A0A087XH25_POEFO Loading...

BRCA1 associated RING domain 1

AlphaFold DB , UniProt , Accession A0A087XH25, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 745 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	37.7	Very low	48.4	Very low	232 Å²	232	144.1 Å²	144.1	100%	1.143	79%	0.791	S	S	*	*				0	74.2	0	-82.8	-57.6	-171.2	0	0	106.3
2	D	44.1	Very low	50.4	Low	142 Å²	142	144.3 Å²	144.3	76%	0.759	77%	0.772	S	S	*	*			trans	-100.6	129.4	-165.1	-48.3	-99.6	0	0	0	106.4
3	N	44.4	Very low	52.7	Low	150 Å²	150	142.3 Å²	142.3	80%	0.802	75%	0.752	S	S	*	*			trans	-178.3	66	165.4	-97.3	-27.9	0	0	0	112.4
4	T	44	Very low	54.7	Low	143 Å²	143	141.4 Å²	141.4	88%	0.877	75%	0.748	S	S	*	*	S	Bend	trans	-141.8	34.8	168.3	47.3	0	0	0	0	112.6
5	T	48.3	Very low	56.5	Low	138 Å²	138	135.6 Å²	135.6	85%	0.847	72%	0.72	S	S	*	*	S	Bend	trans	-142.3	49.8	-171.9	22.6	0	0	0	0	113.1
6	S	47	Very low	58.1	Low	89 Å²	89	133.6 Å²	133.6	62%	0.622	70%	0.703	S	S	*	*	S	Bend	trans	-150.1	10.2	178.9	60.3	0	0	0	0	116.9
7	L	46.8	Very low	59.7	Low	170 Å²	170	132.7 Å²	132.7	89%	0.89	69%	0.694	S	S	*	*	S	Bend	trans	-123.8	52.5	-172.7	-74.3	171.6	0	0	0	113.6
8	Q	49.9	Very low	61.1	Low	173 Å²	173	128.6 Å²	128.6	81%	0.808	68%	0.682	S	S	*	*	S	Bend	trans	-152.1	22.4	174.3	-134.6	172.5	16.1	0	0	115.5
9	T	51.6	Low	62.3	Low	118 Å²	118	122.7 Å²	122.7	72%	0.724	65%	0.652	S	S	*	*	S	Bend	trans	-112.8	-24.4	-173.1	45	0	0	0	0	115.6
10	D	54.9	Low	63.4	Low	102 Å²	102	119.1 Å²	119.1	55%	0.545	64%	0.64	S	S	.	*	S	Bend	trans	-86.3	-24.3	-178.6	-93.6	-54.5	0	0	0	114.2	W12 K13	D10-W12 PolarHBondContact O-N 2.9Å; D10-K13 WeakPolarHBondContact O-CB 3.49Å; D10-K13 PolarHBondContact O-N 2.99Å; D10-K13 WeakPolarHBondContact OD1-CD 3.34Å; D10-K13 IonicContact OD1-NZ 2.81Å; D10-K13 PolarHBondContact OD1-NZ 3.14Å
11	D	63.6	Low	64.6	Low	128 Å²	128	117.6 Å²	117.6	68%	0.684	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.3	-27.3	-171.7	-71.1	-13.6	0	0	0	115.2
12	W	72.3	Confident	67	Low	147 Å²	147	110.7 Å²	110.7	56%	0.557	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.6	8.2	-178.4	-68.4	87.8	0	0	0	113.9	D10 T15 K16 L93	D10-W12 PolarHBondContact O-N 2.9Å; W12-T15 HydrophobicContact CE3-CG2 3.82Å; W12-T15 HydrophobicContact CZ3-CG2 4.03Å; W12-T15 WeakPolarHBondContact O-CB 3.35Å; W12-T15 PolarHBondContact O-N 2.87Å; W12-K16 HydrophobicContact CB-CD 4.47Å; W12-K16 HydrophobicContact CB-CG 4.49Å; W12-K16 WeakPolarHBondContact O-CB 3.44Å; W12-K16 WeakPolarHBondContact O-CG 3.48Å; W12-K16 PolarHBondContact O-N 2.73Å; W12-L93 HydrophobicContact CD2-CD2 4.27Å; W12-L93 HydrophobicContact CE3-CD2 3.63Å; W12-L93 HydrophobicContact CZ3-CD2 4.12Å
13	K	80.1	Confident	69.1	Low	118 Å²	118	109.3 Å²	109.3	51%	0.513	58%	0.58	S	S	.	*	H	α-helix	trans	-59	-52.9	-174.9	-177.3	166.6	178.8	180	0	113.1	D10 T15 K16 E17	D10-K13 WeakPolarHBondContact O-CB 3.49Å; D10-K13 PolarHBondContact O-N 2.99Å; D10-K13 WeakPolarHBondContact OD1-CD 3.34Å; D10-K13 IonicContact OD1-NZ 2.81Å; D10-K13 PolarHBondContact OD1-NZ 3.14Å; K13-T15 PolarHBondContact O-N 3.05Å; K13-K16 PolarHBondContact O-N 2.67Å; K13-E17 WeakPolarHBondContact O-CB 3.37Å; K13-E17 PolarHBondContact O-N 3.38Å
14	N	81.3	Confident	71.2	Confident	130 Å²	130	111.3 Å²	111.3	70%	0.695	58%	0.576	S	S	*	*	H	α-helix	trans	-61.1	-35.9	177.9	-62.3	-4.5	0	0	0	111.4	A18	N14-A18 VanDerWaalsContact O-CB 3.29Å; N14-A18 WeakPolarHBondContact O-CB 3.47Å; N14-A18 PolarHBondContact O-N 3.28Å
15	T	81.5	Confident	73.3	Confident	54 Å²	54	110.3 Å²	110.3	33%	0.331	57%	0.565	S	S	.	*	H	α-helix	trans	-69.7	-45	176.6	-47	0	0	0	0	111.6	W12 K13 E17 A18 V19 L93	W12-T15 HydrophobicContact CE3-CG2 3.82Å; W12-T15 HydrophobicContact CZ3-CG2 4.03Å; W12-T15 WeakPolarHBondContact O-CB 3.35Å; W12-T15 PolarHBondContact O-N 2.87Å; K13-T15 PolarHBondContact O-N 3.05Å; T15-E17 VanDerWaalsContact C-N 3.31Å; T15-E17 PolarHBondContact O-N 2.78Å; T15-A18 PolarHBondContact O-N 3.04Å; T15-V19 VanDerWaalsContact O-CB 3.32Å; T15-V19 WeakPolarHBondContact O-CB 3.49Å; T15-V19 WeakPolarHBondContact O-CG2 3.47Å; T15-V19 PolarHBondContact O-N 3.16Å; T15-L93 HydrophobicContact CG2-CD1 4.18Å; T15-L93 HydrophobicContact CG2-CD2 4.46Å
16	K	82.7	Confident	75.3	Confident	104 Å²	104	104 Å²	104	45%	0.452	53%	0.526	S	S	.	.	H	α-helix	trans	-62.8	-38.4	175.9	-74.1	176.3	177.1	-177.1	0	111.3	W12 K13 A20	W12-K16 HydrophobicContact CB-CD 4.47Å; W12-K16 HydrophobicContact CB-CG 4.49Å; W12-K16 WeakPolarHBondContact O-CB 3.44Å; W12-K16 WeakPolarHBondContact O-CG 3.48Å; W12-K16 PolarHBondContact O-N 2.73Å; K13-K16 PolarHBondContact O-N 2.67Å; K16-A20 VanDerWaalsContact O-CB 3.3Å; K16-A20 WeakPolarHBondContact O-CB 3.24Å; K16-A20 PolarHBondContact O-N 2.75Å
17	E	85.1	Confident	77.4	Confident	118 Å²	118	102.3 Å²	102.3	55%	0.551	51%	0.51	S	S	*	.	H	α-helix	trans	-66.9	-46.8	172.8	-177.7	172.5	-177.1	0	0	112.3	K13 T15 V19 A20 N21	K13-E17 WeakPolarHBondContact O-CB 3.37Å; K13-E17 PolarHBondContact O-N 3.38Å; T15-E17 VanDerWaalsContact C-N 3.31Å; T15-E17 PolarHBondContact O-N 2.78Å; E17-V19 VanDerWaalsContact C-N 3.29Å; E17-V19 PolarHBondContact O-N 3.08Å; E17-A20 PolarHBondContact O-N 3.32Å; E17-N21 WeakPolarHBondContact O-CB 3.4Å; E17-N21 PolarHBondContact O-N 2.7Å; E17-N21 PolarHBondContact O-ND2 2.65Å
18	A	83.9	Confident	79.6	Confident	58 Å²	58	94.2 Å²	94.2	48%	0.479	47%	0.467	S	S	.	.	H	α-helix	trans	-59.7	-39.8	175.7	0	0	0	0	0	112.1	N14 T15 N21 F22	N14-A18 VanDerWaalsContact O-CB 3.29Å; N14-A18 WeakPolarHBondContact O-CB 3.47Å; N14-A18 PolarHBondContact O-N 3.28Å; T15-A18 PolarHBondContact O-N 3.04Å; A18-N21 PolarHBondContact O-N 3.33Å; A18-F22 WeakPolarHBondContact O-CB 3.3Å; A18-F22 PolarHBondContact O-N 3.2Å
19	V	85.4	Confident	81.6	Confident	18 Å²	18	88.7 Å²	88.7	11%	0.109	45%	0.448	C	S	.	.	H	α-helix	trans	-69.1	-42.3	176.3	167.4	0	0	0	0	111.4	T15 E17 N21 F22 R23 F86 L89 E90 L93	T15-V19 VanDerWaalsContact O-CB 3.32Å; T15-V19 WeakPolarHBondContact O-CB 3.49Å; T15-V19 WeakPolarHBondContact O-CG2 3.47Å; T15-V19 PolarHBondContact O-N 3.16Å; E17-V19 VanDerWaalsContact C-N 3.29Å; E17-V19 PolarHBondContact O-N 3.08Å; V19-N21 VanDerWaalsContact C-N 3.33Å; V19-N21 PolarHBondContact O-N 3.34Å; V19-F22 PolarHBondContact O-N 3.37Å; V19-R23 WeakPolarHBondContact O-CB 3.38Å; V19-R23 PolarHBondContact O-N 3.43Å; V19-F86 HydrophobicContact CG1-CE2 3.84Å; V19-F86 HydrophobicContact CG1-CZ 4.38Å; V19-L89 HydrophobicContact CG1-CD2 4.26Å; V19-L89 HydrophobicContact CG2-CD2 3.42Å; V19-L89 VanDerWaalsContact CG2-CD2 3.42Å; V19-E90 HydrophobicContact CG1-CG 3.98Å; V19-L93 HydrophobicContact CB-CD1 4.28Å; V19-L93 HydrophobicContact CG1-CD1 4.26Å; V19-L93 HydrophobicContact CG2-CD1 3.69Å
