContact CG-CZ2 4.34Å
585	T	95.1	Very high	90.2	Very high	46 Å²	46	70.1 Å²	70.1	28%	0.282	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	155.9	173	66.6	0	0	0	0	110.4	L575 E576	L575-T585 CarbonylContact C-O 3.56Å; L575-T585 VanDerWaalsContact CA-O 3.29Å; L575-T585 WeakPolarHBondContact CA-O 3.18Å; E576-T585 PolarHBondContact N-O 2.83Å; E576-T585 PolarHBondContact O-N 3.39Å
586	V	94.4	Very high	89.3	Confident	61 Å²	61	70.6 Å²	70.6	37%	0.37	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	108.5	175.1	-172.7	0	0	0	0	107.8	D573 L575 R589	D573-V586 HydrophobicContact CB-CG1 4.18Å; L575-V586 HydrophobicContact CD2-CB 4.47Å; L575-V586 HydrophobicContact CD2-CG2 3.76Å; V586-R589 HydrophobicContact CG1-CG 3.63Å
587	V	94.1	Very high	88.8	Confident	57 Å²	57	69.4 Å²	69.4	35%	0.345	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	-23.4	-177.1	-67.4	0	0	0	0	112.9	F302 Y556 I574 E576	F302-V587 HydrophobicContact CE1-CG2 4.4Å; Y556-V587 HydrophobicContact CD1-CG2 4.34Å; Y556-V587 HydrophobicContact CE1-CG2 4.32Å; I574-V587 HydrophobicContact CB-CG2 3.95Å; I574-V587 HydrophobicContact CG2-CG2 3.67Å; I574-V587 WeakPolarHBondContact O-CG2 3.34Å; I574-V587 PolarHBondContact O-N 2.93Å; E576-V587 HydrophobicContact CB-CG1 3.49Å; E576-V587 VanDerWaalsContact CB-CG1 3.49Å; E576-V587 HydrophobicContact CB-CG2 4.31Å; E576-V587 HydrophobicContact CG-CG1 4.31Å
588	T	92.6	Very high	88.3	Confident	35 Å²	35	69.3 Å²	69.3	22%	0.215	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	132.7	174	-62.6	0	0	0	0	109	F302 D573 I574 A591	F302-T588 WeakPolarHBondContact CE2-OG1 3.34Å; F302-T588 WeakPolarHBondContact CZ-OG1 3.32Å; D573-T588 CarbonylContact C-O 3.57Å; D573-T588 WeakPolarHBondContact CA-O 3.31Å; I574-T588 PolarHBondContact N-O 3.02Å; T588-A591 HydrophobicContact CG2-CB 3.88Å
589	R	91	Very high	88.2	Confident	193 Å²	193	68.4 Å²	68.4	73%	0.728	31%	0.311	S	S	*	.	S	Bend	trans	-106.3	140.9	174.1	-72	-177.2	179.2	165.4	1.1	109.8	D573 V586 A591	D573-R589 VanDerWaalsContact OD1-CA 3.29Å; D573-R589 WeakPolarHBondContact OD1-CA 3.48Å; V586-R589 HydrophobicContact CG1-CG 3.63Å; R589-A591 VanDerWaalsContact C-N 3.26Å; R589-A591 PolarHBondContact O-N 3.13Å
590	R	86.8	Confident	88.5	Confident	219 Å²	219	66.9 Å²	66.9	83%	0.826	30%	0.301	S	S	*	.	S	Bend	trans	48.1	50.2	178.8	-59.1	-179.4	179.4	165.8	-1.4	112.1	K572 D573	K572-R590 PolarHBondContact O-N 3.27Å; D573-R590 PolarHBondContact OD1-N 3.47Å; D573-R590 VanDerWaalsContact OD1-N 3.09Å
591	A	88.2	Confident	88.9	Confident	8 Å²	8	56.3 Å²	56.3	7%	0.066	26%	0.262	C	S	.	.			trans	-53.1	149.4	175.2	0	0	0	0	0	109.7	F300 K572 I574 T588 R589 M593	F300-A591 HydrophobicContact CE2-CB 4.39Å; F300-A591 HydrophobicContact CZ-CB 3.94Å; K572-A591 WeakPolarHBondContact O-CB 3.32Å; K572-A591 PolarHBondContact O-N 2.83Å; I574-A591 HydrophobicContact CD1-CB 4.23Å; I574-A591 HydrophobicContact CG1-CB 4.38Å; T588-A591 HydrophobicContact CG2-CB 3.88Å; R589-A591 VanDerWaalsContact C-N 3.26Å; R589-A591 PolarHBondContact O-N 3.13Å; A591-M593 HydrophobicContact CB-CE 3.65Å; A591-M593 HydrophobicContact CB-CG 4.35Å; A591-M593 PolarHBondContact O-N 3.33Å
