Z4YKQ3_MOUSE Loading...

Bardet-Biedl syndrome 12

AlphaFold DB , UniProt , Accession Z4YKQ3, Species MOUSE (Mus musculus, Mouse), Gene Bbs12, Length 593 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	86.3	Confident	92.3	Very high	79 Å²	79	49.8 Å²	49.8	39%	0.389	27%	0.268	S	S	.	.				0	-56	0	-64.1	175.9	175.6	0	0	111.1	E3 G4 L5 V470 L560 V563 L564 L567	M1-E3 VanDerWaalsContact C-N 3.32Å; M1-E3 PolarHBondContact O-N 3.43Å; M1-G4 WeakPolarHBondContact O-CA 3.37Å; M1-G4 PolarHBondContact O-N 3.19Å; M1-L5 PolarHBondContact O-N 2.9Å; M1-V470 HydrophobicContact CE-CG1 4.23Å; M1-V470 HydrophobicContact CG-CG1 3.51Å; M1-L560 HydrophobicContact CB-CD1 3.7Å; M1-L560 HydrophobicContact CB-CD2 4.4Å; M1-L560 HydrophobicContact SD-CD1 4.24Å; M1-V563 HydrophobicContact SD-CG1 4.47Å; M1-L564 HydrophobicContact SD-CD2 4.26Å; M1-L567 HydrophobicContact CE-CD1 3.95Å; M1-L567 HydrophobicContact SD-CD1 4.14Å
2	S	89.4	Confident	92.4	Very high	53 Å²	53	45.7 Å²	45.7	37%	0.371	25%	0.246	S	C	.	.	H	α-helix	trans	-56.9	-40.3	-179.8	-40.4	0	0	0	0	114.1	G4 L5 N6	S2-G4 VanDerWaalsContact C-N 3.35Å; S2-G4 PolarHBondContact O-N 3.09Å; S2-L5 PolarHBondContact O-N 3.35Å; S2-N6 WeakPolarHBondContact O-CB 2.78Å; S2-N6 VanDerWaalsContact O-CG 3.26Å; S2-N6 PolarHBondContact O-N 3.34Å; S2-N6 PolarHBondContact O-ND2 2.89Å
3	E	89.4	Confident	92.4	Very high	111 Å²	111	48 Å²	48	52%	0.519	26%	0.262	S	S	.	.	H	α-helix	trans	-60.2	-42.2	173.4	-173.9	-174.3	173.9	0	0	112.8	M1 N6 S7 R467	M1-E3 VanDerWaalsContact C-N 3.32Å; M1-E3 PolarHBondContact O-N 3.43Å; E3-N6 PolarHBondContact O-N 3.46Å; E3-S7 WeakPolarHBondContact O-CB 3.18Å; E3-S7 PolarHBondContact O-N 2.78Å; E3-R467 VanDerWaalsContact CD-NH2 3.29Å; E3-R467 IonicContact OE1-CZ 2.72Å; E3-R467 IonicContact OE1-NH1 2.72Å; E3-R467 PolarHBondContact OE1-NH1 3.5Å; E3-R467 IonicContact OE1-NH2 3.36Å; E3-R467 PolarHBondContact OE1-NH2 3.17Å; E3-R467 IonicContact OE2-CZ 3.39Å; E3-R467 IonicContact OE2-NH1 3.25Å; E3-R467 PolarHBondContact OE2-NH1 3.31Å; E3-R467 IonicContact OE2-NH2 3.58Å
4	G	91	Very high	92.2	Very high	4 Å²	4	48.9 Å²	48.9	4%	0.041	27%	0.273	C	S	.	.	H	α-helix	trans	-63.3	-45.1	177	0	0	0	0	0	111.5	M1 S2 S7 C8	M1-G4 WeakPolarHBondContact O-CA 3.37Å; M1-G4 PolarHBondContact O-N 3.19Å; S2-G4 VanDerWaalsContact C-N 3.35Å; S2-G4 PolarHBondContact O-N 3.09Å; G4-S7 PolarHBondContact O-N 3.31Å; G4-C8 PolarHBondContact O-N 3.01Å; G4-C8 PolarHBondContact O-SG 3.43Å; G4-C8 VanDerWaalsContact O-SG 3.35Å
5	L	94	Very high	92	Very high	9 Å²	9	45.7 Å²	45.7	5%	0.047	26%	0.255	C	S	.	.	H	α-helix	trans	-63.7	-42.1	176.1	179.5	61.4	0	0	0	112.2	M1 S2 S7 C8 I9 W478 W556 R557 L560	M1-L5 PolarHBondContact O-N 2.9Å; S2-L5 PolarHBondContact O-N 3.35Å; L5-S7 VanDerWaalsContact C-N 3.33Å; L5-S7 PolarHBondContact O-N 2.98Å; L5-C8 WeakPolarHBondContact O-CB 2.82Å; L5-C8 PolarHBondContact O-N 2.97Å; L5-I9 HydrophobicContact CD1-CD1 4.41Å; L5-I9 HydrophobicContact CD1-CG1 4.47Å; L5-I9 HydrophobicContact CG-CD1 4.03Å; L5-I9 WeakPolarHBondContact O-CG1 3.28Å; L5-I9 PolarHBondContact O-N 3.21Å; L5-W478 HydrophobicContact CD1-CZ2 4.29Å; L5-W556 HydrophobicContact CD1-CB 3.9Å; L5-W556 HydrophobicContact CD1-CE3 4.32Å; L5-W556 HydrophobicContact CD2-CB 4.35Å; L5-R557 HydrophobicContact CD2-CG 4.31Å; L5-L560 HydrophobicContact CB-CD2 4.02Å; L5-L560 HydrophobicContact CD2-CB 4Å; L5-L560 HydrophobicContact CD2-CD2 3.69Å; L5-L560 HydrophobicContact CD2-CG 4.5Å
6	N	94.4	Very high	92.1	Very high	78 Å²	78	45.8 Å²	45.8	42%	0.417	25%	0.253	S	S	.	.	H	α-helix	trans	-62	-42.2	176.6	-72.9	-18.8	0	0	0	111.5	S2 E3 C8 I9 E10	S2-N6 WeakPolarHBondContact O-CB 2.78Å; S2-N6 VanDerWaalsContact O-CG 3.26Å; S2-N6 PolarHBondContact O-N 3.34Å; S2-N6 PolarHBondContact O-ND2 2.89Å; E3-N6 PolarHBondContact O-N 3.46Å; N6-C8 VanDerWaalsContact C-N 3.32Å; N6-C8 PolarHBondContact O-N 3.21Å; N6-I9 WeakPolarHBondContact O-CB 3.48Å; N6-I9 PolarHBondContact O-N 3.17Å; N6-I9 VanDerWaalsContact O-N 3.15Å; N6-E10 WeakPolarHBondContact O-CG 3.49Å; N6-E10 PolarHBondContact O-N 3.42Å
7	S	93.4	Very high	92	Very high	29 Å²	29	43.2 Å²	43.2	20%	0.203	24%	0.239	C	C	.	.	H	α-helix	trans	-64.3	-36.5	175.4	-166.2	0	0	0	0	112.3	E3 G4 L5 E10 A11 H432	E3-S7 WeakPolarHBondContact O-CB 3.18Å; E3-S7 PolarHBondContact O-N 2.78Å; G4-S7 PolarHBondContact O-N 3.31Å; L5-S7 VanDerWaalsContact C-N 3.33Å; L5-S7 PolarHBondContact O-N 2.98Å; S7-E10 PolarHBondContact O-N 2.85Å; S7-A11 WeakPolarHBondContact O-CB 3.3Å; S7-A11 PolarHBondContact O-N 2.89Å; S7-H432 PolarHBondContact O-NE2 3.12Å; S7-H432 PolarHBondContact OG-NE2 3.45Å
8	C	95.4	Very high	91.9	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-61.7	-45.4	169.9	-71.8	0	0	0	0	112.3	G4 L5 N6 E10 A11 V12 C429 L433	G4-C8 PolarHBondContact O-N 3.01Å; G4-C8 PolarHBondContact O-SG 3.43Å; G4-C8 VanDerWaalsContact O-SG 3.35Å; L5-C8 WeakPolarHBondContact O-CB 2.82Å; L5-C8 PolarHBondContact O-N 2.97Å; N6-C8 VanDerWaalsContact C-N 3.32Å; N6-C8 PolarHBondContact O-N 3.21Å; C8-E10 VanDerWaalsContact C-N 3.26Å; C8-E10 PolarHBondContact O-N 3.29Å; C8-A11 PolarHBondContact O-N 3.4Å; C8-A11 VanDerWaalsContact O-N 3.13Å; C8-V12 WeakPolarHBondContact O-CG1 3.26Å; C8-V12 WeakPolarHBondContact O-CG2 3.33Å; C8-V12 PolarHBondContact O-N 3.09Å; C8-C429 HydrophobicContact CB-CB 4.17Å; C8-L433 VanDerWaalsContact SG-CG 3.51Å
9	I	94.6	Very high	91.5	Very high	20 Å²	20	41.2 Å²	41.2	10%	0.103	23%	0.229	C	C	.	.	H	α-helix	trans	-59.5	-38.9	178.8	-69.8	163.7	0	0	0	111	L5 N6 V12 I553 W556 R557	L5-I9 HydrophobicContact CD1-CD1 4.41Å; L5-I9 HydrophobicContact CD1-CG1 4.47Å; L5-I9 HydrophobicContact CG-CD1 4.03Å; L5-I9 WeakPolarHBondContact O-CG1 3.28Å; L5-I9 PolarHBondContact O-N 3.21Å; N6-I9 WeakPolarHBondContact O-CB 3.48Å; N6-I9 PolarHBondContact O-N 3.17Å; N6-I9 VanDerWaalsContact O-N 3.15Å; I9-V12 VanDerWaalsContact O-CG2 3.29Å; I9-V12 WeakPolarHBondContact O-CG2 3.19Å; I9-I553 HydrophobicContact CD1-CG2 3.74Å; I9-I553 HydrophobicContact CG1-CG2 4.05Å; I9-I553 HydrophobicContact CG2-CD1 4.16Å; I9-I553 HydrophobicContact CG2-CG2 4.29Å; I9-W556 HydrophobicContact CG1-CE3 4.38Å; I9-R557 HydrophobicContact CD1-CG 4.39Å
10	E	94.4	Very high	90.7	Very high	141 Å²	141	43.2 Å²	43.2	66%	0.659	24%	0.237	S	C	*	.	H	α-helix	trans	-66.7	-45.1	173.9	-70.7	172.4	-177.1	0	0	111.8	N6 S7 C8 V12 V13	N6-E10 WeakPolarHBondContact O-CG 3.49Å; N6-E10 PolarHBondContact O-N 3.42Å; S7-E10 PolarHBondContact O-N 2.85Å; C8-E10 VanDerWaalsContact C-N 3.26Å; C8-E10 PolarHBondContact O-N 3.29Å; E10-V12 PolarHBondContact O-N 3.45Å; E10-V13 WeakPolarHBondContact O-CB 3.49Å; E10-V13 WeakPolarHBondContact O-CG2 3.43Å; E10-V13 PolarHBondContact O-N 2.68Å
11	A	92.7	Very high	89.6	Confident	24 Å²	24	46.5 Å²	46.5	20%	0.198	25%	0.254	C	S	.	.	H	α-helix	trans	-62.6	-41.4	-179.6	0	0	0	0	0	112.6	S7 C8 V13 S14	S7-A11 WeakPolarHBondContact O-CB 3.3Å; S7-A11 PolarHBondContact O-N 2.89Å; C8-A11 PolarHBondContact O-N 3.4Å; C8-A11 VanDerWaalsContact O-N 3.13Å; A11-V13 PolarHBondContact O-N 2.98Å; A11-V13 VanDerWaalsContact O-N 3.14Å; A11-S14 PolarHBondContact O-N 3.39Å; A11-S14 PolarHBondContact O-OG 3.14Å; A11-S14 VanDerWaalsContact O-OG 3.07Å
12	V	94.2	Very high	89	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-69.4	-11.4	-176.9	-61.9	0	0	0	0	114.1	C8 I9 E10 S14 L15 F419 V425 L428 C429 W556	C8-V12 WeakPolarHBondContact O-CG1 3.26Å; C8-V12 WeakPolarHBondContact O-CG2 3.33Å; C8-V12 PolarHBondContact O-N 3.09Å; I9-V12 VanDerWaalsContact O-CG2 3.29Å; I9-V12 WeakPolarHBondContact O-CG2 3.19Å; E10-V12 PolarHBondContact O-N 3.45Å; V12-S14 PolarHBondContact O-N 3.44Å; V12-L15 PolarHBondContact O-N 3.46Å; V12-F419 HydrophobicContact CB-CE1 4.14Å; V12-F419 HydrophobicContact CB-CZ 4.35Å; V12-F419 HydrophobicContact CG2-CE1 3.96Å; V12-F419 HydrophobicContact CG2-CZ 3.71Å; V12-F419 WeakPolarHBondContact O-CE1 3.42Å; V12-V425 HydrophobicContact CB-CB 4.47Å; V12-V425 HydrophobicContact CB-CG1 4.3Å; V12-V425 HydrophobicContact CG1-CB 4.06Å; V12-V425 HydrophobicContact CG1-CG1 4.38Å; V12-L428 HydrophobicContact CG1-CD2 4.22Å; V12-C429 VanDerWaalsContact CG1-SG 3.58Å; V12-W556 HydrophobicContact CG1-CH2 4.33Å; V12-W556 HydrophobicContact CG1-CZ3 4.5Å; V12-W556 HydrophobicContact CG2-CZ3 4.28Å
13	V	92.4	Very high	88.2	Confident	76 Å²	76	41.8 Å²	41.8	46%	0.461	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-56.2	-32.6	174.2	179.1	0	0	0	0	111.3	E10 A11 L15 Q16	E10-V13 WeakPolarHBondContact O-CB 3.49Å; E10-V13 WeakPolarHBondContact O-CG2 3.43Å; E10-V13 PolarHBondContact O-N 2.68Å; A11-V13 PolarHBondContact O-N 2.98Å; A11-V13 VanDerWaalsContact O-N 3.14Å; V13-L15 PolarHBondContact O-N 3.42Å; V13-Q16 WeakPolarHBondContact O-CB 3.5Å; V13-Q16 WeakPolarHBondContact O-CG 3.26Å; V13-Q16 PolarHBondContact O-N 3.13Å; V13-Q16 VanDerWaalsContact O-N 3.12Å
14	S	89.4	Confident	87	Confident	60 Å²	60	41.5 Å²	41.5	42%	0.42	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-66.2	-15.6	177.5	68.4	0	0	0	0	114.3	A11 V12 S516	A11-S14 PolarHBondContact O-N 3.39Å; A11-S14 PolarHBondContact O-OG 3.14Å; A11-S14 VanDerWaalsContact O-OG 3.07Å; V12-S14 PolarHBondContact O-N 3.44Å; S14-S516 WeakPolarHBondContact OG-CB 3.44Å
15	L	89.7	Confident	85.4	Confident	1 Å²	1	46.9 Å²	46.9	1%	0.005	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-101.9	10.1	177.1	-59.2	-175.3	0	0	0	112.8	V12 V13 L420 V425 L428 I519 L520	V12-L15 PolarHBondContact O-N 3.46Å; V13-L15 PolarHBondContact O-N 3.42Å; L15-L420 HydrophobicContact CD2-CD1 4.33Å; L15-L420 PolarHBondContact O-N 3.06Å; L15-V425 HydrophobicContact CB-CG1 4.06Å; L15-V425 HydrophobicContact CD1-CG1 3.97Å; L15-L428 HydrophobicContact CD1-CB 3.86Å; L15-L428 HydrophobicContact CD1-CD2 3.48Å; L15-L428 VanDerWaalsContact CD1-CD2 3.48Å; L15-L428 HydrophobicContact CD1-CG 4.3Å; L15-L428 HydrophobicContact CG-CD2 3.65Å; L15-I519 HydrophobicContact CD1-CD1 4.28Å; L15-I519 HydrophobicContact CD1-CG2 4.05Å; L15-I519 HydrophobicContact CD2-CB 4.47Å; L15-I519 HydrophobicContact CD2-CG2 4.13Å; L15-L520 HydrophobicContact CD2-CD1 4.37Å; L15-L520 HydrophobicContact CD2-CD2 3.73Å; L15-L520 HydrophobicContact CD2-CG 3.76Å
16	Q	92.8	Very high	83.9	Confident	47 Å²	47	47.6 Å²	47.6	22%	0.22	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	129.8	171.9	-67.5	178.5	18.6	0	0	109.8	V13 K417 V418 F419 V549	V13-Q16 WeakPolarHBondContact O-CB 3.5Å; V13-Q16 WeakPolarHBondContact O-CG 3.26Å; V13-Q16 PolarHBondContact O-N 3.13Å; V13-Q16 VanDerWaalsContact O-N 3.12Å; Q16-K417 VanDerWaalsContact OE1-NZ 3.1Å; Q16-V418 CarbonylContact C-O 3.58Å; Q16-V418 WeakPolarHBondContact CA-O 3.43Å; Q16-F419 HydrophobicContact CG-CD1 3.72Å; Q16-F419 HydrophobicContact CG-CE1 3.33Å; Q16-F419 HydrophobicContact CG-CZ 4.24Å; Q16-V549 HydrophobicContact CG-CG2 4.42Å
17	V	89.9	Confident	81.7	Confident	2 Å²	2	49 Å²	49	1%	0.012	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	116.3	172.8	179.4	0	0	0	0	107.4	L148 C150 K417 V418 L420 Y546	V17-L148 HydrophobicContact CG2-CB 4.23Å; V17-C150 HydrophobicContact CG1-CB 4.16Å; V17-K417 WeakPolarHBondContact O-CA 3.24Å; V17-V418 HydrophobicContact CB-CG2 4.14Å; V17-V418 PolarHBondContact N-O 2.77Å; V17-V418 PolarHBondContact O-N 2.96Å; V17-L420 HydrophobicContact CG2-CD2 3.57Å; V17-L420 HydrophobicContact CG2-CG 4.11Å; V17-Y546 HydrophobicContact CG1-CE1 4.44Å; V17-Y546 HydrophobicContact CG2-CE1 4.35Å
18	P	89.9	Confident	79.2	Confident	37 Å²	37	54.4 Å²	54.4	24%	0.24	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	146.8	176.2	30.9	-34.6	0	0	0	110.7	C150	P18-C150 PolarHBondContact O-N 3.08Å
19	I	85.9	Confident	76.5	Confident	11 Å²	11	60.1 Å²	60.1	6%	0.056	32%	0.324	C	S	.	.	B	Isolated β-bridge	trans	-104.7	118.4	177.1	-61.6	175.8	0	0	0	107.1	V22 L156 A412 E416 V418	I19-V22 HydrophobicContact CG2-CB 4.24Å; I19-V22 HydrophobicContact CG2-CG2 3.25Å; I19-L156 HydrophobicContact CD1-CD1 3.85Å; I19-L156 HydrophobicContact CD1-CD2 3.9Å; I19-L156 HydrophobicContact CG1-CD1 4.43Å; I19-L156 HydrophobicContact CG2-CD2 4.26Å; I19-A412 HydrophobicContact CD1-CB 3.97Å; I19-A412 WeakPolarHBondContact CD1-O 3.32Å; I19-E416 WeakPolarHBondContact CB-O 3.43Å; I19-E416 PolarHBondContact N-O 3.12Å; I19-V418 HydrophobicContact CD1-CG1 3.94Å; I19-V418 HydrophobicContact CD1-CG2 4.34Å; I19-V418 HydrophobicContact CG1-CG2 4.38Å
20	H	75.6	Confident	73.6	Confident	82 Å²	82	64.2 Å²	64.2	38%	0.38	35%	0.354	S	S	.	.			trans	-128.2	136.1	-178.3	-65.7	-46.4	0	0	0	110.9	V22 C150	H20-V22 PolarHBondContact O-N 2.83Å; H20-C150 PolarHBondContact N-O 3.11Å
21	N	66.6	Low	70.5	Confident	112 Å²	112	64.1 Å²	64.1	60%	0.599	36%	0.363	S	S	*	.			trans	51.7	32.8	164.6	-72.1	23.9	0	0	0	114.8	F23 D24	N21-F23 PolarHBondContact O-N 2.91Å; N21-F23 VanDerWaalsContact O-N 3.08Å; N21-D24 HydrophobicContact CB-CB 4.34Å; N21-D24 VanDerWaalsContact CB-OD2 3.24Å; N21-D24 WeakPolarHBondContact CB-OD2 3.3Å; N21-D24 VanDerWaalsContact CG-OD2 3.25Å; N21-D24 PolarHBondContact ND2-OD2 3.24Å; N21-D24 WeakPolarHBondContact O-CB 3.41Å; N21-D24 PolarHBondContact O-N 2.64Å
22	V	73.7	Confident	67.5	Low	4 Å²	4	68.8 Å²	68.8	2%	0.024	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-21.6	-173.8	165.6	0	0	0	0	113.1	I19 H20 F153	I19-V22 HydrophobicContact CG2-CB 4.24Å; I19-V22 HydrophobicContact CG2-CG2 3.25Å; H20-V22 PolarHBondContact O-N 2.83Å; V22-F153 HydrophobicContact CG1-CB 3.29Å; V22-F153 HydrophobicContact CG1-CD2 3.42Å; V22-F153 VanDerWaalsContact CG1-CD2 3.42Å; V22-F153 HydrophobicContact CG1-CG 3.72Å
23	F	73.3	Confident	64.8	Low	30 Å²	30	78.1 Å²	78.1	13%	0.132	43%	0.426	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-12.4	178.2	-57.8	-71.5	0	0	0	113.8	N21 H25 M26 V175 W179 F193 L413	N21-F23 PolarHBondContact O-N 2.91Å; N21-F23 VanDerWaalsContact O-N 3.08Å; F23-H25 PolarHBondContact O-N 2.61Å; F23-M26 HydrophobicContact CD1-CG 4.41Å; F23-M26 HydrophobicContact CD1-SD 3.92Å; F23-M26 HydrophobicContact CE1-SD 4.4Å; F23-M26 WeakPolarHBondContact O-CB 3.34Å; F23-M26 PolarHBondContact O-N 3.03Å; F23-M26 VanDerWaalsContact O-N 3.15Å; F23-V175 HydrophobicContact CE1-CG1 3.91Å; F23-V175 HydrophobicContact CZ-CG1 4.23Å; F23-W179 HydrophobicContact CB-CD2 4.5Å; F23-W179 HydrophobicContact CB-CH2 4.39Å; F23-W179 HydrophobicContact CB-CZ2 3.85Å; F23-W179 HydrophobicContact CD1-CD2 4.29Å; F23-W179 HydrophobicContact CD1-CG 4.31Å; F23-W179 HydrophobicContact CG-CD2 4.4Å; F23-W179 HydrophobicContact CG-CZ2 4.49Å; F23-F193 HydrophobicContact CD2-CB 4.49Å; F23-F193 HydrophobicContact CD2-CD1 4.38Å; F23-F193 HydrophobicContact CE1-CD1 4.05Å; F23-F193 HydrophobicContact CE1-CE1 4.07Å; F23-F193 HydrophobicContact CE2-CB 4.24Å; F23-F193 AromaticContact CE2-CD1 3.5Å; F23-F193 HydrophobicContact CE2-CD1 3.5Å; F23-F193 VanDerWaalsContact CE2-CD1 3.5Å; F23-F193 HydrophobicContact CE2-CE1 4.23Å; F23-F193 HydrophobicContact CE2-CG 4.22Å; F23-F193 AromaticContact CZ-CD1 3.3Å; F23-F193 HydrophobicContact CZ-CD1 3.3Å; F23-F193 AromaticContact CZ-CE1 3.56Å; F23-F193 HydrophobicContact CZ-CE1 3.56Å; F23-F193 HydrophobicContact CZ-CG 4.3Å; F23-L413 HydrophobicContact CE2-CD2 4.09Å; F23-L413 HydrophobicContact CZ-CD1 4.16Å; F23-L413 HydrophobicContact CZ-CD2 3.8Å
24	D	63.6	Low	61.7	Low	104 Å²	104	82.8 Å²	82.8	56%	0.556	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-23.8	-178.1	-69.9	2.5	0	0	0	112.4	N21	N21-D24 HydrophobicContact CB-CB 4.34Å; N21-D24 VanDerWaalsContact CB-OD2 3.24Å; N21-D24 WeakPolarHBondContact CB-OD2 3.3Å; N21-D24 VanDerWaalsContact CG-OD2 3.25Å; N21-D24 PolarHBondContact ND2-OD2 3.24Å; N21-D24 WeakPolarHBondContact O-CB 3.41Å; N21-D24 PolarHBondContact O-N 2.64Å
25	H	58.1	Low	59	Low	118 Å²	118	87.6 Å²	87.6	55%	0.546	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	2	-179.8	-62.7	-44.4	0	0	0	114	F23 D27	F23-H25 PolarHBondContact O-N 2.61Å; H25-D27 VanDerWaalsContact C-N 3.29Å; H25-D27 PolarHBondContact O-N 3.33Å
26	M	61.7	Low	56.1	Low	24 Å²	24	94.5 Å²	94.5	12%	0.118	49%	0.492	C	S	.	.	G	3₁₀ helix	trans	-72.4	-19.8	-177.3	-93.7	-145.1	54.2	0	0	114.2	F23 F153 R176	F23-M26 HydrophobicContact CD1-CG 4.41Å; F23-M26 HydrophobicContact CD1-SD 3.92Å; F23-M26 HydrophobicContact CE1-SD 4.4Å; F23-M26 WeakPolarHBondContact O-CB 3.34Å; F23-M26 PolarHBondContact O-N 3.03Å; F23-M26 VanDerWaalsContact O-N 3.15Å; M26-F153 HydrophobicContact SD-CD1 4.01Å; M26-F153 HydrophobicContact SD-CE1 4.49Å; M26-R176 HydrophobicContact CE-CB 3.67Å; M26-R176 VanDerWaalsContact CE-CD 3.42Å; M26-R176 HydrophobicContact CE-CG 3.25Å; M26-R176 HydrophobicContact SD-CG 3.88Å
27	D	48.7	Very low	53.4	Low	108 Å²	108	94.5 Å²	94.5	58%	0.578	50%	0.496	S	S	*	.	G	3₁₀ helix	trans	-90.9	-3.7	-171.8	-69.7	-25.1	0	0	0	115.2	H25 T29	H25-D27 VanDerWaalsContact C-N 3.29Å; H25-D27 PolarHBondContact O-N 3.33Å; D27-T29 VanDerWaalsContact C-N 3.28Å; D27-T29 PolarHBondContact O-N 3.1Å
28	N	39.7	Very low	50.6	Low	142 Å²	142	98.1 Å²	98.1	76%	0.759	52%	0.518	S	S	*	.	G	3₁₀ helix	trans	-79.7	-1.3	-175.9	-83.4	-11.9	0	0	0	115.3
29	T	39.1	Very low	47.6	Very low	120 Å²	120	101.8 Å²	101.8	74%	0.736	54%	0.535	S	S	*	.	S	Bend	trans	-106.8	71.7	166.2	45.8	0	0	0	0	109.5	D27 T31	D27-T29 VanDerWaalsContact C-N 3.28Å; D27-T29 PolarHBondContact O-N 3.1Å; T29-T31 PolarHBondContact O-N 3.41Å
30	S	35.1	Very low	44.8	Very low	105 Å²	105	103.5 Å²	103.5	73%	0.734	55%	0.551	S	S	*	*			trans	-70	95.4	171.3	63.4	0	0	0	0	110.1
31	T	28.9	Very low	42.4	Very low	139 Å²	139	105.9 Å²	105.9	85%	0.853	57%	0.571	S	S	*	*			trans	-107.1	112.2	156.2	-2.3	0	0	0	0	108.3	T29	T29-T31 PolarHBondContact O-N 3.41Å
32	V	30	Very low	40.5	Very low	123 Å²	123	104.8 Å²	104.8	75%	0.745	57%	0.565	S	S	*	*			trans	-61.4	125	-176.2	167.9	0	0	0	0	111.6
33	Y	36.5	Very low	38.1	Very low	196 Å²	196	110.5 Å²	110.5	77%	0.769	60%	0.604	S	S	*	*			trans	19.9	97.2	149.8	-60.6	-86.3	0	0	0	119.2
34	K	26.6	Very low	35.8	Very low	173 Å²	173	114 Å²	114	75%	0.752	63%	0.63	S	S	*	*			trans	-149.5	149.6	133	-143.5	173.5	-177.2	-177.4	0	106.8	E36	K34-E36 HydrophobicContact CB-CG 4.45Å; K34-E36 PolarHBondContact O-N 3.44Å
35	L	33.5	Very low	33.9	Very low	161 Å²	161	118.1 Å²	118.1	84%	0.843	64%	0.643	S	S	*	*			trans	-62.8	73.4	176	-167.8	79.3	0	0	0	109.5
36	E	27.8	Very low	32.4	Very low	146 Å²	146	121.3 Å²	121.3	68%	0.682	66%	0.663	S	S	*	*			trans	-119.7	119.2	-179.9	-79.9	-177.6	-178.8	0	0	108	K34 V38	K34-E36 HydrophobicContact CB-CG 4.45Å; K34-E36 PolarHBondContact O-N 3.44Å; E36-V38 PolarHBondContact O-N 2.93Å
37	T	36.7	Very low	30.7	Very low	48 Å²	48	128.5 Å²	128.5	29%	0.294	70%	0.696	S	S	.	*			trans	-40.4	124.9	166.9	21.6	0	0	0	0	110.6	N39 R214 W359	T37-N39 VanDerWaalsContact C-N 3.35Å; T37-N39 PolarHBondContact O-N 3.27Å; T37-R214 PolarHBondContact OG1-NH1 3.36Å; T37-W359 HydrophobicContact CG2-CH2 3.79Å; T37-W359 HydrophobicContact CG2-CZ3 3.85Å
38	V	30.6	Very low	29.6	Very low	78 Å²	78	130.7 Å²	130.7	47%	0.473	71%	0.708	S	S	.	*			trans	-65.2	98.7	172.6	-179.6	0	0	0	0	107.5	E36 A40	E36-V38 PolarHBondContact O-N 2.93Å; V38-A40 PolarHBondContact O-N 3.3Å
39	N	27.6	Very low	28.9	Very low	113 Å²	113	129.9 Å²	129.9	60%	0.604	71%	0.711	S	S	*	*			trans	-69.9	108.3	169	-77.4	-18.2	0	0	0	107.4	T37 T41	T37-N39 VanDerWaalsContact C-N 3.35Å; T37-N39 PolarHBondContact O-N 3.27Å; N39-T41 VanDerWaalsContact C-N 3.27Å; N39-T41 PolarHBondContact O-N 3.13Å
40	A	27.5	Very low	28.4	Very low	48 Å²	48	129.8 Å²	129.8	40%	0.397	72%	0.715	S	S	.	*			trans	-70.2	92.2	161.5	0	0	0	0	0	107	V38 L42	V38-A40 PolarHBondContact O-N 3.3Å; A40-L42 PolarHBondContact O-N 3.13Å
41	T	24.2	Very low	27.9	Very low	131 Å²	131	128.3 Å²	128.3	80%	0.804	72%	0.716	S	S	*	*			trans	-64	104.5	174.7	-15.2	0	0	0	0	108.3	N39 C43	N39-T41 VanDerWaalsContact C-N 3.27Å; N39-T41 PolarHBondContact O-N 3.13Å; T41-C43 PolarHBondContact O-N 3.34Å
42	L	28.1	Very low	27.7	Very low	89 Å²	89	127.9 Å²	127.9	47%	0.466	72%	0.719	S	S	.	*			trans	-77.3	112.5	169.7	-70.7	157.8	0	0	0	107.6	A40 P44 T211	A40-L42 PolarHBondContact O-N 3.13Å; L42-P44 WeakPolarHBondContact O-CD 3.29Å; L42-T211 HydrophobicContact CD1-CG2 4.04Å
43	C	22.5	Very low	27.4	Very low	125 Å²	125	125.1 Å²	125.1	85%	0.845	72%	0.715	S	S	*	*			trans	-76.7	120.2	167.2	-78.1	0	0	0	0	109.3	T41	T41-C43 PolarHBondContact O-N 3.34Å
44	P	24.4	Very low	26.9	Very low	103 Å²	103	123.6 Å²	123.6	67%	0.669	72%	0.719	S	S	*	*			trans	-93.9	123.6	169.5	32.4	-20.1	0	0	0	109.3	L42	L42-P44 WeakPolarHBondContact O-CD 3.29Å
45	F	25.3	Very low	26.8	Very low	191 Å²	191	122.1 Å²	122.1	84%	0.838	72%	0.719	S	S	*	*			trans	61.9	97.3	164.8	-52.7	-76.6	0	0	0	117.7	Q47	F45-Q47 PolarHBondContact O-N 3.24Å
46	L	25.8	Very low	26.4	Very low	184 Å²	184	123.2 Å²	123.2	96%	0.963	72%	0.72	S	S	*	*			trans	-72.5	104.3	149.5	-90.2	157.8	0	0	0	107.7
47	Q	26.6	Very low	26.3	Very low	176 Å²	176	123.8 Å²	123.8	82%	0.822	72%	0.723	S	S	*	*			trans	-84.4	132.3	158.4	-77.4	-178.6	-17.9	0	0	108.3	F45	F45-Q47 PolarHBondContact O-N 3.24Å
48	D	24.3	Very low	25.7	Very low	153 Å²	153	130.5 Å²	130.5	82%	0.818	75%	0.748	S	S	*	*			trans	-54	137.6	178.6	-71	-47.2	0	0	0	112.9	S50	D48-S50 PolarHBondContact O-N 3.18Å
49	P	25.6	Very low	25.4	Very low	126 Å²	126	137 Å²	137	82%	0.818	76%	0.764	S	S	*	*			trans	-87.2	96.5	169.5	32.8	-27.4	0	0	0	109.8	G51	P49-G51 PolarHBondContact O-N 3.12Å
50	S	29.2	Very low	25.2	Very low	118 Å²	118	138.4 Å²	138.4	83%	0.825	77%	0.772	S	S	*	*			trans	-80.7	108.8	157.8	61.7	0	0	0	0	109.1	D48	D48-S50 PolarHBondContact O-N 3.18Å
51	G	23.3	Very low	25.1	Very low	73 Å²	73	144.7 Å²	144.7	75%	0.753	79%	0.79	S	S	*	*			trans	-81.6	137.5	179.5	0	0	0	0	0	114.5	P49	P49-G51 PolarHBondContact O-N 3.12Å
52	S	26.5	Very low	25.1	Very low	130 Å²	130	146.3 Å²	146.3	91%	0.909	79%	0.786	S	S	*	*			trans	141.1	133	142.9	85.5	0	0	0	0	107.9
53	G	23.5	Very low	24.8	Very low	66 Å²	66	149.2 Å²	149.2	68%	0.68	80%	0.802	S	S	*	*			cis	166.9	139.4	1.5	0	0	0	0	0	106.7
54	L	24.9	Very low	24.9	Very low	163 Å²	163	147.5 Å²	147.5	85%	0.853	80%	0.797	S	S	*	*			trans	78.7	132.1	160.2	-92.4	83.4	0	0	0	122.9
55	L	25.4	Very low	24.9	Very low	142 Å²	142	148.9 Å²	148.9	74%	0.743	80%	0.804	S	S	*	*			trans	89.9	89.3	142.1	-74.3	164.1	0	0	0	120.6
56	Q	25.6	Very low	24.9	Very low	185 Å²	185	144.5 Å²	144.5	86%	0.864	80%	0.797	S	S	*	*				10.8	109.2	120.9	-166	172.3	23	0	0	117.5
57	E	24.3	Very low	25	Very low	157 Å²	157	142 Å²	142	73%	0.734	79%	0.791	S	S	*	*			trans	-152.9	138.7	135.7	-137.8	-172	154.4	0	0	112	R59	E57-R59 IonicContact OE1-CZ 3.75Å; E57-R59 IonicContact OE1-NE 3.92Å; E57-R59 IonicContact OE1-NH2 2.83Å; E57-R59 PolarHBondContact OE1-NH2 3.29Å
58	K	24.4	Very low	24.9	Very low	190 Å²	190	141 Å²	141	83%	0.826	79%	0.791	S	S	*	*			trans	-85.3	132	179	-157.2	-176.3	-168.2	-178.6	0	107.7
59	R	23.6	Very low	24.9	Very low	213 Å²	213	141.5 Å²	141.5	80%	0.804	79%	0.793	S	S	*	*			trans	-169.9	127	151.8	-112	172.4	-102	-168.2	-0.7	113.5	E57	E57-R59 IonicContact OE1-CZ 3.75Å; E57-R59 IonicContact OE1-NE 3.92Å; E57-R59 IonicContact OE1-NH2 2.83Å; E57-R59 PolarHBondContact OE1-NH2 3.29Å
60	D	23.8	Very low	24.8	Very low	144 Å²	144	139.7 Å²	139.7	77%	0.77	78%	0.783	S	S	*	*			trans	-66.4	147.9	160.5	-62.4	-60.2	0	0	0	111.1
61	F	25.5	Very low	24.5	Very low	179 Å²	179	139.1 Å²	139.1	79%	0.785	77%	0.774	S	S	*	*				164.2	127.9	123.8	-102.6	-84.2	0	0	0	113.1
62	K	23.6	Very low	24.4	Very low	166 Å²	166	147 Å²	147	72%	0.722	78%	0.783	S	S	*	*			trans	41.6	134.3	139	-77.6	-175.6	-179.7	-179.6	0	123.6
63	D	23.4	Very low	24.2	Very low	150 Å²	150	145.5 Å²	145.5	80%	0.802	77%	0.773	S	S	*	*			trans	33	123	134.5	-63.1	-32.3	0	0	0	119.5
64	A	23.6	Very low	24.3	Very low	88 Å²	88	150.4 Å²	150.4	73%	0.727	78%	0.782	S	S	*	*				177.9	128	111.3	0	0	0	0	0	113.3
65	T	24.7	Very low	24.3	Very low	133 Å²	133	148.4 Å²	148.4	82%	0.816	78%	0.782	S	S	*	*			trans	59.7	114.6	141.2	40.3	0	0	0	0	122.4
66	S	24.9	Very low	24.2	Very low	99 Å²	99	144.8 Å²	144.8	69%	0.692	78%	0.779	S	S	*	*			trans	-52	169.2	150.1	56.7	0	0	0	0	114.6
67	P	28.2	Very low	24.1	Very low	131 Å²	131	148.2 Å²	148.2	85%	0.851	78%	0.784	S	S	*	*				-137.9	145.5	94.6	32.6	-17.4	0	0	0	115.8
68	L	24.7	Very low	24.1	Very low	155 Å²	155	150.1 Å²	150.1	81%	0.812	79%	0.792	S	S	*	*			trans	-69.9	152.6	161.5	-92.3	117.6	0	0	0	112.6
69	L	24.3	Very low	24.1	Very low	164 Å²	164	145.9 Å²	145.9	86%	0.859	79%	0.793	S	S	*	*			trans	161.8	139.7	136.1	-90.9	148.6	0	0	0	107.6
70	S	23.6	Very low	24.1	Very low	87 Å²	87	144.8 Å²	144.8	61%	0.608	80%	0.797	S	S	*	*			cis	-164.4	126.1	16.2	46.6	0	0	0	0	108.4
71	T	23.1	Very low	24.2	Very low	106 Å²	106	143 Å²	143	65%	0.65	80%	0.796	S	S	*	*				45.1	116.2	99.2	21.6	0	0	0	0	117.1
72	Y	21.6	Very low	24.2	Very low	240 Å²	240	140.7 Å²	140.7	94%	0.941	80%	0.798	S	S	*	*				-138.6	124	129.2	-88.4	-76.8	0	0	0	109.8
73	S	21.7	Very low	24.3	Very low	98 Å²	98	141.3 Å²	141.3	69%	0.685	80%	0.801	S	S	*	*			trans	-134.2	131.2	175.8	54.2	0	0	0	0	108.2
74	L	25.7	Very low	24.3	Very low	169 Å²	169	144 Å²	144	89%	0.885	81%	0.806	S	S	*	*			trans	-145.1	105.7	157.5	-79.1	167.9	0	0	0	104.7
75	S	25.7	Very low	24.3	Very low	120 Å²	120	149.6 Å²	149.6	84%	0.839	82%	0.815	S	S	*	*				54.1	125.3	82.9	-176.1	0	0	0	0	111.9
76	G	23.3	Very low	24.3	Very low	66 Å²	66	151.7 Å²	151.7	68%	0.68	81%	0.812	S	S	*	*			cis	156.5	133.8	7.2	0	0	0	0	0	107.6
77	R	22.2	Very low	24.3	Very low	257 Å²	257	153.3 Å²	153.3	97%	0.97	82%	0.821	S	S	*	*			trans	-161.7	128.4	151.5	-112.9	-178.1	-157.4	-144.9	4.6	110.6
78	H	24.3	Very low	24.1	Very low	197 Å²	197	155.6 Å²	155.6	91%	0.912	82%	0.82	S	S	*	*			trans	-68.3	144.1	178.9	-82.2	-92.5	0	0	0	112.4
79	A	25	Very low	24	Very low	102 Å²	102	155.6 Å²	155.6	84%	0.843	82%	0.821	S	S	*	*			trans	-137.7	135	153.4	0	0	0	0	0	109.2
80	E	24.3	Very low	24	Very low	190 Å²	190	156 Å²	156	89%	0.888	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-70.6	153	-165.3	-65.4	168.7	135	0	0	113.9
81	S	25.3	Very low	24.1	Very low	106 Å²	106	159.1 Å²	159.1	74%	0.741	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-80.5	133.8	170.6	44.3	0	0	0	0	110.7
82	P	25.6	Very low	24.1	Very low	130 Å²	130	163.4 Å²	163.4	84%	0.844	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-81.5	131.1	168.4	17.7	-8.1	0	0	0	110.9
83	K	25.6	Very low	24.1	Very low	180 Å²	180	156.8 Å²	156.8	78%	0.783	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-76.4	148.7	-177.8	-69.8	169.4	178	170.8	0	112.2
84	F	23.7	Very low	24.1	Very low	206 Å²	206	161.8 Å²	161.8	90%	0.904	84%	0.843	S	S	*	*			trans	-36.9	138.2	162.9	-70.7	-94.7	0	0	0	115
85	F	23.9	Very low	24.1	Very low	206 Å²	206	161.7 Å²	161.7	90%	0.904	84%	0.835	S	S	*	*			trans	-116.7	114.9	156.2	-84	-81	0	0	0	110.5
86	K	24.8	Very low	24	Very low	177 Å²	177	162.8 Å²	162.8	77%	0.77	83%	0.831	S	S	*	*			trans	-76.8	149.7	159	-70.5	176.5	173.5	-178.9	0	108.8
87	P	24.5	Very low	24	Very low	133 Å²	133	165.3 Å²	165.3	86%	0.864	83%	0.834	S	S	*	*			trans	-95	113.7	155.2	22.3	-6.7	0	0	0	109.4
88	Q	23.5	Very low	24.1	Very low	178 Å²	178	160 Å²	160	83%	0.832	82%	0.824	S	S	*	*			trans	-104.2	132.3	158.5	-98.7	178.8	-35.1	0	0	108.4
89	N	23.5	Very low	24.1	Very low	156 Å²	156	159.7 Å²	159.7	83%	0.834	82%	0.823	S	S	*	*			trans	-48.8	145.5	168.9	-76.5	-25.5	0	0	0	112
90	N	24.2	Very low	24.1	Very low	171 Å²	171	160.3 Å²	160.3	91%	0.914	82%	0.816	S	S	*	*			trans	-141.6	125.7	141.4	-90.8	-28.8	0	0	0	110.8
91	L	23.8	Very low	24	Very low	154 Å²	154	159.4 Å²	159.4	81%	0.806	82%	0.816	S	S	*	*			trans	-73.7	131.4	166.9	-145.6	100.7	0	0	0	107.1
92	E	23.3	Very low	24	Very low	195 Å²	195	162.8 Å²	162.8	91%	0.911	82%	0.818	S	S	*	*			trans	-149.8	146.8	149.5	-120.4	174.1	-155.1	0	0	111
93	T	22.5	Very low	23.9	Very low	102 Å²	102	163.5 Å²	163.5	63%	0.626	81%	0.814	S	S	*	*			trans	-113.2	130.3	-151.6	-47.2	0	0	0	0	107.7
94	E	22.5	Very low	24.1	Very low	203 Å²	203	162.2 Å²	162.2	95%	0.949	82%	0.816	S	S	*	*			trans	-152.8	149.3	149.7	-121.2	176.8	-169.6	0	0	112.5
95	K	24.5	Very low	24.2	Very low	167 Å²	167	160 Å²	160	73%	0.726	81%	0.813	S	S	*	*			trans	-114	159	-150	-85.1	175.9	167.9	168.7	0	111.6
96	N	24.2	Very low	24.8	Very low	142 Å²	142	161.1 Å²	161.1	76%	0.759	81%	0.813	S	S	*	*			trans	83.3	137.2	157.6	-48.6	-35.5	0	0	0	114.6
97	T	23.8	Very low	24.9	Very low	120 Å²	120	159 Å²	159	74%	0.736	82%	0.815	S	S	*	*			cis	-166	135.7	18.9	-15.7	0	0	0	0	109.9
98	L	23.6	Very low	25.3	Very low	144 Å²	144	159.3 Å²	159.3	75%	0.754	81%	0.809	S	S	*	*			trans	34	120.4	142.9	-81.8	148	0	0	0	120.8
99	Q	24.6	Very low	25.4	Very low	191 Å²	191	155.8 Å²	155.8	89%	0.893	80%	0.804	S	S	*	*				-169.4	129.3	101.6	-110.3	171.6	-7.7	0	0	114.9
100	V	23.7	Very low	25.7	Very low	116 Å²	116	156.2 Å²	156.2	70%	0.703	80%	0.799	S	S	*	*			trans	-33.4	127.2	157.5	175.2	0	0	0	0	113.7
101	L	23.4	Very low	26	Very low	170 Å²	170	153.4 Å²	153.4	89%	0.89	79%	0.792	S	S	*	*			trans	-151.1	110.5	134.3	-137.9	94.9	0	0	0	110.9
102	K	25.4	Very low	26.2	Very low	177 Å²	177	155 Å²	155	77%	0.77	79%	0.792	S	S	*	*			trans	-62.8	129.6	158.3	-78.9	173	168.9	176.6	0	108.1
103	N	23.9	Very low	26.5	Very low	145 Å²	145	155 Å²	155	78%	0.775	79%	0.789	S	S	*	*				174.1	143.8	116.6	-89.1	-17.9	0	0	0	111.4
104	N	28.7	Very low	26.8	Very low	153 Å²	153	156 Å²	156	82%	0.818	80%	0.8	S	S	*	*			trans	-32.2	131.1	164.2	-59.8	-38.9	0	0	0	112.8
105	L	26.5	Very low	27.2	Very low	160 Å²	160	150.3 Å²	150.3	84%	0.838	79%	0.788	S	S	*	*			trans	-159.8	126	142.6	-100.6	154.5	0	0	0	107.7	T107	L105-T107 PolarHBondContact O-N 3.28Å
106	Y	36.5	Very low	27.6	Very low	230 Å²	230	149.8 Å²	149.8	90%	0.902	79%	0.792	S	S	*	*			trans	-41.8	125.2	162.4	-88	-107.6	0	0	0	110.1
107	T	26	Very low	28	Very low	132 Å²	132	147.6 Å²	147.6	81%	0.81	79%	0.794	S	S	*	*			trans	-131.2	115.3	158.1	39.5	0	0	0	0	109.3	L105 S109	L105-T107 PolarHBondContact O-N 3.28Å; T107-S109 PolarHBondContact O-N 2.83Å
108	D	32.4	Very low	28.7	Very low	139 Å²	139	149.4 Å²	149.4	74%	0.743	79%	0.794	S	S	*	*			trans	-42.2	126.5	167.5	-77	-50	0	0	0	112	F110	D108-F110 HydrophobicContact CB-CD2 4.1Å; D108-F110 HydrophobicContact CB-CE2 4.35Å
109	S	27.4	Very low	29.4	Very low	105 Å²	105	146.2 Å²	146.2	73%	0.734	78%	0.783	S	S	*	*			trans	-123.1	89.5	155.8	169	0	0	0	0	106.6	T107 C111	T107-S109 PolarHBondContact O-N 2.83Å; S109-C111 PolarHBondContact O-N 3.36Å
110	F	29.5	Very low	30.1	Very low	165 Å²	165	148.1 Å²	148.1	72%	0.724	78%	0.782	S	S	*	*			trans	-65.8	82.6	168.3	-88.2	-89.9	0	0	0	109.5	D108 K112	D108-F110 HydrophobicContact CB-CD2 4.1Å; D108-F110 HydrophobicContact CB-CE2 4.35Å; F110-K112 VanDerWaalsContact C-N 3.29Å; F110-K112 PolarHBondContact O-N 2.97Å
111	C	29	Very low	30.8	Very low	112 Å²	112	150.7 Å²	150.7	76%	0.757	79%	0.786	S	S	*	*			trans	-80.5	85.7	153.7	-80.6	0	0	0	0	107.6	S109 K113	S109-C111 PolarHBondContact O-N 3.36Å; C111-K113 VanDerWaalsContact C-N 3.32Å; C111-K113 PolarHBondContact O-N 2.9Å
112	K	29.7	Very low	31.3	Very low	187 Å²	187	150.2 Å²	150.2	81%	0.813	78%	0.777	S	S	*	*			trans	-58.1	99.6	164.5	-83.1	-178.6	176.7	176.3	0	107.6	F110 S114	F110-K112 VanDerWaalsContact C-N 3.29Å; F110-K112 PolarHBondContact O-N 2.97Å; K112-S114 PolarHBondContact O-N 3.26Å
113	K	28.1	Very low	31.5	Very low	195 Å²	195	148.8 Å²	148.8	85%	0.848	78%	0.778	S	S	*	*			trans	-51.1	126	152.4	-76.5	178	174.7	179	0	106.2	C111 A115	C111-K113 VanDerWaalsContact C-N 3.32Å; C111-K113 PolarHBondContact O-N 2.9Å; K113-A115 PolarHBondContact O-N 3.27Å
114	S	29.1	Very low	32	Very low	122 Å²	122	151.6 Å²	151.6	85%	0.853	78%	0.778	S	S	*	*			trans	-64.5	77.8	163.1	37.6	0	0	0	0	107.9	K112 L116	K112-S114 PolarHBondContact O-N 3.26Å; S114-L116 PolarHBondContact O-N 3.48Å
115	A	30.3	Very low	32.1	Very low	84 Å²	84	150.3 Å²	150.3	69%	0.694	78%	0.776	S	S	*	*			trans	-71.8	106.3	166.6	0	0	0	0	0	106.2	K113 A117	K113-A115 PolarHBondContact O-N 3.27Å; A115-A117 PolarHBondContact O-N 3.04Å
116	L	33.8	Very low	32.5	Very low	156 Å²	156	148 Å²	148	82%	0.817	76%	0.764	S	S	*	*			trans	-60.4	95.9	159.8	-78	163.4	0	0	0	106.7	S114 H118	S114-L116 PolarHBondContact O-N 3.48Å; L116-H118 VanDerWaalsContact C-N 3.35Å; L116-H118 PolarHBondContact O-N 3.48Å
117	A	32.1	Very low	32	Very low	97 Å²	97	143.5 Å²	143.5	80%	0.802	76%	0.756	S	S	*	*			trans	-71.3	96.8	170.6	0	0	0	0	0	107	A115 S119	A115-A117 PolarHBondContact O-N 3.04Å; A117-S119 PolarHBondContact O-N 3.2Å
118	H	38.9	Very low	32.3	Very low	158 Å²	158	142.2 Å²	142.2	73%	0.731	75%	0.752	S	S	*	*			trans	-52.8	134.1	172.4	-75.6	-81	0	0	0	110.1	L116	L116-H118 VanDerWaalsContact C-N 3.35Å; L116-H118 PolarHBondContact O-N 3.48Å
119	S	38.9	Very low	32	Very low	76 Å²	76	143.1 Å²	143.1	53%	0.531	75%	0.751	S	S	.	*			trans	-61.7	152.5	177	72.3	0	0	0	0	110.7	A117 H121 F122	A117-S119 PolarHBondContact O-N 3.2Å; S119-H121 PolarHBondContact O-N 3.4Å; S119-F122 PolarHBondContact O-N 2.95Å
120	R	39.1	Very low	32	Very low	232 Å²	232	150 Å²	150	88%	0.875	76%	0.761	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.9	15.3	-168.8	-26.8	177.9	-157.7	-121.4	-1.3	113.8
121	H	37.3	Very low	31.8	Very low	169 Å²	169	149 Å²	149	78%	0.782	76%	0.762	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.2	-3.4	-176.5	-65.3	-42.6	0	0	0	113.6	S119 N123	S119-H121 PolarHBondContact O-N 3.4Å; H121-N123 PolarHBondContact O-N 3.32Å
122	F	35.6	Very low	31.7	Very low	161 Å²	161	148.5 Å²	148.5	71%	0.706	76%	0.76	S	S	*	*			trans	-93.1	67.1	166.1	-84	-86.2	0	0	0	111	S119	S119-F122 PolarHBondContact O-N 2.95Å
123	N	28.6	Very low	31.4	Very low	146 Å²	146	150.5 Å²	150.5	78%	0.781	76%	0.762	S	S	*	*			trans	-99.4	102.8	157	-83.3	-24.8	0	0	0	108	H121 T125	H121-N123 PolarHBondContact O-N 3.32Å; N123-T125 PolarHBondContact O-N 3.22Å
124	R	35.4	Very low	31.4	Very low	205 Å²	205	149.8 Å²	149.8	77%	0.774	76%	0.762	S	S	*	*			trans	-64.5	108.9	164.3	172.1	178.5	156.9	-169	-11.6	108.1	D126	R124-D126 IonicContact CZ-OD1 2.79Å; R124-D126 IonicContact CZ-OD2 2.75Å; R124-D126 IonicContact NE-OD1 2.8Å; R124-D126 PolarHBondContact NE-OD1 3.41Å; R124-D126 IonicContact NE-OD2 2.63Å; R124-D126 PolarHBondContact NE-OD2 3.38Å; R124-D126 IonicContact NH2-OD1 2.73Å; R124-D126 PolarHBondContact NH2-OD1 3.3Å; R124-D126 IonicContact NH2-OD2 3.16Å; R124-D126 PolarHBondContact NH2-OD2 2.92Å
125	T	29.4	Very low	31.2	Very low	126 Å²	126	151.7 Å²	151.7	77%	0.773	76%	0.762	S	S	*	*			trans	-88.5	101	157.1	26.9	0	0	0	0	108	N123 N127	N123-T125 PolarHBondContact O-N 3.22Å; T125-N127 PolarHBondContact O-N 2.92Å; T125-N127 VanDerWaalsContact O-N 3.16Å
126	D	35.7	Very low	31.1	Very low	112 Å²	112	151.1 Å²	151.1	60%	0.599	76%	0.764	S	S	*	*			trans	-60.5	109.2	156.9	-87.8	-12.3	0	0	0	107.3	R124	R124-D126 IonicContact CZ-OD1 2.79Å; R124-D126 IonicContact CZ-OD2 2.75Å; R124-D126 IonicContact NE-OD1 2.8Å; R124-D126 PolarHBondContact NE-OD1 3.41Å; R124-D126 IonicContact NE-OD2 2.63Å; R124-D126 PolarHBondContact NE-OD2 3.38Å; R124-D126 IonicContact NH2-OD1 2.73Å; R124-D126 PolarHBondContact NH2-OD1 3.3Å; R124-D126 IonicContact NH2-OD2 3.16Å; R124-D126 PolarHBondContact NH2-OD2 2.92Å
127	N	25.5	Very low	30.7	Very low	135 Å²	135	153.6 Å²	153.6	72%	0.722	77%	0.769	S	S	*	*			trans	-145	86.6	160	-95	-20.7	0	0	0	107.6	T125 H129	T125-N127 PolarHBondContact O-N 2.92Å; T125-N127 VanDerWaalsContact O-N 3.16Å; N127-H129 VanDerWaalsContact C-N 3.32Å; N127-H129 PolarHBondContact O-N 3.32Å; N127-H129 VanDerWaalsContact O-N 3.08Å
128	S	32.5	Very low	30.6	Very low	104 Å²	104	157.1 Å²	157.1	73%	0.727	77%	0.774	S	S	*	*			trans	-71	89.4	162.5	54	0	0	0	0	108.8
129	H	25.2	Very low	30.1	Very low	159 Å²	159	158.6 Å²	158.6	74%	0.736	78%	0.781	S	S	*	*			trans	-123	99.2	158.9	-84.5	-69.6	0	0	0	108.6	N127 I131	N127-H129 VanDerWaalsContact C-N 3.32Å; N127-H129 PolarHBondContact O-N 3.32Å; N127-H129 VanDerWaalsContact O-N 3.08Å; H129-I131 PolarHBondContact O-N 3.41Å; H129-I131 VanDerWaalsContact O-N 3.09Å
130	W	28.8	Very low	29.5	Very low	249 Å²	249	163.9 Å²	163.9	94%	0.943	80%	0.797	S	S	*	*			trans	-55.2	107	164	-69.4	83.7	0	0	0	108.7
131	I	24.4	Very low	29.3	Very low	144 Å²	144	160.8 Å²	160.8	74%	0.738	80%	0.797	S	S	*	*			trans	-99.6	95.7	166.5	-60.9	175.9	0	0	0	106.1	H129 R133	H129-I131 PolarHBondContact O-N 3.41Å; H129-I131 VanDerWaalsContact O-N 3.09Å; I131-R133 PolarHBondContact O-N 2.76Å; I131-R133 VanDerWaalsContact O-N 3.13Å
132	S	27.3	Very low	28.8	Very low	101 Å²	101	161.5 Å²	161.5	71%	0.706	80%	0.801	S	S	*	*			trans	-63.2	106.9	164.6	59	0	0	0	0	108.5
133	R	23.3	Very low	28.6	Very low	230 Å²	230	159.1 Å²	159.1	87%	0.868	80%	0.804	S	S	*	*			trans	-95.2	106.3	158.2	-94.8	-173.7	178.4	176.1	-0.3	108	I131 D135	I131-R133 PolarHBondContact O-N 2.76Å; I131-R133 VanDerWaalsContact O-N 3.13Å; R133-D135 PolarHBondContact O-N 2.73Å
134	H	28.5	Very low	28.6	Very low	180 Å²	180	158.8 Å²	158.8	83%	0.833	81%	0.807	S	S	*	*			trans	-69.5	115.9	156.5	-83.5	-76.7	0	0	0	107.5
135	D	24.8	Very low	28.8	Very low	161 Å²	161	152.7 Å²	152.7	86%	0.861	79%	0.794	S	S	*	*			trans	-138.5	124.5	152.7	-120	-18.5	0	0	0	108.8	R133	R133-D135 PolarHBondContact O-N 2.73Å
136	G	28.5	Very low	29.8	Very low	72 Å²	72	156.2 Å²	156.2	74%	0.742	80%	0.799	S	S	*	*			trans	-74.1	133.7	-162.4	0	0	0	0	0	113.6
137	F	25.4	Very low	30.9	Very low	208 Å²	208	155.7 Å²	155.7	91%	0.912	80%	0.799	S	S	*	*			trans	-112.4	119.6	147.6	-90.5	-94.2	0	0	0	107.7	E139	F137-E139 PolarHBondContact O-N 2.91Å
138	L	29.1	Very low	32.9	Very low	172 Å²	172	150.2 Å²	150.2	90%	0.901	77%	0.77	S	S	*	*			trans	-79.9	95.6	-178.1	-153.8	139.7	0	0	0	106.8	Q140	L138-Q140 PolarHBondContact O-N 2.74Å
139	E	28.8	Very low	34.9	Very low	189 Å²	189	151.8 Å²	151.8	88%	0.883	76%	0.76	S	S	*	*			trans	-71.1	114	174.8	-91.9	-178.1	164.4	0	0	109.9	F137	F137-E139 PolarHBondContact O-N 2.91Å
140	Q	27.2	Very low	37.4	Very low	187 Å²	187	144.2 Å²	144.2	87%	0.874	73%	0.725	S	S	*	*			trans	-78.2	120	170.7	-160.2	166.1	-4.9	0	0	108.4	L138 E142	L138-Q140 PolarHBondContact O-N 2.74Å; Q140-E142 PolarHBondContact O-N 3.5Å
141	L	33.8	Very low	39.6	Very low	166 Å²	166	136.1 Å²	136.1	87%	0.869	70%	0.7	S	S	*	*			trans	-34.2	112.6	175.9	-166.6	82.1	0	0	0	115
142	E	27.5	Very low	42.4	Very low	185 Å²	185	132.6 Å²	132.6	86%	0.864	68%	0.683	S	S	*	*			trans	-161	117.8	150.8	-109.1	166.8	-147.5	0	0	112	Q140	Q140-E142 PolarHBondContact O-N 3.5Å
143	S	31.2	Very low	45.2	Very low	111 Å²	111	127.9 Å²	127.9	78%	0.776	65%	0.65	S	S	*	*			trans	46.8	97.9	173.8	61.4	0	0	0	0	118.5	P145	S143-P145 WeakPolarHBondContact O-CD 3.47Å
144	T	28	Very low	48.2	Very low	138 Å²	138	117.6 Å²	117.6	85%	0.847	62%	0.615	S	S	*	*			trans	-54.2	121.3	166.3	40.6	0	0	0	0	111.3	K146	T144-K146 PolarHBondContact O-N 3.4Å
145	P	40.5	Very low	51	Low	77 Å²	77	111.5 Å²	111.5	50%	0.5	59%	0.587	S	S	.	*			trans	-59	135.4	171.2	-19.4	30.3	0	0	0	109.7	S143 V147	S143-P145 WeakPolarHBondContact O-CD 3.47Å; P145-V147 PolarHBondContact O-N 3.46Å