20	A	84.4	Confident	83.4	Confident	50 Å²	50	87.7 Å²	87.7	41%	0.413	43%	0.433	S	S	.	.	H	α-helix	trans	-62.9	-38.5	173.2	0	0	0	0	0	112.3	K16 E17 R23 R24	K16-A20 VanDerWaalsContact O-CB 3.3Å; K16-A20 WeakPolarHBondContact O-CB 3.24Å; K16-A20 PolarHBondContact O-N 2.75Å; E17-A20 PolarHBondContact O-N 3.32Å; A20-R23 WeakPolarHBondContact O-CB 3.35Å; A20-R24 WeakPolarHBondContact O-CG 3.48Å; A20-R24 PolarHBondContact O-N 3Å
21	N	87.3	Confident	85.1	Confident	87 Å²	87	85.1 Å²	85.1	47%	0.465	42%	0.423	S	S	.	.	H	α-helix	trans	-67.7	-43.2	174.4	-76.6	-38.4	0	0	0	111.8	E17 A18 V19 R23 R24	E17-N21 WeakPolarHBondContact O-CB 3.4Å; E17-N21 PolarHBondContact O-N 2.7Å; E17-N21 PolarHBondContact O-ND2 2.65Å; A18-N21 PolarHBondContact O-N 3.33Å; V19-N21 VanDerWaalsContact C-N 3.33Å; V19-N21 PolarHBondContact O-N 3.34Å; N21-R23 PolarHBondContact O-N 3.04Å; N21-R24 WeakPolarHBondContact O-CB 3.46Å; N21-R24 PolarHBondContact O-N 3.5Å
22	F	88.3	Confident	86.4	Confident	88 Å²	88	83.2 Å²	83.2	39%	0.386	42%	0.419	S	S	.	.	H	α-helix	trans	-66.4	-35.7	176	-166.7	-114.4	0	0	0	112.3	A18 V19 R24 L25 L26 I82 F86	A18-F22 WeakPolarHBondContact O-CB 3.3Å; A18-F22 PolarHBondContact O-N 3.2Å; V19-F22 PolarHBondContact O-N 3.37Å; F22-R24 PolarHBondContact O-N 2.96Å; F22-L25 HydrophobicContact CD2-CD1 4.25Å; F22-L25 WeakPolarHBondContact O-CB 3.21Å; F22-L25 PolarHBondContact O-N 2.93Å; F22-L26 HydrophobicContact CD1-CD1 3.88Å; F22-L26 HydrophobicContact CD1-CG 4.46Å; F22-L26 HydrophobicContact CE1-CD1 3.65Å; F22-L26 HydrophobicContact CE1-CG 4.28Å; F22-L26 HydrophobicContact CZ-CD1 4.38Å; F22-L26 HydrophobicContact CZ-CD2 4.49Å; F22-L26 PolarHBondContact O-N 3Å; F22-I82 HydrophobicContact CE1-CG2 4.04Å; F22-I82 HydrophobicContact CZ-CG2 3.73Å; F22-F86 AromaticContact CD1-CD2 3.54Å; F22-F86 HydrophobicContact CD1-CD2 3.54Å; F22-F86 AromaticContact CD1-CE2 3.97Å; F22-F86 HydrophobicContact CD1-CE2 3.97Å; F22-F86 HydrophobicContact CD1-CG 4.26Å; F22-F86 HydrophobicContact CE1-CB 4.35Å; F22-F86 HydrophobicContact CE1-CD2 4.1Å; F22-F86 HydrophobicContact CE1-CG 4.45Å
23	R	88.6	Confident	87.2	Confident	113 Å²	113	81.4 Å²	81.4	43%	0.426	42%	0.421	S	S	.	.	H	α-helix	trans	-50	-44.6	171.9	-164.4	-179.3	175.3	116.5	-2.4	111.5	V19 A20 N21 L25 L26 L27 V34 F86 E90	V19-R23 WeakPolarHBondContact O-CB 3.38Å; V19-R23 PolarHBondContact O-N 3.43Å; A20-R23 WeakPolarHBondContact O-CB 3.35Å; N21-R23 PolarHBondContact O-N 3.04Å; R23-L25 VanDerWaalsContact C-N 3.27Å; R23-L25 PolarHBondContact O-N 3.21Å; R23-L26 PolarHBondContact O-N 2.92Å; R23-L26 VanDerWaalsContact O-N 3.09Å; R23-L27 HydrophobicContact CG-CD2 4.43Å; R23-L27 WeakPolarHBondContact O-CD2 3.41Å; R23-L27 WeakPolarHBondContact O-CG 3.39Å; R23-L27 PolarHBondContact O-N 2.88Å; R23-V34 HydrophobicContact CG-CG2 4.3Å; R23-F86 HydrophobicContact CB-CE1 4.25Å; R23-F86 HydrophobicContact CB-CE2 4.33Å; R23-F86 HydrophobicContact CB-CZ 3.52Å; R23-F86 HydrophobicContact CG-CE1 4Å; R23-F86 HydrophobicContact CG-CZ 3.71Å; R23-E90 WeakPolarHBondContact CD-OE1 3.49Å; R23-E90 IonicContact CZ-OE1 3.61Å; R23-E90 IonicContact CZ-OE2 2.67Å; R23-E90 IonicContact NE-OE1 3.86Å; R23-E90 IonicContact NH1-OE1 3.4Å; R23-E90 PolarHBondContact NH1-OE1 2.97Å; R23-E90 IonicContact NH1-OE2 3.74Å; R23-E90 PolarHBondContact NH1-OE2 2.98Å
24	R	87.8	Confident	87.7	Confident	191 Å²	191	77.3 Å²	77.3	72%	0.721	41%	0.406	S	S	*	.	H	α-helix	trans	-63	-31.2	-178.4	-63.9	176.5	75.2	131.4	3.9	112.8	A20 N21 F22 L26	A20-R24 WeakPolarHBondContact O-CG 3.48Å; A20-R24 PolarHBondContact O-N 3Å; N21-R24 WeakPolarHBondContact O-CB 3.46Å; N21-R24 PolarHBondContact O-N 3.5Å; F22-R24 PolarHBondContact O-N 2.96Å; R24-L26 VanDerWaalsContact C-N 3.34Å
25	L	88.5	Confident	88.2	Confident	123 Å²	123	71.3 Å²	71.3	64%	0.644	37%	0.373	S	S	*	.	H	α-helix	trans	-77.2	-20.5	176.8	-57.4	177.5	0	0	0	112.8	F22 R23	F22-L25 HydrophobicContact CD2-CD1 4.25Å; F22-L25 WeakPolarHBondContact O-CB 3.21Å; F22-L25 PolarHBondContact O-N 2.93Å; R23-L25 VanDerWaalsContact C-N 3.27Å; R23-L25 PolarHBondContact O-N 3.21Å
26	L	90.4	Very high	88.5	Confident	6 Å²	6	76 Å²	76	3%	0.031	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	4.1	178.7	-59.4	179.7	0	0	0	113.4	F22 R23 R24 V34 M35 L79 I82 I83 F86	F22-L26 HydrophobicContact CD1-CD1 3.88Å; F22-L26 HydrophobicContact CD1-CG 4.46Å; F22-L26 HydrophobicContact CE1-CD1 3.65Å; F22-L26 HydrophobicContact CE1-CG 4.28Å; F22-L26 HydrophobicContact CZ-CD1 4.38Å; F22-L26 HydrophobicContact CZ-CD2 4.49Å; F22-L26 PolarHBondContact O-N 3Å; R23-L26 PolarHBondContact O-N 2.92Å; R23-L26 VanDerWaalsContact O-N 3.09Å; R24-L26 VanDerWaalsContact C-N 3.34Å; L26-V34 HydrophobicContact CB-CG1 4.43Å; L26-V34 WeakPolarHBondContact O-CA 3.45Å; L26-M35 WeakPolarHBondContact O-CE 3.27Å; L26-M35 PolarHBondContact O-N 3.46Å; L26-L79 HydrophobicContact CD2-CD1 3.83Å; L26-I82 HydrophobicContact CD2-CG2 4.22Å; L26-I83 HydrophobicContact CB-CG1 4.3Å; L26-I83 HydrophobicContact CD1-CG1 4.11Å; L26-I83 HydrophobicContact CD2-CG1 3.87Å; L26-I83 HydrophobicContact CG-CG1 4.31Å; L26-F86 HydrophobicContact CD1-CB 3.67Å; L26-F86 HydrophobicContact CD1-CD1 3.54Å; L26-F86 HydrophobicContact CD1-CD2 4.04Å; L26-F86 HydrophobicContact CD1-CE1 4.19Å; L26-F86 HydrophobicContact CD1-CG 3.44Å; L26-F86 VanDerWaalsContact CD1-CG 3.44Å
27	L	91.8	Very high	88.8	Confident	52 Å²	52	75.5 Å²	75.5	27%	0.272	39%	0.391	S	S	.	.	B	Isolated β-bridge	trans	-78.8	139.6	176.2	-53.9	-176.4	0	0	0	111.6	R23 S29 S32 N33 V34	R23-L27 HydrophobicContact CG-CD2 4.43Å; R23-L27 WeakPolarHBondContact O-CD2 3.41Å; R23-L27 WeakPolarHBondContact O-CG 3.39Å; R23-L27 PolarHBondContact O-N 2.88Å; L27-S29 PolarHBondContact O-N 3.23Å; L27-S32 WeakPolarHBondContact CD2-O 3.35Å; L27-N33 CarbonylContact C-O 3.6Å; L27-N33 WeakPolarHBondContact CA-O 3.03Å; L27-V34 HydrophobicContact CD2-CG2 3.86Å
