G4VRL8_SCHMA Loading...

Putative lozenge

AlphaFold DB , UniProt , Accession G4VRL8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 702 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	60.5	Low	82.1	Confident	181 Å²	181	86.5 Å²	86.5	89%	0.892	45%	0.445	S	S	*	.				0	-61.2	0	-155.3	66.9	164.8	0	0	109.8	D3 I4 L5	M1-D3 VanDerWaalsContact C-N 3.29Å; M1-D3 PolarHBondContact O-N 3.38Å; M1-D3 VanDerWaalsContact O-N 3.16Å; M1-I4 PolarHBondContact O-N 3.35Å; M1-L5 PolarHBondContact O-N 3.45Å
2	S	80	Confident	82.4	Confident	77 Å²	77	90.1 Å²	90.1	54%	0.538	46%	0.455	S	S	.	.	H	α-helix	trans	-30.6	-56.9	168.3	42.5	0	0	0	0	114.9	I4 L5 L6	S2-I4 VanDerWaalsContact C-N 3.32Å; S2-I4 PolarHBondContact O-N 3.49Å; S2-L5 PolarHBondContact O-N 2.81Å; S2-L5 VanDerWaalsContact O-N 3.15Å; S2-L6 PolarHBondContact O-N 2.71Å
3	D	79.1	Confident	82.6	Confident	98 Å²	98	91.6 Å²	91.6	52%	0.524	45%	0.452	S	S	.	.	H	α-helix	trans	-73.6	-27.7	-163	-34.5	-29.7	0	0	0	112	M1 A7	M1-D3 VanDerWaalsContact C-N 3.29Å; M1-D3 PolarHBondContact O-N 3.38Å; M1-D3 VanDerWaalsContact O-N 3.16Å; D3-A7 VanDerWaalsContact O-CB 3.32Å; D3-A7 WeakPolarHBondContact O-CB 3.23Å; D3-A7 PolarHBondContact O-N 3Å
4	I	82.5	Confident	82.3	Confident	111 Å²	111	85.4 Å²	85.4	57%	0.569	42%	0.422	S	S	*	.	H	α-helix	trans	-71.3	-44.6	173.7	-58.3	174.4	0	0	0	109.6	M1 S2 L6 A7 E8	M1-I4 PolarHBondContact O-N 3.35Å; S2-I4 VanDerWaalsContact C-N 3.32Å; S2-I4 PolarHBondContact O-N 3.49Å; I4-L6 VanDerWaalsContact C-N 3.31Å; I4-L6 PolarHBondContact O-N 3.03Å; I4-A7 PolarHBondContact O-N 3.01Å; I4-E8 PolarHBondContact O-N 3.17Å
5	L	83.9	Confident	82.4	Confident	107 Å²	107	84.1 Å²	84.1	56%	0.56	42%	0.417	S	S	*	.	H	α-helix	trans	-65.2	-36.3	176.2	-62.1	175.2	0	0	0	111.5	M1 S2 Y9	M1-L5 PolarHBondContact O-N 3.45Å; S2-L5 PolarHBondContact O-N 2.81Å; S2-L5 VanDerWaalsContact O-N 3.15Å; L5-Y9 VanDerWaalsContact O-CB 3.29Å; L5-Y9 WeakPolarHBondContact O-CB 3.25Å; L5-Y9 PolarHBondContact O-N 2.76Å
6	L	85.5	Confident	82.1	Confident	53 Å²	53	93.2 Å²	93.2	28%	0.277	45%	0.445	S	S	.	.	H	α-helix	trans	-64.6	-48.1	172.7	-179.1	61.4	0	0	0	111.3	S2 I4 E8 Y9 T10 P56	S2-L6 PolarHBondContact O-N 2.71Å; I4-L6 VanDerWaalsContact C-N 3.31Å; I4-L6 PolarHBondContact O-N 3.03Å; L6-E8 PolarHBondContact O-N 3.09Å; L6-Y9 PolarHBondContact O-N 3.24Å; L6-Y9 VanDerWaalsContact O-N 3.14Å; L6-T10 HydrophobicContact CD1-CG2 4.17Å; L6-T10 HydrophobicContact CG-CG2 4.49Å; L6-T10 WeakPolarHBondContact O-CG2 3.27Å; L6-T10 PolarHBondContact O-N 3.3Å; L6-T10 PolarHBondContact O-OG1 3.44Å; L6-P56 HydrophobicContact CD2-CB 4.05Å; L6-P56 HydrophobicContact CD2-CG 4.43Å
7	A	86	Confident	81.4	Confident	23 Å²	23	92.2 Å²	92.2	19%	0.19	44%	0.44	C	S	.	.	H	α-helix	trans	-61.1	-40.8	177.1	0	0	0	0	0	112.6	D3 I4 T10 L11 L54	D3-A7 VanDerWaalsContact O-CB 3.32Å; D3-A7 WeakPolarHBondContact O-CB 3.23Å; D3-A7 PolarHBondContact O-N 3Å; I4-A7 PolarHBondContact O-N 3.01Å; A7-T10 PolarHBondContact O-OG1 2.87Å; A7-L11 VanDerWaalsContact O-CB 3.24Å; A7-L11 WeakPolarHBondContact O-CB 3.44Å; A7-L11 PolarHBondContact O-N 2.84Å; A7-L54 HydrophobicContact CB-CB 4.07Å; A7-L54 WeakPolarHBondContact CB-O 3.34Å
8	E	86	Confident	80.5	Confident	85 Å²	85	90.2 Å²	90.2	40%	0.397	43%	0.43	S	S	.	.	H	α-helix	trans	-63.1	-43.1	172	-81.4	-167.8	-140.4	0	0	111.9	I4 L6 K12	I4-E8 PolarHBondContact O-N 3.17Å; L6-E8 PolarHBondContact O-N 3.09Å; E8-K12 VanDerWaalsContact O-CB 3.25Å; E8-K12 WeakPolarHBondContact O-CB 3.22Å; E8-K12 WeakPolarHBondContact O-CD 3.46Å; E8-K12 WeakPolarHBondContact O-CG 3.29Å; E8-K12 PolarHBondContact O-N 3.5Å; E8-K12 IonicContact OE2-NZ 3.4Å; E8-K12 PolarHBondContact OE2-NZ 3.31Å
9	Y	87.2	Confident	79.5	Confident	147 Å²	147	93.4 Å²	93.4	58%	0.576	46%	0.456	S	S	*	.	H	α-helix	trans	-66	-45.2	179.6	176.7	-103.9	0	0	0	112.3	L5 L6 L11 K12 R13	L5-Y9 VanDerWaalsContact O-CB 3.29Å; L5-Y9 WeakPolarHBondContact O-CB 3.25Å; L5-Y9 PolarHBondContact O-N 2.76Å; L6-Y9 PolarHBondContact O-N 3.24Å; L6-Y9 VanDerWaalsContact O-N 3.14Å; Y9-L11 PolarHBondContact O-N 2.85Å; Y9-K12 PolarHBondContact O-N 3.14Å; Y9-R13 WeakPolarHBondContact O-CB 3.42Å; Y9-R13 PolarHBondContact O-N 3.46Å
10	T	85.7	Confident	78.8	Confident	10 Å²	10	91.5 Å²	91.5	6%	0.061	45%	0.45	C	S	.	.	H	α-helix	trans	-64.6	-40.1	177.2	58.3	0	0	0	0	111.4	L6 A7 A14 S53 H87	L6-T10 HydrophobicContact CD1-CG2 4.17Å; L6-T10 HydrophobicContact CG-CG2 4.49Å; L6-T10 WeakPolarHBondContact O-CG2 3.27Å; L6-T10 PolarHBondContact O-N 3.3Å; L6-T10 PolarHBondContact O-OG1 3.44Å; A7-T10 PolarHBondContact O-OG1 2.87Å; T10-A14 WeakPolarHBondContact O-CB 3.41Å; T10-A14 PolarHBondContact O-N 3.15Å; T10-S53 PolarHBondContact OG1-O 3.37Å; T10-H87 HydrophobicContact CG2-CB 4.02Å
11	L	86.3	Confident	79	Confident	59 Å²	59	93.6 Å²	93.6	31%	0.309	46%	0.463	S	S	.	.	H	α-helix	trans	-63.5	-51.6	174.6	-178	58.5	0	0	0	112.1	A7 Y9 R13 A14 L15 L22 L31 L54	A7-L11 VanDerWaalsContact O-CB 3.24Å; A7-L11 WeakPolarHBondContact O-CB 3.44Å; A7-L11 PolarHBondContact O-N 2.84Å; Y9-L11 PolarHBondContact O-N 2.85Å; L11-R13 VanDerWaalsContact C-N 3.3Å; L11-R13 PolarHBondContact O-N 2.86Å; L11-A14 PolarHBondContact O-N 3.43Å; L11-L15 HydrophobicContact CD1-CD1 3.76Å; L11-L15 HydrophobicContact CD1-CG 4.1Å; L11-L15 HydrophobicContact CG-CD1 3.97Å; L11-L15 WeakPolarHBondContact O-CB 3.36Å; L11-L15 WeakPolarHBondContact O-CG 3.33Å; L11-L15 PolarHBondContact O-N 3.29Å; L11-L22 HydrophobicContact CD1-CD1 4.47Å; L11-L31 HydrophobicContact CD1-CD1 3.63Å; L11-L54 HydrophobicContact CB-CD2 4.04Å
12	K	85.7	Confident	80.5	Confident	130 Å²	130	86 Å²	86	57%	0.565	43%	0.426	S	S	*	.	H	α-helix	trans	-58.7	-41.3	178.1	-73.6	164	-178	169.9	0	111.3	E8 Y9 R16	E8-K12 VanDerWaalsContact O-CB 3.25Å; E8-K12 WeakPolarHBondContact O-CB 3.22Å; E8-K12 WeakPolarHBondContact O-CD 3.46Å; E8-K12 WeakPolarHBondContact O-CG 3.29Å; E8-K12 PolarHBondContact O-N 3.5Å; E8-K12 IonicContact OE2-NZ 3.4Å; E8-K12 PolarHBondContact OE2-NZ 3.31Å; Y9-K12 PolarHBondContact O-N 3.14Å; K12-R16 VanDerWaalsContact O-CB 3.23Å; K12-R16 WeakPolarHBondContact O-CB 3.36Å; K12-R16 PolarHBondContact O-N 2.93Å
13	R	84.9	Confident	81.1	Confident	110 Å²	110	83 Å²	83	42%	0.415	41%	0.406	S	S	.	.	H	α-helix	trans	-63.9	-51.9	174	-179.6	-179.8	174.7	-175.2	-2.2	111.9	Y9 L11 L15 R16 E17	Y9-R13 WeakPolarHBondContact O-CB 3.42Å; Y9-R13 PolarHBondContact O-N 3.46Å; L11-R13 VanDerWaalsContact C-N 3.3Å; L11-R13 PolarHBondContact O-N 2.86Å; R13-L15 VanDerWaalsContact C-N 3.27Å; R13-L15 PolarHBondContact O-N 3.46Å; R13-R16 PolarHBondContact O-N 2.78Å; R13-R16 VanDerWaalsContact O-N 3.12Å; R13-E17 WeakPolarHBondContact CG-OE1 3.48Å; R13-E17 IonicContact CZ-OE1 3.23Å; R13-E17 IonicContact NE-OE1 3.3Å; R13-E17 PolarHBondContact NE-OE1 2.84Å; R13-E17 IonicContact NH2-OE1 2.89Å; R13-E17 PolarHBondContact NH2-OE1 3Å; R13-E17 PolarHBondContact O-N 3.37Å
14	A	79.5	Confident	81.8	Confident	4 Å²	4	83 Å²	83	3%	0.033	41%	0.411	C	S	.	.	H	α-helix	trans	-66.3	-28.8	-173	0	0	0	0	0	113.6	T10 L11 L22 R50 V52	T10-A14 WeakPolarHBondContact O-CB 3.41Å; T10-A14 PolarHBondContact O-N 3.15Å; L11-A14 PolarHBondContact O-N 3.43Å; A14-L22 HydrophobicContact CB-CD1 3.98Å; A14-R50 PolarHBondContact O-NH1 3.33Å; A14-R50 PolarHBondContact O-NH2 3.16Å; A14-R50 VanDerWaalsContact O-NH2 3.11Å; A14-V52 HydrophobicContact CB-CB 4.49Å; A14-V52 HydrophobicContact CB-CG1 3.94Å; A14-V52 HydrophobicContact CB-CG2 3.72Å
15	L	83.3	Confident	82.5	Confident	66 Å²	66	78.6 Å²	78.6	35%	0.346	39%	0.39	S	S	.	.	H	α-helix	trans	-79.5	-37.6	170.5	-66	171.6	0	0	0	112.5	L11 R13 E17 H18 L22	L11-L15 HydrophobicContact CD1-CD1 3.76Å; L11-L15 HydrophobicContact CD1-CG 4.1Å; L11-L15 HydrophobicContact CG-CD1 3.97Å; L11-L15 WeakPolarHBondContact O-CB 3.36Å; L11-L15 WeakPolarHBondContact O-CG 3.33Å; L11-L15 PolarHBondContact O-N 3.29Å; R13-L15 VanDerWaalsContact C-N 3.27Å; R13-L15 PolarHBondContact O-N 3.46Å; L15-E17 VanDerWaalsContact C-N 3.34Å; L15-E17 PolarHBondContact O-N 2.7Å; L15-H18 CarbonylContact O-C 3.42Å; L15-H18 PolarHBondContact O-N 3.4Å; L15-L22 HydrophobicContact CD2-CD1 4.25Å; L15-L22 HydrophobicContact CD2-CG 4.06Å
16	R	77.7	Confident	83.1	Confident	230 Å²	230	76.6 Å²	76.6	87%	0.868	39%	0.385	S	S	*	.	H	α-helix	trans	-63.8	-37.7	176.3	-177	-178.8	178.9	-153.8	-0.2	112.5	K12 R13 H18	K12-R16 VanDerWaalsContact O-CB 3.23Å; K12-R16 WeakPolarHBondContact O-CB 3.36Å; K12-R16 PolarHBondContact O-N 2.93Å; R13-R16 PolarHBondContact O-N 2.78Å; R13-R16 VanDerWaalsContact O-N 3.12Å; R16-H18 VanDerWaalsContact C-N 3.3Å; R16-H18 PolarHBondContact O-N 2.74Å
17	E	70.2	Confident	83.5	Confident	76 Å²	76	75.6 Å²	75.6	36%	0.355	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-21.5	-179.3	-71.4	-173.7	-147.4	0	0	113.3	R13 L15 R90	R13-E17 WeakPolarHBondContact CG-OE1 3.48Å; R13-E17 IonicContact CZ-OE1 3.23Å; R13-E17 IonicContact NE-OE1 3.3Å; R13-E17 PolarHBondContact NE-OE1 2.84Å; R13-E17 IonicContact NH2-OE1 2.89Å; R13-E17 PolarHBondContact NH2-OE1 3Å; R13-E17 PolarHBondContact O-N 3.37Å; L15-E17 VanDerWaalsContact C-N 3.34Å; L15-E17 PolarHBondContact O-N 2.7Å; E17-R90 IonicContact OE2-CZ 3.42Å; E17-R90 IonicContact OE2-NH1 2.7Å; E17-R90 IonicContact OE2-NH2 3.6Å; E17-R90 PolarHBondContact OE2-NH2 3.33Å
18	H	65.8	Low	83.9	Confident	57 Å²	57	78.7 Å²	78.7	26%	0.264	40%	0.398	S	S	.	.			trans	-148	124.9	-179.1	-64.5	-97.8	0	0	0	112.2	L15 R16 T20 R50	L15-H18 CarbonylContact O-C 3.42Å; L15-H18 PolarHBondContact O-N 3.4Å; R16-H18 VanDerWaalsContact C-N 3.3Å; R16-H18 PolarHBondContact O-N 2.74Å; H18-T20 PolarHBondContact O-N 3.4Å; H18-R50 PolarHBondContact CD2-NH1 2.81Å
19	T	61.4	Low	84.2	Confident	151 Å²	151	78.6 Å²	78.6	93%	0.926	40%	0.397	S	S	*	.	S	Bend	trans	-68.3	21.9	-177.5	68.4	0	0	0	0	115.6
20	T	65.8	Low	84.6	Confident	54 Å²	54	71.7 Å²	71.7	33%	0.331	37%	0.37	S	S	.	.	S	Bend	trans	-118	118	-179.9	56.4	0	0	0	0	109.3	H18 L22	H18-T20 PolarHBondContact O-N 3.4Å; T20-L22 PolarHBondContact O-N 3.33Å
21	D	81.9	Confident	85.1	Confident	136 Å²	136	72.3 Å²	72.3	73%	0.727	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-50.9	137.9	174.2	-63.3	-42	0	0	0	111.4	P34	D21-P34 WeakPolarHBondContact O-CD 3.19Å; D21-P34 VanDerWaalsContact O-CG 3.3Å; D21-P34 WeakPolarHBondContact O-CG 3.15Å
22	L	91.8	Very high	85.5	Confident	21 Å²	21	69.5 Å²	69.5	11%	0.11	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-80	134	176.8	-60.5	168.5	0	0	0	109.9	L11 A14 L15 T20 L31 C32 V52	L11-L22 HydrophobicContact CD1-CD1 4.47Å; A14-L22 HydrophobicContact CB-CD1 3.98Å; L15-L22 HydrophobicContact CD2-CD1 4.25Å; L15-L22 HydrophobicContact CD2-CG 4.06Å; T20-L22 PolarHBondContact O-N 3.33Å; L22-L31 HydrophobicContact CB-CB 3.88Å; L22-L31 HydrophobicContact CB-CD1 4.28Å; L22-L31 HydrophobicContact CD1-CB 4.23Å; L22-L31 HydrophobicContact CD1-CD1 4.14Å; L22-C32 CarbonylContact C-O 3.52Å; L22-V52 HydrophobicContact CD1-CB 4.28Å; L22-V52 HydrophobicContact CD1-CG2 3.84Å; L22-V52 HydrophobicContact CD2-CG2 4.37Å
23	A	93.2	Very high	86	Confident	14 Å²	14	63.5 Å²	63.5	12%	0.116	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	132.3	174.8	0	0	0	0	0	110.6	L31 C32 P34 Y122	A23-L31 WeakPolarHBondContact O-CA 3.38Å; A23-C32 PolarHBondContact N-O 2.8Å; A23-C32 PolarHBondContact O-N 3.45Å; A23-P34 HydrophobicContact CB-CB 4.28Å; A23-Y122 HydrophobicContact CB-CE2 3.99Å
24	P	93.6	Very high	86.5	Confident	98 Å²	98	61 Å²	61	64%	0.636	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.1	147.2	171.5	29.9	-34.4	0	0	0	111.3	L31	P24-L31 HydrophobicContact CB-CD2 4.15Å
25	T	96.6	Very high	87.3	Confident	19 Å²	19	61.5 Å²	61.5	12%	0.117	33%	0.333	C	S	.	.			trans	-99.5	-175.8	172	71.6	0	0	0	0	110.9	N27 L30 C32 I110 A120	T25-N27 PolarHBondContact O-N 3.23Å; T25-N27 PolarHBondContact OG1-N 3.02Å; T25-N27 PolarHBondContact OG1-O 2.94Å; T25-N27 VanDerWaalsContact OG1-O 3.07Å; T25-L30 WeakPolarHBondContact CB-O 3.47Å; T25-L30 WeakPolarHBondContact CG2-O 3.32Å; T25-L30 PolarHBondContact N-O 2.58Å; T25-L30 PolarHBondContact OG1-O 3.36Å; T25-C32 HydrophobicContact CG2-CB 4.5Å; T25-I110 HydrophobicContact CG2-CD1 3.97Å; T25-A120 HydrophobicContact CG2-CB 4.24Å; T25-A120 WeakPolarHBondContact OG1-CB 3.04Å
26	S	96.8	Very high	87.9	Confident	66 Å²	66	60 Å²	60	46%	0.462	33%	0.327	S	S	.	.	S	Bend	trans	-62.9	-22.5	169.6	66.2	0	0	0	0	113.5	L121	S26-L121 PolarHBondContact N-O 3.47Å; S26-L121 WeakPolarHBondContact OG-CB 3.41Å; S26-L121 PolarHBondContact OG-N 3.26Å
27	N	94.9	Very high	88.8	Confident	32 Å²	32	55.7 Å²	55.7	17%	0.171	31%	0.314	C	S	.	.	S	Bend	trans	-93.4	121	176.1	-173.3	-36.9	0	0	0	109.2	T25 H29 L30 I118 V119 A120	T25-N27 PolarHBondContact O-N 3.23Å; T25-N27 PolarHBondContact OG1-N 3.02Å; T25-N27 PolarHBondContact OG1-O 2.94Å; T25-N27 VanDerWaalsContact OG1-O 3.07Å; N27-H29 PolarHBondContact O-N 3.28Å; N27-H29 VanDerWaalsContact O-N 3.11Å; N27-H29 PolarHBondContact OD1-CD2 3.34Å; N27-H29 PolarHBondContact OD1-N 2.96Å; N27-L30 HydrophobicContact CB-CB 4.29Å; N27-L30 HydrophobicContact CB-CD1 4.48Å; N27-L30 HydrophobicContact CB-CG 4.43Å; N27-L30 PolarHBondContact O-N 3.17Å; N27-L30 VanDerWaalsContact O-N 3.14Å; N27-I118 VanDerWaalsContact ND2-CG2 3.34Å; N27-I118 WeakPolarHBondContact ND2-CG2 3.24Å; N27-V119 PolarHBondContact ND2-O 2.83Å; N27-A120 HydrophobicContact CB-CB 3.85Å
28	P	93.4	Very high	90.1	Very high	88 Å²	88	54.4 Å²	54.4	57%	0.571	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-16.5	-175.8	27.5	-35	0	0	0	113.8
29	H	93.3	Very high	91.7	Very high	83 Å²	83	53.3 Å²	53.3	38%	0.384	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-5.1	179.5	-52.5	-76.1	0	0	0	113.7	N27 L54 I55	N27-H29 PolarHBondContact O-N 3.28Å; N27-H29 VanDerWaalsContact O-N 3.11Å; N27-H29 PolarHBondContact OD1-CD2 3.34Å; N27-H29 PolarHBondContact OD1-N 2.96Å; H29-L54 HydrophobicContact CB-CB 4.45Å; H29-L54 PolarHBondContact O-N 2.76Å; H29-I55 HydrophobicContact CB-CD1 3.72Å; H29-I55 HydrophobicContact CB-CG1 3.86Å
30	L	95.3	Very high	93.4	Very high	2 Å²	2	51.2 Å²	51.2	1%	0.01	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	122	-178.8	-63.7	-177.4	0	0	0	111.5	T25 N27 I112 I118 A120	T25-L30 WeakPolarHBondContact CB-O 3.47Å; T25-L30 WeakPolarHBondContact CG2-O 3.32Å; T25-L30 PolarHBondContact N-O 2.58Å; T25-L30 PolarHBondContact OG1-O 3.36Å; N27-L30 HydrophobicContact CB-CB 4.29Å; N27-L30 HydrophobicContact CB-CD1 4.48Å; N27-L30 HydrophobicContact CB-CG 4.43Å; N27-L30 PolarHBondContact O-N 3.17Å; N27-L30 VanDerWaalsContact O-N 3.14Å; L30-I112 HydrophobicContact CD1-CD1 3.64Å; L30-I112 HydrophobicContact CD1-CG1 4.36Å; L30-I112 HydrophobicContact CD2-CD1 3.5Å; L30-I112 HydrophobicContact CG-CD1 4.25Å; L30-I118 HydrophobicContact CD1-CG2 3.68Å; L30-I118 HydrophobicContact CG-CG2 4.46Å; L30-A120 HydrophobicContact CB-CB 4.17Å; L30-A120 HydrophobicContact CD1-CB 3.7Å
31	L	95.8	Very high	94.9	Very high	23 Å²	23	49.8 Å²	49.8	12%	0.12	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	154.7	176.2	-50.9	178.1	0	0	0	109.6	L11 L22 A23 P24 V51 V52 L54	L11-L31 HydrophobicContact CD1-CD1 3.63Å; L22-L31 HydrophobicContact CB-CB 3.88Å; L22-L31 HydrophobicContact CB-CD1 4.28Å; L22-L31 HydrophobicContact CD1-CB 4.23Å; L22-L31 HydrophobicContact CD1-CD1 4.14Å; A23-L31 WeakPolarHBondContact O-CA 3.38Å; P24-L31 HydrophobicContact CB-CD2 4.15Å; L31-V51 CarbonylContact O-C 3.03Å; L31-V51 WeakPolarHBondContact O-CA 3.32Å; L31-V52 HydrophobicContact CB-CB 4.49Å; L31-V52 PolarHBondContact N-O 3.35Å; L31-V52 PolarHBondContact O-N 2.66Å; L31-L54 HydrophobicContact CD1-CD1 4.37Å; L31-L54 HydrophobicContact CD1-CD2 4.42Å
32	C	95.8	Very high	95.7	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	164.6	179.8	67.4	0	0	0	0	113.5	L22 A23 T25 F49 R50 V51 I110	L22-C32 CarbonylContact C-O 3.52Å; A23-C32 PolarHBondContact N-O 2.8Å; A23-C32 PolarHBondContact O-N 3.45Å; T25-C32 HydrophobicContact CG2-CB 4.5Å; C32-F49 HydrophobicContact CB-CE2 3.91Å; C32-F49 HydrophobicContact CB-CZ 3.78Å; C32-R50 CarbonylContact C-O 3.53Å; C32-R50 WeakPolarHBondContact CA-O 3.49Å; C32-R50 WeakPolarHBondContact CB-O 3.39Å; C32-V51 HydrophobicContact CB-CG2 4.21Å; C32-I110 HydrophobicContact CB-CD1 4.23Å
33	T	95.4	Very high	96	Very high	4 Å²	4	51.1 Å²	51.1	3%	0.025	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-65.4	128.7	175.2	-51.7	0	0	0	0	110.9	L35 Q48 F49 R50	T33-L35 PolarHBondContact O-N 2.79Å; T33-Q48 PolarHBondContact OG1-O 2.88Å; T33-F49 WeakPolarHBondContact O-CE2 3.08Å; T33-R50 PolarHBondContact N-O 3.12Å; T33-R50 VanDerWaalsContact OG1-CB 3.32Å; T33-R50 WeakPolarHBondContact OG1-CB 3.37Å; T33-R50 PolarHBondContact OG1-N 3.45Å
34	P	95.3	Very high	96.2	Very high	57 Å²	57	52.6 Å²	52.6	37%	0.37	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-61.9	130.5	177	25.2	-34.8	0	0	0	111.2	D21 A23	D21-P34 WeakPolarHBondContact O-CD 3.19Å; D21-P34 VanDerWaalsContact O-CG 3.3Å; D21-P34 WeakPolarHBondContact O-CG 3.15Å; A23-P34 HydrophobicContact CB-CB 4.28Å
35	L	96.3	Very high	96.3	Very high	15 Å²	15	49.1 Å²	49.1	8%	0.079	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-94.1	150.7	-177.1	-72.2	176.7	0	0	0	112.9	T33 K37 L45 F49 F96 I108 Y122 A125 I126	T33-L35 PolarHBondContact O-N 2.79Å; L35-K37 PolarHBondContact O-N 3.11Å; L35-L45 HydrophobicContact CD2-CD1 3.62Å; L35-L45 HydrophobicContact CD2-CD2 3.97Å; L35-L45 HydrophobicContact CD2-CG 4.4Å; L35-F49 HydrophobicContact CD1-CD2 4.27Å; L35-F49 HydrophobicContact CD1-CE2 4.06Å; L35-F49 HydrophobicContact CD2-CD2 3.71Å; L35-F49 HydrophobicContact CD2-CE2 4.25Å; L35-F49 HydrophobicContact CG-CD2 3.99Å; L35-F49 HydrophobicContact CG-CE2 4.02Å; L35-F96 HydrophobicContact CD1-CE2 4.48Å; L35-F96 HydrophobicContact CD1-CZ 4.07Å; L35-I108 HydrophobicContact CD1-CD1 3.25Å; L35-Y122 HydrophobicContact CB-CE1 4.18Å; L35-Y122 HydrophobicContact CD1-CD1 4.41Å; L35-Y122 HydrophobicContact CD1-CE1 4.17Å; L35-Y122 HydrophobicContact CG-CE1 4.15Å; L35-Y122 PolarHBondContact N-OH 3.03Å; L35-A125 HydrophobicContact CD1-CB 4.37Å; L35-I126 HydrophobicContact CB-CB 4.48Å; L35-I126 HydrophobicContact CB-CD1 4.44Å; L35-I126 HydrophobicContact CD1-CG2 4.38Å
36	P	96.1	Very high	96.3	Very high	34 Å²	34	52.6 Å²	52.6	22%	0.221	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-59.1	126.1	172.9	-21.3	32.5	0	0	0	111	H38 W39 P46 I126	P36-H38 PolarHBondContact O-N 2.93Å; P36-W39 HydrophobicContact CB-CD2 4.44Å; P36-W39 HydrophobicContact CB-CE3 3.89Å; P36-W39 HydrophobicContact CG-CD2 4.32Å; P36-W39 HydrophobicContact CG-CE3 4.02Å; P36-P46 HydrophobicContact CG-CG 3.75Å; P36-I126 WeakPolarHBondContact O-CG1 3.37Å
37	K	96.9	Very high	96	Very high	140 Å²	140	51.8 Å²	51.8	61%	0.609	27%	0.274	S	S	*	.	S	Bend	trans	-57.2	-22.9	-178.9	-64.6	-55.6	-172.6	-170.7	0	114	L35 K127	L35-K37 PolarHBondContact O-N 3.11Å; K37-K127 WeakPolarHBondContact O-CB 3.46Å; K37-K127 PolarHBondContact O-N 3.01Å
38	H	97.8	Very high	96	Very high	48 Å²	48	54 Å²	54	22%	0.222	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	130.8	169.9	-176	-172.8	0	0	0	108.8	P36 K127 T129 G132 P133	P36-H38 PolarHBondContact O-N 2.93Å; H38-K127 CarbonylContact C-O 3.05Å; H38-K127 VanDerWaalsContact CA-O 3.29Å; H38-K127 WeakPolarHBondContact CA-O 3.48Å; H38-K127 HydrophobicContact CB-CB 4.46Å; H38-K127 PolarHBondContact CD2-O 3.07Å; H38-K127 WeakPolarHBondContact ND1-CE 3.08Å; H38-T129 PolarHBondContact NE2-OG1 3.06Å; H38-G132 PolarHBondContact CE1-O 2.87Å; H38-G132 VanDerWaalsContact NE2-C 3.35Å; H38-G132 WeakPolarHBondContact NE2-CA 3.34Å; H38-G132 PolarHBondContact NE2-O 2.85Å; H38-P133 HydrophobicContact CB-CG 4.24Å; H38-P133 VanDerWaalsContact O-CD 3.28Å; H38-P133 WeakPolarHBondContact O-CD 3.39Å; H38-P133 WeakPolarHBondContact O-CG 3.49Å
39	W	98.1	Very high	96.2	Very high	34 Å²	34	49.9 Å²	49.9	13%	0.129	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	167.3	176.3	-154.6	-122.1	0	0	0	113.8	P36 K43 S44 L45 P46 I126 K127 T129 G132	P36-W39 HydrophobicContact CB-CD2 4.44Å; P36-W39 HydrophobicContact CB-CE3 3.89Å; P36-W39 HydrophobicContact CG-CD2 4.32Å; P36-W39 HydrophobicContact CG-CE3 4.02Å; W39-K43 HydrophobicContact CH2-CD 4.32Å; W39-K43 HydrophobicContact CZ2-CD 3.62Å; W39-K43 HydrophobicContact CZ2-CG 4.16Å; W39-K43 PolarHBondContact NE1-O 2.89Å; W39-S44 WeakPolarHBondContact CZ2-O 3.46Å; W39-S44 PolarHBondContact NE1-O 3.47Å; W39-L45 HydrophobicContact CG-CD2 4.41Å; W39-P46 HydrophobicContact CE3-CG 4.46Å; W39-P46 HydrophobicContact CH2-CG 3.54Å; W39-P46 HydrophobicContact CZ2-CG 3.91Å; W39-P46 HydrophobicContact CZ3-CG 3.84Å; W39-I126 HydrophobicContact CB-CD1 3.76Å; W39-I126 HydrophobicContact CB-CG1 4.26Å; W39-K127 PolarHBondContact N-O 3.2Å; W39-T129 PolarHBondContact O-N 3.48Å; W39-T129 VanDerWaalsContact O-N 3.15Å; W39-G132 VanDerWaalsContact C-CA 3.44Å; W39-G132 WeakPolarHBondContact O-CA 3.46Å
40	R	97.8	Very high	96.3	Very high	107 Å²	107	46 Å²	46	40%	0.404	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	133	179.2	-176	175.7	177.9	101.5	6.4	110.4	K43 T129 V130 D131	R40-K43 HydrophobicContact CB-CB 3.9Å; R40-K43 HydrophobicContact CB-CD 4.16Å; R40-K43 HydrophobicContact CG-CB 4.27Å; R40-K43 WeakPolarHBondContact O-CB 3.47Å; R40-K43 PolarHBondContact O-N 3.16Å; R40-T129 CarbonylContact C-O 3.59Å; R40-T129 WeakPolarHBondContact CA-O 3.28Å; R40-V130 WeakPolarHBondContact CG-O 3.29Å; R40-V130 PolarHBondContact NE-O 2.9Å; R40-V130 PolarHBondContact NH1-O 3.3Å; R40-V130 PolarHBondContact NH2-O 2.93Å; R40-D131 IonicContact NH1-OD1 3.55Å
41	S	97.8	Very high	96.3	Very high	24 Å²	24	45.9 Å²	45.9	17%	0.168	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	137.4	175	54.2	0	0	0	0	112.2	K43 F96 T129 V130	S41-K43 PolarHBondContact O-N 2.7Å; S41-K43 VanDerWaalsContact O-N 3.17Å; S41-F96 CarbonylContact C-O 3.6Å; S41-F96 VanDerWaalsContact CA-O 3.25Å; S41-F96 WeakPolarHBondContact CA-O 3.13Å; S41-T129 PolarHBondContact N-O 3.5Å; S41-T129 PolarHBondContact OG-O 3.26Å; S41-V130 WeakPolarHBondContact OG-CA 3.42Å
42	N	98	Very high	96.3	Very high	80 Å²	80	44.9 Å²	44.9	43%	0.428	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	56	17.8	-176	-159.5	9.9	0	0	0	115.6	R95 F96 L97	N42-R95 WeakPolarHBondContact O-CD 3.29Å; N42-R95 PolarHBondContact O-NH1 3.27Å; N42-R95 WeakPolarHBondContact OD1-CD 3.47Å; N42-F96 PolarHBondContact N-O 3.14Å; N42-L97 HydrophobicContact CB-CG 4.39Å
43	K	97.6	Very high	96.3	Very high	106 Å²	106	45 Å²	45	46%	0.461	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-95.7	132.5	168.5	-169	-174.5	175.1	-169.3	0	109.7	W39 R40 S41	W39-K43 HydrophobicContact CH2-CD 4.32Å; W39-K43 HydrophobicContact CZ2-CD 3.62Å; W39-K43 HydrophobicContact CZ2-CG 4.16Å; W39-K43 PolarHBondContact NE1-O 2.89Å; R40-K43 HydrophobicContact CB-CB 3.9Å; R40-K43 HydrophobicContact CB-CD 4.16Å; R40-K43 HydrophobicContact CG-CB 4.27Å; R40-K43 WeakPolarHBondContact O-CB 3.47Å; R40-K43 PolarHBondContact O-N 3.16Å; S41-K43 PolarHBondContact O-N 2.7Å; S41-K43 VanDerWaalsContact O-N 3.17Å
44	S	97.8	Very high	96.2	Very high	44 Å²	44	46.2 Å²	46.2	31%	0.308	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-50.2	146.3	169.4	-53.2	0	0	0	0	111.5	W39 D93 R95	W39-S44 WeakPolarHBondContact CZ2-O 3.46Å; W39-S44 PolarHBondContact NE1-O 3.47Å; S44-D93 VanDerWaalsContact CB-OD1 3.29Å; S44-D93 WeakPolarHBondContact CB-OD1 3.34Å; S44-D93 PolarHBondContact OG-OD1 2.79Å; S44-R95 VanDerWaalsContact OG-CZ 3.26Å; S44-R95 PolarHBondContact OG-NE 2.72Å; S44-R95 PolarHBondContact OG-NH2 3.34Å; S44-R95 VanDerWaalsContact OG-NH2 3.17Å