146	K	50	Low	54.1	Low	200 Å²	200	103.9 Å²	103.9	87%	0.87	55%	0.546	S	S	*	.			trans	-56.4	112.3	169.7	-79.1	179.8	179.3	175.3	0	107.9	T144 L148	T144-K146 PolarHBondContact O-N 3.4Å; K146-L148 PolarHBondContact O-N 2.72Å
147	V	59.1	Low	57.1	Low	101 Å²	101	100.6 Å²	100.6	61%	0.612	51%	0.512	S	S	*	.			trans	-60.6	113.6	174.8	179.6	0	0	0	0	107.7	P145 R149	P145-V147 PolarHBondContact O-N 3.46Å; V147-R149 HydrophobicContact CG1-CG 4.24Å; V147-R149 PolarHBondContact O-N 3.25Å
148	L	67.8	Low	60.2	Low	21 Å²	21	93.3 Å²	93.3	11%	0.11	48%	0.484	C	S	.	.			trans	-63	130.6	172.5	-83.7	137.2	0	0	0	108.6	V17 K146 L520 R544	V17-L148 HydrophobicContact CG2-CB 4.23Å; K146-L148 PolarHBondContact O-N 2.72Å; L148-L520 HydrophobicContact CD1-CD2 3.56Å; L148-R544 VanDerWaalsContact CD2-NH1 3.34Å
149	R	74.5	Confident	63.1	Low	137 Å²	137	85.2 Å²	85.2	52%	0.517	44%	0.443	S	S	.	.			trans	-134.5	145	179.9	-64	-176	-176.9	-173.6	-0.8	109.5	V147	V147-R149 HydrophobicContact CG1-CG 4.24Å; V147-R149 PolarHBondContact O-N 3.25Å
150	C	76.9	Confident	66.1	Low	0 Å²	0	76.2 Å²	76.2	0%	0	40%	0.401	C	S	.	.	B	Isolated β-bridge	trans	-110.3	111.2	170.3	-172.7	0	0	0	0	108.2	V17 P18 H20	V17-C150 HydrophobicContact CG1-CB 4.16Å; P18-C150 PolarHBondContact O-N 3.08Å; H20-C150 PolarHBondContact N-O 3.11Å
151	N	75	Confident	69.1	Low	78 Å²	78	67.6 Å²	67.6	42%	0.417	36%	0.361	S	S	.	.			trans	-112.2	-5.6	-174.7	-59.2	-26.1	0	0	0	112.7
152	D	82.7	Confident	71.7	Confident	71 Å²	71	63.4 Å²	63.4	38%	0.38	34%	0.336	S	S	.	.			trans	-121	132.5	-177.9	173.5	36.1	0	0	0	111.4	G154 E155 L156	D152-G154 PolarHBondContact O-N 3.12Å; D152-G154 PolarHBondContact OD1-N 2.75Å; D152-G154 WeakPolarHBondContact OD2-CA 3.43Å; D152-G154 PolarHBondContact OD2-N 3.48Å; D152-E155 HydrophobicContact CB-CB 4.1Å; D152-E155 PolarHBondContact O-N 3.23Å; D152-E155 PolarHBondContact OD2-N 2.92Å; D152-L156 PolarHBondContact O-N 3.48Å
153	F	87.1	Confident	74.5	Confident	2 Å²	2	57.2 Å²	57.2	1%	0.009	32%	0.322	C	S	.	.	H	α-helix	trans	-65.2	-30.3	174.8	-167.4	-132.2	0	0	0	112.2	V22 M26 L156 A157 K172 V175 R176 L409 L413	V22-F153 HydrophobicContact CG1-CB 3.29Å; V22-F153 HydrophobicContact CG1-CD2 3.42Å; V22-F153 VanDerWaalsContact CG1-CD2 3.42Å; V22-F153 HydrophobicContact CG1-CG 3.72Å; M26-F153 HydrophobicContact SD-CD1 4.01Å; M26-F153 HydrophobicContact SD-CE1 4.49Å; F153-L156 HydrophobicContact CD2-CD2 4.42Å; F153-A157 VanDerWaalsContact O-CB 3.3Å; F153-A157 WeakPolarHBondContact O-CB 3.32Å; F153-A157 PolarHBondContact O-N 3.46Å; F153-K172 HydrophobicContact CD1-CG 3.92Å; F153-K172 HydrophobicContact CE1-CB 4.37Å; F153-K172 HydrophobicContact CE1-CD 4.38Å; F153-K172 HydrophobicContact CE1-CG 3.36Å; F153-K172 HydrophobicContact CZ-CG 4.02Å; F153-V175 HydrophobicContact CE1-CB 4.17Å; F153-V175 HydrophobicContact CE1-CG1 4.07Å; F153-V175 HydrophobicContact CE2-CG1 4.26Å; F153-V175 HydrophobicContact CZ-CB 3.72Å; F153-V175 HydrophobicContact CZ-CG1 3.58Å; F153-V175 HydrophobicContact CZ-CG2 4.09Å; F153-R176 HydrophobicContact CE1-CG 4.25Å; F153-L409 HydrophobicContact CE2-CD2 4.07Å; F153-L409 HydrophobicContact CZ-CD1 4.48Å; F153-L409 HydrophobicContact CZ-CD2 4.48Å; F153-L413 HydrophobicContact CE2-CD1 4.4Å; F153-L413 HydrophobicContact CE2-CD2 4.45Å
154	G	86.3	Confident	77.3	Confident	13 Å²	13	52.5 Å²	52.5	13%	0.134	29%	0.288	C	S	.	.	H	α-helix	trans	-59.1	-57.8	170.9	0	0	0	0	0	111.9	D152 L156 A157 V158 K172	D152-G154 PolarHBondContact O-N 3.12Å; D152-G154 PolarHBondContact OD1-N 2.75Å; D152-G154 WeakPolarHBondContact OD2-CA 3.43Å; D152-G154 PolarHBondContact OD2-N 3.48Å; G154-L156 VanDerWaalsContact C-N 3.33Å; G154-L156 PolarHBondContact O-N 3.01Å; G154-A157 PolarHBondContact O-N 3.14Å; G154-V158 VanDerWaalsContact O-CG2 3.29Å; G154-V158 WeakPolarHBondContact O-CG2 3.42Å; G154-V158 PolarHBondContact O-N 2.95Å; G154-K172 VanDerWaalsContact CA-NZ 3.33Å
155	E	86.8	Confident	80.3	Confident	53 Å²	53	51.1 Å²	51.1	25%	0.248	27%	0.272	C	S	.	.	H	α-helix	trans	-53.3	-48.8	176.3	-169.2	-166	153	0	0	111.8	D152 A157 V158 G159 R544 Y546	D152-E155 HydrophobicContact CB-CB 4.1Å; D152-E155 PolarHBondContact O-N 3.23Å; D152-E155 PolarHBondContact OD2-N 2.92Å; E155-A157 PolarHBondContact O-N 3.25Å; E155-V158 PolarHBondContact O-N 3.36Å; E155-G159 PolarHBondContact O-N 2.9Å; E155-R544 IonicContact OE1-NH1 3.74Å; E155-Y546 HydrophobicContact CG-CE2 4.48Å; E155-Y546 PolarHBondContact OE1-OH 3.42Å
156	L	90.5	Very high	82.8	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-58.8	-49.7	-179.3	-177.5	62.9	0	0	0	112.1	I19 D152 F153 G154 V158 G159 L160 A412 L413 V418 Y546	I19-L156 HydrophobicContact CD1-CD1 3.85Å; I19-L156 HydrophobicContact CD1-CD2 3.9Å; I19-L156 HydrophobicContact CG1-CD1 4.43Å; I19-L156 HydrophobicContact CG2-CD2 4.26Å; D152-L156 PolarHBondContact O-N 3.48Å; F153-L156 HydrophobicContact CD2-CD2 4.42Å; G154-L156 VanDerWaalsContact C-N 3.33Å; G154-L156 PolarHBondContact O-N 3.01Å; L156-V158 PolarHBondContact O-N 2.85Å; L156-G159 PolarHBondContact O-N 2.93Å; L156-L160 HydrophobicContact CD1-CD1 3.7Å; L156-L160 HydrophobicContact CD1-CG 4.27Å; L156-L160 HydrophobicContact CG-CD1 3.88Å; L156-L160 WeakPolarHBondContact O-CB 3.32Å; L156-L160 WeakPolarHBondContact O-CG 3.17Å; L156-L160 PolarHBondContact O-N 3.41Å; L156-A412 HydrophobicContact CD1-CB 4.49Å; L156-L413 HydrophobicContact CD2-CD2 4.33Å; L156-V418 HydrophobicContact CD1-CG1 4.16Å; L156-V418 HydrophobicContact CD1-CG2 4.35Å; L156-Y546 HydrophobicContact CD1-CD2 4.32Å
157	A	91.8	Very high	84.9	Confident	3 Å²	3	39.8 Å²	39.8	3%	0.025	22%	0.22	C	C	.	.	H	α-helix	trans	-63.5	-42.5	-179.1	0	0	0	0	0	111.3	F153 G154 E155 G159 L160 S161 M168 K172 L409	F153-A157 VanDerWaalsContact O-CB 3.3Å; F153-A157 WeakPolarHBondContact O-CB 3.32Å; F153-A157 PolarHBondContact O-N 3.46Å; G154-A157 PolarHBondContact O-N 3.14Å; E155-A157 PolarHBondContact O-N 3.25Å; A157-G159 VanDerWaalsContact C-N 3.34Å; A157-G159 PolarHBondContact O-N 2.8Å; A157-L160 PolarHBondContact O-N 2.74Å; A157-S161 PolarHBondContact O-N 3.46Å; A157-S161 VanDerWaalsContact O-N 3.14Å; A157-M168 HydrophobicContact CB-CG 4.22Å; A157-M168 HydrophobicContact CB-SD 4.22Å; A157-M168 WeakPolarHBondContact O-CG 3.31Å; A157-K172 HydrophobicContact CB-CB 4.45Å; A157-K172 HydrophobicContact CB-CD 4.01Å; A157-K172 HydrophobicContact CB-CG 4.21Å; A157-L409 HydrophobicContact CB-CD2 4.38Å
158	V	89.8	Confident	86.7	Confident	56 Å²	56	35.2 Å²	35.2	34%	0.339	19%	0.192	S	C	.	.	H	α-helix	trans	-64.7	-42.2	177.8	180	0	0	0	0	110.5	G154 E155 L156 L160 S161 P543	G154-V158 VanDerWaalsContact O-CG2 3.29Å; G154-V158 WeakPolarHBondContact O-CG2 3.42Å; G154-V158 PolarHBondContact O-N 2.95Å; E155-V158 PolarHBondContact O-N 3.36Å; L156-V158 PolarHBondContact O-N 2.85Å; V158-L160 VanDerWaalsContact C-N 3.33Å; V158-L160 PolarHBondContact O-N 3.15Å; V158-S161 VanDerWaalsContact O-CB 3.28Å; V158-S161 WeakPolarHBondContact O-CB 3.34Å; V158-S161 PolarHBondContact O-N 2.85Å; V158-S161 VanDerWaalsContact O-N 3.17Å; V158-S161 PolarHBondContact O-OG 3.03Å; V158-P543 HydrophobicContact CB-CB 4.19Å; V158-P543 HydrophobicContact CG1-CB 3.34Å; V158-P543 HydrophobicContact CG1-CG 3.3Å
159	G	89.2	Confident	87.9	Confident	2 Å²	2	36.1 Å²	36.1	2%	0.021	20%	0.202	C	C	.	.	H	α-helix	trans	-67.9	-28.8	179.3	0	0	0	0	0	115.3	E155 L156 A157 R544 Y546	E155-G159 PolarHBondContact O-N 2.9Å; L156-G159 PolarHBondContact O-N 2.93Å; A157-G159 VanDerWaalsContact C-N 3.34Å; A157-G159 PolarHBondContact O-N 2.8Å; G159-R544 WeakPolarHBondContact CA-O 3.49Å; G159-Y546 PolarHBondContact O-N 2.92Å
160	L	92.9	Very high	88.9	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	0.6	174.6	-68.6	170.1	0	0	0	113.5	L156 A157 V158 H162 M168 R408 L409 A412 V418 T548	L156-L160 HydrophobicContact CD1-CD1 3.7Å; L156-L160 HydrophobicContact CD1-CG 4.27Å; L156-L160 HydrophobicContact CG-CD1 3.88Å; L156-L160 WeakPolarHBondContact O-CB 3.32Å; L156-L160 WeakPolarHBondContact O-CG 3.17Å; L156-L160 PolarHBondContact O-N 3.41Å; A157-L160 PolarHBondContact O-N 2.74Å; V158-L160 VanDerWaalsContact C-N 3.33Å; V158-L160 PolarHBondContact O-N 3.15Å; L160-H162 VanDerWaalsContact C-N 3.31Å; L160-H162 PolarHBondContact O-CD2 3.33Å; L160-H162 PolarHBondContact O-N 3.05Å; L160-M168 HydrophobicContact CB-CE 3.89Å; L160-M168 WeakPolarHBondContact O-CE 3.35Å; L160-R408 HydrophobicContact CB-CB 4.47Å; L160-R408 WeakPolarHBondContact O-CD 3.17Å; L160-L409 HydrophobicContact CD1-CD2 4.09Å; L160-A412 HydrophobicContact CD1-CB 3.62Å; L160-V418 HydrophobicContact CD2-CG1 4.27Å; L160-T548 HydrophobicContact CD2-CG2 4.33Å
161	S	90.7	Very high	89.9	Confident	5 Å²	5	30.1 Å²	30.1	4%	0.035	18%	0.181	C	C	.	.	S	Bend	trans	-70.1	-29.4	-176.2	68.2	0	0	0	0	112.8	A157 V158 G163 D164 H165	A157-S161 PolarHBondContact O-N 3.46Å; A157-S161 VanDerWaalsContact O-N 3.14Å; V158-S161 VanDerWaalsContact O-CB 3.28Å; V158-S161 WeakPolarHBondContact O-CB 3.34Å; V158-S161 PolarHBondContact O-N 2.85Å; V158-S161 VanDerWaalsContact O-N 3.17Å; V158-S161 PolarHBondContact O-OG 3.03Å; S161-G163 PolarHBondContact O-N 3.47Å; S161-G163 VanDerWaalsContact O-N 3.16Å; S161-D164 PolarHBondContact O-N 2.72Å; S161-H165 PolarHBondContact OG-CE1 3.36Å; S161-H165 VanDerWaalsContact OG-CE1 3.24Å; S161-H165 PolarHBondContact OG-ND1 3.02Å
162	H	87.9	Confident	90.8	Very high	78 Å²	78	28.1 Å²	28.1	36%	0.361	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.1	40.3	-173.7	-57.4	-80.5	0	0	0	113.1	L160 D164 R408 Y546 D547	L160-H162 VanDerWaalsContact C-N 3.31Å; L160-H162 PolarHBondContact O-CD2 3.33Å; L160-H162 PolarHBondContact O-N 3.05Å; H162-D164 VanDerWaalsContact C-N 3.32Å; H162-D164 PolarHBondContact O-N 3.07Å; H162-R408 PolarHBondContact CD2-NE 3.46Å; H162-R408 PolarHBondContact CD2-NH1 3.4Å; H162-Y546 PolarHBondContact CE1-O 3.04Å; H162-Y546 PolarHBondContact NE2-O 3.3Å; H162-D547 IonicContact CE1-OD1 3.9Å; H162-D547 PolarHBondContact CE1-OD1 3.31Å; H162-D547 IonicContact NE2-OD1 3.75Å
163	G	85.1	Confident	91.4	Very high	55 Å²	55	25.3 Å²	25.3	57%	0.567	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	85	-6.9	-179.7	0	0	0	0	0	115.2	S161 H165	S161-G163 PolarHBondContact O-N 3.47Å; S161-G163 VanDerWaalsContact O-N 3.16Å; G163-H165 PolarHBondContact O-N 3.2Å
164	D	91.1	Very high	91.7	Very high	12 Å²	12	25.2 Å²	25.2	6%	0.064	16%	0.155	C	C	.	.			trans	-94.6	64.4	176.4	-164.4	7.9	0	0	0	112.8	S161 H162 S166 S167 M168 R401	S161-D164 PolarHBondContact O-N 2.72Å; H162-D164 VanDerWaalsContact C-N 3.32Å; H162-D164 PolarHBondContact O-N 3.07Å; D164-S166 VanDerWaalsContact C-N 3.31Å; D164-S166 PolarHBondContact O-N 3.42Å; D164-S166 PolarHBondContact OD1-OG 3.37Å; D164-S167 VanDerWaalsContact CG-CB 3.41Å; D164-S167 VanDerWaalsContact CG-OG 3.22Å; D164-S167 PolarHBondContact OD1-OG 3.35Å; D164-S167 WeakPolarHBondContact OD2-CB 3.28Å; D164-S167 PolarHBondContact OD2-OG 2.95Å; D164-M168 VanDerWaalsContact O-CB 3.25Å; D164-M168 WeakPolarHBondContact O-CB 3.24Å; D164-M168 PolarHBondContact O-N 3.07Å; D164-R401 IonicContact OD1-CZ 3.09Å; D164-R401 IonicContact OD1-NE 3.19Å; D164-R401 IonicContact OD1-NH2 2.77Å; D164-R401 PolarHBondContact OD1-NH2 3.12Å; D164-R401 VanDerWaalsContact OD2-CB 3.32Å; D164-R401 WeakPolarHBondContact OD2-CB 3.43Å; D164-R401 IonicContact OD2-CZ 3.54Å; D164-R401 IonicContact OD2-NE 3.26Å; D164-R401 PolarHBondContact OD2-NE 2.91Å; D164-R401 IonicContact OD2-NH2 3.4Å; D164-R401 PolarHBondContact OD2-NH2 3.48Å
165	H	91.4	Very high	92.1	Very high	110 Å²	110	24.6 Å²	24.6	51%	0.509	15%	0.148	S	C	.	.	H	α-helix	trans	-63.6	-32.9	-173.5	-59.7	-60.6	0	0	0	113.7	S161 G163 A169	S161-H165 PolarHBondContact OG-CE1 3.36Å; S161-H165 VanDerWaalsContact OG-CE1 3.24Å; S161-H165 PolarHBondContact OG-ND1 3.02Å; G163-H165 PolarHBondContact O-N 3.2Å; H165-A169 VanDerWaalsContact O-CB 3.26Å; H165-A169 WeakPolarHBondContact O-CB 3.41Å; H165-A169 PolarHBondContact O-N 3.16Å
166	S	91.7	Very high	92.3	Very high	36 Å²	36	26.5 Å²	26.5	25%	0.252	15%	0.153	S	C	.	.	H	α-helix	trans	-70.4	-49.7	-178.5	56.5	0	0	0	0	111.5	D164 M168 A169 L170	D164-S166 VanDerWaalsContact C-N 3.31Å; D164-S166 PolarHBondContact O-N 3.42Å; D164-S166 PolarHBondContact OD1-OG 3.37Å; S166-M168 VanDerWaalsContact C-N 3.33Å; S166-M168 PolarHBondContact O-N 3.36Å; S166-A169 PolarHBondContact O-N 2.9Å; S166-L170 WeakPolarHBondContact O-CG 3.49Å; S166-L170 PolarHBondContact O-N 3.34Å
167	S	95	Very high	92.3	Very high	3 Å²	3	27.2 Å²	27.2	2%	0.021	16%	0.157	C	C	.	.	H	α-helix	trans	-62.2	-41.4	175	-59.2	0	0	0	0	111.7	D164 A169 L170 A171	D164-S167 VanDerWaalsContact CG-CB 3.41Å; D164-S167 VanDerWaalsContact CG-OG 3.22Å; D164-S167 PolarHBondContact OD1-OG 3.35Å; D164-S167 WeakPolarHBondContact OD2-CB 3.28Å; D164-S167 PolarHBondContact OD2-OG 2.95Å; S167-A169 VanDerWaalsContact C-N 3.35Å; S167-A169 PolarHBondContact O-N 3.48Å; S167-L170 WeakPolarHBondContact O-CB 3.31Å; S167-L170 PolarHBondContact O-N 3.14Å; S167-A171 PolarHBondContact O-N 3.12Å
168	M	95.9	Very high	92.3	Very high	5 Å²	5	27.1 Å²	27.1	3%	0.025	16%	0.156	C	C	.	.	H	α-helix	trans	-66.7	-35.4	177.9	-177	53.9	77.1	0	0	112.4	A157 L160 D164 S166 L170 A171 K172 C405 L409	A157-M168 HydrophobicContact CB-CG 4.22Å; A157-M168 HydrophobicContact CB-SD 4.22Å; A157-M168 WeakPolarHBondContact O-CG 3.31Å; L160-M168 HydrophobicContact CB-CE 3.89Å; L160-M168 WeakPolarHBondContact O-CE 3.35Å; D164-M168 VanDerWaalsContact O-CB 3.25Å; D164-M168 WeakPolarHBondContact O-CB 3.24Å; D164-M168 PolarHBondContact O-N 3.07Å; S166-M168 VanDerWaalsContact C-N 3.33Å; S166-M168 PolarHBondContact O-N 3.36Å; M168-L170 VanDerWaalsContact C-N 3.31Å; M168-L170 PolarHBondContact O-N 3.45Å; M168-A171 PolarHBondContact O-N 2.88Å; M168-A171 HydrophobicContact SD-CB 4.35Å; M168-K172 VanDerWaalsContact O-CB 3.26Å; M168-K172 WeakPolarHBondContact O-CB 3.24Å; M168-K172 PolarHBondContact O-N 3.19Å; M168-C405 HydrophobicContact CB-CB 4.41Å; M168-C405 HydrophobicContact CE-CB 3.74Å; M168-C405 HydrophobicContact SD-CB 4.23Å; M168-L409 HydrophobicContact CE-CG 4.21Å; M168-L409 HydrophobicContact SD-CD1 3.58Å; M168-L409 VanDerWaalsContact SD-CD1 3.58Å; M168-L409 HydrophobicContact SD-CD2 4.17Å; M168-L409 HydrophobicContact SD-CG 3.76Å
169	A	94.4	Very high	92.1	Very high	39 Å²	39	26.6 Å²	26.6	32%	0.322	15%	0.148	S	C	.	.	H	α-helix	trans	-62.5	-38.8	173.8	0	0	0	0	0	111.9	H165 S166 S167 A173	H165-A169 VanDerWaalsContact O-CB 3.26Å; H165-A169 WeakPolarHBondContact O-CB 3.41Å; H165-A169 PolarHBondContact O-N 3.16Å; S166-A169 PolarHBondContact O-N 2.9Å; S167-A169 VanDerWaalsContact C-N 3.35Å; S167-A169 PolarHBondContact O-N 3.48Å; A169-A173 WeakPolarHBondContact O-CB 3.43Å; A169-A173 PolarHBondContact O-N 3.38Å
170	L	95.8	Very high	91.9	Very high	12 Å²	12	30.8 Å²	30.8	6%	0.063	17%	0.167	C	C	.	.	H	α-helix	trans	-66.6	-46.2	173.7	-62.7	171.2	0	0	0	111.4	S166 S167 M168 K172 A173 A174 V215 L387 F402	S166-L170 WeakPolarHBondContact O-CG 3.49Å; S166-L170 PolarHBondContact O-N 3.34Å; S167-L170 WeakPolarHBondContact O-CB 3.31Å; S167-L170 PolarHBondContact O-N 3.14Å; M168-L170 VanDerWaalsContact C-N 3.31Å; M168-L170 PolarHBondContact O-N 3.45Å; L170-K172 VanDerWaalsContact C-N 3.31Å; L170-K172 PolarHBondContact O-N 2.95Å; L170-A173 WeakPolarHBondContact O-CB 3.5Å; L170-A173 PolarHBondContact O-N 2.61Å; L170-A173 VanDerWaalsContact O-N 3.13Å; L170-A174 PolarHBondContact O-N 2.91Å; L170-V215 HydrophobicContact CB-CG2 3.87Å; L170-V215 HydrophobicContact CD2-CG2 3.91Å; L170-V215 HydrophobicContact CG-CG2 4.49Å; L170-V215 WeakPolarHBondContact O-CG2 3.26Å; L170-L387 HydrophobicContact CD1-CD2 3.85Å; L170-F402 HydrophobicContact CB-CD2 3.96Å; L170-F402 HydrophobicContact CB-CE2 3.78Å
171	A	96.6	Very high	91.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-60.6	-42.5	177.3	0	0	0	0	0	111.5	S167 M168 A174 V175 F402 C405 V406 L409	S167-A171 PolarHBondContact O-N 3.12Å; M168-A171 PolarHBondContact O-N 2.88Å; M168-A171 HydrophobicContact SD-CB 4.35Å; A171-A174 WeakPolarHBondContact O-CB 3.31Å; A171-A174 PolarHBondContact O-N 3.27Å; A171-V175 PolarHBondContact O-N 3.03Å; A171-V175 VanDerWaalsContact O-N 3.12Å; A171-F402 HydrophobicContact CB-CE2 4.42Å; A171-C405 HydrophobicContact CB-CB 4.03Å; A171-V406 HydrophobicContact CB-CG2 3.75Å; A171-L409 HydrophobicContact CB-CD1 3.83Å
172	K	94.6	Very high	90.9	Very high	35 Å²	35	33 Å²	33	15%	0.152	18%	0.179	C	C	.	.	H	α-helix	trans	-56.7	-51.6	171.6	-168	-174.4	-170.4	-176.8	0	110.3	F153 G154 A157 M168 L170 A174 V175 R176	F153-K172 HydrophobicContact CD1-CG 3.92Å; F153-K172 HydrophobicContact CE1-CB 4.37Å; F153-K172 HydrophobicContact CE1-CD 4.38Å; F153-K172 HydrophobicContact CE1-CG 3.36Å; F153-K172 HydrophobicContact CZ-CG 4.02Å; G154-K172 VanDerWaalsContact CA-NZ 3.33Å; A157-K172 HydrophobicContact CB-CB 4.45Å; A157-K172 HydrophobicContact CB-CD 4.01Å; A157-K172 HydrophobicContact CB-CG 4.21Å; M168-K172 VanDerWaalsContact O-CB 3.26Å; M168-K172 WeakPolarHBondContact O-CB 3.24Å; M168-K172 PolarHBondContact O-N 3.19Å; L170-K172 VanDerWaalsContact C-N 3.31Å; L170-K172 PolarHBondContact O-N 2.95Å; K172-A174 VanDerWaalsContact C-N 3.28Å; K172-A174 PolarHBondContact O-N 3.46Å; K172-V175 PolarHBondContact O-N 3.08Å; K172-R176 VanDerWaalsContact CE-CZ 3.44Å; K172-R176 VanDerWaalsContact NZ-NH2 3.17Å; K172-R176 VanDerWaalsContact O-CG 3.27Å; K172-R176 WeakPolarHBondContact O-CG 3.38Å; K172-R176 PolarHBondContact O-N 3.3Å
173	A	94	Very high	90.3	Very high	13 Å²	13	31.5 Å²	31.5	11%	0.107	18%	0.177	C	C	.	.	H	α-helix	trans	-58.4	-37.8	178.7	0	0	0	0	0	112.9	A169 L170 R176 L177 V215	A169-A173 WeakPolarHBondContact O-CB 3.43Å; A169-A173 PolarHBondContact O-N 3.38Å; L170-A173 WeakPolarHBondContact O-CB 3.5Å; L170-A173 PolarHBondContact O-N 2.61Å; L170-A173 VanDerWaalsContact O-N 3.13Å; A173-R176 WeakPolarHBondContact O-CB 3.48Å; A173-R176 PolarHBondContact O-N 2.86Å; A173-L177 WeakPolarHBondContact O-CG 3.45Å; A173-L177 PolarHBondContact O-N 2.96Å; A173-V215 HydrophobicContact CB-CB 4.42Å; A173-V215 HydrophobicContact CB-CG2 4.48Å
174	A	95.3	Very high	89.6	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-61.1	-48.3	174.6	0	0	0	0	0	112	L170 A171 K172 R176 L177 Q178 L200 V215 I383	L170-A174 PolarHBondContact O-N 2.91Å; A171-A174 WeakPolarHBondContact O-CB 3.31Å; A171-A174 PolarHBondContact O-N 3.27Å; K172-A174 VanDerWaalsContact C-N 3.28Å; K172-A174 PolarHBondContact O-N 3.46Å; A174-R176 VanDerWaalsContact C-N 3.29Å; A174-R176 PolarHBondContact O-N 2.9Å; A174-L177 PolarHBondContact O-N 3.01Å; A174-Q178 PolarHBondContact O-N 3.08Å; A174-L200 HydrophobicContact CB-CD1 3.98Å; A174-L200 HydrophobicContact CB-CD2 4.21Å; A174-V215 HydrophobicContact CB-CG1 3.98Å; A174-I383 HydrophobicContact CB-CG2 4.35Å; A174-I383 WeakPolarHBondContact O-CD1 3.27Å
175	V	93.4	Very high	88.3	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-58.4	-44.1	175.6	175.8	0	0	0	0	110.9	F23 F153 A171 K172 L177 Q178 W179 F193 F195 L409 L413	F23-V175 HydrophobicContact CE1-CG1 3.91Å; F23-V175 HydrophobicContact CZ-CG1 4.23Å; F153-V175 HydrophobicContact CE1-CB 4.17Å; F153-V175 HydrophobicContact CE1-CG1 4.07Å; F153-V175 HydrophobicContact CE2-CG1 4.26Å; F153-V175 HydrophobicContact CZ-CB 3.72Å; F153-V175 HydrophobicContact CZ-CG1 3.58Å; F153-V175 HydrophobicContact CZ-CG2 4.09Å; A171-V175 PolarHBondContact O-N 3.03Å; A171-V175 VanDerWaalsContact O-N 3.12Å; K172-V175 PolarHBondContact O-N 3.08Å; V175-L177 PolarHBondContact O-N 3.05Å; V175-Q178 PolarHBondContact O-N 2.87Å; V175-W179 WeakPolarHBondContact O-CB 3.49Å; V175-W179 PolarHBondContact O-N 2.91Å; V175-F193 HydrophobicContact CG1-CE1 3.79Å; V175-F193 HydrophobicContact CG1-CZ 4.03Å; V175-F195 HydrophobicContact CB-CD2 4.45Å; V175-F195 HydrophobicContact CB-CE2 4.46Å; V175-F195 HydrophobicContact CG2-CD1 3.94Å; V175-F195 HydrophobicContact CG2-CD2 3.76Å; V175-F195 HydrophobicContact CG2-CE1 3.84Å; V175-F195 HydrophobicContact CG2-CE2 3.69Å; V175-F195 HydrophobicContact CG2-CG 3.92Å; V175-F195 HydrophobicContact CG2-CZ 3.73Å; V175-L409 HydrophobicContact CG2-CD1 4.25Å; V175-L413 HydrophobicContact CG1-CD1 4.04Å; V175-L413 HydrophobicContact CG2-CD1 4.33Å
176	R	91.4	Very high	86.7	Confident	92 Å²	92	39 Å²	39	35%	0.347	20%	0.2	S	C	.	.	H	α-helix	trans	-59.8	-46.1	178.6	-64.2	-163.8	167.7	145.9	-21	112.3	M26 F153 K172 A173 A174 Q178 W179 Q180	M26-R176 HydrophobicContact CE-CB 3.67Å; M26-R176 VanDerWaalsContact CE-CD 3.42Å; M26-R176 HydrophobicContact CE-CG 3.25Å; M26-R176 HydrophobicContact SD-CG 3.88Å; F153-R176 HydrophobicContact CE1-CG 4.25Å; K172-R176 VanDerWaalsContact CE-CZ 3.44Å; K172-R176 VanDerWaalsContact NZ-NH2 3.17Å; K172-R176 VanDerWaalsContact O-CG 3.27Å; K172-R176 WeakPolarHBondContact O-CG 3.38Å; K172-R176 PolarHBondContact O-N 3.3Å; A173-R176 WeakPolarHBondContact O-CB 3.48Å; A173-R176 PolarHBondContact O-N 2.86Å; A174-R176 VanDerWaalsContact C-N 3.29Å; A174-R176 PolarHBondContact O-N 2.9Å; R176-Q178 VanDerWaalsContact C-N 3.32Å; R176-Q178 PolarHBondContact O-N 2.88Å; R176-W179 PolarHBondContact O-N 2.79Å; R176-Q180 WeakPolarHBondContact O-CB 3.49Å; R176-Q180 VanDerWaalsContact O-CG 3.27Å; R176-Q180 WeakPolarHBondContact O-CG 3.25Å; R176-Q180 PolarHBondContact O-N 3.01Å
177	L	91	Very high	84.7	Confident	15 Å²	15	42.2 Å²	42.2	8%	0.079	23%	0.229	C	C	.	.	H	α-helix	trans	-64.9	-38.1	179.5	-74.3	171.4	0	0	0	111.8	A173 A174 V175 Q180 S181 V215 L217 I383	A173-L177 WeakPolarHBondContact O-CG 3.45Å; A173-L177 PolarHBondContact O-N 2.96Å; A174-L177 PolarHBondContact O-N 3.01Å; V175-L177 PolarHBondContact O-N 3.05Å; L177-Q180 PolarHBondContact O-N 2.86Å; L177-S181 WeakPolarHBondContact O-CB 3.3Å; L177-S181 PolarHBondContact O-N 3.25Å; L177-V215 HydrophobicContact CD1-CB 4.3Å; L177-V215 HydrophobicContact CD1-CG1 3.87Å; L177-L217 HydrophobicContact CB-CD2 4.48Å; L177-L217 HydrophobicContact CD2-CD1 4.42Å; L177-L217 HydrophobicContact CD2-CG 4.35Å; L177-I383 HydrophobicContact CB-CD1 3.9Å; L177-I383 HydrophobicContact CB-CG1 4.45Å
178	Q	90.7	Very high	82.4	Confident	2 Å²	2	47.4 Å²	47.4	1%	0.009	26%	0.256	C	S	.	.	H	α-helix	trans	-69.1	-42.1	178.3	-161.5	161.8	9.5	0	0	111.9	A174 V175 R176 S181 L182 F193 D196 I383	A174-Q178 PolarHBondContact O-N 3.08Å; V175-Q178 PolarHBondContact O-N 2.87Å; R176-Q178 VanDerWaalsContact C-N 3.32Å; R176-Q178 PolarHBondContact O-N 2.88Å; Q178-S181 PolarHBondContact O-N 2.95Å; Q178-L182 WeakPolarHBondContact O-CG 3.15Å; Q178-L182 PolarHBondContact O-N 3.43Å; Q178-F193 HydrophobicContact CB-CE2 4.43Å; Q178-F193 HydrophobicContact CB-CZ 4.4Å; Q178-F193 HydrophobicContact CG-CE2 4.38Å; Q178-D196 VanDerWaalsContact NE2-CB 3.35Å; Q178-D196 PolarHBondContact NE2-O 2.77Å; Q178-I383 HydrophobicContact CB-CD1 3.62Å; Q178-I383 HydrophobicContact CG-CD1 4.27Å
179	W	86.7	Confident	80.5	Confident	44 Å²	44	56.8 Å²	56.8	17%	0.167	29%	0.292	C	S	.	.	H	α-helix	trans	-58.1	-50.4	172.9	176	-112.2	0	0	0	111.4	F23 V175 R176 S181 L182 C183 F193	F23-W179 HydrophobicContact CB-CD2 4.5Å; F23-W179 HydrophobicContact CB-CH2 4.39Å; F23-W179 HydrophobicContact CB-CZ2 3.85Å; F23-W179 HydrophobicContact CD1-CD2 4.29Å; F23-W179 HydrophobicContact CD1-CG 4.31Å; F23-W179 HydrophobicContact CG-CD2 4.4Å; F23-W179 HydrophobicContact CG-CZ2 4.49Å; V175-W179 WeakPolarHBondContact O-CB 3.49Å; V175-W179 PolarHBondContact O-N 2.91Å; R176-W179 PolarHBondContact O-N 2.79Å; W179-S181 VanDerWaalsContact C-N 3.34Å; W179-S181 PolarHBondContact O-N 2.72Å; W179-L182 PolarHBondContact O-N 3.09Å; W179-C183 PolarHBondContact O-N 3.09Å; W179-C183 PolarHBondContact O-SG 2.96Å; W179-F193 HydrophobicContact CB-CE2 4.11Å; W179-F193 HydrophobicContact CB-CZ 4.33Å; W179-F193 HydrophobicContact CD2-CD2 4.45Å; W179-F193 HydrophobicContact CE3-CB 3.74Å; W179-F193 AromaticContact CE3-CD2 3.41Å; W179-F193 HydrophobicContact CE3-CD2 3.41Å; W179-F193 VanDerWaalsContact CE3-CD2 3.41Å; W179-F193 HydrophobicContact CE3-CE2 4.11Å; W179-F193 AromaticContact CE3-CG 3.62Å; W179-F193 HydrophobicContact CE3-CG 3.62Å; W179-F193 HydrophobicContact CZ3-CB 3.54Å; W179-F193 HydrophobicContact CZ3-CD2 4.03Å; W179-F193 AromaticContact CZ3-CG 3.99Å; W179-F193 HydrophobicContact CZ3-CG 3.99Å
180	Q	85.1	Confident	78.5	Confident	91 Å²	91	62.7 Å²	62.7	43%	0.425	31%	0.314	S	S	.	.	H	α-helix	trans	-60.7	-41.9	178.2	-73.4	173.7	-11.4	0	0	112.6	R176 L177 L182 C183 L184	R176-Q180 WeakPolarHBondContact O-CB 3.49Å; R176-Q180 VanDerWaalsContact O-CG 3.27Å; R176-Q180 WeakPolarHBondContact O-CG 3.25Å; R176-Q180 PolarHBondContact O-N 3.01Å; L177-Q180 PolarHBondContact O-N 2.86Å; Q180-L182 VanDerWaalsContact C-N 3.32Å; Q180-L182 PolarHBondContact O-N 2.87Å; Q180-C183 PolarHBondContact O-N 3.07Å; Q180-L184 WeakPolarHBondContact O-CG 3.38Å; Q180-L184 PolarHBondContact O-N 2.9Å; Q180-L184 VanDerWaalsContact O-N 3.1Å
181	S	81.4	Confident	76.9	Confident	10 Å²	10	65.3 Å²	65.3	7%	0.07	34%	0.338	C	S	.	.	H	α-helix	trans	-60.4	-41.8	176.8	-173.4	0	0	0	0	111.6	L177 Q178 W179 L184 Q185	L177-S181 WeakPolarHBondContact O-CB 3.3Å; L177-S181 PolarHBondContact O-N 3.25Å; Q178-S181 PolarHBondContact O-N 2.95Å; W179-S181 VanDerWaalsContact C-N 3.34Å; W179-S181 PolarHBondContact O-N 2.72Å; S181-L184 PolarHBondContact O-N 3.42Å; S181-Q185 WeakPolarHBondContact O-CG 3.48Å; S181-Q185 PolarHBondContact O-N 3.15Å
182	L	79.8	Confident	75.6	Confident	40 Å²	40	70.1 Å²	70.1	21%	0.209	37%	0.369	C	S	.	.	H	α-helix	trans	-66.8	-44.3	175.8	-71	168.9	0	0	0	112.4	Q178 W179 Q180 L184 Q185 Q186 F193	Q178-L182 WeakPolarHBondContact O-CG 3.15Å; Q178-L182 PolarHBondContact O-N 3.43Å; W179-L182 PolarHBondContact O-N 3.09Å; Q180-L182 VanDerWaalsContact C-N 3.32Å; Q180-L182 PolarHBondContact O-N 2.87Å; L182-L184 PolarHBondContact O-N 2.74Å; L182-Q185 PolarHBondContact O-N 3.2Å; L182-Q186 PolarHBondContact O-N 3.11Å; L182-F193 HydrophobicContact CD1-CD2 3.58Å; L182-F193 HydrophobicContact CD1-CE2 3.64Å
183	C	75.7	Confident	75	Confident	48 Å²	48	70 Å²	70	32%	0.324	37%	0.369	S	S	.	.	H	α-helix	trans	-59.9	-32.9	177.8	-67	0	0	0	0	112.7	W179 Q180	W179-C183 PolarHBondContact O-N 3.09Å; W179-C183 PolarHBondContact O-SG 2.96Å; Q180-C183 PolarHBondContact O-N 3.07Å
184	L	71.3	Confident	74.6	Confident	128 Å²	128	75.1 Å²	75.1	67%	0.67	39%	0.392	S	S	*	.	H	α-helix	trans	-75.2	-25.6	176.6	-69.5	169.3	0	0	0	113	Q180 S181 L182	Q180-L184 WeakPolarHBondContact O-CG 3.38Å; Q180-L184 PolarHBondContact O-N 2.9Å; Q180-L184 VanDerWaalsContact O-N 3.1Å; S181-L184 PolarHBondContact O-N 3.42Å; L182-L184 PolarHBondContact O-N 2.74Å
185	Q	63.8	Low	74.3	Confident	97 Å²	97	75.4 Å²	75.4	45%	0.453	39%	0.393	S	S	.	.	H	α-helix	trans	-97.8	-26.3	-174	-71.2	-176.1	0.1	0	0	114.4	S181 L182 G379	S181-Q185 WeakPolarHBondContact O-CG 3.48Å; S181-Q185 PolarHBondContact O-N 3.15Å; L182-Q185 PolarHBondContact O-N 3.2Å; Q185-G379 VanDerWaalsContact NE2-C 3.3Å; Q185-G379 VanDerWaalsContact NE2-CA 3.27Å; Q185-G379 PolarHBondContact NE2-O 3.17Å
186	Q	58	Low	74.2	Confident	109 Å²	109	78 Å²	78	51%	0.509	41%	0.407	S	S	.	.			trans	-108.2	116.6	-171.5	-112.9	170.9	10.8	0	0	113.4	L182 N188	L182-Q186 PolarHBondContact O-N 3.11Å; Q186-N188 PolarHBondContact O-N 3.48Å
187	A	48.9	Very low	74.3	Confident	103 Å²	103	74.6 Å²	74.6	85%	0.851	40%	0.396	S	S	*	.	S	Bend	trans	-78	0.2	168.7	0	0	0	0	0	113.7
188	N	47.6	Very low	74.3	Confident	112 Å²	112	77.4 Å²	77.4	60%	0.599	42%	0.416	S	S	*	.			trans	-130.6	96.7	-170.9	-152.6	10.8	0	0	0	111.5	Q186 M190	Q186-N188 PolarHBondContact O-N 3.48Å; N188-M190 PolarHBondContact O-N 2.76Å
189	W	54.5	Low	74.4	Confident	202 Å²	202	79.6 Å²	79.6	77%	0.765	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	15.4	-174.5	-65.3	88	0	0	0	115.8
190	M	53.2	Low	74.8	Confident	163 Å²	163	77.7 Å²	77.7	80%	0.803	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-13	-164.7	-67.9	-69.1	-68	0	0	114.3	N188	N188-M190 PolarHBondContact O-N 2.76Å
191	A	61.3	Low	75.3	Confident	68 Å²	68	74.4 Å²	74.4	56%	0.562	40%	0.403	S	S	*	.	S	Bend	trans	-103.3	132.9	-179.9	0	0	0	0	0	111.2
192	P	70.8	Confident	76	Confident	101 Å²	101	75.7 Å²	75.7	66%	0.656	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-64.7	144.5	174.7	27.7	-33.2	0	0	0	110.5	M194	P192-M194 PolarHBondContact O-N 2.91Å
193	F	81.7	Confident	76.7	Confident	31 Å²	31	74.2 Å²	74.2	14%	0.136	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-60.3	129.1	175.5	178	-111.6	0	0	0	110.8	F23 V175 Q178 W179 L182 F195 L413	F23-F193 HydrophobicContact CD2-CB 4.49Å; F23-F193 HydrophobicContact CD2-CD1 4.38Å; F23-F193 HydrophobicContact CE1-CD1 4.05Å; F23-F193 HydrophobicContact CE1-CE1 4.07Å; F23-F193 HydrophobicContact CE2-CB 4.24Å; F23-F193 AromaticContact CE2-CD1 3.5Å; F23-F193 HydrophobicContact CE2-CD1 3.5Å; F23-F193 VanDerWaalsContact CE2-CD1 3.5Å; F23-F193 HydrophobicContact CE2-CE1 4.23Å; F23-F193 HydrophobicContact CE2-CG 4.22Å; F23-F193 AromaticContact CZ-CD1 3.3Å; F23-F193 HydrophobicContact CZ-CD1 3.3Å; F23-F193 AromaticContact CZ-CE1 3.56Å; F23-F193 HydrophobicContact CZ-CE1 3.56Å; F23-F193 HydrophobicContact CZ-CG 4.3Å; V175-F193 HydrophobicContact CG1-CE1 3.79Å; V175-F193 HydrophobicContact CG1-CZ 4.03Å; Q178-F193 HydrophobicContact CB-CE2 4.43Å; Q178-F193 HydrophobicContact CB-CZ 4.4Å; Q178-F193 HydrophobicContact CG-CE2 4.38Å; W179-F193 HydrophobicContact CB-CE2 4.11Å; W179-F193 HydrophobicContact CB-CZ 4.33Å; W179-F193 HydrophobicContact CD2-CD2 4.45Å; W179-F193 HydrophobicContact CE3-CB 3.74Å; W179-F193 AromaticContact CE3-CD2 3.41Å; W179-F193 HydrophobicContact CE3-CD2 3.41Å; W179-F193 VanDerWaalsContact CE3-CD2 3.41Å; W179-F193 HydrophobicContact CE3-CE2 4.11Å; W179-F193 AromaticContact CE3-CG 3.62Å; W179-F193 HydrophobicContact CE3-CG 3.62Å; W179-F193 HydrophobicContact CZ3-CB 3.54Å; W179-F193 HydrophobicContact CZ3-CD2 4.03Å; W179-F193 AromaticContact CZ3-CG 3.99Å; W179-F193 HydrophobicContact CZ3-CG 3.99Å; L182-F193 HydrophobicContact CD1-CD2 3.58Å; L182-F193 HydrophobicContact CD1-CE2 3.64Å; F193-F195 HydrophobicContact CE1-CB 3.98Å; F193-F195 HydrophobicContact CZ-CB 4.25Å; F193-F195 HydrophobicContact CZ-CD2 4.5Å; F193-L413 HydrophobicContact CE1-CD1 4.35Å
194	M	84.4	Confident	77.5	Confident	121 Å²	121	73.3 Å²	73.3	60%	0.596	40%	0.397	S	S	*	.			trans	-118.3	125.3	167.1	-67.6	-168.5	69.1	0	0	109.1	P192 D196	P192-M194 PolarHBondContact O-N 2.91Å; M194-D196 PolarHBondContact O-N 3.09Å; M194-D196 VanDerWaalsContact O-N 3.09Å
195	F	90.6	Very high	78.4	Confident	6 Å²	6	67.4 Å²	67.4	3%	0.026	37%	0.367	C	S	.	.			trans	-70.3	105.4	172.8	-178.6	-140.1	0	0	0	109.2	V175 F193 I197 L200 V406 Y410 L413	V175-F195 HydrophobicContact CB-CD2 4.45Å; V175-F195 HydrophobicContact CB-CE2 4.46Å; V175-F195 HydrophobicContact CG2-CD1 3.94Å; V175-F195 HydrophobicContact CG2-CD2 3.76Å; V175-F195 HydrophobicContact CG2-CE1 3.84Å; V175-F195 HydrophobicContact CG2-CE2 3.69Å; V175-F195 HydrophobicContact CG2-CG 3.92Å; V175-F195 HydrophobicContact CG2-CZ 3.73Å; F193-F195 HydrophobicContact CE1-CB 3.98Å; F193-F195 HydrophobicContact CZ-CB 4.25Å; F193-F195 HydrophobicContact CZ-CD2 4.5Å; F195-I197 HydrophobicContact CD1-CG1 4.35Å; F195-I197 HydrophobicContact CE1-CG1 4.24Å; F195-I197 PolarHBondContact O-N 2.97Å; F195-L200 HydrophobicContact CZ-CD2 4.07Å; F195-V406 HydrophobicContact CE1-CG1 3.78Å; F195-V406 HydrophobicContact CZ-CG1 4.02Å; F195-Y410 HydrophobicContact CD1-CD2 4.36Å; F195-Y410 VanDerWaalsContact O-CD2 3.25Å; F195-Y410 WeakPolarHBondContact O-CD2 3.38Å; F195-Y410 WeakPolarHBondContact O-CE2 3.21Å; F195-L413 HydrophobicContact CB-CD1 4.06Å
196	D	90.9	Very high	79.6	Confident	54 Å²	54	65.8 Å²	65.8	29%	0.289	36%	0.364	S	S	.	.			trans	-92.1	98.9	-178.2	173.2	16.4	0	0	0	110.3	Q178 M194 S198 R199	Q178-D196 VanDerWaalsContact NE2-CB 3.35Å; Q178-D196 PolarHBondContact NE2-O 2.77Å; M194-D196 PolarHBondContact O-N 3.09Å; M194-D196 VanDerWaalsContact O-N 3.09Å; D196-S198 VanDerWaalsContact CG-OG 3.31Å; D196-S198 PolarHBondContact O-N 2.86Å; D196-S198 VanDerWaalsContact OD1-CB 3.3Å; D196-S198 WeakPolarHBondContact OD1-CB 3.44Å; D196-S198 PolarHBondContact OD1-N 3.44Å; D196-S198 PolarHBondContact OD1-OG 3.06Å; D196-S198 PolarHBondContact OD2-OG 3.26Å; D196-R199 PolarHBondContact O-N 3.44Å; D196-R199 WeakPolarHBondContact OD2-CD 3.08Å; D196-R199 WeakPolarHBondContact OD2-CG 3.45Å; D196-R199 IonicContact OD2-NE 3.88Å; D196-R199 PolarHBondContact OD2-NE 2.97Å
197	I	93.1	Very high	80.9	Confident	21 Å²	21	63.2 Å²	63.2	11%	0.108	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-63.1	-27.4	178.6	-60.2	166	0	0	0	112.2	F195 R199 L200 W403 V406 Y407 Y410	F195-I197 HydrophobicContact CD1-CG1 4.35Å; F195-I197 HydrophobicContact CE1-CG1 4.24Å; F195-I197 PolarHBondContact O-N 2.97Å; I197-R199 PolarHBondContact O-N 3.28Å; I197-R199 VanDerWaalsContact O-N 3.11Å; I197-L200 PolarHBondContact O-N 3.01Å; I197-W403 HydrophobicContact CG2-CH2 4.12Å; I197-W403 HydrophobicContact CG2-CZ3 3.5Å; I197-V406 HydrophobicContact CG1-CG1 4.28Å; I197-V406 HydrophobicContact CG2-CG1 4.43Å; I197-Y407 HydrophobicContact CD1-CD1 3.76Å; I197-Y407 HydrophobicContact CD1-CE1 3.63Å; I197-Y410 VanDerWaalsContact CD1-CB 3.47Å; I197-Y410 HydrophobicContact CD1-CD1 3.5Å; I197-Y410 HydrophobicContact CD1-CD2 3.34Å; I197-Y410 HydrophobicContact CD1-CE1 4Å; I197-Y410 HydrophobicContact CD1-CE2 3.85Å; I197-Y410 HydrophobicContact CD1-CG 3.13Å; I197-Y410 HydrophobicContact CG1-CD2 3.63Å; I197-Y410 HydrophobicContact CG1-CE2 4.21Å; I197-Y410 HydrophobicContact CG1-CG 3.86Å
198	S	91.8	Very high	82.7	Confident	74 Å²	74	59.3 Å²	59.3	52%	0.517	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-65.3	-19.5	-177	74.8	0	0	0	0	113	D196	D196-S198 VanDerWaalsContact CG-OG 3.31Å; D196-S198 PolarHBondContact O-N 2.86Å; D196-S198 VanDerWaalsContact OD1-CB 3.3Å; D196-S198 WeakPolarHBondContact OD1-CB 3.44Å; D196-S198 PolarHBondContact OD1-N 3.44Å; D196-S198 PolarHBondContact OD1-OG 3.06Å; D196-S198 PolarHBondContact OD2-OG 3.26Å
199	R	91.9	Very high	84.7	Confident	48 Å²	48	57 Å²	57	18%	0.181	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-94.6	2.5	176	-66.6	176	-179.9	-104.1	-0	113.7	D196 I197 E332 N381 L382 I383	D196-R199 PolarHBondContact O-N 3.44Å; D196-R199 WeakPolarHBondContact OD2-CD 3.08Å; D196-R199 WeakPolarHBondContact OD2-CG 3.45Å; D196-R199 IonicContact OD2-NE 3.88Å; D196-R199 PolarHBondContact OD2-NE 2.97Å; I197-R199 PolarHBondContact O-N 3.28Å; I197-R199 VanDerWaalsContact O-N 3.11Å; R199-E332 IonicContact CZ-OE2 3.61Å; R199-E332 IonicContact NH1-OE2 3.5Å; R199-E332 PolarHBondContact NH1-OE2 2.97Å; R199-E332 VanDerWaalsContact NH1-OE2 3.09Å; R199-E332 IonicContact NH2-OE1 3.75Å; R199-E332 IonicContact NH2-OE2 3.36Å; R199-E332 PolarHBondContact NH2-OE2 3.39Å; R199-N381 WeakPolarHBondContact CD-ND2 3.26Å; R199-N381 VanDerWaalsContact CD-O 3.26Å; R199-N381 WeakPolarHBondContact CD-O 3.28Å; R199-N381 VanDerWaalsContact NH1-CB 3.3Å; R199-N381 PolarHBondContact NH1-ND2 3.19Å; R199-N381 PolarHBondContact NH1-O 3.45Å; R199-L382 WeakPolarHBondContact O-CD1 3.38Å; R199-I383 PolarHBondContact O-N 2.88Å
200	L	95.7	Very high	86.3	Confident	4 Å²	4	51 Å²	51	2%	0.021	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	128.5	174.7	-180	60.7	0	0	0	110	A174 F195 I197 I383 A385 F402 W403 V406	A174-L200 HydrophobicContact CB-CD1 3.98Å; A174-L200 HydrophobicContact CB-CD2 4.21Å; F195-L200 HydrophobicContact CZ-CD2 4.07Å; I197-L200 PolarHBondContact O-N 3.01Å; L200-I383 CarbonylContact C-O 3.56Å; L200-I383 WeakPolarHBondContact CA-O 3.39Å; L200-I383 HydrophobicContact CD1-CB 4.04Å; L200-I383 HydrophobicContact CD1-CG2 3.65Å; L200-A385 HydrophobicContact CD1-CB 4.39Å; L200-F402 HydrophobicContact CD1-CZ 4.37Å; L200-F402 HydrophobicContact CD2-CE1 4.16Å; L200-F402 HydrophobicContact CD2-CZ 3.94Å; L200-F402 HydrophobicContact CG-CZ 4.46Å; L200-W403 HydrophobicContact CB-CH2 4.42Å; L200-W403 HydrophobicContact CD2-CH2 4.4Å; L200-W403 HydrophobicContact CD2-CZ3 4.25Å; L200-W403 HydrophobicContact CG-CH2 4.2Å; L200-W403 WeakPolarHBondContact O-CH2 3.34Å; L200-V406 HydrophobicContact CD2-CB 4.46Å; L200-V406 HydrophobicContact CD2-CG1 3.75Å; L200-V406 HydrophobicContact CD2-CG2 3.78Å
201	L	95.6	Very high	88	Confident	23 Å²	23	47.5 Å²	47.5	12%	0.12	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	159	178.8	-61.5	173.1	0	0	0	110.7	Y219 V326 L382 I383 T384 A385	L201-Y219 HydrophobicContact CD1-CD2 3.91Å; L201-Y219 HydrophobicContact CD1-CE2 4.2Å; L201-V326 HydrophobicContact CD1-CG2 3.26Å; L201-L382 HydrophobicContact CD1-CD1 3.82Å; L201-L382 HydrophobicContact CD1-CD2 4.02Å; L201-L382 HydrophobicContact CD1-CG 4.17Å; L201-L382 HydrophobicContact CG-CD1 4.22Å; L201-I383 PolarHBondContact N-O 3.2Å; L201-T384 HydrophobicContact CB-CG2 4.43Å; L201-T384 CarbonylContact O-C 3.59Å; L201-T384 WeakPolarHBondContact O-CA 3.27Å; L201-A385 PolarHBondContact O-N 2.83Å
202	T	96.1	Very high	89.4	Confident	37 Å²	37	49 Å²	49	23%	0.227	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	141.6	173	42.3	0	0	0	0	110.5	A385 L387 E399 F402 W403	T202-A385 CarbonylContact C-O 3.59Å; T202-A385 WeakPolarHBondContact CA-O 3.48Å; T202-L387 HydrophobicContact CG2-CD1 4.05Å; T202-E399 VanDerWaalsContact CB-OE1 3.29Å; T202-E399 WeakPolarHBondContact CB-OE1 3.38Å; T202-E399 HydrophobicContact CG2-CG 4.4Å; T202-E399 PolarHBondContact OG1-OE1 2.84Å; T202-F402 HydrophobicContact CG2-CD1 3.62Å; T202-F402 HydrophobicContact CG2-CE1 3.62Å; T202-W403 HydrophobicContact CG2-CZ2 3.88Å
203	C	94.3	Very high	90.4	Very high	9 Å²	9	44.8 Å²	44.8	6%	0.061	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	110.1	170.2	-176.8	0	0	0	0	109.1	V220 T384 A385 V386 L387	C203-V220 HydrophobicContact CB-CB 4.23Å; C203-V220 HydrophobicContact CB-CG1 4.26Å; C203-T384 HydrophobicContact CB-CG2 3.8Å; C203-A385 PolarHBondContact N-O 3.34Å; C203-V386 HydrophobicContact CB-CG2 4.23Å; C203-V386 CarbonylContact O-C 3.52Å; C203-V386 VanDerWaalsContact O-CA 3.3Å; C203-V386 WeakPolarHBondContact O-CA 3.49Å; C203-L387 PolarHBondContact O-N 3.33Å
204	C	93.1	Very high	91	Very high	29 Å²	29	45.4 Å²	45.4	20%	0.196	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	117.8	-173.3	-71.4	0	0	0	0	111.3	F222 L387 M395 E399	C204-F222 WeakPolarHBondContact O-CE2 3.49Å; C204-F222 WeakPolarHBondContact O-CZ 3.41Å; C204-L387 CarbonylContact C-O 3.55Å; C204-L387 WeakPolarHBondContact CA-O 3.32Å; C204-M395 HydrophobicContact CB-CG 3.52Å; C204-M395 HydrophobicContact CB-SD 3.65Å; C204-E399 PolarHBondContact SG-OE2 3.32Å