592	L	86.5	Confident	89.2	Confident	48 Å²	48	53.2 Å²	53.2	25%	0.251	25%	0.25	S	S	.	.	S	Bend	trans	-72.9	53.2	173.6	-61.2	176.3	0	0	0	110.1	I288 F300 Y311 P613 L617 V618	I288-L592 HydrophobicContact CD1-CB 4.3Å; I288-L592 WeakPolarHBondContact CD1-O 3.34Å; F300-L592 WeakPolarHBondContact CD2-O 3.41Å; Y311-L592 WeakPolarHBondContact OH-CB 3.46Å; Y311-L592 PolarHBondContact OH-O 2.94Å; L592-P613 HydrophobicContact CD1-CB 4.26Å; L592-L617 HydrophobicContact CD1-CB 4.07Å; L592-L617 HydrophobicContact CD2-CB 4.06Å; L592-V618 HydrophobicContact CD1-CG2 4.41Å
593	M	85.9	Confident	89.6	Confident	1 Å²	1	48.6 Å²	48.6	1%	0.005	23%	0.226	C	C	.	.			trans	-96.2	161.8	172.6	64.8	174.5	73.7	0	0	109.9	F300 L570 K572 I574 A591	F300-M593 HydrophobicContact CB-CB 4.15Å; F300-M593 HydrophobicContact CD1-CB 3.88Å; F300-M593 HydrophobicContact CD2-CB 4.2Å; F300-M593 HydrophobicContact CE1-CB 4.32Å; F300-M593 HydrophobicContact CE1-CE 4.38Å; F300-M593 HydrophobicContact CG-CB 3.81Å; L570-M593 HydrophobicContact CD2-SD 4.03Å; K572-M593 HydrophobicContact CB-CE 4.37Å; K572-M593 HydrophobicContact CB-CG 3.66Å; K572-M593 HydrophobicContact CB-SD 3.85Å; K572-M593 HydrophobicContact CD-CG 3.7Å; K572-M593 VanDerWaalsContact CE-O 3.31Å; K572-M593 WeakPolarHBondContact CE-O 3.45Å; K572-M593 HydrophobicContact CG-CG 3.54Å; K572-M593 HydrophobicContact CG-SD 3.96Å; K572-M593 PolarHBondContact NZ-O 2.74Å; I574-M593 HydrophobicContact CD1-CE 4.49Å; I574-M593 HydrophobicContact CG1-CE 4Å; A591-M593 HydrophobicContact CB-CE 3.65Å; A591-M593 HydrophobicContact CB-CG 4.35Å; A591-M593 PolarHBondContact O-N 3.33Å
594	H	81.5	Confident	89.6	Confident	11 Å²	11	42.9 Å²	42.9	5%	0.051	21%	0.208	C	C	.	.			trans	-63.9	156.5	174	-65.9	-90.2	0	0	0	111.1	G286 Y295 R298 N596	G286-H594 PolarHBondContact O-ND1 3.05Å; Y295-H594 PolarHBondContact O-CE1 2.88Å; R298-H594 PolarHBondContact O-CE1 2.87Å; R298-H594 PolarHBondContact O-NE2 3.09Å; H594-N596 VanDerWaalsContact CB-O 3.28Å; H594-N596 WeakPolarHBondContact CB-O 3.04Å; H594-N596 PolarHBondContact O-N 3.2Å
595	D	77.8	Confident	89.4	Confident	87 Å²	87	42 Å²	42	47%	0.465	21%	0.206	S	C	.	.	S	Bend	trans	-68.5	-14.3	175.9	-64.1	-43	0	0	0	112.6	L570 K572	L570-D595 WeakPolarHBondContact CB-O 3.3Å; K572-D595 WeakPolarHBondContact CE-OD1 3.35Å; K572-D595 IonicContact NZ-OD1 2.62Å; K572-D595 PolarHBondContact NZ-OD1 3.18Å