45	L	96.8	Very high	96	Very high	25 Å²	25	46.5 Å²	46.5	13%	0.131	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-70.9	157.6	177.8	-66.9	168.3	0	0	0	111.5	L35 W39 S47 F49 L94 F96 I126	L35-L45 HydrophobicContact CD2-CD1 3.62Å; L35-L45 HydrophobicContact CD2-CD2 3.97Å; L35-L45 HydrophobicContact CD2-CG 4.4Å; W39-L45 HydrophobicContact CG-CD2 4.41Å; L45-S47 VanDerWaalsContact C-N 3.28Å; L45-S47 VanDerWaalsContact CB-O 3.31Å; L45-S47 WeakPolarHBondContact CB-O 3.41Å; L45-S47 PolarHBondContact O-N 2.91Å; L45-F49 HydrophobicContact CD1-CB 4.13Å; L45-L94 HydrophobicContact CD1-CB 4.35Å; L45-L94 HydrophobicContact CD1-CD2 4.41Å; L45-F96 HydrophobicContact CD1-CE2 4.4Å; L45-F96 HydrophobicContact CD2-CE2 4.25Å; L45-I126 HydrophobicContact CD2-CD1 4.25Å
46	P	94.8	Very high	95.8	Very high	92 Å²	92	49.2 Å²	49.2	60%	0.597	26%	0.256	S	S	*	.	S	Bend	trans	-65.7	-28.8	177.4	-20.8	32.7	0	0	0	114.4	P36 W39	P36-P46 HydrophobicContact CG-CG 3.75Å; W39-P46 HydrophobicContact CE3-CG 4.46Å; W39-P46 HydrophobicContact CH2-CG 3.54Å; W39-P46 HydrophobicContact CZ2-CG 3.91Å; W39-P46 HydrophobicContact CZ3-CG 3.84Å
47	S	92.3	Very high	95.8	Very high	50 Å²	50	47.8 Å²	47.8	35%	0.35	25%	0.247	S	C	.	.	S	Bend	trans	-131.6	156.1	176	-173.4	0	0	0	0	108.5	L45 F49	L45-S47 VanDerWaalsContact C-N 3.28Å; L45-S47 VanDerWaalsContact CB-O 3.31Å; L45-S47 WeakPolarHBondContact CB-O 3.41Å; L45-S47 PolarHBondContact O-N 2.91Å; S47-F49 PolarHBondContact O-N 3.27Å
48	Q	94.3	Very high	95.7	Very high	77 Å²	77	45.1 Å²	45.1	36%	0.36	24%	0.243	S	C	.	.			trans	-65.8	132.7	175.6	-167.3	173.2	17	0	0	109.7	T33 R50 F91	T33-Q48 PolarHBondContact OG1-O 2.88Å; Q48-R50 PolarHBondContact O-N 2.98Å; Q48-F91 WeakPolarHBondContact CG-O 3.44Å; Q48-F91 PolarHBondContact NE2-O 2.87Å
49	F	96.6	Very high	95.6	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.009	25%	0.254	C	S	.	.			trans	-75.7	122.9	173.5	-171.6	-108.6	0	0	0	109.4	C32 T33 L35 L45 S47 V51 V65 F91 L94 I110	C32-F49 HydrophobicContact CB-CE2 3.91Å; C32-F49 HydrophobicContact CB-CZ 3.78Å; T33-F49 WeakPolarHBondContact O-CE2 3.08Å; L35-F49 HydrophobicContact CD1-CD2 4.27Å; L35-F49 HydrophobicContact CD1-CE2 4.06Å; L35-F49 HydrophobicContact CD2-CD2 3.71Å; L35-F49 HydrophobicContact CD2-CE2 4.25Å; L35-F49 HydrophobicContact CG-CD2 3.99Å; L35-F49 HydrophobicContact CG-CE2 4.02Å; L45-F49 HydrophobicContact CD1-CB 4.13Å; S47-F49 PolarHBondContact O-N 3.27Å; F49-V51 HydrophobicContact CE1-CG2 3.81Å; F49-V51 HydrophobicContact CZ-CG2 4.24Å; F49-V65 HydrophobicContact CE1-CG2 3.97Å; F49-F91 HydrophobicContact CB-CB 4.44Å; F49-F91 AromaticContact CD1-CD2 3.63Å; F49-F91 HydrophobicContact CD1-CD2 3.63Å; F49-F91 HydrophobicContact CD1-CE2 4.04Å; F49-F91 HydrophobicContact CD1-CG 4.19Å; F49-F91 HydrophobicContact CE1-CD2 4.31Å; F49-F91 HydrophobicContact CE1-CE2 4.26Å; F49-F91 WeakPolarHBondContact O-CB 3.18Å; F49-F91 WeakPolarHBondContact O-CD2 3.41Å; F49-F91 PolarHBondContact O-N 2.92Å; F49-L94 HydrophobicContact CB-CB 4.47Å; F49-L94 HydrophobicContact CB-CD2 3.78Å; F49-L94 HydrophobicContact CD1-CD2 3.57Å; F49-L94 HydrophobicContact CE1-CD2 4.35Å; F49-L94 HydrophobicContact CG-CD2 3.78Å; F49-I110 HydrophobicContact CZ-CD1 4.37Å
50	R	95.4	Very high	95.6	Very high	1 Å²	1	47.5 Å²	47.5	0%	0.004	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	147.2	179.6	-53.2	160.7	64.5	-150.1	3.1	108.5	A14 H18 C32 T33 Q48 E88 A89 R90	A14-R50 PolarHBondContact O-NH1 3.33Å; A14-R50 PolarHBondContact O-NH2 3.16Å; A14-R50 VanDerWaalsContact O-NH2 3.11Å; H18-R50 PolarHBondContact CD2-NH1 2.81Å; C32-R50 CarbonylContact C-O 3.53Å; C32-R50 WeakPolarHBondContact CA-O 3.49Å; C32-R50 WeakPolarHBondContact CB-O 3.39Å; T33-R50 PolarHBondContact N-O 3.12Å; T33-R50 VanDerWaalsContact OG1-CB 3.32Å; T33-R50 WeakPolarHBondContact OG1-CB 3.37Å; T33-R50 PolarHBondContact OG1-N 3.45Å; Q48-R50 PolarHBondContact O-N 2.98Å; R50-E88 WeakPolarHBondContact CG-OE1 3.47Å; R50-E88 IonicContact CZ-OE1 2.78Å; R50-E88 IonicContact CZ-OE2 3.65Å; R50-E88 VanDerWaalsContact NE-CD 3.35Å; R50-E88 IonicContact NE-OE1 3.6Å; R50-E88 PolarHBondContact NE-OE1 2.94Å; R50-E88 IonicContact NE-OE2 3.24Å; R50-E88 VanDerWaalsContact NH2-CD 3.31Å; R50-E88 IonicContact NH2-OE1 3.45Å; R50-E88 PolarHBondContact NH2-OE1 2.59Å; R50-E88 IonicContact NH2-OE2 2.64Å; R50-E88 PolarHBondContact NH2-OE2 3.33Å; R50-A89 WeakPolarHBondContact CA-O 3.41Å; R50-R90 HydrophobicContact CG-CG 4.46Å
51	V	96.7	Very high	95.6	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	130.3	165.2	173.9	0	0	0	0	107.8	L31 C32 F49 E88 A89 F91 I110	L31-V51 CarbonylContact O-C 3.03Å; L31-V51 WeakPolarHBondContact O-CA 3.32Å; C32-V51 HydrophobicContact CB-CG2 4.21Å; F49-V51 HydrophobicContact CE1-CG2 3.81Å; F49-V51 HydrophobicContact CZ-CG2 4.24Å; V51-E88 CarbonylContact O-C 3.6Å; V51-E88 WeakPolarHBondContact O-CA 3.25Å; V51-E88 WeakPolarHBondContact O-CG 3.33Å; V51-A89 HydrophobicContact CB-CB 4.32Å; V51-A89 PolarHBondContact N-O 3.07Å; V51-A89 PolarHBondContact O-N 3.33Å; V51-F91 HydrophobicContact CG2-CE2 3.99Å; V51-I110 HydrophobicContact CG1-CG2 4.08Å; V51-I110 HydrophobicContact CG2-CD1 3.94Å; V51-I110 HydrophobicContact CG2-CG1 4.33Å; V51-I110 HydrophobicContact CG2-CG2 4.04Å
52	V	95.8	Very high	95.6	Very high	2 Å²	2	47 Å²	47	1%	0.012	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	131.9	-177.7	177.4	0	0	0	0	108.6	A14 L22 L31 E88	A14-V52 HydrophobicContact CB-CB 4.49Å; A14-V52 HydrophobicContact CB-CG1 3.94Å; A14-V52 HydrophobicContact CB-CG2 3.72Å; L22-V52 HydrophobicContact CD1-CB 4.28Å; L22-V52 HydrophobicContact CD1-CG2 3.84Å; L22-V52 HydrophobicContact CD2-CG2 4.37Å; L31-V52 HydrophobicContact CB-CB 4.49Å; L31-V52 PolarHBondContact N-O 3.35Å; L31-V52 PolarHBondContact O-N 2.66Å; V52-E88 HydrophobicContact CG2-CG 4Å
53	S	95	Very high	95.6	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.014	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	130.7	173.4	-170.4	0	0	0	0	111.7	T10 I55 H87	T10-S53 PolarHBondContact OG1-O 3.37Å; S53-I55 WeakPolarHBondContact CB-O 3.42Å; S53-I55 PolarHBondContact OG-N 2.68Å; S53-I55 PolarHBondContact OG-O 2.93Å; S53-H87 PolarHBondContact N-O 3.31Å
54	L	93.1	Very high	95.6	Very high	31 Å²	31	39.4 Å²	39.4	16%	0.162	23%	0.234	C	C	.	.	S	Bend	trans	-88.4	-14.8	169.5	-55.9	-177.2	0	0	0	112	A7 L11 H29 L31	A7-L54 HydrophobicContact CB-CB 4.07Å; A7-L54 WeakPolarHBondContact CB-O 3.34Å; L11-L54 HydrophobicContact CB-CD2 4.04Å; H29-L54 HydrophobicContact CB-CB 4.45Å; H29-L54 PolarHBondContact O-N 2.76Å; L31-L54 HydrophobicContact CD1-CD1 4.37Å; L31-L54 HydrophobicContact CD1-CD2 4.42Å
55	I	92.2	Very high	95.6	Very high	63 Å²	63	37.4 Å²	37.4	32%	0.323	22%	0.22	S	C	.	.	S	Bend	trans	-92.9	143.3	169.9	-77.8	172.6	0	0	0	109.2	H29 S53 V57	H29-I55 HydrophobicContact CB-CD1 3.72Å; H29-I55 HydrophobicContact CB-CG1 3.86Å; S53-I55 WeakPolarHBondContact CB-O 3.42Å; S53-I55 PolarHBondContact OG-N 2.68Å; S53-I55 PolarHBondContact OG-O 2.93Å; I55-V57 PolarHBondContact O-N 2.89Å
56	P	91.9	Very high	95.7	Very high	72 Å²	72	39.7 Å²	39.7	47%	0.468	24%	0.235	S	C	.	.			trans	-59.5	109.2	169.7	24.5	-34.1	0	0	0	111.1	L6	L6-P56 HydrophobicContact CD2-CB 4.05Å; L6-P56 HydrophobicContact CD2-CG 4.43Å
57	V	94.5	Very high	95.9	Very high	4 Å²	4	35.5 Å²	35.5	2%	0.024	21%	0.208	C	C	.	.			trans	-109.5	134.5	169.6	173.7	0	0	0	0	107.6	I55 T61 M84 H87 I112 T114	I55-V57 PolarHBondContact O-N 2.89Å; V57-T61 HydrophobicContact CG1-CG2 4.02Å; V57-M84 HydrophobicContact CB-CE 4.17Å; V57-M84 HydrophobicContact CB-CG 4.28Å; V57-M84 HydrophobicContact CG1-CB 4.37Å; V57-M84 HydrophobicContact CG1-CE 3.97Å; V57-M84 HydrophobicContact CG1-CG 3.91Å; V57-M84 HydrophobicContact CG2-CE 4.38Å; V57-H87 PolarHBondContact O-ND1 3.42Å; V57-I112 HydrophobicContact CG1-CG2 3.92Å; V57-T114 HydrophobicContact CG1-CG2 3.93Å; V57-T114 HydrophobicContact CG2-CG2 4.36Å
58	P	94.9	Very high	96.1	Very high	83 Å²	83	33.7 Å²	33.7	54%	0.539	20%	0.198	S	C	.	.			trans	-59.4	141.8	177.8	-24.3	34.5	0	0	0	113.1	T61	P58-T61 WeakPolarHBondContact O-CB 3.39Å; P58-T61 PolarHBondContact O-N 2.93Å; P58-T61 PolarHBondContact O-OG1 2.97Å
59	D	96.6	Very high	96.2	Very high	83 Å²	83	30.6 Å²	30.6	44%	0.444	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	144	168.8	-81.6	18.1	0	0	0	110.1	T61 M84 H85 G86	D59-T61 VanDerWaalsContact C-N 3.32Å; D59-M84 WeakPolarHBondContact CA-O 3.47Å; D59-H85 WeakPolarHBondContact OD1-CA 3.42Å; D59-H85 IonicContact OD2-CE1 3.57Å; D59-H85 IonicContact OD2-CG 3.71Å; D59-H85 IonicContact OD2-ND1 2.71Å; D59-H85 PolarHBondContact OD2-ND1 3.5Å; D59-G86 VanDerWaalsContact CG-N 3.29Å; D59-G86 PolarHBondContact OD1-N 3.31Å; D59-G86 PolarHBondContact OD2-N 2.86Å
60	G	97.1	Very high	96.2	Very high	49 Å²	49	37.1 Å²	37.1	51%	0.505	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.4	-15.7	-171.4	0	0	0	0	0	114.4	R62 I83 M84	G60-R62 PolarHBondContact O-N 2.9Å; G60-I83 VanDerWaalsContact CA-CG2 3.47Å; G60-M84 PolarHBondContact N-O 3.14Å
61	T	97.9	Very high	96	Very high	19 Å²	19	41.2 Å²	41.2	12%	0.117	23%	0.233	C	C	.	.			trans	-60.6	129.2	174.7	-61.3	0	0	0	0	111	V57 P58 D59 M84 I112 T114	V57-T61 HydrophobicContact CG1-CG2 4.02Å; P58-T61 WeakPolarHBondContact O-CB 3.39Å; P58-T61 PolarHBondContact O-N 2.93Å; P58-T61 PolarHBondContact O-OG1 2.97Å; D59-T61 VanDerWaalsContact C-N 3.32Å; T61-M84 WeakPolarHBondContact O-CB 3.29Å; T61-M84 PolarHBondContact O-N 2.84Å; T61-I112 HydrophobicContact CG2-CG2 3.61Å; T61-T114 HydrophobicContact CG2-CG2 4.11Å
62	R	98.1	Very high	95.9	Very high	103 Å²	103	48.1 Å²	48.1	39%	0.389	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	140.1	178	-69.8	-178.7	61.1	-126.7	-11.7	111.1	G60 T64 I83 E113	G60-R62 PolarHBondContact O-N 2.9Å; R62-T64 PolarHBondContact NH2-OG1 2.97Å; R62-I83 HydrophobicContact CG-CD1 3.79Å; R62-E113 HydrophobicContact CB-CB 4.19Å; R62-E113 HydrophobicContact CB-CG 4.21Å; R62-E113 WeakPolarHBondContact CB-OE2 3.31Å; R62-E113 WeakPolarHBondContact CD-OE2 3.37Å; R62-E113 IonicContact CZ-OE1 3.66Å; R62-E113 IonicContact CZ-OE2 3.31Å; R62-E113 VanDerWaalsContact CZ-OE2 3.3Å; R62-E113 IonicContact NE-OE1 3.18Å; R62-E113 IonicContact NE-OE2 3.59Å; R62-E113 IonicContact NH1-OE1 2.72Å; R62-E113 PolarHBondContact NH1-OE1 3.02Å; R62-E113 IonicContact NH1-OE2 2.99Å; R62-E113 PolarHBondContact NH1-OE2 2.9Å; R62-E113 IonicContact NH2-OE1 2.86Å; R62-E113 PolarHBondContact NH2-OE1 3.41Å; R62-E113 PolarHBondContact O-N 2.64Å
63	V	98.4	Very high	95.8	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	118.7	171.3	-171.1	0	0	0	0	109.1	T82 M84 A89 F91 I110 T111 I112	V63-T82 HydrophobicContact CB-CG2 4.45Å; V63-T82 PolarHBondContact N-O 3.06Å; V63-T82 PolarHBondContact O-N 2.91Å; V63-M84 HydrophobicContact CG2-CB 4.25Å; V63-M84 HydrophobicContact CG2-CE 3.95Å; V63-A89 HydrophobicContact CB-CB 3.85Å; V63-A89 HydrophobicContact CG1-CB 4.23Å; V63-A89 HydrophobicContact CG2-CB 3.56Å; V63-F91 HydrophobicContact CB-CZ 4.27Å; V63-F91 HydrophobicContact CG1-CE2 4.39Å; V63-F91 HydrophobicContact CG1-CZ 3.94Å; V63-I110 HydrophobicContact CG1-CG2 3.9Å; V63-T111 CarbonylContact C-O 3.56Å; V63-T111 WeakPolarHBondContact CA-O 3.4Å; V63-I112 HydrophobicContact CG1-CG1 4.03Å; V63-I112 HydrophobicContact CG2-CG1 4.05Å; V63-I112 HydrophobicContact CG2-CG2 4.27Å
64	T	98.3	Very high	95.8	Very high	26 Å²	26	58.4 Å²	58.4	16%	0.16	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	138.9	-177.1	-61.5	0	0	0	0	109.7	R62 P80 V81 T111 E113	R62-T64 PolarHBondContact NH2-OG1 2.97Å; T64-P80 CarbonylContact C-O 3.59Å; T64-P80 WeakPolarHBondContact CA-O 3.39Å; T64-V81 HydrophobicContact CG2-CG2 4.17Å; T64-T111 PolarHBondContact N-O 3.07Å; T64-T111 PolarHBondContact O-N 3.49Å; T64-E113 PolarHBondContact OG1-OE1 3.08Å
65	V	98.2	Very high	95.9	Very high	2 Å²	2	57.8 Å²	57.8	1%	0.012	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	125.6	179.4	162.8	0	0	0	0	109.2	F49 L77 P80 F91 L94 I108 T109 I110	F49-V65 HydrophobicContact CE1-CG2 3.97Å; V65-L77 HydrophobicContact CG1-CD1 4.05Å; V65-L77 WeakPolarHBondContact O-CD1 3.31Å; V65-P80 PolarHBondContact N-O 3.23Å; V65-P80 VanDerWaalsContact O-CB 3.27Å; V65-P80 WeakPolarHBondContact O-CB 3.47Å; V65-F91 HydrophobicContact CB-CE1 4.08Å; V65-F91 HydrophobicContact CB-CZ 4.24Å; V65-F91 HydrophobicContact CG2-CE1 3.67Å; V65-F91 HydrophobicContact CG2-CE2 3.95Å; V65-F91 HydrophobicContact CG2-CZ 3.35Å; V65-L94 HydrophobicContact CG1-CD1 4.46Å; V65-L94 HydrophobicContact CG1-CD2 4.35Å; V65-I108 HydrophobicContact CG1-CG2 3.84Å; V65-T109 WeakPolarHBondContact CA-O 3.46Å; V65-I110 HydrophobicContact CG2-CG1 4.23Å
66	T	97.9	Very high	96.2	Very high	72 Å²	72	61 Å²	61	44%	0.442	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	158.2	168.8	67.4	0	0	0	0	110.2	I108 T109	T66-I108 CarbonylContact O-C 3.27Å; T66-I108 WeakPolarHBondContact O-CA 3.3Å; T66-T109 PolarHBondContact N-O 3.48Å; T66-T109 PolarHBondContact O-N 2.86Å
67	A	98.1	Very high	96.5	Very high	4 Å²	4	58.8 Å²	58.8	3%	0.033	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	140	179.3	0	0	0	0	0	110.1	A75 L77 F96 F106 N107 I108	A67-A75 HydrophobicContact CB-CB 4.22Å; A67-A75 VanDerWaalsContact O-CB 3.3Å; A67-A75 WeakPolarHBondContact O-CB 3.21Å; A67-A75 PolarHBondContact O-N 3.41Å; A67-L77 HydrophobicContact CB-CD1 4.12Å; A67-L77 HydrophobicContact CB-CD2 4.07Å; A67-L77 HydrophobicContact CB-CG 4.45Å; A67-F96 HydrophobicContact CB-CD1 4.2Å; A67-F96 HydrophobicContact CB-CE1 3.94Å; A67-F106 HydrophobicContact CB-CB 4.15Å; A67-F106 HydrophobicContact CB-CD2 4.3Å; A67-F106 HydrophobicContact CB-CG 4.2Å; A67-N107 WeakPolarHBondContact CA-O 3.48Å; A67-I108 HydrophobicContact CB-CG1 4.2Å
68	G	97.5	Very high	96.7	Very high	13 Å²	13	62.3 Å²	62.3	13%	0.134	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.9	163.1	-175.9	0	0	0	0	0	114.2	R72 P73 N107	G68-R72 CarbonylContact C-O 3.49Å; G68-R72 WeakPolarHBondContact CA-O 3.41Å; G68-P73 WeakPolarHBondContact CA-O 3.46Å; G68-N107 PolarHBondContact N-O 2.9Å; G68-N107 PolarHBondContact O-N 3.38Å
69	N	97.2	Very high	96.8	Very high	12 Å²	12	61.4 Å²	61.4	6%	0.064	33%	0.33	C	S	.	.	B	Isolated β-bridge	trans	-157.3	-176.2	170.5	70	14.8	0	0	0	110.9	E71 R72 P73 S100 S105 F106	N69-E71 PolarHBondContact O-N 2.98Å; N69-E71 PolarHBondContact OD1-N 3.41Å; N69-R72 PolarHBondContact N-O 2.89Å; N69-R72 CarbonylContact O-C 3.45Å; N69-R72 PolarHBondContact O-N 3.48Å; N69-R72 VanDerWaalsContact O-N 3.08Å; N69-R72 PolarHBondContact OD1-N 3.12Å; N69-P73 WeakPolarHBondContact O-CA 3.12Å; N69-S100 PolarHBondContact ND2-O 2.91Å; N69-S105 WeakPolarHBondContact CB-O 3.37Å; N69-S105 PolarHBondContact ND2-O 2.99Å; N69-F106 HydrophobicContact CB-CD1 4.48Å
70	E	95.3	Very high	96.9	Very high	138 Å²	138	59.4 Å²	59.4	65%	0.645	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-14.6	-175.9	74.8	-57.9	141.6	0	0	115.1	K104	E70-K104 WeakPolarHBondContact OE1-CD 3.38Å; E70-K104 WeakPolarHBondContact OE1-CE 3.2Å; E70-K104 WeakPolarHBondContact OE1-CG 3.43Å; E70-K104 IonicContact OE1-NZ 3.59Å; E70-K104 PolarHBondContact OE1-NZ 2.72Å
71	E	92.2	Very high	96.9	Very high	87 Å²	87	60.1 Å²	60.1	41%	0.407	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	-24	172.1	-163.2	171.3	121.7	0	0	112.8	N69 G101 K104	N69-E71 PolarHBondContact O-N 2.98Å; N69-E71 PolarHBondContact OD1-N 3.41Å; E71-G101 WeakPolarHBondContact OE1-CA 3.4Å; E71-K104 HydrophobicContact CB-CD 4.26Å; E71-K104 WeakPolarHBondContact OE2-CD 3.34Å; E71-K104 WeakPolarHBondContact OE2-CE 3.46Å; E71-K104 IonicContact OE2-NZ 3.64Å; E71-K104 PolarHBondContact OE2-NZ 2.96Å
72	R	93.5	Very high	96.9	Very high	145 Å²	145	60.5 Å²	60.5	55%	0.547	32%	0.318	S	S	.	.	B	Isolated β-bridge	trans	-148.2	83.1	-169.9	-70.1	-62.4	177.8	151.5	-7.3	108.3	G68 N69 C74 F106	G68-R72 CarbonylContact C-O 3.49Å; G68-R72 WeakPolarHBondContact CA-O 3.41Å; N69-R72 PolarHBondContact N-O 2.89Å; N69-R72 CarbonylContact O-C 3.45Å; N69-R72 PolarHBondContact O-N 3.48Å; N69-R72 VanDerWaalsContact O-N 3.08Å; N69-R72 PolarHBondContact OD1-N 3.12Å; R72-C74 PolarHBondContact O-N 3.46Å; R72-F106 HydrophobicContact CB-CE1 3.99Å
73	P	94.7	Very high	96.9	Very high	112 Å²	112	59.4 Å²	59.4	73%	0.727	32%	0.319	S	S	*	.	S	Bend	trans	-61.5	-34.2	-174.4	22.4	-33.2	0	0	0	112.4	G68 N69	G68-P73 WeakPolarHBondContact CA-O 3.46Å; N69-P73 WeakPolarHBondContact O-CA 3.12Å
74	C	94.3	Very high	96.9	Very high	108 Å²	108	59.4 Å²	59.4	73%	0.73	32%	0.319	S	S	*	.	S	Bend	trans	-122.9	125.8	169.3	-60.9	0	0	0	0	109.7	R72	R72-C74 PolarHBondContact O-N 3.46Å
75	A	95.8	Very high	96.7	Very high	18 Å²	18	65 Å²	65	15%	0.149	34%	0.343	C	S	.	.			trans	-103.8	139.2	171.9	0	0	0	0	0	110.9	A67 F106	A67-A75 HydrophobicContact CB-CB 4.22Å; A67-A75 VanDerWaalsContact O-CB 3.3Å; A67-A75 WeakPolarHBondContact O-CB 3.21Å; A67-A75 PolarHBondContact O-N 3.41Å; A75-F106 HydrophobicContact CB-CD1 4.23Å; A75-F106 HydrophobicContact CB-CD2 4.45Å; A75-F106 HydrophobicContact CB-CE1 3.56Å; A75-F106 HydrophobicContact CB-CE2 3.81Å; A75-F106 HydrophobicContact CB-CZ 3.31Å
76	E	97.4	Very high	96.5	Very high	131 Å²	131	66.2 Å²	66.2	61%	0.612	36%	0.356	S	S	*	.			trans	-68.8	129.3	175.3	-170	-166.6	-179.5	0	0	111	L97 G98	E76-L97 HydrophobicContact CB-CB 4.16Å; E76-L97 HydrophobicContact CG-CB 4.11Å; E76-L97 HydrophobicContact CG-CD1 4.22Å; E76-L97 PolarHBondContact O-N 2.89Å; E76-G98 PolarHBondContact O-N 3.42Å
77	L	98.3	Very high	96.2	Very high	26 Å²	26	64.7 Å²	64.7	14%	0.136	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	144.9	-177.5	-61.5	-177	0	0	0	111.2	V65 A67 P80 R95 F96	V65-L77 HydrophobicContact CG1-CD1 4.05Å; V65-L77 WeakPolarHBondContact O-CD1 3.31Å; A67-L77 HydrophobicContact CB-CD1 4.12Å; A67-L77 HydrophobicContact CB-CD2 4.07Å; A67-L77 HydrophobicContact CB-CG 4.45Å; L77-P80 HydrophobicContact CB-CB 3.93Å; L77-P80 HydrophobicContact CB-CG 4.37Å; L77-P80 HydrophobicContact CD1-CB 4.14Å; L77-R95 CarbonylContact C-O 3.57Å; L77-R95 VanDerWaalsContact CA-O 3.3Å; L77-R95 WeakPolarHBondContact CA-O 3.25Å; L77-F96 HydrophobicContact CD2-CB 4.14Å; L77-F96 HydrophobicContact CD2-CD1 3.32Å; L77-F96 HydrophobicContact CD2-CE1 3.81Å; L77-F96 HydrophobicContact CD2-CG 3.87Å
78	K	98.1	Very high	96.1	Very high	77 Å²	77	65.2 Å²	65.2	34%	0.335	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	136.1	169.6	-160.5	-164.7	167.5	-160.7	0	108.8	P80 D93 L94 R95 L97	K78-P80 VanDerWaalsContact C-CD 3.47Å; K78-D93 IonicContact NZ-OD2 3.16Å; K78-D93 PolarHBondContact NZ-OD2 3.01Å; K78-L94 WeakPolarHBondContact O-CA 3.42Å; K78-R95 HydrophobicContact CB-CB 3.86Å; K78-R95 HydrophobicContact CB-CG 4.16Å; K78-R95 HydrophobicContact CD-CG 4.24Å; K78-R95 PolarHBondContact N-O 2.89Å; K78-R95 PolarHBondContact O-N 2.91Å; K78-L97 HydrophobicContact CB-CD1 3.82Å
79	N	97.8	Very high	96.1	Very high	65 Å²	65	64.6 Å²	64.6	35%	0.348	34%	0.339	S	S	.	.	S	Bend	trans	51.4	50.4	-179.1	-55.6	-3.2	0	0	0	113.7	V81 S92	N79-V81 PolarHBondContact O-N 2.97Å; N79-S92 WeakPolarHBondContact CB-O 3.46Å; N79-S92 PolarHBondContact ND2-O 2.94Å
80	P	98	Very high	96	Very high	40 Å²	40	68.3 Å²	68.3	26%	0.26	35%	0.353	S	S	.	.			trans	-77	3.4	-178.2	33.2	-36.3	0	0	0	114.9	T64 V65 L77 K78	T64-P80 CarbonylContact C-O 3.59Å; T64-P80 WeakPolarHBondContact CA-O 3.39Å; V65-P80 PolarHBondContact N-O 3.23Å; V65-P80 VanDerWaalsContact O-CB 3.27Å; V65-P80 WeakPolarHBondContact O-CB 3.47Å; L77-P80 HydrophobicContact CB-CB 3.93Å; L77-P80 HydrophobicContact CB-CG 4.37Å; L77-P80 HydrophobicContact CD1-CB 4.14Å; K78-P80 VanDerWaalsContact C-CD 3.47Å
81	V	98.3	Very high	96.1	Very high	64 Å²	64	61.8 Å²	61.8	39%	0.388	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	138.2	-178	-178.5	0	0	0	0	108.9	T64 N79	T64-V81 HydrophobicContact CG2-CG2 4.17Å; N79-V81 PolarHBondContact O-N 2.97Å
82	T	98	Very high	96.3	Very high	27 Å²	27	61.6 Å²	61.6	17%	0.166	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	-174.6	166.2	-160.6	0	0	0	0	110.6	V63 A89 R90 F91	V63-T82 HydrophobicContact CB-CG2 4.45Å; V63-T82 PolarHBondContact N-O 3.06Å; V63-T82 PolarHBondContact O-N 2.91Å; T82-A89 HydrophobicContact CG2-CB 3.74Å; T82-R90 WeakPolarHBondContact CB-O 3.44Å; T82-R90 PolarHBondContact OG1-O 2.83Å; T82-F91 HydrophobicContact CG2-CD1 3.87Å; T82-F91 HydrophobicContact CG2-CD2 3.74Å; T82-F91 HydrophobicContact CG2-CE1 3.72Å; T82-F91 HydrophobicContact CG2-CE2 3.59Å; T82-F91 HydrophobicContact CG2-CG 3.87Å; T82-F91 HydrophobicContact CG2-CZ 3.57Å
83	I	97.7	Very high	96.5	Very high	81 Å²	81	57 Å²	57	42%	0.415	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	142.7	-178.9	-57.7	-60.1	0	0	0	109.7	G60 R62	G60-I83 VanDerWaalsContact CA-CG2 3.47Å; R62-I83 HydrophobicContact CG-CD1 3.79Å
84	M	97.4	Very high	96.6	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	131.1	169.6	-168.9	71.5	81.2	0	0	110.4	V57 D59 G60 T61 V63 E88 A89 I112	V57-M84 HydrophobicContact CB-CE 4.17Å; V57-M84 HydrophobicContact CB-CG 4.28Å; V57-M84 HydrophobicContact CG1-CB 4.37Å; V57-M84 HydrophobicContact CG1-CE 3.97Å; V57-M84 HydrophobicContact CG1-CG 3.91Å; V57-M84 HydrophobicContact CG2-CE 4.38Å; D59-M84 WeakPolarHBondContact CA-O 3.47Å; G60-M84 PolarHBondContact N-O 3.14Å; T61-M84 WeakPolarHBondContact O-CB 3.29Å; T61-M84 PolarHBondContact O-N 2.84Å; V63-M84 HydrophobicContact CG2-CB 4.25Å; V63-M84 HydrophobicContact CG2-CE 3.95Å; M84-E88 PolarHBondContact SD-N 3.24Å; M84-E88 VanDerWaalsContact SD-N 3.4Å; M84-A89 HydrophobicContact CE-CB 4.49Å; M84-A89 HydrophobicContact SD-CB 4.04Å; M84-I112 HydrophobicContact CE-CD1 3.71Å; M84-I112 HydrophobicContact CE-CG1 4.42Å; M84-I112 HydrophobicContact CE-CG2 4.35Å
85	H	95.9	Very high	96.8	Very high	142 Å²	142	49.3 Å²	49.3	66%	0.657	26%	0.258	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-146.2	126.6	174.9	177.2	45.1	0	0	0	110.6	D59 H87 E88	D59-H85 WeakPolarHBondContact OD1-CA 3.42Å; D59-H85 IonicContact OD2-CE1 3.57Å; D59-H85 IonicContact OD2-CG 3.71Å; D59-H85 IonicContact OD2-ND1 2.71Å; D59-H85 PolarHBondContact OD2-ND1 3.5Å; H85-H87 PolarHBondContact O-N 3.49Å; H85-E88 PolarHBondContact N-O 2.76Å; H85-E88 PolarHBondContact O-N 3.17Å
86	G	92.7	Very high	96.9	Very high	28 Å²	28	48.7 Å²	48.7	29%	0.289	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.7	34.6	-176.5	0	0	0	0	0	113.3	D59 E88	D59-G86 VanDerWaalsContact CG-N 3.29Å; D59-G86 PolarHBondContact OD1-N 3.31Å; D59-G86 PolarHBondContact OD2-N 2.86Å; G86-E88 PolarHBondContact O-N 2.96Å
87	H	93	Very high	96.9	Very high	40 Å²	40	44.7 Å²	44.7	19%	0.185	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	63	19.1	-171.2	-45.6	-51.6	0	0	0	115.5	T10 S53 V57 H85	T10-H87 HydrophobicContact CG2-CB 4.02Å; S53-H87 PolarHBondContact N-O 3.31Å; V57-H87 PolarHBondContact O-ND1 3.42Å; H85-H87 PolarHBondContact O-N 3.49Å
88	E	95.1	Very high	96.8	Very high	15 Å²	15	44.2 Å²	44.2	7%	0.07	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	135.7	173.8	-163.5	-166.9	137.5	0	0	113.1	R50 V51 V52 M84 H85 G86 R90	R50-E88 WeakPolarHBondContact CG-OE1 3.47Å; R50-E88 IonicContact CZ-OE1 2.78Å; R50-E88 IonicContact CZ-OE2 3.65Å; R50-E88 VanDerWaalsContact NE-CD 3.35Å; R50-E88 IonicContact NE-OE1 3.6Å; R50-E88 PolarHBondContact NE-OE1 2.94Å; R50-E88 IonicContact NE-OE2 3.24Å; R50-E88 VanDerWaalsContact NH2-CD 3.31Å; R50-E88 IonicContact NH2-OE1 3.45Å; R50-E88 PolarHBondContact NH2-OE1 2.59Å; R50-E88 IonicContact NH2-OE2 2.64Å; R50-E88 PolarHBondContact NH2-OE2 3.33Å; V51-E88 CarbonylContact O-C 3.6Å; V51-E88 WeakPolarHBondContact O-CA 3.25Å; V51-E88 WeakPolarHBondContact O-CG 3.33Å; V52-E88 HydrophobicContact CG2-CG 4Å; M84-E88 PolarHBondContact SD-N 3.24Å; M84-E88 VanDerWaalsContact SD-N 3.4Å; H85-E88 PolarHBondContact N-O 2.76Å; H85-E88 PolarHBondContact O-N 3.17Å; G86-E88 PolarHBondContact O-N 2.96Å; E88-R90 VanDerWaalsContact CD-NE 3.3Å; E88-R90 HydrophobicContact CG-CG 4.43Å; E88-R90 WeakPolarHBondContact OE1-CD 3.27Å; E88-R90 WeakPolarHBondContact OE1-CG 3.45Å; E88-R90 IonicContact OE1-CZ 3.17Å; E88-R90 IonicContact OE1-NE 2.88Å; E88-R90 PolarHBondContact OE1-NE 2.88Å; E88-R90 IonicContact OE1-NH2 3.47Å; E88-R90 PolarHBondContact OE1-NH2 3.04Å; E88-R90 IonicContact OE2-CZ 2.76Å; E88-R90 IonicContact OE2-NE 2.76Å; E88-R90 IonicContact OE2-NH2 3.59Å; E88-R90 PolarHBondContact OE2-NH2 2.7Å