28	C	92.3	Very high	89.2	Confident	1 Å²	1	69.9 Å²	69.9	1%	0.007	37%	0.365	C	S	.	.			trans	-65.2	124.2	171.6	176.5	0	0	0	0	110.3	K30 C31 S32 N33 M35 C49 C52	C28-K30 PolarHBondContact O-N 3.01Å; C28-C31 WeakPolarHBondContact CB-SG 3.42Å; C28-C31 PolarHBondContact O-N 2.86Å; C28-S32 WeakPolarHBondContact O-CA 3.27Å; C28-S32 PolarHBondContact O-N 3.21Å; C28-N33 WeakPolarHBondContact CB-O 3.46Å; C28-N33 PolarHBondContact N-O 2.77Å; C28-M35 HydrophobicContact CB-CG 3.71Å; C28-C49 VanDerWaalsContact CB-SG 3.51Å; C28-C49 PolarHBondContact SG-N 3.26Å; C28-C49 VanDerWaalsContact SG-N 3.37Å; C28-C52 VanDerWaalsContact SG-SG 3.63Å
29	S	91.5	Very high	89.5	Confident	56 Å²	56	67.1 Å²	67.1	39%	0.392	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-1.4	-179.5	-44.9	0	0	0	0	115.1	L27 M47 V63	L27-S29 PolarHBondContact O-N 3.23Å; S29-M47 PolarHBondContact N-O 2.9Å; S29-M47 PolarHBondContact OG-N 2.97Å; S29-M47 PolarHBondContact OG-O 3.42Å; S29-V63 VanDerWaalsContact O-CG2 3.23Å; S29-V63 WeakPolarHBondContact O-CG2 3.07Å
30	K	90.3	Very high	89.4	Confident	98 Å²	98	68.8 Å²	68.8	43%	0.426	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.1	-42.3	178.2	-168.4	-157.9	-169.3	178.7	0	114.2	C28 L48 C52 A62 V63	C28-K30 PolarHBondContact O-N 3.01Å; K30-L48 HydrophobicContact CB-CD2 3.72Å; K30-C52 HydrophobicContact CB-CB 4.22Å; K30-C52 HydrophobicContact CD-CB 3.66Å; K30-C52 PolarHBondContact NZ-O 2.73Å; K30-A62 HydrophobicContact CB-CB 4.42Å; K30-A62 HydrophobicContact CD-CB 3.71Å; K30-A62 HydrophobicContact CG-CB 4.12Å; K30-V63 HydrophobicContact CB-CG2 4.49Å
31	C	90.9	Very high	89.2	Confident	48 Å²	48	66.7 Å²	66.7	32%	0.324	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.5	-0.9	-175.8	68.1	0	0	0	0	114.2	C28 N33	C28-C31 WeakPolarHBondContact CB-SG 3.42Å; C28-C31 PolarHBondContact O-N 2.86Å; C31-N33 PolarHBondContact O-N 3.15Å
32	S	89.7	Confident	88.3	Confident	87 Å²	87	66 Å²	66	61%	0.608	35%	0.349	S	S	*	.			trans	58.7	5.2	177.7	-53.4	0	0	0	0	116.2	L27 C28	L27-S32 WeakPolarHBondContact CD2-O 3.35Å; C28-S32 WeakPolarHBondContact O-CA 3.27Å; C28-S32 PolarHBondContact O-N 3.21Å
33	N	89.8	Confident	87.3	Confident	110 Å²	110	66.7 Å²	66.7	59%	0.588	36%	0.355	S	S	*	.	S	Bend	trans	-87.1	156.7	170.6	-64.9	-19	0	0	0	110.5	L27 C28 C31 M35	L27-N33 CarbonylContact C-O 3.6Å; L27-N33 WeakPolarHBondContact CA-O 3.03Å; C28-N33 WeakPolarHBondContact CB-O 3.46Å; C28-N33 PolarHBondContact N-O 2.77Å; C31-N33 PolarHBondContact O-N 3.15Å; N33-M35 PolarHBondContact O-N 2.9Å
34	V	89.6	Confident	87	Confident	32 Å²	32	62.6 Å²	62.6	19%	0.194	34%	0.343	C	S	.	.	B	Isolated β-bridge	trans	-55.5	136.4	170	-179.6	0	0	0	0	109.6	R23 L26 L27 E36 I83	R23-V34 HydrophobicContact CG-CG2 4.3Å; L26-V34 HydrophobicContact CB-CG1 4.43Å; L26-V34 WeakPolarHBondContact O-CA 3.45Å; L27-V34 HydrophobicContact CD2-CG2 3.86Å; V34-E36 PolarHBondContact O-N 3.12Å; V34-I83 HydrophobicContact CG1-CG2 3.72Å
35	M	92.2	Very high	86.8	Confident	3 Å²	3	62.7 Å²	62.7	2%	0.015	35%	0.352	C	S	.	.			trans	-72.3	110.4	-167.1	-72.2	177	-85.1	0	0	114.8	L26 C28 N33 P38 M47 L79 I83	L26-M35 WeakPolarHBondContact O-CE 3.27Å; L26-M35 PolarHBondContact O-N 3.46Å; C28-M35 HydrophobicContact CB-CG 3.71Å; N33-M35 PolarHBondContact O-N 2.9Å; M35-P38 HydrophobicContact CB-CB 3.92Å; M35-P38 HydrophobicContact SD-CB 4.16Å; M35-M47 HydrophobicContact CE-CB 3.59Å; M35-M47 HydrophobicContact CE-CG 4.48Å; M35-M47 HydrophobicContact CE-SD 4.21Å; M35-M47 HydrophobicContact SD-CB 3.42Å; M35-M47 WeakPolarHBondContact SD-CB 3.36Å; M35-L79 HydrophobicContact CE-CD2 4.21Å; M35-I83 HydrophobicContact CB-CD1 3.7Å; M35-I83 HydrophobicContact CE-CD1 4.48Å; M35-I83 WeakPolarHBondContact O-CD1 3.42Å
36	E	87.8	Confident	86.8	Confident	152 Å²	152	59.5 Å²	59.5	71%	0.71	33%	0.334	S	S	*	.	S	Bend	trans	-78.8	130.4	164.1	-65.8	-166.3	140.6	0	0	111.6	V34 C49 R50	V34-E36 PolarHBondContact O-N 3.12Å; E36-C49 VanDerWaalsContact O-CA 3.31Å; E36-C49 WeakPolarHBondContact O-CA 3.45Å; E36-C49 VanDerWaalsContact O-CB 3.31Å; E36-C49 WeakPolarHBondContact O-CB 3.48Å; E36-R50 PolarHBondContact O-N 3.29Å
37	E	90.4	Very high	86.7	Confident	94 Å²	94	62.9 Å²	62.9	44%	0.439	35%	0.35	S	S	.	.	S	Bend	trans	44.9	67.6	-172.9	-65.7	-165.3	154.4	0	0	111.5	R50 I75	E37-R50 HydrophobicContact CB-CB 3.82Å; E37-R50 VanDerWaalsContact O-CB 3.26Å; E37-R50 WeakPolarHBondContact O-CB 3.35Å; E37-R50 PolarHBondContact O-N 3.29Å; E37-R50 IonicContact OE1-NH1 2.78Å; E37-R50 WeakPolarHBondContact OE2-CD 3.45Å; E37-R50 IonicContact OE2-CZ 2.71Å; E37-R50 IonicContact OE2-NE 3.16Å; E37-R50 IonicContact OE2-NH1 3.88Å; E37-R50 PolarHBondContact OE2-NH1 3.4Å; E37-I75 HydrophobicContact CB-CD1 3.94Å; E37-I75 HydrophobicContact CB-CG1 4.11Å; E37-I75 HydrophobicContact CB-CG2 4.37Å; E37-I75 VanDerWaalsContact CD-CD1 3.48Å; E37-I75 HydrophobicContact CG-CD1 3.88Å
38	P	92	Very high	86.7	Confident	1 Å²	1	60.4 Å²	60.4	1%	0.006	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	141	-171	27.1	-37.3	0	0	0	112.7	M35 I75 N76 L79 I83	M35-P38 HydrophobicContact CB-CB 3.92Å; M35-P38 HydrophobicContact SD-CB 4.16Å; P38-I75 CarbonylContact O-C 3.59Å; P38-I75 WeakPolarHBondContact O-CA 3.12Å; P38-N76 PolarHBondContact O-N 3.08Å; P38-L79 HydrophobicContact CB-CB 4.37Å; P38-L79 HydrophobicContact CB-CD2 3.75Å; P38-L79 HydrophobicContact CB-CG 3.83Å; P38-L79 HydrophobicContact CG-CB 4.07Å; P38-L79 HydrophobicContact CG-CD2 4.34Å; P38-L79 HydrophobicContact CG-CG 3.91Å; P38-I83 HydrophobicContact CB-CD1 4.13Å; P38-I83 HydrophobicContact CG-CD1 4Å
39	V	89.9	Confident	86.7	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	138.2	-177.9	167.8	0	0	0	0	109.3	L41 L48 R50 A53 I73	V39-L41 HydrophobicContact CG1-CD2 3.9Å; V39-L41 HydrophobicContact CG1-CG 4.45Å; V39-L48 PolarHBondContact N-O 2.92Å; V39-L48 PolarHBondContact O-N 3.45Å; V39-L48 VanDerWaalsContact O-N 3.1Å; V39-R50 HydrophobicContact CG2-CB 3.83Å; V39-R50 HydrophobicContact CG2-CG 4.17Å; V39-A53 HydrophobicContact CG1-CB 4.37Å; V39-I73 HydrophobicContact CG1-CB 4.36Å; V39-I73 HydrophobicContact CG1-CG1 4.31Å; V39-I73 HydrophobicContact CG1-CG2 4.34Å; V39-I73 HydrophobicContact CG2-CG2 4.17Å
40	C	85.1	Confident	86.6	Confident	52 Å²	52	63.4 Å²	63.4	35%	0.351	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	119.8	175	-56.3	0	0	0	0	108.6	N76	C40-N76 PolarHBondContact SG-ND2 2.77Å