596	N	77.4	Confident	89.1	Confident	11 Å²	11	40.4 Å²	40.4	6%	0.059	20%	0.195	C	C	.	.			trans	-151.3	141.6	174.7	-176.6	17.4	0	0	0	108.7	D284 H594	D284-N596 HydrophobicContact CB-CB 4.04Å; D284-N596 PolarHBondContact OD2-ND2 3.1Å; D284-N596 VanDerWaalsContact OD2-ND2 3.08Å; H594-N596 VanDerWaalsContact CB-O 3.28Å; H594-N596 WeakPolarHBondContact CB-O 3.04Å; H594-N596 PolarHBondContact O-N 3.2Å
597	Y	84.9	Confident	88.7	Confident	2 Å²	2	38.2 Å²	38.2	1%	0.008	18%	0.182	C	C	.	.			trans	-149	163.6	168.9	74.5	-90.6	0	0	0	108.9	C280 L541 N547 C558 L570 V599 C600	C280-Y597 HydrophobicContact CB-CD1 4.12Å; C280-Y597 HydrophobicContact CB-CD2 3.79Å; C280-Y597 HydrophobicContact CB-CE1 4.22Å; C280-Y597 HydrophobicContact CB-CE2 3.91Å; C280-Y597 HydrophobicContact CB-CG 3.89Å; L541-Y597 HydrophobicContact CD1-CD2 3.93Å; L541-Y597 HydrophobicContact CD1-CE2 3.52Å; L541-Y597 HydrophobicContact CD2-CD1 4.19Å; L541-Y597 HydrophobicContact CD2-CD2 4.14Å; L541-Y597 HydrophobicContact CD2-CE1 3.74Å; L541-Y597 HydrophobicContact CD2-CE2 3.68Å; L541-Y597 HydrophobicContact CD2-CG 4.37Å; L541-Y597 VanDerWaalsContact CD2-CZ 3.47Å; L541-Y597 HydrophobicContact CG-CE2 4.23Å; N547-Y597 WeakPolarHBondContact CA-OH 3.46Å; N547-Y597 WeakPolarHBondContact CB-OH 3.49Å; C558-Y597 VanDerWaalsContact O-CE1 3.23Å; C558-Y597 WeakPolarHBondContact O-CE1 3.5Å; C558-Y597 VanDerWaalsContact O-CZ 3.24Å; C558-Y597 PolarHBondContact O-OH 3.21Å; L570-Y597 HydrophobicContact CD2-CD1 3.82Å; L570-Y597 HydrophobicContact CD2-CE1 3.91Å; Y597-V599 VanDerWaalsContact CD2-O 3.27Å; Y597-V599 WeakPolarHBondContact CD2-O 3.33Å; Y597-V599 WeakPolarHBondContact CE2-O 3.43Å; Y597-C600 HydrophobicContact CE2-CB 4.03Å
598	D	85.6	Confident	88.2	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	18%	0.18	C	C	.	.	S	Bend	trans	-108.1	-28.1	-163.9	-62.1	-55.2	0	0	0	113.6	V281 G282 N283 Y323 V324 L541 T543 A545	V281-D598 PolarHBondContact O-N 3.13Å; G282-D598 WeakPolarHBondContact CA-OD2 3.48Å; N283-D598 PolarHBondContact N-OD2 2.81Å; Y323-D598 WeakPolarHBondContact CE2-OD1 3Å; Y323-D598 PolarHBondContact OH-OD1 2.91Å; V324-D598 HydrophobicContact CB-CB 3.78Å; V324-D598 HydrophobicContact CG1-CB 4.13Å; V324-D598 WeakPolarHBondContact O-CB 3.4Å; V324-D598 VanDerWaalsContact O-CG 3.24Å; L541-D598 VanDerWaalsContact CD1-C 3.42Å; L541-D598 VanDerWaalsContact CD1-O 3.25Å; L541-D598 WeakPolarHBondContact CD1-O 3.22Å; T543-D598 HydrophobicContact CG2-CB 4.16Å; T543-D598 PolarHBondContact OG1-O 3.42Å; A545-D598 WeakPolarHBondContact CB-O 3.37Å
599	V	91.5	Very high	87.6	Confident	3 Å²	3	39.2 Å²	39.2	2%	0.018	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	144.2	178.6	-56.3	0	0	0	0	111.7	C280 V281 V324 A545 Y597 L601	C280-V599 CarbonylContact C-O 3.51Å; C280-V599 WeakPolarHBondContact CA-O 3.35Å; V281-V599 HydrophobicContact CB-CG2 3.8Å; V281-V599 PolarHBondContact N-O 2.83Å; V281-V599 PolarHBondContact O-N 2.92Å; V324-V599 HydrophobicContact CG1-CG1 3.85Å; V324-V599 HydrophobicContact CG1-CG2 4.11Å; A545-V599 HydrophobicContact CB-CB 4.21Å; A545-V599 HydrophobicContact CB-CG1 3.64Å; Y597-V599 VanDerWaalsContact CD2-O 3.27Å; Y597-V599 WeakPolarHBondContact CD2-O 3.33Å; Y597-V599 WeakPolarHBondContact CE2-O 3.43Å; V599-L601 HydrophobicContact CG2-CD1 4.2Å; V599-L601 HydrophobicContact CG2-CD2 4.49Å; V599-L601 HydrophobicContact CG2-CG 4.08Å