205	I	90.3	Very high	91.5	Very high	4 Å²	4	39.8 Å²	39.8	2%	0.021	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	101.7	-179.3	-45.7	-175.2	0	0	0	110.3	L208 F222 M360 A372 V386 L387 T388 M395	I205-L208 HydrophobicContact CG2-CD1 3.8Å; I205-F222 HydrophobicContact CB-CZ 4.22Å; I205-F222 HydrophobicContact CG1-CE1 4.3Å; I205-F222 HydrophobicContact CG1-CZ 3.73Å; I205-F222 HydrophobicContact CG2-CE1 4.39Å; I205-F222 HydrophobicContact CG2-CZ 4.25Å; I205-M360 HydrophobicContact CD1-CE 4.06Å; I205-M360 HydrophobicContact CG2-CE 4.4Å; I205-A372 HydrophobicContact CD1-CB 3.77Å; I205-V386 HydrophobicContact CD1-CG1 3.4Å; I205-V386 VanDerWaalsContact CD1-CG1 3.4Å; I205-V386 HydrophobicContact CG1-CG1 3.73Å; I205-L387 PolarHBondContact N-O 3.17Å; I205-T388 HydrophobicContact CB-CG2 4.28Å; I205-T388 WeakPolarHBondContact O-CA 3.49Å; I205-M395 VanDerWaalsContact O-CE 3.3Å; I205-M395 WeakPolarHBondContact O-CE 3.47Å
206	P	88.8	Confident	91.6	Very high	63 Å²	63	39.9 Å²	39.9	41%	0.409	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	153.7	179.9	30.2	-34.2	0	0	0	112.7	S389 S392 M395	P206-S389 CarbonylContact C-O 2.92Å; P206-S392 WeakPolarHBondContact CB-OG 3.44Å; P206-M395 VanDerWaalsContact CA-CE 3.43Å; P206-M395 HydrophobicContact CB-CE 3.96Å
207	G	84.9	Confident	91.6	Very high	54 Å²	54	40.1 Å²	40.1	56%	0.557	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	91.9	-1.1	173.9	0	0	0	0	0	115.1	S389	G207-S389 PolarHBondContact N-O 3.2Å
208	L	87.1	Confident	91.7	Very high	22 Å²	22	39.1 Å²	39.1	12%	0.115	23%	0.23	C	C	.	.	S	Bend	trans	-109.1	147.2	178.9	-68.5	169.7	0	0	0	111.7	I205 M360 T388 S389 P390	I205-L208 HydrophobicContact CG2-CD1 3.8Å; L208-M360 HydrophobicContact CD1-CE 3.14Å; L208-M360 HydrophobicContact CD1-SD 3.6Å; L208-M360 VanDerWaalsContact CD1-SD 3.6Å; L208-T388 HydrophobicContact CB-CG2 4.07Å; L208-T388 HydrophobicContact CD1-CG2 4.29Å; L208-S389 PolarHBondContact N-O 3.42Å; L208-S389 CarbonylContact O-C 3.58Å; L208-S389 VanDerWaalsContact O-CA 3.28Å; L208-S389 WeakPolarHBondContact O-CA 3.25Å; L208-S389 PolarHBondContact O-N 2.96Å; L208-P390 WeakPolarHBondContact O-CD 3.49Å
209	P	89	Confident	91.8	Very high	63 Å²	63	36.7 Å²	36.7	41%	0.409	21%	0.21	S	C	.	.			trans	-56.9	149.2	174.9	-22.2	32.4	0	0	0	111.9	T211 F212 T388	P209-T211 PolarHBondContact O-N 3.35Å; P209-T211 VanDerWaalsContact O-N 3.12Å; P209-F212 HydrophobicContact CB-CD2 4.01Å; P209-F212 HydrophobicContact CB-CE2 4.27Å; P209-F212 HydrophobicContact CG-CD2 4.09Å; P209-F212 HydrophobicContact CG-CE2 3.97Å; P209-F212 PolarHBondContact O-N 3.06Å; P209-F212 VanDerWaalsContact O-N 3.12Å; P209-T388 WeakPolarHBondContact O-CB 3.46Å; P209-T388 PolarHBondContact O-OG1 3.04Å
210	E	88.7	Confident	92	Very high	76 Å²	76	34.7 Å²	34.7	36%	0.355	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-63.2	-21.2	-178.5	-54.9	-156.1	155	0	0	113.5	F212 S213 T388 K398	E210-F212 PolarHBondContact O-N 3.37Å; E210-F212 VanDerWaalsContact O-N 3.15Å; E210-S213 VanDerWaalsContact O-CB 3.24Å; E210-S213 WeakPolarHBondContact O-CB 3.18Å; E210-S213 PolarHBondContact O-N 3.21Å; E210-S213 PolarHBondContact O-OG 2.93Å; E210-S213 VanDerWaalsContact O-OG 3.08Å; E210-T388 WeakPolarHBondContact CA-O 3.45Å; E210-T388 WeakPolarHBondContact CA-OG1 3.36Å; E210-K398 IonicContact OE1-NZ 2.93Å; E210-K398 PolarHBondContact OE1-NZ 3.37Å; E210-K398 IonicContact OE2-NZ 3.51Å; E210-K398 PolarHBondContact OE2-NZ 3.46Å
211	T	88.7	Confident	91.9	Very high	89 Å²	89	35.4 Å²	35.4	55%	0.546	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-62.9	-16.8	176.3	54.3	0	0	0	0	113.8	L42 P209 S213	L42-T211 HydrophobicContact CD1-CG2 4.04Å; P209-T211 PolarHBondContact O-N 3.35Å; P209-T211 VanDerWaalsContact O-N 3.12Å; T211-S213 VanDerWaalsContact C-N 3.33Å
212	F	89.1	Confident	91.7	Very high	99 Å²	99	37.1 Å²	37.1	43%	0.434	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-85.5	-5.5	174.5	-72	-94.6	0	0	0	113.4	P209 E210 R214 M360 T388	P209-F212 HydrophobicContact CB-CD2 4.01Å; P209-F212 HydrophobicContact CB-CE2 4.27Å; P209-F212 HydrophobicContact CG-CD2 4.09Å; P209-F212 HydrophobicContact CG-CE2 3.97Å; P209-F212 PolarHBondContact O-N 3.06Å; P209-F212 VanDerWaalsContact O-N 3.12Å; E210-F212 PolarHBondContact O-N 3.37Å; E210-F212 VanDerWaalsContact O-N 3.15Å; F212-R214 PolarHBondContact O-N 3.4Å; F212-M360 HydrophobicContact CD1-SD 4.38Å; F212-T388 HydrophobicContact CB-CG2 3.9Å
213	S	93.2	Very high	91.4	Very high	13 Å²	13	35.9 Å²	35.9	9%	0.091	21%	0.207	C	C	.	.			trans	-66.2	126.7	176.1	-61.9	0	0	0	0	109.1	E210 T211 V386 T388 K398	E210-S213 VanDerWaalsContact O-CB 3.24Å; E210-S213 WeakPolarHBondContact O-CB 3.18Å; E210-S213 PolarHBondContact O-N 3.21Å; E210-S213 PolarHBondContact O-OG 2.93Å; E210-S213 VanDerWaalsContact O-OG 3.08Å; T211-S213 VanDerWaalsContact C-N 3.33Å; S213-V386 CarbonylContact C-O 3.59Å; S213-V386 WeakPolarHBondContact CA-O 3.45Å; S213-V386 WeakPolarHBondContact CB-O 3.49Å; S213-T388 PolarHBondContact N-OG1 3.35Å; S213-T388 PolarHBondContact OG-N 2.91Å; S213-T388 PolarHBondContact OG-O 3.07Å; S213-T388 PolarHBondContact OG-OG1 3.29Å; S213-K398 WeakPolarHBondContact OG-CE 3.35Å
214	R	93.1	Very high	91.1	Very high	45 Å²	45	38.7 Å²	38.7	17%	0.17	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	157.4	-177	68.3	-174.4	169.5	154.1	-2.2	111.1	T37 F212 W359 V386	T37-R214 PolarHBondContact OG1-NH1 3.36Å; F212-R214 PolarHBondContact O-N 3.4Å; R214-W359 HydrophobicContact CG-CH2 3.57Å; R214-W359 HydrophobicContact CG-CZ2 3.16Å; R214-W359 VanDerWaalsContact CZ-CZ2 3.45Å; R214-W359 VanDerWaalsContact NH2-CE3 3.25Å; R214-W359 VanDerWaalsContact NH2-CG 3.3Å; R214-W359 PolarHBondContact NH2-O 3.35Å; R214-V386 PolarHBondContact N-O 3Å; R214-V386 PolarHBondContact O-N 3.27Å
215	V	95	Very high	90.7	Very high	3 Å²	3	39.4 Å²	39.4	2%	0.018	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	137.5	177.9	-172	0	0	0	0	109.1	L170 A173 A174 L177 I383 A385	L170-V215 HydrophobicContact CB-CG2 3.87Å; L170-V215 HydrophobicContact CD2-CG2 3.91Å; L170-V215 HydrophobicContact CG-CG2 4.49Å; L170-V215 WeakPolarHBondContact O-CG2 3.26Å; A173-V215 HydrophobicContact CB-CB 4.42Å; A173-V215 HydrophobicContact CB-CG2 4.48Å; A174-V215 HydrophobicContact CB-CG1 3.98Å; L177-V215 HydrophobicContact CD1-CB 4.3Å; L177-V215 HydrophobicContact CD1-CG1 3.87Å; V215-I383 HydrophobicContact CG1-CG2 3.23Å; V215-A385 HydrophobicContact CG2-CB 3.94Å
216	G	92.3	Very high	90.5	Very high	8 Å²	8	43 Å²	43	8%	0.082	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	158.7	179.4	0	0	0	0	0	112.9	I383 T384	G216-I383 WeakPolarHBondContact O-CA 3.44Å; G216-T384 PolarHBondContact N-O 3.46Å; G216-T384 PolarHBondContact O-N 3.34Å
217	L	92.8	Very high	90.4	Very high	59 Å²	59	40.2 Å²	40.2	31%	0.309	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	138.2	171.3	-71.8	165	0	0	0	110.1	L177 I383	L177-L217 HydrophobicContact CB-CD2 4.48Å; L177-L217 HydrophobicContact CD2-CD1 4.42Å; L177-L217 HydrophobicContact CD2-CG 4.35Å; L217-I383 HydrophobicContact CD2-CG1 3.94Å
218	G	93.3	Very high	90.6	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.215	C	C	.	.	S	Bend	trans	105.1	-170.6	-177.9	0	0	0	0	0	113.3	L375 L382 T384	G218-L375 CarbonylContact C-O 3.59Å; G218-L375 VanDerWaalsContact CA-O 3.32Å; G218-L375 WeakPolarHBondContact CA-O 3.48Å; G218-L382 PolarHBondContact N-O 3.47Å; G218-T384 PolarHBondContact O-N 3.04Å; G218-T384 PolarHBondContact O-OG1 2.99Å
219	Y	95.5	Very high	90.6	Very high	23 Å²	23	42.9 Å²	42.9	9%	0.09	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	119	-175.9	178.9	-131.1	0	0	0	110.5	L201 T221 V322 V326 F330 L375 L382 T384	L201-Y219 HydrophobicContact CD1-CD2 3.91Å; L201-Y219 HydrophobicContact CD1-CE2 4.2Å; Y219-T221 HydrophobicContact CD1-CG2 4.25Å; Y219-T221 HydrophobicContact CE1-CG2 3.74Å; Y219-T221 PolarHBondContact OH-OG1 3.4Å; Y219-V322 HydrophobicContact CE1-CG1 4.28Å; Y219-V322 HydrophobicContact CE1-CG2 4.38Å; Y219-V326 HydrophobicContact CD1-CG1 3.7Å; Y219-V326 HydrophobicContact CD2-CG1 3.99Å; Y219-V326 HydrophobicContact CD2-CG2 3.73Å; Y219-V326 HydrophobicContact CE1-CG1 4.01Å; Y219-V326 HydrophobicContact CE2-CG1 4.3Å; Y219-V326 HydrophobicContact CE2-CG2 3.69Å; Y219-V326 HydrophobicContact CG-CG1 3.7Å; Y219-V326 HydrophobicContact CG-CG2 4.3Å; Y219-F330 HydrophobicContact CD1-CE2 4.37Å; Y219-F330 HydrophobicContact CG-CE2 4.42Å; Y219-L375 HydrophobicContact CD1-CD1 4.1Å; Y219-L375 PolarHBondContact N-O 3.31Å; Y219-L375 PolarHBondContact O-N 2.96Å; Y219-L382 HydrophobicContact CD2-CD2 4.49Å; Y219-L382 HydrophobicContact CG-CD2 4.46Å; Y219-T384 WeakPolarHBondContact CA-OG1 3.38Å
220	V	95.1	Very high	90.7	Very high	5 Å²	5	40.1 Å²	40.1	3%	0.03	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	127.3	173.3	-176.3	0	0	0	0	109.8	C203 W359 A372 I373 L374 T384 V386	C203-V220 HydrophobicContact CB-CB 4.23Å; C203-V220 HydrophobicContact CB-CG1 4.26Å; V220-W359 HydrophobicContact CG1-CB 4.43Å; V220-W359 HydrophobicContact CG1-CD2 4.44Å; V220-W359 HydrophobicContact CG1-CG 4.24Å; V220-W359 HydrophobicContact CG2-CD2 4.17Å; V220-W359 HydrophobicContact CG2-CE3 4.05Å; V220-W359 HydrophobicContact CG2-CH2 4.49Å; V220-W359 HydrophobicContact CG2-CZ3 4.26Å; V220-A372 HydrophobicContact CG1-CB 4.23Å; V220-I373 VanDerWaalsContact CA-O 3.29Å; V220-I373 WeakPolarHBondContact CA-O 3.43Å; V220-I373 WeakPolarHBondContact CG1-O 3.42Å; V220-L374 HydrophobicContact CG2-CB 4.37Å; V220-L374 HydrophobicContact CG2-CD1 3.6Å; V220-T384 HydrophobicContact CB-CG2 3.77Å; V220-T384 HydrophobicContact CG2-CG2 4.12Å; V220-T384 PolarHBondContact N-OG1 3.29Å; V220-V386 HydrophobicContact CB-CG2 3.94Å; V220-V386 HydrophobicContact CG1-CG2 3.88Å; V220-V386 HydrophobicContact CG2-CG2 3.82Å
221	T	93.7	Very high	90.8	Very high	20 Å²	20	36.5 Å²	36.5	12%	0.123	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	166.3	-179.6	-166.6	0	0	0	0	112.3	Y219 I319 A372 I373	Y219-T221 HydrophobicContact CD1-CG2 4.25Å; Y219-T221 HydrophobicContact CE1-CG2 3.74Å; Y219-T221 PolarHBondContact OH-OG1 3.4Å; T221-I319 HydrophobicContact CG2-CD1 3.88Å; T221-I319 HydrophobicContact CG2-CG2 4.03Å; T221-A372 WeakPolarHBondContact O-CA 3.49Å; T221-I373 HydrophobicContact CG2-CD1 4.3Å; T221-I373 HydrophobicContact CG2-CG1 4.02Å; T221-I373 PolarHBondContact N-O 3.2Å; T221-I373 VanDerWaalsContact N-O 3.07Å; T221-I373 PolarHBondContact O-N 2.99Å
222	F	91.1	Very high	90.9	Very high	59 Å²	59	37.7 Å²	37.7	26%	0.259	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	136.5	179.7	-71.4	-74.5	0	0	0	112.2	C204 I205 R370 I371 A372	C204-F222 WeakPolarHBondContact O-CE2 3.49Å; C204-F222 WeakPolarHBondContact O-CZ 3.41Å; I205-F222 HydrophobicContact CB-CZ 4.22Å; I205-F222 HydrophobicContact CG1-CE1 4.3Å; I205-F222 HydrophobicContact CG1-CZ 3.73Å; I205-F222 HydrophobicContact CG2-CE1 4.39Å; I205-F222 HydrophobicContact CG2-CZ 4.25Å; F222-R370 HydrophobicContact CB-CB 4.35Å; F222-R370 HydrophobicContact CD1-CB 4.03Å; F222-I371 WeakPolarHBondContact CA-O 3.4Å; F222-A372 HydrophobicContact CD1-CB 4.38Å; F222-A372 HydrophobicContact CE1-CB 4.24Å
223	V	89.8	Confident	90.8	Very high	11 Å²	11	37.9 Å²	37.9	7%	0.067	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	160.5	172.4	-65.9	0	0	0	0	110.3	I231 L317 I319 R370 I371 I373	V223-I231 HydrophobicContact CG2-CD1 3.67Å; V223-L317 HydrophobicContact CG1-CD1 4.3Å; V223-I319 HydrophobicContact CG1-CD1 4.39Å; V223-I319 HydrophobicContact CG1-CG1 4.38Å; V223-R370 CarbonylContact O-C 3.59Å; V223-R370 VanDerWaalsContact O-CA 3.25Å; V223-R370 WeakPolarHBondContact O-CA 3.38Å; V223-I371 PolarHBondContact N-O 2.95Å; V223-I371 PolarHBondContact O-N 2.82Å; V223-I373 HydrophobicContact CG1-CD1 3.53Å; V223-I373 HydrophobicContact CG1-CG1 3.98Å; V223-I373 HydrophobicContact CG2-CD1 4.2Å; V223-I373 HydrophobicContact CG2-CG1 4.15Å; V223-I373 HydrophobicContact CG2-CG2 3.67Å
224	T	88.1	Confident	90.5	Very high	67 Å²	67	38.4 Å²	38.4	41%	0.411	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	151.2	179.2	49.3	0	0	0	0	111.5	S226 S227	T224-S226 WeakPolarHBondContact CB-OG 3.23Å; T224-S226 PolarHBondContact O-N 3.41Å; T224-S226 VanDerWaalsContact O-N 3.15Å; T224-S226 PolarHBondContact OG1-OG 3.49Å; T224-S227 WeakPolarHBondContact O-CB 3.28Å; T224-S227 PolarHBondContact O-N 3.02Å; T224-S227 PolarHBondContact OG1-OG 2.93Å
225	M	86.3	Confident	90.1	Very high	44 Å²	44	39.3 Å²	39.3	22%	0.217	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-58.6	-25.9	176.5	-73.6	-75.5	167	0	0	113.4	S227 I228 S368 N369 R370 I371	M225-S227 PolarHBondContact O-N 3.29Å; M225-I228 HydrophobicContact CB-CD1 4.5Å; M225-I228 WeakPolarHBondContact O-CD1 3.49Å; M225-I228 WeakPolarHBondContact O-CG1 3.46Å; M225-I228 PolarHBondContact O-N 3.36Å; M225-I228 HydrophobicContact SD-CD1 3.81Å; M225-S368 VanDerWaalsContact CE-O 3.22Å; M225-S368 WeakPolarHBondContact CE-O 3.28Å; M225-N369 WeakPolarHBondContact CG-OD1 3.3Å; M225-N369 PolarHBondContact N-O 3.1Å; M225-R370 WeakPolarHBondContact CE-O 3.06Å; M225-I371 HydrophobicContact CE-CB 4.45Å; M225-I371 HydrophobicContact CE-CD1 3.8Å; M225-I371 HydrophobicContact CE-CG1 3.16Å; M225-I371 HydrophobicContact CG-CG1 4.47Å; M225-I371 HydrophobicContact SD-CD1 3.28Å; M225-I371 WeakPolarHBondContact SD-CD1 3.48Å; M225-I371 HydrophobicContact SD-CG1 3.37Å; M225-I371 WeakPolarHBondContact SD-CG1 3.39Å
226	S	84.8	Confident	89.1	Confident	80 Å²	80	46.2 Å²	46.2	56%	0.559	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-60.1	-21.9	173.8	51.5	0	0	0	0	113.5	T224	T224-S226 WeakPolarHBondContact CB-OG 3.23Å; T224-S226 PolarHBondContact O-N 3.41Å; T224-S226 VanDerWaalsContact O-N 3.15Å; T224-S226 PolarHBondContact OG1-OG 3.49Å
227	S	87.1	Confident	88.8	Confident	5 Å²	5	52.2 Å²	52.2	4%	0.035	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-85.3	-3.7	-177.9	-53.8	0	0	0	0	114.1	T224 M225 T229 L230 I231 M312	T224-S227 WeakPolarHBondContact O-CB 3.28Å; T224-S227 PolarHBondContact O-N 3.02Å; T224-S227 PolarHBondContact OG1-OG 2.93Å; M225-S227 PolarHBondContact O-N 3.29Å; S227-T229 PolarHBondContact O-N 3.37Å; S227-L230 WeakPolarHBondContact O-CB 3.44Å; S227-L230 PolarHBondContact O-N 3.23Å; S227-I231 VanDerWaalsContact O-CD1 3.23Å; S227-I231 WeakPolarHBondContact O-CD1 3.38Å; S227-I231 WeakPolarHBondContact O-CG1 3.4Å; S227-I231 PolarHBondContact O-N 3.48Å; S227-M312 PolarHBondContact OG-SD 3.48Å; S227-M312 VanDerWaalsContact OG-SD 3.37Å
228	I	88.3	Confident	88.6	Confident	39 Å²	39	54.2 Å²	54.2	20%	0.2	29%	0.288	C	S	.	.	H	α-helix	trans	-54.6	-49.6	-176.2	-69.1	166.1	0	0	0	112.5	M225 L230 I231 K232 F358 I371	M225-I228 HydrophobicContact CB-CD1 4.5Å; M225-I228 WeakPolarHBondContact O-CD1 3.49Å; M225-I228 WeakPolarHBondContact O-CG1 3.46Å; M225-I228 PolarHBondContact O-N 3.36Å; M225-I228 HydrophobicContact SD-CD1 3.81Å; I228-L230 VanDerWaalsContact C-N 3.31Å; I228-L230 PolarHBondContact O-N 3.42Å; I228-I231 PolarHBondContact O-N 3.16Å; I228-K232 HydrophobicContact CG2-CD 4.16Å; I228-K232 HydrophobicContact CG2-CG 4.48Å; I228-K232 WeakPolarHBondContact O-CG 3.44Å; I228-K232 PolarHBondContact O-N 3.19Å; I228-F358 HydrophobicContact CG2-CZ 4.11Å; I228-I371 HydrophobicContact CD1-CD1 3.41Å; I228-I371 VanDerWaalsContact CD1-CD1 3.41Å; I228-I371 HydrophobicContact CG1-CD1 3.1Å
229	T	88.6	Confident	88.6	Confident	93 Å²	93	54.9 Å²	54.9	57%	0.571	29%	0.291	S	S	*	.	H	α-helix	trans	-62.7	-43.7	-176.8	48	0	0	0	0	110.3	S227 K232 E233	S227-T229 PolarHBondContact O-N 3.37Å; T229-K232 PolarHBondContact O-N 3.18Å; T229-E233 WeakPolarHBondContact O-CG 3.46Å; T229-E233 PolarHBondContact O-N 3.24Å; T229-E233 VanDerWaalsContact O-N 3.07Å
230	L	90.3	Very high	88.5	Confident	5 Å²	5	56.3 Å²	56.3	3%	0.026	30%	0.297	C	S	.	.	H	α-helix	trans	-60.3	-48.3	174.9	178.5	59.9	0	0	0	111.6	S227 I228 K232 E233 L234 M312 K315 L317	S227-L230 WeakPolarHBondContact O-CB 3.44Å; S227-L230 PolarHBondContact O-N 3.23Å; I228-L230 VanDerWaalsContact C-N 3.31Å; I228-L230 PolarHBondContact O-N 3.42Å; L230-K232 VanDerWaalsContact C-N 3.3Å; L230-K232 PolarHBondContact O-N 2.89Å; L230-E233 PolarHBondContact O-N 3.43Å; L230-E233 VanDerWaalsContact O-N 3.1Å; L230-L234 HydrophobicContact CD1-CD1 3.86Å; L230-L234 HydrophobicContact CD1-CD2 4.46Å; L230-L234 HydrophobicContact CD1-CG 3.95Å; L230-L234 HydrophobicContact CD2-CD1 4.49Å; L230-L234 HydrophobicContact CG-CD1 3.87Å; L230-L234 HydrophobicContact CG-CG 4.3Å; L230-L234 VanDerWaalsContact O-CG 3.29Å; L230-L234 WeakPolarHBondContact O-CG 3.36Å; L230-L234 PolarHBondContact O-N 2.98Å; L230-M312 HydrophobicContact CB-CE 3.78Å; L230-M312 HydrophobicContact CD2-CE 3.8Å; L230-M312 HydrophobicContact CD2-SD 3.62Å; L230-M312 HydrophobicContact CG-CE 4.43Å; L230-K315 HydrophobicContact CD1-CB 3.75Å; L230-L317 HydrophobicContact CD2-CB 4.13Å
231	I	90.8	Very high	88.6	Confident	0 Å²	0	56 Å²	56	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-62.3	-39.4	-179.3	-63.4	150.7	0	0	0	110.9	V223 S227 I228 E233 L234 Q235 V356 F358 I373	V223-I231 HydrophobicContact CG2-CD1 3.67Å; S227-I231 VanDerWaalsContact O-CD1 3.23Å; S227-I231 WeakPolarHBondContact O-CD1 3.38Å; S227-I231 WeakPolarHBondContact O-CG1 3.4Å; S227-I231 PolarHBondContact O-N 3.48Å; I228-I231 PolarHBondContact O-N 3.16Å; I231-E233 VanDerWaalsContact C-N 3.31Å; I231-E233 PolarHBondContact O-N 2.99Å; I231-L234 PolarHBondContact O-N 3.14Å; I231-Q235 WeakPolarHBondContact O-CB 3.39Å; I231-Q235 PolarHBondContact O-N 3.31Å; I231-V356 HydrophobicContact CG2-CG1 4.25Å; I231-V356 HydrophobicContact CG2-CG2 4.03Å; I231-F358 HydrophobicContact CB-CE1 4.04Å; I231-F358 HydrophobicContact CB-CE2 4.11Å; I231-F358 HydrophobicContact CB-CZ 3.58Å; I231-F358 HydrophobicContact CD1-CE1 3.96Å; I231-F358 HydrophobicContact CD1-CZ 4.28Å; I231-F358 HydrophobicContact CG2-CD1 4.18Å; I231-F358 HydrophobicContact CG2-CD2 4.05Å; I231-F358 HydrophobicContact CG2-CE1 3.74Å; I231-F358 HydrophobicContact CG2-CE2 3.58Å; I231-F358 HydrophobicContact CG2-CG 4.33Å; I231-F358 HydrophobicContact CG2-CZ 3.43Å; I231-F358 VanDerWaalsContact CG2-CZ 3.43Å; I231-I373 HydrophobicContact CD1-CG2 3.65Å; I231-I373 HydrophobicContact CG1-CG2 4.25Å; I231-I373 HydrophobicContact CG2-CG2 4.21Å
232	K	90	Very high	88.7	Confident	113 Å²	113	55.1 Å²	55.1	49%	0.491	29%	0.289	S	S	.	.	H	α-helix	trans	-63.1	-36.3	174.7	-74.4	-179.1	177.9	-177.4	0	112.8	I228 T229 L230 F358	I228-K232 HydrophobicContact CG2-CD 4.16Å; I228-K232 HydrophobicContact CG2-CG 4.48Å; I228-K232 WeakPolarHBondContact O-CG 3.44Å; I228-K232 PolarHBondContact O-N 3.19Å; T229-K232 PolarHBondContact O-N 3.18Å; L230-K232 VanDerWaalsContact C-N 3.3Å; L230-K232 PolarHBondContact O-N 2.89Å; K232-F358 HydrophobicContact CG-CE2 3.58Å; K232-F358 HydrophobicContact CG-CZ 4.03Å
233	E	88.2	Confident	89	Confident	104 Å²	104	52.3 Å²	52.3	49%	0.486	28%	0.277	S	S	.	.	H	α-helix	trans	-73.2	-31.9	176.4	-71.6	-178.9	-168.7	0	0	112.5	T229 L230 I231 K315	T229-E233 WeakPolarHBondContact O-CG 3.46Å; T229-E233 PolarHBondContact O-N 3.24Å; T229-E233 VanDerWaalsContact O-N 3.07Å; L230-E233 PolarHBondContact O-N 3.43Å; L230-E233 VanDerWaalsContact O-N 3.1Å; I231-E233 VanDerWaalsContact C-N 3.31Å; I231-E233 PolarHBondContact O-N 2.99Å; E233-K315 IonicContact OE1-NZ 3.58Å; E233-K315 WeakPolarHBondContact OE2-CD 3.38Å; E233-K315 WeakPolarHBondContact OE2-CE 3.46Å; E233-K315 IonicContact OE2-NZ 3.34Å; E233-K315 PolarHBondContact OE2-NZ 3.01Å
234	L	87.4	Confident	89.3	Confident	24 Å²	24	51.8 Å²	51.8	13%	0.126	27%	0.274	C	S	.	.	H	α-helix	trans	-84.9	-16	177.7	-63.9	-177.9	0	0	0	113.3	L230 I231 D236 Q237 F239 T295 V356	L230-L234 HydrophobicContact CD1-CD1 3.86Å; L230-L234 HydrophobicContact CD1-CD2 4.46Å; L230-L234 HydrophobicContact CD1-CG 3.95Å; L230-L234 HydrophobicContact CD2-CD1 4.49Å; L230-L234 HydrophobicContact CG-CD1 3.87Å; L230-L234 HydrophobicContact CG-CG 4.3Å; L230-L234 VanDerWaalsContact O-CG 3.29Å; L230-L234 WeakPolarHBondContact O-CG 3.36Å; L230-L234 PolarHBondContact O-N 2.98Å; I231-L234 PolarHBondContact O-N 3.14Å; L234-D236 PolarHBondContact O-N 2.8Å; L234-Q237 PolarHBondContact O-N 3.35Å; L234-F239 HydrophobicContact CB-CD1 4.36Å; L234-F239 HydrophobicContact CB-CE1 4.24Å; L234-T295 HydrophobicContact CD1-CG2 3.71Å; L234-T295 HydrophobicContact CD2-CG2 3.39Å; L234-T295 HydrophobicContact CG-CG2 4.19Å; L234-V356 HydrophobicContact CB-CG1 3.59Å
235	Q	83.3	Confident	89.5	Confident	64 Å²	64	53.6 Å²	53.6	30%	0.299	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	134.8	173.9	-164.2	165.9	0.5	0	0	108.4	I231	I231-Q235 WeakPolarHBondContact O-CB 3.39Å; I231-Q235 PolarHBondContact O-N 3.31Å
236	D	75.6	Confident	89.7	Confident	148 Å²	148	51.6 Å²	51.6	79%	0.791	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.9	4.5	179	-44.7	-43	0	0	0	117.5	L234	L234-D236 PolarHBondContact O-N 2.8Å
237	Q	84.3	Confident	90	Very high	133 Å²	133	50.3 Å²	50.3	62%	0.621	26%	0.255	S	S	*	.	S	Bend	trans	-127.7	134.6	173.2	-62.1	-170.8	9.4	0	0	112.6	L234 F239	L234-Q237 PolarHBondContact O-N 3.35Å; Q237-F239 WeakPolarHBondContact O-CD1 3.37Å
238	P	89.7	Confident	90.2	Very high	101 Å²	101	50.3 Å²	50.3	66%	0.656	26%	0.255	S	S	*	.			trans	-70.8	133.2	168.8	29.1	-31.6	0	0	0	109.8	V354	P238-V354 CarbonylContact C-O 3.4Å; P238-V354 VanDerWaalsContact CA-O 3.31Å; P238-V354 WeakPolarHBondContact CA-O 3.38Å
239	F	92.5	Very high	90.3	Very high	14 Å²	14	49.5 Å²	49.5	6%	0.061	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	168.1	-178.7	51.7	-101.5	0	0	0	112.8	L234 Q237 T295 L296 G353 V354 V356 L375	L234-F239 HydrophobicContact CB-CD1 4.36Å; L234-F239 HydrophobicContact CB-CE1 4.24Å; Q237-F239 WeakPolarHBondContact O-CD1 3.37Å; F239-T295 HydrophobicContact CB-CG2 4.08Å; F239-T295 HydrophobicContact CD2-CG2 4.43Å; F239-T295 HydrophobicContact CG-CG2 4.14Å; F239-L296 HydrophobicContact CD2-CB 3.8Å; F239-L296 HydrophobicContact CE2-CB 3.47Å; F239-L296 VanDerWaalsContact CE2-CB 3.47Å; F239-L296 HydrophobicContact CE2-CD2 3.79Å; F239-L296 HydrophobicContact CE2-CG 4.19Å; F239-G353 PolarHBondContact O-N 3.44Å; F239-V354 WeakPolarHBondContact CD1-O 3.41Å; F239-V354 HydrophobicContact CD2-CB 4.13Å; F239-V354 WeakPolarHBondContact CE1-O 3.38Å; F239-V354 HydrophobicContact CE2-CB 3.69Å; F239-V354 HydrophobicContact CE2-CG1 3.63Å; F239-V354 HydrophobicContact CZ-CB 4.23Å; F239-V354 HydrophobicContact CZ-CG1 3.86Å; F239-V354 PolarHBondContact N-O 3.44Å; F239-V354 PolarHBondContact O-N 3.15Å; F239-V356 HydrophobicContact CE1-CB 3.99Å; F239-V356 HydrophobicContact CE1-CG1 3.73Å; F239-V356 HydrophobicContact CZ-CB 3.89Å; F239-V356 HydrophobicContact CZ-CG1 4.08Å; F239-L375 HydrophobicContact CZ-CD2 4.46Å
240	R	94.8	Very high	90.2	Very high	53 Å²	53	47.3 Å²	47.3	20%	0.2	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	142.5	-177.7	-62.3	-176.1	75.5	174.3	12.5	111.4	F292 N293 T295 L296 E347 V350 G351	R240-F292 PolarHBondContact NE-O 2.91Å; R240-F292 PolarHBondContact NH1-O 3.39Å; R240-N293 WeakPolarHBondContact CB-O 3.33Å; R240-N293 WeakPolarHBondContact CD-O 3.47Å; R240-T295 PolarHBondContact O-N 2.75Å; R240-L296 PolarHBondContact O-N 3.4Å; R240-L296 VanDerWaalsContact O-N 3.08Å; R240-E347 IonicContact CZ-OE1 2.64Å; R240-E347 IonicContact CZ-OE2 3.19Å; R240-E347 IonicContact NH1-OE1 2.98Å; R240-E347 PolarHBondContact NH1-OE1 2.75Å; R240-E347 IonicContact NH1-OE2 2.89Å; R240-E347 IonicContact NH2-OE1 3.6Å; R240-E347 PolarHBondContact NH2-OE1 2.89Å; R240-E347 IonicContact NH2-OE2 2.75Å; R240-E347 PolarHBondContact NH2-OE2 2.64Å; R240-V350 HydrophobicContact CB-CG1 3.81Å; R240-V350 HydrophobicContact CG-CG1 4.37Å; R240-G351 CarbonylContact C-O 3.56Å; R240-G351 VanDerWaalsContact CA-O 3.23Å; R240-G351 WeakPolarHBondContact CA-O 3.39Å
241	V	95.9	Very high	89.9	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	143.9	-175.5	63.5	0	0	0	0	111.9	L243 L296 L298 T334 G351 V354	V241-L243 HydrophobicContact CG2-CD2 3.99Å; V241-L296 VanDerWaalsContact CA-O 3.28Å; V241-L296 WeakPolarHBondContact CA-O 3.46Å; V241-L296 HydrophobicContact CB-CB 4.31Å; V241-L296 HydrophobicContact CB-CD2 4.36Å; V241-L296 HydrophobicContact CG2-CB 4.13Å; V241-L296 HydrophobicContact CG2-CD2 3.79Å; V241-L296 HydrophobicContact CG2-CG 3.9Å; V241-L298 HydrophobicContact CG2-CD1 4.4Å; V241-L298 HydrophobicContact CG2-CG 4.25Å; V241-T334 HydrophobicContact CG1-CG2 4.06Å; V241-G351 PolarHBondContact N-O 3.35Å; V241-G351 PolarHBondContact O-N 3Å; V241-V354 HydrophobicContact CB-CG2 3.92Å; V241-V354 HydrophobicContact CG1-CG2 3.6Å
242	I	96.8	Very high	89.5	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	144.7	163.9	-70.4	168.2	0	0	0	109.3	I244 L289 V294 L296 L298 V339 V345 V350	I242-I244 HydrophobicContact CG2-CD1 4.31Å; I242-I244 HydrophobicContact CG2-CG1 3.81Å; I242-L289 HydrophobicContact CD1-CD2 3.92Å; I242-V294 HydrophobicContact CB-CG1 4.2Å; I242-V294 HydrophobicContact CD1-CB 3.99Å; I242-V294 HydrophobicContact CD1-CG1 3.86Å; I242-V294 HydrophobicContact CD1-CG2 3.52Å; I242-V294 HydrophobicContact CG1-CB 4.34Å; I242-V294 HydrophobicContact CG1-CG1 3.82Å; I242-V294 HydrophobicContact CG1-CG2 3.78Å; I242-L296 PolarHBondContact N-O 2.84Å; I242-L298 PolarHBondContact O-N 3.26Å; I242-V339 HydrophobicContact CG2-CG2 4.35Å; I242-V345 HydrophobicContact CD1-CB 4.29Å; I242-V345 HydrophobicContact CD1-CG1 3.4Å; I242-V345 VanDerWaalsContact CD1-CG1 3.4Å; I242-V345 HydrophobicContact CD1-CG2 3.87Å; I242-V345 HydrophobicContact CG1-CG1 4.28Å; I242-V345 HydrophobicContact CG2-CG2 4.08Å; I242-V350 HydrophobicContact CD1-CG2 4.18Å; I242-V350 HydrophobicContact CG1-CG2 3.91Å
243	L	96.9	Very high	89.1	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	124.1	177.5	-51.8	178.2	0	0	0	109.2	V241 L298 L327 F330 A331 A336 P338 V339	V241-L243 HydrophobicContact CG2-CD2 3.99Å; L243-L298 HydrophobicContact CD2-CB 4.01Å; L243-L298 HydrophobicContact CD2-CD1 3.87Å; L243-L298 HydrophobicContact CD2-CG 4.29Å; L243-L327 HydrophobicContact CB-CD2 4.2Å; L243-L327 WeakPolarHBondContact CD1-O 3.4Å; L243-L327 HydrophobicContact CD2-CD2 3.92Å; L243-F330 HydrophobicContact CD1-CB 4.33Å; L243-F330 HydrophobicContact CD2-CB 3.96Å; L243-A331 HydrophobicContact CD1-CB 3.61Å; L243-A336 HydrophobicContact CD1-CB 3.63Å; L243-A336 HydrophobicContact CG-CB 3.87Å; L243-P338 HydrophobicContact CB-CB 4.33Å; L243-P338 HydrophobicContact CB-CG 4.43Å; L243-P338 HydrophobicContact CD1-CG 4.24Å; L243-V339 PolarHBondContact O-N 3.28Å
244	I	95.4	Very high	88.7	Confident	1 Å²	1	52.3 Å²	52.3	1%	0.005	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	119.8	-178.2	-54.5	-175.7	0	0	0	109.8	I242 L248 I297 L298 V299 Q300 V339 V342	I242-I244 HydrophobicContact CG2-CD1 4.31Å; I242-I244 HydrophobicContact CG2-CG1 3.81Å; I244-L248 HydrophobicContact CD1-CD1 3.83Å; I244-L248 HydrophobicContact CD1-CD2 4.23Å; I244-I297 HydrophobicContact CD1-CG2 3.93Å; I244-I297 HydrophobicContact CG1-CG2 4.46Å; I244-L298 PolarHBondContact N-O 2.93Å; I244-V299 HydrophobicContact CB-CG1 4.23Å; I244-V299 HydrophobicContact CB-CG2 4.25Å; I244-V299 HydrophobicContact CD1-CG2 4.42Å; I244-V299 HydrophobicContact CG2-CG1 4.25Å; I244-V299 CarbonylContact O-C 3.56Å; I244-V299 WeakPolarHBondContact O-CA 3.37Å; I244-Q300 PolarHBondContact O-N 3.1Å; I244-V339 CarbonylContact C-O 3.55Å; I244-V339 VanDerWaalsContact CA-O 3.25Å; I244-V339 WeakPolarHBondContact CA-O 3.45Å; I244-V339 HydrophobicContact CG1-CG2 4.33Å; I244-V342 HydrophobicContact CD1-CB 4.37Å
245	E	93.6	Very high	88	Confident	104 Å²	104	59.8 Å²	59.8	49%	0.486	30%	0.301	S	S	.	.	S	Bend	trans	-80.8	-27.4	178.4	-62.5	-175.8	159.7	0	0	112.5	L327 P338 V339	E245-L327 HydrophobicContact CG-CD1 4.47Å; E245-P338 HydrophobicContact CG-CB 3.86Å; E245-V339 PolarHBondContact N-O 3.2Å
246	G	90.1	Very high	87.4	Confident	2 Å²	2	60 Å²	60	2%	0.021	32%	0.321	C	S	.	.	S	Bend	trans	-83.5	-173	179	0	0	0	0	0	114.3	Y252 V299 G301	G246-Y252 WeakPolarHBondContact CA-OH 3.31Å; G246-V299 WeakPolarHBondContact O-CG1 3.45Å; G246-G301 WeakPolarHBondContact O-CA 3.4Å; G246-G301 PolarHBondContact O-N 2.6Å
247	D	90.9	Very high	87.1	Confident	54 Å²	54	59 Å²	59	29%	0.289	31%	0.31	S	S	.	.			trans	-82.5	144.4	167	-58.7	-42.6	0	0	0	110.2	T249 Y252 G301 S302	D247-T249 HydrophobicContact CB-CG2 4.43Å; D247-T249 PolarHBondContact O-N 2.8Å; D247-Y252 HydrophobicContact CB-CD2 3.42Å; D247-Y252 VanDerWaalsContact CB-CD2 3.42Å; D247-Y252 HydrophobicContact CB-CE2 4.08Å; D247-Y252 HydrophobicContact CB-CG 3.67Å; D247-Y252 WeakPolarHBondContact O-CD1 3.42Å; D247-Y252 VanDerWaalsContact OD2-CD2 3.24Å; D247-Y252 WeakPolarHBondContact OD2-CD2 3.41Å; D247-G301 WeakPolarHBondContact OD1-CA 3.3Å; D247-S302 CarbonylContact C-O 3.58Å; D247-S302 WeakPolarHBondContact CA-O 3.44Å; D247-S302 VanDerWaalsContact CG-OG 3.25Å; D247-S302 PolarHBondContact OD1-N 3.31Å; D247-S302 PolarHBondContact OD1-OG 2.83Å
248	L	91.2	Very high	86.2	Confident	4 Å²	4	59.9 Å²	59.9	2%	0.021	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-99.9	68.5	173.1	-164.9	62.5	0	0	0	109.7	I244 W281 V285 I297 V299 S302 V303 S304 L307 V318 V342	I244-L248 HydrophobicContact CD1-CD1 3.83Å; I244-L248 HydrophobicContact CD1-CD2 4.23Å; L248-W281 HydrophobicContact CD1-CH2 4.45Å; L248-W281 HydrophobicContact CD1-CZ2 4.37Å; L248-W281 HydrophobicContact CG-CH2 4.35Å; L248-V285 HydrophobicContact CD1-CG1 4.45Å; L248-I297 HydrophobicContact CD2-CG2 4.07Å; L248-V299 HydrophobicContact CB-CG1 4.08Å; L248-V299 HydrophobicContact CB-CG2 4.16Å; L248-V299 HydrophobicContact CD2-CG2 4.04Å; L248-S302 PolarHBondContact N-O 2.85Å; L248-V303 HydrophobicContact CB-CG2 4.37Å; L248-V303 HydrophobicContact CD2-CG1 4.46Å; L248-S304 PolarHBondContact O-N 3.46Å; L248-L307 HydrophobicContact CD1-CD2 4.24Å; L248-L307 HydrophobicContact CD2-CD2 3.41Å; L248-L307 VanDerWaalsContact CD2-CD2 3.41Å; L248-L307 HydrophobicContact CG-CD2 3.42Å; L248-L307 VanDerWaalsContact CG-CD2 3.42Å; L248-V318 HydrophobicContact CD2-CG1 4.49Å; L248-V342 HydrophobicContact CD1-CB 3.97Å; L248-V342 HydrophobicContact CD1-CG1 4.1Å
249	T	89.9	Confident	84.9	Confident	23 Å²	23	61.6 Å²	61.6	14%	0.141	32%	0.316	C	S	.	.	S	Bend	trans	-137.4	153.2	179.2	63.3	0	0	0	0	111	D247 S251 Y252 W281	D247-T249 HydrophobicContact CB-CG2 4.43Å; D247-T249 PolarHBondContact O-N 2.8Å; T249-S251 PolarHBondContact O-N 3.28Å; T249-S251 PolarHBondContact OG1-OG 2.88Å; T249-Y252 PolarHBondContact O-N 3.01Å; T249-Y252 PolarHBondContact OG1-N 2.84Å; T249-W281 VanDerWaalsContact C-CH2 3.46Å; T249-W281 VanDerWaalsContact CA-CH2 3.49Å; T249-W281 WeakPolarHBondContact O-CZ2 3.41Å
250	E	87	Confident	83.3	Confident	47 Å²	47	64.3 Å²	64.3	22%	0.22	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-32.6	175.5	-177.2	-78.3	148.7	0	0	111.6	R253 K259 W281	E250-R253 PolarHBondContact O-NH1 3.48Å; E250-R253 PolarHBondContact O-NH2 3.36Å; E250-R253 VanDerWaalsContact O-NH2 3.13Å; E250-R253 IonicContact OE1-NH2 3.39Å; E250-R253 PolarHBondContact OE1-NH2 2.84Å; E250-K259 IonicContact OE1-NZ 3.81Å; E250-K259 IonicContact OE2-NZ 3.05Å; E250-W281 HydrophobicContact CB-CB 4.49Å; E250-W281 HydrophobicContact CB-CD2 3.99Å; E250-W281 HydrophobicContact CB-CE3 4.08Å; E250-W281 HydrophobicContact CB-CG 4.16Å; E250-W281 HydrophobicContact CG-CB 4.23Å; E250-W281 HydrophobicContact CG-CG 4.23Å
251	S	83.4	Confident	81.5	Confident	81 Å²	81	68.2 Å²	68.2	57%	0.566	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-10.2	-173.4	58.3	0	0	0	0	114	T249 R253	T249-S251 PolarHBondContact O-N 3.28Å; T249-S251 PolarHBondContact OG1-OG 2.88Å; S251-R253 PolarHBondContact O-N 3.46Å
252	Y	83.7	Confident	79.5	Confident	55 Å²	55	75.6 Å²	75.6	22%	0.216	41%	0.405	C	S	.	.			trans	-63.5	124.1	-175.8	-177.5	-117.1	0	0	0	112.7	G246 D247 T249 Y341	G246-Y252 WeakPolarHBondContact CA-OH 3.31Å; D247-Y252 HydrophobicContact CB-CD2 3.42Å; D247-Y252 VanDerWaalsContact CB-CD2 3.42Å; D247-Y252 HydrophobicContact CB-CE2 4.08Å; D247-Y252 HydrophobicContact CB-CG 3.67Å; D247-Y252 WeakPolarHBondContact O-CD1 3.42Å; D247-Y252 VanDerWaalsContact OD2-CD2 3.24Å; D247-Y252 WeakPolarHBondContact OD2-CD2 3.41Å; T249-Y252 PolarHBondContact O-N 3.01Å; T249-Y252 PolarHBondContact OG1-N 2.84Å; Y252-Y341 AromaticContact CD1-CD1 3.96Å; Y252-Y341 HydrophobicContact CD1-CD1 3.96Å; Y252-Y341 AromaticContact CD1-CE1 3.45Å; Y252-Y341 HydrophobicContact CD1-CE1 3.45Å; Y252-Y341 VanDerWaalsContact CD1-CE1 3.45Å; Y252-Y341 HydrophobicContact CE1-CD1 4.16Å; Y252-Y341 AromaticContact CE1-CE1 3.58Å; Y252-Y341 HydrophobicContact CE1-CE1 3.58Å
253	R	81.4	Confident	77.7	Confident	107 Å²	107	81.3 Å²	81.3	40%	0.404	44%	0.435	S	S	.	.			trans	-135.8	146.4	175.2	-57.5	-66.9	177.1	-84.6	-4.3	108.5	E250 S251 F257	E250-R253 PolarHBondContact O-NH1 3.48Å; E250-R253 PolarHBondContact O-NH2 3.36Å; E250-R253 VanDerWaalsContact O-NH2 3.13Å; E250-R253 IonicContact OE1-NH2 3.39Å; E250-R253 PolarHBondContact OE1-NH2 2.84Å; S251-R253 PolarHBondContact O-N 3.46Å; R253-F257 VanDerWaalsContact CB-O 3.26Å; R253-F257 WeakPolarHBondContact CB-O 3.28Å; R253-F257 WeakPolarHBondContact CG-O 3.49Å
254	H	79	Confident	75.5	Confident	83 Å²	83	91.1 Å²	91.1	38%	0.384	48%	0.477	S	S	.	.			trans	-68.5	157.7	175.3	58.3	-78.6	0	0	0	110.4	G256 F257 Y341	H254-G256 PolarHBondContact O-N 3.28Å; H254-F257 AromaticContact CD2-CD2 3.33Å; H254-F257 WeakPolarHBondContact CD2-CD2 3.34Å; H254-F257 AromaticContact CD2-CE2 3.66Å; H254-F257 AromaticContact CE1-CD1 3.89Å; H254-F257 AromaticContact CE1-CD2 3.26Å; H254-F257 WeakPolarHBondContact CE1-CD2 3.29Å; H254-F257 AromaticContact CE1-CE2 3.56Å; H254-F257 AromaticContact CE1-CG 3.43Å; H254-F257 VanDerWaalsContact CE1-CG 3.43Å; H254-F257 WeakPolarHBondContact CE1-CG 3.42Å; H254-F257 AromaticContact CE1-CZ 3.96Å; H254-F257 AromaticContact NE2-CD2 2.78Å; H254-F257 WeakPolarHBondContact NE2-CD2 3.4Å; H254-F257 AromaticContact NE2-CE2 2.82Å; H254-F257 WeakPolarHBondContact NE2-CE2 3.42Å; H254-F257 AromaticContact NE2-CG 3.49Å; H254-F257 WeakPolarHBondContact NE2-CG 3.39Å; H254-F257 AromaticContact NE2-CZ 3.52Å; H254-F257 WeakPolarHBondContact O-CA 3.34Å; H254-F257 PolarHBondContact O-N 3.07Å; H254-Y341 VanDerWaalsContact CB-OH 3.28Å; H254-Y341 WeakPolarHBondContact CB-OH 3.38Å; H254-Y341 PolarHBondContact N-OH 3.33Å; H254-Y341 PolarHBondContact ND1-OH 3.45Å
255	L	71.8	Confident	73.5	Confident	181 Å²	181	96.7 Å²	96.7	95%	0.948	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	127.8	178.4	-65.2	170.1	0	0	0	110.3
256	G	70.7	Confident	71	Confident	69 Å²	69	101.5 Å²	101.5	71%	0.711	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.3	-19.8	-170.4	0	0	0	0	0	114.2	H254 N258	H254-G256 PolarHBondContact O-N 3.28Å; G256-N258 PolarHBondContact O-N 3.46Å
257	F	69.3	Low	69	Low	128 Å²	128	108.6 Å²	108.6	56%	0.561	57%	0.568	S	S	*	*			trans	-64.4	36.6	173.7	-27.1	-141.9	0	0	0	121.4	R253 H254 K259	R253-F257 VanDerWaalsContact CB-O 3.26Å; R253-F257 WeakPolarHBondContact CB-O 3.28Å; R253-F257 WeakPolarHBondContact CG-O 3.49Å; H254-F257 AromaticContact CD2-CD2 3.33Å; H254-F257 WeakPolarHBondContact CD2-CD2 3.34Å; H254-F257 AromaticContact CD2-CE2 3.66Å; H254-F257 AromaticContact CE1-CD1 3.89Å; H254-F257 AromaticContact CE1-CD2 3.26Å; H254-F257 WeakPolarHBondContact CE1-CD2 3.29Å; H254-F257 AromaticContact CE1-CE2 3.56Å; H254-F257 AromaticContact CE1-CG 3.43Å; H254-F257 VanDerWaalsContact CE1-CG 3.43Å; H254-F257 WeakPolarHBondContact CE1-CG 3.42Å; H254-F257 AromaticContact CE1-CZ 3.96Å; H254-F257 AromaticContact NE2-CD2 2.78Å; H254-F257 WeakPolarHBondContact NE2-CD2 3.4Å; H254-F257 AromaticContact NE2-CE2 2.82Å; H254-F257 WeakPolarHBondContact NE2-CE2 3.42Å; H254-F257 AromaticContact NE2-CG 3.49Å; H254-F257 WeakPolarHBondContact NE2-CG 3.39Å; H254-F257 AromaticContact NE2-CZ 3.52Å; H254-F257 WeakPolarHBondContact O-CA 3.34Å; H254-F257 PolarHBondContact O-N 3.07Å; F257-K259 PolarHBondContact O-N 3.36Å
258	N	66	Low	66.9	Low	151 Å²	151	114.3 Å²	114.3	81%	0.807	60%	0.598	S	S	*	*			trans	-73.3	133.7	-168.9	-75.1	-11.3	0	0	0	113.6	G256 S260	G256-N258 PolarHBondContact O-N 3.46Å; N258-S260 PolarHBondContact O-N 2.96Å; N258-S260 VanDerWaalsContact O-N 3.17Å
259	K	62.3	Low	64.5	Low	136 Å²	136	118.2 Å²	118.2	59%	0.591	63%	0.626	S	S	*	*			trans	-59.1	120.2	169.6	-146.2	169.1	-169.7	165.5	0	107	E250 F257 V261	E250-K259 IonicContact OE1-NZ 3.81Å; E250-K259 IonicContact OE2-NZ 3.05Å; F257-K259 PolarHBondContact O-N 3.36Å; K259-V261 WeakPolarHBondContact O-CG2 3.41Å; K259-V261 PolarHBondContact O-N 2.9Å
260	S	58.7	Low	62.4	Low	71 Å²	71	120.1 Å²	120.1	50%	0.497	65%	0.65	S	S	.	*			trans	-65.2	99.6	173.2	52.8	0	0	0	0	108.3	N258 N262 I263	N258-S260 PolarHBondContact O-N 2.96Å; N258-S260 VanDerWaalsContact O-N 3.17Å; S260-N262 PolarHBondContact O-N 2.88Å; S260-I263 PolarHBondContact O-N 3.34Å; S260-I263 WeakPolarHBondContact OG-CD1 3.46Å; S260-I263 WeakPolarHBondContact OG-CG1 3.48Å
261	V	56.8	Low	60.5	Low	135 Å²	135	127.6 Å²	127.6	82%	0.818	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58	-13.4	-174.4	-175.3	0	0	0	0	112.9	K259	K259-V261 WeakPolarHBondContact O-CG2 3.41Å; K259-V261 PolarHBondContact O-N 2.9Å
262	N	55.3	Low	58.8	Low	155 Å²	155	130.9 Å²	130.9	83%	0.829	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.3	17.2	-170.4	-67.6	-35.9	0	0	0	116.1	S260	S260-N262 PolarHBondContact O-N 2.88Å
263	I	59.1	Low	57	Low	120 Å²	120	133 Å²	133	62%	0.615	72%	0.718	S	S	*	*			trans	-96.9	98.7	174.1	-57.6	-176.1	0	0	0	109.3	S260 T265	S260-I263 PolarHBondContact O-N 3.34Å; S260-I263 WeakPolarHBondContact OG-CD1 3.46Å; S260-I263 WeakPolarHBondContact OG-CG1 3.48Å; I263-T265 PolarHBondContact O-N 2.88Å
264	K	50.3	Low	55.7	Low	206 Å²	206	137.4 Å²	137.4	90%	0.896	74%	0.743	S	S	*	*			trans	-85.9	96.6	165.5	-80.3	-177.9	177.7	179.5	0	108.8	K266	K264-K266 PolarHBondContact O-N 3.3Å; K264-K266 VanDerWaalsContact O-N 3.17Å
265	T	52.6	Low	54.8	Low	118 Å²	118	137 Å²	137	72%	0.724	74%	0.744	S	S	*	*			trans	-71.7	102.2	164.8	9.1	0	0	0	0	108.2	I263 L267	I263-T265 PolarHBondContact O-N 2.88Å; T265-L267 PolarHBondContact O-N 3.18Å
266	K	40.6	Very low	55.2	Low	206 Å²	206	131.6 Å²	131.6	90%	0.896	72%	0.721	S	S	*	*			trans	-72.2	101.3	162.9	-93.8	-172.2	170.6	-171	0	107.3	K264	K264-K266 PolarHBondContact O-N 3.3Å; K264-K266 VanDerWaalsContact O-N 3.17Å
267	L	48.4	Very low	55.7	Low	151 Å²	151	131.6 Å²	131.6	79%	0.791	72%	0.715	S	S	*	*			trans	-83.4	118.8	164.3	-91.4	149	0	0	0	107.9	T265 S269	T265-L267 PolarHBondContact O-N 3.18Å; L267-S269 PolarHBondContact O-N 2.99Å
268	D	47.3	Very low	56.4	Low	173 Å²	173	129.4 Å²	129.4	93%	0.925	71%	0.706	S	S	*	*			trans	-93.1	80	175.7	-149.2	17.9	0	0	0	107.1