41	L	80.1	Confident	86.6	Confident	6 Å²	6	62.5 Å²	62.5	3%	0.031	35%	0.346	C	S	.	.			trans	-89.4	117.9	-179.5	-59.8	177	0	0	0	109.1	V39 M43 C44 L48 C61 A68 D72 I73	V39-L41 HydrophobicContact CG1-CD2 3.9Å; V39-L41 HydrophobicContact CG1-CG 4.45Å; L41-M43 PolarHBondContact O-N 2.66Å; L41-C44 PolarHBondContact O-N 3.35Å; L41-L48 HydrophobicContact CD1-CD1 3.93Å; L41-C61 HydrophobicContact CD1-CB 3.82Å; L41-A68 HydrophobicContact CD1-CB 3.85Å; L41-A68 HydrophobicContact CD2-CB 4Å; L41-A68 HydrophobicContact CG-CB 4.4Å; L41-D72 HydrophobicContact CD2-CB 3.94Å; L41-I73 HydrophobicContact CD2-CG1 3.82Å
42	G	66.7	Low	86.5	Confident	74 Å²	74	60.8 Å²	60.8	76%	0.763	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-9.4	-167.8	0	0	0	0	0	116.9
43	M	68.7	Low	86.3	Confident	102 Å²	102	56.8 Å²	56.8	50%	0.502	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.6	10.6	177.5	-61.4	-172.8	68	0	0	114.3	L41 P67	L41-M43 PolarHBondContact O-N 2.66Å; M43-P67 HydrophobicContact CE-CB 4.43Å; M43-P67 HydrophobicContact CE-CG 4.17Å; M43-P67 HydrophobicContact SD-CB 3.86Å; M43-P67 HydrophobicContact SD-CG 4.27Å
44	C	81.9	Confident	86	Confident	27 Å²	27	53 Å²	53	18%	0.182	29%	0.294	C	S	.	.	S	Bend	trans	-159.1	155.4	170.1	70	0	0	0	0	113.7	L41 H46 C64	L41-C44 PolarHBondContact O-N 3.35Å; C44-H46 PolarHBondContact O-N 2.72Å; C44-C64 VanDerWaalsContact CB-SG 3.58Å
45	E	84	Confident	85.6	Confident	192 Å²	192	56.3 Å²	56.3	90%	0.897	32%	0.316	S	S	*	.	S	Bend	trans	-74.9	-6.2	-178	-57.7	179.9	156.1	0	0	114.5	M47	E45-M47 PolarHBondContact O-N 3.43Å
46	H	87.4	Confident	84.8	Confident	57 Å²	57	59.2 Å²	59.2	26%	0.264	33%	0.327	S	S	.	.			trans	-70.3	119.9	-177.2	-62	87.5	0	0	0	111.9	C44 C64	C44-H46 PolarHBondContact O-N 2.72Å; H46-C64 PolarHBondContact CE1-SG 2.93Å; H46-C64 PolarHBondContact ND1-SG 3.47Å
47	M	88.4	Confident	84.2	Confident	76 Å²	76	53.1 Å²	53.1	37%	0.374	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	133.3	174.4	-49.7	-159.2	-149.7	0	0	110.3	S29 M35 E45 L79	S29-M47 PolarHBondContact N-O 2.9Å; S29-M47 PolarHBondContact OG-N 2.97Å; S29-M47 PolarHBondContact OG-O 3.42Å; M35-M47 HydrophobicContact CE-CB 3.59Å; M35-M47 HydrophobicContact CE-CG 4.48Å; M35-M47 HydrophobicContact CE-SD 4.21Å; M35-M47 HydrophobicContact SD-CB 3.42Å; M35-M47 WeakPolarHBondContact SD-CB 3.36Å; E45-M47 PolarHBondContact O-N 3.43Å; M47-L79 HydrophobicContact SD-CD2 3.45Å; M47-L79 WeakPolarHBondContact SD-CD2 3.45Å
48	L	91.3	Very high	83.1	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	145.8	-170	-64.5	174.2	0	0	0	111.6	K30 V39 L41 A53 A62 V63	K30-L48 HydrophobicContact CB-CD2 3.72Å; V39-L48 PolarHBondContact N-O 2.92Å; V39-L48 PolarHBondContact O-N 3.45Å; V39-L48 VanDerWaalsContact O-N 3.1Å; L41-L48 HydrophobicContact CD1-CD1 3.93Å; L48-A53 HydrophobicContact CB-CB 4.08Å; L48-A53 HydrophobicContact CD1-CB 3.95Å; L48-A62 HydrophobicContact CD1-CB 3.89Å; L48-A62 HydrophobicContact CD2-CB 4.43Å; L48-V63 HydrophobicContact CD2-CG2 4.29Å
49	C	92.7	Very high	82.1	Confident	4 Å²	4	51.5 Å²	51.5	3%	0.027	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	144.5	160.8	-50.9	0	0	0	0	109.4	C28 E36 S51 C52 A53	C28-C49 VanDerWaalsContact CB-SG 3.51Å; C28-C49 PolarHBondContact SG-N 3.26Å; C28-C49 VanDerWaalsContact SG-N 3.37Å; E36-C49 VanDerWaalsContact O-CA 3.31Å; E36-C49 WeakPolarHBondContact O-CA 3.45Å; E36-C49 VanDerWaalsContact O-CB 3.31Å; E36-C49 WeakPolarHBondContact O-CB 3.48Å; C49-S51 WeakPolarHBondContact CB-OG 3.41Å; C49-S51 PolarHBondContact O-N 3Å; C49-C52 HydrophobicContact CB-CB 4.14Å; C49-C52 WeakPolarHBondContact O-CA 3.34Å; C49-C52 WeakPolarHBondContact O-CB 3.18Å; C49-C52 PolarHBondContact O-N 3.01Å; C49-A53 PolarHBondContact O-N 3.39Å
50	R	89.5	Confident	81.4	Confident	116 Å²	116	51.7 Å²	51.7	44%	0.438	30%	0.3	S	S	.	.	H	α-helix	trans	-56.3	-33.1	171.8	-170.9	-165.7	-177.1	-164.9	-1.6	112.5	E36 E37 V39 C52 G54 I73	E36-R50 PolarHBondContact O-N 3.29Å; E37-R50 HydrophobicContact CB-CB 3.82Å; E37-R50 VanDerWaalsContact O-CB 3.26Å; E37-R50 WeakPolarHBondContact O-CB 3.35Å; E37-R50 PolarHBondContact O-N 3.29Å; E37-R50 IonicContact OE1-NH1 2.78Å; E37-R50 WeakPolarHBondContact OE2-CD 3.45Å; E37-R50 IonicContact OE2-CZ 2.71Å; E37-R50 IonicContact OE2-NE 3.16Å; E37-R50 IonicContact OE2-NH1 3.88Å; E37-R50 PolarHBondContact OE2-NH1 3.4Å; V39-R50 HydrophobicContact CG2-CB 3.83Å; V39-R50 HydrophobicContact CG2-CG 4.17Å; R50-C52 VanDerWaalsContact C-N 3.29Å; R50-C52 PolarHBondContact O-N 3.07Å; R50-G54 WeakPolarHBondContact O-CA 3.32Å; R50-G54 PolarHBondContact O-N 2.87Å; R50-I73 HydrophobicContact CG-CG2 4.15Å
51	S	89.8	Confident	81.4	Confident	80 Å²	80	49.2 Å²	49.2	56%	0.559	28%	0.283	S	S	*	.	H	α-helix	trans	-65.6	-27.3	172.6	55.4	0	0	0	0	113.6	C49 P55	C49-S51 WeakPolarHBondContact CB-OG 3.41Å; C49-S51 PolarHBondContact O-N 3Å; S51-P55 WeakPolarHBondContact O-CD 3.31Å; S51-P55 WeakPolarHBondContact O-CG 3.4Å
52	C	89.3	Confident	81.6	Confident	12 Å²	12	49.7 Å²	49.7	8%	0.081	29%	0.288	C	S	.	.	H	α-helix	trans	-86.2	-34.9	178.9	-72.4	0	0	0	0	113.4	C28 K30 C49 R50	C28-C52 VanDerWaalsContact SG-SG 3.63Å; K30-C52 HydrophobicContact CB-CB 4.22Å; K30-C52 HydrophobicContact CD-CB 3.66Å; K30-C52 PolarHBondContact NZ-O 2.73Å; C49-C52 HydrophobicContact CB-CB 4.14Å; C49-C52 WeakPolarHBondContact O-CA 3.34Å; C49-C52 WeakPolarHBondContact O-CB 3.18Å; C49-C52 PolarHBondContact O-N 3.01Å; R50-C52 VanDerWaalsContact C-N 3.29Å; R50-C52 PolarHBondContact O-N 3.07Å
53	A	86.7	Confident	82.5	Confident	3 Å²	3	49.2 Å²	49.2	3%	0.025	27%	0.27	C	S	.	.	H	α-helix	trans	-87.3	-41.3	178.7	0	0	0	0	0	113.5	V39 L48 C49 R56 A57 I73	V39-A53 HydrophobicContact CG1-CB 4.37Å; L48-A53 HydrophobicContact CB-CB 4.08Å; L48-A53 HydrophobicContact CD1-CB 3.95Å; C49-A53 PolarHBondContact O-N 3.39Å; A53-R56 CarbonylContact O-C 3.58Å; A53-R56 WeakPolarHBondContact O-CA 3.39Å; A53-R56 PolarHBondContact O-N 3.28Å; A53-A57 PolarHBondContact O-N 2.93Å; A53-I73 HydrophobicContact CB-CD1 4.4Å; A53-I73 HydrophobicContact CB-CG1 4.46Å
54	G	81.8	Confident	83.1	Confident	31 Å²	31	46.8 Å²	46.8	32%	0.32	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-52.9	-43.5	-174.2	0	0	0	0	0	115.6	R50 R56 A57	R50-G54 WeakPolarHBondContact O-CA 3.32Å; R50-G54 PolarHBondContact O-N 2.87Å; G54-R56 PolarHBondContact O-N 2.99Å; G54-R56 VanDerWaalsContact O-N 3.09Å; G54-A57 WeakPolarHBondContact O-CB 3.48Å; G54-A57 PolarHBondContact O-N 2.89Å; G54-A57 VanDerWaalsContact O-N 3.13Å