600	C	94	Very high	87.5	Confident	8 Å²	8	31 Å²	31	5%	0.054	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	123.5	164.1	-166.8	0	0	0	0	109.7	L279 S546 N547 Y597	L279-C600 CarbonylContact O-C 3.5Å; L279-C600 VanDerWaalsContact O-CA 3.25Å; L279-C600 WeakPolarHBondContact O-CA 3.31Å; S546-C600 WeakPolarHBondContact O-CB 3.39Å; S546-C600 PolarHBondContact O-N 2.87Å; N547-C600 VanDerWaalsContact C-CB 3.4Å; Y597-C600 HydrophobicContact CE2-CB 4.03Å
601	L	95.4	Very high	87.5	Confident	15 Å²	15	22.5 Å²	22.5	8%	0.079	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	159	-179.1	-54.6	176.7	0	0	0	110.6	L278 L279 G327 V329 I335 V337 V599	L278-L601 CarbonylContact C-O 3.58Å; L278-L601 WeakPolarHBondContact CA-O 3.44Å; L279-L601 HydrophobicContact CB-CB 4.27Å; L279-L601 PolarHBondContact N-O 2.97Å; L279-L601 PolarHBondContact O-N 2.91Å; G327-L601 VanDerWaalsContact C-CD2 3.45Å; G327-L601 WeakPolarHBondContact O-CD2 3.38Å; V329-L601 HydrophobicContact CG2-CB 3.84Å; V329-L601 HydrophobicContact CG2-CD1 4.25Å; I335-L601 HydrophobicContact CG2-CD1 3.92Å; V337-L601 HydrophobicContact CG1-CD1 4.4Å; V599-L601 HydrophobicContact CG2-CD1 4.2Å; V599-L601 HydrophobicContact CG2-CD2 4.49Å; V599-L601 HydrophobicContact CG2-CG 4.08Å
602	V	96.4	Very high	87.4	Confident	43 Å²	43	25.7 Å²	25.7	26%	0.261	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	121.2	171.7	-179.2	0	0	0	0	109.4	L277 L278 V329 V551	L277-V602 WeakPolarHBondContact O-CA 3.41Å; L278-V602 HydrophobicContact CD2-CG2 3.85Å; V329-V602 WeakPolarHBondContact CB-O 3.45Å; V329-V602 WeakPolarHBondContact CG1-O 3.3Å; V329-V602 WeakPolarHBondContact CG2-O 3.34Å; V551-V602 HydrophobicContact CG2-CG1 3.9Å; V551-V602 HydrophobicContact CG2-CG2 4.33Å
603	A	95.4	Very high	87.4	Confident	1 Å²	1	25 Å²	25	1%	0.008	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	152.6	174.9	0	0	0	0	0	111.5	L277 L279 V329 N333 I335	L277-A603 PolarHBondContact N-O 2.84Å; L277-A603 PolarHBondContact O-N 3.26Å; L277-A603 VanDerWaalsContact O-N 3.13Å; L279-A603 HydrophobicContact CD1-CB 3.6Å; V329-A603 HydrophobicContact CG1-CB 4.16Å; V329-A603 HydrophobicContact CG2-CB 4.1Å; N333-A603 WeakPolarHBondContact OD1-CA 3.27Å; I335-A603 HydrophobicContact CD1-CB 3.75Å; I335-A603 HydrophobicContact CG1-CB 3.62Å
604	S	92.5	Very high	87.2	Confident	28 Å²	28	25 Å²	25	20%	0.196	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	115	175.5	-144.2	0	0	0	0	110	T275 D276 N333	T275-S604 WeakPolarHBondContact O-CA 3.36Å; D276-S604 VanDerWaalsContact OD1-CB 3.23Å; D276-S604 WeakPolarHBondContact OD1-CB 3.46Å; D276-S604 PolarHBondContact OD1-OG 3.02Å; N333-S604 PolarHBondContact ND2-O 2.86Å; N333-S604 PolarHBondContact OD1-N 3.25Å