89	A	96.6	Very high	96.8	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	107.8	175.3	0	0	0	0	0	110.8	R50 V51 V63 T82 M84	R50-A89 WeakPolarHBondContact CA-O 3.41Å; V51-A89 HydrophobicContact CB-CB 4.32Å; V51-A89 PolarHBondContact N-O 3.07Å; V51-A89 PolarHBondContact O-N 3.33Å; V63-A89 HydrophobicContact CB-CB 3.85Å; V63-A89 HydrophobicContact CG1-CB 4.23Å; V63-A89 HydrophobicContact CG2-CB 3.56Å; T82-A89 HydrophobicContact CG2-CB 3.74Å; M84-A89 HydrophobicContact CE-CB 4.49Å; M84-A89 HydrophobicContact SD-CB 4.04Å
90	R	96.1	Very high	96.8	Very high	91 Å²	91	44.2 Å²	44.2	34%	0.343	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	115	-177.7	-67.9	-174.5	-178.6	-175.9	3.9	111.1	E17 R50 T82 E88	E17-R90 IonicContact OE2-CZ 3.42Å; E17-R90 IonicContact OE2-NH1 2.7Å; E17-R90 IonicContact OE2-NH2 3.6Å; E17-R90 PolarHBondContact OE2-NH2 3.33Å; R50-R90 HydrophobicContact CG-CG 4.46Å; T82-R90 WeakPolarHBondContact CB-O 3.44Å; T82-R90 PolarHBondContact OG1-O 2.83Å; E88-R90 VanDerWaalsContact CD-NE 3.3Å; E88-R90 HydrophobicContact CG-CG 4.43Å; E88-R90 WeakPolarHBondContact OE1-CD 3.27Å; E88-R90 WeakPolarHBondContact OE1-CG 3.45Å; E88-R90 IonicContact OE1-CZ 3.17Å; E88-R90 IonicContact OE1-NE 2.88Å; E88-R90 PolarHBondContact OE1-NE 2.88Å; E88-R90 IonicContact OE1-NH2 3.47Å; E88-R90 PolarHBondContact OE1-NH2 3.04Å; E88-R90 IonicContact OE2-CZ 2.76Å; E88-R90 IonicContact OE2-NE 2.76Å; E88-R90 IonicContact OE2-NH2 3.59Å; E88-R90 PolarHBondContact OE2-NH2 2.7Å
91	F	97.6	Very high	96.6	Very high	1 Å²	1	43 Å²	43	0%	0.004	22%	0.223	C	C	.	.			trans	-84.5	119.3	178.9	-69	-97.1	0	0	0	110.9	Q48 F49 V51 V63 V65 T82 D93 L94	Q48-F91 WeakPolarHBondContact CG-O 3.44Å; Q48-F91 PolarHBondContact NE2-O 2.87Å; F49-F91 HydrophobicContact CB-CB 4.44Å; F49-F91 AromaticContact CD1-CD2 3.63Å; F49-F91 HydrophobicContact CD1-CD2 3.63Å; F49-F91 HydrophobicContact CD1-CE2 4.04Å; F49-F91 HydrophobicContact CD1-CG 4.19Å; F49-F91 HydrophobicContact CE1-CD2 4.31Å; F49-F91 HydrophobicContact CE1-CE2 4.26Å; F49-F91 WeakPolarHBondContact O-CB 3.18Å; F49-F91 WeakPolarHBondContact O-CD2 3.41Å; F49-F91 PolarHBondContact O-N 2.92Å; V51-F91 HydrophobicContact CG2-CE2 3.99Å; V63-F91 HydrophobicContact CB-CZ 4.27Å; V63-F91 HydrophobicContact CG1-CE2 4.39Å; V63-F91 HydrophobicContact CG1-CZ 3.94Å; V65-F91 HydrophobicContact CB-CE1 4.08Å; V65-F91 HydrophobicContact CB-CZ 4.24Å; V65-F91 HydrophobicContact CG2-CE1 3.67Å; V65-F91 HydrophobicContact CG2-CE2 3.95Å; V65-F91 HydrophobicContact CG2-CZ 3.35Å; T82-F91 HydrophobicContact CG2-CD1 3.87Å; T82-F91 HydrophobicContact CG2-CD2 3.74Å; T82-F91 HydrophobicContact CG2-CE1 3.72Å; T82-F91 HydrophobicContact CG2-CE2 3.59Å; T82-F91 HydrophobicContact CG2-CG 3.87Å; T82-F91 HydrophobicContact CG2-CZ 3.57Å; F91-D93 PolarHBondContact O-N 3.27Å; F91-L94 HydrophobicContact CB-CB 3.99Å
92	S	95.8	Very high	96.4	Very high	82 Å²	82	51.4 Å²	51.4	57%	0.573	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.5	112.7	176.5	-172.5	0	0	0	0	110.3	N79 L94	N79-S92 WeakPolarHBondContact CB-O 3.46Å; N79-S92 PolarHBondContact ND2-O 2.94Å; S92-L94 PolarHBondContact O-N 2.82Å
93	D	96.9	Very high	96.2	Very high	48 Å²	48	53.1 Å²	53.1	26%	0.257	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.1	48.4	176.7	-175.5	45.3	0	0	0	114.3	S44 K78 F91 R95	S44-D93 VanDerWaalsContact CB-OD1 3.29Å; S44-D93 WeakPolarHBondContact CB-OD1 3.34Å; S44-D93 PolarHBondContact OG-OD1 2.79Å; K78-D93 IonicContact NZ-OD2 3.16Å; K78-D93 PolarHBondContact NZ-OD2 3.01Å; F91-D93 PolarHBondContact O-N 3.27Å; D93-R95 WeakPolarHBondContact O-CG 3.29Å; D93-R95 PolarHBondContact O-N 3.31Å; D93-R95 IonicContact OD1-CZ 2.65Å; D93-R95 IonicContact OD1-NE 3.84Å; D93-R95 PolarHBondContact OD1-NE 3.29Å; D93-R95 IonicContact OD1-NH2 2.74Å; D93-R95 PolarHBondContact OD1-NH2 2.77Å; D93-R95 IonicContact OD2-CZ 2.91Å; D93-R95 VanDerWaalsContact OD2-CZ 3.23Å; D93-R95 IonicContact OD2-NE 3.92Å; D93-R95 PolarHBondContact OD2-NE 2.84Å; D93-R95 IonicContact OD2-NH2 3.55Å; D93-R95 PolarHBondContact OD2-NH2 2.88Å
94	L	98.1	Very high	96.2	Very high	4 Å²	4	52.6 Å²	52.6	2%	0.021	27%	0.266	C	S	.	.			trans	-57.5	126.9	171.3	179.9	67.4	0	0	0	110.2	L45 F49 V65 K78 F91 S92	L45-L94 HydrophobicContact CD1-CB 4.35Å; L45-L94 HydrophobicContact CD1-CD2 4.41Å; F49-L94 HydrophobicContact CB-CB 4.47Å; F49-L94 HydrophobicContact CB-CD2 3.78Å; F49-L94 HydrophobicContact CD1-CD2 3.57Å; F49-L94 HydrophobicContact CE1-CD2 4.35Å; F49-L94 HydrophobicContact CG-CD2 3.78Å; V65-L94 HydrophobicContact CG1-CD1 4.46Å; V65-L94 HydrophobicContact CG1-CD2 4.35Å; K78-L94 WeakPolarHBondContact O-CA 3.42Å; F91-L94 HydrophobicContact CB-CB 3.99Å; S92-L94 PolarHBondContact O-N 2.82Å
95	R	98.3	Very high	96.2	Very high	56 Å²	56	54.2 Å²	54.2	21%	0.211	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	150.6	175.7	-44.3	-171.4	-173.3	-168.8	3.7	112.4	N42 S44 L77 K78 D93	N42-R95 WeakPolarHBondContact O-CD 3.29Å; N42-R95 PolarHBondContact O-NH1 3.27Å; N42-R95 WeakPolarHBondContact OD1-CD 3.47Å; S44-R95 VanDerWaalsContact OG-CZ 3.26Å; S44-R95 PolarHBondContact OG-NE 2.72Å; S44-R95 PolarHBondContact OG-NH2 3.34Å; S44-R95 VanDerWaalsContact OG-NH2 3.17Å; L77-R95 CarbonylContact C-O 3.57Å; L77-R95 VanDerWaalsContact CA-O 3.3Å; L77-R95 WeakPolarHBondContact CA-O 3.25Å; K78-R95 HydrophobicContact CB-CB 3.86Å; K78-R95 HydrophobicContact CB-CG 4.16Å; K78-R95 HydrophobicContact CD-CG 4.24Å; K78-R95 PolarHBondContact N-O 2.89Å; K78-R95 PolarHBondContact O-N 2.91Å; D93-R95 WeakPolarHBondContact O-CG 3.29Å; D93-R95 PolarHBondContact O-N 3.31Å; D93-R95 IonicContact OD1-CZ 2.65Å; D93-R95 IonicContact OD1-NE 3.84Å; D93-R95 PolarHBondContact OD1-NE 3.29Å; D93-R95 IonicContact OD1-NH2 2.74Å; D93-R95 PolarHBondContact OD1-NH2 2.77Å; D93-R95 IonicContact OD2-CZ 2.91Å; D93-R95 VanDerWaalsContact OD2-CZ 3.23Å; D93-R95 IonicContact OD2-NE 3.92Å; D93-R95 PolarHBondContact OD2-NE 2.84Å; D93-R95 IonicContact OD2-NH2 3.55Å; D93-R95 PolarHBondContact OD2-NH2 2.88Å
96	F	98.3	Very high	96.4	Very high	4 Å²	4	47.5 Å²	47.5	2%	0.018	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	114.8	172.2	-57.4	-99.5	0	0	0	108.9	L35 S41 N42 L45 A67 L77 F106 I108 I126 V128	L35-F96 HydrophobicContact CD1-CE2 4.48Å; L35-F96 HydrophobicContact CD1-CZ 4.07Å; S41-F96 CarbonylContact C-O 3.6Å; S41-F96 VanDerWaalsContact CA-O 3.25Å; S41-F96 WeakPolarHBondContact CA-O 3.13Å; N42-F96 PolarHBondContact N-O 3.14Å; L45-F96 HydrophobicContact CD1-CE2 4.4Å; L45-F96 HydrophobicContact CD2-CE2 4.25Å; A67-F96 HydrophobicContact CB-CD1 4.2Å; A67-F96 HydrophobicContact CB-CE1 3.94Å; L77-F96 HydrophobicContact CD2-CB 4.14Å; L77-F96 HydrophobicContact CD2-CD1 3.32Å; L77-F96 HydrophobicContact CD2-CE1 3.81Å; L77-F96 HydrophobicContact CD2-CG 3.87Å; F96-F106 HydrophobicContact CD1-CD2 4.1Å; F96-F106 HydrophobicContact CD1-CE2 4.46Å; F96-I108 HydrophobicContact CE1-CD1 3.83Å; F96-I108 HydrophobicContact CE1-CG1 4.23Å; F96-I108 HydrophobicContact CZ-CD1 3.64Å; F96-I126 HydrophobicContact CD1-CG2 4.25Å; F96-I126 HydrophobicContact CD2-CD1 4Å; F96-I126 HydrophobicContact CE1-CG2 3.76Å; F96-I126 HydrophobicContact CE2-CD1 3.82Å; F96-I126 HydrophobicContact CE2-CG2 4.37Å; F96-I126 HydrophobicContact CZ-CD1 4.35Å; F96-I126 HydrophobicContact CZ-CG2 3.85Å; F96-V128 HydrophobicContact CB-CB 4.4Å; F96-V128 HydrophobicContact CB-CG1 3.91Å; F96-V128 HydrophobicContact CB-CG2 3.7Å; F96-V128 HydrophobicContact CD1-CG2 4.19Å; F96-V128 HydrophobicContact CG-CG2 3.91Å
97	L	97.8	Very high	96.6	Very high	47 Å²	47	48.6 Å²	48.6	25%	0.246	25%	0.245	C	C	.	.			trans	-89	-43.6	172.6	-60.3	87.8	0	0	0	110.1	N42 E76 K78	N42-L97 HydrophobicContact CB-CG 4.39Å; E76-L97 HydrophobicContact CB-CB 4.16Å; E76-L97 HydrophobicContact CG-CB 4.11Å; E76-L97 HydrophobicContact CG-CD1 4.22Å; E76-L97 PolarHBondContact O-N 2.89Å; K78-L97 HydrophobicContact CB-CD1 3.82Å
98	G	95.2	Very high	96.8	Very high	17 Å²	17	46.7 Å²	46.7	18%	0.175	24%	0.237	C	C	.	.	S	Bend	trans	-56.9	143.8	173.7	0	0	0	0	0	112.7	E76 F106 V128	E76-G98 PolarHBondContact O-N 3.42Å; G98-F106 WeakPolarHBondContact O-CE2 3.34Å; G98-V128 WeakPolarHBondContact O-CG1 3.34Å
99	R	97.4	Very high	97	Very high	142 Å²	142	48 Å²	48	54%	0.536	25%	0.246	S	C	.	.			trans	-97.7	138.4	176	-61.5	170.8	65.1	171.7	-0.6	109.7	G101 F106 V128	R99-G101 VanDerWaalsContact C-N 3.29Å; R99-G101 PolarHBondContact O-N 2.78Å; R99-F106 VanDerWaalsContact C-CZ 3.42Å; R99-V128 WeakPolarHBondContact CA-O 3.45Å
100	S	97.8	Very high	97.1	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.246	C	C	.	.			trans	-84	6.4	-172.6	63.9	0	0	0	0	115.6	N69 K104 F106 K127 V128	N69-S100 PolarHBondContact ND2-O 2.91Å; S100-K104 WeakPolarHBondContact O-CB 3.4Å; S100-K104 PolarHBondContact OG-O 3.38Å; S100-F106 VanDerWaalsContact CA-CZ 3.44Å; S100-K127 WeakPolarHBondContact OG-CA 3.46Å; S100-V128 PolarHBondContact N-O 3.19Å; S100-V128 PolarHBondContact OG-N 3.05Å
101	G	94.8	Very high	97.2	Very high	13 Å²	13	45.5 Å²	45.5	13%	0.134	24%	0.241	C	C	.	.			trans	89.6	178.7	-172	0	0	0	0	0	114.1	E71 R99	E71-G101 WeakPolarHBondContact OE1-CA 3.4Å; R99-G101 VanDerWaalsContact C-N 3.29Å; R99-G101 PolarHBondContact O-N 2.78Å
102	R	94.5	Very high	97.2	Very high	241 Å²	241	45.5 Å²	45.5	91%	0.909	24%	0.241	S	C	*	.	S	Bend	trans	-83.5	119.2	179.3	-178	178.2	171.6	91.3	0.4	110	K104	R102-K104 PolarHBondContact O-N 3.05Å; R102-K104 VanDerWaalsContact O-N 3.11Å
103	G	94	Very high	97.2	Very high	63 Å²	63	45 Å²	45	65%	0.649	23%	0.23	S	C	*	.	S	Bend	trans	80.6	-26.3	178.4	0	0	0	0	0	114.6
104	K	97.2	Very high	97.2	Very high	71 Å²	71	43.9 Å²	43.9	31%	0.309	22%	0.224	S	C	.	.			trans	-75.9	154	-179.9	-67.2	161.3	170.9	-155.9	0	113.6	E70 E71 S100 R102 K127	E70-K104 WeakPolarHBondContact OE1-CD 3.38Å; E70-K104 WeakPolarHBondContact OE1-CE 3.2Å; E70-K104 WeakPolarHBondContact OE1-CG 3.43Å; E70-K104 IonicContact OE1-NZ 3.59Å; E70-K104 PolarHBondContact OE1-NZ 2.72Å; E71-K104 HydrophobicContact CB-CD 4.26Å; E71-K104 WeakPolarHBondContact OE2-CD 3.34Å; E71-K104 WeakPolarHBondContact OE2-CE 3.46Å; E71-K104 IonicContact OE2-NZ 3.64Å; E71-K104 PolarHBondContact OE2-NZ 2.96Å; S100-K104 WeakPolarHBondContact O-CB 3.4Å; S100-K104 PolarHBondContact OG-O 3.38Å; R102-K104 PolarHBondContact O-N 3.05Å; R102-K104 VanDerWaalsContact O-N 3.11Å; K104-K127 WeakPolarHBondContact O-CG 3.44Å
105	S	98.1	Very high	97	Very high	34 Å²	34	50.8 Å²	50.8	24%	0.238	27%	0.267	C	S	.	.			trans	-115.7	157.6	173.5	-58.8	0	0	0	0	110.1	N69 I126	N69-S105 WeakPolarHBondContact CB-O 3.37Å; N69-S105 PolarHBondContact ND2-O 2.99Å; S105-I126 CarbonylContact C-O 3.57Å; S105-I126 WeakPolarHBondContact CA-O 3.45Å
106	F	98.3	Very high	96.9	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	142.5	163.7	-65.6	-51.3	0	0	0	110.6	A67 N69 R72 A75 F96 G98 R99 S100 R124 A125 I126 V128	A67-F106 HydrophobicContact CB-CB 4.15Å; A67-F106 HydrophobicContact CB-CD2 4.3Å; A67-F106 HydrophobicContact CB-CG 4.2Å; N69-F106 HydrophobicContact CB-CD1 4.48Å; R72-F106 HydrophobicContact CB-CE1 3.99Å; A75-F106 HydrophobicContact CB-CD1 4.23Å; A75-F106 HydrophobicContact CB-CD2 4.45Å; A75-F106 HydrophobicContact CB-CE1 3.56Å; A75-F106 HydrophobicContact CB-CE2 3.81Å; A75-F106 HydrophobicContact CB-CZ 3.31Å; F96-F106 HydrophobicContact CD1-CD2 4.1Å; F96-F106 HydrophobicContact CD1-CE2 4.46Å; G98-F106 WeakPolarHBondContact O-CE2 3.34Å; R99-F106 VanDerWaalsContact C-CZ 3.42Å; S100-F106 VanDerWaalsContact CA-CZ 3.44Å; F106-R124 CarbonylContact O-C 3.59Å; F106-A125 PolarHBondContact O-N 3.32Å; F106-I126 HydrophobicContact CB-CG2 4.38Å; F106-I126 PolarHBondContact N-O 3.11Å; F106-V128 HydrophobicContact CD2-CB 4.41Å; F106-V128 HydrophobicContact CD2-CG2 3.78Å; F106-V128 HydrophobicContact CE2-CB 3.96Å; F106-V128 HydrophobicContact CE2-CG2 3.76Å
107	N	98.1	Very high	96.8	Very high	51 Å²	51	57.1 Å²	57.1	27%	0.273	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	148.7	150.3	-55.8	-42.9	0	0	0	107.7	A67 G68 L121 A123 R124	A67-N107 WeakPolarHBondContact CA-O 3.48Å; G68-N107 PolarHBondContact N-O 2.9Å; G68-N107 PolarHBondContact O-N 3.38Å; N107-L121 HydrophobicContact CB-CD1 4.05Å; N107-A123 WeakPolarHBondContact OD1-CA 3.26Å; N107-R124 PolarHBondContact OD1-N 3.47Å
108	I	97.8	Very high	96.7	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	128.1	175.9	-69	172.2	0	0	0	108.6	L35 V65 T66 A67 F96 I110 L121 Y122 A125 I126	L35-I108 HydrophobicContact CD1-CD1 3.25Å; V65-I108 HydrophobicContact CG1-CG2 3.84Å; T66-I108 CarbonylContact O-C 3.27Å; T66-I108 WeakPolarHBondContact O-CA 3.3Å; A67-I108 HydrophobicContact CB-CG1 4.2Å; F96-I108 HydrophobicContact CE1-CD1 3.83Å; F96-I108 HydrophobicContact CE1-CG1 4.23Å; F96-I108 HydrophobicContact CZ-CD1 3.64Å; I108-I110 HydrophobicContact CG2-CG1 4.28Å; I108-L121 WeakPolarHBondContact O-CA 3.42Å; I108-Y122 PolarHBondContact N-O 3.36Å; I108-Y122 PolarHBondContact O-N 2.77Å; I108-A125 HydrophobicContact CD1-CB 3.71Å; I108-A125 HydrophobicContact CG1-CB 4.09Å; I108-I126 HydrophobicContact CD1-CG2 3.96Å
109	T	98.2	Very high	96.8	Very high	43 Å²	43	59.6 Å²	59.6	26%	0.264	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	124	173.7	-54.6	0	0	0	0	108.4	V65 T66 V119 A120	V65-T109 WeakPolarHBondContact CA-O 3.46Å; T66-T109 PolarHBondContact N-O 3.48Å; T66-T109 PolarHBondContact O-N 2.86Å; T109-V119 HydrophobicContact CG2-CG1 3.61Å; T109-A120 WeakPolarHBondContact CA-O 3.49Å
110	I	98.3	Very high	96.9	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	123.9	175.5	-60.1	158.7	0	0	0	106.5	T25 C32 F49 V51 V63 V65 I108 V119 A120	T25-I110 HydrophobicContact CG2-CD1 3.97Å; C32-I110 HydrophobicContact CB-CD1 4.23Å; F49-I110 HydrophobicContact CZ-CD1 4.37Å; V51-I110 HydrophobicContact CG1-CG2 4.08Å; V51-I110 HydrophobicContact CG2-CD1 3.94Å; V51-I110 HydrophobicContact CG2-CG1 4.33Å; V51-I110 HydrophobicContact CG2-CG2 4.04Å; V63-I110 HydrophobicContact CG1-CG2 3.9Å; V65-I110 HydrophobicContact CG2-CG1 4.23Å; I108-I110 HydrophobicContact CG2-CG1 4.28Å; I110-V119 CarbonylContact O-C 3.57Å; I110-V119 WeakPolarHBondContact O-CA 3.37Å; I110-A120 HydrophobicContact CB-CB 4.3Å; I110-A120 PolarHBondContact N-O 2.89Å; I110-A120 PolarHBondContact O-N 3.41Å
111	T	98	Very high	96.9	Very high	39 Å²	39	55.8 Å²	55.8	24%	0.239	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	122.8	176.7	-58.6	0	0	0	0	108.9	V63 T64 V119	V63-T111 CarbonylContact C-O 3.56Å; V63-T111 WeakPolarHBondContact CA-O 3.4Å; T64-T111 PolarHBondContact N-O 3.07Å; T64-T111 PolarHBondContact O-N 3.49Å; T111-V119 HydrophobicContact CG2-CG2 4.36Å
112	I	98.1	Very high	97	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	125.4	171.8	-55.4	178.6	0	0	0	107.3	L30 V57 T61 V63 M84 T114 P117 I118	L30-I112 HydrophobicContact CD1-CD1 3.64Å; L30-I112 HydrophobicContact CD1-CG1 4.36Å; L30-I112 HydrophobicContact CD2-CD1 3.5Å; L30-I112 HydrophobicContact CG-CD1 4.25Å; V57-I112 HydrophobicContact CG1-CG2 3.92Å; T61-I112 HydrophobicContact CG2-CG2 3.61Å; V63-I112 HydrophobicContact CG1-CG1 4.03Å; V63-I112 HydrophobicContact CG2-CG1 4.05Å; V63-I112 HydrophobicContact CG2-CG2 4.27Å; M84-I112 HydrophobicContact CE-CD1 3.71Å; M84-I112 HydrophobicContact CE-CG1 4.42Å; M84-I112 HydrophobicContact CE-CG2 4.35Å; I112-T114 HydrophobicContact CG2-CG2 4.01Å; I112-T114 PolarHBondContact O-N 2.76Å; I112-P117 WeakPolarHBondContact O-CA 3.47Å; I112-I118 HydrophobicContact CB-CB 4.31Å; I112-I118 PolarHBondContact N-O 3.13Å; I112-I118 PolarHBondContact O-N 2.94Å
113	E	97	Very high	97.1	Very high	73 Å²	73	47.1 Å²	47.1	34%	0.341	29%	0.29	S	S	.	.			trans	-85.6	51.1	-172.2	-62.6	174.8	-159	0	0	112	R62 T64	R62-E113 HydrophobicContact CB-CB 4.19Å; R62-E113 HydrophobicContact CB-CG 4.21Å; R62-E113 WeakPolarHBondContact CB-OE2 3.31Å; R62-E113 WeakPolarHBondContact CD-OE2 3.37Å; R62-E113 IonicContact CZ-OE1 3.66Å; R62-E113 IonicContact CZ-OE2 3.31Å; R62-E113 VanDerWaalsContact CZ-OE2 3.3Å; R62-E113 IonicContact NE-OE1 3.18Å; R62-E113 IonicContact NE-OE2 3.59Å; R62-E113 IonicContact NH1-OE1 2.72Å; R62-E113 PolarHBondContact NH1-OE1 3.02Å; R62-E113 IonicContact NH1-OE2 2.99Å; R62-E113 PolarHBondContact NH1-OE2 2.9Å; R62-E113 IonicContact NH2-OE1 2.86Å; R62-E113 PolarHBondContact NH2-OE1 3.41Å; R62-E113 PolarHBondContact O-N 2.64Å; T64-E113 PolarHBondContact OG1-OE1 3.08Å
114	T	96.2	Very high	97.3	Very high	24 Å²	24	52.9 Å²	52.9	15%	0.147	29%	0.293	C	S	.	.			trans	-75.5	173	165.3	44.8	0	0	0	0	111.4	V57 T61 I112 P116 P117 I118	V57-T114 HydrophobicContact CG1-CG2 3.93Å; V57-T114 HydrophobicContact CG2-CG2 4.36Å; T61-T114 HydrophobicContact CG2-CG2 4.11Å; I112-T114 HydrophobicContact CG2-CG2 4.01Å; I112-T114 PolarHBondContact O-N 2.76Å; T114-P116 VanDerWaalsContact C-C 3.43Å; T114-P116 CarbonylContact C-O 3.53Å; T114-P116 VanDerWaalsContact C-O 3.27Å; T114-P116 WeakPolarHBondContact CB-O 3.3Å; T114-P116 CarbonylContact O-C 3.57Å; T114-P116 PolarHBondContact OG1-O 3.38Å; T114-P117 VanDerWaalsContact O-CA 3.25Å; T114-P117 WeakPolarHBondContact O-CA 3.35Å; T114-P117 WeakPolarHBondContact O-CD 3.2Å; T114-I118 HydrophobicContact CG2-CD1 4.32Å; T114-I118 WeakPolarHBondContact OG1-CG1 3.36Å; T114-I118 PolarHBondContact OG1-N 3.42Å
115	T	94.7	Very high	97.3	Very high	148 Å²	148	49.5 Å²	49.5	91%	0.908	28%	0.278	S	S	*	.	S	Bend	trans	-115.2	106.7	169.3	-56.4	0	0	0	0	109.2
116	P	95	Very high	97.3	Very high	105 Å²	105	47.9 Å²	47.9	68%	0.682	27%	0.267	S	S	*	.	S	Bend	cis	-71.5	160.1	-4.8	32.2	-36.6	0	0	0	113.1	T114	T114-P116 VanDerWaalsContact C-C 3.43Å; T114-P116 CarbonylContact C-O 3.53Å; T114-P116 VanDerWaalsContact C-O 3.27Å; T114-P116 WeakPolarHBondContact CB-O 3.3Å; T114-P116 CarbonylContact O-C 3.57Å; T114-P116 PolarHBondContact OG1-O 3.38Å
117	P	96.4	Very high	97.2	Very high	88 Å²	88	50.8 Å²	50.8	57%	0.571	28%	0.279	S	S	*	.	P	Polyproline II helix	trans	-66.3	134.6	179.5	-23	34.5	0	0	0	112.5	I112 T114	I112-P117 WeakPolarHBondContact O-CA 3.47Å; T114-P117 VanDerWaalsContact O-CA 3.25Å; T114-P117 WeakPolarHBondContact O-CA 3.35Å; T114-P117 WeakPolarHBondContact O-CD 3.2Å
118	I	96.5	Very high	97.2	Very high	39 Å²	39	48.4 Å²	48.4	20%	0.2	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	127.7	176.7	-62.1	163.5	0	0	0	108.9	N27 L30 I112 T114	N27-I118 VanDerWaalsContact ND2-CG2 3.34Å; N27-I118 WeakPolarHBondContact ND2-CG2 3.24Å; L30-I118 HydrophobicContact CD1-CG2 3.68Å; L30-I118 HydrophobicContact CG-CG2 4.46Å; I112-I118 HydrophobicContact CB-CB 4.31Å; I112-I118 PolarHBondContact N-O 3.13Å; I112-I118 PolarHBondContact O-N 2.94Å; T114-I118 HydrophobicContact CG2-CD1 4.32Å; T114-I118 WeakPolarHBondContact OG1-CG1 3.36Å; T114-I118 PolarHBondContact OG1-N 3.42Å
119	V	97.5	Very high	97.2	Very high	77 Å²	77	49.9 Å²	49.9	47%	0.467	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	144	178.8	-176.6	0	0	0	0	110.5	N27 T109 I110 T111	N27-V119 PolarHBondContact ND2-O 2.83Å; T109-V119 HydrophobicContact CG2-CG1 3.61Å; I110-V119 CarbonylContact O-C 3.57Å; I110-V119 WeakPolarHBondContact O-CA 3.37Å; T111-V119 HydrophobicContact CG2-CG2 4.36Å
120	A	97.7	Very high	97.1	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	142.3	175.3	0	0	0	0	0	111.7	T25 N27 L30 T109 I110	T25-A120 HydrophobicContact CG2-CB 4.24Å; T25-A120 WeakPolarHBondContact OG1-CB 3.04Å; N27-A120 HydrophobicContact CB-CB 3.85Å; L30-A120 HydrophobicContact CB-CB 4.17Å; L30-A120 HydrophobicContact CD1-CB 3.7Å; T109-A120 WeakPolarHBondContact CA-O 3.49Å; I110-A120 HydrophobicContact CB-CB 4.3Å; I110-A120 PolarHBondContact N-O 2.89Å; I110-A120 PolarHBondContact O-N 3.41Å
121	L	98	Very high	97	Very high	63 Å²	63	53.9 Å²	53.9	33%	0.33	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	124.3	177.9	-169.9	72.8	0	0	0	110.4	S26 N107 I108 A123	S26-L121 PolarHBondContact N-O 3.47Å; S26-L121 WeakPolarHBondContact OG-CB 3.41Å; S26-L121 PolarHBondContact OG-N 3.26Å; N107-L121 HydrophobicContact CB-CD1 4.05Å; I108-L121 WeakPolarHBondContact O-CA 3.42Å; L121-A123 HydrophobicContact CD2-CB 4.35Å
122	Y	97.6	Very high	96.9	Very high	24 Å²	24	52.1 Å²	52.1	9%	0.094	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	90.9	165.7	-174.7	-151.1	0	0	0	108.5	A23 L35 I108 A125	A23-Y122 HydrophobicContact CB-CE2 3.99Å; L35-Y122 HydrophobicContact CB-CE1 4.18Å; L35-Y122 HydrophobicContact CD1-CD1 4.41Å; L35-Y122 HydrophobicContact CD1-CE1 4.17Å; L35-Y122 HydrophobicContact CG-CE1 4.15Å; L35-Y122 PolarHBondContact N-OH 3.03Å; I108-Y122 PolarHBondContact N-O 3.36Å; I108-Y122 PolarHBondContact O-N 2.77Å; Y122-A125 HydrophobicContact CD1-CB 3.36Å; Y122-A125 HydrophobicContact CD2-CB 4.43Å; Y122-A125 HydrophobicContact CE1-CB 3.56Å; Y122-A125 HydrophobicContact CG-CB 3.83Å
123	A	97	Very high	96.7	Very high	47 Å²	47	56 Å²	56	39%	0.388	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	139.1	-172	0	0	0	0	0	112.8	N107 L121 A125	N107-A123 WeakPolarHBondContact OD1-CA 3.26Å; L121-A123 HydrophobicContact CD2-CB 4.35Å; A123-A125 PolarHBondContact O-N 2.77Å
124	R	96.8	Very high	96.6	Very high	185 Å²	185	59.9 Å²	59.9	70%	0.698	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	48.7	39.4	-179.6	-56.8	-177.6	-65.4	-89.2	-0.6	113.1	F106 N107	F106-R124 CarbonylContact O-C 3.59Å; N107-R124 PolarHBondContact OD1-N 3.47Å
125	A	97.1	Very high	96.3	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	-50.8	-172.6	0	0	0	0	0	113	L35 F106 I108 Y122 A123	L35-A125 HydrophobicContact CD1-CB 4.37Å; F106-A125 PolarHBondContact O-N 3.32Å; I108-A125 HydrophobicContact CD1-CB 3.71Å; I108-A125 HydrophobicContact CG1-CB 4.09Å; Y122-A125 HydrophobicContact CD1-CB 3.36Å; Y122-A125 HydrophobicContact CD2-CB 4.43Å; Y122-A125 HydrophobicContact CE1-CB 3.56Å; Y122-A125 HydrophobicContact CG-CB 3.83Å; A123-A125 PolarHBondContact O-N 2.77Å
126	I	98	Very high	96.1	Very high	0 Å²	0	63 Å²	63	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	128.6	-164.8	-175.5	158.4	0	0	0	112.8	L35 P36 W39 L45 F96 S105 F106 I108 V128	L35-I126 HydrophobicContact CB-CB 4.48Å; L35-I126 HydrophobicContact CB-CD1 4.44Å; L35-I126 HydrophobicContact CD1-CG2 4.38Å; P36-I126 WeakPolarHBondContact O-CG1 3.37Å; W39-I126 HydrophobicContact CB-CD1 3.76Å; W39-I126 HydrophobicContact CB-CG1 4.26Å; L45-I126 HydrophobicContact CD2-CD1 4.25Å; F96-I126 HydrophobicContact CD1-CG2 4.25Å; F96-I126 HydrophobicContact CD2-CD1 4Å; F96-I126 HydrophobicContact CE1-CG2 3.76Å; F96-I126 HydrophobicContact CE2-CD1 3.82Å; F96-I126 HydrophobicContact CE2-CG2 4.37Å; F96-I126 HydrophobicContact CZ-CD1 4.35Å; F96-I126 HydrophobicContact CZ-CG2 3.85Å; S105-I126 CarbonylContact C-O 3.57Å; S105-I126 WeakPolarHBondContact CA-O 3.45Å; F106-I126 HydrophobicContact CB-CG2 4.38Å; F106-I126 PolarHBondContact N-O 3.11Å; I108-I126 HydrophobicContact CD1-CG2 3.96Å; I126-V128 HydrophobicContact CD1-CG2 4.45Å; I126-V128 HydrophobicContact CG1-CG2 3.94Å; I126-V128 HydrophobicContact CG2-CG2 4.38Å
127	K	98.2	Very high	95.7	Very high	61 Å²	61	68.9 Å²	68.9	27%	0.265	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	131	165.6	173.2	173.5	66.3	-167.3	0	109.9	K37 H38 W39 S100 K104 T129	K37-K127 WeakPolarHBondContact O-CB 3.46Å; K37-K127 PolarHBondContact O-N 3.01Å; H38-K127 CarbonylContact C-O 3.05Å; H38-K127 VanDerWaalsContact CA-O 3.29Å; H38-K127 WeakPolarHBondContact CA-O 3.48Å; H38-K127 HydrophobicContact CB-CB 4.46Å; H38-K127 PolarHBondContact CD2-O 3.07Å; H38-K127 WeakPolarHBondContact ND1-CE 3.08Å; W39-K127 PolarHBondContact N-O 3.2Å; S100-K127 WeakPolarHBondContact OG-CA 3.46Å; K104-K127 WeakPolarHBondContact O-CG 3.44Å; K127-T129 HydrophobicContact CG-CG2 4.3Å