55	P	82.1	Confident	82.8	Confident	101 Å²	101	50.9 Å²	50.9	66%	0.656	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-64.3	-9.6	175.4	-24.4	35.6	0	0	0	115.1	S51	S51-P55 WeakPolarHBondContact O-CD 3.31Å; S51-P55 WeakPolarHBondContact O-CG 3.4Å
56	R	74.9	Confident	82.4	Confident	63 Å²	63	43.3 Å²	43.3	24%	0.238	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-116.7	19.4	176.5	-70.8	-168.9	58.2	162.9	3.4	112.9	A53 G54 G58 D59 G60 C61 L65	A53-R56 CarbonylContact O-C 3.58Å; A53-R56 WeakPolarHBondContact O-CA 3.39Å; A53-R56 PolarHBondContact O-N 3.28Å; G54-R56 PolarHBondContact O-N 2.99Å; G54-R56 VanDerWaalsContact O-N 3.09Å; R56-G58 PolarHBondContact O-N 2.91Å; R56-G58 VanDerWaalsContact O-N 3.16Å; R56-D59 HydrophobicContact CB-CB 4.32Å; R56-D59 PolarHBondContact NH2-O 3.32Å; R56-D59 PolarHBondContact O-N 2.72Å; R56-G60 PolarHBondContact NE-O 3.47Å; R56-G60 PolarHBondContact NH2-O 3.11Å; R56-G60 PolarHBondContact O-N 2.73Å; R56-C61 VanDerWaalsContact CZ-O 3.22Å; R56-C61 PolarHBondContact NH1-O 3Å; R56-C61 PolarHBondContact NH2-O 3.46Å; R56-L65 VanDerWaalsContact NH2-CD2 3.26Å
57	A	74.9	Confident	81.6	Confident	25 Å²	25	42.2 Å²	42.2	21%	0.207	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	117.5	179	0	0	0	0	0	111.8	A53 G54 D59 V70 I73	A53-A57 PolarHBondContact O-N 2.93Å; G54-A57 WeakPolarHBondContact O-CB 3.48Å; G54-A57 PolarHBondContact O-N 2.89Å; G54-A57 VanDerWaalsContact O-N 3.13Å; A57-D59 VanDerWaalsContact C-N 3.32Å; A57-V70 HydrophobicContact CB-CG2 3.71Å; A57-I73 HydrophobicContact CB-CD1 3.46Å; A57-I73 VanDerWaalsContact CB-CD1 3.46Å
58	G	68.2	Low	80.9	Confident	5 Å²	5	38.7 Å²	38.7	5%	0.052	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.9	-22.1	-171	0	0	0	0	0	114.8	R56 A68 R720 G721	R56-G58 PolarHBondContact O-N 2.91Å; R56-G58 VanDerWaalsContact O-N 3.16Å; G58-A68 WeakPolarHBondContact CA-O 3.46Å; G58-A68 PolarHBondContact N-O 2.98Å; G58-R720 CarbonylContact O-C 3.54Å; G58-R720 WeakPolarHBondContact O-CA 3.49Å; G58-G721 PolarHBondContact O-N 3.33Å
59	D	70.9	Confident	80	Confident	56 Å²	56	42.1 Å²	42.1	30%	0.299	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	0.9	-179.1	-73.1	5.3	0	0	0	113.4	R56 A57 R720	R56-D59 HydrophobicContact CB-CB 4.32Å; R56-D59 PolarHBondContact NH2-O 3.32Å; R56-D59 PolarHBondContact O-N 2.72Å; A57-D59 VanDerWaalsContact C-N 3.32Å; D59-R720 VanDerWaalsContact OD1-CD 3.24Å; D59-R720 WeakPolarHBondContact OD1-CD 3.39Å; D59-R720 WeakPolarHBondContact OD1-CG 3.45Å; D59-R720 IonicContact OD1-CZ 2.76Å; D59-R720 VanDerWaalsContact OD1-CZ 3.28Å; D59-R720 IonicContact OD1-NE 3.98Å; D59-R720 IonicContact OD1-NH1 2.78Å; D59-R720 PolarHBondContact OD1-NH1 3.17Å; D59-R720 IonicContact OD2-CZ 3.71Å; D59-R720 IonicContact OD2-NH1 2.67Å; D59-R720 PolarHBondContact OD2-NH1 2.66Å; D59-R720 IonicContact OD2-NH2 2.69Å
60	G	76.3	Confident	78.9	Confident	3 Å²	3	44.2 Å²	44.2	3%	0.031	26%	0.257	C	S	.	.			trans	92.4	169.7	179.2	0	0	0	0	0	115	R56 S66	R56-G60 PolarHBondContact NE-O 3.47Å; R56-G60 PolarHBondContact NH2-O 3.11Å; R56-G60 PolarHBondContact O-N 2.73Å; G60-S66 CarbonylContact C-O 3.51Å; G60-S66 VanDerWaalsContact CA-O 3.24Å; G60-S66 WeakPolarHBondContact CA-O 3.43Å
61	C	83.8	Confident	78	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	25%	0.251	C	S	.	.			trans	-54.5	139.3	-175.9	177.7	0	0	0	0	111.8	L41 R56 V63 L65 S66	L41-C61 HydrophobicContact CD1-CB 3.82Å; R56-C61 VanDerWaalsContact CZ-O 3.22Å; R56-C61 PolarHBondContact NH1-O 3Å; R56-C61 PolarHBondContact NH2-O 3.46Å; C61-V63 PolarHBondContact O-N 3.39Å; C61-V63 VanDerWaalsContact O-N 3.13Å; C61-L65 WeakPolarHBondContact O-CA 3.2Å; C61-L65 PolarHBondContact O-N 2.87Å; C61-S66 PolarHBondContact N-O 3.2Å
62	A	83.9	Confident	77.2	Confident	16 Å²	16	40 Å²	40	13%	0.132	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-16	-177.2	0	0	0	0	0	114.6	K30 L48	K30-A62 HydrophobicContact CB-CB 4.42Å; K30-A62 HydrophobicContact CD-CB 3.71Å; K30-A62 HydrophobicContact CG-CB 4.12Å; L48-A62 HydrophobicContact CD1-CB 3.89Å; L48-A62 HydrophobicContact CD2-CB 4.43Å
63	V	85.1	Confident	76.7	Confident	64 Å²	64	40.6 Å²	40.6	39%	0.388	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-68.1	-178.6	-172.9	0	0	0	0	110.8	S29 K30 L48 C61	S29-V63 VanDerWaalsContact O-CG2 3.23Å; S29-V63 WeakPolarHBondContact O-CG2 3.07Å; K30-V63 HydrophobicContact CB-CG2 4.49Å; L48-V63 HydrophobicContact CD2-CG2 4.29Å; C61-V63 PolarHBondContact O-N 3.39Å; C61-V63 VanDerWaalsContact O-N 3.13Å
64	C	82.3	Confident	76.6	Confident	51 Å²	51	47 Å²	47	35%	0.345	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	5.8	-172.8	59.6	0	0	0	0	115.4	C44 H46 S66	C44-C64 VanDerWaalsContact CB-SG 3.58Å; H46-C64 PolarHBondContact CE1-SG 2.93Å; H46-C64 PolarHBondContact ND1-SG 3.47Å; C64-S66 PolarHBondContact O-N 3.42Å; C64-S66 PolarHBondContact SG-OG 3.09Å; C64-S66 VanDerWaalsContact SG-OG 3.36Å
65	L	76.3	Confident	76.9	Confident	113 Å²	113	48.2 Å²	48.2	59%	0.592	26%	0.264	S	S	*	.			trans	62.8	-7.1	-178.6	-44.1	179.9	0	0	0	116.6	R56 C61	R56-L65 VanDerWaalsContact NH2-CD2 3.26Å; C61-L65 WeakPolarHBondContact O-CA 3.2Å; C61-L65 PolarHBondContact O-N 2.87Å
66	S	74.9	Confident	77.2	Confident	34 Å²	34	46 Å²	46	24%	0.238	25%	0.247	C	C	.	.			trans	-44.4	139.3	176.8	-62.6	0	0	0	0	112.7	G60 C61 C64 A68	G60-S66 CarbonylContact C-O 3.51Å; G60-S66 VanDerWaalsContact CA-O 3.24Å; G60-S66 WeakPolarHBondContact CA-O 3.43Å; C61-S66 PolarHBondContact N-O 3.2Å; C64-S66 PolarHBondContact O-N 3.42Å; C64-S66 PolarHBondContact SG-OG 3.09Å; C64-S66 VanDerWaalsContact SG-OG 3.36Å; S66-A68 PolarHBondContact O-N 3.37Å
67	P	71.6	Confident	77.9	Confident	33 Å²	33	52.9 Å²	52.9	21%	0.214	27%	0.272	C	S	.	.			trans	-54	137.4	-174.5	-25.7	34.4	0	0	0	112.8	M43	M43-P67 HydrophobicContact CE-CB 4.43Å; M43-P67 HydrophobicContact CE-CG 4.17Å; M43-P67 HydrophobicContact SD-CB 3.86Å; M43-P67 HydrophobicContact SD-CG 4.27Å
68	A	72.1	Confident	78.6	Confident	3 Å²	3	58.6 Å²	58.6	3%	0.025	30%	0.295	C	S	.	.			trans	-138.4	111	-173.2	0	0	0	0	0	109.6	L41 G58 S66	L41-A68 HydrophobicContact CD1-CB 3.85Å; L41-A68 HydrophobicContact CD2-CB 4Å; L41-A68 HydrophobicContact CG-CB 4.4Å; G58-A68 WeakPolarHBondContact CA-O 3.46Å; G58-A68 PolarHBondContact N-O 2.98Å; S66-A68 PolarHBondContact O-N 3.37Å