605	L	90.9	Very high	87.2	Confident	6 Å²	6	28.2 Å²	28.2	3%	0.031	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	157.8	178.4	-59.7	173.8	0	0	0	110.2	T275 L277 L279 I312 I335 V361 P607 L610	T275-L605 PolarHBondContact N-O 3.21Å; T275-L605 PolarHBondContact O-N 3.01Å; L277-L605 HydrophobicContact CD1-CB 3.82Å; L277-L605 HydrophobicContact CD1-CD1 4.17Å; L277-L605 HydrophobicContact CD1-CG 4.34Å; L279-L605 HydrophobicContact CD2-CD1 4.12Å; I312-L605 HydrophobicContact CG2-CD1 4.15Å; I335-L605 HydrophobicContact CD1-CD1 4.16Å; I335-L605 HydrophobicContact CD1-CD2 4.13Å; I335-L605 HydrophobicContact CD1-CG 4.49Å; V361-L605 HydrophobicContact CG1-CD2 4.35Å; V361-L605 HydrophobicContact CG2-CD2 3.87Å; L605-P607 VanDerWaalsContact O-CD 3.31Å; L605-P607 WeakPolarHBondContact O-CD 3.4Å; L605-L610 HydrophobicContact CB-CD2 4.3Å; L605-L610 HydrophobicContact CD1-CD2 4.01Å
606	N	88.3	Confident	87.2	Confident	12 Å²	12	25 Å²	25	6%	0.064	16%	0.156	C	C	.	.			trans	-78.6	118	171.4	-175.4	-25	0	0	0	110.1	Y270 E273 R608 G609	Y270-N606 VanDerWaalsContact CD2-ND2 3.28Å; Y270-N606 WeakPolarHBondContact CD2-ND2 3.39Å; Y270-N606 HydrophobicContact CE2-CB 4.43Å; Y270-N606 WeakPolarHBondContact CE2-ND2 3.38Å; Y270-N606 PolarHBondContact O-ND2 2.79Å; E273-N606 VanDerWaalsContact O-CA 3.28Å; E273-N606 WeakPolarHBondContact O-CA 3.35Å; E273-N606 WeakPolarHBondContact O-CB 3.39Å; E273-N606 PolarHBondContact O-ND2 3.14Å; N606-R608 PolarHBondContact O-N 2.75Å; N606-R608 VanDerWaalsContact O-N 3.13Å; N606-R608 VanDerWaalsContact OD1-CB 3.31Å; N606-R608 WeakPolarHBondContact OD1-CB 3.48Å; N606-R608 WeakPolarHBondContact OD1-CG 3.48Å; N606-R608 PolarHBondContact OD1-N 3.38Å; N606-G609 PolarHBondContact O-N 2.64Å
607	P	85.4	Confident	87.2	Confident	14 Å²	14	26.9 Å²	26.9	9%	0.091	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-57.6	-27.5	178.6	-24	34.7	0	0	0	114.9	T275 Y310 L605 G609 L610	T275-P607 WeakPolarHBondContact OG1-CG 3.29Å; Y310-P607 HydrophobicContact CE1-CB 3.96Å; Y310-P607 HydrophobicContact CE2-CB 4.37Å; L605-P607 VanDerWaalsContact O-CD 3.31Å; L605-P607 WeakPolarHBondContact O-CD 3.4Å; P607-G609 VanDerWaalsContact C-N 3.26Å; P607-G609 PolarHBondContact O-N 2.98Å; P607-L610 PolarHBondContact O-N 2.89Å