128	V	98.2	Very high	94.6	Very high	1 Å²	1	68.3 Å²	68.3	1%	0.006	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	121.8	-176.4	-173.6	0	0	0	0	110.6	F96 G98 R99 S100 F106 I126	F96-V128 HydrophobicContact CB-CB 4.4Å; F96-V128 HydrophobicContact CB-CG1 3.91Å; F96-V128 HydrophobicContact CB-CG2 3.7Å; F96-V128 HydrophobicContact CD1-CG2 4.19Å; F96-V128 HydrophobicContact CG-CG2 3.91Å; G98-V128 WeakPolarHBondContact O-CG1 3.34Å; R99-V128 WeakPolarHBondContact CA-O 3.45Å; S100-V128 PolarHBondContact N-O 3.19Å; S100-V128 PolarHBondContact OG-N 3.05Å; F106-V128 HydrophobicContact CD2-CB 4.41Å; F106-V128 HydrophobicContact CD2-CG2 3.78Å; F106-V128 HydrophobicContact CE2-CB 3.96Å; F106-V128 HydrophobicContact CE2-CG2 3.76Å; I126-V128 HydrophobicContact CD1-CG2 4.45Å; I126-V128 HydrophobicContact CG1-CG2 3.94Å; I126-V128 HydrophobicContact CG2-CG2 4.38Å
129	T	97.2	Very high	92.7	Very high	30 Å²	30	74.4 Å²	74.4	18%	0.184	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	164	176.9	75.2	0	0	0	0	112	H38 W39 R40 S41 K127 D131 G132	H38-T129 PolarHBondContact NE2-OG1 3.06Å; W39-T129 PolarHBondContact O-N 3.48Å; W39-T129 VanDerWaalsContact O-N 3.15Å; R40-T129 CarbonylContact C-O 3.59Å; R40-T129 WeakPolarHBondContact CA-O 3.28Å; S41-T129 PolarHBondContact N-O 3.5Å; S41-T129 PolarHBondContact OG-O 3.26Å; K127-T129 HydrophobicContact CG-CG2 4.3Å; T129-D131 PolarHBondContact O-N 3.17Å; T129-G132 PolarHBondContact O-N 2.9Å; T129-G132 PolarHBondContact OG1-N 2.82Å; T129-G132 VanDerWaalsContact OG1-N 3.08Å
130	V	96.7	Very high	90.8	Very high	65 Å²	65	80.7 Å²	80.7	39%	0.394	39%	0.393	S	S	.	.	S	Bend	trans	-54.7	-33.5	176.8	164.5	0	0	0	0	112.9	R40 S41	R40-V130 WeakPolarHBondContact CG-O 3.29Å; R40-V130 PolarHBondContact NE-O 2.9Å; R40-V130 PolarHBondContact NH1-O 3.3Å; R40-V130 PolarHBondContact NH2-O 2.93Å; S41-V130 WeakPolarHBondContact OG-CA 3.42Å
131	D	95.2	Very high	88.6	Confident	62 Å²	62	84.9 Å²	84.9	33%	0.332	42%	0.423	S	S	.	.	S	Bend	trans	-91.4	-37	179.4	-83.9	-22.8	0	0	0	113.7	R40 T129 R134	R40-D131 IonicContact NH1-OD1 3.55Å; T129-D131 PolarHBondContact O-N 3.17Å; D131-R134 HydrophobicContact CB-CB 4.35Å; D131-R134 VanDerWaalsContact CG-NH1 3.27Å; D131-R134 IonicContact OD1-NH1 3.47Å; D131-R134 PolarHBondContact OD1-NH1 2.88Å; D131-R134 WeakPolarHBondContact OD2-CD 3.37Å; D131-R134 IonicContact OD2-CZ 3.49Å; D131-R134 IonicContact OD2-NE 2.58Å; D131-R134 IonicContact OD2-NH1 2.7Å; D131-R134 PolarHBondContact OD2-NH1 3.02Å
132	G	95.3	Very high	86.3	Confident	3 Å²	3	87.8 Å²	87.8	3%	0.031	44%	0.443	C	S	.	.			trans	69.7	-157.9	-161.2	0	0	0	0	0	112.5	H38 W39 T129 R134	H38-G132 PolarHBondContact CE1-O 2.87Å; H38-G132 VanDerWaalsContact NE2-C 3.35Å; H38-G132 WeakPolarHBondContact NE2-CA 3.34Å; H38-G132 PolarHBondContact NE2-O 2.85Å; W39-G132 VanDerWaalsContact C-CA 3.44Å; W39-G132 WeakPolarHBondContact O-CA 3.46Å; T129-G132 PolarHBondContact O-N 2.9Å; T129-G132 PolarHBondContact OG1-N 2.82Å; T129-G132 VanDerWaalsContact OG1-N 3.08Å; G132-R134 PolarHBondContact O-N 2.79Å
133	P	95.1	Very high	83.9	Confident	81 Å²	81	91 Å²	91	53%	0.526	47%	0.465	S	S	.	.	S	Bend	trans	-57.9	125	167.4	-22.1	33.8	0	0	0	109.9	H38	H38-P133 HydrophobicContact CB-CG 4.24Å; H38-P133 VanDerWaalsContact O-CD 3.28Å; H38-P133 WeakPolarHBondContact O-CD 3.39Å; H38-P133 WeakPolarHBondContact O-CG 3.49Å
134	R	93.8	Very high	81.7	Confident	155 Å²	155	99.3 Å²	99.3	59%	0.585	49%	0.487	S	S	*	.			trans	-135.2	133.9	-175.4	-174.7	173.8	-178.2	159.5	10.3	110	D131 G132	D131-R134 HydrophobicContact CB-CB 4.35Å; D131-R134 VanDerWaalsContact CG-NH1 3.27Å; D131-R134 IonicContact OD1-NH1 3.47Å; D131-R134 PolarHBondContact OD1-NH1 2.88Å; D131-R134 WeakPolarHBondContact OD2-CD 3.37Å; D131-R134 IonicContact OD2-CZ 3.49Å; D131-R134 IonicContact OD2-NE 2.58Å; D131-R134 IonicContact OD2-NH1 2.7Å; D131-R134 PolarHBondContact OD2-NH1 3.02Å; G132-R134 PolarHBondContact O-N 2.79Å
135	V	90.8	Very high	79.5	Confident	123 Å²	123	94.5 Å²	94.5	75%	0.745	48%	0.478	S	S	*	.	P	Polyproline II helix	trans	-54.4	136.6	172.9	-176	0	0	0	0	109.4	R137	V135-R137 PolarHBondContact O-N 3.07Å
136	P	90.6	Very high	77.3	Confident	115 Å²	115	95.3 Å²	95.3	75%	0.747	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-50.9	129.6	177.3	-28.7	35.9	0	0	0	111.9	S138	P136-S138 PolarHBondContact O-N 3.34Å
137	R	85.9	Confident	74.9	Confident	228 Å²	228	104.8 Å²	104.8	86%	0.86	52%	0.522	S	S	*	.	P	Polyproline II helix	trans	-65.9	119	176.8	-167.9	171.9	-172.9	154.2	1.3	108.1	V135	V135-R137 PolarHBondContact O-N 3.07Å
138	S	74.3	Confident	72.7	Confident	76 Å²	76	105.9 Å²	105.9	53%	0.531	53%	0.53	S	S	.	.	P	Polyproline II helix	trans	-55.2	136.4	-166.9	48.4	0	0	0	0	113.3	P136 Y140	P136-S138 PolarHBondContact O-N 3.34Å; S138-Y140 PolarHBondContact O-N 3.39Å; S138-Y140 VanDerWaalsContact O-N 3.12Å
139	K	55.7	Low	70.4	Confident	166 Å²	166	113.1 Å²	113.1	72%	0.722	56%	0.558	S	S	*	*			trans	-66	108	165.2	-66.6	179.9	-178.5	176.9	0	107.3	S141	K139-S141 PolarHBondContact O-N 3.42Å
140	Y	58	Low	68.2	Low	209 Å²	209	118.4 Å²	118.4	82%	0.82	58%	0.579	S	S	*	*			trans	-76.2	54.7	164.7	-82.1	-78.7	0	0	0	111.2	S138	S138-Y140 PolarHBondContact O-N 3.39Å; S138-Y140 VanDerWaalsContact O-N 3.12Å
141	S	50.8	Low	66.1	Low	89 Å²	89	120.9 Å²	120.9	62%	0.622	59%	0.586	S	S	*	*			trans	-141	94.8	166	174.7	0	0	0	0	101.7	K139	K139-S141 PolarHBondContact O-N 3.42Å
142	T	49.7	Very low	64	Low	124 Å²	124	124.1 Å²	124.1	76%	0.761	60%	0.601	S	S	*	*	S	Bend		-140.4	80.2	59.4	-54.1	0	0	0	0	114.4
143	V	47.4	Very low	62.1	Low	92 Å²	92	132.5 Å²	132.5	56%	0.558	64%	0.636	S	S	*	*			trans	-145.2	61.4	159	-162.3	0	0	0	0	112
144	R	50.4	Low	60.2	Low	221 Å²	221	138 Å²	138	83%	0.834	65%	0.646	S	S	*	*	S	Bend	trans	-95.4	-14.2	161.1	-83.4	-164.5	176.2	-159.6	1.4	113.7	G146 R147	R144-G146 PolarHBondContact O-N 2.96Å; R144-R147 PolarHBondContact O-N 3.35Å
145	T	51.9	Low	58.4	Low	83 Å²	83	137.2 Å²	137.2	51%	0.509	65%	0.653	S	S	.	*	H	α-helix	trans	-50.9	-22.1	156.6	43.3	0	0	0	0	112.6	R147 I148 Y149	T145-R147 PolarHBondContact O-N 2.92Å; T145-I148 CarbonylContact O-C 3.51Å; T145-I148 WeakPolarHBondContact O-CB 3.25Å; T145-I148 PolarHBondContact O-N 2.74Å; T145-Y149 WeakPolarHBondContact O-CD1 3.22Å; T145-Y149 PolarHBondContact O-N 2.95Å
146	G	49.4	Very low	56.5	Low	17 Å²	17	134.2 Å²	134.2	18%	0.175	65%	0.647	C	S	.	*	H	α-helix	trans	-77.6	-4.4	178	0	0	0	0	0	118.2	R144 Y149	R144-G146 PolarHBondContact O-N 2.96Å; G146-Y149 WeakPolarHBondContact O-CE2 3.37Å
147	R	49.4	Very low	54.9	Low	199 Å²	199	133.9 Å²	133.9	75%	0.751	65%	0.648	S	S	*	*	H	α-helix	trans	-91.2	-40.5	157.7	-68.4	-167.3	179	-163.2	-1.2	110.7	R144 T145 Y149 K150 E151	R144-R147 PolarHBondContact O-N 3.35Å; T145-R147 PolarHBondContact O-N 2.92Å; R147-Y149 PolarHBondContact O-N 3.26Å; R147-K150 CarbonylContact O-C 3.59Å; R147-K150 WeakPolarHBondContact O-CA 3.48Å; R147-K150 PolarHBondContact O-N 2.72Å; R147-E151 PolarHBondContact O-N 3.06Å
148	I	51.8	Low	53.3	Low	85 Å²	85	134.1 Å²	134.1	44%	0.436	65%	0.649	S	S	.	*	H	α-helix	trans	-54.5	-47.7	175.5	-58.6	178.1	0	0	0	111.6	T145 K150 E151 M152	T145-I148 CarbonylContact O-C 3.51Å; T145-I148 WeakPolarHBondContact O-CB 3.25Å; T145-I148 PolarHBondContact O-N 2.74Å; I148-K150 PolarHBondContact O-N 3.39Å; I148-K150 VanDerWaalsContact O-N 3.11Å; I148-E151 PolarHBondContact O-N 2.97Å; I148-M152 HydrophobicContact CG2-CE 3.58Å; I148-M152 HydrophobicContact CG2-CG 4Å; I148-M152 HydrophobicContact CG2-SD 3.56Å; I148-M152 VanDerWaalsContact CG2-SD 3.56Å; I148-M152 WeakPolarHBondContact O-CB 3.3Å; I148-M152 WeakPolarHBondContact O-CG 3.43Å; I148-M152 PolarHBondContact O-N 2.99Å
149	Y	48.7	Very low	52	Low	153 Å²	153	139 Å²	139	60%	0.6	66%	0.663	S	S	*	*	H	α-helix	trans	-68	-10.4	176.7	63.8	-133.6	0	0	0	114.9	T145 G146 R147	T145-Y149 WeakPolarHBondContact O-CD1 3.22Å; T145-Y149 PolarHBondContact O-N 2.95Å; G146-Y149 WeakPolarHBondContact O-CE2 3.37Å; R147-Y149 PolarHBondContact O-N 3.26Å
150	K	51.9	Low	51.6	Low	141 Å²	141	139.7 Å²	139.7	61%	0.613	67%	0.669	S	S	*	*	H	α-helix	trans	-107.8	-11	177	-144.7	168.5	-172.3	174.2	0	113.4	R147 I148	R147-K150 CarbonylContact O-C 3.59Å; R147-K150 WeakPolarHBondContact O-CA 3.48Å; R147-K150 PolarHBondContact O-N 2.72Å; I148-K150 PolarHBondContact O-N 3.39Å; I148-K150 VanDerWaalsContact O-N 3.11Å
151	E	52.1	Low	50.8	Low	117 Å²	117	137.2 Å²	137.2	55%	0.547	67%	0.67	S	S	.	*	H	α-helix	trans	-95.3	-39.9	167.5	-77.2	171.5	113	0	0	111.6	R147 I148 K153 R154 L155	R147-E151 PolarHBondContact O-N 3.06Å; I148-E151 PolarHBondContact O-N 2.97Å; E151-K153 VanDerWaalsContact C-N 3.25Å; E151-K153 PolarHBondContact O-N 3.02Å; E151-R154 CarbonylContact O-C 3.51Å; E151-R154 WeakPolarHBondContact O-CA 3.31Å; E151-R154 WeakPolarHBondContact O-CB 3.4Å; E151-R154 PolarHBondContact O-N 3.36Å; E151-L155 PolarHBondContact O-N 2.95Å
152	M	52	Low	50.3	Low	130 Å²	130	140.7 Å²	140.7	64%	0.64	68%	0.68	S	S	*	*	H	α-helix	trans	-59.5	-37.5	170.6	-72.8	-179.7	166.1	0	0	111.4	I148 R154 L155 G156	I148-M152 HydrophobicContact CG2-CE 3.58Å; I148-M152 HydrophobicContact CG2-CG 4Å; I148-M152 HydrophobicContact CG2-SD 3.56Å; I148-M152 VanDerWaalsContact CG2-SD 3.56Å; I148-M152 WeakPolarHBondContact O-CB 3.3Å; I148-M152 WeakPolarHBondContact O-CG 3.43Å; I148-M152 PolarHBondContact O-N 2.99Å; M152-R154 PolarHBondContact O-N 3.13Å; M152-L155 PolarHBondContact O-N 3.4Å; M152-G156 PolarHBondContact O-N 3.36Å
153	K	54.5	Low	49.6	Very low	179 Å²	179	140.5 Å²	140.5	78%	0.778	68%	0.682	S	S	*	*	H	α-helix	trans	-74.8	4.5	171.9	-143.8	173	-172.7	176.7	0	114.5	E151	E151-K153 VanDerWaalsContact C-N 3.25Å; E151-K153 PolarHBondContact O-N 3.02Å
154	R	54.4	Low	49	Very low	195 Å²	195	143.9 Å²	143.9	74%	0.736	69%	0.692	S	S	*	*	H	α-helix	trans	-111.9	-21.3	166.6	-78.2	-171.7	161.9	107.6	-5.1	113.5	E151 M152	E151-R154 CarbonylContact O-C 3.51Å; E151-R154 WeakPolarHBondContact O-CA 3.31Å; E151-R154 WeakPolarHBondContact O-CB 3.4Å; E151-R154 PolarHBondContact O-N 3.36Å; M152-R154 PolarHBondContact O-N 3.13Å
155	L	56.4	Low	48.6	Very low	139 Å²	139	142 Å²	142	73%	0.728	69%	0.693	S	S	*	*	H	α-helix	trans	-89.5	-26.1	174.9	-64.5	174.9	0	0	0	112.8	E151 M152 S157	E151-L155 PolarHBondContact O-N 2.95Å; M152-L155 PolarHBondContact O-N 3.4Å; L155-S157 VanDerWaalsContact C-N 3.27Å; L155-S157 PolarHBondContact O-N 3.45Å
156	G	51.4	Low	48	Very low	61 Å²	61	142.2 Å²	142.2	63%	0.629	70%	0.698	S	S	*	*	G	3₁₀ helix	trans	-67.3	-15.8	-179.2	0	0	0	0	0	116.1	M152 R158	M152-G156 PolarHBondContact O-N 3.36Å; G156-R158 VanDerWaalsContact C-N 3.31Å; G156-R158 PolarHBondContact O-N 2.98Å
157	S	56.2	Low	47.6	Very low	108 Å²	108	147.1 Å²	147.1	76%	0.755	72%	0.724	S	S	*	*	G	3₁₀ helix	trans	-90.1	25.6	-173.4	-54.7	0	0	0	0	114.8	L155	L155-S157 VanDerWaalsContact C-N 3.27Å; L155-S157 PolarHBondContact O-N 3.45Å
158	R	52.5	Low	47.6	Very low	232 Å²	232	144.3 Å²	144.3	88%	0.875	72%	0.723	S	S	*	*	G	3₁₀ helix	trans	-127.8	5.6	178.8	-93.3	-172.3	173.2	-170.9	-2.9	115.9	G156	G156-R158 VanDerWaalsContact C-N 3.31Å; G156-R158 PolarHBondContact O-N 2.98Å
159	H	47.2	Very low	47.1	Very low	178 Å²	178	146.2 Å²	146.2	82%	0.824	73%	0.734	S	S	*	*	S	Bend	trans	-129.6	47.1	-177.3	-89.7	-78.2	0	0	0	114.2
160	Q	47.8	Very low	46.7	Very low	182 Å²	182	148.8 Å²	148.8	85%	0.85	74%	0.742	S	S	*	*			trans	-141.6	92.3	162	-72.8	-169.1	-19.2	0	0	110
161	N	42	Very low	46	Very low	157 Å²	157	147.2 Å²	147.2	84%	0.84	75%	0.749	S	S	*	*	S	Bend	trans	-171.9	145.1	156.9	-97.7	-32.4	0	0	0	108.6
162	L	39.1	Very low	45.3	Very low	162 Å²	162	151.6 Å²	151.6	85%	0.848	77%	0.767	S	S	*	*			trans	59.2	74.3	-179	-76.1	71.6	0	0	0	115.5
163	C	34.4	Very low	45	Very low	119 Å²	119	151.6 Å²	151.6	80%	0.804	78%	0.776	S	S	*	*				-79.9	165.7	124	-68.2	0	0	0	0	108.3
164	E	36.5	Very low	44	Very low	163 Å²	163	148.5 Å²	148.5	76%	0.762	78%	0.777	S	S	*	*			trans	61.3	100.4	173.7	-59.1	166	-175.4	0	0	113.3
165	H	41.8	Very low	43.2	Very low	182 Å²	182	150.8 Å²	150.8	84%	0.843	79%	0.786	S	S	*	*				-159.1	166	66.4	-93	-75	0	0	0	114.9
166	S	39.6	Very low	42.3	Very low	88 Å²	88	150.8 Å²	150.8	62%	0.615	79%	0.787	S	S	*	*			trans	-71.8	143.7	-175.8	47.5	0	0	0	0	116
167	T	40.9	Very low	41.8	Very low	120 Å²	120	156 Å²	156	74%	0.736	80%	0.8	S	S	*	*			trans	74.2	149.5	137.6	55	0	0	0	0	122.3
168	I	47.7	Very low	40.7	Very low	140 Å²	140	160.7 Å²	160.7	72%	0.718	80%	0.803	S	S	*	*			trans	80.9	93.4	152.1	-68.8	151.9	0	0	0	118.5
169	N	41.2	Very low	40.2	Very low	125 Å²	125	155.5 Å²	155.5	67%	0.668	80%	0.799	S	S	*	*				68.9	137.5	129.4	-69.4	-30	0	0	0	123.9
170	R	41.6	Very low	39.8	Very low	206 Å²	206	153.3 Å²	153.3	78%	0.777	79%	0.792	S	S	*	*			trans	83.1	103.1	148	-78.6	179.1	-79.6	-112.3	6	120.4
171	S	36.5	Very low	40	Very low	108 Å²	108	150.5 Å²	150.5	76%	0.755	79%	0.79	S	S	*	*				73.9	122.7	121.2	-53.2	0	0	0	0	120.7
172	F	37	Very low	39.9	Very low	210 Å²	210	151.6 Å²	151.6	92%	0.921	79%	0.79	S	S	*	*			trans	-60.9	153.8	162.8	-57.3	-87.5	0	0	0	112.7
173	P	45.8	Very low	40	Very low	129 Å²	129	150 Å²	150	84%	0.838	78%	0.782	S	S	*	*			trans	-124.3	150	133.7	36.1	-29.4	0	0	0	112.4
174	S	34.1	Very low	40.4	Very low	115 Å²	115	151.7 Å²	151.7	80%	0.804	78%	0.782	S	S	*	*			trans	-105.7	131.1	169.2	171.8	0	0	0	0	110
175	R	38.1	Very low	40.7	Very low	243 Å²	243	151.6 Å²	151.6	92%	0.917	78%	0.782	S	S	*	*			trans	-162.3	149	147.5	-129.5	175.4	-178.9	177.4	-0.5	113.4
176	N	37.4	Very low	40.5	Very low	138 Å²	138	152.6 Å²	152.6	74%	0.738	78%	0.778	S	S	*	*			trans	-69.4	154.1	170.9	-52.9	-25.2	0	0	0	111.1
177	N	40.3	Very low	40.5	Very low	172 Å²	172	154 Å²	154	92%	0.92	78%	0.779	S	S	*	*			trans	-162.4	147.9	136.3	-96.5	-20.9	0	0	0	111.7
178	Y	32.8	Very low	40.5	Very low	206 Å²	206	157 Å²	157	81%	0.808	78%	0.782	S	S	*	*			trans	-87	169.7	176.2	-91.8	-81.6	0	0	0	110.1
179	P	42.1	Very low	40.1	Very low	122 Å²	122	158 Å²	158	79%	0.792	79%	0.785	S	S	*	*			cis	-148.2	-177.9	48.5	41.5	-19.3	0	0	0	118.9
180	I	38.8	Very low	40.2	Very low	132 Å²	132	160 Å²	160	68%	0.677	79%	0.788	S	S	*	*			trans	-112.3	141.5	172.9	-61.7	167.7	0	0	0	108.3
181	P	51.9	Low	40.1	Very low	124 Å²	124	161.5 Å²	161.5	81%	0.805	79%	0.794	S	S	*	*			trans	-87.8	143.5	165.8	-6.6	25.8	0	0	0	112.6
182	E	39.8	Very low	40.2	Very low	180 Å²	180	160.1 Å²	160.1	84%	0.841	79%	0.788	S	S	*	*			trans	-108	170.1	-177.7	-65.2	-175.3	116.1	0	0	114.1
183	D	41.1	Very low	40.3	Very low	129 Å²	129	155.8 Å²	155.8	69%	0.69	78%	0.78	S	S	*	*			trans	61.6	123.5	152.9	-97.6	-13.7	0	0	0	122.4
184	L	44.4	Very low	40	Very low	153 Å²	153	156.9 Å²	156.9	80%	0.801	77%	0.773	S	S	*	*				-158.2	123.4	111.1	-133.3	68.8	0	0	0	113.6
185	Q	42.4	Very low	40.1	Very low	161 Å²	161	158.6 Å²	158.6	75%	0.752	77%	0.769	S	S	*	*			trans	24.6	125.1	153.5	-53.8	-178.4	30	0	0	120.2
186	R	36.7	Very low	40.4	Very low	203 Å²	203	153.2 Å²	153.2	77%	0.766	76%	0.756	S	S	*	*			cis	75.6	102.3	32.1	-159.2	-159.5	-57.2	-150.2	6.9	115.4
187	N	39.6	Very low	40.2	Very low	118 Å²	118	153.5 Å²	153.5	63%	0.631	76%	0.758	S	S	*	*				164.7	127.6	124.9	-90.4	-60.6	0	0	0	118.7
188	K	40.6	Very low	39.8	Very low	184 Å²	184	149.1 Å²	149.1	80%	0.8	74%	0.741	S	S	*	*			trans	81.2	146.9	132.8	-68.1	169.1	-177.8	172.6	0	124.7
189	M	39.5	Very low	39.9	Very low	159 Å²	159	147.9 Å²	147.9	78%	0.783	74%	0.742	S	S	*	*			trans	80	135.5	176.5	-58.5	-144.2	-62.8	0	0	116.9
190	K	44.1	Very low	39.5	Very low	169 Å²	169	145.1 Å²	145.1	74%	0.735	74%	0.735	S	S	*	*			cis	-155.7	151	-2.2	-119.2	167	179.6	166.4	0	111.6
191	R	39.3	Very low	39.3	Very low	237 Å²	237	148.4 Å²	148.4	89%	0.894	75%	0.745	S	S	*	*			trans	-4.4	156.4	159.8	-65.3	178.4	-174.7	165.5	0.1	121.4
192	A	38.8	Very low	38.2	Very low	78 Å²	78	147.2 Å²	147.2	65%	0.645	74%	0.74	S	S	*	*			cis	-175	156.4	-15.2	0	0	0	0	0	113.7
193	T	38.3	Very low	38.1	Very low	120 Å²	120	144.9 Å²	144.9	74%	0.736	73%	0.733	S	S	*	*			trans	41.5	113.8	146.2	54.4	0	0	0	0	123.2
194	H	40.6	Very low	38	Very low	151 Å²	151	146.6 Å²	146.6	70%	0.699	74%	0.735	S	S	*	*				-178.6	126.3	101.9	-94.7	-78.5	0	0	0	107.3
195	E	36.6	Very low	37.6	Very low	152 Å²	152	149.6 Å²	149.6	71%	0.71	74%	0.742	S	S	*	*				66.8	137.8	86.9	-70.3	-178.4	177.5	0	0	114.2
196	I	43.6	Very low	37.3	Very low	129 Å²	129	151.3 Å²	151.3	66%	0.662	75%	0.746	S	S	*	*			cis	-155.8	148.3	14.9	-125.9	158.8	0	0	0	111.3
197	N	33.2	Very low	37.3	Very low	144 Å²	144	150 Å²	150	77%	0.77	75%	0.746	S	S	*	*			trans	50.9	169.2	157.5	-68.3	-8.7	0	0	0	122.9
198	S	32.2	Very low	37.1	Very low	80 Å²	80	151.3 Å²	151.3	56%	0.559	75%	0.748	S	S	*	*			cis	-172.1	160	-48.5	60.6	0	0	0	0	109.2
199	H	35.4	Very low	36.5	Very low	181 Å²	181	148.3 Å²	148.3	84%	0.838	75%	0.751	S	S	*	*			trans	61.3	136.9	-178.7	-57.3	-87.1	0	0	0	116.3
200	G	33	Very low	36.4	Very low	63 Å²	63	148.3 Å²	148.3	65%	0.649	75%	0.752	S	S	*	*			cis	104.8	97.5	-11.1	0	0	0	0	0	115.1
201	F	33.6	Very low	35.8	Very low	201 Å²	201	147.8 Å²	147.8	88%	0.882	76%	0.757	S	S	*	*			trans	-154.4	132.4	142.3	-124.2	-80.5	0	0	0	110.3
202	S	28.7	Very low	35.5	Very low	99 Å²	99	142.5 Å²	142.5	69%	0.692	76%	0.756	S	S	*	*			trans	-121.3	132.1	170.2	62.6	0	0	0	0	108.2
203	D	39.3	Very low	35.2	Very low	132 Å²	132	144.2 Å²	144.2	71%	0.706	76%	0.759	S	S	*	*			trans	-148.5	164.3	157.4	-130.9	-29.2	0	0	0	115.1
204	K	38.8	Very low	35.1	Very low	165 Å²	165	148.8 Å²	148.8	72%	0.717	76%	0.762	S	S	*	*			trans	-108.7	129.6	-160.5	-45	116.7	-172.1	154.6	0	111.9
205	F	35.6	Very low	34.8	Very low	216 Å²	216	150.5 Å²	150.5	95%	0.947	77%	0.768	S	S	*	*			trans	-123.9	89.1	155.9	-89.4	-78	0	0	0	112.6
206	K	35.5	Very low	34.9	Very low	196 Å²	196	148.4 Å²	148.4	85%	0.852	77%	0.77	S	S	*	*			trans	-94.7	114.3	162.9	168.1	-170	-178.9	-179	0	107.3
207	K	37.8	Very low	35.1	Very low	176 Å²	176	148 Å²	148	77%	0.765	78%	0.776	S	S	*	*			trans	-168.2	143.9	156.2	-110.4	176.1	177.7	-177.7	0	115.4
208	H	35.4	Very low	35.3	Very low	145 Å²	145	147.1 Å²	147.1	67%	0.671	78%	0.778	S	S	*	*			trans	49.4	96.6	157.4	-54.8	-53.6	0	0	0	121
209	S	28.1	Very low	35.6	Very low	122 Å²	122	150.5 Å²	150.5	85%	0.853	79%	0.787	S	S	*	*			trans	-63.3	133.5	140.5	53.2	0	0	0	0	110.8
210	I	37.6	Very low	35.5	Very low	158 Å²	158	150 Å²	150	81%	0.81	79%	0.79	S	S	*	*			trans	-125.8	140.2	164.9	-64.4	-178.5	0	0	0	108.5
211	L	30.5	Very low	35.7	Very low	158 Å²	158	154 Å²	154	83%	0.827	79%	0.794	S	S	*	*			trans	-82.5	136.1	-177.6	-69.2	155.2	0	0	0	111
212	S	33.9	Very low	35.7	Very low	127 Å²	127	156 Å²	156	89%	0.888	80%	0.796	S	S	*	*			trans	-153.2	119.7	146.9	-88.2	0	0	0	0	111.2
213	T	32.3	Very low	36.1	Very low	113 Å²	113	159.1 Å²	159.1	69%	0.693	80%	0.8	S	S	*	*			trans	-105.1	169	177.9	50.9	0	0	0	0	111
214	R	35.7	Very low	35.7	Very low	216 Å²	216	161.8 Å²	161.8	82%	0.815	81%	0.808	S	S	*	*			trans	91	139	-176.4	-54.8	171.3	-81.7	-159.1	-2.5	111.7
215	F	34.4	Very low	35.5	Very low	188 Å²	188	161.5 Å²	161.5	83%	0.825	81%	0.813	S	S	*	*			cis	-120.1	156.1	7.2	-83.3	-94.1	0	0	0	114
216	S	37.7	Very low	35.4	Very low	108 Å²	108	154.7 Å²	154.7	76%	0.755	80%	0.797	S	S	*	*			trans	-145.5	134.8	152.9	-71.4	0	0	0	0	106.7
217	P	47.6	Very low	35.4	Very low	121 Å²	121	151.8 Å²	151.8	79%	0.786	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-68.5	145.1	-173.4	27.3	-34.3	0	0	0	111.4
218	P	38.5	Very low	35.1	Very low	124 Å²	124	149.8 Å²	149.8	81%	0.805	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-70.7	146	-178.5	29.8	-34.9	0	0	0	111.5
219	M	37.9	Very low	35	Very low	151 Å²	151	149.2 Å²	149.2	74%	0.744	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-82.2	120.9	159	-71.4	-171.5	65.9	0	0	108.1	I221	M219-I221 PolarHBondContact O-N 3.48Å
220	L	33.5	Very low	35.3	Very low	172 Å²	172	148 Å²	148	90%	0.901	79%	0.793	S	S	*	*			trans	-71.5	110.2	162.2	-79.4	174	0	0	0	108.6
221	I	36.5	Very low	35.2	Very low	145 Å²	145	150 Å²	150	74%	0.744	80%	0.799	S	S	*	*			trans	-74.7	124.9	155.6	-64.2	168.6	0	0	0	105.4	M219 E223	M219-I221 PolarHBondContact O-N 3.48Å; I221-E223 HydrophobicContact CG2-CG 4.4Å
222	R	34.4	Very low	35.2	Very low	244 Å²	244	148.1 Å²	148.1	92%	0.921	79%	0.794	S	S	*	*			trans	-96	115.2	164.7	-173.9	172.9	-174.4	159	2.4	106.6
223	E	37.1	Very low	35.3	Very low	164 Å²	164	148.7 Å²	148.7	77%	0.766	79%	0.792	S	S	*	*			trans	-68.8	150.7	-180	-70.9	177.1	124.9	0	0	111.6	I221	I221-E223 HydrophobicContact CG2-CG 4.4Å
224	E	30.3	Very low	35	Very low	188 Å²	188	149.9 Å²	149.9	88%	0.879	79%	0.794	S	S	*	*			trans	-87.1	113.1	176	-176.6	179.3	153.4	0	0	108.4
225	L	34.5	Very low	35	Very low	159 Å²	159	147.2 Å²	147.2	83%	0.832	79%	0.794	S	S	*	*			trans	-124	107.9	171.8	-70	178	0	0	0	108.7
226	A	34.4	Very low	34.9	Very low	74 Å²	74	143.4 Å²	143.4	61%	0.612	79%	0.786	S	S	*	*			trans	-86	137	174.2	0	0	0	0	0	110.6
227	P	36.1	Very low	34.8	Very low	134 Å²	134	145.2 Å²	145.2	87%	0.87	79%	0.788	S	S	*	*			trans	-76.7	122.9	164.1	31.2	-30.4	0	0	0	109.4
228	I	31.8	Very low	34.1	Very low	135 Å²	135	146.5 Å²	146.5	69%	0.692	79%	0.788	S	S	*	*			trans	-120	134.4	175.3	-64.2	175.7	0	0	0	107.6
229	T	32.6	Very low	34.3	Very low	133 Å²	133	146.2 Å²	146.2	82%	0.816	79%	0.786	S	S	*	*			trans	60.6	149.5	174.4	47	0	0	0	0	116.3
230	S	33.5	Very low	34.2	Very low	96 Å²	96	144.3 Å²	144.3	67%	0.671	78%	0.783	S	S	*	*			cis	-171.7	141.9	-17.9	45.8	0	0	0	0	108.7
231	E	35.3	Very low	34.2	Very low	200 Å²	200	145.3 Å²	145.3	94%	0.935	78%	0.78	S	S	*	*			trans	-158.9	152.3	139.8	-119.9	160.3	-139.9	0	0	112.5
232	T	31.9	Very low	34.1	Very low	118 Å²	118	144 Å²	144	72%	0.724	78%	0.784	S	S	*	*			trans	-101.2	135.1	-165.6	-60.1	0	0	0	0	111
233	V	34.8	Very low	34.1	Very low	140 Å²	140	139.8 Å²	139.8	85%	0.848	78%	0.779	S	S	*	*			trans	-154.8	136.7	135.8	145.6	0	0	0	0	107.9
234	N	27.3	Very low	33.7	Very low	137 Å²	137	141.5 Å²	141.5	73%	0.733	78%	0.784	S	S	*	*			trans	-87	148.3	175.9	-47.5	-69.5	0	0	0	110.4
235	I	35.5	Very low	34	Very low	161 Å²	161	140 Å²	140	83%	0.826	78%	0.78	S	S	*	*				-149.3	126.9	119.9	-68.2	-155.7	0	0	0	109.6
236	T	32.3	Very low	33.9	Very low	107 Å²	107	137.8 Å²	137.8	66%	0.656	78%	0.776	S	S	*	*			trans	-27.6	149.3	159.1	7.9	0	0	0	0	116.8
237	N	35.6	Very low	33.9	Very low	147 Å²	147	145.5 Å²	145.5	79%	0.786	79%	0.789	S	S	*	*				-153	147.4	55.8	-82.1	-57.1	0	0	0	114.4
238	N	32.9	Very low	33.8	Very low	148 Å²	148	143.5 Å²	143.5	79%	0.791	78%	0.778	S	S	*	*			trans	-91.7	173.9	155.1	-70.5	-86.9	0	0	0	109.1
239	P	41.3	Very low	33.7	Very low	118 Å²	118	143 Å²	143	77%	0.766	78%	0.782	S	S	*	*				-143.9	131	92.5	34.1	-17.1	0	0	0	116.3
240	T	35.8	Very low	33.8	Very low	111 Å²	111	145.9 Å²	145.9	68%	0.681	79%	0.786	S	S	*	*			trans	45.3	117.8	142.8	51.7	0	0	0	0	121
241	K	35.3	Very low	33.8	Very low	192 Å²	192	149.7 Å²	149.7	84%	0.835	79%	0.79	S	S	*	*				66.5	112.6	69.6	-67.5	179.7	-173.6	174.8	0	115.7
242	S	33.3	Very low	33.8	Very low	119 Å²	119	145.7 Å²	145.7	83%	0.832	78%	0.78	S	S	*	*				-163.1	125.1	115.9	48.3	0	0	0	0	109.1
243	L	35.6	Very low	33.9	Very low	155 Å²	155	146.1 Å²	146.1	81%	0.812	78%	0.778	S	S	*	*				89	126.6	53.1	-133.8	81.4	0	0	0	113.9
244	K	28.4	Very low	33.9	Very low	200 Å²	200	145.6 Å²	145.6	87%	0.87	77%	0.77	S	S	*	*			trans	-70.1	141.2	168.5	-67.9	176.4	175.9	177.4	0	110.3
245	I	35.8	Very low	34.2	Very low	155 Å²	155	150.2 Å²	150.2	80%	0.795	78%	0.777	S	S	*	*			trans	-137.8	128.8	157	-56.4	-178.6	0	0	0	108.5
246	P	32.7	Very low	34.1	Very low	114 Å²	114	148.5 Å²	148.5	74%	0.74	78%	0.779	S	S	*	*			trans	-102.1	141.9	173.4	36.3	-30.1	0	0	0	112.5