69	W	73.3	Confident	79.6	Confident	72 Å²	72	59.2 Å²	59.2	27%	0.273	30%	0.297	S	S	.	.			trans	-86.2	157.1	-178.7	-55.7	-6.1	0	0	0	109.8	K71 D72 I73	W69-K71 PolarHBondContact O-N 3.01Å; W69-D72 WeakPolarHBondContact CB-OD2 3.35Å; W69-D72 PolarHBondContact N-OD2 2.86Å; W69-D72 WeakPolarHBondContact O-CB 3.34Å; W69-D72 PolarHBondContact O-N 3.16Å; W69-I73 PolarHBondContact O-N 2.85Å
70	V	70.3	Confident	80.6	Confident	48 Å²	48	58.7 Å²	58.7	29%	0.291	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-63.7	-31	177.1	173.5	0	0	0	0	110.1	A57 D72 I73	A57-V70 HydrophobicContact CB-CG2 3.71Å; V70-D72 PolarHBondContact O-N 3.29Å; V70-I73 PolarHBondContact O-N 2.96Å; V70-I73 VanDerWaalsContact O-N 3.11Å
71	K	69.1	Low	81.3	Confident	72 Å²	72	61.7 Å²	61.7	31%	0.313	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-61.9	-25.9	171.9	-69.5	-179	175.5	176.6	0	114	W69 I73 Q74 D680 Q683 T684	W69-K71 PolarHBondContact O-N 3.01Å; K71-I73 VanDerWaalsContact C-N 3.32Å; K71-Q74 WeakPolarHBondContact O-CG 3.21Å; K71-Q74 PolarHBondContact O-NE2 3.05Å; K71-D680 VanDerWaalsContact CE-OD1 3.26Å; K71-D680 WeakPolarHBondContact CE-OD1 3.43Å; K71-Q683 PolarHBondContact NZ-O 3.12Å; K71-T684 VanDerWaalsContact NZ-CG2 3.26Å
72	D	72.6	Confident	81.6	Confident	35 Å²	35	65.3 Å²	65.3	19%	0.187	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-80.9	-21.7	177.2	-46.1	-23.8	0	0	0	110.6	L41 W69 V70 Q74	L41-D72 HydrophobicContact CD2-CB 3.94Å; W69-D72 WeakPolarHBondContact CB-OD2 3.35Å; W69-D72 PolarHBondContact N-OD2 2.86Å; W69-D72 WeakPolarHBondContact O-CB 3.34Å; W69-D72 PolarHBondContact O-N 3.16Å; V70-D72 PolarHBondContact O-N 3.29Å; D72-Q74 PolarHBondContact O-N 2.99Å
73	I	79.9	Confident	82	Confident	24 Å²	24	65.2 Å²	65.2	12%	0.123	33%	0.334	C	S	.	.			trans	-83.1	47.9	176.8	-53.3	172.5	0	0	0	109.9	V39 L41 R50 A53 A57 W69 V70 K71	V39-I73 HydrophobicContact CG1-CB 4.36Å; V39-I73 HydrophobicContact CG1-CG1 4.31Å; V39-I73 HydrophobicContact CG1-CG2 4.34Å; V39-I73 HydrophobicContact CG2-CG2 4.17Å; L41-I73 HydrophobicContact CD2-CG1 3.82Å; R50-I73 HydrophobicContact CG-CG2 4.15Å; A53-I73 HydrophobicContact CB-CD1 4.4Å; A53-I73 HydrophobicContact CB-CG1 4.46Å; A57-I73 HydrophobicContact CB-CD1 3.46Å; A57-I73 VanDerWaalsContact CB-CD1 3.46Å; W69-I73 PolarHBondContact O-N 2.85Å; V70-I73 PolarHBondContact O-N 2.96Å; V70-I73 VanDerWaalsContact O-N 3.11Å; K71-I73 VanDerWaalsContact C-N 3.32Å
74	Q	84	Confident	82.2	Confident	137 Å²	137	67.4 Å²	67.4	64%	0.64	34%	0.34	S	S	*	.			trans	-94.5	140.6	165.7	-75.4	179.9	73.2	0	0	109.4	K71 D72 N76	K71-Q74 WeakPolarHBondContact O-CG 3.21Å; K71-Q74 PolarHBondContact O-NE2 3.05Å; D72-Q74 PolarHBondContact O-N 2.99Å; Q74-N76 PolarHBondContact O-N 2.79Å
75	I	87.4	Confident	82.5	Confident	58 Å²	58	70.7 Å²	70.7	30%	0.297	35%	0.353	S	S	.	.	B	Isolated β-bridge	trans	-68.9	118	178.3	-55.7	172.1	0	0	0	108.3	E37 P38 R77	E37-I75 HydrophobicContact CB-CD1 3.94Å; E37-I75 HydrophobicContact CB-CG1 4.11Å; E37-I75 HydrophobicContact CB-CG2 4.37Å; E37-I75 VanDerWaalsContact CD-CD1 3.48Å; E37-I75 HydrophobicContact CG-CD1 3.88Å; P38-I75 CarbonylContact O-C 3.59Å; P38-I75 WeakPolarHBondContact O-CA 3.12Å; I75-R77 PolarHBondContact O-N 3.45Å
76	N	88.7	Confident	83.1	Confident	55 Å²	55	65.7 Å²	65.7	29%	0.294	33%	0.327	S	S	.	.			trans	-68.3	97	172.5	-178.9	-16.9	0	0	0	108.4	P38 C40 Q74 Q78 L79 S80	P38-N76 PolarHBondContact O-N 3.08Å; C40-N76 PolarHBondContact SG-ND2 2.77Å; Q74-N76 PolarHBondContact O-N 2.79Å; N76-Q78 VanDerWaalsContact C-N 3.28Å; N76-Q78 PolarHBondContact O-N 3.47Å; N76-Q78 PolarHBondContact OD1-N 2.82Å; N76-Q78 VanDerWaalsContact OD1-N 3.17Å; N76-L79 HydrophobicContact CB-CB 4.02Å; N76-L79 PolarHBondContact O-N 3.39Å; N76-L79 PolarHBondContact OD1-N 2.83Å; N76-L79 VanDerWaalsContact OD1-N 3.11Å; N76-S80 WeakPolarHBondContact O-CB 3.45Å; N76-S80 PolarHBondContact O-N 3.34Å
77	R	90.4	Very high	83.6	Confident	207 Å²	207	66.5 Å²	66.5	78%	0.781	33%	0.332	S	S	*	.	H	α-helix	trans	-62.5	-33	-176.3	-65.6	-173.4	-179.2	-171.4	0.9	113	I75 S80 S81	I75-R77 PolarHBondContact O-N 3.45Å; R77-S80 PolarHBondContact O-N 3.43Å; R77-S81 PolarHBondContact O-N 3.17Å; R77-S81 PolarHBondContact O-OG 3.33Å; R77-S81 VanDerWaalsContact O-OG 3.07Å
78	Q	89.4	Confident	84.4	Confident	144 Å²	144	68.4 Å²	68.4	67%	0.673	34%	0.341	S	S	*	.	H	α-helix	trans	-67.3	-49.6	178.3	-59.1	-62.5	-5.8	0	0	110.2	N76 S80 S81 I82	N76-Q78 VanDerWaalsContact C-N 3.28Å; N76-Q78 PolarHBondContact O-N 3.47Å; N76-Q78 PolarHBondContact OD1-N 2.82Å; N76-Q78 VanDerWaalsContact OD1-N 3.17Å; Q78-S80 VanDerWaalsContact C-N 3.3Å; Q78-S80 PolarHBondContact O-N 3.33Å; Q78-S81 WeakPolarHBondContact O-CB 3.06Å; Q78-S81 PolarHBondContact O-N 2.99Å; Q78-S81 VanDerWaalsContact O-N 3.09Å; Q78-I82 WeakPolarHBondContact O-CG1 3.38Å; Q78-I82 PolarHBondContact O-N 3.45Å
79	L	89.2	Confident	85	Confident	18 Å²	18	71.9 Å²	71.9	9%	0.094	36%	0.359	C	S	.	.	H	α-helix	trans	-62.5	-37.3	175.1	-175.6	53.9	0	0	0	111.9	L26 M35 P38 M47 N76 S81 I82 I83	L26-L79 HydrophobicContact CD2-CD1 3.83Å; M35-L79 HydrophobicContact CE-CD2 4.21Å; P38-L79 HydrophobicContact CB-CB 4.37Å; P38-L79 HydrophobicContact CB-CD2 3.75Å; P38-L79 HydrophobicContact CB-CG 3.83Å; P38-L79 HydrophobicContact CG-CB 4.07Å; P38-L79 HydrophobicContact CG-CD2 4.34Å; P38-L79 HydrophobicContact CG-CG 3.91Å; M47-L79 HydrophobicContact SD-CD2 3.45Å; M47-L79 WeakPolarHBondContact SD-CD2 3.45Å; N76-L79 HydrophobicContact CB-CB 4.02Å; N76-L79 PolarHBondContact O-N 3.39Å; N76-L79 PolarHBondContact OD1-N 2.83Å; N76-L79 VanDerWaalsContact OD1-N 3.11Å; L79-S81 VanDerWaalsContact C-N 3.29Å; L79-S81 PolarHBondContact O-N 3.09Å; L79-I82 PolarHBondContact O-N 3.5Å; L79-I83 HydrophobicContact CD1-CD1 4.31Å; L79-I83 HydrophobicContact CD1-CG1 4.37Å; L79-I83 HydrophobicContact CG-CD1 4.19Å; L79-I83 VanDerWaalsContact O-CG1 3.3Å; L79-I83 WeakPolarHBondContact O-CG1 3.28Å; L79-I83 PolarHBondContact O-N 2.89Å
80	S	91.2	Very high	85.5	Confident	45 Å²	45	69.9 Å²	69.9	32%	0.315	35%	0.352	S	S	.	.	H	α-helix	trans	-64.3	-31.3	173.8	-168.4	0	0	0	0	113.2	N76 R77 Q78 Q84	N76-S80 WeakPolarHBondContact O-CB 3.45Å; N76-S80 PolarHBondContact O-N 3.34Å; R77-S80 PolarHBondContact O-N 3.43Å; Q78-S80 VanDerWaalsContact C-N 3.3Å; Q78-S80 PolarHBondContact O-N 3.33Å; S80-Q84 PolarHBondContact O-N 3.13Å