608	R	83.6	Confident	86.6	Confident	82 Å²	82	31 Å²	31	31%	0.309	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-67.9	-25.5	177.1	-59.9	-172.3	-167.1	171.1	12.1	112.9	L268 Y270 E273 N606 L610	L268-R608 PolarHBondContact O-NH1 3.03Å; L268-R608 PolarHBondContact O-NH2 3.34Å; Y270-R608 HydrophobicContact CD2-CB 4.11Å; Y270-R608 HydrophobicContact CE2-CB 4.04Å; E273-R608 IonicContact OE2-CZ 3.09Å; E273-R608 IonicContact OE2-NE 3.84Å; E273-R608 PolarHBondContact OE2-NE 2.9Å; E273-R608 IonicContact OE2-NH2 3.01Å; E273-R608 PolarHBondContact OE2-NH2 3.43Å; N606-R608 PolarHBondContact O-N 2.75Å; N606-R608 VanDerWaalsContact O-N 3.13Å; N606-R608 VanDerWaalsContact OD1-CB 3.31Å; N606-R608 WeakPolarHBondContact OD1-CB 3.48Å; N606-R608 WeakPolarHBondContact OD1-CG 3.48Å; N606-R608 PolarHBondContact OD1-N 3.38Å; R608-L610 VanDerWaalsContact C-N 3.31Å
609	G	81.3	Confident	85	Confident	32 Å²	32	40 Å²	40	33%	0.33	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-84.9	-4.4	176.1	0	0	0	0	0	113.6	N606 P607	N606-G609 PolarHBondContact O-N 2.64Å; P607-G609 VanDerWaalsContact C-N 3.26Å; P607-G609 PolarHBondContact O-N 2.98Å
610	L	87.8	Confident	82.6	Confident	19 Å²	19	50 Å²	50	10%	0.099	28%	0.282	C	S	.	.	S	Bend	trans	-96.9	154.3	-176	-52.7	179.5	0	0	0	111.8	L277 Y310 I312 L605 P607 R608 S612	L277-L610 HydrophobicContact CD1-CD1 3.33Å; Y310-L610 HydrophobicContact CD1-CB 3.99Å; Y310-L610 HydrophobicContact CD1-CD1 4.24Å; Y310-L610 HydrophobicContact CD2-CD1 4.39Å; Y310-L610 HydrophobicContact CG-CB 4.25Å; Y310-L610 HydrophobicContact CG-CD1 3.86Å; I312-L610 HydrophobicContact CG2-CD2 3.63Å; L605-L610 HydrophobicContact CB-CD2 4.3Å; L605-L610 HydrophobicContact CD1-CD2 4.01Å; P607-L610 PolarHBondContact O-N 2.89Å; R608-L610 VanDerWaalsContact C-N 3.31Å; L610-S612 PolarHBondContact O-N 2.67Å
611	V	87.6	Confident	82	Confident	41 Å²	41	52.2 Å²	52.2	25%	0.248	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-76.5	127.2	175.9	-179.1	0	0	0	0	108.9	Y295 Y310 Y311	Y295-V611 HydrophobicContact CE1-CG1 3.92Å; Y310-V611 CarbonylContact C-O 3.6Å; Y311-V611 PolarHBondContact N-O 2.8Å; Y311-V611 PolarHBondContact O-N 3.42Å
612	S	86.8	Confident	81.3	Confident	76 Å²	76	54.1 Å²	54.1	53%	0.531	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-70.6	156.4	175.9	-69.9	0	0	0	0	111.3	Y295 L610	Y295-S612 WeakPolarHBondContact CE1-O 3.32Å; Y295-S612 PolarHBondContact OH-O 3.45Å; L610-S612 PolarHBondContact O-N 2.67Å
613	P	85.7	Confident	80.4	Confident	33 Å²	33	54.7 Å²	54.7	21%	0.214	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-63.4	153.2	176.1	24.3	-32.5	0	0	0	112.6	A309 Y311 L592 S615 V618	A309-P613 WeakPolarHBondContact O-CD 3.46Å; Y311-P613 HydrophobicContact CE2-CB 3.82Å; L592-P613 HydrophobicContact CD1-CB 4.26Å; P613-S615 PolarHBondContact O-N 3Å; P613-V618 HydrophobicContact CB-CG2 3.56Å; P613-V618 HydrophobicContact CG-CG2 3.6Å