247	R	34.4	Very low	34.1	Very low	235 Å²	235	148.6 Å²	148.6	89%	0.887	79%	0.785	S	S	*	*			trans	-166.7	117.8	160	-107.5	174.3	177	163.9	-1.3	107.2
248	S	33.6	Very low	34.4	Very low	92 Å²	92	146.8 Å²	146.8	64%	0.643	78%	0.781	S	S	*	*				90.2	105.2	77.1	73.5	0	0	0	0	113.1
249	T	29.7	Very low	34.5	Very low	126 Å²	126	144.8 Å²	144.8	77%	0.773	77%	0.774	S	S	*	*			trans	29.2	140.1	139.5	54.6	0	0	0	0	121.6
250	Q	35.9	Very low	34.3	Very low	192 Å²	192	147.3 Å²	147.3	90%	0.897	78%	0.776	S	S	*	*			trans	84.8	148.9	168.7	-54.1	178.3	-18.6	0	0	115.9
251	K	32.5	Very low	34.4	Very low	177 Å²	177	147.5 Å²	147.5	77%	0.77	78%	0.782	S	S	*	*			cis	-178.6	150.3	-37.4	-165.3	-177.9	175.1	-176.4	0	104.2
252	T	34.8	Very low	34.5	Very low	116 Å²	116	142.8 Å²	142.8	71%	0.712	77%	0.773	S	S	*	*			trans	68.5	154.6	173.2	77.9	0	0	0	0	115.8
253	N	33.8	Very low	34.9	Very low	127 Å²	127	143.5 Å²	143.5	68%	0.679	77%	0.766	S	S	*	*			cis	-158.9	170.5	-34.4	-116.6	41.5	0	0	0	108.2
254	D	35.1	Very low	34.8	Very low	128 Å²	128	145.1 Å²	145.1	68%	0.684	77%	0.766	S	S	*	*			trans	43.4	112.8	148.5	-56.7	-38	0	0	0	120.4
255	R	34.1	Very low	35.1	Very low	234 Å²	234	141.2 Å²	141.2	88%	0.883	76%	0.764	S	S	*	*				88.5	87.8	63.7	-176.1	-159.9	-174.9	-179.9	3.6	113.9
256	S	34.3	Very low	35	Very low	125 Å²	125	144.2 Å²	144.2	87%	0.874	77%	0.772	S	S	*	*			trans	-165.5	135.2	144.3	56.6	0	0	0	0	112.6
257	S	31.5	Very low	35	Very low	110 Å²	110	144.1 Å²	144.1	77%	0.769	77%	0.774	S	S	*	*			trans	-116.8	-171.8	165.8	61.3	0	0	0	0	108.1
258	P	41.3	Very low	35	Very low	109 Å²	109	138.4 Å²	138.4	71%	0.708	77%	0.77	S	S	*	*			cis	-129	-158.7	-26.9	26.7	-4.6	0	0	0	112
259	T	36.3	Very low	35	Very low	106 Å²	106	141.1 Å²	141.1	65%	0.65	78%	0.776	S	S	*	*			trans	117.8	126.8	131.2	-14.1	0	0	0	0	119.9
260	E	36.4	Very low	35.3	Very low	171 Å²	171	140.5 Å²	140.5	80%	0.799	78%	0.776	S	S	*	*			trans	77.4	123.7	141.2	-100.8	159.9	-140.7	0	0	125.6
261	S	37.3	Very low	35.2	Very low	115 Å²	115	138.2 Å²	138.2	80%	0.804	77%	0.771	S	S	*	*			trans	74.3	150.5	152.3	87.1	0	0	0	0	117.4
262	S	38	Very low	35.6	Very low	93 Å²	93	136 Å²	136	65%	0.65	77%	0.772	S	S	*	*			cis	-153.1	141.5	1.4	86	0	0	0	0	113.9
263	I	41.9	Very low	35.5	Very low	133 Å²	133	136.6 Å²	136.6	68%	0.682	78%	0.781	S	S	*	*			trans	71	118.6	135.9	-64.7	172.2	0	0	0	120.8
264	K	34.3	Very low	35.8	Very low	190 Å²	190	133.6 Å²	133.6	83%	0.826	78%	0.78	S	S	*	*			trans	65.1	135.1	158	-64.6	161.4	-167.9	169.4	0	116.6
265	S	34.9	Very low	36.3	Very low	118 Å²	118	134.2 Å²	134.2	83%	0.825	78%	0.781	S	S	*	*			cis	-141	169.3	36.8	-65.6	0	0	0	0	114.3
266	F	32.7	Very low	36.4	Very low	218 Å²	218	126.6 Å²	126.6	96%	0.956	78%	0.776	S	S	*	*			trans	-77.8	124.7	-174.5	-76.9	-101	0	0	0	114.5
267	S	33	Very low	36.9	Very low	112 Å²	112	126.3 Å²	126.3	78%	0.783	76%	0.759	S	S	*	*			trans	-145.3	144.7	139.9	58.1	0	0	0	0	108.5	I269	S267-I269 PolarHBondContact O-N 2.98Å
268	S	34.5	Very low	37.9	Very low	114 Å²	114	123.3 Å²	123.3	80%	0.797	74%	0.738	S	S	*	*			trans	-74.6	127	-168.9	52.3	0	0	0	0	112.6	S270	S268-S270 PolarHBondContact O-N 3.13Å
269	I	33.1	Very low	38.9	Very low	149 Å²	149	122.7 Å²	122.7	76%	0.764	73%	0.734	S	S	*	*			trans	-60.2	124.8	179.6	-67.7	167.5	0	0	0	111.2	S267 D271	S267-I269 PolarHBondContact O-N 2.98Å; I269-D271 HydrophobicContact CG2-CB 3.77Å; I269-D271 VanDerWaalsContact CG2-OD2 3.27Å; I269-D271 WeakPolarHBondContact CG2-OD2 3.17Å
270	S	35.3	Very low	39.6	Very low	113 Å²	113	126 Å²	126	79%	0.79	74%	0.736	S	S	*	*			trans	-104.2	52.7	176.8	63.7	0	0	0	0	112.1	S268 T272	S268-S270 PolarHBondContact O-N 3.13Å; S270-T272 PolarHBondContact O-N 3.04Å
271	D	33.6	Very low	40.6	Very low	145 Å²	145	122.7 Å²	122.7	78%	0.775	72%	0.721	S	S	*	*			trans	-98.3	72.1	178.3	-80.2	-49.7	0	0	0	112.2	I269	I269-D271 HydrophobicContact CG2-CB 3.77Å; I269-D271 VanDerWaalsContact CG2-OD2 3.27Å; I269-D271 WeakPolarHBondContact CG2-OD2 3.17Å
272	T	41.2	Very low	41.7	Very low	130 Å²	130	120 Å²	120	80%	0.798	70%	0.702	S	S	*	*	S	Bend	trans	-131.8	137.3	150.2	56.7	0	0	0	0	108.6	S270 G274	S270-T272 PolarHBondContact O-N 3.04Å; T272-G274 PolarHBondContact O-N 3.14Å
273	S	32.9	Very low	43.2	Very low	129 Å²	129	119.5 Å²	119.5	90%	0.902	70%	0.695	S	S	*	*			trans	-76.1	69	-174.3	62	0	0	0	0	112.2
274	G	39.4	Very low	44.8	Very low	63 Å²	63	121.4 Å²	121.4	65%	0.649	70%	0.695	S	S	*	*			trans	-87	140.9	170.9	0	0	0	0	0	111.7	T272 G276	T272-G274 PolarHBondContact O-N 3.14Å; G274-G276 PolarHBondContact O-N 3.45Å; G274-G276 VanDerWaalsContact O-N 3.09Å
275	I	47.1	Very low	46.6	Very low	141 Å²	141	116.2 Å²	116.2	72%	0.723	68%	0.676	S	S	*	*			trans	-70.1	106.1	169.5	-69.7	73.5	0	0	0	107.1	F277	I275-F277 PolarHBondContact O-N 2.93Å
276	G	36.5	Very low	48.6	Very low	75 Å²	75	115.3 Å²	115.3	77%	0.773	66%	0.661	S	S	*	*			trans	-72	102	170.5	0	0	0	0	0	109.9	G274	G274-G276 PolarHBondContact O-N 3.45Å; G274-G276 VanDerWaalsContact O-N 3.09Å
277	F	43.4	Very low	50.6	Low	119 Å²	119	108.6 Å²	108.6	52%	0.522	64%	0.641	S	S	.	*			trans	-58.5	140.8	173.1	-75.1	-79.6	0	0	0	111	I275 E281 L285	I275-F277 PolarHBondContact O-N 2.93Å; F277-E281 HydrophobicContact CB-CB 4.33Å; F277-E281 HydrophobicContact CD1-CB 3.97Å; F277-L285 HydrophobicContact CD1-CD1 4.07Å; F277-L285 HydrophobicContact CE1-CD1 3.84Å; F277-L285 HydrophobicContact CZ-CD1 4.08Å
278	S	52.3	Low	52.7	Low	46 Å²	46	106.5 Å²	106.5	32%	0.322	63%	0.626	S	S	.	*			trans	-58.9	145.6	168.5	175.1	0	0	0	0	110.2	Y280 E281 S282	S278-Y280 PolarHBondContact O-N 3.37Å; S278-Y280 VanDerWaalsContact O-N 3.08Å; S278-E281 WeakPolarHBondContact CB-OE2 3.44Å; S278-E281 PolarHBondContact N-OE2 2.83Å; S278-E281 PolarHBondContact O-N 3.28Å; S278-S282 PolarHBondContact O-N 3.38Å
279	P	62.2	Low	55	Low	97 Å²	97	105.9 Å²	105.9	63%	0.63	61%	0.613	S	S	*	*	H	α-helix	trans	-49.9	-37.2	174.1	-29.3	36.1	0	0	0	112.8	S282 T283	P279-S282 PolarHBondContact O-N 2.99Å; P279-S282 PolarHBondContact O-OG 3.14Å; P279-T283 PolarHBondContact O-N 2.98Å; P279-T283 VanDerWaalsContact O-N 3.12Å; P279-T283 PolarHBondContact O-OG1 3.2Å
280	Y	51.8	Low	57.3	Low	175 Å²	175	103.3 Å²	103.3	69%	0.686	60%	0.601	S	S	*	*	H	α-helix	trans	-67	-40.8	175.3	-64.3	-81.2	0	0	0	113.3	S278 S282 T283 Y284	S278-Y280 PolarHBondContact O-N 3.37Å; S278-Y280 VanDerWaalsContact O-N 3.08Å; Y280-S282 VanDerWaalsContact C-N 3.31Å; Y280-S282 PolarHBondContact O-N 2.97Å; Y280-T283 PolarHBondContact O-N 2.78Å; Y280-T283 PolarHBondContact O-OG1 2.91Å; Y280-Y284 VanDerWaalsContact O-CD2 3.25Å; Y280-Y284 WeakPolarHBondContact O-CD2 3.48Å; Y280-Y284 PolarHBondContact O-N 3.32Å
281	E	57.2	Low	59.8	Low	102 Å²	102	103.2 Å²	103.2	48%	0.477	59%	0.588	S	S	.	*	H	α-helix	trans	-66	-37.7	176	-67	172.9	134.1	0	0	111	F277 S278 T283 Y284 L285	F277-E281 HydrophobicContact CB-CB 4.33Å; F277-E281 HydrophobicContact CD1-CB 3.97Å; S278-E281 WeakPolarHBondContact CB-OE2 3.44Å; S278-E281 PolarHBondContact N-OE2 2.83Å; S278-E281 PolarHBondContact O-N 3.28Å; E281-T283 PolarHBondContact O-N 2.96Å; E281-Y284 PolarHBondContact O-N 3Å; E281-L285 WeakPolarHBondContact O-CB 3.46Å; E281-L285 PolarHBondContact O-N 3.32Å
282	S	61.5	Low	61.9	Low	58 Å²	58	98.8 Å²	98.8	41%	0.406	57%	0.571	S	S	.	*	H	α-helix	trans	-65.1	-36.7	176.9	77.7	0	0	0	0	112.8	S278 P279 Y280 L286	S278-S282 PolarHBondContact O-N 3.38Å; P279-S282 PolarHBondContact O-N 2.99Å; P279-S282 PolarHBondContact O-OG 3.14Å; Y280-S282 VanDerWaalsContact C-N 3.31Å; Y280-S282 PolarHBondContact O-N 2.97Å; S282-L286 VanDerWaalsContact O-CB 3.31Å; S282-L286 WeakPolarHBondContact O-CB 3.46Å; S282-L286 PolarHBondContact O-N 3.18Å
283	T	69.1	Low	64	Low	82 Å²	82	99.6 Å²	99.6	50%	0.503	56%	0.561	S	S	.	*	H	α-helix	trans	-74.2	-36.5	175.2	54.6	0	0	0	0	112.4	P279 Y280 E281 L286 S287	P279-T283 PolarHBondContact O-N 2.98Å; P279-T283 VanDerWaalsContact O-N 3.12Å; P279-T283 PolarHBondContact O-OG1 3.2Å; Y280-T283 PolarHBondContact O-N 2.78Å; Y280-T283 PolarHBondContact O-OG1 2.91Å; E281-T283 PolarHBondContact O-N 2.96Å; T283-L286 PolarHBondContact O-N 2.8Å; T283-S287 VanDerWaalsContact O-CB 3.29Å; T283-S287 WeakPolarHBondContact O-CB 3.41Å; T283-S287 PolarHBondContact O-N 2.91Å
284	Y	74.3	Confident	66.4	Low	174 Å²	174	96.1 Å²	96.1	68%	0.682	54%	0.54	S	S	*	.	H	α-helix	trans	-64.3	-41.2	171.6	-87.1	-68.9	0	0	0	112.7	Y280 E281 S288	Y280-Y284 VanDerWaalsContact O-CD2 3.25Å; Y280-Y284 WeakPolarHBondContact O-CD2 3.48Å; Y280-Y284 PolarHBondContact O-N 3.32Å; E281-Y284 PolarHBondContact O-N 3Å; Y284-S288 WeakPolarHBondContact O-CB 3.38Å; Y284-S288 PolarHBondContact O-N 3.18Å; Y284-S288 PolarHBondContact O-OG 3.08Å
285	L	73.3	Confident	68.5	Low	81 Å²	81	98.7 Å²	98.7	42%	0.424	53%	0.533	S	S	.	.	H	α-helix	trans	-62.7	-50.1	173.7	-85.2	166.6	0	0	0	111.2	F277 E281 S287 S288 I289	F277-L285 HydrophobicContact CD1-CD1 4.07Å; F277-L285 HydrophobicContact CE1-CD1 3.84Å; F277-L285 HydrophobicContact CZ-CD1 4.08Å; E281-L285 WeakPolarHBondContact O-CB 3.46Å; E281-L285 PolarHBondContact O-N 3.32Å; L285-S287 VanDerWaalsContact C-N 3.34Å; L285-S287 PolarHBondContact O-N 2.92Å; L285-S288 WeakPolarHBondContact O-CB 3.43Å; L285-S288 PolarHBondContact O-N 3.15Å; L285-S288 VanDerWaalsContact O-N 3.13Å; L285-I289 VanDerWaalsContact O-CG1 3.29Å; L285-I289 WeakPolarHBondContact O-CG1 3.48Å; L285-I289 PolarHBondContact O-N 3.32Å
286	L	75.7	Confident	70.2	Confident	99 Å²	99	97.2 Å²	97.2	52%	0.518	53%	0.526	S	S	.	.	H	α-helix	trans	-62.4	-39.7	-180	-173.9	59.8	0	0	0	112.3	S282 T283 I289 N290	S282-L286 VanDerWaalsContact O-CB 3.31Å; S282-L286 WeakPolarHBondContact O-CB 3.46Å; S282-L286 PolarHBondContact O-N 3.18Å; T283-L286 PolarHBondContact O-N 2.8Å; L286-I289 PolarHBondContact O-N 3.31Å; L286-N290 WeakPolarHBondContact O-CB 3.34Å; L286-N290 PolarHBondContact O-N 3.21Å; L286-N290 PolarHBondContact O-ND2 3.46Å
287	S	75.5	Confident	72.6	Confident	76 Å²	76	98.1 Å²	98.1	53%	0.531	51%	0.513	S	S	.	.	H	α-helix	trans	-61.5	-43.2	173.2	-172.6	0	0	0	0	111.8	T283 L285 N290 E291	T283-S287 VanDerWaalsContact O-CB 3.29Å; T283-S287 WeakPolarHBondContact O-CB 3.41Å; T283-S287 PolarHBondContact O-N 2.91Å; L285-S287 VanDerWaalsContact C-N 3.34Å; L285-S287 PolarHBondContact O-N 2.92Å; S287-N290 PolarHBondContact O-N 3.22Å; S287-E291 WeakPolarHBondContact O-CB 3.48Å; S287-E291 PolarHBondContact O-N 3.48Å
288	S	76.8	Confident	74.4	Confident	69 Å²	69	95.6 Å²	95.6	48%	0.483	51%	0.514	S	S	.	.	H	α-helix	trans	-66.1	-39.2	178.9	-58.1	0	0	0	0	112.2	Y284 L285 A292	Y284-S288 WeakPolarHBondContact O-CB 3.38Å; Y284-S288 PolarHBondContact O-N 3.18Å; Y284-S288 PolarHBondContact O-OG 3.08Å; L285-S288 WeakPolarHBondContact O-CB 3.43Å; L285-S288 PolarHBondContact O-N 3.15Å; L285-S288 VanDerWaalsContact O-N 3.13Å; S288-A292 WeakPolarHBondContact O-CB 3.2Å; S288-A292 PolarHBondContact O-N 2.96Å
289	I	82	Confident	75.8	Confident	101 Å²	101	100.8 Å²	100.8	52%	0.518	53%	0.526	S	S	.	.	H	α-helix	trans	-64.9	-46.2	175.4	-69.6	163.3	0	0	0	110.5	L285 L286 E291 A292 Y293	L285-I289 VanDerWaalsContact O-CG1 3.29Å; L285-I289 WeakPolarHBondContact O-CG1 3.48Å; L285-I289 PolarHBondContact O-N 3.32Å; L286-I289 PolarHBondContact O-N 3.31Å; I289-E291 PolarHBondContact O-N 2.83Å; I289-A292 PolarHBondContact O-N 2.97Å; I289-Y293 WeakPolarHBondContact O-CB 3.43Å; I289-Y293 PolarHBondContact O-N 3.48Å
290	N	81.6	Confident	76.6	Confident	94 Å²	94	101 Å²	101	50%	0.503	52%	0.519	S	S	.	.	H	α-helix	trans	-63.2	-40.8	178.2	-70.7	-15.5	0	0	0	112	L286 S287 Y293 A294	L286-N290 WeakPolarHBondContact O-CB 3.34Å; L286-N290 PolarHBondContact O-N 3.21Å; L286-N290 PolarHBondContact O-ND2 3.46Å; S287-N290 PolarHBondContact O-N 3.22Å; N290-Y293 PolarHBondContact O-N 3.03Å; N290-A294 WeakPolarHBondContact O-CB 3.38Å; N290-A294 PolarHBondContact O-N 2.88Å
291	E	87.6	Confident	77.8	Confident	112 Å²	112	95.2 Å²	95.2	52%	0.523	51%	0.507	S	S	.	.	H	α-helix	trans	-65.4	-39.4	175.8	-156.7	-153.6	173.1	0	0	111.9	S287 I289 K295	S287-E291 WeakPolarHBondContact O-CB 3.48Å; S287-E291 PolarHBondContact O-N 3.48Å; I289-E291 PolarHBondContact O-N 2.83Å; E291-K295 WeakPolarHBondContact O-CD 3.44Å; E291-K295 VanDerWaalsContact O-CG 3.26Å; E291-K295 WeakPolarHBondContact O-CG 3.41Å; E291-K295 PolarHBondContact O-N 2.93Å; E291-K295 VanDerWaalsContact O-N 3.13Å; E291-K295 WeakPolarHBondContact OE1-CE 3.43Å; E291-K295 IonicContact OE1-NZ 3.5Å; E291-K295 PolarHBondContact OE1-NZ 3.48Å; E291-K295 IonicContact OE2-NZ 2.82Å; E291-K295 PolarHBondContact OE2-NZ 3.5Å
292	A	78.3	Confident	79	Confident	51 Å²	51	96.8 Å²	96.8	42%	0.421	51%	0.51	S	S	.	.	H	α-helix	trans	-65.7	-40.7	174.6	0	0	0	0	0	112.3	S288 I289 K295 L296	S288-A292 WeakPolarHBondContact O-CB 3.2Å; S288-A292 PolarHBondContact O-N 2.96Å; I289-A292 PolarHBondContact O-N 2.97Å; A292-K295 PolarHBondContact O-N 2.93Å; A292-L296 PolarHBondContact O-N 3.27Å
293	Y	86.4	Confident	79.7	Confident	147 Å²	147	97.7 Å²	97.7	58%	0.576	51%	0.51	S	S	*	.	H	α-helix	trans	-66	-43.2	177.4	-171	-106.9	0	0	0	112.1	I289 N290 K295 L296 L297	I289-Y293 WeakPolarHBondContact O-CB 3.43Å; I289-Y293 PolarHBondContact O-N 3.48Å; N290-Y293 PolarHBondContact O-N 3.03Å; Y293-K295 VanDerWaalsContact C-N 3.32Å; Y293-K295 PolarHBondContact O-N 3.12Å; Y293-L296 WeakPolarHBondContact O-CB 3.38Å; Y293-L296 PolarHBondContact O-N 2.95Å; Y293-L296 VanDerWaalsContact O-N 3.13Å; Y293-L297 HydrophobicContact CD1-CD1 3.97Å; Y293-L297 HydrophobicContact CD1-CG 4.46Å; Y293-L297 HydrophobicContact CE1-CD1 3.54Å; Y293-L297 HydrophobicContact CE1-CG 4.12Å; Y293-L297 PolarHBondContact O-N 3.42Å
294	A	82.7	Confident	79.9	Confident	56 Å²	56	97.5 Å²	97.5	46%	0.463	51%	0.506	S	S	.	.	H	α-helix	trans	-60	-40.7	173.8	0	0	0	0	0	112.3	N290 L296 L297 A298	N290-A294 WeakPolarHBondContact O-CB 3.38Å; N290-A294 PolarHBondContact O-N 2.88Å; A294-L296 VanDerWaalsContact C-N 3.34Å; A294-L296 PolarHBondContact O-N 2.91Å; A294-L297 PolarHBondContact O-N 2.65Å; A294-A298 WeakPolarHBondContact O-CB 3.39Å; A294-A298 PolarHBondContact O-N 3.25Å
295	K	83.9	Confident	79.7	Confident	117 Å²	117	96.5 Å²	96.5	51%	0.509	51%	0.505	S	S	.	.	H	α-helix	trans	-65	-34.1	174.6	-71.9	164.7	-174.9	167.4	0	112.6	E291 A292 Y293 R299	E291-K295 WeakPolarHBondContact O-CD 3.44Å; E291-K295 VanDerWaalsContact O-CG 3.26Å; E291-K295 WeakPolarHBondContact O-CG 3.41Å; E291-K295 PolarHBondContact O-N 2.93Å; E291-K295 VanDerWaalsContact O-N 3.13Å; E291-K295 WeakPolarHBondContact OE1-CE 3.43Å; E291-K295 IonicContact OE1-NZ 3.5Å; E291-K295 PolarHBondContact OE1-NZ 3.48Å; E291-K295 IonicContact OE2-NZ 2.82Å; E291-K295 PolarHBondContact OE2-NZ 3.5Å; A292-K295 PolarHBondContact O-N 2.93Å; Y293-K295 VanDerWaalsContact C-N 3.32Å; Y293-K295 PolarHBondContact O-N 3.12Å; K295-R299 WeakPolarHBondContact O-CB 3.45Å; K295-R299 PolarHBondContact O-N 3.18Å; K295-R299 VanDerWaalsContact O-N 3.14Å
296	L	82.2	Confident	79	Confident	110 Å²	110	96.5 Å²	96.5	58%	0.576	50%	0.504	S	S	*	.	H	α-helix	trans	-68.7	-48	174	-82.8	166	0	0	0	112	A292 Y293 A294 A298 R299 Q300	A292-L296 PolarHBondContact O-N 3.27Å; Y293-L296 WeakPolarHBondContact O-CB 3.38Å; Y293-L296 PolarHBondContact O-N 2.95Å; Y293-L296 VanDerWaalsContact O-N 3.13Å; A294-L296 VanDerWaalsContact C-N 3.34Å; A294-L296 PolarHBondContact O-N 2.91Å; L296-A298 PolarHBondContact O-N 3.11Å; L296-R299 WeakPolarHBondContact O-CB 3.43Å; L296-R299 PolarHBondContact O-N 3.39Å; L296-R299 VanDerWaalsContact O-N 3.14Å; L296-Q300 PolarHBondContact O-N 2.88Å
297	L	86.5	Confident	78	Confident	94 Å²	94	95.9 Å²	95.9	49%	0.492	50%	0.504	S	S	.	.	H	α-helix	trans	-60.5	-43.5	176.7	-72.4	177.1	0	0	0	112.2	Y293 A294 R299 Q300 A301	Y293-L297 HydrophobicContact CD1-CD1 3.97Å; Y293-L297 HydrophobicContact CD1-CG 4.46Å; Y293-L297 HydrophobicContact CE1-CD1 3.54Å; Y293-L297 HydrophobicContact CE1-CG 4.12Å; Y293-L297 PolarHBondContact O-N 3.42Å; A294-L297 PolarHBondContact O-N 2.65Å; L297-R299 VanDerWaalsContact C-N 3.28Å; L297-R299 PolarHBondContact O-N 3.27Å; L297-Q300 PolarHBondContact O-N 3.41Å; L297-A301 PolarHBondContact O-N 3.05Å
298	A	81.8	Confident	76.7	Confident	66 Å²	66	99 Å²	99	55%	0.545	51%	0.508	S	S	.	.	H	α-helix	trans	-61.8	-35.2	175.6	0	0	0	0	0	112.6	A294 L296 Y302	A294-A298 WeakPolarHBondContact O-CB 3.39Å; A294-A298 PolarHBondContact O-N 3.25Å; L296-A298 PolarHBondContact O-N 3.11Å; A298-Y302 WeakPolarHBondContact O-CB 3.43Å; A298-Y302 PolarHBondContact O-N 3.01Å
299	R	80.7	Confident	75.1	Confident	155 Å²	155	100.9 Å²	100.9	59%	0.585	51%	0.513	S	S	*	.	H	α-helix	trans	-69.6	-40.6	174	-174.3	-179.4	-178.2	-176.1	0.8	111.9	K295 L296 L297 Y302 L303	K295-R299 WeakPolarHBondContact O-CB 3.45Å; K295-R299 PolarHBondContact O-N 3.18Å; K295-R299 VanDerWaalsContact O-N 3.14Å; L296-R299 WeakPolarHBondContact O-CB 3.43Å; L296-R299 PolarHBondContact O-N 3.39Å; L296-R299 VanDerWaalsContact O-N 3.14Å; L297-R299 VanDerWaalsContact C-N 3.28Å; L297-R299 PolarHBondContact O-N 3.27Å; R299-Y302 PolarHBondContact O-N 2.91Å; R299-L303 HydrophobicContact CG-CD1 4.47Å; R299-L303 WeakPolarHBondContact O-CG 3.21Å; R299-L303 PolarHBondContact O-N 3.19Å; R299-L303 VanDerWaalsContact O-N 3.12Å
300	Q	79.5	Confident	73.2	Confident	101 Å²	101	99 Å²	99	47%	0.472	51%	0.512	S	S	.	.	H	α-helix	trans	-63.8	-51.9	178	-171.7	57.8	46.3	0	0	110.8	L296 L297 Y302 L303 D304	L296-Q300 PolarHBondContact O-N 2.88Å; L297-Q300 PolarHBondContact O-N 3.41Å; Q300-Y302 PolarHBondContact O-N 3.01Å; Q300-Y302 VanDerWaalsContact O-N 3.11Å; Q300-L303 WeakPolarHBondContact O-CA 3.47Å; Q300-L303 WeakPolarHBondContact O-CB 3.37Å; Q300-L303 PolarHBondContact O-N 3.48Å; Q300-D304 PolarHBondContact NE2-OD1 3.37Å; Q300-D304 PolarHBondContact O-N 3.29Å
301	A	77.4	Confident	71.3	Confident	54 Å²	54	98.2 Å²	98.2	45%	0.446	51%	0.511	S	S	.	.	H	α-helix	trans	-60.5	-25.5	178.3	0	0	0	0	0	113.8	L297 K305	L297-A301 PolarHBondContact O-N 3.05Å; A301-K305 WeakPolarHBondContact O-CG 3.4Å; A301-K305 PolarHBondContact O-N 3.38Å
302	Y	81.3	Confident	69.1	Low	136 Å²	136	95.9 Å²	95.9	53%	0.533	51%	0.505	S	S	.	.	H	α-helix	trans	-73	-42	171.3	-178.8	-93.9	0	0	0	112.4	A298 R299 Q300 K305 M306	A298-Y302 WeakPolarHBondContact O-CB 3.43Å; A298-Y302 PolarHBondContact O-N 3.01Å; R299-Y302 PolarHBondContact O-N 2.91Å; Q300-Y302 PolarHBondContact O-N 3.01Å; Q300-Y302 VanDerWaalsContact O-N 3.11Å; Y302-K305 PolarHBondContact O-N 3.12Å; Y302-M306 HydrophobicContact CD1-SD 4.36Å; Y302-M306 HydrophobicContact CE1-CE 3.8Å; Y302-M306 HydrophobicContact CE1-CG 4.47Å; Y302-M306 HydrophobicContact CE1-SD 3.68Å; Y302-M306 PolarHBondContact O-N 2.96Å; Y302-M306 WeakPolarHBondContact OH-CE 3.36Å
303	L	76.9	Confident	67.1	Low	77 Å²	77	99.1 Å²	99.1	40%	0.403	52%	0.519	S	S	.	.	H	α-helix	trans	-65.5	-41.9	174.9	-68.2	170.8	0	0	0	111.5	R299 Q300 K305 M306 T307	R299-L303 HydrophobicContact CG-CD1 4.47Å; R299-L303 WeakPolarHBondContact O-CG 3.21Å; R299-L303 PolarHBondContact O-N 3.19Å; R299-L303 VanDerWaalsContact O-N 3.12Å; Q300-L303 WeakPolarHBondContact O-CA 3.47Å; Q300-L303 WeakPolarHBondContact O-CB 3.37Å; Q300-L303 PolarHBondContact O-N 3.48Å; L303-K305 VanDerWaalsContact C-N 3.31Å; L303-K305 PolarHBondContact O-N 3.11Å; L303-M306 WeakPolarHBondContact O-CA 3.37Å; L303-M306 WeakPolarHBondContact O-CB 3.45Å; L303-M306 PolarHBondContact O-N 3.06Å; L303-T307 PolarHBondContact O-N 3.38Å; L303-T307 PolarHBondContact O-OG1 2.89Å
304	D	73.3	Confident	64.6	Low	78 Å²	78	95.7 Å²	95.7	42%	0.417	52%	0.517	S	S	.	.	H	α-helix	trans	-63.3	-37	178.5	-58	-29.8	0	0	0	111.8	Q300 M306 T307 F308	Q300-D304 PolarHBondContact NE2-OD1 3.37Å; Q300-D304 PolarHBondContact O-N 3.29Å; D304-M306 VanDerWaalsContact C-N 3.33Å; D304-T307 WeakPolarHBondContact CA-OG1 3.37Å; D304-T307 PolarHBondContact O-OG1 3.03Å; D304-T307 VanDerWaalsContact O-OG1 3.05Å; D304-F308 WeakPolarHBondContact O-CB 3.45Å; D304-F308 PolarHBondContact O-N 3.34Å
305	K	69.9	Low	62.2	Low	152 Å²	152	98.7 Å²	98.7	66%	0.661	53%	0.525	S	S	*	.	H	α-helix	trans	-67	-32.2	171.3	-78.6	-174.7	175.9	-172.7	0	113	A301 Y302 L303 N309	A301-K305 WeakPolarHBondContact O-CG 3.4Å; A301-K305 PolarHBondContact O-N 3.38Å; Y302-K305 PolarHBondContact O-N 3.12Å; L303-K305 VanDerWaalsContact C-N 3.31Å; L303-K305 PolarHBondContact O-N 3.11Å; K305-N309 WeakPolarHBondContact O-CB 3.37Å; K305-N309 PolarHBondContact O-N 2.94Å
306	M	59	Low	59.7	Low	82 Å²	82	99.7 Å²	99.7	40%	0.404	54%	0.536	S	S	.	.	H	α-helix	trans	-74.1	-40	175.9	-76.4	-167.9	153.8	0	0	112.5	Y302 L303 D304 A310	Y302-M306 HydrophobicContact CD1-SD 4.36Å; Y302-M306 HydrophobicContact CE1-CE 3.8Å; Y302-M306 HydrophobicContact CE1-CG 4.47Å; Y302-M306 HydrophobicContact CE1-SD 3.68Å; Y302-M306 PolarHBondContact O-N 2.96Å; Y302-M306 WeakPolarHBondContact OH-CE 3.36Å; L303-M306 WeakPolarHBondContact O-CA 3.37Å; L303-M306 WeakPolarHBondContact O-CB 3.45Å; L303-M306 PolarHBondContact O-N 3.06Å; D304-M306 VanDerWaalsContact C-N 3.33Å; M306-A310 WeakPolarHBondContact O-CB 3.42Å; M306-A310 PolarHBondContact O-N 2.81Å; M306-A310 VanDerWaalsContact O-N 3.09Å
307	T	53.8	Low	57.4	Low	85 Å²	85	99.9 Å²	99.9	52%	0.521	54%	0.542	S	S	.	.	H	α-helix	trans	-67	-42.8	175.1	50.4	0	0	0	0	111.5	L303 D304 N309 A310 T311	L303-T307 PolarHBondContact O-N 3.38Å; L303-T307 PolarHBondContact O-OG1 2.89Å; D304-T307 WeakPolarHBondContact CA-OG1 3.37Å; D304-T307 PolarHBondContact O-OG1 3.03Å; D304-T307 VanDerWaalsContact O-OG1 3.05Å; T307-N309 PolarHBondContact O-N 2.72Å; T307-A310 PolarHBondContact O-N 3.18Å; T307-T311 PolarHBondContact O-N 3.06Å; T307-T311 PolarHBondContact O-OG1 3.39Å; T307-T311 VanDerWaalsContact O-OG1 3.12Å
308	F	48.3	Very low	54.9	Low	142 Å²	142	102.7 Å²	102.7	62%	0.623	56%	0.558	S	S	*	*	H	α-helix	trans	-61.7	-45.9	178.2	-150.5	-89.6	0	0	0	111.9	D304 A310 T311 T312	D304-F308 WeakPolarHBondContact O-CB 3.45Å; D304-F308 PolarHBondContact O-N 3.34Å; F308-A310 VanDerWaalsContact C-N 3.29Å; F308-A310 PolarHBondContact O-N 2.94Å; F308-T311 PolarHBondContact O-N 2.82Å; F308-T311 PolarHBondContact O-OG1 3.31Å; F308-T312 HydrophobicContact CD1-CG2 3.83Å; F308-T312 HydrophobicContact CE1-CG2 3.73Å; F308-T312 WeakPolarHBondContact O-CG2 3.35Å; F308-T312 PolarHBondContact O-N 2.76Å; F308-T312 PolarHBondContact O-OG1 2.91Å; F308-T312 VanDerWaalsContact O-OG1 3.06Å
309	N	43.4	Very low	52.7	Low	109 Å²	109	107.9 Å²	107.9	58%	0.583	58%	0.575	S	S	*	*	H	α-helix	trans	-63.9	-31.5	176.4	-74.1	-1.6	0	0	0	113.2	K305 T307 T312 T313	K305-N309 WeakPolarHBondContact O-CB 3.37Å; K305-N309 PolarHBondContact O-N 2.94Å; T307-N309 PolarHBondContact O-N 2.72Å; N309-T312 WeakPolarHBondContact CA-OG1 3.22Å; N309-T312 PolarHBondContact O-OG1 2.88Å; N309-T313 PolarHBondContact O-OG1 2.85Å
310	A	42.4	Very low	50.1	Low	61 Å²	61	108.3 Å²	108.3	50%	0.504	59%	0.588	S	S	.	*	H	α-helix	trans	-72.3	-35.1	175.8	0	0	0	0	0	112.3	M306 T307 F308 T313	M306-A310 WeakPolarHBondContact O-CB 3.42Å; M306-A310 PolarHBondContact O-N 2.81Å; M306-A310 VanDerWaalsContact O-N 3.09Å; T307-A310 PolarHBondContact O-N 3.18Å; F308-A310 VanDerWaalsContact C-N 3.29Å; F308-A310 PolarHBondContact O-N 2.94Å; A310-T313 PolarHBondContact O-OG1 2.75Å
311	T	41.9	Very low	47.8	Very low	77 Å²	77	109 Å²	109	47%	0.472	60%	0.599	S	S	.	*	H	α-helix	trans	-81.5	-26.7	177.6	48.3	0	0	0	0	114.2	T307 F308 T313 S314	T307-T311 PolarHBondContact O-N 3.06Å; T307-T311 PolarHBondContact O-OG1 3.39Å; T307-T311 VanDerWaalsContact O-OG1 3.12Å; F308-T311 PolarHBondContact O-N 2.82Å; F308-T311 PolarHBondContact O-OG1 3.31Å; T311-T313 VanDerWaalsContact C-N 3.32Å; T311-S314 PolarHBondContact O-OG 3.01Å