81	S	91.9	Very high	86.2	Confident	66 Å²	66	71 Å²	71	46%	0.462	36%	0.362	S	S	.	.	H	α-helix	trans	-75.1	-40.2	173.4	-64.7	0	0	0	0	111.9	R77 Q78 L79 I83 Q84 L85	R77-S81 PolarHBondContact O-N 3.17Å; R77-S81 PolarHBondContact O-OG 3.33Å; R77-S81 VanDerWaalsContact O-OG 3.07Å; Q78-S81 WeakPolarHBondContact O-CB 3.06Å; Q78-S81 PolarHBondContact O-N 2.99Å; Q78-S81 VanDerWaalsContact O-N 3.09Å; L79-S81 VanDerWaalsContact C-N 3.29Å; L79-S81 PolarHBondContact O-N 3.09Å; S81-I83 VanDerWaalsContact C-N 3.34Å; S81-I83 PolarHBondContact O-N 3.31Å; S81-Q84 PolarHBondContact O-N 2.93Å; S81-L85 WeakPolarHBondContact O-CG 3.36Å; S81-L85 PolarHBondContact O-N 3.22Å
82	I	90.9	Very high	86.8	Confident	76 Å²	76	74.2 Å²	74.2	39%	0.39	38%	0.382	S	S	.	.	H	α-helix	trans	-60.4	-43.9	174.4	-68.2	165.7	0	0	0	110.7	F22 L26 Q78 L79 L85 F86	F22-I82 HydrophobicContact CE1-CG2 4.04Å; F22-I82 HydrophobicContact CZ-CG2 3.73Å; L26-I82 HydrophobicContact CD2-CG2 4.22Å; Q78-I82 WeakPolarHBondContact O-CG1 3.38Å; Q78-I82 PolarHBondContact O-N 3.45Å; L79-I82 PolarHBondContact O-N 3.5Å; I82-L85 PolarHBondContact O-N 3.22Å; I82-F86 VanDerWaalsContact O-CB 3.3Å; I82-F86 WeakPolarHBondContact O-CB 3.32Å; I82-F86 PolarHBondContact O-N 3.34Å
83	I	90.4	Very high	86.9	Confident	15 Å²	15	73.8 Å²	73.8	8%	0.077	38%	0.38	C	S	.	.	H	α-helix	trans	-65.2	-39.7	178.2	-69.3	173.4	0	0	0	111.7	L26 V34 M35 P38 L79 S81 F86 S87	L26-I83 HydrophobicContact CB-CG1 4.3Å; L26-I83 HydrophobicContact CD1-CG1 4.11Å; L26-I83 HydrophobicContact CD2-CG1 3.87Å; L26-I83 HydrophobicContact CG-CG1 4.31Å; V34-I83 HydrophobicContact CG1-CG2 3.72Å; M35-I83 HydrophobicContact CB-CD1 3.7Å; M35-I83 HydrophobicContact CE-CD1 4.48Å; M35-I83 WeakPolarHBondContact O-CD1 3.42Å; P38-I83 HydrophobicContact CB-CD1 4.13Å; P38-I83 HydrophobicContact CG-CD1 4Å; L79-I83 HydrophobicContact CD1-CD1 4.31Å; L79-I83 HydrophobicContact CD1-CG1 4.37Å; L79-I83 HydrophobicContact CG-CD1 4.19Å; L79-I83 VanDerWaalsContact O-CG1 3.3Å; L79-I83 WeakPolarHBondContact O-CG1 3.28Å; L79-I83 PolarHBondContact O-N 2.89Å; S81-I83 VanDerWaalsContact C-N 3.34Å; S81-I83 PolarHBondContact O-N 3.31Å; I83-F86 WeakPolarHBondContact O-CB 3.45Å; I83-F86 PolarHBondContact O-N 3.16Å; I83-S87 PolarHBondContact O-N 3Å; I83-S87 PolarHBondContact O-OG 3.43Å
84	Q	89.3	Confident	86.5	Confident	110 Å²	110	77.5 Å²	77.5	51%	0.514	40%	0.4	S	S	.	.	H	α-helix	trans	-62	-51.3	175.3	-175.7	64.5	63.6	0	0	111.3	S80 S81 F86 S87 D88	S80-Q84 PolarHBondContact O-N 3.13Å; S81-Q84 PolarHBondContact O-N 2.93Å; Q84-F86 PolarHBondContact O-N 3.21Å; Q84-S87 PolarHBondContact O-N 3.02Å; Q84-S87 VanDerWaalsContact O-N 3.12Å; Q84-D88 PolarHBondContact NE2-OD1 2.92Å; Q84-D88 PolarHBondContact O-N 3.25Å
85	L	88.6	Confident	85.5	Confident	120 Å²	120	75.6 Å²	75.6	63%	0.628	40%	0.399	S	S	*	.	H	α-helix	trans	-58.6	-35.2	177.6	-69.2	169.6	0	0	0	112.1	S81 I82 L89	S81-L85 WeakPolarHBondContact O-CG 3.36Å; S81-L85 PolarHBondContact O-N 3.22Å; I82-L85 PolarHBondContact O-N 3.22Å; L85-L89 WeakPolarHBondContact O-CB 3.41Å; L85-L89 PolarHBondContact O-N 3.29Å
86	F	89.1	Confident	83.7	Confident	8 Å²	8	79.1 Å²	79.1	4%	0.035	42%	0.423	C	S	.	.	H	α-helix	trans	-67.3	-47.1	174.1	172.6	-102	0	0	0	112.6	V19 F22 R23 L26 I82 I83 Q84 D88 L89 E90	V19-F86 HydrophobicContact CG1-CE2 3.84Å; V19-F86 HydrophobicContact CG1-CZ 4.38Å; F22-F86 AromaticContact CD1-CD2 3.54Å; F22-F86 HydrophobicContact CD1-CD2 3.54Å; F22-F86 AromaticContact CD1-CE2 3.97Å; F22-F86 HydrophobicContact CD1-CE2 3.97Å; F22-F86 HydrophobicContact CD1-CG 4.26Å; F22-F86 HydrophobicContact CE1-CB 4.35Å; F22-F86 HydrophobicContact CE1-CD2 4.1Å; F22-F86 HydrophobicContact CE1-CG 4.45Å; R23-F86 HydrophobicContact CB-CE1 4.25Å; R23-F86 HydrophobicContact CB-CE2 4.33Å; R23-F86 HydrophobicContact CB-CZ 3.52Å; R23-F86 HydrophobicContact CG-CE1 4Å; R23-F86 HydrophobicContact CG-CZ 3.71Å; L26-F86 HydrophobicContact CD1-CB 3.67Å; L26-F86 HydrophobicContact CD1-CD1 3.54Å; L26-F86 HydrophobicContact CD1-CD2 4.04Å; L26-F86 HydrophobicContact CD1-CE1 4.19Å; L26-F86 HydrophobicContact CD1-CG 3.44Å; L26-F86 VanDerWaalsContact CD1-CG 3.44Å; I82-F86 VanDerWaalsContact O-CB 3.3Å; I82-F86 WeakPolarHBondContact O-CB 3.32Å; I82-F86 PolarHBondContact O-N 3.34Å; I83-F86 WeakPolarHBondContact O-CB 3.45Å; I83-F86 PolarHBondContact O-N 3.16Å; Q84-F86 PolarHBondContact O-N 3.21Å; F86-D88 VanDerWaalsContact C-N 3.31Å; F86-D88 PolarHBondContact O-N 3.03Å; F86-L89 CarbonylContact O-C 3.5Å; F86-L89 PolarHBondContact O-N 3.14Å; F86-L89 VanDerWaalsContact O-N 3.17Å; F86-E90 HydrophobicContact CD1-CG 4.31Å; F86-E90 HydrophobicContact CD2-CG 4.39Å; F86-E90 HydrophobicContact CE1-CG 3.72Å; F86-E90 WeakPolarHBondContact CE1-OE2 3.26Å; F86-E90 HydrophobicContact CE2-CG 3.86Å; F86-E90 HydrophobicContact CZ-CG 3.46Å; F86-E90 VanDerWaalsContact CZ-CG 3.46Å; F86-E90 WeakPolarHBondContact CZ-OE1 3.3Å; F86-E90 PolarHBondContact O-N 2.85Å
87	S	86.6	Confident	81.6	Confident	50 Å²	50	85.4 Å²	85.4	35%	0.35	45%	0.451	S	S	.	.	H	α-helix	trans	-62.5	-38.1	176.3	-66.1	0	0	0	0	112.4	I83 Q84 L89 E90 S91	I83-S87 PolarHBondContact O-N 3Å; I83-S87 PolarHBondContact O-OG 3.43Å; Q84-S87 PolarHBondContact O-N 3.02Å; Q84-S87 VanDerWaalsContact O-N 3.12Å; S87-L89 VanDerWaalsContact C-N 3.33Å; S87-E90 PolarHBondContact O-N 3.42Å; S87-S91 PolarHBondContact O-N 3.38Å; S87-S91 VanDerWaalsContact O-N 3.14Å
88	D	86.8	Confident	79.2	Confident	73 Å²	73	84.2 Å²	84.2	39%	0.39	46%	0.455	S	S	.	.	H	α-helix	trans	-61.8	-43.7	174.1	-58.6	-21.2	0	0	0	110	Q84 F86 S91 L92	Q84-D88 PolarHBondContact NE2-OD1 2.92Å; Q84-D88 PolarHBondContact O-N 3.25Å; F86-D88 VanDerWaalsContact C-N 3.31Å; F86-D88 PolarHBondContact O-N 3.03Å; D88-S91 PolarHBondContact O-N 3.17Å; D88-S91 PolarHBondContact O-OG 3.18Å; D88-L92 WeakPolarHBondContact O-CG 3.44Å; D88-L92 PolarHBondContact O-N 3.23Å