614	P	82	Confident	79.6	Confident	2 Å²	2	57.9 Å²	57.9	1%	0.013	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-59.8	121.5	176.8	-6	12.8	0	0	0	110.9	I288 S290 Y295 D616 L617 V618	I288-P614 HydrophobicContact CG2-CG 4.17Å; S290-P614 VanDerWaalsContact CB-CB 3.48Å; S290-P614 WeakPolarHBondContact OG-CB 3.48Å; Y295-P614 HydrophobicContact CD1-CG 4.04Å; Y295-P614 HydrophobicContact CD2-CB 4.28Å; Y295-P614 HydrophobicContact CD2-CG 3.69Å; Y295-P614 HydrophobicContact CE1-CG 3.86Å; Y295-P614 HydrophobicContact CE2-CB 3.74Å; Y295-P614 HydrophobicContact CE2-CG 3.5Å; Y295-P614 VanDerWaalsContact CE2-CG 3.5Å; Y295-P614 HydrophobicContact CG-CG 3.97Å; P614-D616 VanDerWaalsContact CB-OD1 3.29Å; P614-D616 WeakPolarHBondContact CB-OD1 3.39Å; P614-D616 PolarHBondContact O-N 3.17Å; P614-D616 VanDerWaalsContact O-N 3.09Å; P614-L617 HydrophobicContact CB-CB 4.44Å; P614-L617 HydrophobicContact CB-CD1 4.33Å; P614-L617 HydrophobicContact CB-CG 4.39Å; P614-L617 HydrophobicContact CG-CD1 4.08Å; P614-L617 PolarHBondContact O-N 2.67Å; P614-V618 WeakPolarHBondContact O-CG2 3.44Å; P614-V618 PolarHBondContact O-N 3.31Å
615	S	81	Confident	78.8	Confident	78 Å²	78	59.8 Å²	59.8	55%	0.545	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-24.5	-172.2	53.2	0	0	0	0	114.3	P613	P613-S615 PolarHBondContact O-N 3Å
616	D	78	Confident	78	Confident	20 Å²	20	63.3 Å²	63.3	11%	0.107	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-22.2	175.7	54.9	-34	0	0	0	114.2	S290 R291 Y292 P614	S290-D616 VanDerWaalsContact OG-CG 3.27Å; S290-D616 PolarHBondContact OG-OD1 3.46Å; S290-D616 PolarHBondContact OG-OD2 2.88Å; R291-D616 PolarHBondContact N-OD2 2.89Å; Y292-D616 HydrophobicContact CD2-CB 3.93Å; Y292-D616 HydrophobicContact CE2-CB 3.85Å; P614-D616 VanDerWaalsContact CB-OD1 3.29Å; P614-D616 WeakPolarHBondContact CB-OD1 3.39Å; P614-D616 PolarHBondContact O-N 3.17Å; P614-D616 VanDerWaalsContact O-N 3.09Å
617	L	76.2	Confident	77.2	Confident	50 Å²	50	67 Å²	67	26%	0.262	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-10.1	-177.7	-63.5	-178.1	0	0	0	113.3	I288 L592 P614	I288-L617 HydrophobicContact CG2-CD1 3.28Å; L592-L617 HydrophobicContact CD1-CB 4.07Å; L592-L617 HydrophobicContact CD2-CB 4.06Å; P614-L617 HydrophobicContact CB-CB 4.44Å; P614-L617 HydrophobicContact CB-CD1 4.33Å; P614-L617 HydrophobicContact CB-CG 4.39Å; P614-L617 HydrophobicContact CG-CD1 4.08Å; P614-L617 PolarHBondContact O-N 2.67Å
618	V	72.8	Confident	76.6	Confident	87 Å²	87	71.1 Å²	71.1	53%	0.527	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-12.6	177.9	178.7	0	0	0	0	112.4	L592 P613 P614	L592-V618 HydrophobicContact CD1-CG2 4.41Å; P613-V618 HydrophobicContact CB-CG2 3.56Å; P613-V618 HydrophobicContact CG-CG2 3.6Å; P614-V618 WeakPolarHBondContact O-CG2 3.44Å; P614-V618 PolarHBondContact O-N 3.31Å
619	K	52.5	Low	76	Confident	190 Å²	190	70.2 Å²	70.2	83%	0.826	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.4	17.6	-173.4	-74.6	-170.4	176.7	-177.8	0	115.5
620	L	40.5	Very low	75.5	Confident	214 Å²	214	73.6 Å²	73.6	100%	1.12	41%	0.409	S	S	*	.			trans	-116.8	0	-177.4	-81.1	162.3	0	0	0	113

Retrieved 620 of 620 residues in 763 ms (Link to these results)

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