269	S	41.6	Very low	57.5	Low	87 Å²	87	124.3 Å²	124.3	61%	0.608	68%	0.677	S	S	*	*			trans	-157.8	127.3	171.2	61.2	0	0	0	0	111.2	L267	L267-S269 PolarHBondContact O-N 2.99Å
270	G	45.8	Very low	58.7	Low	62 Å²	62	122.7 Å²	122.7	64%	0.639	68%	0.675	S	S	*	*			trans	-64.7	161.7	-174.3	0	0	0	0	0	115.8	L272	G270-L272 PolarHBondContact O-N 3.15Å; G270-L272 VanDerWaalsContact O-N 3.09Å
271	E	46.8	Very low	60.3	Low	204 Å²	204	121.9 Å²	121.9	95%	0.953	66%	0.661	S	S	*	*			trans	12.2	78.7	161.9	-61.6	-178.8	176.7	0	0	115.8
272	L	47.2	Very low	61.9	Low	150 Å²	150	115.4 Å²	115.4	79%	0.785	62%	0.622	S	S	*	*			trans	-122.7	139.5	159	-76.2	165.6	0	0	0	106.8	G270 E274	G270-L272 PolarHBondContact O-N 3.15Å; G270-L272 VanDerWaalsContact O-N 3.09Å; L272-E274 PolarHBondContact O-N 3.29Å
273	S	46.3	Very low	63.6	Low	100 Å²	100	110.6 Å²	110.6	70%	0.699	60%	0.596	S	S	*	*			trans	-42.1	127.8	-168.5	54.8	0	0	0	0	113	D275	S273-D275 PolarHBondContact O-N 3.43Å
274	E	54	Low	65.2	Low	200 Å²	200	109.1 Å²	109.1	94%	0.935	59%	0.586	S	S	*	*			trans	-71	57.2	178.3	-69.5	-175.2	151.3	0	0	111.8	L272 S276	L272-E274 PolarHBondContact O-N 3.29Å; E274-S276 PolarHBondContact O-N 2.94Å
275	D	59.6	Low	67.2	Low	75 Å²	75	99.4 Å²	99.4	40%	0.401	54%	0.544	S	S	.	.			trans	-69.9	126.7	165.1	-71	-19.5	0	0	0	107.5	S273 E279 L280	S273-D275 PolarHBondContact O-N 3.43Å; D275-E279 HydrophobicContact CB-CB 4.18Å; D275-E279 HydrophobicContact CB-CG 3.87Å; D275-L280 HydrophobicContact CB-CD2 4.02Å; D275-L280 HydrophobicContact CB-CG 3.99Å
276	S	79.8	Confident	69.2	Low	66 Å²	66	95 Å²	95	46%	0.462	52%	0.516	S	S	.	.			trans	-58.8	153.4	177	75.3	0	0	0	0	110.2	E274 E278 E279 L280	E274-S276 PolarHBondContact O-N 2.94Å; S276-E278 PolarHBondContact O-N 3.42Å; S276-E278 VanDerWaalsContact O-N 3.1Å; S276-E279 WeakPolarHBondContact O-CA 3.34Å; S276-E279 WeakPolarHBondContact O-CB 3.3Å; S276-E279 PolarHBondContact O-N 3.08Å; S276-E279 WeakPolarHBondContact OG-CB 3.18Å; S276-E279 PolarHBondContact OG-N 3.34Å; S276-E279 VanDerWaalsContact OG-N 3.11Å; S276-L280 PolarHBondContact O-N 3.19Å; S276-L280 VanDerWaalsContact O-N 3.08Å
277	A	81.4	Confident	71.7	Confident	70 Å²	70	91.1 Å²	91.1	58%	0.579	50%	0.501	S	S	*	.	H	α-helix	trans	-55.9	-31.2	176.7	0	0	0	0	0	112.4	W281	A277-W281 VanDerWaalsContact O-CB 3.3Å; A277-W281 WeakPolarHBondContact O-CB 3.4Å; A277-W281 PolarHBondContact O-N 3.44Å
278	E	84.5	Confident	73.8	Confident	82 Å²	82	84.5 Å²	84.5	38%	0.383	47%	0.467	S	S	.	.	H	α-helix	trans	-69.3	-38.5	173.6	-176.1	171.8	-161.9	0	0	112.3	S276 W281 T282 S304	S276-E278 PolarHBondContact O-N 3.42Å; S276-E278 VanDerWaalsContact O-N 3.1Å; E278-W281 PolarHBondContact O-N 3.31Å; E278-T282 VanDerWaalsContact O-CB 3.29Å; E278-T282 WeakPolarHBondContact O-CB 3.26Å; E278-T282 PolarHBondContact O-N 2.98Å; E278-T282 PolarHBondContact O-OG1 3.09Å; E278-S304 PolarHBondContact OE1-OG 3.49Å
279	E	88.1	Confident	76.1	Confident	43 Å²	43	76.3 Å²	76.3	20%	0.201	42%	0.423	C	S	.	.	H	α-helix	trans	-63.2	-48.3	176.8	178.7	60.9	-157.2	0	0	111.5	D275 S276 T282 N283 H306 K310	D275-E279 HydrophobicContact CB-CB 4.18Å; D275-E279 HydrophobicContact CB-CG 3.87Å; S276-E279 WeakPolarHBondContact O-CA 3.34Å; S276-E279 WeakPolarHBondContact O-CB 3.3Å; S276-E279 PolarHBondContact O-N 3.08Å; S276-E279 WeakPolarHBondContact OG-CB 3.18Å; S276-E279 PolarHBondContact OG-N 3.34Å; S276-E279 VanDerWaalsContact OG-N 3.11Å; E279-T282 PolarHBondContact O-N 3.27Å; E279-N283 WeakPolarHBondContact O-CB 3.46Å; E279-N283 VanDerWaalsContact O-CG 3.24Å; E279-N283 PolarHBondContact O-N 3.33Å; E279-N283 PolarHBondContact O-ND2 3.36Å; E279-N283 PolarHBondContact OE1-ND2 3.11Å; E279-H306 IonicContact OE2-CD2 3.55Å; E279-H306 IonicContact OE2-CE1 3.96Å; E279-H306 PolarHBondContact OE2-CE1 2.95Å; E279-H306 IonicContact OE2-NE2 2.61Å; E279-H306 PolarHBondContact OE2-NE2 3.49Å; E279-K310 IonicContact OE1-NZ 3.47Å; E279-K310 PolarHBondContact OE1-NZ 3.05Å; E279-K310 WeakPolarHBondContact OE2-CE 3.33Å; E279-K310 IonicContact OE2-NZ 3.5Å; E279-K310 PolarHBondContact OE2-NZ 3.27Å
280	L	88.6	Confident	78.5	Confident	102 Å²	102	76.6 Å²	76.6	53%	0.534	42%	0.417	S	S	.	.	H	α-helix	trans	-61.8	-44.5	175.9	-69.2	175.1	0	0	0	111.8	D275 S276 N283 H284	D275-L280 HydrophobicContact CB-CD2 4.02Å; D275-L280 HydrophobicContact CB-CG 3.99Å; S276-L280 PolarHBondContact O-N 3.19Å; S276-L280 VanDerWaalsContact O-N 3.08Å; L280-N283 PolarHBondContact O-N 3.05Å; L280-H284 WeakPolarHBondContact O-CB 3.47Å; L280-H284 PolarHBondContact O-N 3.44Å
281	W	91.3	Very high	80.8	Confident	54 Å²	54	80.4 Å²	80.4	21%	0.205	42%	0.418	C	S	.	.	H	α-helix	trans	-60.4	-48.5	175.8	174.6	82.8	0	0	0	111	L248 T249 E250 A277 E278 N283 H284 V285 L307	L248-W281 HydrophobicContact CD1-CH2 4.45Å; L248-W281 HydrophobicContact CD1-CZ2 4.37Å; L248-W281 HydrophobicContact CG-CH2 4.35Å; T249-W281 VanDerWaalsContact C-CH2 3.46Å; T249-W281 VanDerWaalsContact CA-CH2 3.49Å; T249-W281 WeakPolarHBondContact O-CZ2 3.41Å; E250-W281 HydrophobicContact CB-CB 4.49Å; E250-W281 HydrophobicContact CB-CD2 3.99Å; E250-W281 HydrophobicContact CB-CE3 4.08Å; E250-W281 HydrophobicContact CB-CG 4.16Å; E250-W281 HydrophobicContact CG-CB 4.23Å; E250-W281 HydrophobicContact CG-CG 4.23Å; A277-W281 VanDerWaalsContact O-CB 3.3Å; A277-W281 WeakPolarHBondContact O-CB 3.4Å; A277-W281 PolarHBondContact O-N 3.44Å; E278-W281 PolarHBondContact O-N 3.31Å; W281-N283 VanDerWaalsContact C-N 3.34Å; W281-N283 PolarHBondContact O-N 3.09Å; W281-H284 WeakPolarHBondContact O-CB 3.32Å; W281-H284 PolarHBondContact O-N 3.08Å; W281-H284 VanDerWaalsContact O-N 3.14Å; W281-V285 HydrophobicContact CD2-CG2 4.05Å; W281-V285 HydrophobicContact CH2-CG2 4.25Å; W281-V285 HydrophobicContact CZ2-CG2 3.78Å; W281-V285 WeakPolarHBondContact O-CG2 3.23Å; W281-V285 PolarHBondContact O-N 2.92Å; W281-L307 HydrophobicContact CH2-CD2 3.91Å; W281-L307 HydrophobicContact CZ3-CB 4.41Å; W281-L307 HydrophobicContact CZ3-CD2 4.15Å
282	T	91.5	Very high	83	Confident	0 Å²	0	72 Å²	72	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-62	-42.1	-179.1	-54.4	0	0	0	0	111.5	E278 E279 H284 V285 L286 L307 K310	E278-T282 VanDerWaalsContact O-CB 3.29Å; E278-T282 WeakPolarHBondContact O-CB 3.26Å; E278-T282 PolarHBondContact O-N 2.98Å; E278-T282 PolarHBondContact O-OG1 3.09Å; E279-T282 PolarHBondContact O-N 3.27Å; T282-H284 VanDerWaalsContact C-N 3.34Å; T282-V285 PolarHBondContact O-N 2.96Å; T282-L286 WeakPolarHBondContact O-CB 3.44Å; T282-L286 PolarHBondContact O-N 3.28Å; T282-L307 HydrophobicContact CG2-CB 3.95Å; T282-L307 HydrophobicContact CG2-CD1 3.55Å; T282-L307 HydrophobicContact CG2-CG 4.34Å; T282-K310 HydrophobicContact CG2-CB 4.39Å; T282-K310 HydrophobicContact CG2-CD 3.7Å; T282-K310 HydrophobicContact CG2-CG 4.42Å
283	N	91.6	Very high	85.2	Confident	53 Å²	53	69.7 Å²	69.7	28%	0.283	37%	0.367	S	S	.	.	H	α-helix	trans	-64.3	-39.6	176.3	-71.7	-24.3	0	0	0	111.6	E279 L280 W281 L286 Q287 K310	E279-N283 WeakPolarHBondContact O-CB 3.46Å; E279-N283 VanDerWaalsContact O-CG 3.24Å; E279-N283 PolarHBondContact O-N 3.33Å; E279-N283 PolarHBondContact O-ND2 3.36Å; E279-N283 PolarHBondContact OE1-ND2 3.11Å; L280-N283 PolarHBondContact O-N 3.05Å; W281-N283 VanDerWaalsContact C-N 3.34Å; W281-N283 PolarHBondContact O-N 3.09Å; N283-L286 PolarHBondContact O-N 3.41Å; N283-Q287 VanDerWaalsContact O-CG 3.3Å; N283-Q287 WeakPolarHBondContact O-CG 3.4Å; N283-Q287 PolarHBondContact O-N 2.72Å; N283-K310 PolarHBondContact OD1-NZ 3.38Å
284	H	91.9	Very high	87.5	Confident	90 Å²	90	64.9 Å²	64.9	42%	0.417	33%	0.333	S	S	.	.	H	α-helix	trans	-64.9	-45.3	174.9	-176.3	61.6	0	0	0	112.3	L280 W281 T282 L286 Q287 V288	L280-H284 WeakPolarHBondContact O-CB 3.47Å; L280-H284 PolarHBondContact O-N 3.44Å; W281-H284 WeakPolarHBondContact O-CB 3.32Å; W281-H284 PolarHBondContact O-N 3.08Å; W281-H284 VanDerWaalsContact O-N 3.14Å; T282-H284 VanDerWaalsContact C-N 3.34Å; H284-L286 VanDerWaalsContact C-N 3.31Å; H284-L286 PolarHBondContact O-N 3.06Å; H284-Q287 WeakPolarHBondContact O-CB 3.22Å; H284-Q287 PolarHBondContact O-N 2.84Å; H284-V288 WeakPolarHBondContact O-CG2 3.33Å; H284-V288 PolarHBondContact O-N 2.84Å; H284-V288 VanDerWaalsContact O-N 3.09Å
285	V	92.8	Very high	89.4	Confident	1 Å²	1	56.2 Å²	56.2	1%	0.006	29%	0.294	C	S	.	.	H	α-helix	trans	-57.7	-46.6	174.8	172.9	0	0	0	0	110.7	L248 W281 T282 Q287 V288 L289 L307 V342	L248-V285 HydrophobicContact CD1-CG1 4.45Å; W281-V285 HydrophobicContact CD2-CG2 4.05Å; W281-V285 HydrophobicContact CH2-CG2 4.25Å; W281-V285 HydrophobicContact CZ2-CG2 3.78Å; W281-V285 WeakPolarHBondContact O-CG2 3.23Å; W281-V285 PolarHBondContact O-N 2.92Å; T282-V285 PolarHBondContact O-N 2.96Å; V285-Q287 VanDerWaalsContact C-N 3.32Å; V285-Q287 PolarHBondContact O-N 2.91Å; V285-V288 WeakPolarHBondContact O-CB 3.25Å; V285-V288 PolarHBondContact O-N 3.45Å; V285-L289 HydrophobicContact CG1-CD1 3.95Å; V285-L289 HydrophobicContact CG1-CG 4.42Å; V285-L289 VanDerWaalsContact O-CG 3.31Å; V285-L289 WeakPolarHBondContact O-CG 3.43Å; V285-L289 PolarHBondContact O-N 2.56Å; V285-L307 HydrophobicContact CB-CD1 4.25Å; V285-L307 HydrophobicContact CG1-CD1 3.87Å; V285-L307 HydrophobicContact CG1-CD2 4.04Å; V285-V342 HydrophobicContact CB-CG1 4.41Å; V285-V342 HydrophobicContact CG1-CG1 4.21Å; V285-V342 HydrophobicContact CG1-CG2 3.99Å; V285-V342 HydrophobicContact CG2-CG1 3.57Å
286	L	93.3	Very high	91.1	Very high	27 Å²	27	52.6 Å²	52.6	14%	0.141	28%	0.275	C	S	.	.	H	α-helix	trans	-62.1	-39.6	178.9	-174.8	61.9	0	0	0	112.1	T282 N283 H284 V288 L289 I290 S314	T282-L286 WeakPolarHBondContact O-CB 3.44Å; T282-L286 PolarHBondContact O-N 3.28Å; N283-L286 PolarHBondContact O-N 3.41Å; H284-L286 VanDerWaalsContact C-N 3.31Å; H284-L286 PolarHBondContact O-N 3.06Å; L286-V288 PolarHBondContact O-N 2.87Å; L286-L289 PolarHBondContact O-N 2.91Å; L286-I290 HydrophobicContact CD1-CD1 4.24Å; L286-I290 HydrophobicContact CD1-CG1 4.43Å; L286-I290 HydrophobicContact CD2-CD1 4.47Å; L286-I290 HydrophobicContact CG-CD1 3.86Å; L286-I290 HydrophobicContact CG-CG1 4.46Å; L286-I290 WeakPolarHBondContact O-CB 3.36Å; L286-I290 VanDerWaalsContact O-CG1 3.26Å; L286-I290 WeakPolarHBondContact O-CG1 3.33Å; L286-I290 PolarHBondContact O-N 3.08Å; L286-S314 WeakPolarHBondContact CD1-OG 3.23Å
287	Q	93.9	Very high	91.8	Very high	123 Å²	123	49.5 Å²	49.5	58%	0.575	25%	0.253	S	S	*	.	H	α-helix	trans	-59.1	-45	174.5	-77.1	173.7	-7.3	0	0	112	N283 H284 V285 L289 I290 Q291	N283-Q287 VanDerWaalsContact O-CG 3.3Å; N283-Q287 WeakPolarHBondContact O-CG 3.4Å; N283-Q287 PolarHBondContact O-N 2.72Å; H284-Q287 WeakPolarHBondContact O-CB 3.22Å; H284-Q287 PolarHBondContact O-N 2.84Å; V285-Q287 VanDerWaalsContact C-N 3.32Å; V285-Q287 PolarHBondContact O-N 2.91Å; Q287-L289 PolarHBondContact O-N 2.77Å; Q287-I290 PolarHBondContact O-N 3.47Å; Q287-Q291 VanDerWaalsContact O-CB 3.31Å; Q287-Q291 WeakPolarHBondContact O-CB 3.2Å; Q287-Q291 PolarHBondContact O-N 2.88Å
288	V	93.4	Very high	92.6	Very high	13 Å²	13	46.1 Å²	46.1	8%	0.079	23%	0.225	C	C	.	.	H	α-helix	trans	-60	-46.4	176.1	173.2	0	0	0	0	110.7	H284 V285 L286 I290 Q291 F292 V342 V345	H284-V288 WeakPolarHBondContact O-CG2 3.33Å; H284-V288 PolarHBondContact O-N 2.84Å; H284-V288 VanDerWaalsContact O-N 3.09Å; V285-V288 WeakPolarHBondContact O-CB 3.25Å; V285-V288 PolarHBondContact O-N 3.45Å; L286-V288 PolarHBondContact O-N 2.87Å; V288-I290 VanDerWaalsContact C-N 3.29Å; V288-I290 PolarHBondContact O-N 2.95Å; V288-Q291 PolarHBondContact O-N 3.39Å; V288-F292 HydrophobicContact CG1-CD2 3.87Å; V288-F292 HydrophobicContact CG1-CE2 3.94Å; V288-F292 VanDerWaalsContact O-CD2 3.24Å; V288-F292 WeakPolarHBondContact O-CD2 3.48Å; V288-F292 PolarHBondContact O-N 2.93Å; V288-F292 VanDerWaalsContact O-N 3.12Å; V288-V342 HydrophobicContact CG1-CG2 4.4Å; V288-V345 HydrophobicContact CG1-CB 4Å; V288-V345 HydrophobicContact CG1-CG1 4.15Å
289	L	93.9	Very high	93.1	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-65.5	-30.5	179	-63.7	170.2	0	0	0	113.2	I242 V285 L286 Q287 N293 V294 I297 R316	I242-L289 HydrophobicContact CD1-CD2 3.92Å; V285-L289 HydrophobicContact CG1-CD1 3.95Å; V285-L289 HydrophobicContact CG1-CG 4.42Å; V285-L289 VanDerWaalsContact O-CG 3.31Å; V285-L289 WeakPolarHBondContact O-CG 3.43Å; V285-L289 PolarHBondContact O-N 2.56Å; L286-L289 PolarHBondContact O-N 2.91Å; Q287-L289 PolarHBondContact O-N 2.77Å; L289-N293 PolarHBondContact O-N 3.24Å; L289-V294 HydrophobicContact CD2-CB 4.29Å; L289-V294 HydrophobicContact CD2-CG1 4.3Å; L289-V294 PolarHBondContact O-N 3.32Å; L289-I297 HydrophobicContact CD1-CD1 3.52Å; L289-I297 HydrophobicContact CD1-CG1 4.38Å; L289-I297 HydrophobicContact CD2-CD1 3.81Å; L289-I297 HydrophobicContact CD2-CG1 3.77Å; L289-I297 HydrophobicContact CG-CD1 4.25Å; L289-R316 PolarHBondContact O-NE 3.07Å; L289-R316 PolarHBondContact O-NH2 2.83Å; L289-R316 VanDerWaalsContact O-NH2 3.14Å
290	I	93.3	Very high	93.4	Very high	92 Å²	92	44.3 Å²	44.3	47%	0.472	22%	0.217	S	C	.	.	H	α-helix	trans	-74.9	-46	174	-69.3	167.6	0	0	0	110.4	L286 Q287 V288 F292 N293	L286-I290 HydrophobicContact CD1-CD1 4.24Å; L286-I290 HydrophobicContact CD1-CG1 4.43Å; L286-I290 HydrophobicContact CD2-CD1 4.47Å; L286-I290 HydrophobicContact CG-CD1 3.86Å; L286-I290 HydrophobicContact CG-CG1 4.46Å; L286-I290 WeakPolarHBondContact O-CB 3.36Å; L286-I290 VanDerWaalsContact O-CG1 3.26Å; L286-I290 WeakPolarHBondContact O-CG1 3.33Å; L286-I290 PolarHBondContact O-N 3.08Å; Q287-I290 PolarHBondContact O-N 3.47Å; V288-I290 VanDerWaalsContact C-N 3.29Å; V288-I290 PolarHBondContact O-N 2.95Å; I290-F292 VanDerWaalsContact C-N 3.26Å; I290-F292 PolarHBondContact O-N 3.36Å; I290-N293 PolarHBondContact O-N 3.25Å
291	Q	94.3	Very high	93.5	Very high	143 Å²	143	40.1 Å²	40.1	67%	0.668	20%	0.198	S	C	*	.	H	α-helix	trans	-54.5	-43.6	-180	178.2	178.1	-6.7	0	0	111.8	Q287 V288 N293	Q287-Q291 VanDerWaalsContact O-CB 3.31Å; Q287-Q291 WeakPolarHBondContact O-CB 3.2Å; Q287-Q291 PolarHBondContact O-N 2.88Å; V288-Q291 PolarHBondContact O-N 3.39Å; Q291-N293 VanDerWaalsContact C-N 3.35Å
292	F	93	Very high	93.5	Very high	28 Å²	28	40.4 Å²	40.4	12%	0.123	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	10.8	179.3	-61.3	-65.7	0	0	0	113.9	R240 V288 I290 V294 V345 E347 V350	R240-F292 PolarHBondContact NE-O 2.91Å; R240-F292 PolarHBondContact NH1-O 3.39Å; V288-F292 HydrophobicContact CG1-CD2 3.87Å; V288-F292 HydrophobicContact CG1-CE2 3.94Å; V288-F292 VanDerWaalsContact O-CD2 3.24Å; V288-F292 WeakPolarHBondContact O-CD2 3.48Å; V288-F292 PolarHBondContact O-N 2.93Å; V288-F292 VanDerWaalsContact O-N 3.12Å; I290-F292 VanDerWaalsContact C-N 3.26Å; I290-F292 PolarHBondContact O-N 3.36Å; F292-V294 VanDerWaalsContact C-N 3.28Å; F292-V294 HydrophobicContact CB-CG2 3.99Å; F292-V294 WeakPolarHBondContact O-CG2 3.49Å; F292-V294 PolarHBondContact O-N 3.09Å; F292-V345 HydrophobicContact CD2-CG1 3.61Å; F292-V345 HydrophobicContact CE2-CG1 3.96Å; F292-V345 VanDerWaalsContact CE2-O 3.31Å; F292-V345 WeakPolarHBondContact CE2-O 3.41Å; F292-V345 HydrophobicContact CG-CG1 4.29Å; F292-E347 WeakPolarHBondContact CD1-OE2 3.23Å; F292-E347 HydrophobicContact CE1-CB 4.39Å; F292-V350 HydrophobicContact CB-CG2 4.06Å
293	N	92.4	Very high	93.5	Very high	100 Å²	100	41.9 Å²	41.9	54%	0.535	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.4	44.2	179.5	-167.9	35.1	0	0	0	114	R240 L289 I290 Q291	R240-N293 WeakPolarHBondContact CB-O 3.33Å; R240-N293 WeakPolarHBondContact CD-O 3.47Å; L289-N293 PolarHBondContact O-N 3.24Å; I290-N293 PolarHBondContact O-N 3.25Å; Q291-N293 VanDerWaalsContact C-N 3.35Å
294	V	94.4	Very high	93.6	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.209	C	C	.	.			trans	-89.7	132.3	-177.2	177.2	0	0	0	0	110.7	I242 L289 F292 L296 I297 R316 V350	I242-V294 HydrophobicContact CB-CG1 4.2Å; I242-V294 HydrophobicContact CD1-CB 3.99Å; I242-V294 HydrophobicContact CD1-CG1 3.86Å; I242-V294 HydrophobicContact CD1-CG2 3.52Å; I242-V294 HydrophobicContact CG1-CB 4.34Å; I242-V294 HydrophobicContact CG1-CG1 3.82Å; I242-V294 HydrophobicContact CG1-CG2 3.78Å; L289-V294 HydrophobicContact CD2-CB 4.29Å; L289-V294 HydrophobicContact CD2-CG1 4.3Å; L289-V294 PolarHBondContact O-N 3.32Å; F292-V294 VanDerWaalsContact C-N 3.28Å; F292-V294 HydrophobicContact CB-CG2 3.99Å; F292-V294 WeakPolarHBondContact O-CG2 3.49Å; F292-V294 PolarHBondContact O-N 3.09Å; V294-L296 VanDerWaalsContact CG1-O 3.3Å; V294-L296 WeakPolarHBondContact CG1-O 3.36Å; V294-I297 HydrophobicContact CG1-CG1 4.2Å; V294-R316 WeakPolarHBondContact O-CD 3.47Å; V294-R316 WeakPolarHBondContact O-CG 3.37Å; V294-R316 PolarHBondContact O-NE 2.87Å; V294-R316 PolarHBondContact O-NH2 3.48Å; V294-V350 HydrophobicContact CG2-CG1 3.68Å; V294-V350 HydrophobicContact CG2-CG2 3.97Å
295	T	94.3	Very high	93.5	Very high	17 Å²	17	43.4 Å²	43.4	10%	0.104	22%	0.224	C	C	.	.			trans	-109.9	-33	-175.1	-48.8	0	0	0	0	112.1	L234 F239 R240 R316 L317	L234-T295 HydrophobicContact CD1-CG2 3.71Å; L234-T295 HydrophobicContact CD2-CG2 3.39Å; L234-T295 HydrophobicContact CG-CG2 4.19Å; F239-T295 HydrophobicContact CB-CG2 4.08Å; F239-T295 HydrophobicContact CD2-CG2 4.43Å; F239-T295 HydrophobicContact CG-CG2 4.14Å; R240-T295 PolarHBondContact O-N 2.75Å; T295-R316 CarbonylContact O-C 3.59Å; T295-R316 WeakPolarHBondContact O-CA 3.48Å; T295-L317 PolarHBondContact O-N 2.86Å
296	L	95.1	Very high	93.4	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	133.9	177.4	176	67.9	0	0	0	110.9	F239 R240 V241 I242 V294 L298 L317 I319 V354 L375	F239-L296 HydrophobicContact CD2-CB 3.8Å; F239-L296 HydrophobicContact CE2-CB 3.47Å; F239-L296 VanDerWaalsContact CE2-CB 3.47Å; F239-L296 HydrophobicContact CE2-CD2 3.79Å; F239-L296 HydrophobicContact CE2-CG 4.19Å; R240-L296 PolarHBondContact O-N 3.4Å; R240-L296 VanDerWaalsContact O-N 3.08Å; V241-L296 VanDerWaalsContact CA-O 3.28Å; V241-L296 WeakPolarHBondContact CA-O 3.46Å; V241-L296 HydrophobicContact CB-CB 4.31Å; V241-L296 HydrophobicContact CB-CD2 4.36Å; V241-L296 HydrophobicContact CG2-CB 4.13Å; V241-L296 HydrophobicContact CG2-CD2 3.79Å; V241-L296 HydrophobicContact CG2-CG 3.9Å; I242-L296 PolarHBondContact N-O 2.84Å; V294-L296 VanDerWaalsContact CG1-O 3.3Å; V294-L296 WeakPolarHBondContact CG1-O 3.36Å; L296-L298 HydrophobicContact CD1-CD2 3.91Å; L296-L298 HydrophobicContact CD2-CD1 4.39Å; L296-L298 HydrophobicContact CD2-CD2 4.03Å; L296-L298 HydrophobicContact CD2-CG 4.09Å; L296-L298 HydrophobicContact CG-CD2 4.05Å; L296-L298 HydrophobicContact CG-CG 4.16Å; L296-L317 CarbonylContact C-O 3.59Å; L296-L317 WeakPolarHBondContact CA-O 3.39Å; L296-L317 HydrophobicContact CD1-CB 4.12Å; L296-L317 HydrophobicContact CD1-CD2 3.97Å; L296-L317 HydrophobicContact CD1-CG 3.99Å; L296-I319 HydrophobicContact CD1-CD1 3.99Å; L296-I319 HydrophobicContact CD1-CG1 4.27Å; L296-V354 HydrophobicContact CD2-CB 4.49Å; L296-V354 HydrophobicContact CD2-CG1 3.79Å; L296-L375 HydrophobicContact CD1-CD1 4.45Å; L296-L375 HydrophobicContact CD2-CD1 4.03Å; L296-L375 HydrophobicContact CD2-CD2 4.22Å
297	I	95.9	Very high	93.3	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	114.7	174	-57.9	129.7	0	0	0	108	I244 L248 L289 V294 V299 L317 V318 I319	I244-I297 HydrophobicContact CD1-CG2 3.93Å; I244-I297 HydrophobicContact CG1-CG2 4.46Å; L248-I297 HydrophobicContact CD2-CG2 4.07Å; L289-I297 HydrophobicContact CD1-CD1 3.52Å; L289-I297 HydrophobicContact CD1-CG1 4.38Å; L289-I297 HydrophobicContact CD2-CD1 3.81Å; L289-I297 HydrophobicContact CD2-CG1 3.77Å; L289-I297 HydrophobicContact CG-CD1 4.25Å; V294-I297 HydrophobicContact CG1-CG1 4.2Å; I297-V299 HydrophobicContact CG2-CG2 3.66Å; I297-L317 PolarHBondContact N-O 3.32Å; I297-V318 HydrophobicContact CB-CG1 4.29Å; I297-V318 HydrophobicContact CB-CG2 4.48Å; I297-V318 HydrophobicContact CD1-CG2 3.79Å; I297-V318 HydrophobicContact CG2-CG1 4.4Å; I297-I319 PolarHBondContact O-N 3.29Å
298	L	96.5	Very high	93.1	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	122.6	173.1	-59.5	-177.5	0	0	0	108.8	V241 I242 L243 I244 L296 I319 V322 L327 F330 L375	V241-L298 HydrophobicContact CG2-CD1 4.4Å; V241-L298 HydrophobicContact CG2-CG 4.25Å; I242-L298 PolarHBondContact O-N 3.26Å; L243-L298 HydrophobicContact CD2-CB 4.01Å; L243-L298 HydrophobicContact CD2-CD1 3.87Å; L243-L298 HydrophobicContact CD2-CG 4.29Å; I244-L298 PolarHBondContact N-O 2.93Å; L296-L298 HydrophobicContact CD1-CD2 3.91Å; L296-L298 HydrophobicContact CD2-CD1 4.39Å; L296-L298 HydrophobicContact CD2-CD2 4.03Å; L296-L298 HydrophobicContact CD2-CG 4.09Å; L296-L298 HydrophobicContact CG-CD2 4.05Å; L296-L298 HydrophobicContact CG-CG 4.16Å; L298-I319 HydrophobicContact CD2-CB 3.93Å; L298-I319 HydrophobicContact CD2-CD1 4.01Å; L298-I319 HydrophobicContact CD2-CG1 4.32Å; L298-V322 HydrophobicContact CB-CG2 4.49Å; L298-V322 HydrophobicContact CD2-CG2 4.42Å; L298-L327 HydrophobicContact CB-CD2 3.54Å; L298-F330 HydrophobicContact CD1-CB 4.42Å; L298-F330 HydrophobicContact CD1-CD2 3.68Å; L298-F330 HydrophobicContact CD1-CE2 4.05Å; L298-F330 HydrophobicContact CD1-CG 3.97Å; L298-L375 HydrophobicContact CD2-CD1 4.05Å
299	V	95.9	Very high	93	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	126.7	-175.9	-169.8	0	0	0	0	109.1	I244 G246 L248 I297 V303 V318 I319 G320 A321 V322	I244-V299 HydrophobicContact CB-CG1 4.23Å; I244-V299 HydrophobicContact CB-CG2 4.25Å; I244-V299 HydrophobicContact CD1-CG2 4.42Å; I244-V299 HydrophobicContact CG2-CG1 4.25Å; I244-V299 CarbonylContact O-C 3.56Å; I244-V299 WeakPolarHBondContact O-CA 3.37Å; G246-V299 WeakPolarHBondContact O-CG1 3.45Å; L248-V299 HydrophobicContact CB-CG1 4.08Å; L248-V299 HydrophobicContact CB-CG2 4.16Å; L248-V299 HydrophobicContact CD2-CG2 4.04Å; I297-V299 HydrophobicContact CG2-CG2 3.66Å; V299-V303 HydrophobicContact CB-CG2 3.8Å; V299-V303 HydrophobicContact CG1-CG2 4.08Å; V299-V303 HydrophobicContact CG2-CG2 3.83Å; V299-V318 HydrophobicContact CG2-CG1 4.47Å; V299-I319 PolarHBondContact N-O 2.96Å; V299-G320 CarbonylContact O-C 3.34Å; V299-G320 WeakPolarHBondContact O-CA 3.34Å; V299-A321 PolarHBondContact O-N 3.33Å; V299-A321 VanDerWaalsContact O-N 3.08Å; V299-V322 WeakPolarHBondContact O-CB 3.37Å; V299-V322 PolarHBondContact O-N 3.4Å
300	Q	94.7	Very high	92.8	Very high	86 Å²	86	47.8 Å²	47.8	40%	0.402	25%	0.246	S	C	.	.	S	Bend	trans	-71.8	-38.4	174.1	175.1	173	6.1	0	0	111.7	I244 A321 V322 L327	I244-Q300 PolarHBondContact O-N 3.1Å; Q300-A321 WeakPolarHBondContact O-CA 3.47Å; Q300-V322 VanDerWaalsContact CA-O 3.28Å; Q300-V322 WeakPolarHBondContact CA-O 3.25Å; Q300-L327 HydrophobicContact CB-CD1 3.64Å
301	G	90.5	Very high	92.8	Very high	14 Å²	14	43.4 Å²	43.4	14%	0.144	22%	0.223	C	C	.	.	S	Bend	trans	-78.3	-167.4	174.9	0	0	0	0	0	115.1	G246 D247 A321	G246-G301 WeakPolarHBondContact O-CA 3.4Å; G246-G301 PolarHBondContact O-N 2.6Å; D247-G301 WeakPolarHBondContact OD1-CA 3.3Å; G301-A321 PolarHBondContact O-N 3.01Å
302	S	90.9	Very high	92.6	Very high	61 Å²	61	38.4 Å²	38.4	43%	0.427	20%	0.2	S	C	.	.			trans	-74.9	154.9	173.2	62.6	0	0	0	0	111.9	D247 L248	D247-S302 CarbonylContact C-O 3.58Å; D247-S302 WeakPolarHBondContact CA-O 3.44Å; D247-S302 VanDerWaalsContact CG-OG 3.25Å; D247-S302 PolarHBondContact OD1-N 3.31Å; D247-S302 PolarHBondContact OD1-OG 2.83Å; L248-S302 PolarHBondContact N-O 2.85Å
303	V	92.4	Very high	92.4	Very high	31 Å²	31	44.9 Å²	44.9	19%	0.188	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-126.4	136.7	-179.4	-178.1	0	0	0	0	108.5	L248 V299 T308 V318	L248-V303 HydrophobicContact CB-CG2 4.37Å; L248-V303 HydrophobicContact CD2-CG1 4.46Å; V299-V303 HydrophobicContact CB-CG2 3.8Å; V299-V303 HydrophobicContact CG1-CG2 4.08Å; V299-V303 HydrophobicContact CG2-CG2 3.83Å; V303-T308 WeakPolarHBondContact CG1-OG1 3.42Å; V303-V318 HydrophobicContact CB-CG1 4.44Å; V303-V318 HydrophobicContact CG1-CG1 3.59Å; V303-V318 HydrophobicContact CG2-CG1 4.07Å
304	S	91.9	Very high	92.3	Very high	14 Å²	14	41.4 Å²	41.4	10%	0.098	21%	0.214	C	C	.	.			trans	-63.7	133.3	173	171.8	0	0	0	0	111.3	L248 E278 H306 L307 T308	L248-S304 PolarHBondContact O-N 3.46Å; E278-S304 PolarHBondContact OE1-OG 3.49Å; S304-H306 VanDerWaalsContact C-N 3.31Å; S304-H306 PolarHBondContact O-N 3.38Å; S304-H306 PolarHBondContact OG-N 2.97Å; S304-L307 PolarHBondContact O-N 3.04Å; S304-T308 PolarHBondContact O-N 3.44Å; S304-T308 PolarHBondContact O-OG1 2.92Å
305	E	90	Very high	92.1	Very high	160 Å²	160	46.8 Å²	46.8	75%	0.748	24%	0.237	S	C	*	.	H	α-helix	trans	-60.6	-42.4	175.1	-67.7	-175.4	168.9	0	0	110.9	L307 T308 E309	E305-L307 VanDerWaalsContact C-N 3.33Å; E305-L307 PolarHBondContact O-N 3.3Å; E305-T308 WeakPolarHBondContact O-CB 3.46Å; E305-T308 PolarHBondContact O-N 2.7Å; E305-E309 WeakPolarHBondContact O-CG 3.29Å; E305-E309 PolarHBondContact O-N 3.44Å
306	H	90.6	Very high	92.1	Very high	62 Å²	62	47.1 Å²	47.1	29%	0.287	24%	0.237	S	C	.	.	H	α-helix	trans	-59.1	-42.7	178.1	-172.5	58.6	0	0	0	112.4	E279 S304 K310	E279-H306 IonicContact OE2-CD2 3.55Å; E279-H306 IonicContact OE2-CE1 3.96Å; E279-H306 PolarHBondContact OE2-CE1 2.95Å; E279-H306 IonicContact OE2-NE2 2.61Å; E279-H306 PolarHBondContact OE2-NE2 3.49Å; S304-H306 VanDerWaalsContact C-N 3.31Å; S304-H306 PolarHBondContact O-N 3.38Å; S304-H306 PolarHBondContact OG-N 2.97Å; H306-K310 PolarHBondContact O-N 3.02Å; H306-K310 VanDerWaalsContact O-N 3.14Å
307	L	91.5	Very high	92	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-66.7	-40.5	174.9	177.5	64.7	0	0	0	111.7	L248 W281 T282 V285 S304 E305 E309 K310 C311	L248-L307 HydrophobicContact CD1-CD2 4.24Å; L248-L307 HydrophobicContact CD2-CD2 3.41Å; L248-L307 VanDerWaalsContact CD2-CD2 3.41Å; L248-L307 HydrophobicContact CG-CD2 3.42Å; L248-L307 VanDerWaalsContact CG-CD2 3.42Å; W281-L307 HydrophobicContact CH2-CD2 3.91Å; W281-L307 HydrophobicContact CZ3-CB 4.41Å; W281-L307 HydrophobicContact CZ3-CD2 4.15Å; T282-L307 HydrophobicContact CG2-CB 3.95Å; T282-L307 HydrophobicContact CG2-CD1 3.55Å; T282-L307 HydrophobicContact CG2-CG 4.34Å; V285-L307 HydrophobicContact CB-CD1 4.25Å; V285-L307 HydrophobicContact CG1-CD1 3.87Å; V285-L307 HydrophobicContact CG1-CD2 4.04Å; S304-L307 PolarHBondContact O-N 3.04Å; E305-L307 VanDerWaalsContact C-N 3.33Å; E305-L307 PolarHBondContact O-N 3.3Å; L307-E309 VanDerWaalsContact C-N 3.32Å; L307-E309 PolarHBondContact O-N 2.97Å; L307-K310 PolarHBondContact O-N 3.05Å; L307-C311 VanDerWaalsContact O-CB 3.28Å; L307-C311 WeakPolarHBondContact O-CB 3.29Å; L307-C311 PolarHBondContact O-N 3.47Å; L307-C311 PolarHBondContact O-SG 2.84Å; L307-C311 VanDerWaalsContact O-SG 3.33Å
308	T	91.3	Very high	91.9	Very high	42 Å²	42	48 Å²	48	26%	0.258	24%	0.242	S	C	.	.	H	α-helix	trans	-60.5	-43.8	178.8	-56.3	0	0	0	0	110.9	V303 S304 E305 C311 M312	V303-T308 WeakPolarHBondContact CG1-OG1 3.42Å; S304-T308 PolarHBondContact O-N 3.44Å; S304-T308 PolarHBondContact O-OG1 2.92Å; E305-T308 WeakPolarHBondContact O-CB 3.46Å; E305-T308 PolarHBondContact O-N 2.7Å; T308-C311 PolarHBondContact O-N 3.11Å; T308-M312 WeakPolarHBondContact O-CB 3.46Å; T308-M312 WeakPolarHBondContact O-CG 3.29Å; T308-M312 PolarHBondContact O-N 2.97Å
309	E	89.8	Confident	91.8	Very high	118 Å²	118	48.4 Å²	48.4	55%	0.551	24%	0.244	S	C	*	.	H	α-helix	trans	-63.2	-46.1	176.6	-70.3	-178.8	175.3	0	0	112.3	E305 L307 M312 H313	E305-E309 WeakPolarHBondContact O-CG 3.29Å; E305-E309 PolarHBondContact O-N 3.44Å; L307-E309 VanDerWaalsContact C-N 3.32Å; L307-E309 PolarHBondContact O-N 2.97Å; E309-M312 WeakPolarHBondContact O-CB 3.16Å; E309-M312 PolarHBondContact O-N 3.01Å; E309-H313 PolarHBondContact O-CD2 3.5Å; E309-H313 PolarHBondContact O-N 2.74Å; E309-H313 VanDerWaalsContact O-N 3.09Å
310	K	91.2	Very high	91.7	Very high	36 Å²	36	49.9 Å²	49.9	16%	0.157	26%	0.259	C	S	.	.	H	α-helix	trans	-64.9	-41.5	176.2	-76.4	-162.6	-175.9	171.5	0	113.4	E279 T282 N283 H306 L307 M312 H313 S314	E279-K310 IonicContact OE1-NZ 3.47Å; E279-K310 PolarHBondContact OE1-NZ 3.05Å; E279-K310 WeakPolarHBondContact OE2-CE 3.33Å; E279-K310 IonicContact OE2-NZ 3.5Å; E279-K310 PolarHBondContact OE2-NZ 3.27Å; T282-K310 HydrophobicContact CG2-CB 4.39Å; T282-K310 HydrophobicContact CG2-CD 3.7Å; T282-K310 HydrophobicContact CG2-CG 4.42Å; N283-K310 PolarHBondContact OD1-NZ 3.38Å; H306-K310 PolarHBondContact O-N 3.02Å; H306-K310 VanDerWaalsContact O-N 3.14Å; L307-K310 PolarHBondContact O-N 3.05Å; K310-M312 VanDerWaalsContact C-N 3.27Å; K310-M312 PolarHBondContact O-N 3.49Å; K310-H313 PolarHBondContact O-N 2.95Å; K310-S314 PolarHBondContact O-N 2.91Å; K310-S314 PolarHBondContact O-OG 3.24Å
311	C	92	Very high	91.6	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-58.6	-42.9	174.2	-78.9	0	0	0	0	110.6	L307 T308 H313 S314 K315 R316 V318	L307-C311 VanDerWaalsContact O-CB 3.28Å; L307-C311 WeakPolarHBondContact O-CB 3.29Å; L307-C311 PolarHBondContact O-N 3.47Å; L307-C311 PolarHBondContact O-SG 2.84Å; L307-C311 VanDerWaalsContact O-SG 3.33Å; T308-C311 PolarHBondContact O-N 3.11Å; C311-H313 PolarHBondContact O-N 3.39Å; C311-S314 WeakPolarHBondContact CA-OG 3.5Å; C311-S314 CarbonylContact O-C 3.37Å; C311-S314 WeakPolarHBondContact O-CA 3.36Å; C311-S314 PolarHBondContact O-N 3.27Å; C311-S314 VanDerWaalsContact O-N 3.07Å; C311-S314 PolarHBondContact O-OG 2.84Å; C311-K315 PolarHBondContact O-N 3.01Å; C311-K315 VanDerWaalsContact O-N 3.15Å; C311-R316 CarbonylContact C-O 3.54Å; C311-R316 HydrophobicContact CB-CB 4.05Å; C311-R316 PolarHBondContact O-N 3.16Å; C311-V318 HydrophobicContact CB-CG2 3.54Å
312	M	89.7	Confident	91.7	Very high	37 Å²	37	49.3 Å²	49.3	18%	0.182	27%	0.267	C	S	.	.	H	α-helix	trans	-57.3	-45.7	174.5	-82.6	-61.2	-38.7	0	0	112.6	S227 L230 T308 E309 K310 S314 K315	S227-M312 PolarHBondContact OG-SD 3.48Å; S227-M312 VanDerWaalsContact OG-SD 3.37Å; L230-M312 HydrophobicContact CB-CE 3.78Å; L230-M312 HydrophobicContact CD2-CE 3.8Å; L230-M312 HydrophobicContact CD2-SD 3.62Å; L230-M312 HydrophobicContact CG-CE 4.43Å; T308-M312 WeakPolarHBondContact O-CB 3.46Å; T308-M312 WeakPolarHBondContact O-CG 3.29Å; T308-M312 PolarHBondContact O-N 2.97Å; E309-M312 WeakPolarHBondContact O-CB 3.16Å; E309-M312 PolarHBondContact O-N 3.01Å; K310-M312 VanDerWaalsContact C-N 3.27Å; K310-M312 PolarHBondContact O-N 3.49Å; M312-S314 VanDerWaalsContact C-N 3.26Å; M312-S314 PolarHBondContact O-N 3.23Å; M312-K315 PolarHBondContact O-N 3.3Å; M312-K315 VanDerWaalsContact O-N 3.09Å
313	H	89.9	Confident	91.8	Very high	165 Å²	165	50.8 Å²	50.8	76%	0.764	27%	0.271	S	S	*	.	H	α-helix	trans	-63	-32.3	175.5	-71.6	-61	0	0	0	113.3	E309 K310 C311 K315	E309-H313 PolarHBondContact O-CD2 3.5Å; E309-H313 PolarHBondContact O-N 2.74Å; E309-H313 VanDerWaalsContact O-N 3.09Å; K310-H313 PolarHBondContact O-N 2.95Å; C311-H313 PolarHBondContact O-N 3.39Å; H313-K315 VanDerWaalsContact C-N 3.25Å; H313-K315 PolarHBondContact O-N 3.46Å
314	S	89.9	Confident	91.8	Very high	27 Å²	27	50.4 Å²	50.4	19%	0.189	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85	10.3	175.4	75.5	0	0	0	0	114.5	L286 K310 C311 M312 R316	L286-S314 WeakPolarHBondContact CD1-OG 3.23Å; K310-S314 PolarHBondContact O-N 2.91Å; K310-S314 PolarHBondContact O-OG 3.24Å; C311-S314 WeakPolarHBondContact CA-OG 3.5Å; C311-S314 CarbonylContact O-C 3.37Å; C311-S314 WeakPolarHBondContact O-CA 3.36Å; C311-S314 PolarHBondContact O-N 3.27Å; C311-S314 VanDerWaalsContact O-N 3.07Å; C311-S314 PolarHBondContact O-OG 2.84Å; M312-S314 VanDerWaalsContact C-N 3.26Å; M312-S314 PolarHBondContact O-N 3.23Å; S314-R316 PolarHBondContact O-NH1 3.24Å; S314-R316 WeakPolarHBondContact OG-CD 3.43Å
315	K	90.5	Very high	91.9	Very high	112 Å²	112	51.4 Å²	51.4	49%	0.487	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.9	45.8	-177.4	-52.7	-175	174.5	-149.4	0	114	L230 E233 C311 M312 H313	L230-K315 HydrophobicContact CD1-CB 3.75Å; E233-K315 IonicContact OE1-NZ 3.58Å; E233-K315 WeakPolarHBondContact OE2-CD 3.38Å; E233-K315 WeakPolarHBondContact OE2-CE 3.46Å; E233-K315 IonicContact OE2-NZ 3.34Å; E233-K315 PolarHBondContact OE2-NZ 3.01Å; C311-K315 PolarHBondContact O-N 3.01Å; C311-K315 VanDerWaalsContact O-N 3.15Å; M312-K315 PolarHBondContact O-N 3.3Å; M312-K315 VanDerWaalsContact O-N 3.09Å; H313-K315 VanDerWaalsContact C-N 3.25Å; H313-K315 PolarHBondContact O-N 3.46Å
316	R	93	Very high	92.1	Very high	25 Å²	25	43.8 Å²	43.8	9%	0.094	24%	0.244	C	C	.	.			trans	-124.3	132.9	178.8	-64	174.1	165.5	28.7	15.2	110.2	L289 V294 T295 C311 S314	L289-R316 PolarHBondContact O-NE 3.07Å; L289-R316 PolarHBondContact O-NH2 2.83Å; L289-R316 VanDerWaalsContact O-NH2 3.14Å; V294-R316 WeakPolarHBondContact O-CD 3.47Å; V294-R316 WeakPolarHBondContact O-CG 3.37Å; V294-R316 PolarHBondContact O-NE 2.87Å; V294-R316 PolarHBondContact O-NH2 3.48Å; T295-R316 CarbonylContact O-C 3.59Å; T295-R316 WeakPolarHBondContact O-CA 3.48Å; C311-R316 CarbonylContact C-O 3.54Å; C311-R316 HydrophobicContact CB-CB 4.05Å; C311-R316 PolarHBondContact O-N 3.16Å; S314-R316 PolarHBondContact O-NH1 3.24Å; S314-R316 WeakPolarHBondContact OG-CD 3.43Å
317	L	93.8	Very high	92.3	Very high	2 Å²	2	41 Å²	41	1%	0.01	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	124.1	179.7	-176.3	60.4	0	0	0	109.5	V223 L230 T295 L296 I297 I319 I373	V223-L317 HydrophobicContact CG1-CD1 4.3Å; L230-L317 HydrophobicContact CD2-CB 4.13Å; T295-L317 PolarHBondContact O-N 2.86Å; L296-L317 CarbonylContact C-O 3.59Å; L296-L317 WeakPolarHBondContact CA-O 3.39Å; L296-L317 HydrophobicContact CD1-CB 4.12Å; L296-L317 HydrophobicContact CD1-CD2 3.97Å; L296-L317 HydrophobicContact CD1-CG 3.99Å; I297-L317 PolarHBondContact N-O 3.32Å; L317-I319 HydrophobicContact CD2-CD1 4.2Å; L317-I319 HydrophobicContact CG-CD1 4.37Å; L317-I319 HydrophobicContact CG-CG1 4.17Å; L317-I373 HydrophobicContact CD2-CD1 3.94Å
318	V	94.4	Very high	92.5	Very high	17 Å²	17	45.7 Å²	45.7	10%	0.103	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	129.6	175.8	-168.5	0	0	0	0	108.9	L248 I297 V299 V303 C311	L248-V318 HydrophobicContact CD2-CG1 4.49Å; I297-V318 HydrophobicContact CB-CG1 4.29Å; I297-V318 HydrophobicContact CB-CG2 4.48Å; I297-V318 HydrophobicContact CD1-CG2 3.79Å; I297-V318 HydrophobicContact CG2-CG1 4.4Å; V299-V318 HydrophobicContact CG2-CG1 4.47Å; V303-V318 HydrophobicContact CB-CG1 4.44Å; V303-V318 HydrophobicContact CG1-CG1 3.59Å; V303-V318 HydrophobicContact CG2-CG1 4.07Å; C311-V318 HydrophobicContact CB-CG2 3.54Å
319	I	94.5	Very high	92.6	Very high	8 Å²	8	43.9 Å²	43.9	4%	0.041	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	113.8	178.1	-53.4	180	0	0	0	107.8	T221 V223 L296 I297 L298 V299 L317 V322 I373 L375	T221-I319 HydrophobicContact CG2-CD1 3.88Å; T221-I319 HydrophobicContact CG2-CG2 4.03Å; V223-I319 HydrophobicContact CG1-CD1 4.39Å; V223-I319 HydrophobicContact CG1-CG1 4.38Å; L296-I319 HydrophobicContact CD1-CD1 3.99Å; L296-I319 HydrophobicContact CD1-CG1 4.27Å; I297-I319 PolarHBondContact O-N 3.29Å; L298-I319 HydrophobicContact CD2-CB 3.93Å; L298-I319 HydrophobicContact CD2-CD1 4.01Å; L298-I319 HydrophobicContact CD2-CG1 4.32Å; V299-I319 PolarHBondContact N-O 2.96Å; L317-I319 HydrophobicContact CD2-CD1 4.2Å; L317-I319 HydrophobicContact CG-CD1 4.37Å; L317-I319 HydrophobicContact CG-CG1 4.17Å; I319-V322 HydrophobicContact CB-CG2 4.35Å; I319-V322 HydrophobicContact CG2-CG2 3.76Å; I319-I373 HydrophobicContact CD1-CD1 3.93Å; I319-L375 HydrophobicContact CD1-CD1 3.65Å
320	G	93.3	Very high	92.8	Very high	31 Å²	31	38.2 Å²	38.2	32%	0.32	22%	0.216	S	C	.	.			trans	-95.8	174.5	177.2	0	0	0	0	0	113.6	V299 V322	V299-G320 CarbonylContact O-C 3.34Å; V299-G320 WeakPolarHBondContact O-CA 3.34Å; G320-V322 PolarHBondContact O-N 3.17Å
321	A	92.2	Very high	93	Very high	84 Å²	84	37.1 Å²	37.1	69%	0.694	21%	0.214	S	C	*	.	S	Bend	trans	54.3	37.2	179.1	0	0	0	0	0	113.8	V299 Q300 G301	V299-A321 PolarHBondContact O-N 3.33Å; V299-A321 VanDerWaalsContact O-N 3.08Å; Q300-A321 WeakPolarHBondContact O-CA 3.47Å; G301-A321 PolarHBondContact O-N 3.01Å
322	V	93.7	Very high	93.1	Very high	3 Å²	3	41.5 Å²	41.5	2%	0.018	23%	0.234	C	C	.	.			trans	-81	138.2	179.4	178.7	0	0	0	0	110	Y219 L298 V299 Q300 I319 G320 V326 L327	Y219-V322 HydrophobicContact CE1-CG1 4.28Å; Y219-V322 HydrophobicContact CE1-CG2 4.38Å; L298-V322 HydrophobicContact CB-CG2 4.49Å; L298-V322 HydrophobicContact CD2-CG2 4.42Å; V299-V322 WeakPolarHBondContact O-CB 3.37Å; V299-V322 PolarHBondContact O-N 3.4Å; Q300-V322 VanDerWaalsContact CA-O 3.28Å; Q300-V322 WeakPolarHBondContact CA-O 3.25Å; I319-V322 HydrophobicContact CB-CG2 4.35Å; I319-V322 HydrophobicContact CG2-CG2 3.76Å; G320-V322 PolarHBondContact O-N 3.17Å; V322-V326 HydrophobicContact CG1-CB 3.53Å; V322-V326 HydrophobicContact CG1-CG1 3.52Å; V322-V326 HydrophobicContact CG1-CG2 4.17Å; V322-L327 HydrophobicContact CG1-CD2 4.1Å; V322-L327 HydrophobicContact CG1-CG 4.31Å
323	N	92.3	Very high	93.2	Very high	93 Å²	93	41 Å²	41	50%	0.497	24%	0.236	S	C	.	.			trans	-65.4	142.2	177.5	-168.6	-38.7	0	0	0	110.8	S325 V326 L327	N323-S325 PolarHBondContact O-N 2.95Å; N323-S325 PolarHBondContact OD1-N 3.48Å; N323-S325 PolarHBondContact OD1-OG 2.86Å; N323-V326 HydrophobicContact CB-CG2 4.08Å; N323-V326 WeakPolarHBondContact O-CA 3.28Å; N323-V326 VanDerWaalsContact O-CB 3.28Å; N323-V326 WeakPolarHBondContact O-CB 3.37Å; N323-V326 PolarHBondContact O-N 3.22Å; N323-L327 PolarHBondContact O-N 3.35Å
324	G	92.6	Very high	93.4	Very high	23 Å²	23	33.5 Å²	33.5	24%	0.237	20%	0.202	C	C	.	.	H	α-helix	trans	-56.1	-32.3	175.5	0	0	0	0	0	113.6	V326 L327 Q328	G324-V326 VanDerWaalsContact C-N 3.29Å; G324-V326 PolarHBondContact O-N 3.05Å; G324-L327 PolarHBondContact O-N 3.48Å; G324-Q328 WeakPolarHBondContact O-CB 3.33Å; G324-Q328 PolarHBondContact O-N 3.45Å
325	S	93.2	Very high	93.6	Very high	34 Å²	34	42.7 Å²	42.7	24%	0.238	23%	0.232	C	C	.	.	H	α-helix	trans	-64.9	-32.3	174.3	62.7	0	0	0	0	113	N323 A329	N323-S325 PolarHBondContact O-N 2.95Å; N323-S325 PolarHBondContact OD1-N 3.48Å; N323-S325 PolarHBondContact OD1-OG 2.86Å; S325-A329 WeakPolarHBondContact O-CB 3.33Å; S325-A329 PolarHBondContact O-N 2.8Å
326	V	94.8	Very high	93.8	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-68.4	-48.2	173.8	178.6	0	0	0	0	109.9	L201 Y219 V322 N323 G324 Q328 A329 F330 L382	L201-V326 HydrophobicContact CD1-CG2 3.26Å; Y219-V326 HydrophobicContact CD1-CG1 3.7Å; Y219-V326 HydrophobicContact CD2-CG1 3.99Å; Y219-V326 HydrophobicContact CD2-CG2 3.73Å; Y219-V326 HydrophobicContact CE1-CG1 4.01Å; Y219-V326 HydrophobicContact CE2-CG1 4.3Å; Y219-V326 HydrophobicContact CE2-CG2 3.69Å; Y219-V326 HydrophobicContact CG-CG1 3.7Å; Y219-V326 HydrophobicContact CG-CG2 4.3Å; V322-V326 HydrophobicContact CG1-CB 3.53Å; V322-V326 HydrophobicContact CG1-CG1 3.52Å; V322-V326 HydrophobicContact CG1-CG2 4.17Å; N323-V326 HydrophobicContact CB-CG2 4.08Å; N323-V326 WeakPolarHBondContact O-CA 3.28Å; N323-V326 VanDerWaalsContact O-CB 3.28Å; N323-V326 WeakPolarHBondContact O-CB 3.37Å; N323-V326 PolarHBondContact O-N 3.22Å; G324-V326 VanDerWaalsContact C-N 3.29Å; G324-V326 PolarHBondContact O-N 3.05Å; V326-Q328 VanDerWaalsContact C-N 3.3Å; V326-Q328 PolarHBondContact O-N 3.36Å; V326-A329 PolarHBondContact O-N 2.64Å; V326-F330 HydrophobicContact CG1-CD2 3.68Å; V326-F330 HydrophobicContact CG1-CE2 3.73Å; V326-F330 WeakPolarHBondContact O-CD2 3.22Å; V326-F330 PolarHBondContact O-N 2.85Å; V326-L382 HydrophobicContact CB-CD2 4.47Å; V326-L382 HydrophobicContact CG1-CD2 4.21Å; V326-L382 HydrophobicContact CG2-CD2 4.23Å