312	T	41.2	Very low	45.6	Very low	63 Å²	63	113.1 Å²	113.1	39%	0.387	61%	0.614	S	S	.	*	H	α-helix	trans	-78.8	-13.5	177.6	50.7	0	0	0	0	113.8	F308 N309 N316	F308-T312 HydrophobicContact CD1-CG2 3.83Å; F308-T312 HydrophobicContact CE1-CG2 3.73Å; F308-T312 WeakPolarHBondContact O-CG2 3.35Å; F308-T312 PolarHBondContact O-N 2.76Å; F308-T312 PolarHBondContact O-OG1 2.91Å; F308-T312 VanDerWaalsContact O-OG1 3.06Å; N309-T312 WeakPolarHBondContact CA-OG1 3.22Å; N309-T312 PolarHBondContact O-OG1 2.88Å; T312-N316 PolarHBondContact O-ND2 3.02Å
313	T	37.2	Very low	43.3	Very low	120 Å²	120	114.4 Å²	114.4	74%	0.736	63%	0.628	S	S	*	*	S	Bend	trans	-100.8	-7	179.8	46	0	0	0	0	114.6	N309 A310 T311	N309-T313 PolarHBondContact O-OG1 2.85Å; A310-T313 PolarHBondContact O-OG1 2.75Å; T311-T313 VanDerWaalsContact C-N 3.32Å
314	S	32.6	Very low	41.1	Very low	75 Å²	75	114.7 Å²	114.7	52%	0.524	64%	0.642	S	S	.	*	S	Bend	trans	-100.4	-11.3	-179.9	56.6	0	0	0	0	115.7	T311	T311-S314 PolarHBondContact O-OG 3.01Å
315	N	33.2	Very low	39	Very low	119 Å²	119	118.1 Å²	118.1	64%	0.636	66%	0.658	S	S	*	*	S	Bend	trans	-118.1	21.8	-162	-63.5	8.5	0	0	0	114.2
316	N	31.8	Very low	37.3	Very low	138 Å²	138	118.2 Å²	118.2	74%	0.738	67%	0.666	S	S	*	*	S	Bend	trans	-125.4	26.5	-172.6	-75.7	-59.9	0	0	0	114.1	T312	T312-N316 PolarHBondContact O-ND2 3.02Å
317	T	34	Very low	36	Very low	114 Å²	114	120.8 Å²	120.8	70%	0.699	69%	0.687	S	S	*	*	S	Bend	trans	-140.2	149.3	165.1	47	0	0	0	0	109.1
318	D	32.8	Very low	35.2	Very low	153 Å²	153	122.9 Å²	122.9	82%	0.818	70%	0.702	S	S	*	*	S	Bend	trans	70.7	150.5	-176.9	-52.1	-35.3	0	0	0	116.7
319	L	35.6	Very low	34.5	Very low	174 Å²	174	119.2 Å²	119.2	91%	0.911	70%	0.704	S	S	*	*			trans	61.7	47.4	177.7	-58.4	177.6	0	0	0	117.4
320	L	27.9	Very low	34	Very low	164 Å²	164	124.1 Å²	124.1	86%	0.859	72%	0.72	S	S	*	*			trans	-80.6	150.6	136.9	-78.9	173.8	0	0	0	109.8
321	T	29.6	Very low	33.7	Very low	115 Å²	115	125.1 Å²	125.1	71%	0.706	73%	0.729	S	S	*	*	S	Bend	trans	81.9	143	-178	75.3	0	0	0	0	117.7
322	N	32.2	Very low	33.2	Very low	142 Å²	142	127.7 Å²	127.7	76%	0.759	74%	0.744	S	S	*	*			trans	86.4	126.2	166.6	-53.9	-42.3	0	0	0	119.7
323	I	33.1	Very low	32.9	Very low	163 Å²	163	130.8 Å²	130.8	84%	0.836	76%	0.763	S	S	*	*			trans	64.1	95.2	159.3	-52.4	155.5	0	0	0	114.5
324	A	29.3	Very low	32.7	Very low	82 Å²	82	132.4 Å²	132.4	68%	0.678	77%	0.766	S	S	*	*			cis	80	105.6	42.3	0	0	0	0	0	115.8
325	I	30	Very low	32.8	Very low	150 Å²	150	133.4 Å²	133.4	77%	0.769	77%	0.77	S	S	*	*			trans	56	110.6	146.1	-46.2	172.2	0	0	0	118
326	N	33.5	Very low	32.9	Very low	154 Å²	154	135.8 Å²	135.8	82%	0.824	78%	0.778	S	S	*	*				-176.3	126.1	121.9	-95.8	-41	0	0	0	112.2
327	T	31.8	Very low	33.1	Very low	136 Å²	136	136.9 Å²	136.9	83%	0.834	78%	0.784	S	S	*	*			trans	-148.5	112.9	171.5	-49.4	0	0	0	0	109.6	G329	T327-G329 PolarHBondContact O-N 3.42Å
328	P	36.4	Very low	33.1	Very low	130 Å²	130	137.6 Å²	137.6	84%	0.844	79%	0.788	S	S	*	*			trans	-87.2	101.1	-173.3	31.9	-32.7	0	0	0	113.3
329	G	35.6	Very low	33.3	Very low	64 Å²	64	133.3 Å²	133.3	66%	0.66	78%	0.779	S	S	*	*			trans	36	138.1	141.2	0	0	0	0	0	123.9	T327	T327-G329 PolarHBondContact O-N 3.42Å
330	F	32.5	Very low	33.2	Very low	213 Å²	213	132.8 Å²	132.8	93%	0.934	78%	0.777	S	S	*	*			trans	-145.3	129.7	130.5	-110.7	-76.3	0	0	0	111.4
331	A	34.7	Very low	33.6	Very low	82 Å²	82	131 Å²	131	68%	0.678	77%	0.774	S	S	*	*			trans	48.7	107.7	163	0	0	0	0	0	122.1
332	T	32.3	Very low	33.9	Very low	130 Å²	130	132.4 Å²	132.4	80%	0.798	77%	0.772	S	S	*	*				33.6	137.6	122.3	4.6	0	0	0	0	120.6
333	T	34.1	Very low	34	Very low	128 Å²	128	135.5 Å²	135.5	79%	0.785	77%	0.773	S	S	*	*			cis	-149.8	167	27.3	-51	0	0	0	0	112.8
334	I	32.9	Very low	34	Very low	154 Å²	154	132.5 Å²	132.5	79%	0.79	77%	0.766	S	S	*	*			trans	-117.2	-172.3	-170.3	1.9	175.5	0	0	0	110.4
335	P	36.4	Very low	34.3	Very low	96 Å²	96	137.4 Å²	137.4	62%	0.623	77%	0.773	S	S	*	*			cis	-142.4	173.2	-9	30.5	-5.9	0	0	0	119.5
336	Q	35.1	Very low	34.3	Very low	170 Å²	170	137.4 Å²	137.4	79%	0.794	77%	0.773	S	S	*	*			trans	73.3	125.6	136.6	-79.5	160.6	4.2	0	0	125.9
337	N	34.3	Very low	34.4	Very low	161 Å²	161	136.5 Å²	136.5	86%	0.861	77%	0.773	S	S	*	*			trans	-152	168.8	134	-137.2	-87.5	0	0	0	111.9
338	V	35.4	Very low	34.3	Very low	129 Å²	129	137.2 Å²	137.2	78%	0.782	77%	0.772	S	S	*	*			trans	-151	140.9	-165.2	179.2	0	0	0	0	115.4
339	G	36.6	Very low	34.6	Very low	62 Å²	62	136.4 Å²	136.4	64%	0.639	77%	0.766	S	S	*	*			trans	119	156.3	158	0	0	0	0	0	116
340	N	34.1	Very low	34.5	Very low	163 Å²	163	142.8 Å²	142.8	87%	0.872	78%	0.781	S	S	*	*			cis	-159.4	-178.1	-7.9	-110.6	-8.7	0	0	0	112.3
341	T	35.5	Very low	34.4	Very low	127 Å²	127	139.9 Å²	139.9	78%	0.779	78%	0.775	S	S	*	*			trans	-111.2	-173.7	-156.9	-41.1	0	0	0	0	115.3
342	E	35.9	Very low	34.7	Very low	145 Å²	145	140.6 Å²	140.6	68%	0.678	77%	0.773	S	S	*	*			trans	96	142.9	160.8	-61.1	-118.2	133.1	0	0	117.4
343	R	34.6	Very low	34.7	Very low	207 Å²	207	139.6 Å²	139.6	78%	0.781	77%	0.772	S	S	*	*			cis	-161.5	-168.4	-11.9	-155.4	156	-176.1	165.5	-0.7	111.9
344	S	32.1	Very low	34.7	Very low	99 Å²	99	139 Å²	139	69%	0.692	77%	0.768	S	S	*	*			trans	-133.3	160.8	-161	57.7	0	0	0	0	117.2
345	K	35.7	Very low	34.7	Very low	186 Å²	186	139.6 Å²	139.6	81%	0.809	77%	0.767	S	S	*	*			trans	166.5	128	140	-90.1	160	-177	-175.5	0	111.9
346	I	31.4	Very low	34.4	Very low	150 Å²	150	143.4 Å²	143.4	77%	0.769	78%	0.779	S	S	*	*				60	115.9	87.8	-54.3	172.8	0	0	0	112.3
347	T	35.6	Very low	34.2	Very low	134 Å²	134	144.3 Å²	144.3	82%	0.822	78%	0.78	S	S	*	*				-166.6	168.3	76.8	-40.6	0	0	0	0	113.2
348	N	29.3	Very low	34.1	Very low	152 Å²	152	143.7 Å²	143.7	81%	0.813	78%	0.777	S	S	*	*			trans	-115.8	-173.2	-179.3	-92	-19.8	0	0	0	111.6
349	P	41.9	Very low	33.6	Very low	112 Å²	112	143.3 Å²	143.3	73%	0.727	78%	0.775	S	S	*	*			cis	-138.3	170	-47.9	39.9	-24.5	0	0	0	114.5
350	M	34.4	Very low	33.3	Very low	198 Å²	198	150.1 Å²	150.1	98%	0.975	78%	0.783	S	S	*	*			trans	-168.5	179.6	139	-115	-167.2	173.9	0	0	114.4
351	N	30.6	Very low	33.1	Very low	152 Å²	152	147.6 Å²	147.6	81%	0.813	77%	0.768	S	S	*	*			trans	-135.3	178.5	-160.7	-137.7	2.4	0	0	0	109.8
352	P	40.9	Very low	32.8	Very low	98 Å²	98	147.1 Å²	147.1	64%	0.636	77%	0.767	S	S	*	*			cis	-138.8	-169.2	-5	43.6	-24.7	0	0	0	116.5
353	S	31.4	Very low	32.6	Very low	109 Å²	109	149 Å²	149	76%	0.762	78%	0.775	S	S	*	*			trans	82	145.7	163.1	88.7	0	0	0	0	117
354	T	34.4	Very low	32.4	Very low	115 Å²	115	143 Å²	143	71%	0.706	77%	0.77	S	S	*	*			cis	-150.8	148.1	-1.2	-32	0	0	0	0	112.2
355	Q	32.8	Very low	32.3	Very low	167 Å²	167	146.2 Å²	146.2	78%	0.78	78%	0.779	S	S	*	*			trans	67	145.9	169.5	-44.4	-161.9	45.4	0	0	116.7
356	M	31.3	Very low	32	Very low	175 Å²	175	145.5 Å²	145.5	86%	0.862	78%	0.778	S	S	*	*			cis	-118.8	168.3	-1.1	-79.3	-167.5	169.2	0	0	112.9
357	K	29.3	Very low	32.1	Very low	190 Å²	190	143.7 Å²	143.7	83%	0.826	78%	0.775	S	S	*	*			trans	-94.5	165.4	-179.8	-80.8	178.2	177.1	176.7	0	111.4
358	N	32.5	Very low	31.7	Very low	148 Å²	148	147 Å²	147	79%	0.791	78%	0.778	S	S	*	*			cis	-155.4	169	14.8	-125.4	3.2	0	0	0	111.7
359	T	26	Very low	32.1	Very low	120 Å²	120	145 Å²	145	74%	0.736	78%	0.776	S	S	*	*			trans	-98.6	152.6	-176.5	-38.4	0	0	0	0	114.1
360	Y	28.8	Very low	32	Very low	206 Å²	206	145 Å²	145	81%	0.808	78%	0.776	S	S	*	*			trans	178.3	128.3	136.9	-113.4	-123.4	0	0	0	109.3
361	I	30.6	Very low	32.1	Very low	109 Å²	109	142.4 Å²	142.4	56%	0.559	77%	0.771	S	S	*	*				62	117.6	74.7	-57.2	174	0	0	0	113.8
362	P	29.5	Very low	32.4	Very low	117 Å²	117	140.2 Å²	140.2	76%	0.76	77%	0.767	S	S	*	*			trans	-100.8	135.6	-177.7	36.5	-31.7	0	0	0	114.6
363	H	31	Very low	32.1	Very low	185 Å²	185	142.1 Å²	142.1	86%	0.856	77%	0.772	S	S	*	*			trans	-153	128.7	167.3	-93.9	-82.9	0	0	0	114.3
364	A	29.8	Very low	32.3	Very low	81 Å²	81	145.2 Å²	145.2	67%	0.669	77%	0.771	S	S	*	*			trans	26.7	140.8	147.5	0	0	0	0	0	125.6
365	L	30.9	Very low	32.1	Very low	167 Å²	167	143.7 Å²	143.7	87%	0.874	77%	0.765	S	S	*	*			trans	67	154.3	150.3	-66.1	159.7	0	0	0	117.5
366	E	30	Very low	32.1	Very low	170 Å²	170	141 Å²	141	79%	0.794	76%	0.76	S	S	*	*			cis	-146.9	-136.9	20.3	-151.3	-175.5	-162.5	0	0	114.7
367	T	32.1	Very low	32.1	Very low	113 Å²	113	139.6 Å²	139.6	69%	0.693	76%	0.756	S	S	*	*			trans	-125.8	159.1	-156.2	-50.6	0	0	0	0	113.9
368	F	27.8	Very low	32.2	Very low	202 Å²	202	136.4 Å²	136.4	89%	0.886	75%	0.747	S	S	*	*			trans	-145.2	149.6	166.8	-95	-71.4	0	0	0	117.3
369	S	37.2	Very low	32.1	Very low	111 Å²	111	137.3 Å²	137.3	78%	0.776	75%	0.746	S	S	*	*			trans	-168.7	137.9	165.1	171.7	0	0	0	0	109.3
370	P	41.1	Very low	32.3	Very low	111 Å²	111	136.2 Å²	136.2	72%	0.721	74%	0.742	S	S	*	*			trans	-153.9	171	148.1	37.4	-19.4	0	0	0	116.4
371	V	36.4	Very low	32.5	Very low	144 Å²	144	133.5 Å²	133.5	87%	0.873	74%	0.742	S	S	*	*				178.1	156.7	118.5	152.5	0	0	0	0	110.2
372	S	37.4	Very low	32.4	Very low	106 Å²	106	133.9 Å²	133.9	74%	0.741	75%	0.745	S	S	*	*			trans	-153	171	-165.6	-176	0	0	0	0	113
373	L	34.7	Very low	32.6	Very low	139 Å²	139	135.8 Å²	135.8	73%	0.728	75%	0.747	S	S	*	*			trans	-161	159.9	157.6	-74.9	-170.2	0	0	0	107.6
374	F	33.8	Very low	32.5	Very low	173 Å²	173	133.6 Å²	133.6	76%	0.759	74%	0.742	S	S	*	*			cis	-157	167.3	1.9	-131.7	-21.3	0	0	0	111.9
375	S	30.5	Very low	32.6	Very low	83 Å²	83	135.5 Å²	135.5	58%	0.58	75%	0.75	S	S	*	*			trans	11	148.3	140.7	-64.3	0	0	0	0	123.3
376	T	33.2	Very low	32.3	Very low	110 Å²	110	138.7 Å²	138.7	68%	0.675	75%	0.751	S	S	*	*			cis	-173.3	150.7	4.7	21.2	0	0	0	0	113.8
377	L	30.8	Very low	32.3	Very low	147 Å²	147	138.3 Å²	138.3	77%	0.77	75%	0.752	S	S	*	*			trans	67.5	149	141.6	-65	170	0	0	0	119.7
378	L	32.6	Very low	32.2	Very low	122 Å²	122	137.6 Å²	137.6	64%	0.639	75%	0.752	S	S	*	*			cis	-159.5	142.3	-1.4	-100.6	155.5	0	0	0	110.5
379	H	30.6	Very low	32.2	Very low	168 Å²	168	133 Å²	133	78%	0.778	75%	0.745	S	S	*	*			trans	53.1	164.6	142.8	-73.7	36.9	0	0	0	120
380	C	29	Very low	32.1	Very low	96 Å²	96	135.5 Å²	135.5	65%	0.649	75%	0.749	S	S	*	*			cis	-168.5	169.4	-27.7	-98.2	0	0	0	0	106
381	N	32.7	Very low	31.4	Very low	150 Å²	150	139.5 Å²	139.5	80%	0.802	76%	0.756	S	S	*	*			cis	-149.1	-166.2	1.7	-138.2	29.8	0	0	0	110.3
382	N	29.3	Very low	31.2	Very low	117 Å²	117	140.7 Å²	140.7	63%	0.626	76%	0.756	S	S	*	*			trans	-119.1	164	169.6	-170.1	30.4	0	0	0	111.3
383	I	34.3	Very low	30.8	Very low	156 Å²	156	145.8 Å²	145.8	80%	0.8	76%	0.759	S	S	*	*			trans	-163.2	132.2	156.8	-102.1	150.8	0	0	0	110.3
384	D	28.2	Very low	30.7	Very low	139 Å²	139	144.2 Å²	144.2	74%	0.743	75%	0.751	S	S	*	*			trans	-89.7	157.9	176.4	-68.3	-91.8	0	0	0	113.2
385	S	31.4	Very low	30.6	Very low	121 Å²	121	143.5 Å²	143.5	85%	0.846	75%	0.748	S	S	*	*			trans	-159	143.9	136.6	57.3	0	0	0	0	112.3
386	R	25.7	Very low	30.6	Very low	234 Å²	234	146.5 Å²	146.5	88%	0.883	75%	0.752	S	S	*	*			trans	-93.6	163.9	172.2	-50.6	169.2	-175.3	170.4	0.1	109
387	I	30.6	Very low	30.4	Very low	162 Å²	162	148.1 Å²	148.1	83%	0.831	75%	0.752	S	S	*	*			trans	-179.1	146.9	134.1	-97.8	155.2	0	0	0	114
388	S	30	Very low	30.4	Very low	99 Å²	99	149.9 Å²	149.9	69%	0.692	76%	0.756	S	S	*	*			trans	24.6	132.3	164.6	69.7	0	0	0	0	123.6
389	S	27.9	Very low	30.1	Very low	104 Å²	104	150.7 Å²	150.7	73%	0.727	76%	0.761	S	S	*	*			trans	-64.1	157.1	149.8	53	0	0	0	0	114.2
390	N	34	Very low	30.3	Very low	164 Å²	164	148.9 Å²	148.9	88%	0.877	76%	0.762	S	S	*	*			trans	-155.7	155	142.2	-104.4	-32.8	0	0	0	112.4
391	F	26.3	Very low	30.2	Very low	196 Å²	196	151 Å²	151	86%	0.86	77%	0.766	S	S	*	*			trans	-83.3	156.2	-179.6	-91	-108	0	0	0	112.7
392	I	32.7	Very low	30.1	Very low	168 Å²	168	154.5 Å²	154.5	86%	0.862	77%	0.77	S	S	*	*				-173.9	160.6	117.6	-96.2	159.8	0	0	0	112.1
393	R	29.2	Very low	30.2	Very low	213 Å²	213	155.4 Å²	155.4	80%	0.804	78%	0.78	S	S	*	*			trans	-80.1	173.3	-177.4	-98.8	177.9	-83.5	170.7	-6.8	112.5
394	D	32.2	Very low	29.8	Very low	107 Å²	107	154.9 Å²	154.9	57%	0.572	78%	0.784	S	S	*	*			cis	-156.9	162.7	13	-136.4	-9.5	0	0	0	114.4
395	K	30.7	Very low	29.9	Very low	158 Å²	158	154 Å²	154	69%	0.687	78%	0.784	S	S	*	*			trans	70	131.6	143.4	-81	166.2	-172.8	176.4	0	126.9
396	H	31.5	Very low	29.8	Very low	146 Å²	146	152.5 Å²	152.5	68%	0.676	78%	0.779	S	S	*	*			trans	69.6	86.5	145.2	-68.1	-63.1	0	0	0	123.5
397	Q	28.8	Very low	30	Very low	143 Å²	143	152.4 Å²	152.4	67%	0.668	78%	0.781	S	S	*	*				57.1	115.1	96	-172.4	179.5	13.5	0	0	120.3
398	Q	29.8	Very low	30.1	Very low	184 Å²	184	150.4 Å²	150.4	86%	0.86	78%	0.778	S	S	*	*				-153	153.5	123.7	-112.5	173.8	15.2	0	0	110.7
399	D	28	Very low	30	Very low	140 Å²	140	150.8 Å²	150.8	75%	0.749	78%	0.781	S	S	*	*			trans	-83.2	147.7	-158.4	-57.8	-85.2	0	0	0	115.5
400	V	34.6	Very low	30.1	Very low	130 Å²	130	154.2 Å²	154.2	79%	0.788	79%	0.788	S	S	*	*			trans	-115.7	109.9	176.5	-179.8	0	0	0	0	110.4
401	N	27.2	Very low	30	Very low	139 Å²	139	154.1 Å²	154.1	74%	0.743	79%	0.786	S	S	*	*			trans	-65.3	134.1	170	-70	-62	0	0	0	111.3
402	Y	30.1	Very low	30.1	Very low	225 Å²	225	152.3 Å²	152.3	88%	0.882	79%	0.785	S	S	*	*			trans	-165.9	80.4	139.8	-87.1	-55.7	0	0	0	111.2	T404	Y402-T404 PolarHBondContact O-N 3.16Å
403	T	30.8	Very low	29.9	Very low	135 Å²	135	148.9 Å²	148.9	83%	0.828	77%	0.768	S	S	*	*			trans	-78.4	116.8	171.9	28.4	0	0	0	0	111.4
404	T	25.9	Very low	29.9	Very low	145 Å²	145	145.6 Å²	145.6	89%	0.89	76%	0.762	S	S	*	*			trans	-83.1	121.1	171.5	-65.3	0	0	0	0	109.4	Y402	Y402-T404 PolarHBondContact O-N 3.16Å
405	T	31	Very low	29.7	Very low	120 Å²	120	144.6 Å²	144.6	74%	0.736	77%	0.768	S	S	*	*			trans	-140.9	141	175.9	-48.1	0	0	0	0	110.6
406	A	29.4	Very low	29.8	Very low	91 Å²	91	142 Å²	142	75%	0.752	78%	0.776	S	S	*	*			trans	-81.1	154.3	-170.1	0	0	0	0	0	113.7
407	Y	30.1	Very low	29.7	Very low	232 Å²	232	146.1 Å²	146.1	91%	0.91	79%	0.786	S	S	*	*			trans	-116.8	115.7	166.1	-85.1	-86	0	0	0	110.3
408	P	31.5	Very low	30	Very low	119 Å²	119	148.3 Å²	148.3	77%	0.773	80%	0.796	S	S	*	*			trans	-81	149.4	160.8	33.4	-31.7	0	0	0	110.7
409	S	28.9	Very low	30	Very low	108 Å²	108	144.5 Å²	144.5	76%	0.755	79%	0.79	S	S	*	*			trans	-76.2	141.9	175	52.6	0	0	0	0	112.6
410	M	30.2	Very low	30.3	Very low	176 Å²	176	145 Å²	145	87%	0.867	79%	0.79	S	S	*	*			trans	-140.2	158.7	154.7	-102	-59.9	108.8	0	0	112.1
411	L	32	Very low	30.2	Very low	162 Å²	162	146 Å²	146	85%	0.848	79%	0.791	S	S	*	*			trans	-91.1	163.9	-164	-76.4	160.3	0	0	0	114.1
412	N	26.7	Very low	30.4	Very low	158 Å²	158	144.5 Å²	144.5	85%	0.845	79%	0.792	S	S	*	*			trans	-59.7	148.1	168.9	-71.4	-22.2	0	0	0	112
413	L	29.5	Very low	30.5	Very low	95 Å²	95	139.3 Å²	139.3	50%	0.497	78%	0.784	S	S	.	*			trans	-151.8	101.8	137.1	-160.9	64.3	0	0	0	113	D578 K579	L413-D578 WeakPolarHBondContact CD2-OD2 3.5Å; L413-K579 WeakPolarHBondContact O-CE 3.37Å; L413-K579 PolarHBondContact O-NZ 2.84Å
414	E	29.4	Very low	30.7	Very low	145 Å²	145	142.3 Å²	142.3	68%	0.678	79%	0.785	S	S	*	*			trans	56.3	140.3	132.6	-142.1	43.1	-107.1	0	0	124.8	K579	E414-K579 PolarHBondContact O-NZ 3.3Å
415	A	28.8	Very low	30.9	Very low	85 Å²	85	141.7 Å²	141.7	70%	0.702	78%	0.781	S	S	*	*			trans	57.7	115.2	155.4	0	0	0	0	0	122.5
416	A	32	Very low	31.3	Very low	103 Å²	103	140.9 Å²	140.9	85%	0.851	78%	0.778	S	S	*	*			trans	-140.3	132.6	137.3	0	0	0	0	0	110.4
417	R	28.6	Very low	31.5	Very low	233 Å²	233	146.2 Å²	146.2	88%	0.879	79%	0.785	S	S	*	*			trans	-58.1	138.7	-167.5	-56	161	175.1	166.3	-4.4	116
418	H	35.6	Very low	31.4	Very low	190 Å²	190	143.3 Å²	143.3	88%	0.88	78%	0.779	S	S	*	*				-157.1	118.2	127.6	-69.2	-57.1	0	0	0	106.3
419	S	29.3	Very low	31.6	Very low	104 Å²	104	144.9 Å²	144.9	73%	0.727	78%	0.781	S	S	*	*				70.2	88.9	56.8	-174.5	0	0	0	0	114.3
420	I	35.8	Very low	31.7	Very low	149 Å²	149	146.2 Å²	146.2	76%	0.764	78%	0.775	S	S	*	*			trans	177.6	128	136.1	-92.5	154.2	0	0	0	109.9
421	N	32	Very low	31.6	Very low	151 Å²	151	145.8 Å²	145.8	81%	0.807	77%	0.771	S	S	*	*			trans	29.7	144.2	148	-54.3	-10.7	0	0	0	121.8
422	S	30.6	Very low	31.7	Very low	109 Å²	109	142.7 Å²	142.7	76%	0.762	77%	0.769	S	S	*	*			cis	-175.1	-176.6	-9.5	-176.7	0	0	0	0	109.8
423	V	32	Very low	32	Very low	116 Å²	116	144.7 Å²	144.7	70%	0.703	77%	0.772	S	S	*	*			trans	88.4	95.4	159.2	-165.8	0	0	0	0	119.7
424	K	34.9	Very low	32.2	Very low	197 Å²	197	143.9 Å²	143.9	86%	0.857	79%	0.787	S	S	*	*			trans	81.2	151.6	141.6	-69.1	177.9	179.5	-178.1	0	122
425	T	31.4	Very low	32.2	Very low	133 Å²	133	143.7 Å²	143.7	82%	0.816	80%	0.796	S	S	*	*			trans	-159.5	-164.3	-162.9	50.3	0	0	0	0	107
426	P	38.1	Very low	32.4	Very low	103 Å²	103	146 Å²	146	67%	0.669	80%	0.8	S	S	*	*				-121	-164	-60.1	36.2	-19.6	0	0	0	110.6
427	F	33.8	Very low	32.6	Very low	203 Å²	203	147.1 Å²	147.1	89%	0.89	80%	0.797	S	S	*	*				-162.9	167.8	128.6	-111.7	-72.8	0	0	0	111.6
428	Q	29.5	Very low	32.8	Very low	170 Å²	170	141.7 Å²	141.7	79%	0.794	79%	0.792	S	S	*	*			trans	-132	179.8	-175.6	-86.6	-162.9	6.4	0	0	111.8
429	L	34.3	Very low	32.5	Very low	153 Å²	153	140.6 Å²	140.6	80%	0.801	79%	0.791	S	S	*	*			trans	99.6	153	166.5	-56.6	166.2	0	0	0	115.3
430	Q	31	Very low	32.5	Very low	135 Å²	135	146.6 Å²	146.6	63%	0.631	80%	0.798	S	S	*	*			cis	-174.3	135.8	-32.6	-179.2	68.5	9.3	0	0	106.7
431	E	28.3	Very low	32.4	Very low	168 Å²	168	146.7 Å²	146.7	79%	0.785	80%	0.798	S	S	*	*			trans	63.4	174	159.4	-82.1	163.2	-143.2	0	0	122.6
432	A	34.1	Very low	32.4	Very low	97 Å²	97	146.1 Å²	146.1	80%	0.802	80%	0.795	S	S	*	*			trans	84.3	126.9	168	0	0	0	0	0	119.7
433	H	32.6	Very low	32.7	Very low	200 Å²	200	152.1 Å²	152.1	93%	0.926	80%	0.803	S	S	*	*			trans	-77.5	148.9	-176.5	-55.1	-106.1	0	0	0	113.1
434	G	34.9	Very low	32.8	Very low	77 Å²	77	153.2 Å²	153.2	79%	0.794	80%	0.804	S	S	*	*			trans	-173.3	130.9	168.6	0	0	0	0	0	113.5
435	T	29.7	Very low	32.6	Very low	141 Å²	141	150 Å²	150	87%	0.865	80%	0.796	S	S	*	*			trans	-93.6	162.9	-179.3	-52.2	0	0	0	0	111.5
436	V	32.9	Very low	32.8	Very low	133 Å²	133	149.8 Å²	149.8	81%	0.806	80%	0.795	S	S	*	*			trans	121.4	153.1	159.4	-179.6	0	0	0	0	114.3
437	T	34.7	Very low	32.6	Very low	127 Å²	127	150.6 Å²	150.6	78%	0.779	80%	0.803	S	S	*	*			trans	-85.9	160.9	-158.1	35.9	0	0	0	0	115.5
438	P	32.5	Very low	32.7	Very low	120 Å²	120	144.9 Å²	144.9	78%	0.779	80%	0.802	S	S	*	*			trans	-90.3	150	-169	35.3	-36.3	0	0	0	114.8
439	I	30.8	Very low	32.8	Very low	166 Å²	166	140.3 Å²	140.3	85%	0.851	80%	0.8	S	S	*	*			trans	-122.7	149.9	162.1	-66.9	-179.2	0	0	0	109.1
440	R	29.6	Very low	32.7	Very low	230 Å²	230	139.9 Å²	139.9	87%	0.868	80%	0.798	S	S	*	*			trans	-111.7	117.8	-165.8	-173.6	-160.6	-145.5	-179.7	8.4	110.6
441	I	32.3	Very low	32.9	Very low	152 Å²	152	140 Å²	140	78%	0.779	80%	0.803	S	S	*	*			trans	-132.9	140.4	171.1	-59	-177.6	0	0	0	108.9
442	N	32.9	Very low	33.4	Very low	139 Å²	139	139.7 Å²	139.7	74%	0.743	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-88.3	156.4	177.8	-69.1	-12.8	0	0	0	111.1
443	Y	36.8	Very low	33.6	Very low	234 Å²	234	139 Å²	139	92%	0.918	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-80.1	138.7	174.3	-84.1	-94.2	0	0	0	113.3
444	L	33.9	Very low	33.8	Very low	140 Å²	140	135.8 Å²	135.8	73%	0.733	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-57.7	166	154.1	-84.5	57.1	0	0	0	110.4
445	D	30.6	Very low	33.9	Very low	129 Å²	129	139.1 Å²	139.1	69%	0.69	78%	0.784	S	S	*	*			cis	-161.2	161.9	-3.3	-122	-31.2	0	0	0	109.2
446	T	35.3	Very low	34.3	Very low	128 Å²	128	136.7 Å²	136.7	79%	0.785	77%	0.773	S	S	*	*				176.5	127.9	126.2	21.9	0	0	0	0	114.3
447	S	33.1	Very low	34.6	Very low	120 Å²	120	138.7 Å²	138.7	84%	0.839	77%	0.773	S	S	*	*			trans	45.3	104.5	149.7	62.8	0	0	0	0	120.2
448	G	36.6	Very low	34.5	Very low	84 Å²	84	137.3 Å²	137.3	87%	0.866	77%	0.765	S	S	*	*			trans	-167.4	111.2	158.3	0	0	0	0	0	109.6
449	G	31.8	Very low	34.7	Very low	73 Å²	73	137.6 Å²	137.6	75%	0.753	76%	0.76	S	S	*	*			trans	-97.5	-177.8	-161.1	0	0	0	0	0	117.5
450	N	33.2	Very low	34.8	Very low	145 Å²	145	135.8 Å²	135.8	78%	0.775	76%	0.757	S	S	*	*			trans	93.8	90.4	161.4	-60.3	-8.7	0	0	0	120.5
451	N	34.4	Very low	35.1	Very low	137 Å²	137	128.9 Å²	128.9	73%	0.733	75%	0.749	S	S	*	*				88.7	151.5	120.6	-55.6	-19.8	0	0	0	121.9
452	I	37.8	Very low	35.3	Very low	162 Å²	162	129.1 Å²	129.1	83%	0.831	75%	0.747	S	S	*	*			trans	76.2	130.8	164	-44.2	-174.4	0	0	0	116.4
453	S	39.1	Very low	35.4	Very low	83 Å²	83	128.7 Å²	128.7	58%	0.58	74%	0.744	S	S	*	*			cis	-176.8	155.4	-39.9	55.8	0	0	0	0	110
454	N	37.2	Very low	35.4	Very low	132 Å²	132	124.5 Å²	124.5	71%	0.706	73%	0.733	S	S	*	*			trans	71.8	117.3	157.2	-55.7	-17.1	0	0	0	116.8
455	N	37.5	Very low	35.6	Very low	146 Å²	146	124.1 Å²	124.1	78%	0.781	73%	0.731	S	S	*	*				85.7	145.6	80.1	-69	0.1	0	0	0	113.5
456	S	37.5	Very low	35.8	Very low	90 Å²	90	123.9 Å²	123.9	63%	0.629	73%	0.729	S	S	*	*			cis	-176.5	145.9	-12.7	48.8	0	0	0	0	111.2
457	Q	38	Very low	35.6	Very low	176 Å²	176	122.3 Å²	122.3	82%	0.822	72%	0.723	S	S	*	*			trans	59.5	164.5	148.7	-75.2	-172	-108.3	0	0	121.6
458	T	34.1	Very low	35.6	Very low	97 Å²	97	124 Å²	124	60%	0.595	72%	0.721	S	S	*	*			cis	-157.7	-178.3	-44.8	28.9	0	0	0	0	108.2
459	D	35.3	Very low	35.3	Very low	126 Å²	126	130.2 Å²	130.2	67%	0.674	72%	0.719	S	S	*	*			trans	80.3	114.8	155.3	-57	-55.2	0	0	0	118.4
460	T	33.3	Very low	35.2	Very low	129 Å²	129	131.1 Å²	131.1	79%	0.791	71%	0.713	S	S	*	*				84.7	135.5	52.4	68	0	0	0	0	113.8
461	A	36.2	Very low	35.4	Very low	85 Å²	85	130.7 Å²	130.7	70%	0.702	72%	0.716	S	S	*	*			cis	-130.7	-127.4	-12.1	0	0	0	0	0	110.3
462	Q	36.9	Very low	35.5	Very low	157 Å²	157	129.2 Å²	129.2	73%	0.734	71%	0.714	S	S	*	*			cis	-164.7	161.6	-0.7	-166.6	51.4	-74.9	0	0	110.6
463	N	35.7	Very low	35.3	Very low	129 Å²	129	129.4 Å²	129.4	69%	0.69	71%	0.711	S	S	*	*			trans	68.4	149.1	168.1	-64.9	-25.6	0	0	0	118
464	H	36.2	Very low	34.9	Very low	147 Å²	147	132.9 Å²	132.9	68%	0.681	72%	0.723	S	S	*	*			cis	-157.8	137.1	4.9	-139.9	-140.1	0	0	0	112.1
465	L	37.3	Very low	34.5	Very low	131 Å²	131	131.9 Å²	131.9	69%	0.686	73%	0.727	S	S	*	*			trans	51.2	149.3	151.7	-50.7	-175.5	0	0	0	121.5
466	D	34.8	Very low	34.3	Very low	124 Å²	124	130 Å²	130	66%	0.663	73%	0.732	S	S	*	*			cis	-159.1	169	-5	-128.8	-35.7	0	0	0	114.7
467	C	32.6	Very low	33.9	Very low	95 Å²	95	131.2 Å²	131.2	64%	0.642	74%	0.74	S	S	*	*			trans	17.6	138.8	158.8	-69.7	0	0	0	0	123.5
468	L	32.3	Very low	33.6	Very low	155 Å²	155	129.2 Å²	129.2	81%	0.812	74%	0.744	S	S	*	*			cis	74.4	140.1	47	-65.8	174.3	0	0	0	114.1
469	R	30.3	Very low	33.4	Very low	215 Å²	215	131.7 Å²	131.7	81%	0.811	75%	0.753	S	S	*	*			cis	-172.9	145	-7.4	-169.4	-160.5	-173.6	169.5	-0.2	110.9
470	S	30.1	Very low	33.2	Very low	92 Å²	92	137.6 Å²	137.6	64%	0.643	77%	0.766	S	S	*	*			trans	44	140.8	149.9	62.9	0	0	0	0	124.7
471	V	36.2	Very low	32.8	Very low	137 Å²	137	138.6 Å²	138.6	83%	0.83	77%	0.766	S	S	*	*				156.6	149.4	124.1	160.3	0	0	0	0	111.4
472	P	37.4	Very low	32.5	Very low	105 Å²	105	141 Å²	141	68%	0.682	78%	0.776	S	S	*	*			trans	-125.5	-172	-167.6	39.9	-22.2	0	0	0	116.8
473	Q	33.5	Very low	32	Very low	167 Å²	167	142 Å²	142	78%	0.78	78%	0.78	S	S	*	*			trans	79.5	116.3	167.2	-59.6	-178.5	-12.2	0	0	119.3
474	N	31.2	Very low	31.8	Very low	155 Å²	155	140.7 Å²	140.7	83%	0.829	78%	0.782	S	S	*	*				-179	174.4	97.3	-99.2	-45.8	0	0	0	114.2
475	S	28.5	Very low	31.6	Very low	112 Å²	112	141.2 Å²	141.2	78%	0.783	79%	0.789	S	S	*	*			trans	-98.6	150.9	-172.6	55.6	0	0	0	0	115.3
476	A	34	Very low	31.1	Very low	107 Å²	107	142.5 Å²	142.5	88%	0.884	80%	0.797	S	S	*	*			trans	-157.4	155.6	149.9	0	0	0	0	0	111.2
477	S	28.1	Very low	31	Very low	115 Å²	115	142.4 Å²	142.4	80%	0.804	81%	0.806	S	S	*	*			trans	-111.8	161.4	179.3	53.1	0	0	0	0	112
478	C	32.1	Very low	30.7	Very low	133 Å²	133	143.6 Å²	143.6	90%	0.899	82%	0.815	S	S	*	*			trans	-162	119.2	159.2	-138.5	0	0	0	0	112.1
479	D	29.2	Very low	30.6	Very low	149 Å²	149	142 Å²	142	80%	0.797	82%	0.817	S	S	*	*			trans	-87.5	152.5	170.8	-66.5	-73.9	0	0	0	112
480	R	30.8	Very low	30.4	Very low	251 Å²	251	137 Å²	137	95%	0.947	82%	0.815	S	S	*	*			trans	-164.4	148.7	135.9	-114.3	171.8	-169	-140.5	-0.5	115.4
481	L	25.7	Very low	30.6	Very low	150 Å²	150	141.2 Å²	141.2	79%	0.785	83%	0.83	S	S	*	*			trans	-66.4	155.7	172.8	-84.6	59.8	0	0	0	112.7
482	C	30.4	Very low	30.1	Very low	134 Å²	134	142.8 Å²	142.8	91%	0.905	83%	0.832	S	S	*	*				-156.3	146.3	118.9	-122.7	0	0	0	0	111.7
483	Q	26.3	Very low	29.6	Very low	178 Å²	178	142.8 Å²	142.8	83%	0.832	84%	0.835	S	S	*	*			trans	-110.4	147.6	174.8	-62.9	169.8	-18.9	0	0	109.5
484	S	31.9	Very low	29.3	Very low	103 Å²	103	139.4 Å²	139.4	72%	0.72	83%	0.83	S	S	*	*			trans	-168.5	108.7	149.9	58.4	0	0	0	0	113.8
485	N	31.2	Very low	29.3	Very low	157 Å²	157	141.3 Å²	141.3	84%	0.84	83%	0.831	S	S	*	*			trans	57.2	136.5	130.5	-53	-1.6	0	0	0	122.4
486	D	26.5	Very low	29.3	Very low	158 Å²	158	142.7 Å²	142.7	85%	0.845	83%	0.829	S	S	*	*			trans	-65.1	155.7	162.6	-46.4	-96.6	0	0	0	113.5
487	S	31.8	Very low	29.1	Very low	122 Å²	122	149.1 Å²	149.1	85%	0.853	83%	0.832	S	S	*	*				-172.8	151.4	129.1	31.3	0	0	0	0	112
488	S	26.3	Very low	28.9	Very low	120 Å²	120	147.9 Å²	147.9	84%	0.839	82%	0.823	S	S	*	*			trans	-84.2	141.5	179.7	49.2	0	0	0	0	112.4
489	S	31.4	Very low	28.6	Very low	122 Å²	122	148.6 Å²	148.6	85%	0.853	82%	0.818	S	S	*	*			trans	-149.1	144.5	152.4	55.9	0	0	0	0	110.6
490	S	25.8	Very low	28.5	Very low	110 Å²	110	150.5 Å²	150.5	77%	0.769	83%	0.825	S	S	*	*			trans	-102.7	141.1	179.6	47.6	0	0	0	0	110.4
491	L	33.3	Very low	28.2	Very low	180 Å²	180	144.9 Å²	144.9	94%	0.942	82%	0.819	S	S	*	*			trans	-135	128.4	157.5	-77.4	-179.6	0	0	0	110.1
492	L	26.3	Very low	28.5	Very low	170 Å²	170	143.6 Å²	143.6	89%	0.89	82%	0.822	S	S	*	*			trans	-81.4	143.5	173.2	-71.1	155.8	0	0	0	109.5
493	S	27.8	Very low	28.3	Very low	105 Å²	105	145.4 Å²	145.4	73%	0.734	82%	0.817	S	S	*	*			trans	-138.8	92.7	157.4	-165.7	0	0	0	0	108.9
494	S	25.9	Very low	28.6	Very low	97 Å²	97	145 Å²	145	68%	0.678	82%	0.82	S	S	*	*			trans	-92.4	119.4	179	50.4	0	0	0	0	110.4
495	F	31.7	Very low	28.3	Very low	195 Å²	195	146.4 Å²	146.4	86%	0.855	82%	0.819	S	S	*	*			trans	-100.8	114.2	165.2	-79.9	-79.8	0	0	0	109.8
496	L	28.1	Very low	28.2	Very low	141 Å²	141	144.4 Å²	144.4	74%	0.738	82%	0.815	S	S	*	*			trans	-86.2	141.6	174.6	-66.9	166.8	0	0	0	109.9
497	Y	29.5	Very low	28.4	Very low	242 Å²	242	143.8 Å²	143.8	95%	0.949	82%	0.817	S	S	*	*			trans	-135.6	124.9	153.1	-106.1	-82.6	0	0	0	108.1
498	S	25.1	Very low	28.2	Very low	88 Å²	88	147.1 Å²	147.1	62%	0.615	82%	0.816	S	S	*	*			trans	-126.4	151.2	-173.4	-59.8	0	0	0	0	111.1
499	N	25.6	Very low	28.3	Very low	149 Å²	149	149.6 Å²	149.6	80%	0.797	82%	0.819	S	S	*	*			trans	61.3	111.9	161.9	-58.9	-4.8	0	0	0	118.4
500	M	27.5	Very low	28.1	Very low	189 Å²	189	150.1 Å²	150.1	93%	0.931	81%	0.812	S	S	*	*			trans	-148.1	126.1	131.2	-94.1	-60.3	175.7	0	0	108.3
501	T	25.1	Very low	28.4	Very low	133 Å²	133	151.2 Å²	151.2	82%	0.816	81%	0.808	S	S	*	*			trans	-143.8	131.2	-178.6	50	0	0	0	0	110.4
502	S	31.7	Very low	28.3	Very low	122 Å²	122	148.9 Å²	148.9	85%	0.853	80%	0.797	S	S	*	*			trans	-158.2	128.5	169.8	55.2	0	0	0	0	110.4
503	E	25.5	Very low	28.4	Very low	173 Å²	173	148.2 Å²	148.2	81%	0.808	79%	0.789	S	S	*	*			trans	-81.9	172.8	175.2	-55.3	-171.1	140.5	0	0	112.5
504	L	32.7	Very low	28.6	Very low	169 Å²	169	146.9 Å²	146.9	89%	0.885	79%	0.792	S	S	*	*				-164.5	160.9	127.5	-105.6	166.2	0	0	0	113
505	N	26.3	Very low	28.7	Very low	132 Å²	132	150 Å²	150	71%	0.706	79%	0.793	S	S	*	*			trans	-84.2	158.4	-159.7	-81	-72.8	0	0	0	116.9
506	P	28.2	Very low	28.5	Very low	116 Å²	116	147.8 Å²	147.8	75%	0.753	80%	0.796	S	S	*	*			trans	-91.9	168	165.9	38	-34.5	0	0	0	113.1
507	T	30.7	Very low	28.4	Very low	144 Å²	144	149 Å²	149	88%	0.883	80%	0.803	S	S	*	*			trans	-141.5	146.4	174.7	-44.8	0	0	0	0	112.3
508	K	27.5	Very low	28.3	Very low	192 Å²	192	144.3 Å²	144.3	84%	0.835	80%	0.799	S	S	*	*			trans	-85.5	156.8	-174.6	-59	172.4	179.7	173.6	0	112.9
509	L	28.6	Very low	28.3	Very low	172 Å²	172	148.9 Å²	148.9	90%	0.901	81%	0.811	S	S	*	*				-153	174	128	-110.8	160.8	0	0	0	110.7
510	N	27.4	Very low	28.5	Very low	134 Å²	134	147.5 Å²	147.5	72%	0.717	81%	0.81	S	S	*	*			trans	-149.7	172.7	-147	-171.7	22.9	0	0	0	112.4
511	I	32.8	Very low	28.4	Very low	132 Å²	132	142.3 Å²	142.3	68%	0.677	81%	0.805	S	S	*	*			trans	139.6	113.9	144.5	-71.9	158.9	0	0	0	114.5
512	N	29.8	Very low	28.5	Very low	132 Å²	132	146.8 Å²	146.8	71%	0.706	81%	0.808	S	S	*	*			trans	40.8	125	141.5	-52.4	-2.1	0	0	0	120.9
513	E	28.8	Very low	28.5	Very low	155 Å²	155	145.9 Å²	145.9	72%	0.724	80%	0.802	S	S	*	*				88	125.9	55.5	-94.4	-128.7	-165.9	0	0	115.7	K515	E513-K515 IonicContact OE1-NZ 2.61Å; E513-K515 PolarHBondContact OE1-NZ 3.27Å; E513-K515 IonicContact OE2-NZ 2.93Å; E513-K515 PolarHBondContact OE2-NZ 2.88Å
514	G	32.2	Very low	28.5	Very low	78 Å²	78	147.3 Å²	147.3	80%	0.804	81%	0.806	S	S	*	*			trans	-175.7	121.7	170.4	0	0	0	0	0	110.6
515	K	27.5	Very low	28.5	Very low	163 Å²	163	150.3 Å²	150.3	71%	0.709	81%	0.805	S	S	*	*			trans	-114.8	140.6	-165.9	-62.8	178.8	170.3	93.7	0	113.2	E513	E513-K515 IonicContact OE1-NZ 2.61Å; E513-K515 PolarHBondContact OE1-NZ 3.27Å; E513-K515 IonicContact OE2-NZ 2.93Å; E513-K515 PolarHBondContact OE2-NZ 2.88Å
516	T	29	Very low	28.8	Very low	147 Å²	147	153.1 Å²	153.1	90%	0.902	81%	0.814	S	S	*	*			trans	-144.3	146.5	156.3	46.7	0	0	0	0	111.5
517	N	24.3	Very low	28.9	Very low	166 Å²	166	157 Å²	157	89%	0.888	82%	0.822	S	S	*	*			trans	-96	139.2	-176	-82.5	-39.8	0	0	0	112.9
518	V	27.6	Very low	29.3	Very low	145 Å²	145	157.6 Å²	157.6	88%	0.879	81%	0.813	S	S	*	*			trans	-149.3	140.3	150.9	-170.8	0	0	0	0	109.7
519	Q	25.2	Very low	29.8	Very low	183 Å²	183	152.1 Å²	152.1	86%	0.855	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-90.7	147.3	171.3	-75.5	-173.5	-13.6	0	0	112.7
520	P	29.6	Very low	30.3	Very low	121 Å²	121	152.6 Å²	152.6	79%	0.786	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-91.4	142.9	160.5	34.9	-30.1	0	0	0	112.1
521	G	26.8	Very low	31	Very low	79 Å²	79	155.2 Å²	155.2	81%	0.814	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-90.5	164	-176.8	0	0	0	0	0	115.6
522	Y	26.6	Very low	31.7	Very low	227 Å²	227	155.9 Å²	155.9	89%	0.89	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-84.7	148.9	179.4	-83.9	-107.1	0	0	0	113.5
523	S	30.4	Very low	32.8	Very low	104 Å²	104	156.2 Å²	156.2	73%	0.727	78%	0.776	S	S	*	*			trans	-133.5	97.2	162.2	63.7	0	0	0	0	111.9
524	K	27.2	Very low	34.1	Very low	202 Å²	202	156.4 Å²	156.4	88%	0.878	77%	0.771	S	S	*	*			trans	22.7	106.5	155	-164.2	178.1	-175	-176.1	0	118
525	W	31.9	Very low	35.1	Very low	232 Å²	232	157.2 Å²	157.2	88%	0.879	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-86.3	150.8	164.5	-64.6	96.4	0	0	0	111.4
526	E	32.1	Very low	36.7	Very low	191 Å²	191	152.4 Å²	152.4	89%	0.893	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-86.3	153.7	169.5	-68.3	-175.2	129.5	0	0	111.3
527	E	29.9	Very low	38.4	Very low	197 Å²	197	150.3 Å²	150.3	92%	0.921	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-79.1	128.8	-169.4	-163.7	169.2	-175.8	0	0	112	D529	E527-D529 PolarHBondContact O-N 3.07Å
528	F	39.8	Very low	40.2	Very low	158 Å²	158	144.4 Å²	144.4	69%	0.693	70%	0.701	S	S	*	*			trans	-85.4	95.6	-167.5	-166	-89.3	0	0	0	111.8	Y530	F528-Y530 HydrophobicContact CD1-CD2 4.28Å; F528-Y530 HydrophobicContact CD1-CE2 4.26Å; F528-Y530 WeakPolarHBondContact O-CD2 3.49Å; F528-Y530 PolarHBondContact O-N 3.03Å
529	D	38.8	Very low	42	Very low	77 Å²	77	142.2 Å²	142.2	41%	0.412	69%	0.688	S	S	.	*			trans	-69.7	97	-177.5	-179.6	26.7	0	0	0	113.5	E527 R531 H532	E527-D529 PolarHBondContact O-N 3.07Å; D529-R531 PolarHBondContact O-N 3.08Å; D529-R531 VanDerWaalsContact O-N 3.08Å; D529-R531 WeakPolarHBondContact OD1-CB 3.42Å; D529-R531 VanDerWaalsContact OD1-CD 3.3Å; D529-R531 WeakPolarHBondContact OD1-CD 3.21Å; D529-R531 WeakPolarHBondContact OD1-CG 3.46Å; D529-R531 PolarHBondContact OD1-N 3.19Å; D529-R531 IonicContact OD1-NE 2.86Å; D529-H532 PolarHBondContact O-N 3.48Å; D529-H532 IonicContact OD2-ND1 2.72Å
530	Y	38.3	Very low	44.1	Very low	181 Å²	181	139.3 Å²	139.3	71%	0.71	67%	0.673	S	S	*	*	H	α-helix	trans	-53.2	-25	173.4	-88.6	-99.3	0	0	0	114.3	F528 H532 Y533 Y534	F528-Y530 HydrophobicContact CD1-CD2 4.28Å; F528-Y530 HydrophobicContact CD1-CE2 4.26Å; F528-Y530 WeakPolarHBondContact O-CD2 3.49Å; F528-Y530 PolarHBondContact O-N 3.03Å; Y530-H532 VanDerWaalsContact C-N 3.32Å; Y530-H532 PolarHBondContact O-N 2.94Å; Y530-Y533 PolarHBondContact O-N 3.37Å; Y530-Y534 PolarHBondContact O-N 2.98Å
531	R	42.5	Very low	45.7	Very low	190 Å²	190	136.9 Å²	136.9	72%	0.717	65%	0.653	S	S	*	*	H	α-helix	trans	-64.7	-37.2	-177	-56	165.8	-159.7	-151.4	3.2	111.5	D529 Y534 N535	D529-R531 PolarHBondContact O-N 3.08Å; D529-R531 VanDerWaalsContact O-N 3.08Å; D529-R531 WeakPolarHBondContact OD1-CB 3.42Å; D529-R531 VanDerWaalsContact OD1-CD 3.3Å; D529-R531 WeakPolarHBondContact OD1-CD 3.21Å; D529-R531 WeakPolarHBondContact OD1-CG 3.46Å; D529-R531 PolarHBondContact OD1-N 3.19Å; D529-R531 IonicContact OD1-NE 2.86Å; R531-Y534 PolarHBondContact O-N 3.21Å; R531-N535 WeakPolarHBondContact O-CB 3.42Å; R531-N535 VanDerWaalsContact O-CG 3.24Å; R531-N535 PolarHBondContact O-N 2.72Å; R531-N535 PolarHBondContact O-ND2 2.95Å
532	H	46.9	Very low	47.2	Very low	145 Å²	145	135.8 Å²	135.8	67%	0.671	63%	0.633	S	S	*	*	H	α-helix	trans	-64.2	-41.9	176.1	-103.2	88	0	0	0	112.4	D529 Y530 A536	D529-H532 PolarHBondContact O-N 3.48Å; D529-H532 IonicContact OD2-ND1 2.72Å; Y530-H532 VanDerWaalsContact C-N 3.32Å; Y530-H532 PolarHBondContact O-N 2.94Å; H532-A536 WeakPolarHBondContact O-CB 3.15Å; H532-A536 PolarHBondContact O-N 3.41Å; H532-A536 VanDerWaalsContact O-N 3.08Å
533	Y	52.5	Low	48.6	Very low	139 Å²	139	126.8 Å²	126.8	55%	0.545	61%	0.609	S	S	.	*	H	α-helix	trans	-66.4	-44.7	177.2	-173.9	-95	0	0	0	111.6	Y530 N535 A536 F537	Y530-Y533 PolarHBondContact O-N 3.37Å; Y533-N535 PolarHBondContact O-N 2.83Å; Y533-A536 PolarHBondContact O-N 3.12Å; Y533-F537 WeakPolarHBondContact O-CB 3.02Å; Y533-F537 PolarHBondContact O-N 3.33Å
534	Y	57.2	Low	50	Low	159 Å²	159	127.3 Å²	127.3	62%	0.624	60%	0.601	S	S	*	*	H	α-helix	trans	-59.7	-46.2	177	-174.4	-95.2	0	0	0	112.2	Y530 R531 A536 F537 A538	Y530-Y534 PolarHBondContact O-N 2.98Å; R531-Y534 PolarHBondContact O-N 3.21Å; Y534-A536 PolarHBondContact O-N 3.02Å; Y534-F537 PolarHBondContact O-N 3.45Å; Y534-A538 WeakPolarHBondContact O-CB 3.15Å; Y534-A538 PolarHBondContact O-N 3.4Å
535	N	53.7	Low	51.1	Low	95 Å²	95	123.6 Å²	123.6	51%	0.508	59%	0.59	S	S	.	*	H	α-helix	trans	-65.1	-38.7	178.9	-71.3	-16.8	0	0	0	112.4	R531 Y533 T539	R531-N535 WeakPolarHBondContact O-CB 3.42Å; R531-N535 VanDerWaalsContact O-CG 3.24Å; R531-N535 PolarHBondContact O-N 2.72Å; R531-N535 PolarHBondContact O-ND2 2.95Å; Y533-N535 PolarHBondContact O-N 2.83Å; N535-T539 WeakPolarHBondContact O-CB 2.89Å; N535-T539 PolarHBondContact O-N 2.98Å; N535-T539 PolarHBondContact O-OG1 3.37Å
536	A	60.7	Low	51.9	Low	63 Å²	63	118.6 Å²	118.6	52%	0.521	58%	0.581	S	S	.	*	H	α-helix	trans	-64.5	-43.3	174.6	0	0	0	0	0	111.8	H532 Y533 Y534 T539 F540	H532-A536 WeakPolarHBondContact O-CB 3.15Å; H532-A536 PolarHBondContact O-N 3.41Å; H532-A536 VanDerWaalsContact O-N 3.08Å; Y533-A536 PolarHBondContact O-N 3.12Å; Y534-A536 PolarHBondContact O-N 3.02Å; A536-T539 PolarHBondContact O-N 2.86Å; A536-F540 PolarHBondContact O-N 3.19Å
537	F	63.9	Low	52.4	Low	103 Å²	103	117.8 Å²	117.8	45%	0.452	58%	0.579	S	S	.	*	H	α-helix	trans	-67.1	-43.4	178.4	-175.4	-107.6	0	0	0	112.7	Y533 Y534 T539 F540 L541	Y533-F537 WeakPolarHBondContact O-CB 3.02Å; Y533-F537 PolarHBondContact O-N 3.33Å; Y534-F537 PolarHBondContact O-N 3.45Å; F537-T539 VanDerWaalsContact C-N 3.33Å; F537-T539 PolarHBondContact O-N 3.2Å; F537-F540 WeakPolarHBondContact O-CB 3.27Å; F537-F540 PolarHBondContact O-N 3.12Å; F537-L541 HydrophobicContact CD1-CD1 4.07Å; F537-L541 HydrophobicContact CE1-CD1 3.55Å; F537-L541 HydrophobicContact CE1-CG 4.24Å; F537-L541 HydrophobicContact CZ-CD1 3.93Å; F537-L541 HydrophobicContact CZ-CD2 4.44Å; F537-L541 HydrophobicContact CZ-CG 4.28Å; F537-L541 PolarHBondContact O-N 3.18Å
538	A	62.4	Low	52.9	Low	41 Å²	41	110.9 Å²	110.9	34%	0.339	55%	0.553	S	S	.	*	H	α-helix	trans	-61.8	-40.3	174.1	0	0	0	0	0	112	Y534 F540 L541 S542	Y534-A538 WeakPolarHBondContact O-CB 3.15Å; Y534-A538 PolarHBondContact O-N 3.4Å; A538-F540 VanDerWaalsContact C-N 3.35Å; A538-L541 PolarHBondContact O-N 3.48Å; A538-S542 WeakPolarHBondContact O-CB 3.49Å; A538-S542 PolarHBondContact O-N 3.09Å
539	T	64.5	Low	52.6	Low	100 Å²	100	107.1 Å²	107.1	61%	0.613	56%	0.558	S	S	*	*	H	α-helix	trans	-63.9	-39.6	174.7	-55.6	0	0	0	0	111.6	N535 A536 F537 S542 G543	N535-T539 WeakPolarHBondContact O-CB 2.89Å; N535-T539 PolarHBondContact O-N 2.98Å; N535-T539 PolarHBondContact O-OG1 3.37Å; A536-T539 PolarHBondContact O-N 2.86Å; F537-T539 VanDerWaalsContact C-N 3.33Å; F537-T539 PolarHBondContact O-N 3.2Å; T539-S542 PolarHBondContact O-N 3.36Å; T539-G543 PolarHBondContact O-N 2.85Å
540	F	69.5	Low	52.3	Low	121 Å²	121	109.8 Å²	109.8	53%	0.531	57%	0.571	S	S	.	*	H	α-helix	trans	-63.2	-46.2	175.1	172.3	-97.2	0	0	0	112.4	A536 F537 A538 G543 M544	A536-F540 PolarHBondContact O-N 3.19Å; F537-F540 WeakPolarHBondContact O-CB 3.27Å; F537-F540 PolarHBondContact O-N 3.12Å; A538-F540 VanDerWaalsContact C-N 3.35Å; F540-G543 PolarHBondContact O-N 3.35Å; F540-M544 HydrophobicContact CE1-CG 4.47Å; F540-M544 HydrophobicContact CE1-SD 3.67Å; F540-M544 HydrophobicContact CZ-CG 4.36Å; F540-M544 HydrophobicContact CZ-SD 3.75Å; F540-M544 PolarHBondContact O-N 3.06Å
541	L	64.7	Low	51.8	Low	70 Å²	70	108.3 Å²	108.3	37%	0.366	58%	0.575	S	S	.	*	H	α-helix	trans	-64.5	-41.7	176.4	-68.7	-179.9	0	0	0	112.3	F537 A538 G543 M544 L545	F537-L541 HydrophobicContact CD1-CD1 4.07Å; F537-L541 HydrophobicContact CE1-CD1 3.55Å; F537-L541 HydrophobicContact CE1-CG 4.24Å; F537-L541 HydrophobicContact CZ-CD1 3.93Å; F537-L541 HydrophobicContact CZ-CD2 4.44Å; F537-L541 HydrophobicContact CZ-CG 4.28Å; F537-L541 PolarHBondContact O-N 3.18Å; A538-L541 PolarHBondContact O-N 3.48Å; L541-G543 VanDerWaalsContact C-N 3.31Å; L541-G543 PolarHBondContact O-N 3.22Å; L541-M544 PolarHBondContact O-N 2.99Å; L541-L545 WeakPolarHBondContact O-CG 3.41Å; L541-L545 PolarHBondContact O-N 3.25Å
542	S	58.4	Low	51.3	Low	57 Å²	57	103.9 Å²	103.9	40%	0.399	57%	0.574	S	S	.	*	H	α-helix	trans	-62	-38.9	173	-176.9	0	0	0	0	111.8	A538 T539 M544 L545 N546	A538-S542 WeakPolarHBondContact O-CB 3.49Å; A538-S542 PolarHBondContact O-N 3.09Å; T539-S542 PolarHBondContact O-N 3.36Å; S542-M544 PolarHBondContact O-N 3.23Å; S542-L545 PolarHBondContact O-N 3.46Å; S542-N546 WeakPolarHBondContact O-CB 3.2Å; S542-N546 VanDerWaalsContact O-CG 3.25Å; S542-N546 PolarHBondContact O-N 2.99Å; S542-N546 PolarHBondContact O-ND2 3.26Å
543	G	55.7	Low	50.3	Low	38 Å²	38	104.6 Å²	104.6	39%	0.392	58%	0.582	S	S	.	*	H	α-helix	trans	-62.3	-37.3	173	0	0	0	0	0	113.7	T539 F540 L541 M547	T539-G543 PolarHBondContact O-N 2.85Å; F540-G543 PolarHBondContact O-N 3.35Å; L541-G543 VanDerWaalsContact C-N 3.31Å; L541-G543 PolarHBondContact O-N 3.22Å; G543-M547 WeakPolarHBondContact O-CG 3.02Å; G543-M547 PolarHBondContact O-N 2.94Å
544	M	60.1	Low	49.1	Very low	115 Å²	115	103.3 Å²	103.3	57%	0.567	59%	0.593	S	S	*	*	H	α-helix	trans	-67.4	-47.4	172.1	-80.3	-175	56.8	0	0	112.1	F540 L541 S542 N546 M547 S548	F540-M544 HydrophobicContact CE1-CG 4.47Å; F540-M544 HydrophobicContact CE1-SD 3.67Å; F540-M544 HydrophobicContact CZ-CG 4.36Å; F540-M544 HydrophobicContact CZ-SD 3.75Å; F540-M544 PolarHBondContact O-N 3.06Å; L541-M544 PolarHBondContact O-N 2.99Å; S542-M544 PolarHBondContact O-N 3.23Å; M544-N546 VanDerWaalsContact C-N 3.33Å; M544-N546 PolarHBondContact O-N 2.81Å; M544-M547 PolarHBondContact O-N 3.38Å; M544-S548 PolarHBondContact O-N 3.47Å
545	L	50.2	Low	47.8	Very low	123 Å²	123	103.4 Å²	103.4	64%	0.644	60%	0.603	S	S	*	*	H	α-helix	trans	-63.5	-37.5	-179.1	-71	166.9	0	0	0	112.2	L541 S542 M547 S548	L541-L545 WeakPolarHBondContact O-CG 3.41Å; L541-L545 PolarHBondContact O-N 3.25Å; S542-L545 PolarHBondContact O-N 3.46Å; L545-M547 VanDerWaalsContact C-N 3.26Å; L545-M547 PolarHBondContact O-N 3.37Å; L545-S548 PolarHBondContact O-N 3.46Å; L545-S548 PolarHBondContact O-OG 3.11Å
546	N	47.5	Very low	46.5	Very low	128 Å²	128	102.7 Å²	102.7	68%	0.684	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.5	-11.8	175.3	-68.1	-23.8	0	0	0	113.8	S542 M544	S542-N546 WeakPolarHBondContact O-CB 3.2Å; S542-N546 VanDerWaalsContact O-CG 3.25Å; S542-N546 PolarHBondContact O-N 2.99Å; S542-N546 PolarHBondContact O-ND2 3.26Å; M544-N546 VanDerWaalsContact C-N 3.33Å; M544-N546 PolarHBondContact O-N 2.81Å
547	M	42.8	Very low	45	Very low	173 Å²	173	105.1 Å²	105.1	85%	0.852	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	-19.7	172.6	-74.5	-76.7	174	0	0	112.6	G543 M544 L545	G543-M547 WeakPolarHBondContact O-CG 3.02Å; G543-M547 PolarHBondContact O-N 2.94Å; M544-M547 PolarHBondContact O-N 3.38Å; L545-M547 VanDerWaalsContact C-N 3.26Å; L545-M547 PolarHBondContact O-N 3.37Å
548	S	41.2	Very low	43.5	Very low	53 Å²	53	110.5 Å²	110.5	37%	0.371	65%	0.65	S	S	.	*	S	Bend	trans	-80	114.4	159.9	49.9	0	0	0	0	109.5	M544 L545 I550	M544-S548 PolarHBondContact O-N 3.47Å; L545-S548 PolarHBondContact O-N 3.46Å; L545-S548 PolarHBondContact O-OG 3.11Å; S548-I550 PolarHBondContact O-N 2.85Å
549	G	33.3	Very low	41.9	Very low	78 Å²	78	117.8 Å²	117.8	80%	0.804	67%	0.674	S	S	*	*			trans	-71.6	45.8	-173.4	0	0	0	0	0	116.2	N551	G549-N551 PolarHBondContact O-N 2.86Å
550	I	32.7	Very low	40.2	Very low	133 Å²	133	120.9 Å²	120.9	68%	0.682	69%	0.686	S	S	*	*			trans	-83.1	79.1	-178.6	-52	179.1	0	0	0	109.3	S548 S552	S548-I550 PolarHBondContact O-N 2.85Å; I550-S552 PolarHBondContact O-N 2.82Å
551	N	27.5	Very low	38.3	Very low	150 Å²	150	120.7 Å²	120.7	80%	0.802	69%	0.69	S	S	*	*			trans	-72.2	71.7	172.1	-81.9	-23.4	0	0	0	111.4	G549 N553	G549-N551 PolarHBondContact O-N 2.86Å; N551-N553 VanDerWaalsContact C-N 3.26Å; N551-N553 PolarHBondContact O-N 3.18Å
552	S	31.3	Very low	36.6	Very low	98 Å²	98	125.1 Å²	125.1	69%	0.685	71%	0.709	S	S	*	*			trans	-79.7	67.1	176.6	63.3	0	0	0	0	112.4	I550 C554	I550-S552 PolarHBondContact O-N 2.82Å; S552-C554 PolarHBondContact O-N 2.95Å
553	N	26.9	Very low	35.3	Very low	159 Å²	159	128.7 Å²	128.7	85%	0.85	73%	0.729	S	S	*	*			trans	-71.2	71	170.6	-84.4	-14.8	0	0	0	111.3	N551	N551-N553 VanDerWaalsContact C-N 3.26Å; N551-N553 PolarHBondContact O-N 3.18Å
554	C	26	Very low	33.8	Very low	113 Å²	113	132.6 Å²	132.6	76%	0.764	75%	0.745	S	S	*	*			trans	-156	92.8	176.1	-111.7	0	0	0	0	113.3	S552	S552-C554 PolarHBondContact O-N 2.95Å
555	L	30.1	Very low	32.3	Very low	160 Å²	160	133.3 Å²	133.3	84%	0.838	76%	0.76	S	S	*	*				-172.8	99.5	123.2	-124.6	70.2	0	0	0	111.1
556	G	27.6	Very low	31.1	Very low	80 Å²	80	133.1 Å²	133.1	83%	0.825	76%	0.764	S	S	*	*			trans	-103.1	123.7	163	0	0	0	0	0	109.4
557	T	28.5	Very low	30.1	Very low	115 Å²	115	133.3 Å²	133.3	71%	0.706	77%	0.765	S	S	*	*			trans	-124.1	97	-179.9	48.5	0	0	0	0	112.2
558	K	32.7	Very low	29.4	Very low	215 Å²	215	131.2 Å²	131.2	94%	0.935	76%	0.757	S	S	*	*			trans	-165	144.3	149.3	-105.8	146.6	-170.6	177.1	0	111.5
559	K	28.3	Very low	28.7	Very low	194 Å²	194	135.8 Å²	135.8	84%	0.843	78%	0.778	S	S	*	*			trans	-51.3	142.2	-174.8	-55.8	172.2	175.6	-177.7	0	113.7
560	L	30.3	Very low	28.5	Very low	166 Å²	166	142.3 Å²	142.3	87%	0.869	78%	0.784	S	S	*	*				-162	169.8	105.1	-108.5	153.5	0	0	0	111.5
561	N	29.5	Very low	28.2	Very low	116 Å²	116	146.7 Å²	146.7	62%	0.62	79%	0.792	S	S	*	*			trans	-83.6	172	-161.3	-56.4	13.4	0	0	0	114.1
562	E	27	Very low	28.2	Very low	163 Å²	163	146.6 Å²	146.6	76%	0.762	79%	0.792	S	S	*	*			trans	36.1	135.3	134.7	-62.7	160.3	129.3	0	0	119.2
563	T	31.2	Very low	28	Very low	132 Å²	132	149.3 Å²	149.3	81%	0.81	80%	0.797	S	S	*	*			cis	-152.6	164	27.3	-35.4	0	0	0	0	112.5
564	T	24.9	Very low	28.1	Very low	121 Å²	121	148.1 Å²	148.1	74%	0.742	79%	0.79	S	S	*	*			trans	-45.6	135.2	169.4	-45.7	0	0	0	0	115.7
565	C	28.2	Very low	28.2	Very low	130 Å²	130	147.7 Å²	147.7	88%	0.878	79%	0.788	S	S	*	*			trans	-161.8	165.5	138.2	-101.3	0	0	0	0	111.5
566	V	26.1	Very low	28	Very low	118 Å²	118	144.8 Å²	144.8	72%	0.715	78%	0.782	S	S	*	*			trans	-140.7	158.1	-160.9	162.9	0	0	0	0	111
567	N	26.8	Very low	28.1	Very low	133 Å²	133	151.9 Å²	151.9	71%	0.711	79%	0.79	S	S	*	*			trans	77.9	115.5	172.6	-73.2	4.5	0	0	0	120.1
568	D	27.5	Very low	28.1	Very low	129 Å²	129	151.3 Å²	151.3	69%	0.69	78%	0.783	S	S	*	*				67.7	148.2	122.6	-57.2	-32	0	0	0	123.6
569	N	26.9	Very low	28	Very low	149 Å²	149	147 Å²	147	80%	0.797	76%	0.764	S	S	*	*			trans	64.7	98.6	170.3	-56.7	-62.4	0	0	0	116.3
570	F	29.3	Very low	28	Very low	215 Å²	215	146 Å²	146	94%	0.943	77%	0.765	S	S	*	*				-149.8	122.1	114.5	-106.1	-70.8	0	0	0	111.9
571	R	25.5	Very low	28	Very low	225 Å²	225	146.1 Å²	146.1	85%	0.849	76%	0.758	S	S	*	*			trans	-74	158.9	161.3	-92.9	-176.4	173.1	-179.6	-1.1	109.4
572	N	26.6	Very low	28	Very low	148 Å²	148	152 Å²	152	79%	0.791	77%	0.772	S	S	*	*			trans	65.1	112.1	178.5	-58.8	-17.9	0	0	0	114.7
573	I	28.7	Very low	28.2	Very low	154 Å²	154	149.1 Å²	149.1	79%	0.79	76%	0.762	S	S	*	*				-163.1	127.5	115.4	-97.9	151.5	0	0	0	108.6
574	N	28.8	Very low	28	Very low	134 Å²	134	154.5 Å²	154.5	72%	0.717	77%	0.767	S	S	*	*			trans	26.4	117.5	153.6	-47.4	-19.2	0	0	0	118
575	S	26.9	Very low	28.2	Very low	104 Å²	104	156 Å²	156	73%	0.727	77%	0.765	S	S	*	*				53	136.3	64.5	86.6	0	0	0	0	114.7
576	S	27.5	Very low	28.1	Very low	99 Å²	99	155.2 Å²	155.2	69%	0.692	76%	0.756	S	S	*	*			trans	73.9	73	175.2	-170.7	0	0	0	0	116.9
577	F	28.5	Very low	28.3	Very low	229 Å²	229	156.1 Å²	156.1	100%	1.004	76%	0.756	S	S	*	*			trans	-97.8	69.8	151.5	-116.9	-83.5	0	0	0	109.8
578	D	29.4	Very low	28.3	Very low	104 Å²	104	156.7 Å²	156.7	56%	0.556	76%	0.76	S	S	*	*			trans	-139.3	148.2	-177.8	-151.8	-21.8	0	0	0	110.1	L413	L413-D578 WeakPolarHBondContact CD2-OD2 3.5Å
579	K	29.5	Very low	28.4	Very low	123 Å²	123	157.6 Å²	157.6	54%	0.535	76%	0.764	S	S	.	*			trans	49.2	71.4	179.7	-62.9	175.1	176.6	171.8	0	117.9	L413 E414 K581	L413-K579 WeakPolarHBondContact O-CE 3.37Å; L413-K579 PolarHBondContact O-NZ 2.84Å; E414-K579 PolarHBondContact O-NZ 3.3Å; K579-K581 VanDerWaalsContact C-N 3.3Å; K579-K581 PolarHBondContact O-N 2.82Å
580	M	29.2	Very low	28.4	Very low	175 Å²	175	159.5 Å²	159.5	86%	0.862	77%	0.765	S	S	*	*			trans	-83.1	71.6	160.6	-156.3	174.1	-165.8	0	0	112.3	W582	M580-W582 PolarHBondContact O-N 3.49Å
581	K	30.1	Very low	28.5	Very low	167 Å²	167	158.3 Å²	158.3	73%	0.726	76%	0.76	S	S	*	*			trans	-76.2	110.8	179.1	179.6	-176.1	176.3	-176	0	111.3	K579 N583	K579-K581 VanDerWaalsContact C-N 3.3Å; K579-K581 PolarHBondContact O-N 2.82Å; K581-N583 VanDerWaalsContact CE-OD1 3.31Å; K581-N583 WeakPolarHBondContact CE-OD1 3.26Å; K581-N583 PolarHBondContact O-N 2.95Å
582	W	29.1	Very low	28.7	Very low	241 Å²	241	154.5 Å²	154.5	91%	0.913	76%	0.756	S	S	*	*			trans	-68	94.3	170.8	-90.1	54.5	0	0	0	111.3	M580 R584	M580-W582 PolarHBondContact O-N 3.49Å; W582-R584 PolarHBondContact O-N 2.93Å
583	N	30.5	Very low	28.9	Very low	102 Å²	102	153.8 Å²	153.8	55%	0.545	75%	0.751	S	S	.	*			trans	-71.8	119.8	169.3	-82.3	-17.1	0	0	0	109.9	K581 H585	K581-N583 VanDerWaalsContact CE-OD1 3.31Å; K581-N583 WeakPolarHBondContact CE-OD1 3.26Å; K581-N583 PolarHBondContact O-N 2.95Å; N583-H585 VanDerWaalsContact C-N 3.27Å; N583-H585 PolarHBondContact O-N 3.48Å