327	L	94.9	Very high	93.9	Very high	4 Å²	4	40.1 Å²	40.1	2%	0.021	23%	0.229	C	C	.	.	H	α-helix	trans	-57.4	-46.4	177.7	-68.1	-171.7	0	0	0	110.9	L243 E245 L298 Q300 V322 N323 G324 A329 F330 A331	L243-L327 HydrophobicContact CB-CD2 4.2Å; L243-L327 WeakPolarHBondContact CD1-O 3.4Å; L243-L327 HydrophobicContact CD2-CD2 3.92Å; E245-L327 HydrophobicContact CG-CD1 4.47Å; L298-L327 HydrophobicContact CB-CD2 3.54Å; Q300-L327 HydrophobicContact CB-CD1 3.64Å; V322-L327 HydrophobicContact CG1-CD2 4.1Å; V322-L327 HydrophobicContact CG1-CG 4.31Å; N323-L327 PolarHBondContact O-N 3.35Å; G324-L327 PolarHBondContact O-N 3.48Å; L327-A329 PolarHBondContact O-N 3.43Å; L327-F330 PolarHBondContact O-N 2.9Å; L327-A331 WeakPolarHBondContact O-CB 3.41Å; L327-A331 PolarHBondContact O-N 3.39Å
328	Q	94.9	Very high	93.9	Very high	98 Å²	98	41.7 Å²	41.7	46%	0.458	24%	0.239	S	C	.	.	H	α-helix	trans	-59.5	-44.8	176.8	-177.5	60.4	30.4	0	0	112	G324 V326 F330 A331 E332	G324-Q328 WeakPolarHBondContact O-CB 3.33Å; G324-Q328 PolarHBondContact O-N 3.45Å; V326-Q328 VanDerWaalsContact C-N 3.3Å; V326-Q328 PolarHBondContact O-N 3.36Å; Q328-F330 VanDerWaalsContact C-N 3.35Å; Q328-F330 PolarHBondContact O-N 3.35Å; Q328-A331 WeakPolarHBondContact O-CB 3.14Å; Q328-A331 PolarHBondContact O-N 2.9Å; Q328-E332 PolarHBondContact NE2-OE1 3.14Å; Q328-E332 WeakPolarHBondContact O-CG 3.34Å; Q328-E332 PolarHBondContact O-N 3.16Å
329	A	93.7	Very high	93.9	Very high	4 Å²	4	41.3 Å²	41.3	3%	0.033	24%	0.237	C	C	.	.	H	α-helix	trans	-64.3	-38.2	179	0	0	0	0	0	112.6	S325 V326 L327 A333 I380 L382	S325-A329 WeakPolarHBondContact O-CB 3.33Å; S325-A329 PolarHBondContact O-N 2.8Å; V326-A329 PolarHBondContact O-N 2.64Å; L327-A329 PolarHBondContact O-N 3.43Å; A329-A333 WeakPolarHBondContact O-CB 3.38Å; A329-A333 PolarHBondContact O-N 3.45Å; A329-I380 HydrophobicContact CB-CG1 4.47Å; A329-L382 HydrophobicContact CB-CB 3.92Å; A329-L382 HydrophobicContact CB-CD1 4.14Å; A329-L382 HydrophobicContact CB-CD2 4.36Å; A329-L382 HydrophobicContact CB-CG 4.38Å
330	F	95.1	Very high	93.7	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-71.4	-34.3	173.3	-83.5	-78.1	0	0	0	112.4	Y219 L243 L298 V326 L327 Q328 E332 A333 T334 V354 L375 A377 I380	Y219-F330 HydrophobicContact CD1-CE2 4.37Å; Y219-F330 HydrophobicContact CG-CE2 4.42Å; L243-F330 HydrophobicContact CD1-CB 4.33Å; L243-F330 HydrophobicContact CD2-CB 3.96Å; L298-F330 HydrophobicContact CD1-CB 4.42Å; L298-F330 HydrophobicContact CD1-CD2 3.68Å; L298-F330 HydrophobicContact CD1-CE2 4.05Å; L298-F330 HydrophobicContact CD1-CG 3.97Å; V326-F330 HydrophobicContact CG1-CD2 3.68Å; V326-F330 HydrophobicContact CG1-CE2 3.73Å; V326-F330 WeakPolarHBondContact O-CD2 3.22Å; V326-F330 PolarHBondContact O-N 2.85Å; L327-F330 PolarHBondContact O-N 2.9Å; Q328-F330 VanDerWaalsContact C-N 3.35Å; Q328-F330 PolarHBondContact O-N 3.35Å; F330-E332 VanDerWaalsContact C-N 3.35Å; F330-A333 PolarHBondContact O-N 3.07Å; F330-T334 HydrophobicContact CD1-CG2 4.15Å; F330-T334 VanDerWaalsContact O-CB 3.3Å; F330-T334 WeakPolarHBondContact O-CB 3.13Å; F330-T334 WeakPolarHBondContact O-CG2 3.46Å; F330-T334 PolarHBondContact O-N 2.86Å; F330-T334 PolarHBondContact O-OG1 2.8Å; F330-V354 HydrophobicContact CD1-CG2 4.04Å; F330-V354 HydrophobicContact CE1-CG1 3.98Å; F330-V354 HydrophobicContact CE1-CG2 4.12Å; F330-L375 HydrophobicContact CE1-CB 4.47Å; F330-L375 HydrophobicContact CZ-CB 3.75Å; F330-A377 HydrophobicContact CD1-CB 4.37Å; F330-A377 HydrophobicContact CE1-CB 4.22Å; F330-I380 HydrophobicContact CD1-CD1 4.14Å; F330-I380 HydrophobicContact CD2-CD1 4.2Å; F330-I380 HydrophobicContact CE1-CD1 3.77Å; F330-I380 HydrophobicContact CE2-CD1 3.84Å; F330-I380 HydrophobicContact CG-CD1 4.33Å; F330-I380 HydrophobicContact CZ-CD1 3.6Å
331	A	94.8	Very high	93.5	Very high	12 Å²	12	43.8 Å²	43.8	10%	0.099	24%	0.243	C	C	.	.	H	α-helix	trans	-60.7	-46.5	174.1	0	0	0	0	0	110.7	L243 L327 Q328 R335 A336 P338	L243-A331 HydrophobicContact CD1-CB 3.61Å; L327-A331 WeakPolarHBondContact O-CB 3.41Å; L327-A331 PolarHBondContact O-N 3.39Å; Q328-A331 WeakPolarHBondContact O-CB 3.14Å; Q328-A331 PolarHBondContact O-N 2.9Å; A331-R335 WeakPolarHBondContact O-CA 3.4Å; A331-R335 PolarHBondContact O-N 2.88Å; A331-A336 WeakPolarHBondContact CA-O 3.46Å; A331-A336 WeakPolarHBondContact CB-O 3.41Å; A331-P338 HydrophobicContact CB-CG 4.04Å
332	E	93.5	Very high	93.3	Very high	93 Å²	93	40.2 Å²	40.2	44%	0.435	21%	0.213	S	C	.	.	H	α-helix	trans	-62.5	-45.7	176.7	-71.5	170.5	-168.1	0	0	112.5	R199 Q328 F330	R199-E332 IonicContact CZ-OE2 3.61Å; R199-E332 IonicContact NH1-OE2 3.5Å; R199-E332 PolarHBondContact NH1-OE2 2.97Å; R199-E332 VanDerWaalsContact NH1-OE2 3.09Å; R199-E332 IonicContact NH2-OE1 3.75Å; R199-E332 IonicContact NH2-OE2 3.36Å; R199-E332 PolarHBondContact NH2-OE2 3.39Å; Q328-E332 PolarHBondContact NE2-OE1 3.14Å; Q328-E332 WeakPolarHBondContact O-CG 3.34Å; Q328-E332 PolarHBondContact O-N 3.16Å; F330-E332 VanDerWaalsContact C-N 3.35Å
333	A	92.9	Very high	92.9	Very high	26 Å²	26	44.6 Å²	44.6	22%	0.215	24%	0.24	C	C	.	.	H	α-helix	trans	-74.4	-41.3	-176.2	0	0	0	0	0	113.3	A329 F330 A377 I380	A329-A333 WeakPolarHBondContact O-CB 3.38Å; A329-A333 PolarHBondContact O-N 3.45Å; F330-A333 PolarHBondContact O-N 3.07Å; A333-A377 HydrophobicContact CB-CB 4Å; A333-I380 HydrophobicContact CB-CB 4.05Å; A333-I380 HydrophobicContact CB-CG1 4.33Å
334	T	93.8	Very high	92.8	Very high	8 Å²	8	44.7 Å²	44.7	5%	0.049	24%	0.237	C	C	.	.	H	α-helix	trans	-99.5	-6.8	-171.7	69.4	0	0	0	0	113.7	V241 F330 A336 G351 S352 V354 A377	V241-T334 HydrophobicContact CG1-CG2 4.06Å; F330-T334 HydrophobicContact CD1-CG2 4.15Å; F330-T334 VanDerWaalsContact O-CB 3.3Å; F330-T334 WeakPolarHBondContact O-CB 3.13Å; F330-T334 WeakPolarHBondContact O-CG2 3.46Å; F330-T334 PolarHBondContact O-N 2.86Å; F330-T334 PolarHBondContact O-OG1 2.8Å; T334-A336 PolarHBondContact O-N 3.4Å; T334-A336 WeakPolarHBondContact OG1-CB 3.48Å; T334-A336 PolarHBondContact OG1-N 3.1Å; T334-G351 WeakPolarHBondContact O-CA 3.43Å; T334-S352 WeakPolarHBondContact CB-O 3.42Å; T334-S352 PolarHBondContact O-N 3.27Å; T334-V354 HydrophobicContact CG2-CG2 3.48Å; T334-V354 VanDerWaalsContact CG2-CG2 3.48Å; T334-A377 HydrophobicContact CG2-CB 3.9Å
335	R	93	Very high	92.7	Very high	219 Å²	219	44.1 Å²	44.1	83%	0.826	23%	0.229	S	C	*	.			trans	60.8	18.8	-171.4	-53.2	179.1	-179	161.4	1.4	114.3	A331	A331-R335 WeakPolarHBondContact O-CA 3.4Å; A331-R335 PolarHBondContact O-N 2.88Å
336	A	94.7	Very high	92.7	Very high	6 Å²	6	45.6 Å²	45.6	5%	0.05	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-65.1	146.2	170.9	0	0	0	0	0	110.9	L243 A331 T334 C349	L243-A336 HydrophobicContact CD1-CB 3.63Å; L243-A336 HydrophobicContact CG-CB 3.87Å; A331-A336 WeakPolarHBondContact CA-O 3.46Å; A331-A336 WeakPolarHBondContact CB-O 3.41Å; T334-A336 PolarHBondContact O-N 3.4Å; T334-A336 WeakPolarHBondContact OG1-CB 3.48Å; T334-A336 PolarHBondContact OG1-N 3.1Å; A336-C349 WeakPolarHBondContact CA-O 3.3Å
337	V	95.7	Very high	92.5	Very high	77 Å²	77	50.5 Å²	50.5	47%	0.467	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-102.2	118	171.8	-176.9	0	0	0	0	108.4	V339 C349	V337-V339 PolarHBondContact O-N 2.98Å; V337-C349 HydrophobicContact CB-CB 4.46Å; V337-C349 PolarHBondContact N-O 3.46Å; V337-C349 VanDerWaalsContact N-O 3.12Å
338	P	94.5	Very high	92.4	Very high	35 Å²	35	56.7 Å²	56.7	23%	0.227	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-59	136	174.7	-22.2	33.2	0	0	0	111.7	L243 E245 A331	L243-P338 HydrophobicContact CB-CB 4.33Å; L243-P338 HydrophobicContact CB-CG 4.43Å; L243-P338 HydrophobicContact CD1-CG 4.24Å; E245-P338 HydrophobicContact CG-CB 3.86Å; A331-P338 HydrophobicContact CB-CG 4.04Å
339	V	94	Very high	92.3	Very high	10 Å²	10	52.5 Å²	52.5	6%	0.061	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-122.4	151.1	177.5	-65.2	0	0	0	0	111.1	I242 L243 I244 E245 V337 Q344 V345 C349	I242-V339 HydrophobicContact CG2-CG2 4.35Å; L243-V339 PolarHBondContact O-N 3.28Å; I244-V339 CarbonylContact C-O 3.55Å; I244-V339 VanDerWaalsContact CA-O 3.25Å; I244-V339 WeakPolarHBondContact CA-O 3.45Å; I244-V339 HydrophobicContact CG1-CG2 4.33Å; E245-V339 PolarHBondContact N-O 3.2Å; V337-V339 PolarHBondContact O-N 2.98Å; V339-Q344 HydrophobicContact CB-CB 4.28Å; V339-Q344 HydrophobicContact CG1-CB 4.25Å; V339-V345 HydrophobicContact CG2-CG2 3.96Å; V339-C349 HydrophobicContact CG1-CB 4.17Å
340	A	90.2	Very high	92.4	Very high	31 Å²	31	53 Å²	53	26%	0.256	28%	0.275	S	S	.	.	S	Bend	trans	-82.6	-34.4	176.6	0	0	0	0	0	111.9
341	Y	88.6	Confident	92.4	Very high	59 Å²	59	53 Å²	53	23%	0.231	28%	0.275	C	S	.	.	S	Bend	trans	-125.7	141.6	-179	-61.9	-76.5	0	0	0	111.4	Y252 H254 T343 Q344	Y252-Y341 AromaticContact CD1-CD1 3.96Å; Y252-Y341 HydrophobicContact CD1-CD1 3.96Å; Y252-Y341 AromaticContact CD1-CE1 3.45Å; Y252-Y341 HydrophobicContact CD1-CE1 3.45Å; Y252-Y341 VanDerWaalsContact CD1-CE1 3.45Å; Y252-Y341 HydrophobicContact CE1-CD1 4.16Å; Y252-Y341 AromaticContact CE1-CE1 3.58Å; Y252-Y341 HydrophobicContact CE1-CE1 3.58Å; H254-Y341 VanDerWaalsContact CB-OH 3.28Å; H254-Y341 WeakPolarHBondContact CB-OH 3.38Å; H254-Y341 PolarHBondContact N-OH 3.33Å; H254-Y341 PolarHBondContact ND1-OH 3.45Å; Y341-T343 PolarHBondContact O-N 3.27Å; Y341-Q344 WeakPolarHBondContact O-CB 3.48Å; Y341-Q344 PolarHBondContact O-N 3.13Å
342	V	88.3	Confident	92.3	Very high	10 Å²	10	56.2 Å²	56.2	6%	0.061	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-63.1	-23.4	176.3	68.6	0	0	0	0	113.4	I244 L248 V285 V288 Q344 V345	I244-V342 HydrophobicContact CD1-CB 4.37Å; L248-V342 HydrophobicContact CD1-CB 3.97Å; L248-V342 HydrophobicContact CD1-CG1 4.1Å; V285-V342 HydrophobicContact CB-CG1 4.41Å; V285-V342 HydrophobicContact CG1-CG1 4.21Å; V285-V342 HydrophobicContact CG1-CG2 3.99Å; V285-V342 HydrophobicContact CG2-CG1 3.57Å; V288-V342 HydrophobicContact CG1-CG2 4.4Å; V342-Q344 PolarHBondContact O-N 2.81Å; V342-V345 HydrophobicContact CG2-CG2 4.18Å; V342-V345 VanDerWaalsContact O-CB 3.28Å; V342-V345 WeakPolarHBondContact O-CB 3.5Å; V342-V345 WeakPolarHBondContact O-CG2 3.37Å; V342-V345 PolarHBondContact O-N 3.02Å
343	T	86.1	Confident	92.2	Very high	94 Å²	94	53.3 Å²	53.3	58%	0.577	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-69.9	-15.2	174	52.1	0	0	0	0	113.6	Y341 V345	Y341-T343 PolarHBondContact O-N 3.27Å; T343-V345 VanDerWaalsContact C-N 3.32Å
344	Q	89.4	Confident	92.3	Very high	95 Å²	95	52 Å²	52	44%	0.444	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-86.2	-8.4	176.3	-63.5	171.1	-29.7	0	0	112.5	V339 Y341 V342 N346	V339-Q344 HydrophobicContact CB-CB 4.28Å; V339-Q344 HydrophobicContact CG1-CB 4.25Å; Y341-Q344 WeakPolarHBondContact O-CB 3.48Å; Y341-Q344 PolarHBondContact O-N 3.13Å; V342-Q344 PolarHBondContact O-N 2.81Å; Q344-N346 PolarHBondContact O-N 3.09Å
345	V	91.7	Very high	92.3	Very high	12 Å²	12	53.3 Å²	53.3	7%	0.073	29%	0.291	C	S	.	.			trans	-62.8	125.7	-178.8	174.3	0	0	0	0	109.6	I242 V288 F292 V339 V342 T343 V350	I242-V345 HydrophobicContact CD1-CB 4.29Å; I242-V345 HydrophobicContact CD1-CG1 3.4Å; I242-V345 VanDerWaalsContact CD1-CG1 3.4Å; I242-V345 HydrophobicContact CD1-CG2 3.87Å; I242-V345 HydrophobicContact CG1-CG1 4.28Å; I242-V345 HydrophobicContact CG2-CG2 4.08Å; V288-V345 HydrophobicContact CG1-CB 4Å; V288-V345 HydrophobicContact CG1-CG1 4.15Å; F292-V345 HydrophobicContact CD2-CG1 3.61Å; F292-V345 HydrophobicContact CE2-CG1 3.96Å; F292-V345 VanDerWaalsContact CE2-O 3.31Å; F292-V345 WeakPolarHBondContact CE2-O 3.41Å; F292-V345 HydrophobicContact CG-CG1 4.29Å; V339-V345 HydrophobicContact CG2-CG2 3.96Å; V342-V345 HydrophobicContact CG2-CG2 4.18Å; V342-V345 VanDerWaalsContact O-CB 3.28Å; V342-V345 WeakPolarHBondContact O-CB 3.5Å; V342-V345 WeakPolarHBondContact O-CG2 3.37Å; V342-V345 PolarHBondContact O-N 3.02Å; T343-V345 VanDerWaalsContact C-N 3.32Å; V345-V350 HydrophobicContact CG1-CG2 4.22Å
346	N	92.4	Very high	92.3	Very high	65 Å²	65	43 Å²	43	35%	0.348	25%	0.251	S	S	.	.			trans	-132.6	179.3	169	61.6	52.5	0	0	0	109.1	Q344 D348 C349 V350	Q344-N346 PolarHBondContact O-N 3.09Å; N346-D348 PolarHBondContact O-N 2.96Å; N346-D348 WeakPolarHBondContact OD1-CA 3.44Å; N346-D348 VanDerWaalsContact OD1-CB 3.32Å; N346-D348 WeakPolarHBondContact OD1-CB 3.16Å; N346-D348 PolarHBondContact OD1-N 3.34Å; N346-C349 PolarHBondContact O-N 2.88Å; N346-C349 VanDerWaalsContact O-N 3.13Å; N346-C349 PolarHBondContact OD1-N 3.41Å; N346-C349 VanDerWaalsContact OD1-N 3.13Å; N346-C349 PolarHBondContact OD1-SG 3.39Å; N346-C349 VanDerWaalsContact OD1-SG 3.36Å; N346-V350 WeakPolarHBondContact O-CG2 3.32Å
347	E	91.3	Very high	92.2	Very high	103 Å²	103	44.8 Å²	44.8	48%	0.481	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-59.9	-33.7	-177.6	-168.6	66.3	-164.6	0	0	112.7	R240 F292 C349 V350	R240-E347 IonicContact CZ-OE1 2.64Å; R240-E347 IonicContact CZ-OE2 3.19Å; R240-E347 IonicContact NH1-OE1 2.98Å; R240-E347 PolarHBondContact NH1-OE1 2.75Å; R240-E347 IonicContact NH1-OE2 2.89Å; R240-E347 IonicContact NH2-OE1 3.6Å; R240-E347 PolarHBondContact NH2-OE1 2.89Å; R240-E347 IonicContact NH2-OE2 2.75Å; R240-E347 PolarHBondContact NH2-OE2 2.64Å; F292-E347 WeakPolarHBondContact CD1-OE2 3.23Å; F292-E347 HydrophobicContact CE1-CB 4.39Å; E347-C349 VanDerWaalsContact C-N 3.3Å; E347-C349 PolarHBondContact O-N 3.48Å; E347-V350 PolarHBondContact O-N 2.68Å
348	D	92	Very high	91.9	Very high	133 Å²	133	42.5 Å²	42.5	71%	0.711	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-73.5	-22.4	-179.6	-54.8	-44.7	0	0	0	112.6	N346 V350	N346-D348 PolarHBondContact O-N 2.96Å; N346-D348 WeakPolarHBondContact OD1-CA 3.44Å; N346-D348 VanDerWaalsContact OD1-CB 3.32Å; N346-D348 WeakPolarHBondContact OD1-CB 3.16Å; N346-D348 PolarHBondContact OD1-N 3.34Å; D348-V350 VanDerWaalsContact C-N 3.33Å
349	C	93.8	Very high	91.6	Very high	10 Å²	10	41.6 Å²	41.6	7%	0.068	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-78.1	-18.7	177.6	-61.8	0	0	0	0	113.2	A336 V337 V339 N346 E347	A336-C349 WeakPolarHBondContact CA-O 3.3Å; V337-C349 HydrophobicContact CB-CB 4.46Å; V337-C349 PolarHBondContact N-O 3.46Å; V337-C349 VanDerWaalsContact N-O 3.12Å; V339-C349 HydrophobicContact CG1-CB 4.17Å; N346-C349 PolarHBondContact O-N 2.88Å; N346-C349 VanDerWaalsContact O-N 3.13Å; N346-C349 PolarHBondContact OD1-N 3.41Å; N346-C349 VanDerWaalsContact OD1-N 3.13Å; N346-C349 PolarHBondContact OD1-SG 3.39Å; N346-C349 VanDerWaalsContact OD1-SG 3.36Å; E347-C349 VanDerWaalsContact C-N 3.3Å; E347-C349 PolarHBondContact O-N 3.48Å
350	V	95.3	Very high	90.9	Very high	15 Å²	15	42 Å²	42	9%	0.091	24%	0.24	C	C	.	.			trans	-89.9	118.6	-168.9	-178.5	0	0	0	0	111	R240 I242 F292 V294 V345 N346 E347 D348	R240-V350 HydrophobicContact CB-CG1 3.81Å; R240-V350 HydrophobicContact CG-CG1 4.37Å; I242-V350 HydrophobicContact CD1-CG2 4.18Å; I242-V350 HydrophobicContact CG1-CG2 3.91Å; F292-V350 HydrophobicContact CB-CG2 4.06Å; V294-V350 HydrophobicContact CG2-CG1 3.68Å; V294-V350 HydrophobicContact CG2-CG2 3.97Å; V345-V350 HydrophobicContact CG1-CG2 4.22Å; N346-V350 WeakPolarHBondContact O-CG2 3.32Å; E347-V350 PolarHBondContact O-N 2.68Å; D348-V350 VanDerWaalsContact C-N 3.33Å
351	G	94.5	Very high	90.1	Very high	1 Å²	1	43 Å²	43	1%	0.01	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	164.9	173.1	0	0	0	0	0	112.8	R240 V241 T334	R240-G351 CarbonylContact C-O 3.56Å; R240-G351 VanDerWaalsContact CA-O 3.23Å; R240-G351 WeakPolarHBondContact CA-O 3.39Å; V241-G351 PolarHBondContact N-O 3.35Å; V241-G351 PolarHBondContact O-N 3Å; T334-G351 WeakPolarHBondContact O-CA 3.43Å
352	S	93.1	Very high	88.8	Confident	78 Å²	78	41.5 Å²	41.5	55%	0.545	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	165.4	176.7	69.7	0	0	0	0	111.4	T334	T334-S352 WeakPolarHBondContact CB-O 3.42Å; T334-S352 PolarHBondContact O-N 3.27Å
353	G	91.5	Very high	87.5	Confident	32 Å²	32	48.3 Å²	48.3	33%	0.33	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	90.3	14.2	174	0	0	0	0	0	115	F239	F239-G353 PolarHBondContact O-N 3.44Å
354	V	94.3	Very high	86.2	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	136.8	173.5	-174.1	0	0	0	0	109.6	P238 F239 V241 L296 F330 T334 L375 T376 A377	P238-V354 CarbonylContact C-O 3.4Å; P238-V354 VanDerWaalsContact CA-O 3.31Å; P238-V354 WeakPolarHBondContact CA-O 3.38Å; F239-V354 WeakPolarHBondContact CD1-O 3.41Å; F239-V354 HydrophobicContact CD2-CB 4.13Å; F239-V354 WeakPolarHBondContact CE1-O 3.38Å; F239-V354 HydrophobicContact CE2-CB 3.69Å; F239-V354 HydrophobicContact CE2-CG1 3.63Å; F239-V354 HydrophobicContact CZ-CB 4.23Å; F239-V354 HydrophobicContact CZ-CG1 3.86Å; F239-V354 PolarHBondContact N-O 3.44Å; F239-V354 PolarHBondContact O-N 3.15Å; V241-V354 HydrophobicContact CB-CG2 3.92Å; V241-V354 HydrophobicContact CG1-CG2 3.6Å; L296-V354 HydrophobicContact CD2-CB 4.49Å; L296-V354 HydrophobicContact CD2-CG1 3.79Å; F330-V354 HydrophobicContact CD1-CG2 4.04Å; F330-V354 HydrophobicContact CE1-CG1 3.98Å; F330-V354 HydrophobicContact CE1-CG2 4.12Å; T334-V354 HydrophobicContact CG2-CG2 3.48Å; T334-V354 VanDerWaalsContact CG2-CG2 3.48Å; V354-L375 HydrophobicContact CG1-CD2 4.41Å; V354-T376 CarbonylContact C-O 3.54Å; V354-T376 WeakPolarHBondContact CA-O 3.27Å; V354-A377 HydrophobicContact CG2-CB 4.44Å
355	S	93.5	Very high	84.8	Confident	35 Å²	35	45.2 Å²	45.2	25%	0.245	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	151.3	171.7	65.5	0	0	0	0	110.6	L375 T376	S355-L375 WeakPolarHBondContact O-CA 3.26Å; S355-T376 PolarHBondContact N-O 2.94Å; S355-T376 PolarHBondContact O-N 2.9Å; S355-T376 PolarHBondContact OG-O 3.13Å; S355-T376 PolarHBondContact OG-OG1 2.98Å
356	V	93.4	Very high	82.8	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.006	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	136.8	176	68.4	0	0	0	0	109.9	I231 L234 F239 I373 L374 L375	I231-V356 HydrophobicContact CG2-CG1 4.25Å; I231-V356 HydrophobicContact CG2-CG2 4.03Å; L234-V356 HydrophobicContact CB-CG1 3.59Å; F239-V356 HydrophobicContact CE1-CB 3.99Å; F239-V356 HydrophobicContact CE1-CG1 3.73Å; F239-V356 HydrophobicContact CZ-CB 3.89Å; F239-V356 HydrophobicContact CZ-CG1 4.08Å; V356-I373 HydrophobicContact CG2-CB 4.09Å; V356-I373 HydrophobicContact CG2-CD1 3.99Å; V356-I373 HydrophobicContact CG2-CG2 4.41Å; V356-L374 WeakPolarHBondContact CA-O 3.46Å; V356-L375 HydrophobicContact CB-CD2 3.74Å; V356-L375 HydrophobicContact CG2-CD2 3.68Å
357	T	92.3	Very high	81.2	Confident	45 Å²	45	61.1 Å²	61.1	28%	0.276	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	156.2	170.5	56.7	0	0	0	0	110.1	W359 I373 L374	T357-W359 PolarHBondContact O-N 3.09Å; T357-I373 WeakPolarHBondContact O-CA 3.49Å; T357-L374 PolarHBondContact N-O 3.25Å; T357-L374 PolarHBondContact O-N 3.33Å
358	F	90.8	Very high	79.8	Confident	29 Å²	29	58.7 Å²	58.7	13%	0.127	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	131	168.3	-70.2	-75	0	0	0	109.4	I228 I231 K232 P362 I371 I373	I228-F358 HydrophobicContact CG2-CZ 4.11Å; I231-F358 HydrophobicContact CB-CE1 4.04Å; I231-F358 HydrophobicContact CB-CE2 4.11Å; I231-F358 HydrophobicContact CB-CZ 3.58Å; I231-F358 HydrophobicContact CD1-CE1 3.96Å; I231-F358 HydrophobicContact CD1-CZ 4.28Å; I231-F358 HydrophobicContact CG2-CD1 4.18Å; I231-F358 HydrophobicContact CG2-CD2 4.05Å; I231-F358 HydrophobicContact CG2-CE1 3.74Å; I231-F358 HydrophobicContact CG2-CE2 3.58Å; I231-F358 HydrophobicContact CG2-CG 4.33Å; I231-F358 HydrophobicContact CG2-CZ 3.43Å; I231-F358 VanDerWaalsContact CG2-CZ 3.43Å; K232-F358 HydrophobicContact CG-CE2 3.58Å; K232-F358 HydrophobicContact CG-CZ 4.03Å; F358-P362 HydrophobicContact CD1-CG 4.04Å; F358-P362 HydrophobicContact CD2-CG 4.46Å; F358-P362 HydrophobicContact CE1-CG 4.04Å; F358-P362 HydrophobicContact CE2-CG 4.48Å; F358-P362 HydrophobicContact CG-CG 4.24Å; F358-P362 HydrophobicContact CZ-CG 4.25Å; F358-I371 HydrophobicContact CD1-CG2 3.78Å; F358-I371 HydrophobicContact CE1-CD1 4.4Å; F358-I371 HydrophobicContact CE1-CG2 4.11Å; F358-I373 HydrophobicContact CD1-CG2 4.42Å
359	W	86.8	Confident	79	Confident	15 Å²	15	58.4 Å²	58.4	6%	0.057	31%	0.314	C	S	.	.	S	Bend	trans	-67.8	-47.8	174.3	-179.1	-113.1	0	0	0	110.4	T37 R214 V220 T357 A372 L374 V386	T37-W359 HydrophobicContact CG2-CH2 3.79Å; T37-W359 HydrophobicContact CG2-CZ3 3.85Å; R214-W359 HydrophobicContact CG-CH2 3.57Å; R214-W359 HydrophobicContact CG-CZ2 3.16Å; R214-W359 VanDerWaalsContact CZ-CZ2 3.45Å; R214-W359 VanDerWaalsContact NH2-CE3 3.25Å; R214-W359 VanDerWaalsContact NH2-CG 3.3Å; R214-W359 PolarHBondContact NH2-O 3.35Å; V220-W359 HydrophobicContact CG1-CB 4.43Å; V220-W359 HydrophobicContact CG1-CD2 4.44Å; V220-W359 HydrophobicContact CG1-CG 4.24Å; V220-W359 HydrophobicContact CG2-CD2 4.17Å; V220-W359 HydrophobicContact CG2-CE3 4.05Å; V220-W359 HydrophobicContact CG2-CH2 4.49Å; V220-W359 HydrophobicContact CG2-CZ3 4.26Å; T357-W359 PolarHBondContact O-N 3.09Å; W359-A372 HydrophobicContact CB-CB 3.99Å; W359-A372 WeakPolarHBondContact CB-O 3.47Å; W359-A372 HydrophobicContact CG-CB 4.46Å; W359-A372 PolarHBondContact N-O 3.35Å; W359-A372 VanDerWaalsContact N-O 3.08Å; W359-L374 HydrophobicContact CE3-CB 4.07Å; W359-L374 HydrophobicContact CE3-CD2 4.06Å; W359-L374 HydrophobicContact CE3-CG 4.45Å; W359-L374 HydrophobicContact CZ3-CD2 4.07Å; W359-V386 HydrophobicContact CD2-CG2 4.35Å; W359-V386 VanDerWaalsContact CE2-CG2 3.44Å; W359-V386 HydrophobicContact CH2-CG2 4.11Å; W359-V386 HydrophobicContact CZ2-CB 3.66Å; W359-V386 HydrophobicContact CZ2-CG1 4.38Å; W359-V386 HydrophobicContact CZ2-CG2 3.22Å
360	M	80.3	Confident	78.6	Confident	20 Å²	20	65.3 Å²	65.3	10%	0.099	34%	0.339	C	S	.	.	S	Bend	trans	-126.5	160.2	173.5	-66.8	-176.8	-56.9	0	0	110.7	I205 L208 F212 I365	I205-M360 HydrophobicContact CD1-CE 4.06Å; I205-M360 HydrophobicContact CG2-CE 4.4Å; L208-M360 HydrophobicContact CD1-CE 3.14Å; L208-M360 HydrophobicContact CD1-SD 3.6Å; L208-M360 VanDerWaalsContact CD1-SD 3.6Å; F212-M360 HydrophobicContact CD1-SD 4.38Å; M360-I365 HydrophobicContact CE-CD1 4.05Å; M360-I365 HydrophobicContact CE-CG1 4.32Å
361	S	72.6	Confident	78.3	Confident	51 Å²	51	64.6 Å²	64.6	36%	0.357	34%	0.335	S	S	.	.			trans	-54.3	131.9	176.1	-177.7	0	0	0	0	109.9	H363 D364	S361-H363 PolarHBondContact O-N 3.06Å; S361-D364 WeakPolarHBondContact CB-OD2 3.36Å; S361-D364 PolarHBondContact O-N 3.36Å; S361-D364 VanDerWaalsContact O-N 3.1Å
362	P	62.1	Low	78.1	Confident	27 Å²	27	64.6 Å²	64.6	18%	0.175	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-56.5	-20.7	177.7	-24.6	33	0	0	0	113.7	F358 I371	F358-P362 HydrophobicContact CD1-CG 4.04Å; F358-P362 HydrophobicContact CD2-CG 4.46Å; F358-P362 HydrophobicContact CE1-CG 4.04Å; F358-P362 HydrophobicContact CE2-CG 4.48Å; F358-P362 HydrophobicContact CG-CG 4.24Å; F358-P362 HydrophobicContact CZ-CG 4.25Å; P362-I371 HydrophobicContact CB-CD1 4.4Å
363	H	60.1	Low	78.1	Confident	154 Å²	154	60.9 Å²	60.9	71%	0.713	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-81.6	-16.5	-177.5	-60.2	-59.2	0	0	0	114.1	S361 I365	S361-H363 PolarHBondContact O-N 3.06Å; H363-I365 VanDerWaalsContact C-N 3.33Å
364	D	60.2	Low	78.3	Confident	100 Å²	100	60.5 Å²	60.5	54%	0.535	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-86	-5.8	-174.9	-63.2	-25.6	0	0	0	112.8	S361	S361-D364 WeakPolarHBondContact CB-OD2 3.36Å; S361-D364 PolarHBondContact O-N 3.36Å; S361-D364 VanDerWaalsContact O-N 3.1Å
365	I	59.2	Low	78.3	Confident	24 Å²	24	60.5 Å²	60.5	12%	0.123	30%	0.298	C	S	.	.			trans	-111.6	73.6	-173.1	-50.4	176.6	0	0	0	109.8	M360 H363 R367 S368	M360-I365 HydrophobicContact CE-CD1 4.05Å; M360-I365 HydrophobicContact CE-CG1 4.32Å; H363-I365 VanDerWaalsContact C-N 3.33Å; I365-R367 VanDerWaalsContact C-N 3.3Å; I365-R367 PolarHBondContact O-N 2.86Å; I365-S368 WeakPolarHBondContact CG2-OG 3.28Å
366	N	49.5	Very low	78.3	Confident	159 Å²	159	60 Å²	60	85%	0.85	29%	0.294	S	S	*	.			trans	-85.6	12.4	-174.4	-160.3	14.5	0	0	0	114.6
367	R	57.9	Low	78.3	Confident	252 Å²	252	60.4 Å²	60.4	95%	0.951	30%	0.297	S	S	*	.	S	Bend	trans	-134.4	-15.2	-174.7	-79.4	-171.9	175.7	-178.1	-0.5	117.2	I365	I365-R367 VanDerWaalsContact C-N 3.3Å; I365-R367 PolarHBondContact O-N 2.86Å
368	S	61.7	Low	78.1	Confident	51 Å²	51	66.8 Å²	66.8	36%	0.357	32%	0.324	S	S	.	.			trans	-118	134.2	178.2	55.5	0	0	0	0	111.4	M225 I365 R370	M225-S368 VanDerWaalsContact CE-O 3.22Å; M225-S368 WeakPolarHBondContact CE-O 3.28Å; I365-S368 WeakPolarHBondContact CG2-OG 3.28Å; S368-R370 PolarHBondContact O-N 3.19Å; S368-R370 PolarHBondContact OG-O 3.12Å
369	N	76.7	Confident	77.9	Confident	128 Å²	128	67.4 Å²	67.4	68%	0.684	34%	0.338	S	S	*	.	S	Bend	trans	-71.1	25	176.3	-164	28.2	0	0	0	113.5	M225	M225-N369 WeakPolarHBondContact CG-OD1 3.3Å; M225-N369 PolarHBondContact N-O 3.1Å
370	R	84.9	Confident	78	Confident	155 Å²	155	67.1 Å²	67.1	59%	0.585	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.6	144.6	-174.5	-63.9	-175.3	-179.4	-172.6	-1.5	110.2	F222 V223 M225 S368	F222-R370 HydrophobicContact CB-CB 4.35Å; F222-R370 HydrophobicContact CD1-CB 4.03Å; V223-R370 CarbonylContact O-C 3.59Å; V223-R370 VanDerWaalsContact O-CA 3.25Å; V223-R370 WeakPolarHBondContact O-CA 3.38Å; M225-R370 WeakPolarHBondContact CE-O 3.06Å; S368-R370 PolarHBondContact O-N 3.19Å; S368-R370 PolarHBondContact OG-O 3.12Å
371	I	88.4	Confident	78.5	Confident	0 Å²	0	67 Å²	67	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	141.9	177.1	-61.5	168.5	0	0	0	109	F222 V223 M225 I228 F358 P362	F222-I371 WeakPolarHBondContact CA-O 3.4Å; V223-I371 PolarHBondContact N-O 2.95Å; V223-I371 PolarHBondContact O-N 2.82Å; M225-I371 HydrophobicContact CE-CB 4.45Å; M225-I371 HydrophobicContact CE-CD1 3.8Å; M225-I371 HydrophobicContact CE-CG1 3.16Å; M225-I371 HydrophobicContact CG-CG1 4.47Å; M225-I371 HydrophobicContact SD-CD1 3.28Å; M225-I371 WeakPolarHBondContact SD-CD1 3.48Å; M225-I371 HydrophobicContact SD-CG1 3.37Å; M225-I371 WeakPolarHBondContact SD-CG1 3.39Å; I228-I371 HydrophobicContact CD1-CD1 3.41Å; I228-I371 VanDerWaalsContact CD1-CD1 3.41Å; I228-I371 HydrophobicContact CG1-CD1 3.1Å; F358-I371 HydrophobicContact CD1-CG2 3.78Å; F358-I371 HydrophobicContact CE1-CD1 4.4Å; F358-I371 HydrophobicContact CE1-CG2 4.11Å; P362-I371 HydrophobicContact CB-CD1 4.4Å
372	A	91.3	Very high	79.5	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	125.7	169.6	0	0	0	0	0	110.7	I205 V220 T221 F222 W359	I205-A372 HydrophobicContact CD1-CB 3.77Å; V220-A372 HydrophobicContact CG1-CB 4.23Å; T221-A372 WeakPolarHBondContact O-CA 3.49Å; F222-A372 HydrophobicContact CD1-CB 4.38Å; F222-A372 HydrophobicContact CE1-CB 4.24Å; W359-A372 HydrophobicContact CB-CB 3.99Å; W359-A372 WeakPolarHBondContact CB-O 3.47Å; W359-A372 HydrophobicContact CG-CB 4.46Å; W359-A372 PolarHBondContact N-O 3.35Å; W359-A372 VanDerWaalsContact N-O 3.08Å
373	I	92.9	Very high	81.1	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	153.4	171.5	57.3	166.1	0	0	0	110.2	V220 T221 V223 I231 L317 I319 V356 T357 F358 L375	V220-I373 VanDerWaalsContact CA-O 3.29Å; V220-I373 WeakPolarHBondContact CA-O 3.43Å; V220-I373 WeakPolarHBondContact CG1-O 3.42Å; T221-I373 HydrophobicContact CG2-CD1 4.3Å; T221-I373 HydrophobicContact CG2-CG1 4.02Å; T221-I373 PolarHBondContact N-O 3.2Å; T221-I373 VanDerWaalsContact N-O 3.07Å; T221-I373 PolarHBondContact O-N 2.99Å; V223-I373 HydrophobicContact CG1-CD1 3.53Å; V223-I373 HydrophobicContact CG1-CG1 3.98Å; V223-I373 HydrophobicContact CG2-CD1 4.2Å; V223-I373 HydrophobicContact CG2-CG1 4.15Å; V223-I373 HydrophobicContact CG2-CG2 3.67Å; I231-I373 HydrophobicContact CD1-CG2 3.65Å; I231-I373 HydrophobicContact CG1-CG2 4.25Å; I231-I373 HydrophobicContact CG2-CG2 4.21Å; L317-I373 HydrophobicContact CD2-CD1 3.94Å; I319-I373 HydrophobicContact CD1-CD1 3.93Å; V356-I373 HydrophobicContact CG2-CB 4.09Å; V356-I373 HydrophobicContact CG2-CD1 3.99Å; V356-I373 HydrophobicContact CG2-CG2 4.41Å; T357-I373 WeakPolarHBondContact O-CA 3.49Å; F358-I373 HydrophobicContact CD1-CG2 4.42Å; I373-L375 HydrophobicContact CD1-CD2 4.38Å; I373-L375 HydrophobicContact CD1-CG 4.41Å
374	L	94.5	Very high	82.8	Confident	24 Å²	24	56 Å²	56	13%	0.126	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	123.4	172.3	173.1	66.6	0	0	0	109	V220 V356 T357 W359 T376	V220-L374 HydrophobicContact CG2-CB 4.37Å; V220-L374 HydrophobicContact CG2-CD1 3.6Å; V356-L374 WeakPolarHBondContact CA-O 3.46Å; T357-L374 PolarHBondContact N-O 3.25Å; T357-L374 PolarHBondContact O-N 3.33Å; W359-L374 HydrophobicContact CE3-CB 4.07Å; W359-L374 HydrophobicContact CE3-CD2 4.06Å; W359-L374 HydrophobicContact CE3-CG 4.45Å; W359-L374 HydrophobicContact CZ3-CD2 4.07Å; L374-T376 HydrophobicContact CD1-CG2 4.04Å; L374-T376 HydrophobicContact CD2-CG2 3.87Å; L374-T376 HydrophobicContact CG-CG2 3.72Å
375	L	94.8	Very high	84.6	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	126.4	171.1	-64.1	176.2	0	0	0	109.6	G218 Y219 F239 L296 L298 I319 F330 V354 S355 V356 I373	G218-L375 CarbonylContact C-O 3.59Å; G218-L375 VanDerWaalsContact CA-O 3.32Å; G218-L375 WeakPolarHBondContact CA-O 3.48Å; Y219-L375 HydrophobicContact CD1-CD1 4.1Å; Y219-L375 PolarHBondContact N-O 3.31Å; Y219-L375 PolarHBondContact O-N 2.96Å; F239-L375 HydrophobicContact CZ-CD2 4.46Å; L296-L375 HydrophobicContact CD1-CD1 4.45Å; L296-L375 HydrophobicContact CD2-CD1 4.03Å; L296-L375 HydrophobicContact CD2-CD2 4.22Å; L298-L375 HydrophobicContact CD2-CD1 4.05Å; I319-L375 HydrophobicContact CD1-CD1 3.65Å; F330-L375 HydrophobicContact CE1-CB 4.47Å; F330-L375 HydrophobicContact CZ-CB 3.75Å; V354-L375 HydrophobicContact CG1-CD2 4.41Å; S355-L375 WeakPolarHBondContact O-CA 3.26Å; V356-L375 HydrophobicContact CB-CD2 3.74Å; V356-L375 HydrophobicContact CG2-CD2 3.68Å; I373-L375 HydrophobicContact CD1-CD2 4.38Å; I373-L375 HydrophobicContact CD1-CG 4.41Å
376	T	93.9	Very high	86.3	Confident	24 Å²	24	50.1 Å²	50.1	15%	0.147	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	152.9	176.8	71.2	0	0	0	0	110.9	V354 S355 L374	V354-T376 CarbonylContact C-O 3.54Å; V354-T376 WeakPolarHBondContact CA-O 3.27Å; S355-T376 PolarHBondContact N-O 2.94Å; S355-T376 PolarHBondContact O-N 2.9Å; S355-T376 PolarHBondContact OG-O 3.13Å; S355-T376 PolarHBondContact OG-OG1 2.98Å; L374-T376 HydrophobicContact CD1-CG2 4.04Å; L374-T376 HydrophobicContact CD2-CG2 3.87Å; L374-T376 HydrophobicContact CG-CG2 3.72Å
377	A	92.8	Very high	88.5	Confident	10 Å²	10	42.6 Å²	42.6	8%	0.083	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	152.6	171.3	0	0	0	0	0	108.5	F330 A333 T334 V354 G379 I380	F330-A377 HydrophobicContact CD1-CB 4.37Å; F330-A377 HydrophobicContact CE1-CB 4.22Å; A333-A377 HydrophobicContact CB-CB 4Å; T334-A377 HydrophobicContact CG2-CB 3.9Å; V354-A377 HydrophobicContact CG2-CB 4.44Å; A377-G379 PolarHBondContact O-N 3.28Å; A377-I380 HydrophobicContact CB-CB 4.35Å; A377-I380 WeakPolarHBondContact O-CB 3.28Å; A377-I380 VanDerWaalsContact O-CG2 3.23Å; A377-I380 WeakPolarHBondContact O-CG2 3.35Å; A377-I380 PolarHBondContact O-N 3.41Å; A377-I380 VanDerWaalsContact O-N 3.14Å
378	E	89	Confident	90.1	Very high	180 Å²	180	30.6 Å²	30.6	84%	0.841	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	131.4	174.8	-171.7	176.9	176.4	0	0	109.9	I380	E378-I380 PolarHBondContact O-N 3.31Å
379	G	85.6	Confident	91.6	Very high	41 Å²	41	28.2 Å²	28.2	42%	0.423	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.5	12	-178.4	0	0	0	0	0	115.2	Q185 A377 N381	Q185-G379 VanDerWaalsContact NE2-C 3.3Å; Q185-G379 VanDerWaalsContact NE2-CA 3.27Å; Q185-G379 PolarHBondContact NE2-O 3.17Å; A377-G379 PolarHBondContact O-N 3.28Å; G379-N381 PolarHBondContact O-N 2.91Å
380	I	90.2	Very high	92.2	Very high	10 Å²	10	26 Å²	26	5%	0.051	14%	0.138	C	C	.	.			trans	-64.7	120.3	174.3	-161.7	169.4	0	0	0	110.7	A329 F330 A333 A377 E378 L382	A329-I380 HydrophobicContact CB-CG1 4.47Å; F330-I380 HydrophobicContact CD1-CD1 4.14Å; F330-I380 HydrophobicContact CD2-CD1 4.2Å; F330-I380 HydrophobicContact CE1-CD1 3.77Å; F330-I380 HydrophobicContact CE2-CD1 3.84Å; F330-I380 HydrophobicContact CG-CD1 4.33Å; F330-I380 HydrophobicContact CZ-CD1 3.6Å; A333-I380 HydrophobicContact CB-CB 4.05Å; A333-I380 HydrophobicContact CB-CG1 4.33Å; A377-I380 HydrophobicContact CB-CB 4.35Å; A377-I380 WeakPolarHBondContact O-CB 3.28Å; A377-I380 VanDerWaalsContact O-CG2 3.23Å; A377-I380 WeakPolarHBondContact O-CG2 3.35Å; A377-I380 PolarHBondContact O-N 3.41Å; A377-I380 VanDerWaalsContact O-N 3.14Å; E378-I380 PolarHBondContact O-N 3.31Å; I380-L382 HydrophobicContact CD1-CB 4.03Å; I380-L382 HydrophobicContact CD1-CD2 4.33Å; I380-L382 HydrophobicContact CG1-CB 3.82Å
381	N	89.6	Confident	92.4	Very high	16 Å²	16	20.4 Å²	20.4	9%	0.086	13%	0.125	C	C	.	.			trans	-103.6	69.7	172.3	178.1	18	0	0	0	108.2	R199 G379	R199-N381 WeakPolarHBondContact CD-ND2 3.26Å; R199-N381 VanDerWaalsContact CD-O 3.26Å; R199-N381 WeakPolarHBondContact CD-O 3.28Å; R199-N381 VanDerWaalsContact NH1-CB 3.3Å; R199-N381 PolarHBondContact NH1-ND2 3.19Å; R199-N381 PolarHBondContact NH1-O 3.45Å; G379-N381 PolarHBondContact O-N 2.91Å
382	L	93.7	Very high	92.4	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	15%	0.152	C	C	.	.			trans	-141.7	136.5	175.8	-173.2	74	0	0	0	108.1	R199 L201 G218 Y219 V326 A329 I380	R199-L382 WeakPolarHBondContact O-CD1 3.38Å; L201-L382 HydrophobicContact CD1-CD1 3.82Å; L201-L382 HydrophobicContact CD1-CD2 4.02Å; L201-L382 HydrophobicContact CD1-CG 4.17Å; L201-L382 HydrophobicContact CG-CD1 4.22Å; G218-L382 PolarHBondContact N-O 3.47Å; Y219-L382 HydrophobicContact CD2-CD2 4.49Å; Y219-L382 HydrophobicContact CG-CD2 4.46Å; V326-L382 HydrophobicContact CB-CD2 4.47Å; V326-L382 HydrophobicContact CG1-CD2 4.21Å; V326-L382 HydrophobicContact CG2-CD2 4.23Å; A329-L382 HydrophobicContact CB-CB 3.92Å; A329-L382 HydrophobicContact CB-CD1 4.14Å; A329-L382 HydrophobicContact CB-CD2 4.36Å; A329-L382 HydrophobicContact CB-CG 4.38Å; I380-L382 HydrophobicContact CD1-CB 4.03Å; I380-L382 HydrophobicContact CD1-CD2 4.33Å; I380-L382 HydrophobicContact CG1-CB 3.82Å
383	I	95.4	Very high	92.3	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	134.3	-178.5	-63.3	170.2	0	0	0	108.6	A174 L177 Q178 R199 L200 L201 V215 G216 L217	A174-I383 HydrophobicContact CB-CG2 4.35Å; A174-I383 WeakPolarHBondContact O-CD1 3.27Å; L177-I383 HydrophobicContact CB-CD1 3.9Å; L177-I383 HydrophobicContact CB-CG1 4.45Å; Q178-I383 HydrophobicContact CB-CD1 3.62Å; Q178-I383 HydrophobicContact CG-CD1 4.27Å; R199-I383 PolarHBondContact O-N 2.88Å; L200-I383 CarbonylContact C-O 3.56Å; L200-I383 WeakPolarHBondContact CA-O 3.39Å; L200-I383 HydrophobicContact CD1-CB 4.04Å; L200-I383 HydrophobicContact CD1-CG2 3.65Å; L201-I383 PolarHBondContact N-O 3.2Å; V215-I383 HydrophobicContact CG1-CG2 3.23Å; G216-I383 WeakPolarHBondContact O-CA 3.44Å; L217-I383 HydrophobicContact CD2-CG1 3.94Å
384	T	96.8	Very high	92.3	Very high	2 Å²	2	34 Å²	34	1%	0.012	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	123.4	171	-53.1	0	0	0	0	110.3	L201 C203 G216 G218 Y219 V220 V386	L201-T384 HydrophobicContact CB-CG2 4.43Å; L201-T384 CarbonylContact O-C 3.59Å; L201-T384 WeakPolarHBondContact O-CA 3.27Å; C203-T384 HydrophobicContact CB-CG2 3.8Å; G216-T384 PolarHBondContact N-O 3.46Å; G216-T384 PolarHBondContact O-N 3.34Å; G218-T384 PolarHBondContact O-N 3.04Å; G218-T384 PolarHBondContact O-OG1 2.99Å; Y219-T384 WeakPolarHBondContact CA-OG1 3.38Å; V220-T384 HydrophobicContact CB-CG2 3.77Å; V220-T384 HydrophobicContact CG2-CG2 4.12Å; V220-T384 PolarHBondContact N-OG1 3.29Å; T384-V386 HydrophobicContact CG2-CG2 4.35Å
385	A	97.1	Very high	92.1	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	111.2	166.8	0	0	0	0	0	109.2	L200 L201 T202 C203 V215 F402	L200-A385 HydrophobicContact CD1-CB 4.39Å; L201-A385 PolarHBondContact O-N 2.83Å; T202-A385 CarbonylContact C-O 3.59Å; T202-A385 WeakPolarHBondContact CA-O 3.48Å; C203-A385 PolarHBondContact N-O 3.34Å; V215-A385 HydrophobicContact CG2-CB 3.94Å; A385-F402 HydrophobicContact CB-CE1 3.71Å; A385-F402 HydrophobicContact CB-CE2 3.86Å; A385-F402 HydrophobicContact CB-CZ 3.3Å
386	V	95.8	Very high	92	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	119.2	174.9	-175.8	0	0	0	0	108.8	C203 I205 S213 R214 V220 W359 T384	C203-V386 HydrophobicContact CB-CG2 4.23Å; C203-V386 CarbonylContact O-C 3.52Å; C203-V386 VanDerWaalsContact O-CA 3.3Å; C203-V386 WeakPolarHBondContact O-CA 3.49Å; I205-V386 HydrophobicContact CD1-CG1 3.4Å; I205-V386 VanDerWaalsContact CD1-CG1 3.4Å; I205-V386 HydrophobicContact CG1-CG1 3.73Å; S213-V386 CarbonylContact C-O 3.59Å; S213-V386 WeakPolarHBondContact CA-O 3.45Å; S213-V386 WeakPolarHBondContact CB-O 3.49Å; R214-V386 PolarHBondContact N-O 3Å; R214-V386 PolarHBondContact O-N 3.27Å; V220-V386 HydrophobicContact CB-CG2 3.94Å; V220-V386 HydrophobicContact CG1-CG2 3.88Å; V220-V386 HydrophobicContact CG2-CG2 3.82Å; W359-V386 HydrophobicContact CD2-CG2 4.35Å; W359-V386 VanDerWaalsContact CE2-CG2 3.44Å; W359-V386 HydrophobicContact CH2-CG2 4.11Å; W359-V386 HydrophobicContact CZ2-CB 3.66Å; W359-V386 HydrophobicContact CZ2-CG1 4.38Å; W359-V386 HydrophobicContact CZ2-CG2 3.22Å; T384-V386 HydrophobicContact CG2-CG2 4.35Å
387	L	95.4	Very high	92	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	127.7	-176.9	-54.9	-178.1	0	0	0	109.3	L170 T202 C203 C204 I205 M395 K398 E399 F402	L170-L387 HydrophobicContact CD1-CD2 3.85Å; T202-L387 HydrophobicContact CG2-CD1 4.05Å; C203-L387 PolarHBondContact O-N 3.33Å; C204-L387 CarbonylContact C-O 3.55Å; C204-L387 WeakPolarHBondContact CA-O 3.32Å; I205-L387 PolarHBondContact N-O 3.17Å; L387-M395 HydrophobicContact CB-SD 4.49Å; L387-K398 HydrophobicContact CB-CD 4.43Å; L387-E399 HydrophobicContact CD1-CB 4.02Å; L387-E399 HydrophobicContact CD1-CG 4.33Å; L387-F402 HydrophobicContact CD1-CB 3.96Å; L387-F402 HydrophobicContact CD1-CD1 4.26Å; L387-F402 HydrophobicContact CD1-CG 4.2Å; L387-F402 HydrophobicContact CD2-CB 4.29Å; L387-F402 HydrophobicContact CD2-CD2 4.27Å; L387-F402 HydrophobicContact CD2-CG 4.14Å