584	R	27.3	Very low	29	Very low	245 Å²	245	152.4 Å²	152.4	93%	0.925	75%	0.75	S	S	*	*			trans	-72.6	81.5	168.4	-170.6	-174.2	-59	-171.9	2.2	109.3	W582 V586	W582-R584 PolarHBondContact O-N 2.93Å; R584-V586 PolarHBondContact O-N 3.33Å
585	H	29.3	Very low	29	Very low	151 Å²	151	150.6 Å²	150.6	70%	0.699	75%	0.748	S	S	*	*			trans	-70.1	114	-176.4	-118.3	-77.9	0	0	0	111.4	N583 L587	N583-H585 VanDerWaalsContact C-N 3.27Å; N583-H585 PolarHBondContact O-N 3.48Å; H585-L587 PolarHBondContact O-N 3.08Å
586	V	26.9	Very low	29.1	Very low	114 Å²	114	150.6 Å²	150.6	69%	0.691	75%	0.747	S	S	*	*			trans	-64	123.8	161.3	174.3	0	0	0	0	107.4	R584	R584-V586 PolarHBondContact O-N 3.33Å
587	L	29.3	Very low	29.2	Very low	138 Å²	138	153 Å²	153	72%	0.723	75%	0.751	S	S	*	*			trans	-123.2	74.8	174.8	-138.6	161.4	0	0	0	109.1	H585 N589	H585-L587 PolarHBondContact O-N 3.08Å; L587-N589 HydrophobicContact CD2-CB 4.15Å; L587-N589 PolarHBondContact O-N 3.47Å; L587-N589 VanDerWaalsContact O-N 3.1Å
588	N	26.6	Very low	29.2	Very low	145 Å²	145	147.8 Å²	147.8	78%	0.775	73%	0.734	S	S	*	*			trans	-60.7	107.6	161.2	-90.6	-30.2	0	0	0	108.1
589	N	30.1	Very low	29.4	Very low	147 Å²	147	148.6 Å²	148.6	79%	0.786	74%	0.738	S	S	*	*			trans	-130.4	109.8	158.7	-111.9	-19.4	0	0	0	109.8	L587	L587-N589 HydrophobicContact CD2-CB 4.15Å; L587-N589 PolarHBondContact O-N 3.47Å; L587-N589 VanDerWaalsContact O-N 3.1Å
590	K	27.8	Very low	29.4	Very low	189 Å²	189	149.9 Å²	149.9	82%	0.822	75%	0.751	S	S	*	*			trans	-77	160	175	-71.4	177.8	171.1	177.6	0	110.2
591	K	29.9	Very low	29.3	Very low	191 Å²	191	146.2 Å²	146.2	83%	0.83	74%	0.742	S	S	*	*			trans	93.5	145.2	160.4	-55.2	-178.8	177.4	-178.3	0	116.3
592	N	29.8	Very low	29.3	Very low	144 Å²	144	143.3 Å²	143.3	77%	0.77	74%	0.739	S	S	*	*			trans	76	128.5	170.9	-56.5	-3.1	0	0	0	115.5
593	I	30.8	Very low	29.2	Very low	133 Å²	133	138.6 Å²	138.6	68%	0.682	73%	0.731	S	S	*	*			cis	-156.7	139.6	-4.3	-125.1	161.8	0	0	0	110.2
594	T	31.3	Very low	29.2	Very low	125 Å²	125	141.6 Å²	141.6	77%	0.767	74%	0.744	S	S	*	*			trans	53.9	150.1	162.8	54.6	0	0	0	0	120.9
595	S	29	Very low	29.2	Very low	96 Å²	96	137 Å²	137	67%	0.671	74%	0.738	S	S	*	*			cis	-172.4	162.6	-14.6	48.6	0	0	0	0	110.6
596	C	28.5	Very low	29.2	Very low	105 Å²	105	134.5 Å²	134.5	71%	0.709	74%	0.737	S	S	*	*			trans	73	112.9	166.8	-58.6	0	0	0	0	116
597	L	30.1	Very low	29.3	Very low	148 Å²	148	135.1 Å²	135.1	78%	0.775	74%	0.742	S	S	*	*				80.2	130.9	68.2	-73.2	168.7	0	0	0	112.4
598	N	28.9	Very low	29.2	Very low	121 Å²	121	135.4 Å²	135.4	65%	0.647	74%	0.743	S	S	*	*			cis	-165.2	-179.1	-11.9	-149.7	10.1	0	0	0	112
599	N	34	Very low	29.3	Very low	120 Å²	120	134.8 Å²	134.8	64%	0.642	74%	0.74	S	S	*	*			trans	76.2	94.8	155.7	-57.3	-17	0	0	0	119.8
600	N	30	Very low	29.4	Very low	151 Å²	151	137.6 Å²	137.6	81%	0.807	75%	0.745	S	S	*	*				24.5	136.2	113.3	-41.4	-13	0	0	0	117.2
601	S	27	Very low	29.6	Very low	97 Å²	97	134.7 Å²	134.7	68%	0.678	74%	0.743	S	S	*	*				177.5	152.4	51.5	-166.4	0	0	0	0	113
602	T	29.3	Very low	29.9	Very low	107 Å²	107	130.7 Å²	130.7	66%	0.656	74%	0.737	S	S	*	*			trans	44	116.9	146.1	50.6	0	0	0	0	123
603	D	27.7	Very low	30	Very low	142 Å²	142	129.5 Å²	129.5	76%	0.759	73%	0.73	S	S	*	*				74.9	159.1	124.3	-55.9	-24.6	0	0	0	123.7
604	M	29.8	Very low	30	Very low	165 Å²	165	130.9 Å²	130.9	81%	0.813	73%	0.731	S	S	*	*			trans	76.8	87.6	165.4	-57.5	-53	-173.3	0	0	120.7
605	D	26.8	Very low	30.1	Very low	149 Å²	149	131.5 Å²	131.5	80%	0.797	73%	0.73	S	S	*	*				64.3	169	107.4	-146.7	-0.4	0	0	0	120.9
606	S	30.6	Very low	30.3	Very low	97 Å²	97	133.5 Å²	133.5	68%	0.678	73%	0.733	S	S	*	*			trans	72.8	103.6	170.5	70	0	0	0	0	119.2
607	T	28	Very low	30.7	Very low	128 Å²	128	134.4 Å²	134.4	79%	0.785	74%	0.741	S	S	*	*			trans	-4.5	141.2	136.2	56.5	0	0	0	0	118.9
608	L	28.1	Very low	30.8	Very low	144 Å²	144	131.9 Å²	131.9	75%	0.754	74%	0.735	S	S	*	*				152	122.8	102	-166.1	67.8	0	0	0	114
609	N	27.6	Very low	30.8	Very low	132 Å²	132	134.2 Å²	134.2	71%	0.706	75%	0.748	S	S	*	*			trans	35	113.5	153.4	-53.1	-14.8	0	0	0	121.1
610	K	31.6	Very low	30.7	Very low	206 Å²	206	135.8 Å²	135.8	90%	0.896	75%	0.751	S	S	*	*				-172.4	153.3	96.4	-102.4	167.5	-176.1	175.7	0	115.3
611	T	32	Very low	30.6	Very low	128 Å²	128	134.5 Å²	134.5	79%	0.785	75%	0.749	S	S	*	*			trans	-70.7	169.9	168	47.5	0	0	0	0	111.8
612	P	37.1	Very low	30.7	Very low	107 Å²	107	137.7 Å²	137.7	70%	0.695	76%	0.757	S	S	*	*			cis	-146.6	-174.6	26.7	44.9	-24.9	0	0	0	119
613	D	31.4	Very low	30.6	Very low	118 Å²	118	137.4 Å²	137.4	63%	0.631	76%	0.76	S	S	*	*			trans	80.1	119.8	148	-84.8	20.6	0	0	0	122.7
614	K	32.2	Very low	30.7	Very low	162 Å²	162	138 Å²	138	70%	0.704	76%	0.761	S	S	*	*			trans	64.9	103.7	141.1	-58.7	179.9	179.5	100.1	0	118.7
615	N	33.2	Very low	30.7	Very low	139 Å²	139	138 Å²	138	74%	0.743	76%	0.759	S	S	*	*				-172.4	134.4	98.1	-88	-9.7	0	0	0	113.5
616	D	33.2	Very low	30.9	Very low	138 Å²	138	139.5 Å²	139.5	74%	0.738	76%	0.761	S	S	*	*			trans	57.3	159	138.3	-56.3	-28.9	0	0	0	125.2
617	S	36.5	Very low	30.9	Very low	123 Å²	123	143 Å²	143	86%	0.86	77%	0.771	S	S	*	*			trans	71.4	101.2	172.1	66.7	0	0	0	0	117.1
618	S	32.2	Very low	31	Very low	95 Å²	95	145.2 Å²	145.2	66%	0.664	78%	0.777	S	S	*	*			trans	-81	139.9	178.4	42.7	0	0	0	0	113.1	H620	S618-H620 PolarHBondContact O-N 3.29Å
619	N	28.5	Very low	31.1	Very low	170 Å²	170	145.9 Å²	145.9	91%	0.909	78%	0.782	S	S	*	*			trans	-76.7	113	153.7	-73.3	-70.2	0	0	0	107.8
620	H	31.6	Very low	31.5	Very low	153 Å²	153	148 Å²	148	71%	0.708	79%	0.792	S	S	*	*			trans	-103.7	118	169.8	-103.8	-75.7	0	0	0	112	S618 L622	S618-H620 PolarHBondContact O-N 3.29Å; H620-L622 PolarHBondContact O-N 2.99Å
621	V	27.7	Very low	31.4	Very low	125 Å²	125	145.1 Å²	145.1	76%	0.758	79%	0.786	S	S	*	*			trans	-58.9	123	159.4	176.7	0	0	0	0	107.8
622	L	30.4	Very low	31.4	Very low	163 Å²	163	144.6 Å²	144.6	85%	0.853	78%	0.783	S	S	*	*			trans	-97.7	106.8	166.4	-69.4	179.9	0	0	0	108.7	H620	H620-L622 PolarHBondContact O-N 2.99Å
623	S	27.2	Very low	31.1	Very low	102 Å²	102	151.3 Å²	151.3	71%	0.713	80%	0.795	S	S	*	*			trans	-65.8	167.5	166.8	-63.8	0	0	0	0	111.2
624	I	28.6	Very low	31	Very low	155 Å²	155	149.1 Å²	149.1	80%	0.795	80%	0.8	S	S	*	*	S	Bend	trans	-58.5	160.3	161.1	-61.8	160.1	0	0	0	109.4
625	E	29.4	Very low	31	Very low	163 Å²	163	148.4 Å²	148.4	76%	0.762	81%	0.809	S	S	*	*			trans	110.2	156.4	-174.1	-64.6	-55.8	148.6	0	0	113.6
626	H	31.2	Very low	30.8	Very low	182 Å²	182	147.6 Å²	147.6	84%	0.843	81%	0.809	S	S	*	*			trans	61.7	78.8	-175.5	-63.8	-90.8	0	0	0	117.4
627	L	31.4	Very low	31	Very low	171 Å²	171	149.8 Å²	149.8	90%	0.895	81%	0.812	S	S	*	*			trans	-156.6	30.8	144.3	-118	179.4	0	0	0	115.1
628	L	29.9	Very low	30.9	Very low	174 Å²	174	150.3 Å²	150.3	91%	0.911	81%	0.806	S	S	*	*			trans	-137.5	76.2	173.1	-76.3	178.7	0	0	0	110.9
629	D	31	Very low	31.2	Very low	158 Å²	158	153.3 Å²	153.3	85%	0.845	81%	0.814	S	S	*	*			trans	-159.5	125.6	161.8	-131.1	-21.1	0	0	0	111.5
630	L	35.6	Very low	31.5	Very low	176 Å²	176	150.6 Å²	150.6	92%	0.921	80%	0.804	S	S	*	*			trans	171.3	101.3	153.8	-102.6	167.2	0	0	0	109.8
631	N	28.7	Very low	31.8	Very low	145 Å²	145	150 Å²	150	78%	0.775	81%	0.806	S	S	*	*			trans	-146.3	139.4	172.6	-138	-18.7	0	0	0	111.2
632	T	31.5	Very low	32.1	Very low	118 Å²	118	154.9 Å²	154.9	72%	0.724	81%	0.811	S	S	*	*			trans	75.6	149.9	171.6	77.8	0	0	0	0	120.8
633	R	32.2	Very low	32.5	Very low	248 Å²	248	152 Å²	152	94%	0.936	80%	0.804	S	S	*	*			trans	77.8	132.4	-179.3	-53.8	179.6	175.5	-164.6	-4.1	113.2
634	G	29.3	Very low	33	Very low	71 Å²	71	154.4 Å²	154.4	73%	0.732	80%	0.802	S	S	*	*			cis	116.5	137.3	31.3	0	0	0	0	0	107.1
635	T	32.6	Very low	33.6	Very low	147 Å²	147	153.2 Å²	153.2	90%	0.902	79%	0.792	S	S	*	*			cis	-152.4	-178.3	18.5	44.2	0	0	0	0	112.2
636	T	29.1	Very low	34.2	Very low	122 Å²	122	151.2 Å²	151.2	75%	0.748	79%	0.787	S	S	*	*			trans	-66.2	149.3	-177.9	50.6	0	0	0	0	116.3
637	K	36.4	Very low	34.6	Very low	185 Å²	185	147.7 Å²	147.7	80%	0.804	77%	0.774	S	S	*	*				178.1	140.1	111.8	-96.2	167	-177	179.2	0	114.2
638	N	33.6	Very low	35	Very low	134 Å²	134	147.3 Å²	147.3	72%	0.717	77%	0.766	S	S	*	*			trans	25.2	138.4	137.1	-54.2	19.9	0	0	0	119
639	D	38.9	Very low	35.5	Very low	157 Å²	157	145.4 Å²	145.4	84%	0.84	75%	0.752	S	S	*	*				-155.3	-177.7	69.2	-110.1	-34.1	0	0	0	116.8
640	T	35.9	Very low	35.8	Very low	114 Å²	114	144.8 Å²	144.8	70%	0.699	75%	0.746	S	S	*	*			trans	-130.4	144.5	-157.9	-40.7	0	0	0	0	114.1
641	N	37.2	Very low	35.8	Very low	140 Å²	140	141 Å²	141	75%	0.749	73%	0.734	S	S	*	*			trans	-174.6	125.1	144.6	-97.4	-50.1	0	0	0	110.2
642	R	34.8	Very low	36.2	Very low	227 Å²	227	137.8 Å²	137.8	86%	0.857	73%	0.727	S	S	*	*				60.2	138.9	93.6	-79.5	-170.9	167.4	-168.1	-1.8	115.3
643	S	37.5	Very low	36.5	Very low	102 Å²	102	139.6 Å²	139.6	71%	0.713	73%	0.732	S	S	*	*			cis	-176.3	-180	-12.9	58	0	0	0	0	107.7
644	K	38.3	Very low	36.6	Very low	153 Å²	153	135.8 Å²	135.8	67%	0.665	73%	0.725	S	S	*	*			cis	-169.5	-179.6	9.3	-153.3	-176.8	153.1	-141	0	109
645	H	40.4	Very low	36.9	Very low	130 Å²	130	137.9 Å²	137.9	60%	0.602	73%	0.727	S	S	*	*			trans	70.4	154.9	163.9	-70.1	-73.7	0	0	0	116.7
646	D	42.4	Very low	37	Very low	122 Å²	122	136.1 Å²	136.1	65%	0.652	72%	0.721	S	S	*	*			cis	179	168.4	-24.2	-103.1	11.9	0	0	0	107.9
647	N	40.4	Very low	37.4	Very low	107 Å²	107	135.6 Å²	135.6	57%	0.572	72%	0.72	S	S	*	*			cis	-162.7	143.7	-16.8	-129.2	-50.1	0	0	0	109.3
648	K	39.3	Very low	37.4	Very low	164 Å²	164	134 Å²	134	71%	0.713	72%	0.72	S	S	*	*			trans	65.1	162.9	147.8	-75.5	164.1	173.8	-150.5	0	120.1
649	H	39.8	Very low	37.2	Very low	133 Å²	133	137.6 Å²	137.6	62%	0.616	73%	0.725	S	S	*	*			cis	-160.8	156.4	1.3	-128.1	-56.6	0	0	0	112.6
650	M	38.3	Very low	36.7	Very low	146 Å²	146	134.7 Å²	134.7	72%	0.719	72%	0.717	S	S	*	*			trans	67.9	138.5	157.7	-51.3	-69.9	56.8	0	0	118.1
651	S	34.9	Very low	36.6	Very low	96 Å²	96	136.6 Å²	136.6	67%	0.671	72%	0.723	S	S	*	*			cis	89.6	137.6	29.2	79.9	0	0	0	0	114.7
652	A	36.9	Very low	36.1	Very low	78 Å²	78	140.3 Å²	140.3	65%	0.645	73%	0.733	S	S	*	*			cis	-161.4	-167.3	-5.3	0	0	0	0	0	110.7
653	D	39.1	Very low	35.7	Very low	155 Å²	155	137.6 Å²	137.6	83%	0.829	73%	0.732	S	S	*	*			trans	70.8	152.1	158.2	-50.3	-24.2	0	0	0	119.1
654	E	34.2	Very low	35.3	Very low	168 Å²	168	137.9 Å²	137.9	79%	0.785	73%	0.734	S	S	*	*			cis	-164.8	160.6	-28.9	-168.1	179.8	-138.4	0	0	109.1
655	C	33.8	Very low	35	Very low	115 Å²	115	137 Å²	137	78%	0.777	74%	0.741	S	S	*	*			trans	65.1	156.1	167.9	-79.7	0	0	0	0	118.1
656	S	35.7	Very low	34.7	Very low	110 Å²	110	136.1 Å²	136.1	77%	0.769	75%	0.747	S	S	*	*			cis	-157.3	157.4	-19.6	-156.8	0	0	0	0	107.8
657	P	37.2	Very low	34	Very low	111 Å²	111	138 Å²	138	72%	0.721	76%	0.757	S	S	*	*			trans	-97.4	157.4	-171	37.3	-33.7	0	0	0	114.7
658	D	35.9	Very low	33.6	Very low	151 Å²	151	140 Å²	140	81%	0.807	77%	0.768	S	S	*	*			trans	-162.5	167.7	138.2	-117.3	-19.3	0	0	0	116.1
659	Y	30.4	Very low	33	Very low	210 Å²	210	141.4 Å²	141.4	82%	0.824	77%	0.774	S	S	*	*			trans	-49.2	152.5	-162.5	-85.7	-99.8	0	0	0	123.1
660	S	29.3	Very low	32.7	Very low	96 Å²	96	143 Å²	143	67%	0.671	78%	0.782	S	S	*	*			trans	112.2	152.6	133.8	77.6	0	0	0	0	120.3
661	N	32.3	Very low	32.1	Very low	155 Å²	155	143.2 Å²	143.2	83%	0.829	79%	0.786	S	S	*	*			trans	73.2	83.3	170.8	-54.7	-48.7	0	0	0	118.3	M663	N661-M663 PolarHBondContact O-N 3.1Å
662	F	27.6	Very low	31.8	Very low	217 Å²	217	149.3 Å²	149.3	95%	0.952	80%	0.796	S	S	*	*			trans	-78.5	104.3	166.2	-98.3	-86.8	0	0	0	112.4
663	M	26.4	Very low	31.4	Very low	171 Å²	171	151.2 Å²	151.2	84%	0.842	80%	0.799	S	S	*	*			trans	-143.4	155.5	149.1	-85.1	-154.9	73.8	0	0	110	N661	N661-M663 PolarHBondContact O-N 3.1Å
664	S	29.1	Very low	30.8	Very low	108 Å²	108	150.5 Å²	150.5	76%	0.755	80%	0.795	S	S	*	*			trans	74.7	111.9	168.5	-54.9	0	0	0	0	117.9
665	T	31	Very low	30.5	Very low	133 Å²	133	153 Å²	153	82%	0.816	80%	0.799	S	S	*	*			trans	-45.2	156.3	164.4	55.6	0	0	0	0	114.8
666	P	34.1	Very low	30.1	Very low	112 Å²	112	155.7 Å²	155.7	73%	0.727	80%	0.798	S	S	*	*				-144.9	157.3	96	38.5	-24.8	0	0	0	116.9
667	N	28.1	Very low	29.7	Very low	161 Å²	161	155.4 Å²	155.4	86%	0.861	79%	0.793	S	S	*	*			trans	41.8	113.5	149.2	-64.2	-23.7	0	0	0	120.8
668	N	31.9	Very low	29.3	Very low	149 Å²	149	158.8 Å²	158.8	80%	0.797	80%	0.8	S	S	*	*			trans	-140.1	144.4	131.8	-155	-10	0	0	0	111.3
669	K	27.3	Very low	29.2	Very low	194 Å²	194	157 Å²	157	84%	0.843	79%	0.794	S	S	*	*			trans	-97	107.7	-176.7	-72.6	177.9	178.5	174.3	0	110.3
670	H	32.5	Very low	29.5	Very low	168 Å²	168	153 Å²	153	78%	0.778	79%	0.791	S	S	*	*			trans	-132.7	134.5	160.7	-90.6	-83.1	0	0	0	111.6
671	N	26.8	Very low	30.1	Very low	150 Å²	150	152.1 Å²	152.1	80%	0.802	78%	0.783	S	S	*	*			trans	-71.3	126.5	178.3	-61.2	-39.6	0	0	0	110.1
672	Y	29.2	Very low	30.6	Very low	224 Å²	224	148.6 Å²	148.6	88%	0.878	76%	0.764	S	S	*	*			trans	-128.7	125.7	148.9	-100.2	-85	0	0	0	109.1
673	V	28.4	Very low	31.5	Very low	118 Å²	118	142.3 Å²	142.3	72%	0.715	75%	0.746	S	S	*	*			trans	-86.1	148.1	-172.4	175.5	0	0	0	0	110.3	Y675	V673-Y675 PolarHBondContact O-N 3.33Å; V673-Y675 VanDerWaalsContact O-N 3.14Å
674	N	25.6	Very low	32.7	Very low	140 Å²	140	139.9 Å²	139.9	75%	0.749	74%	0.735	S	S	*	*			trans	-45.4	112.7	-179.9	-59.4	-45.1	0	0	0	113.5	F676	N674-F676 HydrophobicContact CB-CD2 4.45Å; N674-F676 PolarHBondContact O-N 3.11Å
675	Y	27.7	Very low	34	Very low	221 Å²	221	139.2 Å²	139.2	87%	0.867	72%	0.723	S	S	*	*			trans	-84.4	87.9	161.4	-97.9	-90.3	0	0	0	109.8	V673 P677	V673-Y675 PolarHBondContact O-N 3.33Å; V673-Y675 VanDerWaalsContact O-N 3.14Å; Y675-P677 WeakPolarHBondContact O-CD 3.32Å
676	F	25.3	Very low	35	Very low	170 Å²	170	136.5 Å²	136.5	75%	0.746	70%	0.702	S	S	*	*			trans	-83.1	114.6	162.5	-106.5	-87.9	0	0	0	108.9	N674 Q678	N674-F676 HydrophobicContact CB-CD2 4.45Å; N674-F676 PolarHBondContact O-N 3.11Å; F676-Q678 VanDerWaalsContact C-N 3.25Å; F676-Q678 PolarHBondContact O-N 2.88Å
677	P	28.7	Very low	35.9	Very low	105 Å²	105	138 Å²	138	68%	0.682	70%	0.698	S	S	*	*			trans	-77	78.6	167.8	32	-33.3	0	0	0	109.9	Y675 T679	Y675-P677 WeakPolarHBondContact O-CD 3.32Å; P677-T679 PolarHBondContact O-N 2.85Å
678	Q	28.5	Very low	37	Very low	182 Å²	182	133.2 Å²	133.2	85%	0.85	68%	0.677	S	S	*	*			trans	-75.6	69.5	157.7	-75.2	-169.9	-8.9	0	0	108.9	F676	F676-Q678 VanDerWaalsContact C-N 3.25Å; F676-Q678 PolarHBondContact O-N 2.88Å
679	T	33.1	Very low	38.4	Very low	113 Å²	113	131.1 Å²	131.1	69%	0.693	66%	0.664	S	S	*	*			trans	-122.9	134.5	-177.9	46.1	0	0	0	0	111.7	P677	P677-T679 PolarHBondContact O-N 2.85Å
680	V	37	Very low	39.8	Very low	125 Å²	125	125.9 Å²	125.9	76%	0.758	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-59.2	142	173.5	179.5	0	0	0	0	108.9	D682	V680-D682 PolarHBondContact O-N 3.34Å
681	P	42.7	Very low	41	Very low	79 Å²	79	120 Å²	120	51%	0.513	63%	0.625	S	S	.	*	P	Polyproline II helix	trans	-61.5	132.3	178	-14.9	27.4	0	0	0	109.9	I686	P681-I686 HydrophobicContact CB-CD1 4.14Å; P681-I686 HydrophobicContact CB-CG1 4.29Å
682	D	41.9	Very low	42.3	Very low	80 Å²	80	121.8 Å²	121.8	43%	0.428	62%	0.621	S	S	.	*	P	Polyproline II helix	trans	-48.4	122.6	-175.5	173.9	7.6	0	0	0	111.5	V680 L684 L685 I686	V680-D682 PolarHBondContact O-N 3.34Å; D682-L684 PolarHBondContact O-N 3.44Å; D682-L684 VanDerWaalsContact O-N 3.12Å; D682-L684 WeakPolarHBondContact OD1-CB 3.4Å; D682-L684 PolarHBondContact OD1-N 3.2Å; D682-L685 HydrophobicContact CB-CB 3.95Å; D682-L685 WeakPolarHBondContact O-CA 3.43Å; D682-L685 WeakPolarHBondContact O-CB 3.41Å; D682-L685 PolarHBondContact O-N 3.07Å; D682-I686 PolarHBondContact O-N 2.73Å
683	P	45.9	Very low	43.4	Very low	86 Å²	86	116.7 Å²	116.7	56%	0.558	61%	0.605	S	S	*	*	H	α-helix	trans	-54.3	-27.8	175.8	-27.6	36	0	0	0	114	K687	P683-K687 VanDerWaalsContact O-CB 3.32Å; P683-K687 WeakPolarHBondContact O-CB 3.38Å; P683-K687 VanDerWaalsContact O-CG 3.26Å; P683-K687 WeakPolarHBondContact O-CG 3.4Å; P683-K687 PolarHBondContact O-N 3.29Å
684	L	51.2	Low	44.6	Very low	119 Å²	119	116.1 Å²	116.1	62%	0.623	60%	0.597	S	S	*	*	H	α-helix	trans	-72.4	-40.3	173.7	-57.6	177.2	0	0	0	111.5	D682 K687 S688	D682-L684 PolarHBondContact O-N 3.44Å; D682-L684 VanDerWaalsContact O-N 3.12Å; D682-L684 WeakPolarHBondContact OD1-CB 3.4Å; D682-L684 PolarHBondContact OD1-N 3.2Å; L684-K687 PolarHBondContact O-N 3.21Å; L684-S688 WeakPolarHBondContact O-CB 3.41Å; L684-S688 PolarHBondContact O-N 3.41Å
685	L	57.8	Low	46	Very low	94 Å²	94	114.6 Å²	114.6	49%	0.492	59%	0.588	S	S	.	*	H	α-helix	trans	-62.2	-46.8	172.8	-176	64.1	0	0	0	110.8	D682 K687 S688 I689	D682-L685 HydrophobicContact CB-CB 3.95Å; D682-L685 WeakPolarHBondContact O-CA 3.43Å; D682-L685 WeakPolarHBondContact O-CB 3.41Å; D682-L685 PolarHBondContact O-N 3.07Å; L685-K687 PolarHBondContact O-N 2.84Å; L685-S688 PolarHBondContact O-N 3.47Å; L685-S688 VanDerWaalsContact O-N 3.16Å; L685-S688 PolarHBondContact O-OG 3.37Å; L685-I689 HydrophobicContact CD1-CD1 4.3Å; L685-I689 HydrophobicContact CG-CD1 4.08Å; L685-I689 WeakPolarHBondContact O-CG1 3.32Å; L685-I689 PolarHBondContact O-N 3.23Å
686	I	51.2	Low	47.1	Very low	76 Å²	76	110.1 Å²	110.1	39%	0.39	58%	0.575	S	S	.	*	H	α-helix	trans	-59.6	-46.5	175.4	-62.1	174.9	0	0	0	110.7	P681 D682 S688 I689 L690	P681-I686 HydrophobicContact CB-CD1 4.14Å; P681-I686 HydrophobicContact CB-CG1 4.29Å; D682-I686 PolarHBondContact O-N 2.73Å; I686-S688 VanDerWaalsContact C-N 3.33Å; I686-S688 PolarHBondContact O-N 3Å; I686-I689 PolarHBondContact O-N 3.28Å; I686-L690 HydrophobicContact CG2-CD1 3.98Å; I686-L690 WeakPolarHBondContact O-CB 3.37Å; I686-L690 PolarHBondContact O-N 3.23Å
687	K	54.4	Low	47.8	Very low	145 Å²	145	106.3 Å²	106.3	63%	0.63	56%	0.563	S	S	*	*	H	α-helix	trans	-59	-40.6	174.3	-81.2	175.8	177.3	179.8	0	112.3	P683 L684 L685 L690 A691	P683-K687 VanDerWaalsContact O-CB 3.32Å; P683-K687 WeakPolarHBondContact O-CB 3.38Å; P683-K687 VanDerWaalsContact O-CG 3.26Å; P683-K687 WeakPolarHBondContact O-CG 3.4Å; P683-K687 PolarHBondContact O-N 3.29Å; L684-K687 PolarHBondContact O-N 3.21Å; L685-K687 PolarHBondContact O-N 2.84Å; K687-L690 PolarHBondContact O-N 2.93Å; K687-A691 WeakPolarHBondContact O-CB 3.43Å; K687-A691 PolarHBondContact O-N 3.19Å
688	S	51	Low	48.6	Very low	60 Å²	60	111.5 Å²	111.5	42%	0.42	57%	0.574	S	S	.	*	H	α-helix	trans	-66.7	-37.2	179.4	80	0	0	0	0	112.7	L684 L685 I686 R692	L684-S688 WeakPolarHBondContact O-CB 3.41Å; L684-S688 PolarHBondContact O-N 3.41Å; L685-S688 PolarHBondContact O-N 3.47Å; L685-S688 VanDerWaalsContact O-N 3.16Å; L685-S688 PolarHBondContact O-OG 3.37Å; I686-S688 VanDerWaalsContact C-N 3.33Å; I686-S688 PolarHBondContact O-N 3Å; S688-R692 PolarHBondContact O-N 3.25Å
689	I	60.6	Low	49.1	Very low	105 Å²	105	108.3 Å²	108.3	54%	0.538	57%	0.572	S	S	.	*	H	α-helix	trans	-70.5	-46.3	177.2	-67.3	166.2	0	0	0	110	L685 I686 R692 H693	L685-I689 HydrophobicContact CD1-CD1 4.3Å; L685-I689 HydrophobicContact CG-CD1 4.08Å; L685-I689 WeakPolarHBondContact O-CG1 3.32Å; L685-I689 PolarHBondContact O-N 3.23Å; I686-I689 PolarHBondContact O-N 3.28Å; I689-R692 PolarHBondContact O-N 3.25Å; I689-H693 WeakPolarHBondContact O-CB 3.44Å; I689-H693 PolarHBondContact O-N 2.94Å
690	L	56.2	Low	49.1	Very low	83 Å²	83	111.4 Å²	111.4	44%	0.435	58%	0.576	S	S	.	*	H	α-helix	trans	-60.9	-43.8	174	-77.1	169.4	0	0	0	111.8	I686 K687 H693 L694	I686-L690 HydrophobicContact CG2-CD1 3.98Å; I686-L690 WeakPolarHBondContact O-CB 3.37Å; I686-L690 PolarHBondContact O-N 3.23Å; K687-L690 PolarHBondContact O-N 2.93Å; L690-H693 PolarHBondContact O-N 2.87Å; L690-L694 WeakPolarHBondContact O-CB 3.32Å; L690-L694 VanDerWaalsContact O-CG 3.27Å; L690-L694 WeakPolarHBondContact O-CG 3.37Å; L690-L694 PolarHBondContact O-N 3.22Å
691	A	57.6	Low	48.8	Very low	44 Å²	44	116.4 Å²	116.4	36%	0.364	58%	0.581	S	S	.	*	H	α-helix	trans	-60.8	-46	177.2	0	0	0	0	0	111.9	K687 H693 L694 I695	K687-A691 WeakPolarHBondContact O-CB 3.43Å; K687-A691 PolarHBondContact O-N 3.19Å; A691-H693 PolarHBondContact O-N 2.85Å; A691-L694 PolarHBondContact O-N 2.81Å; A691-I695 WeakPolarHBondContact O-CB 3.22Å; A691-I695 WeakPolarHBondContact O-CD1 3.49Å; A691-I695 WeakPolarHBondContact O-CG1 3.3Å; A691-I695 PolarHBondContact O-N 2.98Å
692	R	55.2	Low	48.7	Very low	189 Å²	189	122.8 Å²	122.8	71%	0.713	62%	0.618	S	S	*	*	H	α-helix	trans	-57.1	-47.6	171.5	-91.7	-176.5	168.5	159.2	-1.8	111.8	S688 I689 L694 I695 E696	S688-R692 PolarHBondContact O-N 3.25Å; I689-R692 PolarHBondContact O-N 3.25Å; R692-L694 VanDerWaalsContact C-N 3.3Å; R692-L694 PolarHBondContact O-N 3.24Å; R692-I695 PolarHBondContact O-N 3.01Å; R692-E696 WeakPolarHBondContact O-CG 3.11Å; R692-E696 PolarHBondContact O-N 3.47Å
693	H	51.8	Low	49.1	Very low	117 Å²	117	124.9 Å²	124.9	54%	0.542	63%	0.628	S	S	.	*	H	α-helix	trans	-67.5	-29.8	-177	-150.7	67.5	0	0	0	113.3	I689 L690 A691 N697	I689-H693 WeakPolarHBondContact O-CB 3.44Å; I689-H693 PolarHBondContact O-N 2.94Å; L690-H693 PolarHBondContact O-N 2.87Å; A691-H693 PolarHBondContact O-N 2.85Å; H693-N697 PolarHBondContact O-ND2 2.86Å
694	L	54.2	Low	49.3	Very low	106 Å²	106	126.9 Å²	126.9	56%	0.555	63%	0.631	S	S	*	*	H	α-helix	trans	-74.6	-42.2	172.4	-71.5	165.4	0	0	0	111.8	L690 A691 R692 E696 N697	L690-L694 WeakPolarHBondContact O-CB 3.32Å; L690-L694 VanDerWaalsContact O-CG 3.27Å; L690-L694 WeakPolarHBondContact O-CG 3.37Å; L690-L694 PolarHBondContact O-N 3.22Å; A691-L694 PolarHBondContact O-N 2.81Å; R692-L694 VanDerWaalsContact C-N 3.3Å; R692-L694 PolarHBondContact O-N 3.24Å; L694-E696 VanDerWaalsContact C-N 3.34Å; L694-E696 PolarHBondContact O-N 3.36Å; L694-N697 CarbonylContact O-C 3.53Å; L694-N697 PolarHBondContact O-N 3.47Å
695	I	54.3	Low	49.1	Very low	107 Å²	107	127.4 Å²	127.4	55%	0.549	63%	0.632	S	S	.	*	H	α-helix	trans	-65.2	-36.4	178.5	-70.4	164.7	0	0	0	111.8	A691 R692 N697	A691-I695 WeakPolarHBondContact O-CB 3.22Å; A691-I695 WeakPolarHBondContact O-CD1 3.49Å; A691-I695 WeakPolarHBondContact O-CG1 3.3Å; A691-I695 PolarHBondContact O-N 2.98Å; R692-I695 PolarHBondContact O-N 3.01Å; I695-N697 VanDerWaalsContact C-N 3.31Å; I695-N697 PolarHBondContact O-N 3.08Å
696	E	50	Low	48.6	Very low	127 Å²	127	129.4 Å²	129.4	59%	0.593	64%	0.64	S	S	*	*	H	α-helix	trans	-72.6	-22.3	177.6	-71.6	179.4	174.8	0	0	113.3	R692 L694	R692-E696 WeakPolarHBondContact O-CG 3.11Å; R692-E696 PolarHBondContact O-N 3.47Å; L694-E696 VanDerWaalsContact C-N 3.34Å; L694-E696 PolarHBondContact O-N 3.36Å
697	N	40	Very low	48.5	Very low	91 Å²	91	132.7 Å²	132.7	49%	0.487	66%	0.656	S	S	.	*			trans	-104.4	91	-179.9	-75	-69.1	0	0	0	111.7	H693 L694 I695 S699	H693-N697 PolarHBondContact O-ND2 2.86Å; L694-N697 CarbonylContact O-C 3.53Å; L694-N697 PolarHBondContact O-N 3.47Å; I695-N697 VanDerWaalsContact C-N 3.31Å; I695-N697 PolarHBondContact O-N 3.08Å; N697-S699 PolarHBondContact O-N 2.61Å
698	K	46.4	Very low	48.1	Very low	214 Å²	214	131.9 Å²	131.9	93%	0.93	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.9	29.5	-179	-60.8	-171.2	173.5	-170.9	0	116.8
699	S	38.4	Very low	47.9	Very low	114 Å²	114	137 Å²	137	80%	0.797	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.8	6.7	-170.1	-163.8	0	0	0	0	115	N697	N697-S699 PolarHBondContact O-N 2.61Å
700	F	33.1	Very low	46.9	Very low	178 Å²	178	139.5 Å²	139.5	78%	0.781	69%	0.685	S	S	*	*			trans	-110.1	118.6	171.1	-124.8	-93	0	0	0	110
701	R	30.8	Very low	46.1	Very low	230 Å²	230	144.2 Å²	144.2	87%	0.868	71%	0.706	S	S	*	*			trans	-94.7	145.1	152.8	-79.7	-172.3	171.2	-152.5	-3.5	107.2
702	V	41.7	Very low	45.1	Very low	213 Å²	213	153.3 Å²	153.3	100%	1.291	74%	0.737	S	S	*	*			trans	-81.6	0	162.8	-175.6	0	0	0	0	108

Retrieved 702 of 702 residues in 196.6 ms (Link to these results)

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