388	T	92.7	Very high	92.1	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.006	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	139	-178.3	59.1	0	0	0	0	110.7	I205 L208 P209 E210 F212 S213 K398	I205-T388 HydrophobicContact CB-CG2 4.28Å; I205-T388 WeakPolarHBondContact O-CA 3.49Å; L208-T388 HydrophobicContact CB-CG2 4.07Å; L208-T388 HydrophobicContact CD1-CG2 4.29Å; P209-T388 WeakPolarHBondContact O-CB 3.46Å; P209-T388 PolarHBondContact O-OG1 3.04Å; E210-T388 WeakPolarHBondContact CA-O 3.45Å; E210-T388 WeakPolarHBondContact CA-OG1 3.36Å; F212-T388 HydrophobicContact CB-CG2 3.9Å; S213-T388 PolarHBondContact N-OG1 3.35Å; S213-T388 PolarHBondContact OG-N 2.91Å; S213-T388 PolarHBondContact OG-O 3.07Å; S213-T388 PolarHBondContact OG-OG1 3.29Å; T388-K398 VanDerWaalsContact O-CD 3.27Å; T388-K398 WeakPolarHBondContact O-CD 3.07Å; T388-K398 WeakPolarHBondContact O-CE 3.37Å
389	S	91.6	Very high	92.4	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	139.1	172	178.9	0	0	0	0	110.2	P206 G207 L208 A391	P206-S389 CarbonylContact C-O 2.92Å; G207-S389 PolarHBondContact N-O 3.2Å; L208-S389 PolarHBondContact N-O 3.42Å; L208-S389 CarbonylContact O-C 3.58Å; L208-S389 VanDerWaalsContact O-CA 3.28Å; L208-S389 WeakPolarHBondContact O-CA 3.25Å; L208-S389 PolarHBondContact O-N 2.96Å; S389-A391 PolarHBondContact O-N 2.81Å; S389-A391 PolarHBondContact OG-N 3.32Å; S389-A391 PolarHBondContact OG-O 2.94Å
390	P	89.4	Confident	92.9	Very high	82 Å²	82	40.3 Å²	40.3	53%	0.532	24%	0.237	S	C	.	.	S	Bend	trans	-64.9	-24.9	177.4	26.4	-34.9	0	0	0	112.1	L208	L208-P390 WeakPolarHBondContact O-CD 3.49Å
391	A	89.5	Confident	93.2	Very high	37 Å²	37	45.7 Å²	45.7	31%	0.306	26%	0.257	S	S	.	.			trans	-111	114.9	-179.9	0	0	0	0	0	110.6	S389 A393 Q394	S389-A391 PolarHBondContact O-N 2.81Å; S389-A391 PolarHBondContact OG-N 3.32Å; S389-A391 PolarHBondContact OG-O 2.94Å; A391-A393 PolarHBondContact O-N 3.2Å; A391-A393 VanDerWaalsContact O-N 3.12Å; A391-Q394 HydrophobicContact CB-CB 4.39Å; A391-Q394 HydrophobicContact CB-CG 4.07Å; A391-Q394 PolarHBondContact O-N 2.88Å
392	S	87.9	Confident	93.5	Very high	83 Å²	83	45 Å²	45	58%	0.58	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-55.6	-32.8	177.4	-49.2	0	0	0	0	112.8	P206 Q394 M395	P206-S392 WeakPolarHBondContact CB-OG 3.44Å; S392-Q394 PolarHBondContact O-N 3.18Å; S392-M395 VanDerWaalsContact O-CB 3.28Å; S392-M395 WeakPolarHBondContact O-CB 2.93Å; S392-M395 PolarHBondContact O-N 2.95Å
393	A	90.6	Very high	93.7	Very high	95 Å²	95	47.3 Å²	47.3	79%	0.785	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-65.7	-19.9	178.1	0	0	0	0	0	113.9	A391	A391-A393 PolarHBondContact O-N 3.2Å; A391-A393 VanDerWaalsContact O-N 3.12Å
394	Q	91.3	Very high	93.7	Very high	107 Å²	107	49.6 Å²	49.6	50%	0.5	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-94.4	-4.2	178	-65.9	179.9	-9	0	0	112.6	A391 S392 T397 K398	A391-Q394 HydrophobicContact CB-CB 4.39Å; A391-Q394 HydrophobicContact CB-CG 4.07Å; A391-Q394 PolarHBondContact O-N 2.88Å; S392-Q394 PolarHBondContact O-N 3.18Å; Q394-T397 PolarHBondContact O-N 3.11Å; Q394-K398 WeakPolarHBondContact O-CB 3.49Å; Q394-K398 PolarHBondContact O-N 3.16Å
395	M	91.3	Very high	93.7	Very high	17 Å²	17	49.5 Å²	49.5	8%	0.084	28%	0.277	C	S	.	.	H	α-helix	trans	-65.5	-44.5	-171.5	-169.5	61.2	70	0	0	112.5	C204 I205 P206 L387 S392 K398 E399	C204-M395 HydrophobicContact CB-CG 3.52Å; C204-M395 HydrophobicContact CB-SD 3.65Å; I205-M395 VanDerWaalsContact O-CE 3.3Å; I205-M395 WeakPolarHBondContact O-CE 3.47Å; P206-M395 VanDerWaalsContact CA-CE 3.43Å; P206-M395 HydrophobicContact CB-CE 3.96Å; L387-M395 HydrophobicContact CB-SD 4.49Å; S392-M395 VanDerWaalsContact O-CB 3.28Å; S392-M395 WeakPolarHBondContact O-CB 2.93Å; S392-M395 PolarHBondContact O-N 2.95Å; M395-K398 WeakPolarHBondContact O-CB 3.34Å; M395-K398 PolarHBondContact O-N 3.15Å; M395-E399 PolarHBondContact O-N 2.79Å
396	E	93.6	Very high	93.7	Very high	146 Å²	146	49.5 Å²	49.5	68%	0.682	28%	0.277	S	S	*	.	H	α-helix	trans	-62.2	-47.8	178.4	-174.4	174.8	-169.4	0	0	110.9	K398 E399 D400	E396-K398 VanDerWaalsContact C-N 3.26Å; E396-K398 PolarHBondContact O-N 3.32Å; E396-E399 WeakPolarHBondContact O-CB 3.25Å; E396-E399 PolarHBondContact O-N 3.24Å; E396-E399 VanDerWaalsContact O-N 3.12Å; E396-D400 PolarHBondContact O-N 3Å
397	T	93.7	Very high	93.7	Very high	82 Å²	82	54.9 Å²	54.9	50%	0.503	30%	0.298	S	S	.	.	H	α-helix	trans	-62.3	-34.4	176	-51.9	0	0	0	0	112.3	Q394 R401	Q394-T397 PolarHBondContact O-N 3.11Å; T397-R401 VanDerWaalsContact O-CB 3.27Å; T397-R401 WeakPolarHBondContact O-CB 3.46Å; T397-R401 WeakPolarHBondContact O-CG 3.42Å; T397-R401 PolarHBondContact O-N 3.35Å
398	K	93.8	Very high	93.7	Very high	16 Å²	16	57.9 Å²	57.9	7%	0.07	31%	0.309	C	S	.	.	H	α-helix	trans	-67.5	-41.5	175.4	-172.4	179.3	-174.7	75.1	0	111.4	E210 S213 L387 T388 Q394 M395 E396 R401 F402	E210-K398 IonicContact OE1-NZ 2.93Å; E210-K398 PolarHBondContact OE1-NZ 3.37Å; E210-K398 IonicContact OE2-NZ 3.51Å; E210-K398 PolarHBondContact OE2-NZ 3.46Å; S213-K398 WeakPolarHBondContact OG-CE 3.35Å; L387-K398 HydrophobicContact CB-CD 4.43Å; T388-K398 VanDerWaalsContact O-CD 3.27Å; T388-K398 WeakPolarHBondContact O-CD 3.07Å; T388-K398 WeakPolarHBondContact O-CE 3.37Å; Q394-K398 WeakPolarHBondContact O-CB 3.49Å; Q394-K398 PolarHBondContact O-N 3.16Å; M395-K398 WeakPolarHBondContact O-CB 3.34Å; M395-K398 PolarHBondContact O-N 3.15Å; E396-K398 VanDerWaalsContact C-N 3.26Å; E396-K398 PolarHBondContact O-N 3.32Å; K398-R401 PolarHBondContact O-N 2.98Å; K398-F402 PolarHBondContact O-N 2.89Å
399	E	96.1	Very high	93.8	Very high	54 Å²	54	57.8 Å²	57.8	25%	0.252	31%	0.309	S	S	.	.	H	α-helix	trans	-62.8	-46.2	174.4	-179.4	163.2	-155.7	0	0	111.6	T202 C204 L387 M395 E396 R401 F402 W403	T202-E399 VanDerWaalsContact CB-OE1 3.29Å; T202-E399 WeakPolarHBondContact CB-OE1 3.38Å; T202-E399 HydrophobicContact CG2-CG 4.4Å; T202-E399 PolarHBondContact OG1-OE1 2.84Å; C204-E399 PolarHBondContact SG-OE2 3.32Å; L387-E399 HydrophobicContact CD1-CB 4.02Å; L387-E399 HydrophobicContact CD1-CG 4.33Å; M395-E399 PolarHBondContact O-N 2.79Å; E396-E399 WeakPolarHBondContact O-CB 3.25Å; E396-E399 PolarHBondContact O-N 3.24Å; E396-E399 VanDerWaalsContact O-N 3.12Å; E399-R401 VanDerWaalsContact C-N 3.33Å; E399-R401 PolarHBondContact O-N 3Å; E399-F402 WeakPolarHBondContact O-CB 3.13Å; E399-F402 PolarHBondContact O-N 3.08Å; E399-W403 VanDerWaalsContact O-CD1 3.23Å; E399-W403 PolarHBondContact O-N 2.93Å
400	D	96.1	Very high	94	Very high	97 Å²	97	60.1 Å²	60.1	52%	0.519	32%	0.318	S	S	.	.	H	α-helix	trans	-60.1	-42.2	175.8	-72	-24.2	0	0	0	112.4	E396 W403 S404	E396-D400 PolarHBondContact O-N 3Å; D400-W403 PolarHBondContact O-N 3.07Å; D400-S404 VanDerWaalsContact O-CB 3.32Å; D400-S404 WeakPolarHBondContact O-CB 3.36Å; D400-S404 PolarHBondContact O-N 2.98Å
401	R	95.5	Very high	94.2	Very high	123 Å²	123	58.3 Å²	58.3	46%	0.464	30%	0.302	S	S	.	.	H	α-helix	trans	-62.9	-43.2	176.7	-84.2	178.3	70.3	162.1	2	112.4	D164 T397 K398 E399 S404 C405	D164-R401 IonicContact OD1-CZ 3.09Å; D164-R401 IonicContact OD1-NE 3.19Å; D164-R401 IonicContact OD1-NH2 2.77Å; D164-R401 PolarHBondContact OD1-NH2 3.12Å; D164-R401 VanDerWaalsContact OD2-CB 3.32Å; D164-R401 WeakPolarHBondContact OD2-CB 3.43Å; D164-R401 IonicContact OD2-CZ 3.54Å; D164-R401 IonicContact OD2-NE 3.26Å; D164-R401 PolarHBondContact OD2-NE 2.91Å; D164-R401 IonicContact OD2-NH2 3.4Å; D164-R401 PolarHBondContact OD2-NH2 3.48Å; T397-R401 VanDerWaalsContact O-CB 3.27Å; T397-R401 WeakPolarHBondContact O-CB 3.46Å; T397-R401 WeakPolarHBondContact O-CG 3.42Å; T397-R401 PolarHBondContact O-N 3.35Å; K398-R401 PolarHBondContact O-N 2.98Å; E399-R401 VanDerWaalsContact C-N 3.33Å; E399-R401 PolarHBondContact O-N 3Å; R401-S404 PolarHBondContact O-N 3.46Å; R401-C405 PolarHBondContact O-N 3.31Å; R401-C405 VanDerWaalsContact O-N 3.16Å; R401-C405 PolarHBondContact O-SG 3.45Å; R401-C405 VanDerWaalsContact O-SG 3.32Å
402	F	96.9	Very high	94.4	Very high	1 Å²	1	56.5 Å²	56.5	0%	0.004	29%	0.288	C	S	.	.	H	α-helix	trans	-59.6	-52.1	172.3	171.4	-102.2	0	0	0	111.2	L170 A171 L200 T202 A385 L387 K398 E399 S404 C405 V406	L170-F402 HydrophobicContact CB-CD2 3.96Å; L170-F402 HydrophobicContact CB-CE2 3.78Å; A171-F402 HydrophobicContact CB-CE2 4.42Å; L200-F402 HydrophobicContact CD1-CZ 4.37Å; L200-F402 HydrophobicContact CD2-CE1 4.16Å; L200-F402 HydrophobicContact CD2-CZ 3.94Å; L200-F402 HydrophobicContact CG-CZ 4.46Å; T202-F402 HydrophobicContact CG2-CD1 3.62Å; T202-F402 HydrophobicContact CG2-CE1 3.62Å; A385-F402 HydrophobicContact CB-CE1 3.71Å; A385-F402 HydrophobicContact CB-CE2 3.86Å; A385-F402 HydrophobicContact CB-CZ 3.3Å; L387-F402 HydrophobicContact CD1-CB 3.96Å; L387-F402 HydrophobicContact CD1-CD1 4.26Å; L387-F402 HydrophobicContact CD1-CG 4.2Å; L387-F402 HydrophobicContact CD2-CB 4.29Å; L387-F402 HydrophobicContact CD2-CD2 4.27Å; L387-F402 HydrophobicContact CD2-CG 4.14Å; K398-F402 PolarHBondContact O-N 2.89Å; E399-F402 WeakPolarHBondContact O-CB 3.13Å; E399-F402 PolarHBondContact O-N 3.08Å; F402-S404 VanDerWaalsContact C-N 3.32Å; F402-S404 PolarHBondContact O-N 2.92Å; F402-C405 WeakPolarHBondContact O-CB 3.33Å; F402-C405 PolarHBondContact O-N 3.39Å; F402-C405 VanDerWaalsContact O-N 3.11Å; F402-V406 HydrophobicContact CD1-CG2 4.18Å; F402-V406 HydrophobicContact CD2-CG2 4.3Å; F402-V406 HydrophobicContact CE1-CG2 3.72Å; F402-V406 HydrophobicContact CE2-CG2 3.85Å; F402-V406 HydrophobicContact CG-CG2 4.46Å; F402-V406 HydrophobicContact CZ-CG2 3.54Å; F402-V406 WeakPolarHBondContact O-CG2 3.45Å; F402-V406 PolarHBondContact O-N 3.28Å
403	W	97.4	Very high	94.6	Very high	49 Å²	49	53.5 Å²	53.5	19%	0.186	27%	0.265	C	S	.	.	H	α-helix	trans	-61.4	-38.7	179.1	-79.8	116.8	0	0	0	112.6	I197 L200 T202 E399 D400 C405 V406 Y407	I197-W403 HydrophobicContact CG2-CH2 4.12Å; I197-W403 HydrophobicContact CG2-CZ3 3.5Å; L200-W403 HydrophobicContact CB-CH2 4.42Å; L200-W403 HydrophobicContact CD2-CH2 4.4Å; L200-W403 HydrophobicContact CD2-CZ3 4.25Å; L200-W403 HydrophobicContact CG-CH2 4.2Å; L200-W403 WeakPolarHBondContact O-CH2 3.34Å; T202-W403 HydrophobicContact CG2-CZ2 3.88Å; E399-W403 VanDerWaalsContact O-CD1 3.23Å; E399-W403 PolarHBondContact O-N 2.93Å; D400-W403 PolarHBondContact O-N 3.07Å; W403-C405 VanDerWaalsContact C-N 3.32Å; W403-C405 PolarHBondContact O-N 2.68Å; W403-V406 HydrophobicContact CE3-CB 4.11Å; W403-V406 HydrophobicContact CE3-CG1 3.9Å; W403-V406 HydrophobicContact CZ3-CG1 3.86Å; W403-V406 WeakPolarHBondContact O-CB 3.32Å; W403-V406 PolarHBondContact O-N 2.78Å; W403-Y407 HydrophobicContact CB-CD2 4.38Å; W403-Y407 HydrophobicContact CB-CE2 4.4Å; W403-Y407 HydrophobicContact CE3-CD2 4.37Å; W403-Y407 AromaticContact CE3-CE2 3.89Å; W403-Y407 HydrophobicContact CE3-CE2 3.89Å; W403-Y407 WeakPolarHBondContact O-CD2 3.46Å; W403-Y407 PolarHBondContact O-N 2.95Å
404	S	96	Very high	94.6	Very high	48 Å²	48	54.4 Å²	54.4	34%	0.336	25%	0.251	S	S	.	.	H	α-helix	trans	-57	-44.9	174	-167.3	0	0	0	0	111.6	D400 R401 F402 R408	D400-S404 VanDerWaalsContact O-CB 3.32Å; D400-S404 WeakPolarHBondContact O-CB 3.36Å; D400-S404 PolarHBondContact O-N 2.98Å; R401-S404 PolarHBondContact O-N 3.46Å; F402-S404 VanDerWaalsContact C-N 3.32Å; F402-S404 PolarHBondContact O-N 2.92Å; S404-R408 VanDerWaalsContact O-CG 3.25Å; S404-R408 WeakPolarHBondContact O-CG 3.5Å; S404-R408 PolarHBondContact O-N 3.12Å; S404-R408 PolarHBondContact OG-NH2 3.18Å
405	C	96.7	Very high	94.6	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.007	24%	0.236	C	C	.	.	H	α-helix	trans	-65.5	-42.6	175.9	-65.4	0	0	0	0	112.4	M168 A171 R401 F402 W403 R408 L409	M168-C405 HydrophobicContact CB-CB 4.41Å; M168-C405 HydrophobicContact CE-CB 3.74Å; M168-C405 HydrophobicContact SD-CB 4.23Å; A171-C405 HydrophobicContact CB-CB 4.03Å; R401-C405 PolarHBondContact O-N 3.31Å; R401-C405 VanDerWaalsContact O-N 3.16Å; R401-C405 PolarHBondContact O-SG 3.45Å; R401-C405 VanDerWaalsContact O-SG 3.32Å; F402-C405 WeakPolarHBondContact O-CB 3.33Å; F402-C405 PolarHBondContact O-N 3.39Å; F402-C405 VanDerWaalsContact O-N 3.11Å; W403-C405 VanDerWaalsContact C-N 3.32Å; W403-C405 PolarHBondContact O-N 2.68Å; C405-R408 PolarHBondContact O-N 2.8Å; C405-L409 PolarHBondContact O-N 2.97Å; C405-L409 VanDerWaalsContact O-N 3.07Å
406	V	96.9	Very high	94.6	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-59.6	-49	176.7	168.8	0	0	0	0	111	A171 F195 I197 L200 F402 W403 R408 L409 Y410	A171-V406 HydrophobicContact CB-CG2 3.75Å; F195-V406 HydrophobicContact CE1-CG1 3.78Å; F195-V406 HydrophobicContact CZ-CG1 4.02Å; I197-V406 HydrophobicContact CG1-CG1 4.28Å; I197-V406 HydrophobicContact CG2-CG1 4.43Å; L200-V406 HydrophobicContact CD2-CB 4.46Å; L200-V406 HydrophobicContact CD2-CG1 3.75Å; L200-V406 HydrophobicContact CD2-CG2 3.78Å; F402-V406 HydrophobicContact CD1-CG2 4.18Å; F402-V406 HydrophobicContact CD2-CG2 4.3Å; F402-V406 HydrophobicContact CE1-CG2 3.72Å; F402-V406 HydrophobicContact CE2-CG2 3.85Å; F402-V406 HydrophobicContact CG-CG2 4.46Å; F402-V406 HydrophobicContact CZ-CG2 3.54Å; F402-V406 WeakPolarHBondContact O-CG2 3.45Å; F402-V406 PolarHBondContact O-N 3.28Å; W403-V406 HydrophobicContact CE3-CB 4.11Å; W403-V406 HydrophobicContact CE3-CG1 3.9Å; W403-V406 HydrophobicContact CZ3-CG1 3.86Å; W403-V406 WeakPolarHBondContact O-CB 3.32Å; W403-V406 PolarHBondContact O-N 2.78Å; V406-R408 VanDerWaalsContact C-N 3.34Å; V406-R408 PolarHBondContact O-N 3.49Å; V406-L409 PolarHBondContact O-N 3.2Å; V406-Y410 WeakPolarHBondContact O-CB 3.5Å; V406-Y410 PolarHBondContact O-N 3.02Å
407	Y	96.3	Very high	94.6	Very high	113 Å²	113	52.1 Å²	52.1	44%	0.443	24%	0.239	S	C	.	.	H	α-helix	trans	-66.1	-35.7	179.6	-80.9	-68.9	0	0	0	112.2	I197 W403 Y410 H411	I197-Y407 HydrophobicContact CD1-CD1 3.76Å; I197-Y407 HydrophobicContact CD1-CE1 3.63Å; W403-Y407 HydrophobicContact CB-CD2 4.38Å; W403-Y407 HydrophobicContact CB-CE2 4.4Å; W403-Y407 HydrophobicContact CE3-CD2 4.37Å; W403-Y407 AromaticContact CE3-CE2 3.89Å; W403-Y407 HydrophobicContact CE3-CE2 3.89Å; W403-Y407 WeakPolarHBondContact O-CD2 3.46Å; W403-Y407 PolarHBondContact O-N 2.95Å; Y407-Y410 PolarHBondContact O-N 3.08Å; Y407-H411 PolarHBondContact O-CD2 3.4Å; Y407-H411 VanDerWaalsContact O-CD2 3.24Å; Y407-H411 PolarHBondContact O-N 3.18Å
408	R	95.3	Very high	94.6	Very high	63 Å²	63	48.2 Å²	48.2	24%	0.238	22%	0.215	C	C	.	.	H	α-helix	trans	-60	-48.4	173.2	-73.9	171.6	-167.8	152.7	0.9	111.7	L160 H162 S404 C405 V406 A412 T548	L160-R408 HydrophobicContact CB-CB 4.47Å; L160-R408 WeakPolarHBondContact O-CD 3.17Å; H162-R408 PolarHBondContact CD2-NE 3.46Å; H162-R408 PolarHBondContact CD2-NH1 3.4Å; S404-R408 VanDerWaalsContact O-CG 3.25Å; S404-R408 WeakPolarHBondContact O-CG 3.5Å; S404-R408 PolarHBondContact O-N 3.12Å; S404-R408 PolarHBondContact OG-NH2 3.18Å; C405-R408 PolarHBondContact O-N 2.8Å; V406-R408 VanDerWaalsContact C-N 3.34Å; V406-R408 PolarHBondContact O-N 3.49Å; R408-A412 WeakPolarHBondContact O-CB 3.27Å; R408-A412 PolarHBondContact O-N 3.07Å; R408-T548 HydrophobicContact CB-CG2 4.24Å; R408-T548 HydrophobicContact CG-CG2 4.47Å; R408-T548 VanDerWaalsContact O-CG2 3.25Å; R408-T548 WeakPolarHBondContact O-CG2 3.47Å
409	L	94.9	Very high	94.6	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-63.3	-43.1	175.9	-76.6	177.5	0	0	0	111.9	F153 A157 L160 M168 A171 V175 C405 V406 H411 A412 L413	F153-L409 HydrophobicContact CE2-CD2 4.07Å; F153-L409 HydrophobicContact CZ-CD1 4.48Å; F153-L409 HydrophobicContact CZ-CD2 4.48Å; A157-L409 HydrophobicContact CB-CD2 4.38Å; L160-L409 HydrophobicContact CD1-CD2 4.09Å; M168-L409 HydrophobicContact CE-CG 4.21Å; M168-L409 HydrophobicContact SD-CD1 3.58Å; M168-L409 VanDerWaalsContact SD-CD1 3.58Å; M168-L409 HydrophobicContact SD-CD2 4.17Å; M168-L409 HydrophobicContact SD-CG 3.76Å; A171-L409 HydrophobicContact CB-CD1 3.83Å; V175-L409 HydrophobicContact CG2-CD1 4.25Å; C405-L409 PolarHBondContact O-N 2.97Å; C405-L409 VanDerWaalsContact O-N 3.07Å; V406-L409 PolarHBondContact O-N 3.2Å; L409-H411 PolarHBondContact O-N 3.15Å; L409-A412 PolarHBondContact O-N 3.28Å; L409-L413 WeakPolarHBondContact O-CB 3.37Å; L409-L413 VanDerWaalsContact O-CG 3.26Å; L409-L413 WeakPolarHBondContact O-CG 3.45Å; L409-L413 PolarHBondContact O-N 3.13Å
410	Y	95.1	Very high	94.3	Very high	49 Å²	49	44.9 Å²	44.9	19%	0.192	20%	0.2	C	C	.	.	H	α-helix	trans	-57.7	-50.6	177.9	169.9	-104.2	0	0	0	112.6	F195 I197 V406 Y407 L413 K414	F195-Y410 HydrophobicContact CD1-CD2 4.36Å; F195-Y410 VanDerWaalsContact O-CD2 3.25Å; F195-Y410 WeakPolarHBondContact O-CD2 3.38Å; F195-Y410 WeakPolarHBondContact O-CE2 3.21Å; I197-Y410 VanDerWaalsContact CD1-CB 3.47Å; I197-Y410 HydrophobicContact CD1-CD1 3.5Å; I197-Y410 HydrophobicContact CD1-CD2 3.34Å; I197-Y410 HydrophobicContact CD1-CE1 4Å; I197-Y410 HydrophobicContact CD1-CE2 3.85Å; I197-Y410 HydrophobicContact CD1-CG 3.13Å; I197-Y410 HydrophobicContact CG1-CD2 3.63Å; I197-Y410 HydrophobicContact CG1-CE2 4.21Å; I197-Y410 HydrophobicContact CG1-CG 3.86Å; V406-Y410 WeakPolarHBondContact O-CB 3.5Å; V406-Y410 PolarHBondContact O-N 3.02Å; Y407-Y410 PolarHBondContact O-N 3.08Å; Y410-L413 PolarHBondContact O-N 2.99Å; Y410-K414 HydrophobicContact CE1-CD 3.87Å; Y410-K414 HydrophobicContact CE2-CD 4.35Å; Y410-K414 WeakPolarHBondContact O-CB 3.03Å; Y410-K414 PolarHBondContact O-N 3.45Å; Y410-K414 PolarHBondContact OH-NZ 3.34Å; Y410-K414 VanDerWaalsContact OH-NZ 3.08Å
411	H	94.2	Very high	94	Very high	43 Å²	43	40.2 Å²	40.2	20%	0.199	18%	0.175	C	C	.	.	H	α-helix	trans	-64.8	-41.2	179.3	-82.8	-74.2	0	0	0	111.9	Y407 L409 E415 T548 P551	Y407-H411 PolarHBondContact O-CD2 3.4Å; Y407-H411 VanDerWaalsContact O-CD2 3.24Å; Y407-H411 PolarHBondContact O-N 3.18Å; L409-H411 PolarHBondContact O-N 3.15Å; H411-E415 IonicContact CG-OE1 2.86Å; H411-E415 IonicContact ND1-OE1 3.66Å; H411-E415 PolarHBondContact ND1-OE1 3.33Å; H411-E415 VanDerWaalsContact O-CB 3.28Å; H411-E415 WeakPolarHBondContact O-CB 3.36Å; H411-E415 WeakPolarHBondContact O-CG 3.27Å; H411-E415 PolarHBondContact O-N 3.18Å; H411-T548 HydrophobicContact CB-CG2 3.85Å; H411-P551 HydrophobicContact CB-CG 4.1Å
412	A	93.6	Very high	93.3	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-60.5	-47.6	176	0	0	0	0	0	112	I19 L156 L160 R408 L409 E416 V418	I19-A412 HydrophobicContact CD1-CB 3.97Å; I19-A412 WeakPolarHBondContact CD1-O 3.32Å; L156-A412 HydrophobicContact CD1-CB 4.49Å; L160-A412 HydrophobicContact CD1-CB 3.62Å; R408-A412 WeakPolarHBondContact O-CB 3.27Å; R408-A412 PolarHBondContact O-N 3.07Å; L409-A412 PolarHBondContact O-N 3.28Å; A412-E416 WeakPolarHBondContact O-CA 3.45Å; A412-E416 PolarHBondContact O-N 3.18Å; A412-V418 HydrophobicContact CB-CG1 3.66Å
413	L	91.7	Very high	92.9	Very high	19 Å²	19	36 Å²	36	10%	0.099	17%	0.17	C	C	.	.	H	α-helix	trans	-70.1	-38.5	-179.8	-68	174.5	0	0	0	112.5	F23 F153 L156 V175 F193 F195 L409 Y410	F23-L413 HydrophobicContact CE2-CD2 4.09Å; F23-L413 HydrophobicContact CZ-CD1 4.16Å; F23-L413 HydrophobicContact CZ-CD2 3.8Å; F153-L413 HydrophobicContact CE2-CD1 4.4Å; F153-L413 HydrophobicContact CE2-CD2 4.45Å; L156-L413 HydrophobicContact CD2-CD2 4.33Å; V175-L413 HydrophobicContact CG1-CD1 4.04Å; V175-L413 HydrophobicContact CG2-CD1 4.33Å; F193-L413 HydrophobicContact CE1-CD1 4.35Å; F195-L413 HydrophobicContact CB-CD1 4.06Å; L409-L413 WeakPolarHBondContact O-CB 3.37Å; L409-L413 VanDerWaalsContact O-CG 3.26Å; L409-L413 WeakPolarHBondContact O-CG 3.45Å; L409-L413 PolarHBondContact O-N 3.13Å; Y410-L413 PolarHBondContact O-N 2.99Å
414	K	91.3	Very high	92.6	Very high	115 Å²	115	33.7 Å²	33.7	50%	0.5	16%	0.161	S	C	.	.	H	α-helix	trans	-67.6	-37.5	179.1	180	179.9	-175.9	175.6	0	112.7	Y410	Y410-K414 HydrophobicContact CE1-CD 3.87Å; Y410-K414 HydrophobicContact CE2-CD 4.35Å; Y410-K414 WeakPolarHBondContact O-CB 3.03Å; Y410-K414 PolarHBondContact O-N 3.45Å; Y410-K414 PolarHBondContact OH-NZ 3.34Å; Y410-K414 VanDerWaalsContact OH-NZ 3.08Å
415	E	90.7	Very high	92.5	Very high	37 Å²	37	31.4 Å²	31.4	17%	0.173	15%	0.145	C	C	.	.	H	α-helix	trans	-93.5	-9.4	-175.5	-62.9	169.8	-144.9	0	0	112.2	H411 K417 V549 T550	H411-E415 IonicContact CG-OE1 2.86Å; H411-E415 IonicContact ND1-OE1 3.66Å; H411-E415 PolarHBondContact ND1-OE1 3.33Å; H411-E415 VanDerWaalsContact O-CB 3.28Å; H411-E415 WeakPolarHBondContact O-CB 3.36Å; H411-E415 WeakPolarHBondContact O-CG 3.27Å; H411-E415 PolarHBondContact O-N 3.18Å; E415-K417 HydrophobicContact CB-CG 4.01Å; E415-K417 WeakPolarHBondContact O-CD 3.44Å; E415-K417 VanDerWaalsContact O-CG 3.26Å; E415-K417 WeakPolarHBondContact O-CG 3.46Å; E415-K417 PolarHBondContact O-N 3.14Å; E415-K417 VanDerWaalsContact O-N 3.09Å; E415-V549 WeakPolarHBondContact OE2-CB 3.42Å; E415-T550 WeakPolarHBondContact OE1-CB 3.38Å; E415-T550 PolarHBondContact OE1-OG1 3.15Å; E415-T550 WeakPolarHBondContact OE2-CB 3.48Å; E415-T550 PolarHBondContact OE2-N 3.4Å; E415-T550 PolarHBondContact OE2-OG1 3.04Å
416	E	91.4	Very high	92.4	Very high	116 Å²	116	31.7 Å²	31.7	54%	0.542	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	26.8	-176.8	-60	-179.8	176.5	0	0	113.2	I19 A412	I19-E416 WeakPolarHBondContact CB-O 3.43Å; I19-E416 PolarHBondContact N-O 3.12Å; A412-E416 WeakPolarHBondContact O-CA 3.45Å; A412-E416 PolarHBondContact O-N 3.18Å
417	K	92.6	Very high	92.2	Very high	68 Å²	68	31.7 Å²	31.7	30%	0.296	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	150.7	-176.9	67.2	-161.8	-171.6	163.4	0	111.9	Q16 V17 E415 V549	Q16-K417 VanDerWaalsContact OE1-NZ 3.1Å; V17-K417 WeakPolarHBondContact O-CA 3.24Å; E415-K417 HydrophobicContact CB-CG 4.01Å; E415-K417 WeakPolarHBondContact O-CD 3.44Å; E415-K417 VanDerWaalsContact O-CG 3.26Å; E415-K417 WeakPolarHBondContact O-CG 3.46Å; E415-K417 PolarHBondContact O-N 3.14Å; E415-K417 VanDerWaalsContact O-N 3.09Å; K417-V549 HydrophobicContact CG-CB 4.48Å; K417-V549 HydrophobicContact CG-CG2 3.93Å
418	V	94.1	Very high	92.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	159.6	174.8	-76.7	0	0	0	0	110.1	Q16 V17 I19 L156 L160 A412 Y546 D547	Q16-V418 CarbonylContact C-O 3.58Å; Q16-V418 WeakPolarHBondContact CA-O 3.43Å; V17-V418 HydrophobicContact CB-CG2 4.14Å; V17-V418 PolarHBondContact N-O 2.77Å; V17-V418 PolarHBondContact O-N 2.96Å; I19-V418 HydrophobicContact CD1-CG1 3.94Å; I19-V418 HydrophobicContact CD1-CG2 4.34Å; I19-V418 HydrophobicContact CG1-CG2 4.38Å; L156-V418 HydrophobicContact CD1-CG1 4.16Å; L156-V418 HydrophobicContact CD1-CG2 4.35Å; L160-V418 HydrophobicContact CD2-CG1 4.27Å; A412-V418 HydrophobicContact CB-CG1 3.66Å; V418-Y546 HydrophobicContact CB-CD1 4.44Å; V418-Y546 HydrophobicContact CB-CG 4.41Å; V418-Y546 HydrophobicContact CG2-CD1 3.67Å; V418-Y546 HydrophobicContact CG2-CE1 4.26Å; V418-Y546 HydrophobicContact CG2-CG 3.82Å; V418-D547 CarbonylContact C-O 3.58Å; V418-D547 WeakPolarHBondContact CA-O 3.41Å; V418-D547 WeakPolarHBondContact CB-O 3.33Å
419	F	93.8	Very high	92.1	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	154.6	167.2	-76	-49.3	0	0	0	111.1	V12 Q16 G421 V425 Y546 D547 V549 K552 I553	V12-F419 HydrophobicContact CB-CE1 4.14Å; V12-F419 HydrophobicContact CB-CZ 4.35Å; V12-F419 HydrophobicContact CG2-CE1 3.96Å; V12-F419 HydrophobicContact CG2-CZ 3.71Å; V12-F419 WeakPolarHBondContact O-CE1 3.42Å; Q16-F419 HydrophobicContact CG-CD1 3.72Å; Q16-F419 HydrophobicContact CG-CE1 3.33Å; Q16-F419 HydrophobicContact CG-CZ 4.24Å; F419-G421 PolarHBondContact O-N 2.99Å; F419-V425 HydrophobicContact CB-CG1 3.86Å; F419-V425 HydrophobicContact CD1-CG1 3.79Å; F419-V425 HydrophobicContact CE1-CG1 4.44Å; F419-V425 HydrophobicContact CG-CG1 3.83Å; F419-Y546 WeakPolarHBondContact O-CA 3.42Å; F419-D547 HydrophobicContact CB-CB 4.23Å; F419-D547 PolarHBondContact N-O 2.82Å; F419-D547 PolarHBondContact O-N 2.94Å; F419-V549 HydrophobicContact CD1-CG2 4.15Å; F419-V549 HydrophobicContact CD2-CB 4.13Å; F419-V549 HydrophobicContact CD2-CG1 4.4Å; F419-V549 HydrophobicContact CD2-CG2 3.74Å; F419-V549 HydrophobicContact CE1-CG1 4.5Å; F419-V549 HydrophobicContact CE1-CG2 4.23Å; F419-V549 HydrophobicContact CE2-CB 3.88Å; F419-V549 HydrophobicContact CE2-CG1 3.66Å; F419-V549 HydrophobicContact CE2-CG2 3.83Å; F419-V549 HydrophobicContact CG-CG2 3.91Å; F419-V549 HydrophobicContact CZ-CB 4.3Å; F419-V549 HydrophobicContact CZ-CG1 3.72Å; F419-V549 HydrophobicContact CZ-CG2 4.08Å; F419-K552 HydrophobicContact CD2-CD 4.3Å; F419-I553 HydrophobicContact CE2-CD1 4.16Å; F419-I553 HydrophobicContact CE2-CG1 4.12Å; F419-I553 HydrophobicContact CZ-CD1 4.11Å; F419-I553 HydrophobicContact CZ-CG1 4.44Å
420	L	90.2	Very high	92.2	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	123.3	160.5	-61.8	-179.2	0	0	0	109.5	L15 V17 A424 L520 Y523 Y546	L15-L420 HydrophobicContact CD2-CD1 4.33Å; L15-L420 PolarHBondContact O-N 3.06Å; V17-L420 HydrophobicContact CG2-CD2 3.57Å; V17-L420 HydrophobicContact CG2-CG 4.11Å; L420-A424 HydrophobicContact CB-CB 3.88Å; L420-L520 HydrophobicContact CD1-CD2 3.74Å; L420-Y523 HydrophobicContact CB-CD2 4.29Å; L420-Y523 HydrophobicContact CB-CE2 3.98Å; L420-Y523 HydrophobicContact CD1-CD1 4.28Å; L420-Y523 HydrophobicContact CD1-CD2 4.2Å; L420-Y523 HydrophobicContact CD1-CG 4.04Å; L420-Y523 HydrophobicContact CD2-CD1 4.04Å; L420-Y523 HydrophobicContact CD2-CE1 3.79Å; L420-Y523 HydrophobicContact CD2-CE2 4.44Å; L420-Y546 HydrophobicContact CD2-CE1 4.34Å
421	G	88.6	Confident	92.1	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-162.3	179.8	0	0	0	0	0	113.3	F419 G423 A424 V545 D547	F419-G421 PolarHBondContact O-N 2.99Å; G421-G423 VanDerWaalsContact C-N 3.28Å; G421-G423 PolarHBondContact O-N 2.88Å; G421-A424 WeakPolarHBondContact O-CB 3.28Å; G421-A424 PolarHBondContact O-N 3.45Å; G421-V545 WeakPolarHBondContact CA-O 3.34Å; G421-V545 PolarHBondContact N-O 2.92Å; G421-D547 VanDerWaalsContact CA-OD2 3.31Å; G421-D547 WeakPolarHBondContact CA-OD2 3.3Å
422	G	82.8	Confident	92.1	Very high	31 Å²	31	21.2 Å²	21.2	32%	0.32	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.1	27.6	177.2	0	0	0	0	0	114
423	G	88.3	Confident	92.1	Very high	4 Å²	4	21.2 Å²	21.2	4%	0.041	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.2	3.5	179.8	0	0	0	0	0	115.2	G421 V425 E426 F427	G421-G423 VanDerWaalsContact C-N 3.28Å; G421-G423 PolarHBondContact O-N 2.88Å; G423-V425 PolarHBondContact O-N 2.9Å; G423-E426 WeakPolarHBondContact CA-OE2 3.48Å; G423-E426 PolarHBondContact O-N 2.94Å; G423-F427 VanDerWaalsContact O-CB 3.29Å; G423-F427 WeakPolarHBondContact O-CB 3.24Å; G423-F427 PolarHBondContact O-N 3.2Å
424	A	90	Very high	92.2	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-61.5	-44.6	-176.5	0	0	0	0	0	112.9	L420 G421 F427 L428 I519 Y523 V530	L420-A424 HydrophobicContact CB-CB 3.88Å; G421-A424 WeakPolarHBondContact O-CB 3.28Å; G421-A424 PolarHBondContact O-N 3.45Å; A424-F427 PolarHBondContact O-N 2.97Å; A424-L428 PolarHBondContact O-N 2.79Å; A424-I519 HydrophobicContact CB-CG2 4.05Å; A424-Y523 HydrophobicContact CB-CD2 4.11Å; A424-Y523 HydrophobicContact CB-CE2 4.24Å; A424-V530 HydrophobicContact CB-CG2 4.05Å
425	V	93.4	Very high	92.2	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-71.5	-35.9	178.1	-70.8	0	0	0	0	112.6	V12 L15 F419 G423 F427 L428 C429 K552 W556	V12-V425 HydrophobicContact CB-CB 4.47Å; V12-V425 HydrophobicContact CB-CG1 4.3Å; V12-V425 HydrophobicContact CG1-CB 4.06Å; V12-V425 HydrophobicContact CG1-CG1 4.38Å; L15-V425 HydrophobicContact CB-CG1 4.06Å; L15-V425 HydrophobicContact CD1-CG1 3.97Å; F419-V425 HydrophobicContact CB-CG1 3.86Å; F419-V425 HydrophobicContact CD1-CG1 3.79Å; F419-V425 HydrophobicContact CE1-CG1 4.44Å; F419-V425 HydrophobicContact CG-CG1 3.83Å; G423-V425 PolarHBondContact O-N 2.9Å; V425-F427 VanDerWaalsContact C-N 3.33Å; V425-L428 PolarHBondContact O-N 2.91Å; V425-C429 PolarHBondContact O-N 3.33Å; V425-C429 PolarHBondContact O-SG 3.01Å; V425-K552 HydrophobicContact CG2-CD 4.09Å; V425-W556 HydrophobicContact CB-CH2 4.26Å; V425-W556 HydrophobicContact CG2-CH2 4.16Å; V425-W556 HydrophobicContact CG2-CZ2 4.16Å
426	E	94.8	Very high	92.2	Very high	8 Å²	8	18 Å²	18	4%	0.037	9%	0.094	C	C	.	.	H	α-helix	trans	-66.4	-36.9	174.1	-70.4	88.9	174	0	0	112.4	G423 C429 L430 W478 F481 L482 K552 W556	G423-E426 WeakPolarHBondContact CA-OE2 3.48Å; G423-E426 PolarHBondContact O-N 2.94Å; E426-C429 WeakPolarHBondContact O-CB 3.44Å; E426-C429 PolarHBondContact O-N 3.31Å; E426-L430 PolarHBondContact O-N 3.35Å; E426-W478 HydrophobicContact CB-CE3 3.81Å; E426-W478 HydrophobicContact CB-CZ3 4.18Å; E426-W478 HydrophobicContact CG-CE3 3.58Å; E426-W478 HydrophobicContact CG-CZ3 3.46Å; E426-W478 VanDerWaalsContact CG-CZ3 3.46Å; E426-F481 HydrophobicContact CB-CD1 4.2Å; E426-F481 HydrophobicContact CB-CE1 4.18Å; E426-F481 HydrophobicContact CG-CD1 3.88Å; E426-F481 HydrophobicContact CG-CE1 3.54Å; E426-L482 HydrophobicContact CB-CD2 3.99Å; E426-L482 HydrophobicContact CB-CG 4.33Å; E426-K552 WeakPolarHBondContact OE1-CE 3.37Å; E426-K552 IonicContact OE1-NZ 3.48Å; E426-K552 PolarHBondContact OE1-NZ 2.93Å; E426-K552 IonicContact OE2-NZ 3.53Å; E426-K552 PolarHBondContact OE2-NZ 3.33Å; E426-W556 HydrophobicContact CG-CZ2 4.2Å
427	F	93.6	Very high	92.1	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-66.3	-40	173.5	176	-100.8	0	0	0	111.9	G423 A424 V425 C429 L430 S431 L482 H505 V506 A509 Y518 I519 F531	G423-F427 VanDerWaalsContact O-CB 3.29Å; G423-F427 WeakPolarHBondContact O-CB 3.24Å; G423-F427 PolarHBondContact O-N 3.2Å; A424-F427 PolarHBondContact O-N 2.97Å; V425-F427 VanDerWaalsContact C-N 3.33Å; F427-C429 VanDerWaalsContact C-N 3.33Å; F427-C429 PolarHBondContact O-N 3.48Å; F427-L430 WeakPolarHBondContact O-CB 3.41Å; F427-L430 PolarHBondContact O-N 3.21Å; F427-S431 PolarHBondContact O-N 2.98Å; F427-S431 PolarHBondContact O-OG 2.75Å; F427-L482 HydrophobicContact CB-CD1 4.03Å; F427-L482 HydrophobicContact CD2-CD1 4.4Å; F427-H505 HydrophobicContact CE2-CB 3.8Å; F427-H505 HydrophobicContact CZ-CB 3.8Å; F427-H505 WeakPolarHBondContact CZ-O 3.35Å; F427-V506 HydrophobicContact CD2-CG2 4.01Å; F427-V506 HydrophobicContact CE2-CB 4.24Å; F427-V506 HydrophobicContact CE2-CG2 3.4Å; F427-V506 HydrophobicContact CZ-CG2 4.17Å; F427-A509 HydrophobicContact CE1-CB 4.1Å; F427-A509 HydrophobicContact CZ-CB 4.03Å; F427-Y518 HydrophobicContact CE1-CD1 4.25Å; F427-Y518 HydrophobicContact CE1-CE1 4.3Å; F427-Y518 HydrophobicContact CZ-CE1 4.33Å; F427-I519 HydrophobicContact CD1-CD1 3.46Å; F427-I519 VanDerWaalsContact CD1-CD1 3.46Å; F427-I519 HydrophobicContact CD1-CG1 3.5Å; F427-I519 VanDerWaalsContact CD1-CG1 3.5Å; F427-I519 HydrophobicContact CE1-CD1 3.87Å; F427-I519 HydrophobicContact CE1-CG1 3.59Å; F427-F531 HydrophobicContact CB-CE2 3.93Å; F427-F531 HydrophobicContact CB-CZ 3.75Å; F427-F531 HydrophobicContact CD2-CE1 4.2Å; F427-F531 AromaticContact CD2-CZ 3.52Å; F427-F531 HydrophobicContact CD2-CZ 3.52Å; F427-F531 HydrophobicContact CE2-CZ 4.29Å; F427-F531 HydrophobicContact CG-CE2 4.36Å; F427-F531 AromaticContact CG-CZ 3.75Å; F427-F531 HydrophobicContact CG-CZ 3.75Å
428	L	94.4	Very high	91.9	Very high	7 Å²	7	13.7 Å²	13.7	4%	0.037	8%	0.075	C	C	.	.	H	α-helix	trans	-60.3	-43.8	171.7	-177.6	55.6	0	0	0	111.5	V12 L15 A424 V425 L430 S431 H432 P515 I519	V12-L428 HydrophobicContact CG1-CD2 4.22Å; L15-L428 HydrophobicContact CD1-CB 3.86Å; L15-L428 HydrophobicContact CD1-CD2 3.48Å; L15-L428 VanDerWaalsContact CD1-CD2 3.48Å; L15-L428 HydrophobicContact CD1-CG 4.3Å; L15-L428 HydrophobicContact CG-CD2 3.65Å; A424-L428 PolarHBondContact O-N 2.79Å; V425-L428 PolarHBondContact O-N 2.91Å; L428-L430 VanDerWaalsContact C-N 3.31Å; L428-L430 PolarHBondContact O-N 3.03Å; L428-S431 PolarHBondContact O-N 3.46Å; L428-H432 WeakPolarHBondContact O-CB 3.41Å; L428-H432 PolarHBondContact O-N 2.63Å; L428-P515 HydrophobicContact CD1-CB 3.75Å; L428-I519 HydrophobicContact CB-CD1 3.56Å; L428-I519 HydrophobicContact CD1-CD1 3.97Å; L428-I519 HydrophobicContact CG-CD1 4.27Å
429	C	95.6	Very high	91.4	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-58	-44.2	175	-66.6	0	0	0	0	111.6	C8 V12 V425 E426 F427 H432 L433 W478	C8-C429 HydrophobicContact CB-CB 4.17Å; V12-C429 VanDerWaalsContact CG1-SG 3.58Å; V425-C429 PolarHBondContact O-N 3.33Å; V425-C429 PolarHBondContact O-SG 3.01Å; E426-C429 WeakPolarHBondContact O-CB 3.44Å; E426-C429 PolarHBondContact O-N 3.31Å; F427-C429 VanDerWaalsContact C-N 3.33Å; F427-C429 PolarHBondContact O-N 3.48Å; C429-H432 PolarHBondContact O-N 3.16Å; C429-L433 WeakPolarHBondContact O-CB 3.48Å; C429-L433 VanDerWaalsContact O-CG 3.22Å; C429-L433 WeakPolarHBondContact O-CG 3.41Å; C429-L433 PolarHBondContact O-N 3.23Å; C429-W478 HydrophobicContact CB-CD2 4.11Å; C429-W478 HydrophobicContact CB-CG 4.37Å; C429-W478 HydrophobicContact CB-CZ2 4.29Å
430	L	95.5	Very high	90.6	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-59.4	-55.2	177.1	171.2	59.8	0	0	0	111.8	E426 F427 L428 H432 L433 Q434 A475 W478 H479 L482 I502 V506	E426-L430 PolarHBondContact O-N 3.35Å; F427-L430 WeakPolarHBondContact O-CB 3.41Å; F427-L430 PolarHBondContact O-N 3.21Å; L428-L430 VanDerWaalsContact C-N 3.31Å; L428-L430 PolarHBondContact O-N 3.03Å; L430-H432 VanDerWaalsContact C-N 3.32Å; L430-H432 PolarHBondContact O-N 3.12Å; L430-L433 PolarHBondContact O-N 3.24Å; L430-Q434 HydrophobicContact CD1-CG 4.44Å; L430-Q434 WeakPolarHBondContact O-CG 3.37Å; L430-Q434 PolarHBondContact O-N 3.29Å; L430-Q434 VanDerWaalsContact O-N 3.13Å; L430-A475 HydrophobicContact CD1-CB 3.94Å; L430-A475 WeakPolarHBondContact CD1-O 3.22Å; L430-W478 HydrophobicContact CB-CB 4.1Å; L430-H479 HydrophobicContact CD1-CB 4.1Å; L430-H479 HydrophobicContact CD2-CB 4.17Å; L430-L482 HydrophobicContact CD2-CD1 3.94Å; L430-I502 HydrophobicContact CD2-CG2 3.59Å; L430-V506 HydrophobicContact CD2-CG2 3.59Å; L430-V506 HydrophobicContact CG-CG2 3.89Å
431	S	93.8	Very high	89.7	Confident	0 Å²	0	24 Å²	24	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-60	-43.1	179.1	-62.1	0	0	0	0	111.6	F427 L428 L433 Q434 I435	F427-S431 PolarHBondContact O-N 2.98Å; F427-S431 PolarHBondContact O-OG 2.75Å; L428-S431 PolarHBondContact O-N 3.46Å; S431-L433 PolarHBondContact O-N 2.89Å; S431-Q434 PolarHBondContact O-N 3.49Å; S431-I435 WeakPolarHBondContact O-CG1 3.34Å; S431-I435 PolarHBondContact O-N 2.99Å
432	H	94.4	Very high	88.6	Confident	40 Å²	40	28.6 Å²	28.6	19%	0.185	15%	0.153	C	C	.	.	H	α-helix	trans	-62.1	-44.6	179.2	-174.4	63	0	0	0	112.4	S7 L428 C429 L430 Q434 I435 L436	S7-H432 PolarHBondContact O-NE2 3.12Å; S7-H432 PolarHBondContact OG-NE2 3.45Å; L428-H432 WeakPolarHBondContact O-CB 3.41Å; L428-H432 PolarHBondContact O-N 2.63Å; C429-H432 PolarHBondContact O-N 3.16Å; L430-H432 VanDerWaalsContact C-N 3.32Å; L430-H432 PolarHBondContact O-N 3.12Å; H432-Q434 VanDerWaalsContact C-N 3.34Å; H432-Q434 PolarHBondContact O-N 3.3Å; H432-I435 PolarHBondContact O-N 3.46Å; H432-L436 WeakPolarHBondContact NE2-CD1 3.46Å; H432-L436 WeakPolarHBondContact O-CG 3.33Å; H432-L436 PolarHBondContact O-N 2.96Å
433	L	94.4	Very high	87.4	Confident	0 Å²	0	36 Å²	36	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-66.5	-34.7	178.7	-72.4	169.6	0	0	0	112.8	C8 C429 L430 S431 L436 A437 L471 L474 A475 W478	C8-L433 VanDerWaalsContact SG-CG 3.51Å; C429-L433 WeakPolarHBondContact O-CB 3.48Å; C429-L433 VanDerWaalsContact O-CG 3.22Å; C429-L433 WeakPolarHBondContact O-CG 3.41Å; C429-L433 PolarHBondContact O-N 3.23Å; L430-L433 PolarHBondContact O-N 3.24Å; S431-L433 PolarHBondContact O-N 2.89Å; L433-L436 PolarHBondContact O-N 3.26Å; L433-A437 WeakPolarHBondContact O-CB 3.45Å; L433-A437 PolarHBondContact O-N 3.42Å; L433-L471 HydrophobicContact CD2-CD2 3.82Å; L433-L474 HydrophobicContact CD1-CB 4.2Å; L433-L474 HydrophobicContact CD1-CD2 3.84Å; L433-L474 HydrophobicContact CD1-CG 3.79Å; L433-L474 HydrophobicContact CD2-CD2 3.97Å; L433-A475 HydrophobicContact CB-CB 3.93Å; L433-A475 HydrophobicContact CD1-CB 4.46Å; L433-W478 VanDerWaalsContact CD1-CD1 3.47Å
434	Q	92.5	Very high	85.6	Confident	34 Å²	34	38 Å²	38	16%	0.159	19%	0.191	C	C	.	.	H	α-helix	trans	-65.5	-46.3	174.4	-71.2	-171.9	3.3	0	0	111.2	L430 S431 H432 L436 A437 E438 A475 I510	L430-Q434 HydrophobicContact CD1-CG 4.44Å; L430-Q434 WeakPolarHBondContact O-CG 3.37Å; L430-Q434 PolarHBondContact O-N 3.29Å; L430-Q434 VanDerWaalsContact O-N 3.13Å; S431-Q434 PolarHBondContact O-N 3.49Å; H432-Q434 VanDerWaalsContact C-N 3.34Å; H432-Q434 PolarHBondContact O-N 3.3Å; Q434-L436 VanDerWaalsContact C-N 3.34Å; Q434-L436 PolarHBondContact O-N 2.89Å; Q434-A437 WeakPolarHBondContact O-CB 3.48Å; Q434-A437 PolarHBondContact O-N 3.4Å; Q434-A437 VanDerWaalsContact O-N 3.14Å; Q434-E438 WeakPolarHBondContact O-CG 3.29Å; Q434-E438 PolarHBondContact O-N 2.96Å; Q434-A475 HydrophobicContact CG-CB 4.3Å; Q434-I510 HydrophobicContact CB-CD1 4.48Å
435	I	91.4	Very high	83.4	Confident	36 Å²	36	44.1 Å²	44.1	19%	0.185	22%	0.224	C	C	.	.	H	α-helix	trans	-58.2	-45.8	174.9	-67	166.1	0	0	0	110.7	S431 H432 A437 E438 Q439 I510 P515	S431-I435 WeakPolarHBondContact O-CG1 3.34Å; S431-I435 PolarHBondContact O-N 2.99Å; H432-I435 PolarHBondContact O-N 3.46Å; I435-A437 VanDerWaalsContact C-N 3.33Å; I435-A437 PolarHBondContact O-N 3.33Å; I435-E438 PolarHBondContact O-N 3.18Å; I435-Q439 HydrophobicContact CG2-CG 4.25Å; I435-Q439 VanDerWaalsContact CG2-NE2 3.34Å; I435-Q439 WeakPolarHBondContact O-CB 3.39Å; I435-Q439 VanDerWaalsContact O-CG 3.27Å; I435-Q439 WeakPolarHBondContact O-CG 3.46Å; I435-Q439 PolarHBondContact O-N 3.28Å; I435-I510 HydrophobicContact CD1-CG1 4.15Å; I435-I510 HydrophobicContact CG1-CD1 4.49Å; I435-I510 HydrophobicContact CG1-CG1 3.98Å; I435-P515 HydrophobicContact CD1-CG 3.55Å
436	L	90.4	Very high	81.1	Confident	33 Å²	33	52 Å²	52	17%	0.173	26%	0.261	C	S	.	.	H	α-helix	trans	-63.4	-37.3	177.3	-72.3	177.9	0	0	0	112.8	H432 L433 Q434 S440 L471	H432-L436 WeakPolarHBondContact NE2-CD1 3.46Å; H432-L436 WeakPolarHBondContact O-CG 3.33Å; H432-L436 PolarHBondContact O-N 2.96Å; L433-L436 PolarHBondContact O-N 3.26Å; Q434-L436 VanDerWaalsContact C-N 3.34Å; Q434-L436 PolarHBondContact O-N 2.89Å; L436-S440 WeakPolarHBondContact O-CB 3.45Å; L436-S440 PolarHBondContact O-N 3.16Å; L436-S440 PolarHBondContact O-OG 3.45Å; L436-L471 HydrophobicContact CB-CD1 4.06Å
437	A	89.9	Confident	78.6	Confident	1 Å²	1	55.7 Å²	55.7	1%	0.008	29%	0.293	C	S	.	.	H	α-helix	trans	-67	-37.7	176.4	0	0	0	0	0	111.9	L433 Q434 I435 S440 L441 L471 K472	L433-A437 WeakPolarHBondContact O-CB 3.45Å; L433-A437 PolarHBondContact O-N 3.42Å; Q434-A437 WeakPolarHBondContact O-CB 3.48Å; Q434-A437 PolarHBondContact O-N 3.4Å; Q434-A437 VanDerWaalsContact O-N 3.14Å; I435-A437 VanDerWaalsContact C-N 3.33Å; I435-A437 PolarHBondContact O-N 3.33Å; A437-S440 WeakPolarHBondContact CA-OG 3.43Å; A437-S440 PolarHBondContact O-OG 3.43Å; A437-L441 PolarHBondContact O-N 3.2Å; A437-L471 HydrophobicContact CB-CB 4.01Å; A437-K472 HydrophobicContact CB-CG 3.86Å
438	E	87.2	Confident	75.9	Confident	93 Å²	93	61.2 Å²	61.2	44%	0.435	33%	0.33	S	S	.	.	H	α-helix	trans	-73.2	-42.5	176.8	-71	175.9	-178.5	0	0	112.2	Q434 I435 S440 L441 N442	Q434-E438 WeakPolarHBondContact O-CG 3.29Å; Q434-E438 PolarHBondContact O-N 2.96Å; I435-E438 PolarHBondContact O-N 3.18Å; E438-S440 VanDerWaalsContact C-N 3.3Å; E438-S440 PolarHBondContact O-N 3.43Å; E438-L441 WeakPolarHBondContact O-CB 3.43Å; E438-L441 PolarHBondContact O-N 2.91Å; E438-N442 PolarHBondContact O-N 3.28Å; E438-N442 PolarHBondContact O-ND2 3.4Å
439	Q	84.3	Confident	73.3	Confident	99 Å²	99	69.2 Å²	69.2	46%	0.463	37%	0.372	S	S	.	.	H	α-helix	trans	-61.7	-38.1	175.5	-73.9	178.5	4.9	0	0	112.2	I435 N442 R443	I435-Q439 HydrophobicContact CG2-CG 4.25Å; I435-Q439 VanDerWaalsContact CG2-NE2 3.34Å; I435-Q439 WeakPolarHBondContact O-CB 3.39Å; I435-Q439 VanDerWaalsContact O-CG 3.27Å; I435-Q439 WeakPolarHBondContact O-CG 3.46Å; I435-Q439 PolarHBondContact O-N 3.28Å; Q439-N442 PolarHBondContact O-N 3.37Å; Q439-R443 VanDerWaalsContact O-CB 3.22Å; Q439-R443 WeakPolarHBondContact O-CB 3.3Å; Q439-R443 PolarHBondContact O-N 3.33Å
440	S	76.5	Confident	70.7	Confident	24 Å²	24	72.4 Å²	72.4	17%	0.168	40%	0.404	C	S	.	.	H	α-helix	trans	-68.8	-34.2	176.8	49.7	0	0	0	0	112.6	L436 A437 E438 G444	L436-S440 WeakPolarHBondContact O-CB 3.45Å; L436-S440 PolarHBondContact O-N 3.16Å; L436-S440 PolarHBondContact O-OG 3.45Å; A437-S440 WeakPolarHBondContact CA-OG 3.43Å; A437-S440 PolarHBondContact O-OG 3.43Å; E438-S440 VanDerWaalsContact C-N 3.3Å; E438-S440 PolarHBondContact O-N 3.43Å; S440-G444 PolarHBondContact O-N 3.02Å; S440-G444 VanDerWaalsContact O-N 3.11Å
441	L	72.5	Confident	67.8	Low	93 Å²	93	84.4 Å²	84.4	49%	0.487	45%	0.45	S	S	.	.	H	α-helix	trans	-66.2	-45.7	172	-169	69.5	0	0	0	111.6	A437 E438 G444 N445	A437-L441 PolarHBondContact O-N 3.2Å; E438-L441 WeakPolarHBondContact O-CB 3.43Å; E438-L441 PolarHBondContact O-N 2.91Å; L441-G444 PolarHBondContact O-N 2.92Å; L441-N445 PolarHBondContact O-N 3.16Å
442	N	64.8	Low	64.9	Low	98 Å²	98	92.3 Å²	92.3	52%	0.524	49%	0.491	S	S	.	.	H	α-helix	trans	-69.9	-36.1	-178.7	-68.8	-19.4	0	0	0	112.6	E438 Q439 N445	E438-N442 PolarHBondContact O-N 3.28Å; E438-N442 PolarHBondContact O-ND2 3.4Å; Q439-N442 PolarHBondContact O-N 3.37Å; N442-N445 PolarHBondContact O-N 3.47Å
443	R	58.1	Low	62.5	Low	187 Å²	187	95.5 Å²	95.5	71%	0.706	52%	0.516	S	S	*	.	H	α-helix	trans	-71.4	-30.9	175.4	-162.9	-177.4	-68.4	-136.3	2.6	112	Q439 N445 H446 A447	Q439-R443 VanDerWaalsContact O-CB 3.22Å; Q439-R443 WeakPolarHBondContact O-CB 3.3Å; Q439-R443 PolarHBondContact O-N 3.33Å; R443-N445 PolarHBondContact O-N 3.15Å; R443-H446 PolarHBondContact O-N 2.78Å; R443-H446 VanDerWaalsContact O-N 3.12Å; R443-A447 PolarHBondContact O-N 3.24Å
444	G	51.1	Low	59.9	Low	44 Å²	44	103 Å²	103	45%	0.454	56%	0.555	S	S	.	*	H	α-helix	trans	-60.4	-27	171.2	0	0	0	0	0	113.7	S440 L441	S440-G444 PolarHBondContact O-N 3.02Å; S440-G444 VanDerWaalsContact O-N 3.11Å; L441-G444 PolarHBondContact O-N 2.92Å
445	N	43.2	Very low	57.5	Low	130 Å²	130	106.1 Å²	106.1	70%	0.695	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.8	-13.3	176	-69.4	-22.7	0	0	0	113.9	L441 N442 R443	L441-N445 PolarHBondContact O-N 3.16Å; N442-N445 PolarHBondContact O-N 3.47Å; R443-N445 PolarHBondContact O-N 3.15Å
446	H	44.3	Very low	55.3	Low	166 Å²	166	110.2 Å²	110.2	77%	0.769	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.3	-3.8	179.1	-78.1	-67.3	0	0	0	114.3	R443 C448	R443-H446 PolarHBondContact O-N 2.78Å; R443-H446 VanDerWaalsContact O-N 3.12Å; H446-C448 PolarHBondContact O-N 2.98Å; H446-C448 VanDerWaalsContact O-N 3.09Å
447	A	41.8	Very low	53.5	Low	85 Å²	85	110.9 Å²	110.9	70%	0.702	62%	0.621	S	S	*	*			trans	-86	54.3	173.4	0	0	0	0	0	112	R443	R443-A447 PolarHBondContact O-N 3.24Å
448	C	38.1	Very low	51.7	Low	115 Å²	115	120.2 Å²	120.2	78%	0.777	66%	0.656	S	S	*	*			trans	-145	80.2	156.8	-168.8	0	0	0	0	106.1	H446	H446-C448 PolarHBondContact O-N 2.98Å; H446-C448 VanDerWaalsContact O-N 3.09Å
449	L	39.4	Very low	50	Low	176 Å²	176	121.1 Å²	121.1	92%	0.921	66%	0.661	S	S	*	*	S	Bend	trans	178	91.3	152.3	-92.4	162.1	0	0	0	108.5
450	G	42.1	Very low	48.7	Very low	66 Å²	66	119 Å²	119	68%	0.68	66%	0.66	S	S	*	*	S	Bend	trans	85.3	89.5	151	0	0	0	0	0	117.7
451	W	34.1	Very low	47.8	Very low	252 Å²	252	121.5 Å²	121.5	96%	0.955	68%	0.678	S	S	*	*	S	Bend		157	95.9	115.5	-87.3	18.5	0	0	0	111.6
452	L	32.3	Very low	47.4	Very low	167 Å²	167	119 Å²	119	87%	0.874	67%	0.668	S	S	*	*			trans	158	110.9	133.7	-85.1	164.8	0	0	0	107.3
453	P	45	Very low	47.6	Very low	107 Å²	107	119.2 Å²	119.2	70%	0.695	67%	0.669	S	S	*	*			trans	-74.1	150.5	164.6	32.1	-27.2	0	0	0	108.7
454	D	39.6	Very low	48.2	Very low	156 Å²	156	113.6 Å²	113.6	83%	0.834	66%	0.659	S	S	*	*			trans	95.3	51.4	164.9	-47.1	-27.4	0	0	0	118.7
455	S	40.6	Very low	49.5	Very low	100 Å²	100	116 Å²	116	70%	0.699	66%	0.664	S	S	*	*			trans	-146.9	69	140.6	-167.6	0	0	0	0	110.9	S457	S455-S457 PolarHBondContact O-N 3.36Å
456	S	46.9	Very low	51.5	Low	123 Å²	123	117 Å²	117	86%	0.86	66%	0.659	S	S	*	*			trans	-77.4	70.4	172	58.8	0	0	0	0	110.2
457	S	51.6	Low	53.5	Low	47 Å²	47	112.8 Å²	112.8	33%	0.329	64%	0.637	S	S	.	*			trans	-89.4	127.8	159.9	100.6	0	0	0	0	107.6	S455 M459 A460 S461	S455-S457 PolarHBondContact O-N 3.36Å; S457-M459 PolarHBondContact O-N 2.79Å; S457-M459 PolarHBondContact OG-N 2.86Å; S457-A460 WeakPolarHBondContact O-CB 3.48Å; S457-A460 PolarHBondContact O-N 2.8Å; S457-A460 PolarHBondContact OG-N 3.36Å; S457-A460 VanDerWaalsContact OG-N 3.11Å; S457-S461 PolarHBondContact O-N 3.45Å
458	W	52.5	Low	55.8	Low	196 Å²	196	109.2 Å²	109.2	74%	0.742	61%	0.606	S	S	*	*	H	α-helix	trans	-49.1	-25.5	170.9	63.7	-68.5	0	0	0	113.1	S461 S462	W458-S461 WeakPolarHBondContact CA-OG 3.26Å; W458-S461 PolarHBondContact O-OG 3.15Å; W458-S462 WeakPolarHBondContact O-CB 3.25Å; W458-S462 PolarHBondContact O-N 3.12Å; W458-S462 VanDerWaalsContact O-N 3.16Å; W458-S462 PolarHBondContact O-OG 3.12Å
459	M	50.9	Low	58.3	Low	113 Å²	113	107.7 Å²	107.7	56%	0.557	59%	0.593	S	S	*	*	H	α-helix	trans	-71.6	-34.5	173	-61.6	-174.2	-160.3	0	0	113.3	S457 S462 L463	S457-M459 PolarHBondContact O-N 2.79Å; S457-M459 PolarHBondContact OG-N 2.86Å; M459-S462 WeakPolarHBondContact CA-OG 3.34Å; M459-S462 PolarHBondContact O-N 3.47Å; M459-S462 PolarHBondContact O-OG 3.09Å; M459-L463 WeakPolarHBondContact O-CB 3.22Å; M459-L463 PolarHBondContact O-N 3.07Å
460	A	57.1	Low	60.8	Low	53 Å²	53	101.5 Å²	101.5	44%	0.438	56%	0.563	S	S	.	*	H	α-helix	trans	-70.7	-37.2	177.3	0	0	0	0	0	111.6	S457 L463	S457-A460 WeakPolarHBondContact O-CB 3.48Å; S457-A460 PolarHBondContact O-N 2.8Å; S457-A460 PolarHBondContact OG-N 3.36Å; S457-A460 VanDerWaalsContact OG-N 3.11Å; A460-L463 WeakPolarHBondContact O-CB 2.73Å; A460-L463 PolarHBondContact O-N 3.47Å
461	S	58.8	Low	63.2	Low	78 Å²	78	98.8 Å²	98.8	55%	0.545	53%	0.533	S	S	.	.	H	α-helix	trans	-70.9	-30.8	174	48.9	0	0	0	0	113.4	S457 W458 S464	S457-S461 PolarHBondContact O-N 3.45Å; W458-S461 WeakPolarHBondContact CA-OG 3.26Å; W458-S461 PolarHBondContact O-OG 3.15Å; S461-S464 PolarHBondContact O-OG 2.69Å
462	S	63.4	Low	66.1	Low	40 Å²	40	92.5 Å²	92.5	28%	0.28	51%	0.512	S	S	.	.	H	α-helix	trans	-80.3	-25.7	175.3	66.6	0	0	0	0	112.3	W458 M459 S464 V465 Y466	W458-S462 WeakPolarHBondContact O-CB 3.25Å; W458-S462 PolarHBondContact O-N 3.12Å; W458-S462 VanDerWaalsContact O-N 3.16Å; W458-S462 PolarHBondContact O-OG 3.12Å; M459-S462 WeakPolarHBondContact CA-OG 3.34Å; M459-S462 PolarHBondContact O-N 3.47Å; M459-S462 PolarHBondContact O-OG 3.09Å; S462-S464 PolarHBondContact O-N 3.22Å; S462-V465 PolarHBondContact O-N 3.32Å; S462-V465 VanDerWaalsContact O-N 3.15Å; S462-Y466 WeakPolarHBondContact O-CD2 3.25Å; S462-Y466 PolarHBondContact O-N 2.93Å
463	L	69.3	Low	68.9	Low	102 Å²	102	88.3 Å²	88.3	53%	0.534	50%	0.496	S	S	.	.	H	α-helix	trans	-58.4	-44.5	178.4	-161.3	88.9	0	0	0	112.1	M459 A460 V465 R467	M459-L463 WeakPolarHBondContact O-CB 3.22Å; M459-L463 PolarHBondContact O-N 3.07Å; A460-L463 WeakPolarHBondContact O-CB 2.73Å; A460-L463 PolarHBondContact O-N 3.47Å; L463-V465 PolarHBondContact O-N 3Å; L463-R467 WeakPolarHBondContact O-CB 3.37Å; L463-R467 PolarHBondContact O-N 3.38Å
464	S	71.4	Confident	71.2	Confident	70 Å²	70	85 Å²	85	49%	0.49	47%	0.473	S	S	.	.	H	α-helix	trans	-64.6	-28.1	179.4	58	0	0	0	0	113	S461 S462 P468	S461-S464 PolarHBondContact O-OG 2.69Å; S462-S464 PolarHBondContact O-N 3.22Å; S464-P468 VanDerWaalsContact O-CD 3.25Å; S464-P468 WeakPolarHBondContact O-CD 3.2Å
465	V	78.2	Confident	73.9	Confident	94 Å²	94	77.8 Å²	77.8	57%	0.57	44%	0.435	S	S	*	.	H	α-helix	trans	-82.7	-45	-179.9	-179.6	0	0	0	0	111.6	S462 L463	S462-V465 PolarHBondContact O-N 3.32Å; S462-V465 VanDerWaalsContact O-N 3.15Å; L463-V465 PolarHBondContact O-N 3Å
466	Y	83.8	Confident	76.4	Confident	151 Å²	151	74.5 Å²	74.5	59%	0.592	42%	0.417	S	S	*	.	H	α-helix	trans	-86.6	-24.4	-175.5	-66.4	-65.4	0	0	0	113.6	S462 T469 V470	S462-Y466 WeakPolarHBondContact O-CD2 3.25Å; S462-Y466 PolarHBondContact O-N 2.93Å; Y466-T469 WeakPolarHBondContact O-CB 3.17Å; Y466-T469 PolarHBondContact O-N 3.29Å; Y466-V470 WeakPolarHBondContact O-CG2 3.26Å; Y466-V470 PolarHBondContact O-N 2.97Å
467	R	87.8	Confident	78.6	Confident	78 Å²	78	70.5 Å²	70.5	29%	0.294	40%	0.395	S	S	.	.	H	α-helix	trans	-57.9	-50.1	-177.8	175.2	-175.8	-176.9	115.5	2.2	113.3	E3 L463 T469 V470 L471	E3-R467 VanDerWaalsContact CD-NH2 3.29Å; E3-R467 IonicContact OE1-CZ 2.72Å; E3-R467 IonicContact OE1-NH1 2.72Å; E3-R467 PolarHBondContact OE1-NH1 3.5Å; E3-R467 IonicContact OE1-NH2 3.36Å; E3-R467 PolarHBondContact OE1-NH2 3.17Å; E3-R467 IonicContact OE2-CZ 3.39Å; E3-R467 IonicContact OE2-NH1 3.25Å; E3-R467 PolarHBondContact OE2-NH1 3.31Å; E3-R467 IonicContact OE2-NH2 3.58Å; L463-R467 WeakPolarHBondContact O-CB 3.37Å; L463-R467 PolarHBondContact O-N 3.38Å; R467-T469 VanDerWaalsContact C-N 3.26Å; R467-T469 PolarHBondContact O-N 3.34Å; R467-V470 PolarHBondContact O-N 3.04Å; R467-L471 HydrophobicContact CG-CD1 4.01Å; R467-L471 HydrophobicContact CG-CG 4.44Å; R467-L471 WeakPolarHBondContact O-CG 3.42Å; R467-L471 PolarHBondContact O-N 3.12Å
468	P	89.6	Confident	80.6	Confident	10 Å²	10	69.7 Å²	69.7	7%	0.065	39%	0.385	C	S	.	.	H	α-helix	trans	-58	-40.4	176.6	-20.9	30.3	0	0	0	112.1	S464 L471 K472	S464-P468 VanDerWaalsContact O-CD 3.25Å; S464-P468 WeakPolarHBondContact O-CD 3.2Å; P468-L471 PolarHBondContact O-N 3.05Å; P468-K472 WeakPolarHBondContact O-CB 3.17Å; P468-K472 WeakPolarHBondContact O-CG 3.21Å; P468-K472 PolarHBondContact O-N 2.82Å
469	T	90.9	Very high	82.6	Confident	82 Å²	82	61.5 Å²	61.5	50%	0.503	36%	0.355	S	S	.	.	H	α-helix	trans	-63	-47.5	178	-53.4	0	0	0	0	111.5	Y466 R467 L471 K472 S473	Y466-T469 WeakPolarHBondContact O-CB 3.17Å; Y466-T469 PolarHBondContact O-N 3.29Å; R467-T469 VanDerWaalsContact C-N 3.26Å; R467-T469 PolarHBondContact O-N 3.34Å; T469-L471 VanDerWaalsContact C-N 3.35Å; T469-L471 PolarHBondContact O-N 2.87Å; T469-K472 PolarHBondContact O-N 3.11Å; T469-S473 PolarHBondContact O-N 2.88Å; T469-S473 PolarHBondContact O-OG 2.94Å
470	V	91.4	Very high	84.6	Confident	47 Å²	47	61.6 Å²	61.6	29%	0.285	35%	0.354	S	S	.	.	H	α-helix	trans	-63.2	-40.2	178.1	172.2	0	0	0	0	111.6	M1 Y466 R467 S473 L474	M1-V470 HydrophobicContact CE-CG1 4.23Å; M1-V470 HydrophobicContact CG-CG1 3.51Å; Y466-V470 WeakPolarHBondContact O-CG2 3.26Å; Y466-V470 PolarHBondContact O-N 2.97Å; R467-V470 PolarHBondContact O-N 3.04Å; V470-S473 PolarHBondContact O-N 3.43Å; V470-L474 PolarHBondContact O-N 3.39Å
471	L	93.3	Very high	86.3	Confident	9 Å²	9	63.3 Å²	63.3	5%	0.047	35%	0.352	C	S	.	.	H	α-helix	trans	-66.1	-41.1	176.5	-68.4	173.6	0	0	0	111.7	L433 L436 A437 R467 P468 T469 L474 A475	L433-L471 HydrophobicContact CD2-CD2 3.82Å; L436-L471 HydrophobicContact CB-CD1 4.06Å; A437-L471 HydrophobicContact CB-CB 4.01Å; R467-L471 HydrophobicContact CG-CD1 4.01Å; R467-L471 HydrophobicContact CG-CG 4.44Å; R467-L471 WeakPolarHBondContact O-CG 3.42Å; R467-L471 PolarHBondContact O-N 3.12Å; P468-L471 PolarHBondContact O-N 3.05Å; T469-L471 VanDerWaalsContact C-N 3.35Å; T469-L471 PolarHBondContact O-N 2.87Å; L471-L474 PolarHBondContact O-N 3.48Å; L471-A475 WeakPolarHBondContact O-CB 3.29Å; L471-A475 PolarHBondContact O-N 3.45Å
472	K	93.1	Very high	87.8	Confident	120 Å²	120	59.7 Å²	59.7	52%	0.522	33%	0.326	S	S	.	.	H	α-helix	trans	-62.6	-41.1	173.4	-75.4	178	-179.6	-175	0	112.2	A437 P468 T469 A475 G476	A437-K472 HydrophobicContact CB-CG 3.86Å; P468-K472 WeakPolarHBondContact O-CB 3.17Å; P468-K472 WeakPolarHBondContact O-CG 3.21Å; P468-K472 PolarHBondContact O-N 2.82Å; T469-K472 PolarHBondContact O-N 3.11Å; K472-A475 WeakPolarHBondContact O-CB 3.2Å; K472-A475 PolarHBondContact O-N 3.34Å; K472-G476 PolarHBondContact O-N 3.5Å
473	S	92.3	Very high	89.1	Confident	78 Å²	78	58.1 Å²	58.1	55%	0.545	32%	0.315	S	S	.	.	H	α-helix	trans	-63.7	-41.3	174.6	-62.2	0	0	0	0	111.9	T469 V470 G476 G477	T469-S473 PolarHBondContact O-N 2.88Å; T469-S473 PolarHBondContact O-OG 2.94Å; V470-S473 PolarHBondContact O-N 3.43Å; S473-G476 PolarHBondContact O-N 2.89Å; S473-G477 PolarHBondContact O-N 3.4Å
474	L	93.9	Very high	90.2	Very high	39 Å²	39	55.5 Å²	55.5	20%	0.204	31%	0.308	C	S	.	.	H	α-helix	trans	-64	-42.7	175.5	-171	65.4	0	0	0	111.6	L433 V470 L471 G476 G477 W478	L433-L474 HydrophobicContact CD1-CB 4.2Å; L433-L474 HydrophobicContact CD1-CD2 3.84Å; L433-L474 HydrophobicContact CD1-CG 3.79Å; L433-L474 HydrophobicContact CD2-CD2 3.97Å; V470-L474 PolarHBondContact O-N 3.39Å; L471-L474 PolarHBondContact O-N 3.48Å; L474-G476 VanDerWaalsContact C-N 3.28Å; L474-G476 PolarHBondContact O-N 2.94Å; L474-G477 PolarHBondContact O-N 3.27Å; L474-W478 PolarHBondContact O-N 3.43Å
475	A	94.8	Very high	90.9	Very high	4 Å²	4	54.9 Å²	54.9	3%	0.033	30%	0.299	C	S	.	.	H	α-helix	trans	-58.6	-40.3	172.2	0	0	0	0	0	111.7	L430 L433 Q434 L471 K472 G477 W478 H479	L430-A475 HydrophobicContact CD1-CB 3.94Å; L430-A475 WeakPolarHBondContact CD1-O 3.22Å; L433-A475 HydrophobicContact CB-CB 3.93Å; L433-A475 HydrophobicContact CD1-CB 4.46Å; Q434-A475 HydrophobicContact CG-CB 4.3Å; L471-A475 WeakPolarHBondContact O-CB 3.29Å; L471-A475 PolarHBondContact O-N 3.45Å; K472-A475 WeakPolarHBondContact O-CB 3.2Å; K472-A475 PolarHBondContact O-N 3.34Å; A475-G477 VanDerWaalsContact C-N 3.29Å; A475-G477 PolarHBondContact O-N 3.42Å; A475-W478 PolarHBondContact O-N 3.42Å; A475-H479 PolarHBondContact O-N 2.77Å
476	G	93.8	Very high	91.2	Very high	31 Å²	31	50.5 Å²	50.5	32%	0.32	27%	0.272	S	S	.	.	H	α-helix	trans	-55.2	-41.6	174.5	0	0	0	0	0	113.1	K472 S473 L474 H479 E480	K472-G476 PolarHBondContact O-N 3.5Å; S473-G476 PolarHBondContact O-N 2.89Å; L474-G476 VanDerWaalsContact C-N 3.28Å; L474-G476 PolarHBondContact O-N 2.94Å; G476-H479 WeakPolarHBondContact O-CB 3.41Å; G476-H479 PolarHBondContact O-N 3.32Å; G476-E480 WeakPolarHBondContact O-CG 3.27Å; G476-E480 PolarHBondContact O-N 3.34Å
477	G	92.8	Very high	91.3	Very high	39 Å²	39	45.2 Å²	45.2	40%	0.402	26%	0.257	S	S	.	.	H	α-helix	trans	-61.9	-43.4	176.1	0	0	0	0	0	113.4	S473 L474 A475 H479 E480 F481	S473-G477 PolarHBondContact O-N 3.4Å; L474-G477 PolarHBondContact O-N 3.27Å; A475-G477 VanDerWaalsContact C-N 3.29Å; A475-G477 PolarHBondContact O-N 3.42Å; G477-H479 VanDerWaalsContact C-N 3.34Å; G477-H479 PolarHBondContact O-N 2.9Å; G477-E480 PolarHBondContact O-N 3.01Å; G477-F481 PolarHBondContact O-N 3.43Å
478	W	94.4	Very high	91.3	Very high	29 Å²	29	48.2 Å²	48.2	11%	0.11	28%	0.279	C	S	.	.	H	α-helix	trans	-63.6	-40.6	174.4	-64.8	110.2	0	0	0	112.3	L5 E426 C429 L430 L433 L474 A475 F481 L482 W556	L5-W478 HydrophobicContact CD1-CZ2 4.29Å; E426-W478 HydrophobicContact CB-CE3 3.81Å; E426-W478 HydrophobicContact CB-CZ3 4.18Å; E426-W478 HydrophobicContact CG-CE3 3.58Å; E426-W478 HydrophobicContact CG-CZ3 3.46Å; E426-W478 VanDerWaalsContact CG-CZ3 3.46Å; C429-W478 HydrophobicContact CB-CD2 4.11Å; C429-W478 HydrophobicContact CB-CG 4.37Å; C429-W478 HydrophobicContact CB-CZ2 4.29Å; L430-W478 HydrophobicContact CB-CB 4.1Å; L433-W478 VanDerWaalsContact CD1-CD1 3.47Å; L474-W478 PolarHBondContact O-N 3.43Å; A475-W478 PolarHBondContact O-N 3.42Å; W478-F481 WeakPolarHBondContact O-CB 3.35Å; W478-F481 PolarHBondContact O-N 2.97Å; W478-L482 WeakPolarHBondContact O-CG 3.41Å; W478-L482 PolarHBondContact O-N 2.81Å; W478-W556 HydrophobicContact CH2-CB 4.47Å; W478-W556 AromaticContact CH2-CD1 3.63Å; W478-W556 AromaticContact CH2-CD2 3.59Å; W478-W556 HydrophobicContact CH2-CD2 3.59Å; W478-W556 AromaticContact CH2-CE2 3.43Å; W478-W556 VanDerWaalsContact CH2-CE2 3.43Å; W478-W556 HydrophobicContact CH2-CE3 4.25Å; W478-W556 AromaticContact CH2-CG 3.7Å; W478-W556 HydrophobicContact CH2-CG 3.7Å; W478-W556 AromaticContact CH2-CZ2 3.92Å; W478-W556 HydrophobicContact CH2-CZ2 3.92Å; W478-W556 AromaticContact CH2-NE1 3.48Å; W478-W556 HydrophobicContact CZ2-CD2 4.42Å; W478-W556 HydrophobicContact CZ3-CD2 4.43Å; W478-W556 AromaticContact CZ3-CE2 3.82Å; W478-W556 HydrophobicContact CZ3-CZ2 4.09Å; W478-W556 AromaticContact CZ3-NE1 3.65Å
479	H	93.6	Very high	90.7	Very high	24 Å²	24	50.8 Å²	50.8	11%	0.111	29%	0.294	C	S	.	.	H	α-helix	trans	-65	-40.6	178.1	-174.4	-87.6	0	0	0	112.1	L430 A475 G476 G477 S483 R499	L430-H479 HydrophobicContact CD1-CB 4.1Å; L430-H479 HydrophobicContact CD2-CB 4.17Å; A475-H479 PolarHBondContact O-N 2.77Å; G476-H479 WeakPolarHBondContact O-CB 3.41Å; G476-H479 PolarHBondContact O-N 3.32Å; G477-H479 VanDerWaalsContact C-N 3.34Å; G477-H479 PolarHBondContact O-N 2.9Å; H479-S483 VanDerWaalsContact O-CB 3.31Å; H479-S483 WeakPolarHBondContact O-CB 3.16Å; H479-S483 PolarHBondContact O-N 3.5Å; H479-R499 WeakPolarHBondContact CE1-CG 3.35Å
480	E	92.9	Very high	89.7	Confident	115 Å²	115	51.1 Å²	51.1	54%	0.537	31%	0.305	S	S	.	.	H	α-helix	trans	-63.5	-43.3	173.4	-75.5	-178.8	173.2	0	0	112.2	G476 G477 S483 A484 R499	G476-E480 WeakPolarHBondContact O-CG 3.27Å; G476-E480 PolarHBondContact O-N 3.34Å; G477-E480 PolarHBondContact O-N 3.01Å; E480-S483 PolarHBondContact O-N 3.4Å; E480-A484 WeakPolarHBondContact O-CB 3.35Å; E480-A484 PolarHBondContact O-N 3.26Å; E480-R499 IonicContact OE1-NH2 2.7Å
481	F	92	Very high	88.8	Confident	90 Å²	90	50.6 Å²	50.6	40%	0.395	30%	0.302	S	S	.	.	H	α-helix	trans	-58.5	-50.5	175.1	173	-100.8	0	0	0	112.1	E426 G477 W478 S483 A484 I485	E426-F481 HydrophobicContact CB-CD1 4.2Å; E426-F481 HydrophobicContact CB-CE1 4.18Å; E426-F481 HydrophobicContact CG-CD1 3.88Å; E426-F481 HydrophobicContact CG-CE1 3.54Å; G477-F481 PolarHBondContact O-N 3.43Å; W478-F481 WeakPolarHBondContact O-CB 3.35Å; W478-F481 PolarHBondContact O-N 2.97Å; F481-S483 PolarHBondContact O-N 2.93Å; F481-A484 PolarHBondContact O-N 2.96Å; F481-I485 HydrophobicContact CD1-CD1 3.77Å; F481-I485 HydrophobicContact CD2-CD1 4.42Å; F481-I485 HydrophobicContact CE1-CD1 3.22Å; F481-I485 HydrophobicContact CE1-CG1 4.43Å; F481-I485 HydrophobicContact CE2-CD1 3.96Å; F481-I485 HydrophobicContact CG-CD1 4.36Å; F481-I485 HydrophobicContact CZ-CD1 3.36Å; F481-I485 HydrophobicContact CZ-CG1 4.35Å; F481-I485 WeakPolarHBondContact O-CG1 2.87Å; F481-I485 PolarHBondContact O-N 2.93Å
482	L	91.5	Very high	88	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.005	30%	0.303	C	S	.	.	H	α-helix	trans	-62.5	-43.2	178.3	-70.8	172.1	0	0	0	111.8	E426 F427 L430 W478 A484 I485 M486 I502 F531	E426-L482 HydrophobicContact CB-CD2 3.99Å; E426-L482 HydrophobicContact CB-CG 4.33Å; F427-L482 HydrophobicContact CB-CD1 4.03Å; F427-L482 HydrophobicContact CD2-CD1 4.4Å; L430-L482 HydrophobicContact CD2-CD1 3.94Å; W478-L482 WeakPolarHBondContact O-CG 3.41Å; W478-L482 PolarHBondContact O-N 2.81Å; L482-A484 VanDerWaalsContact C-N 3.31Å; L482-A484 PolarHBondContact O-N 2.96Å; L482-I485 PolarHBondContact O-N 3.14Å; L482-M486 VanDerWaalsContact O-CG 3.32Å; L482-M486 WeakPolarHBondContact O-CG 3.29Å; L482-M486 PolarHBondContact O-N 3.13Å; L482-I502 HydrophobicContact CB-CD1 3.65Å; L482-I502 HydrophobicContact CB-CG1 4.39Å; L482-I502 HydrophobicContact CD1-CG2 4.49Å; L482-F531 HydrophobicContact CD1-CE2 4.45Å; L482-F531 HydrophobicContact CD1-CZ 4.16Å; L482-F531 HydrophobicContact CD2-CD2 4.43Å; L482-F531 HydrophobicContact CD2-CE2 3.73Å; L482-F531 HydrophobicContact CD2-CZ 4.23Å
483	S	91.4	Very high	87.3	Confident	7 Å²	7	50.7 Å²	50.7	5%	0.049	31%	0.314	C	S	.	.	H	α-helix	trans	-60.8	-40.8	176.4	-179.7	0	0	0	0	111.8	H479 E480 F481 M486 C487	H479-S483 VanDerWaalsContact O-CB 3.31Å; H479-S483 WeakPolarHBondContact O-CB 3.16Å; H479-S483 PolarHBondContact O-N 3.5Å; E480-S483 PolarHBondContact O-N 3.4Å; F481-S483 PolarHBondContact O-N 2.93Å; S483-M486 PolarHBondContact O-N 3.34Å; S483-C487 PolarHBondContact O-N 3.35Å; S483-C487 VanDerWaalsContact O-N 3.12Å; S483-C487 PolarHBondContact O-SG 3.5Å; S483-C487 VanDerWaalsContact O-SG 3.32Å
484	A	90.8	Very high	87	Confident	47 Å²	47	49.2 Å²	49.2	39%	0.388	30%	0.304	S	S	.	.	H	α-helix	trans	-65.5	-41.8	177.6	0	0	0	0	0	111.6	E480 F481 L482 C487 N488	E480-A484 WeakPolarHBondContact O-CB 3.35Å; E480-A484 PolarHBondContact O-N 3.26Å; F481-A484 PolarHBondContact O-N 2.96Å; L482-A484 VanDerWaalsContact C-N 3.31Å; L482-A484 PolarHBondContact O-N 2.96Å; A484-C487 PolarHBondContact O-N 2.99Å; A484-N488 WeakPolarHBondContact O-CB 3.43Å; A484-N488 PolarHBondContact O-N 3.48Å; A484-N488 PolarHBondContact O-ND2 3.37Å
485	I	87.5	Confident	86.6	Confident	57 Å²	57	49.7 Å²	49.7	29%	0.292	31%	0.314	S	S	.	.	H	α-helix	trans	-57.4	-52.1	174.4	-70.7	169.1	0	0	0	110.3	F481 L482 C487 N488 T489	F481-I485 HydrophobicContact CD1-CD1 3.77Å; F481-I485 HydrophobicContact CD2-CD1 4.42Å; F481-I485 HydrophobicContact CE1-CD1 3.22Å; F481-I485 HydrophobicContact CE1-CG1 4.43Å; F481-I485 HydrophobicContact CE2-CD1 3.96Å; F481-I485 HydrophobicContact CG-CD1 4.36Å; F481-I485 HydrophobicContact CZ-CD1 3.36Å; F481-I485 HydrophobicContact CZ-CG1 4.35Å; F481-I485 WeakPolarHBondContact O-CG1 2.87Å; F481-I485 PolarHBondContact O-N 2.93Å; L482-I485 PolarHBondContact O-N 3.14Å; I485-C487 VanDerWaalsContact C-N 3.29Å; I485-C487 PolarHBondContact O-N 3.3Å; I485-N488 PolarHBondContact O-N 3.21Å; I485-N488 VanDerWaalsContact O-N 3.09Å; I485-T489 HydrophobicContact CG2-CG2 4.22Å; I485-T489 WeakPolarHBondContact O-CG2 3.35Å; I485-T489 PolarHBondContact O-N 2.93Å; I485-T489 PolarHBondContact O-OG1 3.46Å; I485-T489 VanDerWaalsContact O-OG1 3.13Å
486	M	84.3	Confident	86.3	Confident	2 Å²	2	54.6 Å²	54.6	1%	0.01	34%	0.343	C	S	.	.	H	α-helix	trans	-62.1	-34.3	-176.1	-69.8	179.8	86.1	0	0	113.5	L482 S483 T489 T491 H492 A498 F501 I502 F531	L482-M486 VanDerWaalsContact O-CG 3.32Å; L482-M486 WeakPolarHBondContact O-CG 3.29Å; L482-M486 PolarHBondContact O-N 3.13Å; S483-M486 PolarHBondContact O-N 3.34Å; M486-T489 PolarHBondContact O-OG1 3.34Å; M486-T491 PolarHBondContact O-N 3.31Å; M486-H492 WeakPolarHBondContact CE-CD2 3.49Å; M486-H492 WeakPolarHBondContact CE-NE2 3.41Å; M486-H492 PolarHBondContact O-N 2.65Å; M486-A498 HydrophobicContact CB-CB 3.9Å; M486-A498 HydrophobicContact SD-CB 4.19Å; M486-F501 HydrophobicContact CE-CB 4.24Å; M486-F501 HydrophobicContact CE-CD1 3.28Å; M486-F501 HydrophobicContact CE-CE1 3.83Å; M486-F501 HydrophobicContact CE-CG 3.93Å; M486-F501 HydrophobicContact SD-CD1 4.39Å; M486-I502 HydrophobicContact SD-CD1 3.65Å; M486-I502 HydrophobicContact SD-CG1 3.51Å; M486-I502 VanDerWaalsContact SD-CG1 3.51Å; M486-F531 HydrophobicContact CE-CB 4.07Å; M486-F531 HydrophobicContact CE-CD1 3.84Å; M486-F531 HydrophobicContact CE-CG 4.32Å; M486-F531 HydrophobicContact CG-CB 4.23Å; M486-F531 HydrophobicContact CG-CG 4.45Å; M486-F531 HydrophobicContact SD-CB 4.37Å; M486-F531 HydrophobicContact SD-CD1 3.79Å; M486-F531 HydrophobicContact SD-CE1 4.39Å; M486-F531 HydrophobicContact SD-CG 4.21Å
487	C	86	Confident	86	Confident	41 Å²	41	57.2 Å²	57.2	28%	0.277	35%	0.347	S	S	.	.	H	α-helix	trans	-71.9	-42.3	173.2	-68.1	0	0	0	0	111.7	S483 A484 I485 T489 A490	S483-C487 PolarHBondContact O-N 3.35Å; S483-C487 VanDerWaalsContact O-N 3.12Å; S483-C487 PolarHBondContact O-SG 3.5Å; S483-C487 VanDerWaalsContact O-SG 3.32Å; A484-C487 PolarHBondContact O-N 2.99Å; I485-C487 VanDerWaalsContact C-N 3.29Å; I485-C487 PolarHBondContact O-N 3.3Å; C487-T489 VanDerWaalsContact C-N 3.32Å; C487-T489 PolarHBondContact O-N 3.47Å; C487-A490 PolarHBondContact O-N 3.04Å; C487-A490 VanDerWaalsContact O-N 3.11Å
488	N	86.6	Confident	85.8	Confident	140 Å²	140	55.3 Å²	55.3	75%	0.749	33%	0.328	S	S	*	.	H	α-helix	trans	-69.5	-29	-178.6	-71.4	-17.2	0	0	0	113	A484 I485 A490	A484-N488 WeakPolarHBondContact O-CB 3.43Å; A484-N488 PolarHBondContact O-N 3.48Å; A484-N488 PolarHBondContact O-ND2 3.37Å; I485-N488 PolarHBondContact O-N 3.21Å; I485-N488 VanDerWaalsContact O-N 3.09Å; N488-A490 PolarHBondContact O-N 2.89Å
489	T	77.5	Confident	85.6	Confident	65 Å²	65	59 Å²	59	40%	0.399	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	5.3	173.7	56.5	0	0	0	0	113	I485 M486 C487 T491	I485-T489 HydrophobicContact CG2-CG2 4.22Å; I485-T489 WeakPolarHBondContact O-CG2 3.35Å; I485-T489 PolarHBondContact O-N 2.93Å; I485-T489 PolarHBondContact O-OG1 3.46Å; I485-T489 VanDerWaalsContact O-OG1 3.13Å; M486-T489 PolarHBondContact O-OG1 3.34Å; C487-T489 VanDerWaalsContact C-N 3.32Å; C487-T489 PolarHBondContact O-N 3.47Å; T489-T491 WeakPolarHBondContact CB-OG1 3.48Å; T489-T491 PolarHBondContact O-N 3.42Å; T489-T491 PolarHBondContact O-OG1 3.26Å; T489-T491 PolarHBondContact OG1-OG1 3.41Å
490	A	69.9	Low	85.5	Confident	88 Å²	88	62 Å²	62	73%	0.727	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	22	-174.2	0	0	0	0	0	113.7	C487 N488	C487-A490 PolarHBondContact O-N 3.04Å; C487-A490 VanDerWaalsContact O-N 3.11Å; N488-A490 PolarHBondContact O-N 2.89Å
491	T	71.6	Confident	85.3	Confident	36 Å²	36	58.2 Å²	58.2	22%	0.221	34%	0.343	C	S	.	.	S	Bend	trans	-76.3	-31.5	-179.9	-49.9	0	0	0	0	110.7	M486 T489	M486-T491 PolarHBondContact O-N 3.31Å; T489-T491 WeakPolarHBondContact CB-OG1 3.48Å; T489-T491 PolarHBondContact O-N 3.42Å; T489-T491 PolarHBondContact O-OG1 3.26Å; T489-T491 PolarHBondContact OG1-OG1 3.41Å
492	H	78.3	Confident	85.2	Confident	13 Å²	13	53.9 Å²	53.9	6%	0.06	33%	0.325	C	S	.	.	S	Bend	trans	-128.6	136.1	170.2	-64	-81.2	0	0	0	111.5	M486 S494 E497 A498	M486-H492 WeakPolarHBondContact CE-CD2 3.49Å; M486-H492 WeakPolarHBondContact CE-NE2 3.41Å; M486-H492 PolarHBondContact O-N 2.65Å; H492-S494 VanDerWaalsContact C-N 3.27Å; H492-S494 PolarHBondContact O-N 3.24Å; H492-E497 HydrophobicContact CB-CB 4.44Å; H492-E497 HydrophobicContact CB-CG 4.45Å; H492-E497 IonicContact CE1-OE1 3.84Å; H492-E497 IonicContact CG-OE1 3.87Å; H492-E497 IonicContact ND1-OE1 2.89Å; H492-E497 PolarHBondContact ND1-OE1 2.93Å; H492-A498 HydrophobicContact CB-CB 4.23Å
493	P	76.9	Confident	85.2	Confident	118 Å²	118	57.7 Å²	57.7	77%	0.766	34%	0.342	S	S	*	.	S	Bend	trans	-72.6	-14.8	-177.6	29.7	-37.2	0	0	0	113.9	E497	P493-E497 WeakPolarHBondContact CD-OE2 3.32Å; P493-E497 WeakPolarHBondContact CG-OE2 3.4Å
494	S	85.7	Confident	85.2	Confident	48 Å²	48	63 Å²	63	34%	0.336	37%	0.367	S	S	.	.	S	Bend	trans	-142.4	151.3	-179.2	77.5	0	0	0	0	113.4	H492 V496 E497 A498	H492-S494 VanDerWaalsContact C-N 3.27Å; H492-S494 PolarHBondContact O-N 3.24Å; S494-V496 VanDerWaalsContact C-N 3.25Å; S494-V496 PolarHBondContact O-N 3.14Å; S494-E497 PolarHBondContact O-N 3.17Å; S494-E497 WeakPolarHBondContact OG-CB 3.41Å; S494-E497 PolarHBondContact OG-N 3.46Å; S494-A498 PolarHBondContact O-N 2.88Å; S494-A498 VanDerWaalsContact O-N 3.1Å
495	A	86.4	Confident	85.1	Confident	49 Å²	49	61.8 Å²	61.8	41%	0.405	35%	0.353	S	S	.	.	H	α-helix	trans	-62	-33.7	174.5	0	0	0	0	0	112.1	A498 R499	A495-A498 PolarHBondContact O-N 3.19Å; A495-R499 WeakPolarHBondContact O-CB 3.31Å; A495-R499 WeakPolarHBondContact O-CG 3.28Å; A495-R499 PolarHBondContact O-N 2.88Å
496	V	88.6	Confident	85.3	Confident	107 Å²	107	59.1 Å²	59.1	65%	0.648	34%	0.339	S	S	*	.	H	α-helix	trans	-65.5	-42.4	179	178.8	0	0	0	0	110.9	S494 R499 T500	S494-V496 VanDerWaalsContact C-N 3.25Å; S494-V496 PolarHBondContact O-N 3.14Å; V496-R499 PolarHBondContact O-N 2.99Å; V496-T500 WeakPolarHBondContact O-CB 3.32Å; V496-T500 PolarHBondContact O-N 3.26Å; V496-T500 PolarHBondContact O-OG1 2.95Å
497	E	87.8	Confident	85.6	Confident	85 Å²	85	63 Å²	63	40%	0.397	36%	0.357	S	S	.	.	H	α-helix	trans	-65.8	-47.1	177.7	-169.3	-176.1	147.1	0	0	111.4	H492 P493 S494 R499 T500 F501	H492-E497 HydrophobicContact CB-CB 4.44Å; H492-E497 HydrophobicContact CB-CG 4.45Å; H492-E497 IonicContact CE1-OE1 3.84Å; H492-E497 IonicContact CG-OE1 3.87Å; H492-E497 IonicContact ND1-OE1 2.89Å; H492-E497 PolarHBondContact ND1-OE1 2.93Å; P493-E497 WeakPolarHBondContact CD-OE2 3.32Å; P493-E497 WeakPolarHBondContact CG-OE2 3.4Å; S494-E497 PolarHBondContact O-N 3.17Å; S494-E497 WeakPolarHBondContact OG-CB 3.41Å; S494-E497 PolarHBondContact OG-N 3.46Å; E497-R499 VanDerWaalsContact C-N 3.32Å; E497-R499 PolarHBondContact O-N 3.49Å; E497-T500 PolarHBondContact O-N 3.19Å; E497-F501 WeakPolarHBondContact O-CB 3.46Å; E497-F501 PolarHBondContact O-N 3.35Å
498	A	88.4	Confident	85.8	Confident	0 Å²	0	64 Å²	64	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-56.7	-45.9	175.4	0	0	0	0	0	111.7	M486 H492 S494 A495 T500 F501 I502	M486-A498 HydrophobicContact CB-CB 3.9Å; M486-A498 HydrophobicContact SD-CB 4.19Å; H492-A498 HydrophobicContact CB-CB 4.23Å; S494-A498 PolarHBondContact O-N 2.88Å; S494-A498 VanDerWaalsContact O-N 3.1Å; A495-A498 PolarHBondContact O-N 3.19Å; A498-T500 PolarHBondContact O-N 3.34Å; A498-F501 PolarHBondContact O-N 3.37Å; A498-I502 WeakPolarHBondContact O-CD1 3.41Å; A498-I502 WeakPolarHBondContact O-CG1 3.47Å; A498-I502 PolarHBondContact O-N 3.29Å
499	R	90.6	Very high	85.9	Confident	105 Å²	105	57.3 Å²	57.3	40%	0.396	32%	0.324	S	S	.	.	H	α-helix	trans	-62.4	-41.9	177.1	-71.9	-179.1	175.4	-138.4	-2.4	112.5	H479 E480 A495 V496 E497 I502 Q503	H479-R499 WeakPolarHBondContact CE1-CG 3.35Å; E480-R499 IonicContact OE1-NH2 2.7Å; A495-R499 WeakPolarHBondContact O-CB 3.31Å; A495-R499 WeakPolarHBondContact O-CG 3.28Å; A495-R499 PolarHBondContact O-N 2.88Å; V496-R499 PolarHBondContact O-N 2.99Å; E497-R499 VanDerWaalsContact C-N 3.32Å; E497-R499 PolarHBondContact O-N 3.49Å; R499-I502 PolarHBondContact O-N 3.4Å; R499-Q503 WeakPolarHBondContact O-CB 3.36Å; R499-Q503 PolarHBondContact O-N 3.02Å
500	T	90.3	Very high	86.4	Confident	87 Å²	87	55.8 Å²	55.8	53%	0.534	31%	0.313	S	S	.	.	H	α-helix	trans	-66	-41.9	179	-52	0	0	0	0	110.8	V496 E497 A498 Q503 Q504	V496-T500 WeakPolarHBondContact O-CB 3.32Å; V496-T500 PolarHBondContact O-N 3.26Å; V496-T500 PolarHBondContact O-OG1 2.95Å; E497-T500 PolarHBondContact O-N 3.19Å; A498-T500 PolarHBondContact O-N 3.34Å; T500-Q503 PolarHBondContact O-N 3.25Å; T500-Q504 PolarHBondContact O-N 3.01Å
501	F	88.8	Confident	87.3	Confident	36 Å²	36	56.9 Å²	56.9	16%	0.158	31%	0.306	C	S	.	.	H	α-helix	trans	-61.7	-48.8	175.6	-174.8	-88.5	0	0	0	111.9	M486 E497 A498 Q503 Q504 H505 F531	M486-F501 HydrophobicContact CE-CB 4.24Å; M486-F501 HydrophobicContact CE-CD1 3.28Å; M486-F501 HydrophobicContact CE-CE1 3.83Å; M486-F501 HydrophobicContact CE-CG 3.93Å; M486-F501 HydrophobicContact SD-CD1 4.39Å; E497-F501 WeakPolarHBondContact O-CB 3.46Å; E497-F501 PolarHBondContact O-N 3.35Å; A498-F501 PolarHBondContact O-N 3.37Å; F501-Q503 VanDerWaalsContact C-N 3.33Å; F501-Q503 PolarHBondContact O-N 3.48Å; F501-Q504 PolarHBondContact O-N 3.45Å; F501-H505 AromaticContact CD1-CD2 3.83Å; F501-H505 AromaticContact CE1-CD2 3.41Å; F501-H505 VanDerWaalsContact CE1-CD2 3.41Å; F501-H505 WeakPolarHBondContact CE1-CD2 3.49Å; F501-H505 AromaticContact CE1-NE2 3.52Å; F501-H505 AromaticContact CE2-CD2 3.99Å; F501-H505 AromaticContact CE2-NE2 3.66Å; F501-H505 AromaticContact CZ-CD2 3.51Å; F501-H505 AromaticContact CZ-NE2 3.14Å; F501-H505 WeakPolarHBondContact CZ-NE2 3.35Å; F501-H505 PolarHBondContact O-CD2 3.27Å; F501-H505 PolarHBondContact O-N 2.91Å; F501-F531 HydrophobicContact CD1-CD1 4.05Å; F501-F531 AromaticContact CE1-CD1 3.78Å; F501-F531 HydrophobicContact CE1-CD1 3.78Å; F501-F531 HydrophobicContact CE1-CE1 4.45Å
502	I	90.7	Very high	88	Confident	0 Å²	0	58 Å²	58	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-57.4	-49.3	175.8	-67	160.1	0	0	0	109.7	L430 L482 M486 A498 R499 Q504 H505 V506 F531	L430-I502 HydrophobicContact CD2-CG2 3.59Å; L482-I502 HydrophobicContact CB-CD1 3.65Å; L482-I502 HydrophobicContact CB-CG1 4.39Å; L482-I502 HydrophobicContact CD1-CG2 4.49Å; M486-I502 HydrophobicContact SD-CD1 3.65Å; M486-I502 HydrophobicContact SD-CG1 3.51Å; M486-I502 VanDerWaalsContact SD-CG1 3.51Å; A498-I502 WeakPolarHBondContact O-CD1 3.41Å; A498-I502 WeakPolarHBondContact O-CG1 3.47Å; A498-I502 PolarHBondContact O-N 3.29Å; R499-I502 PolarHBondContact O-N 3.4Å; I502-Q504 VanDerWaalsContact C-N 3.3Å; I502-Q504 PolarHBondContact O-N 2.9Å; I502-H505 PolarHBondContact O-N 3.39Å; I502-H505 VanDerWaalsContact O-N 3.15Å; I502-V506 HydrophobicContact CG2-CG2 4.09Å; I502-V506 WeakPolarHBondContact O-CG2 3.48Å; I502-V506 PolarHBondContact O-N 3.22Å; I502-F531 HydrophobicContact CG1-CE1 4Å
503	Q	92.1	Very high	88.3	Confident	81 Å²	81	60.8 Å²	60.8	38%	0.379	35%	0.348	S	S	.	.	H	α-helix	trans	-60.5	-39	-178.5	-172.1	60.6	40.5	0	0	112.4	R499 T500 F501 V506 Q507	R499-Q503 WeakPolarHBondContact O-CB 3.36Å; R499-Q503 PolarHBondContact O-N 3.02Å; T500-Q503 PolarHBondContact O-N 3.25Å; F501-Q503 VanDerWaalsContact C-N 3.33Å; F501-Q503 PolarHBondContact O-N 3.48Å; Q503-V506 PolarHBondContact O-N 2.98Å; Q503-Q507 PolarHBondContact O-N 3.05Å
504	Q	90.3	Very high	88.8	Confident	119 Å²	119	56.9 Å²	56.9	56%	0.556	32%	0.324	S	S	*	.	H	α-helix	trans	-62.9	-46.9	175.1	-176.7	176.4	4.1	0	0	111.5	T500 F501 I502 V506 Q507 N508	T500-Q504 PolarHBondContact O-N 3.01Å; F501-Q504 PolarHBondContact O-N 3.45Å; I502-Q504 VanDerWaalsContact C-N 3.3Å; I502-Q504 PolarHBondContact O-N 2.9Å; Q504-V506 VanDerWaalsContact C-N 3.34Å; Q504-V506 PolarHBondContact O-N 2.98Å; Q504-Q507 PolarHBondContact O-N 3.21Å; Q504-N508 VanDerWaalsContact O-CG 3.24Å; Q504-N508 PolarHBondContact O-N 3.36Å; Q504-N508 PolarHBondContact O-OD1 2.96Å
505	H	89.4	Confident	89	Confident	21 Å²	21	55.5 Å²	55.5	10%	0.097	31%	0.313	C	S	.	.	H	α-helix	trans	-64.1	-39.1	176.6	-85.8	-97.1	0	0	0	112.1	F427 F501 I502 Q507 N508 A509 Y518	F427-H505 HydrophobicContact CE2-CB 3.8Å; F427-H505 HydrophobicContact CZ-CB 3.8Å; F427-H505 WeakPolarHBondContact CZ-O 3.35Å; F501-H505 AromaticContact CD1-CD2 3.83Å; F501-H505 AromaticContact CE1-CD2 3.41Å; F501-H505 VanDerWaalsContact CE1-CD2 3.41Å; F501-H505 WeakPolarHBondContact CE1-CD2 3.49Å; F501-H505 AromaticContact CE1-NE2 3.52Å; F501-H505 AromaticContact CE2-CD2 3.99Å; F501-H505 AromaticContact CE2-NE2 3.66Å; F501-H505 AromaticContact CZ-CD2 3.51Å; F501-H505 AromaticContact CZ-NE2 3.14Å; F501-H505 WeakPolarHBondContact CZ-NE2 3.35Å; F501-H505 PolarHBondContact O-CD2 3.27Å; F501-H505 PolarHBondContact O-N 2.91Å; I502-H505 PolarHBondContact O-N 3.39Å; I502-H505 VanDerWaalsContact O-N 3.15Å; H505-Q507 VanDerWaalsContact C-N 3.34Å; H505-N508 PolarHBondContact O-N 3.28Å; H505-A509 WeakPolarHBondContact O-CB 3.39Å; H505-A509 PolarHBondContact O-N 3.43Å; H505-Y518 AromaticContact ND1-CE1 3.93Å; H505-Y518 AromaticContact ND1-CZ 3.86Å; H505-Y518 PolarHBondContact ND1-OH 3.19Å
506	V	91.5	Very high	89.1	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-61.6	-44.5	176.3	174.6	0	0	0	0	110.5	F427 L430 I502 Q503 Q504 A509 I510	F427-V506 HydrophobicContact CD2-CG2 4.01Å; F427-V506 HydrophobicContact CE2-CB 4.24Å; F427-V506 HydrophobicContact CE2-CG2 3.4Å; F427-V506 HydrophobicContact CZ-CG2 4.17Å; L430-V506 HydrophobicContact CD2-CG2 3.59Å; L430-V506 HydrophobicContact CG-CG2 3.89Å; I502-V506 HydrophobicContact CG2-CG2 4.09Å; I502-V506 WeakPolarHBondContact O-CG2 3.48Å; I502-V506 PolarHBondContact O-N 3.22Å; Q503-V506 PolarHBondContact O-N 2.98Å; Q504-V506 VanDerWaalsContact C-N 3.34Å; Q504-V506 PolarHBondContact O-N 2.98Å; V506-A509 WeakPolarHBondContact O-CB 3.37Å; V506-A509 PolarHBondContact O-N 3.44Å; V506-I510 HydrophobicContact CG1-CD1 3.75Å; V506-I510 HydrophobicContact CG1-CG1 4.38Å; V506-I510 VanDerWaalsContact O-CG1 3.3Å; V506-I510 WeakPolarHBondContact O-CG1 3.48Å; V506-I510 PolarHBondContact O-N 3.15Å
507	Q	90.8	Very high	89	Confident	83 Å²	83	51.7 Å²	51.7	39%	0.388	29%	0.288	S	S	.	.	H	α-helix	trans	-61.2	-47.1	177.5	-169.6	61.5	52.6	0	0	111.3	Q503 Q504 H505 A509 I510 D511	Q503-Q507 PolarHBondContact O-N 3.05Å; Q504-Q507 PolarHBondContact O-N 3.21Å; H505-Q507 VanDerWaalsContact C-N 3.34Å; Q507-A509 VanDerWaalsContact C-N 3.28Å; Q507-A509 PolarHBondContact O-N 3.22Å; Q507-I510 PolarHBondContact O-N 3.34Å; Q507-I510 VanDerWaalsContact O-N 3.14Å; Q507-D511 PolarHBondContact NE2-OD1 3.03Å; Q507-D511 WeakPolarHBondContact O-CB 3.43Å; Q507-D511 PolarHBondContact O-N 3.46Å
508	N	89.5	Confident	89.1	Confident	63 Å²	63	48.9 Å²	48.9	34%	0.337	28%	0.275	S	S	.	.	H	α-helix	trans	-59	-39.6	176.2	-65.3	-14.3	0	0	0	112.3	Q504 H505 D511 S512 Y518	Q504-N508 VanDerWaalsContact O-CG 3.24Å; Q504-N508 PolarHBondContact O-N 3.36Å; Q504-N508 PolarHBondContact O-OD1 2.96Å; H505-N508 PolarHBondContact O-N 3.28Å; N508-D511 PolarHBondContact O-N 3.2Å; N508-S512 WeakPolarHBondContact O-CB 3.27Å; N508-S512 PolarHBondContact O-N 3.12Å; N508-Y518 HydrophobicContact CB-CE1 4.48Å; N508-Y518 HydrophobicContact CB-CE2 3.65Å; N508-Y518 WeakPolarHBondContact CB-OH 3.45Å; N508-Y518 PolarHBondContact ND2-OH 3.45Å
509	A	89.4	Confident	89.1	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-65.9	-39.2	177.9	0	0	0	0	0	111.8	F427 H505 V506 Q507 S512 P515 Y518	F427-A509 HydrophobicContact CE1-CB 4.1Å; F427-A509 HydrophobicContact CZ-CB 4.03Å; H505-A509 WeakPolarHBondContact O-CB 3.39Å; H505-A509 PolarHBondContact O-N 3.43Å; V506-A509 WeakPolarHBondContact O-CB 3.37Å; V506-A509 PolarHBondContact O-N 3.44Å; Q507-A509 VanDerWaalsContact C-N 3.28Å; Q507-A509 PolarHBondContact O-N 3.22Å; A509-S512 PolarHBondContact O-OG 3.36Å; A509-P515 HydrophobicContact CB-CB 4.22Å; A509-Y518 HydrophobicContact CB-CD1 3.55Å; A509-Y518 HydrophobicContact CB-CE1 4.06Å; A509-Y518 HydrophobicContact CB-CG 3.98Å
510	I	87.7	Confident	88.8	Confident	32 Å²	32	45.6 Å²	45.6	16%	0.164	27%	0.265	C	S	.	.	H	α-helix	trans	-67.8	-46.5	175.2	-66.1	167	0	0	0	110.2	Q434 I435 V506 Q507 S512 G513	Q434-I510 HydrophobicContact CB-CD1 4.48Å; I435-I510 HydrophobicContact CD1-CG1 4.15Å; I435-I510 HydrophobicContact CG1-CD1 4.49Å; I435-I510 HydrophobicContact CG1-CG1 3.98Å; V506-I510 HydrophobicContact CG1-CD1 3.75Å; V506-I510 HydrophobicContact CG1-CG1 4.38Å; V506-I510 VanDerWaalsContact O-CG1 3.3Å; V506-I510 WeakPolarHBondContact O-CG1 3.48Å; V506-I510 PolarHBondContact O-N 3.15Å; Q507-I510 PolarHBondContact O-N 3.34Å; Q507-I510 VanDerWaalsContact O-N 3.14Å; I510-S512 PolarHBondContact O-N 3.07Å; I510-G513 PolarHBondContact O-N 2.96Å
511	D	88.4	Confident	88.5	Confident	111 Å²	111	43.6 Å²	43.6	59%	0.594	25%	0.254	S	S	*	.	H	α-helix	trans	-64	-26.7	-179.5	-65.7	-14.6	0	0	0	112.3	Q507 N508 G513	Q507-D511 PolarHBondContact NE2-OD1 3.03Å; Q507-D511 WeakPolarHBondContact O-CB 3.43Å; Q507-D511 PolarHBondContact O-N 3.46Å; N508-D511 PolarHBondContact O-N 3.2Å; D511-G513 PolarHBondContact O-N 3.35Å
512	S	86.2	Confident	88.1	Confident	60 Å²	60	43.5 Å²	43.5	42%	0.42	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-12.4	175.1	79.8	0	0	0	0	114.3	N508 A509 I510 S514	N508-S512 WeakPolarHBondContact O-CB 3.27Å; N508-S512 PolarHBondContact O-N 3.12Å; A509-S512 PolarHBondContact O-OG 3.36Å; I510-S512 PolarHBondContact O-N 3.07Å; S512-S514 PolarHBondContact O-N 3.46Å; S512-S514 VanDerWaalsContact O-N 3.1Å; S512-S514 PolarHBondContact OG-N 2.94Å; S512-S514 PolarHBondContact OG-O 3.4Å
513	G	84.1	Confident	87.5	Confident	71 Å²	71	43.6 Å²	43.6	73%	0.732	25%	0.254	S	S	*	.	S	Bend	trans	75.5	-17.4	-176	0	0	0	0	0	115.1	I510 D511	I510-G513 PolarHBondContact O-N 2.96Å; D511-G513 PolarHBondContact O-N 3.35Å
514	S	88.7	Confident	86.6	Confident	37 Å²	37	43.6 Å²	43.6	26%	0.259	26%	0.263	S	S	.	.			trans	-140.6	98.4	175.3	176.8	0	0	0	0	111	S512 S516 S517 Y518	S512-S514 PolarHBondContact O-N 3.46Å; S512-S514 VanDerWaalsContact O-N 3.1Å; S512-S514 PolarHBondContact OG-N 2.94Å; S512-S514 PolarHBondContact OG-O 3.4Å; S514-S516 PolarHBondContact O-N 3.01Å; S514-S516 PolarHBondContact OG-OG 3.31Å; S514-S517 PolarHBondContact O-N 3.43Å; S514-S517 VanDerWaalsContact O-N 3.15Å; S514-S517 WeakPolarHBondContact OG-CB 3.45Å; S514-S517 PolarHBondContact OG-N 3.12Å; S514-S517 PolarHBondContact OG-OG 3.13Å; S514-Y518 PolarHBondContact O-N 3.32Å
515	P	89.6	Confident	85.6	Confident	18 Å²	18	44.9 Å²	44.9	12%	0.117	27%	0.267	C	S	.	.	H	α-helix	trans	-57.2	-35.1	179	-28	35.5	0	0	0	113.7	L428 I435 A509 Y518 I519	L428-P515 HydrophobicContact CD1-CB 3.75Å; I435-P515 HydrophobicContact CD1-CG 3.55Å; A509-P515 HydrophobicContact CB-CB 4.22Å; P515-Y518 PolarHBondContact O-N 2.91Å; P515-I519 VanDerWaalsContact O-CD1 3.31Å; P515-I519 WeakPolarHBondContact O-CD1 3.31Å; P515-I519 WeakPolarHBondContact O-CG1 3.34Å; P515-I519 PolarHBondContact O-N 3.44Å
516	S	87.9	Confident	84.2	Confident	24 Å²	24	46 Å²	46	17%	0.168	27%	0.274	C	S	.	.	H	α-helix	trans	-67	-43.5	177.7	55.7	0	0	0	0	111.9	S14 S514 I519 L520	S14-S516 WeakPolarHBondContact OG-CB 3.44Å; S514-S516 PolarHBondContact O-N 3.01Å; S514-S516 PolarHBondContact OG-OG 3.31Å; S516-I519 PolarHBondContact O-N 3.25Å; S516-L520 VanDerWaalsContact O-CG 3.27Å; S516-L520 WeakPolarHBondContact O-CG 3.16Å; S516-L520 PolarHBondContact O-N 2.96Å
517	S	87.1	Confident	82.3	Confident	52 Å²	52	48.6 Å²	48.6	36%	0.364	29%	0.292	S	S	.	.	H	α-helix	trans	-63.7	-41.6	176	-60.1	0	0	0	0	111.8	S514 L520 S521	S514-S517 PolarHBondContact O-N 3.43Å; S514-S517 VanDerWaalsContact O-N 3.15Å; S514-S517 WeakPolarHBondContact OG-CB 3.45Å; S514-S517 PolarHBondContact OG-N 3.12Å; S514-S517 PolarHBondContact OG-OG 3.13Å; S517-L520 PolarHBondContact O-N 3.33Å; S517-S521 WeakPolarHBondContact O-CB 3.46Å; S517-S521 PolarHBondContact O-N 3.09Å
518	Y	89.5	Confident	80.5	Confident	27 Å²	27	45.6 Å²	45.6	11%	0.106	28%	0.28	C	S	.	.	H	α-helix	trans	-57.2	-51.3	174	176.2	-98.8	0	0	0	111.1	F427 H505 N508 A509 S514 P515 L520 S521 E522	F427-Y518 HydrophobicContact CE1-CD1 4.25Å; F427-Y518 HydrophobicContact CE1-CE1 4.3Å; F427-Y518 HydrophobicContact CZ-CE1 4.33Å; H505-Y518 AromaticContact ND1-CE1 3.93Å; H505-Y518 AromaticContact ND1-CZ 3.86Å; H505-Y518 PolarHBondContact ND1-OH 3.19Å; N508-Y518 HydrophobicContact CB-CE1 4.48Å; N508-Y518 HydrophobicContact CB-CE2 3.65Å; N508-Y518 WeakPolarHBondContact CB-OH 3.45Å; N508-Y518 PolarHBondContact ND2-OH 3.45Å; A509-Y518 HydrophobicContact CB-CD1 3.55Å; A509-Y518 HydrophobicContact CB-CE1 4.06Å; A509-Y518 HydrophobicContact CB-CG 3.98Å; S514-Y518 PolarHBondContact O-N 3.32Å; P515-Y518 PolarHBondContact O-N 2.91Å; Y518-L520 PolarHBondContact O-N 3.38Å; Y518-S521 PolarHBondContact O-N 3.45Å; Y518-S521 VanDerWaalsContact O-N 3.15Å; Y518-S521 PolarHBondContact O-OG 3.28Å; Y518-E522 HydrophobicContact CD1-CG 4.34Å; Y518-E522 HydrophobicContact CD2-CG 4.38Å; Y518-E522 HydrophobicContact CE1-CG 3.97Å; Y518-E522 HydrophobicContact CE2-CG 3.99Å; Y518-E522 PolarHBondContact O-N 2.8Å
519	I	87.8	Confident	79	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-59.5	-47.4	179.7	-68.6	163.3	0	0	0	111.4	L15 A424 F427 L428 P515 S516 S521 E522 Y523 V530	L15-I519 HydrophobicContact CD1-CD1 4.28Å; L15-I519 HydrophobicContact CD1-CG2 4.05Å; L15-I519 HydrophobicContact CD2-CB 4.47Å; L15-I519 HydrophobicContact CD2-CG2 4.13Å; A424-I519 HydrophobicContact CB-CG2 4.05Å; F427-I519 HydrophobicContact CD1-CD1 3.46Å; F427-I519 VanDerWaalsContact CD1-CD1 3.46Å; F427-I519 HydrophobicContact CD1-CG1 3.5Å; F427-I519 VanDerWaalsContact CD1-CG1 3.5Å; F427-I519 HydrophobicContact CE1-CD1 3.87Å; F427-I519 HydrophobicContact CE1-CG1 3.59Å; L428-I519 HydrophobicContact CB-CD1 3.56Å; L428-I519 HydrophobicContact CD1-CD1 3.97Å; L428-I519 HydrophobicContact CG-CD1 4.27Å; P515-I519 VanDerWaalsContact O-CD1 3.31Å; P515-I519 WeakPolarHBondContact O-CD1 3.31Å; P515-I519 WeakPolarHBondContact O-CG1 3.34Å; P515-I519 PolarHBondContact O-N 3.44Å; S516-I519 PolarHBondContact O-N 3.25Å; I519-S521 VanDerWaalsContact C-N 3.25Å; I519-S521 PolarHBondContact O-N 3.1Å; I519-E522 PolarHBondContact O-N 3.05Å; I519-Y523 WeakPolarHBondContact O-CB 3.29Å; I519-Y523 PolarHBondContact O-N 3.16Å; I519-V530 HydrophobicContact CG2-CG2 3.95Å
520	L	85.1	Confident	77.4	Confident	36 Å²	36	42.7 Å²	42.7	19%	0.188	27%	0.265	C	S	.	.	H	α-helix	trans	-60.7	-38.4	178.6	-68.6	169.3	0	0	0	111.4	L15 L148 L420 S516 S517 Y518 S524	L15-L520 HydrophobicContact CD2-CD1 4.37Å; L15-L520 HydrophobicContact CD2-CD2 3.73Å; L15-L520 HydrophobicContact CD2-CG 3.76Å; L148-L520 HydrophobicContact CD1-CD2 3.56Å; L420-L520 HydrophobicContact CD1-CD2 3.74Å; S516-L520 VanDerWaalsContact O-CG 3.27Å; S516-L520 WeakPolarHBondContact O-CG 3.16Å; S516-L520 PolarHBondContact O-N 2.96Å; S517-L520 PolarHBondContact O-N 3.33Å; Y518-L520 PolarHBondContact O-N 3.38Å; L520-S524 WeakPolarHBondContact O-CB 3.15Å; L520-S524 PolarHBondContact O-N 2.67Å
521	S	84.1	Confident	75.8	Confident	45 Å²	45	41.8 Å²	41.8	32%	0.315	26%	0.259	S	S	.	.	H	α-helix	trans	-67.7	-44.3	177.7	81	0	0	0	0	112.1	S517 Y518 I519 S524 K525	S517-S521 WeakPolarHBondContact O-CB 3.46Å; S517-S521 PolarHBondContact O-N 3.09Å; Y518-S521 PolarHBondContact O-N 3.45Å; Y518-S521 VanDerWaalsContact O-N 3.15Å; Y518-S521 PolarHBondContact O-OG 3.28Å; I519-S521 VanDerWaalsContact C-N 3.25Å; I519-S521 PolarHBondContact O-N 3.1Å; S521-S524 PolarHBondContact O-N 2.73Å; S521-S524 PolarHBondContact O-OG 2.97Å; S521-K525 WeakPolarHBondContact O-CG 3.44Å; S521-K525 PolarHBondContact O-N 3.38Å
522	E	81.3	Confident	74.2	Confident	33 Å²	33	40.2 Å²	40.2	15%	0.154	25%	0.248	C	C	.	.	H	α-helix	trans	-69.6	-42	178.5	-70.7	-57.7	111	0	0	111.5	Y518 I519 S524 K525 L526	Y518-E522 HydrophobicContact CD1-CG 4.34Å; Y518-E522 HydrophobicContact CD2-CG 4.38Å; Y518-E522 HydrophobicContact CE1-CG 3.97Å; Y518-E522 HydrophobicContact CE2-CG 3.99Å; Y518-E522 PolarHBondContact O-N 2.8Å; I519-E522 PolarHBondContact O-N 3.05Å; E522-S524 PolarHBondContact O-N 3.49Å; E522-K525 WeakPolarHBondContact O-CB 3.32Å; E522-K525 PolarHBondContact O-N 3.25Å; E522-K525 IonicContact OE1-NZ 2.7Å; E522-K525 PolarHBondContact OE1-NZ 2.69Å; E522-L526 PolarHBondContact O-N 2.98Å
523	Y	77.6	Confident	72.3	Confident	2 Å²	2	40.7 Å²	40.7	1%	0.008	25%	0.252	C	S	.	.	H	α-helix	trans	-63.9	-28.1	175.1	-158.1	-75.4	0	0	0	112.1	L420 A424 I519 K525 V530 R544 V545	L420-Y523 HydrophobicContact CB-CD2 4.29Å; L420-Y523 HydrophobicContact CB-CE2 3.98Å; L420-Y523 HydrophobicContact CD1-CD1 4.28Å; L420-Y523 HydrophobicContact CD1-CD2 4.2Å; L420-Y523 HydrophobicContact CD1-CG 4.04Å; L420-Y523 HydrophobicContact CD2-CD1 4.04Å; L420-Y523 HydrophobicContact CD2-CE1 3.79Å; L420-Y523 HydrophobicContact CD2-CE2 4.44Å; A424-Y523 HydrophobicContact CB-CD2 4.11Å; A424-Y523 HydrophobicContact CB-CE2 4.24Å; I519-Y523 WeakPolarHBondContact O-CB 3.29Å; I519-Y523 PolarHBondContact O-N 3.16Å; Y523-K525 VanDerWaalsContact C-N 3.34Å; Y523-V530 HydrophobicContact CD2-CG2 4.27Å; Y523-R544 HydrophobicContact CE1-CB 4.36Å; Y523-R544 HydrophobicContact CE1-CG 4.17Å; Y523-V545 PolarHBondContact OH-N 3.03Å; Y523-V545 VanDerWaalsContact OH-N 3.12Å; Y523-V545 PolarHBondContact OH-O 2.81Å
524	S	72.1	Confident	70.5	Confident	81 Å²	81	40.2 Å²	40.2	57%	0.566	25%	0.247	S	C	*	.	H	α-helix	trans	-74.2	-24.6	174	77.3	0	0	0	0	113.5	L520 S521 E522	L520-S524 WeakPolarHBondContact O-CB 3.15Å; L520-S524 PolarHBondContact O-N 2.67Å; S521-S524 PolarHBondContact O-N 2.73Å; S521-S524 PolarHBondContact O-OG 2.97Å; E522-S524 PolarHBondContact O-N 3.49Å
525	K	70.5	Confident	68.3	Low	146 Å²	146	46.8 Å²	46.8	64%	0.635	28%	0.277	S	S	*	.	H	α-helix	trans	-85.9	-35.5	176.7	-64.1	169	-168.2	168	0	111.7	S521 E522 Y523	S521-K525 WeakPolarHBondContact O-CG 3.44Å; S521-K525 PolarHBondContact O-N 3.38Å; E522-K525 WeakPolarHBondContact O-CB 3.32Å; E522-K525 PolarHBondContact O-N 3.25Å; E522-K525 IonicContact OE1-NZ 2.7Å; E522-K525 PolarHBondContact OE1-NZ 2.69Å; Y523-K525 VanDerWaalsContact C-N 3.34Å
526	L	59.6	Low	65.8	Low	45 Å²	45	49.5 Å²	49.5	24%	0.236	30%	0.297	C	S	.	.	S	Bend	trans	-101.2	105.8	-177.8	-61.8	168.3	0	0	0	108.9	E522 S528 G529	E522-L526 PolarHBondContact O-N 2.98Å; L526-S528 PolarHBondContact O-N 3.31Å; L526-G529 WeakPolarHBondContact CB-O 3.39Å; L526-G529 VanDerWaalsContact CD1-O 3.28Å; L526-G529 WeakPolarHBondContact CD1-O 3.41Å; L526-G529 PolarHBondContact O-N 2.99Å
527	S	52.4	Low	63.4	Low	55 Å²	55	56.2 Å²	56.2	39%	0.385	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-13.6	-178	43.7	0	0	0	0	114.6	V542	S527-V542 WeakPolarHBondContact CB-O 3.46Å; S527-V542 VanDerWaalsContact O-O 3.04Å
528	S	52.8	Low	61.1	Low	20 Å²	20	59.5 Å²	59.5	14%	0.14	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125	3.4	-174.2	55.3	0	0	0	0	116.8	L526 H532	L526-S528 PolarHBondContact O-N 3.31Å; S528-H532 PolarHBondContact O-CD2 3.29Å; S528-H532 WeakPolarHBondContact OG-CB 3.31Å
529	G	57.8	Low	58.7	Low	0 Å²	0	66.4 Å²	66.4	0%	0	38%	0.382	C	S	.	.			trans	125.6	172.3	176.1	0	0	0	0	0	115.2	L526 F531	L526-G529 WeakPolarHBondContact CB-O 3.39Å; L526-G529 VanDerWaalsContact CD1-O 3.28Å; L526-G529 WeakPolarHBondContact CD1-O 3.41Å; L526-G529 PolarHBondContact O-N 2.99Å; G529-F531 PolarHBondContact O-N 3.33Å
530	V	55.3	Low	56.5	Low	1 Å²	1	74.4 Å²	74.4	1%	0.006	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-25.4	-172.5	-176.5	0	0	0	0	113	A424 I519 Y523	A424-V530 HydrophobicContact CB-CG2 4.05Å; I519-V530 HydrophobicContact CG2-CG2 3.95Å; Y523-V530 HydrophobicContact CD2-CG2 4.27Å
531	F	53.9	Low	54.9	Low	13 Å²	13	80.4 Å²	80.4	6%	0.057	45%	0.451	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.4	7.2	-170.2	-57.9	-71	0	0	0	114.8	F427 L482 M486 F501 I502 G529 S533	F427-F531 HydrophobicContact CB-CE2 3.93Å; F427-F531 HydrophobicContact CB-CZ 3.75Å; F427-F531 HydrophobicContact CD2-CE1 4.2Å; F427-F531 AromaticContact CD2-CZ 3.52Å; F427-F531 HydrophobicContact CD2-CZ 3.52Å; F427-F531 HydrophobicContact CE2-CZ 4.29Å; F427-F531 HydrophobicContact CG-CE2 4.36Å; F427-F531 AromaticContact CG-CZ 3.75Å; F427-F531 HydrophobicContact CG-CZ 3.75Å; L482-F531 HydrophobicContact CD1-CE2 4.45Å; L482-F531 HydrophobicContact CD1-CZ 4.16Å; L482-F531 HydrophobicContact CD2-CD2 4.43Å; L482-F531 HydrophobicContact CD2-CE2 3.73Å; L482-F531 HydrophobicContact CD2-CZ 4.23Å; M486-F531 HydrophobicContact CE-CB 4.07Å; M486-F531 HydrophobicContact CE-CD1 3.84Å; M486-F531 HydrophobicContact CE-CG 4.32Å; M486-F531 HydrophobicContact CG-CB 4.23Å; M486-F531 HydrophobicContact CG-CG 4.45Å; M486-F531 HydrophobicContact SD-CB 4.37Å; M486-F531 HydrophobicContact SD-CD1 3.79Å; M486-F531 HydrophobicContact SD-CE1 4.39Å; M486-F531 HydrophobicContact SD-CG 4.21Å; F501-F531 HydrophobicContact CD1-CD1 4.05Å; F501-F531 AromaticContact CE1-CD1 3.78Å; F501-F531 HydrophobicContact CE1-CD1 3.78Å; F501-F531 HydrophobicContact CE1-CE1 4.45Å; I502-F531 HydrophobicContact CG1-CE1 4Å; G529-F531 PolarHBondContact O-N 3.33Å; F531-S533 PolarHBondContact O-N 3.35Å
532	H	54.7	Low	53.6	Low	78 Å²	78	81.5 Å²	81.5	36%	0.361	46%	0.455	S	S	.	.			trans	-97.3	80.5	176.1	-86.8	-60.9	0	0	0	110.9	S528 G534	S528-H532 PolarHBondContact O-CD2 3.29Å; S528-H532 WeakPolarHBondContact OG-CB 3.31Å; H532-G534 PolarHBondContact O-N 3.15Å
533	S	46.8	Very low	52.8	Low	70 Å²	70	82.6 Å²	82.6	49%	0.49	47%	0.465	S	S	.	.			trans	-94.1	72.4	167.3	66.8	0	0	0	0	110	F531	F531-S533 PolarHBondContact O-N 3.35Å
534	G	45.1	Very low	52.9	Low	61 Å²	61	86.1 Å²	86.1	63%	0.629	48%	0.479	S	S	*	.			trans	-134.4	96.7	-178	0	0	0	0	0	112.3	H532 S536	H532-G534 PolarHBondContact O-N 3.15Å; G534-S536 PolarHBondContact O-N 2.84Å
535	I	42.9	Very low	53.7	Low	175 Å²	175	84 Å²	84	90%	0.897	46%	0.463	S	S	*	.			trans	0.2	102.7	160.2	-52.3	165.4	0	0	0	114.9
536	S	37.8	Very low	54.7	Low	76 Å²	76	77.1 Å²	77.1	53%	0.531	43%	0.433	S	S	.	.			trans	-151.1	100.2	149.8	170	0	0	0	0	107.9	G534 N538	G534-S536 PolarHBondContact O-N 2.84Å; S536-N538 PolarHBondContact O-N 3.45Å; S536-N538 VanDerWaalsContact O-N 3.13Å; S536-N538 WeakPolarHBondContact OG-CB 3.32Å; S536-N538 PolarHBondContact OG-N 3.14Å; S536-N538 PolarHBondContact OG-O 2.97Å
537	D	37.4	Very low	56.3	Low	165 Å²	165	76.4 Å²	76.4	88%	0.882	43%	0.429	S	S	*	.			trans	-66.2	2.2	165.2	-76.2	-34	0	0	0	112.2	L539	D537-L539 PolarHBondContact O-N 3.32Å
538	N	38.8	Very low	58.3	Low	120 Å²	120	74.5 Å²	74.5	64%	0.642	42%	0.415	S	S	*	.			trans	-79.5	109.6	167.6	-64.4	-34.1	0	0	0	108.8	S536 E540	S536-N538 PolarHBondContact O-N 3.45Å; S536-N538 VanDerWaalsContact O-N 3.13Å; S536-N538 WeakPolarHBondContact OG-CB 3.32Å; S536-N538 PolarHBondContact OG-N 3.14Å; S536-N538 PolarHBondContact OG-O 2.97Å; N538-E540 PolarHBondContact O-N 2.92Å
539	L	38.5	Very low	60.3	Low	173 Å²	173	73.7 Å²	73.7	91%	0.906	41%	0.409	S	S	*	.			trans	-62.6	32.1	173.3	-147.5	94.9	0	0	0	113.4	D537	D537-L539 PolarHBondContact O-N 3.32Å
540	E	42.2	Very low	62	Low	167 Å²	167	76.7 Å²	76.7	78%	0.78	43%	0.428	S	S	*	.			trans	-84.6	113	166.4	-73	-169.4	161.9	0	0	106.9	N538 V542	N538-E540 PolarHBondContact O-N 2.92Å; E540-V542 PolarHBondContact O-N 3.23Å
541	L	51.9	Low	63.9	Low	162 Å²	162	78.8 Å²	78.8	85%	0.848	44%	0.441	S	S	*	.			trans	-50.3	102.4	179.3	-84.9	92.3	0	0	0	109.8	P543	L541-P543 WeakPolarHBondContact O-CD 3.41Å; L541-P543 VanDerWaalsContact O-N 3.17Å
542	V	56.2	Low	65.9	Low	68 Å²	68	79.2 Å²	79.2	41%	0.412	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-59.2	124.1	165.2	-171.2	0	0	0	0	106.3	S527 E540	S527-V542 WeakPolarHBondContact CB-O 3.46Å; S527-V542 VanDerWaalsContact O-O 3.04Å; E540-V542 PolarHBondContact O-N 3.23Å
543	P	63.8	Low	67.8	Low	56 Å²	56	76.3 Å²	76.3	36%	0.364	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-67	137.8	-176.6	24.4	-32.6	0	0	0	109.8	V158 L541	V158-P543 HydrophobicContact CB-CB 4.19Å; V158-P543 HydrophobicContact CG1-CB 3.34Å; V158-P543 HydrophobicContact CG1-CG 3.3Å; L541-P543 WeakPolarHBondContact O-CD 3.41Å; L541-P543 VanDerWaalsContact O-N 3.17Å
544	R	81.2	Confident	70.1	Confident	76 Å²	76	76 Å²	76	29%	0.287	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-58.9	140.6	177.5	-68.8	177.7	177.8	159.3	1.7	110.3	L148 E155 G159 Y523 Y546	L148-R544 VanDerWaalsContact CD2-NH1 3.34Å; E155-R544 IonicContact OE1-NH1 3.74Å; G159-R544 WeakPolarHBondContact CA-O 3.49Å; Y523-R544 HydrophobicContact CE1-CB 4.36Å; Y523-R544 HydrophobicContact CE1-CG 4.17Å; R544-Y546 HydrophobicContact CB-CE1 4.26Å; R544-Y546 HydrophobicContact CB-CE2 4.14Å; R544-Y546 VanDerWaalsContact CD-OH 3.29Å; R544-Y546 WeakPolarHBondContact CD-OH 3.41Å
545	V	87.8	Confident	72.5	Confident	38 Å²	38	75.8 Å²	75.8	23%	0.23	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-94.7	129.7	178.3	-176.3	0	0	0	0	109.3	G421 Y523	G421-V545 WeakPolarHBondContact CA-O 3.34Å; G421-V545 PolarHBondContact N-O 2.92Å; Y523-V545 PolarHBondContact OH-N 3.03Å; Y523-V545 VanDerWaalsContact OH-N 3.12Å; Y523-V545 PolarHBondContact OH-O 2.81Å
546	Y	91.6	Very high	75	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	152.4	-180	-63.8	-58.4	0	0	0	111	V17 E155 L156 G159 H162 V418 F419 L420 R544	V17-Y546 HydrophobicContact CG1-CE1 4.44Å; V17-Y546 HydrophobicContact CG2-CE1 4.35Å; E155-Y546 HydrophobicContact CG-CE2 4.48Å; E155-Y546 PolarHBondContact OE1-OH 3.42Å; L156-Y546 HydrophobicContact CD1-CD2 4.32Å; G159-Y546 PolarHBondContact O-N 2.92Å; H162-Y546 PolarHBondContact CE1-O 3.04Å; H162-Y546 PolarHBondContact NE2-O 3.3Å; V418-Y546 HydrophobicContact CB-CD1 4.44Å; V418-Y546 HydrophobicContact CB-CG 4.41Å; V418-Y546 HydrophobicContact CG2-CD1 3.67Å; V418-Y546 HydrophobicContact CG2-CE1 4.26Å; V418-Y546 HydrophobicContact CG2-CG 3.82Å; F419-Y546 WeakPolarHBondContact O-CA 3.42Å; L420-Y546 HydrophobicContact CD2-CE1 4.34Å; R544-Y546 HydrophobicContact CB-CE1 4.26Å; R544-Y546 HydrophobicContact CB-CE2 4.14Å; R544-Y546 VanDerWaalsContact CD-OH 3.29Å; R544-Y546 WeakPolarHBondContact CD-OH 3.41Å
547	D	93.9	Very high	77.8	Confident	30 Å²	30	69.4 Å²	69.4	16%	0.16	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	152	169.8	-79	-43.3	0	0	0	110.4	H162 V418 F419 G421 K552	H162-D547 IonicContact CE1-OD1 3.9Å; H162-D547 PolarHBondContact CE1-OD1 3.31Å; H162-D547 IonicContact NE2-OD1 3.75Å; V418-D547 CarbonylContact C-O 3.58Å; V418-D547 WeakPolarHBondContact CA-O 3.41Å; V418-D547 WeakPolarHBondContact CB-O 3.33Å; F419-D547 HydrophobicContact CB-CB 4.23Å; F419-D547 PolarHBondContact N-O 2.82Å; F419-D547 PolarHBondContact O-N 2.94Å; G421-D547 VanDerWaalsContact CA-OD2 3.31Å; G421-D547 WeakPolarHBondContact CA-OD2 3.3Å; D547-K552 HydrophobicContact CB-CD 3.76Å; D547-K552 IonicContact OD2-NZ 2.76Å; D547-K552 PolarHBondContact OD2-NZ 3.27Å
548	T	94.5	Very high	80.6	Confident	15 Å²	15	69.2 Å²	69.2	9%	0.092	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	144.5	175.1	53	0	0	0	0	111.4	L160 R408 H411 P551 K552	L160-T548 HydrophobicContact CD2-CG2 4.33Å; R408-T548 HydrophobicContact CB-CG2 4.24Å; R408-T548 HydrophobicContact CG-CG2 4.47Å; R408-T548 VanDerWaalsContact O-CG2 3.25Å; R408-T548 WeakPolarHBondContact O-CG2 3.47Å; H411-T548 HydrophobicContact CB-CG2 3.85Å; T548-P551 WeakPolarHBondContact OG1-CG 3.22Å; T548-K552 WeakPolarHBondContact O-CB 3.42Å
549	V	94.6	Very high	83.3	Confident	4 Å²	4	66.3 Å²	66.3	2%	0.024	35%	0.346	C	S	.	.	H	α-helix	trans	-76.3	-62.9	-172.1	173.1	0	0	0	0	112.1	Q16 E415 K417 F419 K552 I553	Q16-V549 HydrophobicContact CG-CG2 4.42Å; E415-V549 WeakPolarHBondContact OE2-CB 3.42Å; K417-V549 HydrophobicContact CG-CB 4.48Å; K417-V549 HydrophobicContact CG-CG2 3.93Å; F419-V549 HydrophobicContact CD1-CG2 4.15Å; F419-V549 HydrophobicContact CD2-CB 4.13Å; F419-V549 HydrophobicContact CD2-CG1 4.4Å; F419-V549 HydrophobicContact CD2-CG2 3.74Å; F419-V549 HydrophobicContact CE1-CG1 4.5Å; F419-V549 HydrophobicContact CE1-CG2 4.23Å; F419-V549 HydrophobicContact CE2-CB 3.88Å; F419-V549 HydrophobicContact CE2-CG1 3.66Å; F419-V549 HydrophobicContact CE2-CG2 3.83Å; F419-V549 HydrophobicContact CG-CG2 3.91Å; F419-V549 HydrophobicContact CZ-CB 4.3Å; F419-V549 HydrophobicContact CZ-CG1 3.72Å; F419-V549 HydrophobicContact CZ-CG2 4.08Å; V549-K552 PolarHBondContact O-N 2.97Å; V549-I553 HydrophobicContact CG1-CD1 3.8Å; V549-I553 WeakPolarHBondContact O-CG1 3.47Å; V549-I553 PolarHBondContact O-N 3.48Å; V549-I553 VanDerWaalsContact O-N 3.09Å
550	T	94.1	Very high	85.9	Confident	63 Å²	63	59 Å²	59	39%	0.387	31%	0.307	S	S	.	.	H	α-helix	trans	-63.1	-48.7	-174.8	-59.9	0	0	0	0	113.4	E415 K552 I553 E554	E415-T550 WeakPolarHBondContact OE1-CB 3.38Å; E415-T550 PolarHBondContact OE1-OG1 3.15Å; E415-T550 WeakPolarHBondContact OE2-CB 3.48Å; E415-T550 PolarHBondContact OE2-N 3.4Å; E415-T550 PolarHBondContact OE2-OG1 3.04Å; T550-K552 PolarHBondContact O-N 2.83Å; T550-I553 PolarHBondContact O-N 3.37Å; T550-E554 HydrophobicContact CG2-CG 4.16Å; T550-E554 WeakPolarHBondContact O-CB 3.28Å; T550-E554 WeakPolarHBondContact O-CG 3.12Å; T550-E554 PolarHBondContact O-N 3.45Å
551	P	94.7	Very high	88.4	Confident	44 Å²	44	54.9 Å²	54.9	29%	0.286	29%	0.291	S	S	.	.	H	α-helix	trans	-58.2	-36.1	179.2	-25.9	36.7	0	0	0	113	H411 T548 A555	H411-P551 HydrophobicContact CB-CG 4.1Å; T548-P551 WeakPolarHBondContact OG1-CG 3.22Å; P551-A555 WeakPolarHBondContact O-CB 3.49Å; P551-A555 PolarHBondContact O-N 3.21Å
552	K	94.9	Very high	90.5	Very high	22 Å²	22	51.5 Å²	51.5	10%	0.096	28%	0.277	C	S	.	.	H	α-helix	trans	-69.8	-45.8	179.2	-170.9	158.2	-172.3	173.9	0	112.4	F419 V425 E426 D547 T548 V549 T550 E554 A555 W556	F419-K552 HydrophobicContact CD2-CD 4.3Å; V425-K552 HydrophobicContact CG2-CD 4.09Å; E426-K552 WeakPolarHBondContact OE1-CE 3.37Å; E426-K552 IonicContact OE1-NZ 3.48Å; E426-K552 PolarHBondContact OE1-NZ 2.93Å; E426-K552 IonicContact OE2-NZ 3.53Å; E426-K552 PolarHBondContact OE2-NZ 3.33Å; D547-K552 HydrophobicContact CB-CD 3.76Å; D547-K552 IonicContact OD2-NZ 2.76Å; D547-K552 PolarHBondContact OD2-NZ 3.27Å; T548-K552 WeakPolarHBondContact O-CB 3.42Å; V549-K552 PolarHBondContact O-N 2.97Å; T550-K552 PolarHBondContact O-N 2.83Å; K552-E554 VanDerWaalsContact C-N 3.35Å; K552-E554 PolarHBondContact O-N 2.94Å; K552-A555 PolarHBondContact O-N 3.43Å; K552-W556 HydrophobicContact CD-CZ2 4.26Å; K552-W556 HydrophobicContact CG-CZ2 3.85Å; K552-W556 VanDerWaalsContact O-CG 3.29Å; K552-W556 PolarHBondContact O-N 3.37Å; K552-W556 VanDerWaalsContact O-N 3.17Å
553	I	95.3	Very high	92.3	Very high	18 Å²	18	51.5 Å²	51.5	9%	0.092	28%	0.277	C	S	.	.	H	α-helix	trans	-63.1	-43.1	175.7	-68.1	168.8	0	0	0	110.9	I9 F419 V549 T550 W556 R557	I9-I553 HydrophobicContact CD1-CG2 3.74Å; I9-I553 HydrophobicContact CG1-CG2 4.05Å; I9-I553 HydrophobicContact CG2-CD1 4.16Å; I9-I553 HydrophobicContact CG2-CG2 4.29Å; F419-I553 HydrophobicContact CE2-CD1 4.16Å; F419-I553 HydrophobicContact CE2-CG1 4.12Å; F419-I553 HydrophobicContact CZ-CD1 4.11Å; F419-I553 HydrophobicContact CZ-CG1 4.44Å; V549-I553 HydrophobicContact CG1-CD1 3.8Å; V549-I553 WeakPolarHBondContact O-CG1 3.47Å; V549-I553 PolarHBondContact O-N 3.48Å; V549-I553 VanDerWaalsContact O-N 3.09Å; T550-I553 PolarHBondContact O-N 3.37Å; I553-W556 PolarHBondContact O-N 2.92Å; I553-R557 VanDerWaalsContact CG2-CZ 3.47Å; I553-R557 WeakPolarHBondContact O-CG 3.21Å; I553-R557 PolarHBondContact O-N 3.47Å
554	E	96	Very high	93.5	Very high	63 Å²	63	50.8 Å²	50.8	29%	0.294	27%	0.27	S	S	.	.	H	α-helix	trans	-64.8	-39.7	177.4	-74.6	-58.6	123.5	0	0	111.7	T550 K552 W556 R557 R558	T550-E554 HydrophobicContact CG2-CG 4.16Å; T550-E554 WeakPolarHBondContact O-CB 3.28Å; T550-E554 WeakPolarHBondContact O-CG 3.12Å; T550-E554 PolarHBondContact O-N 3.45Å; K552-E554 VanDerWaalsContact C-N 3.35Å; K552-E554 PolarHBondContact O-N 2.94Å; E554-W556 VanDerWaalsContact C-N 3.29Å; E554-W556 PolarHBondContact O-N 3.17Å; E554-R557 PolarHBondContact O-N 3.48Å; E554-R557 IonicContact OE1-CZ 2.74Å; E554-R557 IonicContact OE1-NH1 3.5Å; E554-R557 PolarHBondContact OE1-NH1 2.94Å; E554-R558 WeakPolarHBondContact O-CB 3.09Å; E554-R558 VanDerWaalsContact O-CG 3.23Å; E554-R558 WeakPolarHBondContact O-CG 3.19Å; E554-R558 PolarHBondContact O-N 3.45Å
555	A	94.9	Very high	94.2	Very high	57 Å²	57	52.5 Å²	52.5	47%	0.471	28%	0.284	S	S	.	.	H	α-helix	trans	-57	-43.5	174	0	0	0	0	0	111.7	P551 K552 A559	P551-A555 WeakPolarHBondContact O-CB 3.49Å; P551-A555 PolarHBondContact O-N 3.21Å; K552-A555 PolarHBondContact O-N 3.43Å; A555-A559 WeakPolarHBondContact O-CB 3.35Å; A555-A559 PolarHBondContact O-N 3.36Å
556	W	95.3	Very high	94.4	Very high	26 Å²	26	55 Å²	55	10%	0.098	30%	0.299	C	S	.	.	H	α-helix	trans	-65.7	-42.5	176.9	-57.3	-19.8	0	0	0	112.8	L5 I9 V12 V425 E426 W478 K552 I553 E554 A559 L560	L5-W556 HydrophobicContact CD1-CB 3.9Å; L5-W556 HydrophobicContact CD1-CE3 4.32Å; L5-W556 HydrophobicContact CD2-CB 4.35Å; I9-W556 HydrophobicContact CG1-CE3 4.38Å; V12-W556 HydrophobicContact CG1-CH2 4.33Å; V12-W556 HydrophobicContact CG1-CZ3 4.5Å; V12-W556 HydrophobicContact CG2-CZ3 4.28Å; V425-W556 HydrophobicContact CB-CH2 4.26Å; V425-W556 HydrophobicContact CG2-CH2 4.16Å; V425-W556 HydrophobicContact CG2-CZ2 4.16Å; E426-W556 HydrophobicContact CG-CZ2 4.2Å; W478-W556 HydrophobicContact CH2-CB 4.47Å; W478-W556 AromaticContact CH2-CD1 3.63Å; W478-W556 AromaticContact CH2-CD2 3.59Å; W478-W556 HydrophobicContact CH2-CD2 3.59Å; W478-W556 AromaticContact CH2-CE2 3.43Å; W478-W556 VanDerWaalsContact CH2-CE2 3.43Å; W478-W556 HydrophobicContact CH2-CE3 4.25Å; W478-W556 AromaticContact CH2-CG 3.7Å; W478-W556 HydrophobicContact CH2-CG 3.7Å; W478-W556 AromaticContact CH2-CZ2 3.92Å; W478-W556 HydrophobicContact CH2-CZ2 3.92Å; W478-W556 AromaticContact CH2-NE1 3.48Å; W478-W556 HydrophobicContact CZ2-CD2 4.42Å; W478-W556 HydrophobicContact CZ3-CD2 4.43Å; W478-W556 AromaticContact CZ3-CE2 3.82Å; W478-W556 HydrophobicContact CZ3-CZ2 4.09Å; W478-W556 AromaticContact CZ3-NE1 3.65Å; K552-W556 HydrophobicContact CD-CZ2 4.26Å; K552-W556 HydrophobicContact CG-CZ2 3.85Å; K552-W556 VanDerWaalsContact O-CG 3.29Å; K552-W556 PolarHBondContact O-N 3.37Å; K552-W556 VanDerWaalsContact O-N 3.17Å; I553-W556 PolarHBondContact O-N 2.92Å; E554-W556 VanDerWaalsContact C-N 3.29Å; E554-W556 PolarHBondContact O-N 3.17Å; W556-A559 PolarHBondContact O-N 3.5Å; W556-L560 PolarHBondContact O-N 3.1Å
557	R	95.9	Very high	94.4	Very high	90 Å²	90	60.6 Å²	60.6	34%	0.34	33%	0.328	S	S	.	.	H	α-helix	trans	-61.3	-48.9	176.2	-73.7	177.7	-179.9	146.1	1.6	111.3	L5 I9 I553 E554 A559 L560 D561	L5-R557 HydrophobicContact CD2-CG 4.31Å; I9-R557 HydrophobicContact CD1-CG 4.39Å; I553-R557 VanDerWaalsContact CG2-CZ 3.47Å; I553-R557 WeakPolarHBondContact O-CG 3.21Å; I553-R557 PolarHBondContact O-N 3.47Å; E554-R557 PolarHBondContact O-N 3.48Å; E554-R557 IonicContact OE1-CZ 2.74Å; E554-R557 IonicContact OE1-NH1 3.5Å; E554-R557 PolarHBondContact OE1-NH1 2.94Å; R557-A559 PolarHBondContact O-N 3.37Å; R557-L560 PolarHBondContact O-N 3.34Å; R557-D561 VanDerWaalsContact O-CG 3.29Å; R557-D561 PolarHBondContact O-N 3.4Å
558	R	96.8	Very high	94.2	Very high	162 Å²	162	65.9 Å²	65.9	61%	0.611	35%	0.352	S	S	*	.	H	α-helix	trans	-63.3	-40	179.3	-64.4	-60.9	179	171.1	2.9	112.3	E554 L560 D561 V562	E554-R558 WeakPolarHBondContact O-CB 3.09Å; E554-R558 VanDerWaalsContact O-CG 3.23Å; E554-R558 WeakPolarHBondContact O-CG 3.19Å; E554-R558 PolarHBondContact O-N 3.45Å; R558-L560 VanDerWaalsContact C-N 3.33Å; R558-L560 PolarHBondContact O-N 3.24Å; R558-D561 PolarHBondContact O-N 3Å; R558-V562 WeakPolarHBondContact O-CG2 3.41Å; R558-V562 PolarHBondContact O-N 3.36Å
559	A	95.1	Very high	94	Very high	59 Å²	59	68.9 Å²	68.9	49%	0.488	37%	0.371	S	S	.	.	H	α-helix	trans	-60.3	-44.4	174.3	0	0	0	0	0	111.3	A555 W556 R557 V562 V563	A555-A559 WeakPolarHBondContact O-CB 3.35Å; A555-A559 PolarHBondContact O-N 3.36Å; W556-A559 PolarHBondContact O-N 3.5Å; R557-A559 PolarHBondContact O-N 3.37Å; A559-V562 PolarHBondContact O-N 3.31Å; A559-V563 WeakPolarHBondContact O-CG2 3.1Å; A559-V563 PolarHBondContact O-N 2.7Å; A559-V563 VanDerWaalsContact O-N 3.14Å
560	L	94.4	Very high	93.9	Very high	18 Å²	18	76 Å²	76	9%	0.094	41%	0.409	C	S	.	.	H	α-helix	trans	-66.4	-40.8	176.4	179.5	61.1	0	0	0	112.3	M1 L5 W556 R557 R558 V562 V563 L564	M1-L560 HydrophobicContact CB-CD1 3.7Å; M1-L560 HydrophobicContact CB-CD2 4.4Å; M1-L560 HydrophobicContact SD-CD1 4.24Å; L5-L560 HydrophobicContact CB-CD2 4.02Å; L5-L560 HydrophobicContact CD2-CB 4Å; L5-L560 HydrophobicContact CD2-CD2 3.69Å; L5-L560 HydrophobicContact CD2-CG 4.5Å; W556-L560 PolarHBondContact O-N 3.1Å; R557-L560 PolarHBondContact O-N 3.34Å; R558-L560 VanDerWaalsContact C-N 3.33Å; R558-L560 PolarHBondContact O-N 3.24Å; L560-V562 VanDerWaalsContact C-N 3.29Å; L560-V562 PolarHBondContact O-N 3.33Å; L560-V563 PolarHBondContact O-N 2.85Å; L560-V563 VanDerWaalsContact O-N 3.16Å; L560-L564 HydrophobicContact CD1-CD1 4.33Å; L560-L564 HydrophobicContact CD1-CD2 4.5Å; L560-L564 HydrophobicContact CD1-CG 4.08Å; L560-L564 HydrophobicContact CG-CD1 4.01Å; L560-L564 HydrophobicContact CG-CG 4.22Å; L560-L564 WeakPolarHBondContact O-CG 3.41Å; L560-L564 PolarHBondContact O-N 2.8Å
561	D	94.3	Very high	93.7	Very high	82 Å²	82	76.6 Å²	76.6	44%	0.439	42%	0.415	S	S	.	.	H	α-helix	trans	-58.7	-42	177.6	-71.2	-21.1	0	0	0	111.6	R557 R558 L564 L565	R557-D561 VanDerWaalsContact O-CG 3.29Å; R557-D561 PolarHBondContact O-N 3.4Å; R558-D561 PolarHBondContact O-N 3Å; D561-L564 PolarHBondContact O-N 3.31Å; D561-L565 WeakPolarHBondContact O-CB 3.39Å; D561-L565 PolarHBondContact O-N 3.42Å
562	V	95.6	Very high	93.4	Very high	91 Å²	91	82.2 Å²	82.2	55%	0.552	44%	0.438	S	S	*	.	H	α-helix	trans	-62.9	-45.6	175	172.6	0	0	0	0	110.9	R558 A559 L560 L564 L565 V566	R558-V562 WeakPolarHBondContact O-CG2 3.41Å; R558-V562 PolarHBondContact O-N 3.36Å; A559-V562 PolarHBondContact O-N 3.31Å; L560-V562 VanDerWaalsContact C-N 3.29Å; L560-V562 PolarHBondContact O-N 3.33Å; V562-L564 VanDerWaalsContact C-N 3.32Å; V562-L564 PolarHBondContact O-N 3.43Å; V562-L565 PolarHBondContact O-N 3.37Å; V562-V566 WeakPolarHBondContact O-CG2 3.32Å; V562-V566 PolarHBondContact O-N 3.11Å
563	V	92.9	Very high	93.1	Very high	68 Å²	68	88 Å²	88	41%	0.412	47%	0.468	S	S	.	.	H	α-helix	trans	-59.8	-44.3	176.7	170.6	0	0	0	0	111	M1 A559 L560 V566 L567	M1-V563 HydrophobicContact SD-CG1 4.47Å; A559-V563 WeakPolarHBondContact O-CG2 3.1Å; A559-V563 PolarHBondContact O-N 2.7Å; A559-V563 VanDerWaalsContact O-N 3.14Å; L560-V563 PolarHBondContact O-N 2.85Å; L560-V563 VanDerWaalsContact O-N 3.16Å; V563-V566 PolarHBondContact O-N 2.99Å; V563-L567 HydrophobicContact CG1-CD1 3.75Å; V563-L567 HydrophobicContact CG1-CG 4.26Å; V563-L567 WeakPolarHBondContact O-CB 3.43Å; V563-L567 VanDerWaalsContact O-CG 3.27Å; V563-L567 WeakPolarHBondContact O-CG 3.14Å; V563-L567 PolarHBondContact O-N 3.35Å
564	L	91.1	Very high	92.8	Very high	41 Å²	41	93.7 Å²	93.7	22%	0.215	50%	0.497	C	S	.	.	H	α-helix	trans	-65.1	-39.9	178.3	-68.9	174.9	0	0	0	111.8	M1 L560 D561 V562 V566 L567 Q568	M1-L564 HydrophobicContact SD-CD2 4.26Å; L560-L564 HydrophobicContact CD1-CD1 4.33Å; L560-L564 HydrophobicContact CD1-CD2 4.5Å; L560-L564 HydrophobicContact CD1-CG 4.08Å; L560-L564 HydrophobicContact CG-CD1 4.01Å; L560-L564 HydrophobicContact CG-CG 4.22Å; L560-L564 WeakPolarHBondContact O-CG 3.41Å; L560-L564 PolarHBondContact O-N 2.8Å; D561-L564 PolarHBondContact O-N 3.31Å; V562-L564 VanDerWaalsContact C-N 3.32Å; V562-L564 PolarHBondContact O-N 3.43Å; L564-V566 VanDerWaalsContact C-N 3.35Å; L564-L567 PolarHBondContact O-N 3.02Å; L564-Q568 VanDerWaalsContact O-CB 3.29Å; L564-Q568 WeakPolarHBondContact O-CB 3.47Å; L564-Q568 WeakPolarHBondContact O-CG 3.18Å; L564-Q568 PolarHBondContact O-N 3.42Å
565	L	93.9	Very high	92.3	Very high	112 Å²	112	96.4 Å²	96.4	59%	0.586	52%	0.518	S	S	*	.	H	α-helix	trans	-61	-44.6	175.7	-178.1	141.7	0	0	0	111.3	D561 V562 Q568 T569	D561-L565 WeakPolarHBondContact O-CB 3.39Å; D561-L565 PolarHBondContact O-N 3.42Å; V562-L565 PolarHBondContact O-N 3.37Å; L565-Q568 PolarHBondContact O-N 3.24Å; L565-T569 PolarHBondContact O-N 3.36Å; L565-T569 PolarHBondContact O-OG1 2.74Å
566	V	93.1	Very high	91.4	Very high	91 Å²	91	96.7 Å²	96.7	55%	0.552	53%	0.527	S	S	*	.	H	α-helix	trans	-65.3	-46.6	176.8	174.2	0	0	0	0	111.1	V562 V563 L564 Q568 T569	V562-V566 WeakPolarHBondContact O-CG2 3.32Å; V562-V566 PolarHBondContact O-N 3.11Å; V563-V566 PolarHBondContact O-N 2.99Å; L564-V566 VanDerWaalsContact C-N 3.35Å; V566-Q568 VanDerWaalsContact C-N 3.27Å; V566-Q568 PolarHBondContact O-N 2.97Å; V566-T569 WeakPolarHBondContact O-CB 3.16Å; V566-T569 PolarHBondContact O-N 2.9Å; V566-T569 VanDerWaalsContact O-N 3.09Å
567	L	90.4	Very high	89.9	Confident	116 Å²	116	103.4 Å²	103.4	61%	0.607	56%	0.564	S	S	*	*	H	α-helix	trans	-67	-25.9	-179.4	-70.9	175.8	0	0	0	113.7	M1 V563 L564 T569	M1-L567 HydrophobicContact CE-CD1 3.95Å; M1-L567 HydrophobicContact SD-CD1 4.14Å; V563-L567 HydrophobicContact CG1-CD1 3.75Å; V563-L567 HydrophobicContact CG1-CG 4.26Å; V563-L567 WeakPolarHBondContact O-CB 3.43Å; V563-L567 VanDerWaalsContact O-CG 3.27Å; V563-L567 WeakPolarHBondContact O-CG 3.14Å; V563-L567 PolarHBondContact O-N 3.35Å; L564-L567 PolarHBondContact O-N 3.02Å; L567-T569 VanDerWaalsContact C-N 3.34Å
568	Q	90.5	Very high	88	Confident	141 Å²	141	105 Å²	105	66%	0.659	58%	0.584	S	S	*	*	H	α-helix	trans	-82.7	-14.2	175.1	-73.4	174	-2.2	0	0	113	L564 L565 V566 D570	L564-Q568 VanDerWaalsContact O-CB 3.29Å; L564-Q568 WeakPolarHBondContact O-CB 3.47Å; L564-Q568 WeakPolarHBondContact O-CG 3.18Å; L564-Q568 PolarHBondContact O-N 3.42Å; L565-Q568 PolarHBondContact O-N 3.24Å; V566-Q568 VanDerWaalsContact C-N 3.27Å; V566-Q568 PolarHBondContact O-N 2.97Å; Q568-D570 PolarHBondContact O-N 2.89Å
569	T	90.8	Very high	85.7	Confident	79 Å²	79	105 Å²	105	49%	0.485	59%	0.59	S	S	.	*			trans	-84.7	107.4	178	-56	0	0	0	0	108.6	L565 V566 L567 S571	L565-T569 PolarHBondContact O-N 3.36Å; L565-T569 PolarHBondContact O-OG1 2.74Å; V566-T569 WeakPolarHBondContact O-CB 3.16Å; V566-T569 PolarHBondContact O-N 2.9Å; V566-T569 VanDerWaalsContact O-N 3.09Å; L567-T569 VanDerWaalsContact C-N 3.34Å; T569-S571 WeakPolarHBondContact CG2-O 3.36Å
570	D	93.1	Very high	83.5	Confident	154 Å²	154	108.2 Å²	108.2	82%	0.824	60%	0.604	S	S	*	*			trans	-90.8	-20.8	178.6	63.8	-13.1	0	0	0	112.8	Q568	Q568-D570 PolarHBondContact O-N 2.89Å
571	S	89	Confident	81.5	Confident	75 Å²	75	115.8 Å²	115.8	52%	0.524	64%	0.639	S	S	.	*			trans	-150	138.9	-176.6	55.2	0	0	0	0	111.7	T569	T569-S571 WeakPolarHBondContact CG2-O 3.36Å
572	E	88.6	Confident	78.8	Confident	162 Å²	162	120.3 Å²	120.3	76%	0.757	66%	0.66	S	S	*	*			trans	-111.8	122.2	171.1	-173.6	-178.3	-169.8	0	0	108.6	I574	E572-I574 HydrophobicContact CG-CD1 4.49Å; E572-I574 HydrophobicContact CG-CG1 3.95Å
573	I	88.8	Confident	75.9	Confident	144 Å²	144	123.7 Å²	123.7	74%	0.738	67%	0.674	S	S	*	*			trans	-105.5	102.8	176.6	-56	177.3	0	0	0	108.3	T575	I573-T575 HydrophobicContact CG2-CG2 4Å; I573-T575 PolarHBondContact O-N 3.18Å
574	I	88.3	Confident	73.5	Confident	136 Å²	136	126 Å²	126	70%	0.697	69%	0.693	S	S	*	*			trans	-91.6	97.1	176.1	-53.3	176.5	0	0	0	108.3	E572	E572-I574 HydrophobicContact CG-CD1 4.49Å; E572-I574 HydrophobicContact CG-CG1 3.95Å
575	T	85.1	Confident	71.2	Confident	120 Å²	120	132.6 Å²	132.6	74%	0.736	72%	0.723	S	S	*	*			trans	-87.9	113.1	169.4	58.5	0	0	0	0	109.2	I573	I573-T575 HydrophobicContact CG2-CG2 4Å; I573-T575 PolarHBondContact O-N 3.18Å
576	G	76.7	Confident	68.8	Low	64 Å²	64	136.1 Å²	136.1	66%	0.66	74%	0.737	S	S	*	*			trans	-60.2	139.9	171.3	0	0	0	0	0	110.9	V578	G576-V578 PolarHBondContact O-N 3.28Å; G576-V578 VanDerWaalsContact O-N 3.07Å
577	L	63.2	Low	66	Low	167 Å²	167	140.2 Å²	140.2	87%	0.874	76%	0.755	S	S	*	*			trans	-63.7	111.8	162.5	-136.4	99.5	0	0	0	105.7	H579	L577-H579 PolarHBondContact O-N 3.13Å
578	V	57.3	Low	63.4	Low	124 Å²	124	142.7 Å²	142.7	75%	0.752	77%	0.769	S	S	*	*			trans	-48.6	110.8	174.6	174.1	0	0	0	0	107.5	G576 T580	G576-V578 PolarHBondContact O-N 3.28Å; G576-V578 VanDerWaalsContact O-N 3.07Å; V578-T580 VanDerWaalsContact C-N 3.31Å; V578-T580 PolarHBondContact O-N 3.34Å
579	H	47.5	Very low	61	Low	161 Å²	161	138.9 Å²	138.9	75%	0.745	77%	0.767	S	S	*	*			trans	-61.6	102.3	161.8	-89.9	27	0	0	0	106	L577 E581	L577-H579 PolarHBondContact O-N 3.13Å; H579-E581 PolarHBondContact O-N 3.45Å; H579-E581 VanDerWaalsContact O-N 3.11Å
580	T	50.1	Low	58.2	Low	126 Å²	126	141.9 Å²	141.9	77%	0.773	79%	0.785	S	S	*	*	S	Bend	trans	-56.8	112.7	153.7	34.5	0	0	0	0	107	V578	V578-T580 VanDerWaalsContact C-N 3.31Å; V578-T580 PolarHBondContact O-N 3.34Å
581	E	51.9	Low	55.4	Low	178 Å²	178	142.5 Å²	142.5	83%	0.832	79%	0.787	S	S	*	*			trans	68.8	91.7	162.4	-57.5	179.9	171.8	0	0	117.1	H579	H579-E581 PolarHBondContact O-N 3.45Å; H579-E581 VanDerWaalsContact O-N 3.11Å
582	M	37.3	Very low	52.6	Low	177 Å²	177	148.8 Å²	148.8	87%	0.872	81%	0.806	S	S	*	*			trans	-141.4	131.5	133.8	-73.7	-161.7	103.4	0	0	109.8
583	N	35.4	Very low	50.1	Low	161 Å²	161	152.9 Å²	152.9	86%	0.861	83%	0.831	S	S	*	*			trans	-48.9	133.3	-176.2	-68.1	-49.4	0	0	0	112.7	Q585	N583-Q585 PolarHBondContact O-N 2.83Å
584	S	41.5	Very low	48.1	Very low	116 Å²	116	153.3 Å²	153.3	81%	0.811	84%	0.836	S	S	*	*	S	Bend	trans	-65.3	92.7	165.9	55.2	0	0	0	0	110.1
585	Q	42.5	Very low	46	Very low	180 Å²	180	154.2 Å²	154.2	84%	0.841	84%	0.843	S	S	*	*			trans	-168.6	136.1	151.5	-107.8	160.9	11.8	0	0	108.8	N583	N583-Q585 PolarHBondContact O-N 2.83Å
586	E	43.7	Very low	43.8	Very low	187 Å²	187	156.1 Å²	156.1	87%	0.874	85%	0.849	S	S	*	*			trans	77.2	85.6	177.4	-58.4	-176	163.8	0	0	116.3
587	L	35.1	Very low	41.9	Very low	177 Å²	177	161.5 Å²	161.5	93%	0.927	86%	0.86	S	S	*	*			trans	-149.5	68.9	140.1	-102.6	162	0	0	0	107.2
588	D	35.9	Very low	40.6	Very low	168 Å²	168	161.2 Å²	161.2	90%	0.898	86%	0.859	S	S	*	*			trans	-82.2	117.8	161.5	-123.6	-8.8	0	0	0	107.5
589	G	39.6	Very low	39.5	Very low	61 Å²	61	163.7 Å²	163.7	63%	0.629	87%	0.867	S	S	*	*			trans	78.1	95.2	154.4	0	0	0	0	0	117.9
590	V	32.7	Very low	38.9	Very low	141 Å²	141	163.9 Å²	163.9	86%	0.855	88%	0.875	S	S	*	*			trans	-139.8	108	130.6	-175.1	0	0	0	0	108.8
591	L	33.3	Very low	38	Very low	167 Å²	167	166.8 Å²	166.8	87%	0.874	88%	0.883	S	S	*	*			trans	-68.2	136.8	168.5	-83.5	148.6	0	0	0	109.9
592	F	30.5	Very low	36.9	Very low	208 Å²	208	165.8 Å²	165.8	91%	0.912	89%	0.887	S	S	*	*			trans	-65.1	130.5	168.3	-84.5	-94.9	0	0	0	111.3
593	L	35.2	Very low	36.8	Very low	247 Å²	247	164.8 Å²	164.8	100%	1.293	89%	0.889	S	S	*	*			trans	-136.4	0	145.2	-99	170.5	0	0	0	108.4

Retrieved 593 of 593 residues in 169 ms (Link to these results)

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