89	L	84.8	Confident	76.7	Confident	77 Å²	77	81.7 Å²	81.7	40%	0.403	46%	0.458	S	S	.	.	H	α-helix	trans	-71	-35.1	178	-174.5	142.8	0	0	0	114	V19 L85 F86 S87 S91 L92 L93	V19-L89 HydrophobicContact CG1-CD2 4.26Å; V19-L89 HydrophobicContact CG2-CD2 3.42Å; V19-L89 VanDerWaalsContact CG2-CD2 3.42Å; L85-L89 WeakPolarHBondContact O-CB 3.41Å; L85-L89 PolarHBondContact O-N 3.29Å; F86-L89 CarbonylContact O-C 3.5Å; F86-L89 PolarHBondContact O-N 3.14Å; F86-L89 VanDerWaalsContact O-N 3.17Å; S87-L89 VanDerWaalsContact C-N 3.33Å; L89-S91 VanDerWaalsContact C-N 3.27Å; L89-S91 PolarHBondContact O-N 2.91Å; L89-L92 PolarHBondContact O-N 3.21Å; L89-L93 HydrophobicContact CD2-CD1 3.66Å; L89-L93 HydrophobicContact CG-CD1 4.42Å; L89-L93 PolarHBondContact O-N 3.41Å
90	E	84.3	Confident	74	Confident	30 Å²	30	88.8 Å²	88.8	14%	0.14	50%	0.496	C	S	.	.	H	α-helix	trans	-62.4	-35.8	171	-75.7	-156.9	131.8	0	0	112.1	V19 R23 F86 S87 L92 L93 N94	V19-E90 HydrophobicContact CG1-CG 3.98Å; R23-E90 WeakPolarHBondContact CD-OE1 3.49Å; R23-E90 IonicContact CZ-OE1 3.61Å; R23-E90 IonicContact CZ-OE2 2.67Å; R23-E90 IonicContact NE-OE1 3.86Å; R23-E90 IonicContact NH1-OE1 3.4Å; R23-E90 PolarHBondContact NH1-OE1 2.97Å; R23-E90 IonicContact NH1-OE2 3.74Å; R23-E90 PolarHBondContact NH1-OE2 2.98Å; F86-E90 HydrophobicContact CD1-CG 4.31Å; F86-E90 HydrophobicContact CD2-CG 4.39Å; F86-E90 HydrophobicContact CE1-CG 3.72Å; F86-E90 WeakPolarHBondContact CE1-OE2 3.26Å; F86-E90 HydrophobicContact CE2-CG 3.86Å; F86-E90 HydrophobicContact CZ-CG 3.46Å; F86-E90 VanDerWaalsContact CZ-CG 3.46Å; F86-E90 WeakPolarHBondContact CZ-OE1 3.3Å; F86-E90 PolarHBondContact O-N 2.85Å; S87-E90 PolarHBondContact O-N 3.42Å; E90-L92 VanDerWaalsContact C-N 3.34Å; E90-L93 PolarHBondContact O-N 3.5Å; E90-N94 PolarHBondContact O-N 3.49Å; E90-N94 PolarHBondContact O-ND2 2.79Å
91	S	85.1	Confident	71.3	Confident	72 Å²	72	92.2 Å²	92.2	50%	0.503	52%	0.52	S	S	.	.	H	α-helix	trans	-69.9	-30.1	178.1	80.5	0	0	0	0	113.1	S87 D88 L89 N94	S87-S91 PolarHBondContact O-N 3.38Å; S87-S91 VanDerWaalsContact O-N 3.14Å; D88-S91 PolarHBondContact O-N 3.17Å; D88-S91 PolarHBondContact O-OG 3.18Å; L89-S91 VanDerWaalsContact C-N 3.27Å; L89-S91 PolarHBondContact O-N 2.91Å; S91-N94 CarbonylContact O-C 3.57Å
92	L	81.8	Confident	68.7	Low	139 Å²	139	94.3 Å²	94.3	73%	0.728	54%	0.535	S	S	*	.	H	α-helix	trans	-77	-29.1	175.1	-68.2	171.6	0	0	0	112.8	D88 L89 E90	D88-L92 WeakPolarHBondContact O-CG 3.44Å; D88-L92 PolarHBondContact O-N 3.23Å; L89-L92 PolarHBondContact O-N 3.21Å; E90-L92 VanDerWaalsContact C-N 3.34Å
93	L	74.8	Confident	66.2	Low	26 Å²	26	97.2 Å²	97.2	14%	0.136	56%	0.556	C	S	.	*	H	α-helix	trans	-89.4	-17.6	179.6	-70.9	172	0	0	0	114	W12 T15 V19 L89 E90 P95	W12-L93 HydrophobicContact CD2-CD2 4.27Å; W12-L93 HydrophobicContact CE3-CD2 3.63Å; W12-L93 HydrophobicContact CZ3-CD2 4.12Å; T15-L93 HydrophobicContact CG2-CD1 4.18Å; T15-L93 HydrophobicContact CG2-CD2 4.46Å; V19-L93 HydrophobicContact CB-CD1 4.28Å; V19-L93 HydrophobicContact CG1-CD1 4.26Å; V19-L93 HydrophobicContact CG2-CD1 3.69Å; L89-L93 HydrophobicContact CD2-CD1 3.66Å; L89-L93 HydrophobicContact CG-CD1 4.42Å; L89-L93 PolarHBondContact O-N 3.41Å; E90-L93 PolarHBondContact O-N 3.5Å; L93-P95 VanDerWaalsContact C-CD 3.41Å
94	N	71.9	Confident	63.5	Low	102 Å²	102	100.7 Å²	100.7	55%	0.545	59%	0.587	S	S	.	*	S	Bend	trans	-127.1	63.1	172.5	-51.5	-81	0	0	0	109.4	E90 S91 T96	E90-N94 PolarHBondContact O-N 3.49Å; E90-N94 PolarHBondContact O-ND2 2.79Å; S91-N94 CarbonylContact O-C 3.57Å; N94-T96 PolarHBondContact O-N 3.44Å; N94-T96 VanDerWaalsContact O-N 3.13Å
95	P	62.5	Low	60.8	Low	96 Å²	96	104 Å²	104	62%	0.623	60%	0.602	S	S	*	*			trans	-61.1	118.8	177.1	27.4	-33.8	0	0	0	108.7	L93 E97	L93-P95 VanDerWaalsContact C-CD 3.41Å; P95-E97 PolarHBondContact O-N 2.74Å
96	T	49.8	Very low	58.2	Low	132 Å²	132	104.7 Å²	104.7	81%	0.81	61%	0.611	S	S	*	*			trans	-64.9	120	179.5	-43.1	0	0	0	0	109.2	N94 Q98	N94-T96 PolarHBondContact O-N 3.44Å; N94-T96 VanDerWaalsContact O-N 3.13Å; T96-Q98 PolarHBondContact O-N 3.26Å
97	E	44.2	Very low	55.4	Low	188 Å²	188	109.7 Å²	109.7	88%	0.879	65%	0.647	S	S	*	*			trans	-60.7	106.7	-178.5	-66.1	-177.1	157.9	0	0	111	P95 A99	P95-E97 PolarHBondContact O-N 2.74Å; E97-A99 PolarHBondContact O-N 3.2Å
98	Q	40.6	Very low	52.7	Low	182 Å²	182	112.4 Å²	112.4	85%	0.85	67%	0.666	S	S	*	*			trans	-79.7	93.6	168	-70.9	-169.9	-48.4	0	0	108.5	T96 D100	T96-Q98 PolarHBondContact O-N 3.26Å; Q98-D100 PolarHBondContact O-N 2.93Å; Q98-D100 VanDerWaalsContact O-N 3.14Å
99	A	36	Very low	49.9	Very low	90 Å²	90	118.5 Å²	118.5	74%	0.744	69%	0.692	S	S	*	*			trans	-74.8	96	174.1	0	0	0	0	0	110.7	E97 S101	E97-A99 PolarHBondContact O-N 3.2Å; A99-S101 PolarHBondContact O-N 3.37Å; A99-S101 VanDerWaalsContact O-N 3.14Å
100	D	33.3	Very low	47.5	Very low	168 Å²	168	119 Å²	119	90%	0.898	71%	0.707	S	S	*	*			trans	-67.8	104.6	170.3	-86	-33	0	0	0	110.9	Q98	Q98-D100 PolarHBondContact O-N 2.93Å; Q98-D100 VanDerWaalsContact O-N 3.14Å
101	S	34.7	Very low	45	Very low	117 Å²	117	127.2 Å²	127.2	82%	0.818	75%	0.746	S	S	*	*			trans	-152.3	150	157.7	62.3	0	0	0	0	109.8	A99	A99-S101 PolarHBondContact O-N 3.37Å; A99-S101 VanDerWaalsContact O-N 3.14Å
102	S	37.1	Very low	42.7	Very low	109 Å²	109	128.9 Å²	128.9	76%	0.762	76%	0.764	S	S	*	*			trans	-125.8	148.3	-163.9	60.7	0	0	0	0	114
103	V	39.1	Very low	40.2	Very low	137 Å²	137	126.1 Å²	126.1	83%	0.83	76%	0.761	S	S	*	*			trans	86.3	114.9	166.2	-168.2	0	0	0	0	116.7
104	A	33	Very low	38.1	Very low	89 Å²	89	131.7 Å²	131.7	74%	0.736	80%	0.796	S	S	*	*			trans	65.2	137	161.8	0	0	0	0	0	118.7
105	E	32.3	Very low	36.2	Very low	179 Å²	179	132.9 Å²	132.9	84%	0.836	80%	0.802	S	S	*	*			cis	-153.7	154.4	-6.9	-121.6	-172.7	167.1	0	0	112.2
106	V	34.3	Very low	35.2	Very low	134 Å²	134	138.2 Å²	138.2	81%	0.812	82%	0.815	S	S	*	*			trans	32.8	102.5	160	-167.7	0	0	0	0	119.6
107	S	30.4	Very low	34.5	Very low	114 Å²	114	138.7 Å²	138.7	80%	0.797	81%	0.808	S	S	*	*				-155.1	155.2	124.9	-160.6	0	0	0	0	112.3	Q109	S107-Q109 PolarHBondContact O-N 3.4Å
108	S	30	Very low	34.3	Very low	107 Å²	107	138.9 Å²	138.9	75%	0.748	81%	0.806	S	S	*	*			trans	-58	116.2	-163.3	52.7	0	0	0	0	116.8
109	Q	27.6	Very low	34.5	Very low	201 Å²	201	136.7 Å²	136.7	94%	0.939	79%	0.794	S	S	*	*			trans	-83.6	115.4	152.7	-86.1	-170.8	-17.9	0	0	110	S107	S107-Q109 PolarHBondContact O-N 3.4Å
110	A	34.2	Very low	34.9	Very low	87 Å²	87	137.8 Å²	137.8	72%	0.719	79%	0.787	S	S	*	*			trans	-152.9	42.3	179.5	0	0	0	0	0	115.3
111	E	32.5	Very low	35.6	Very low	202 Å²	202	135.7 Å²	135.7	94%	0.944	77%	0.77	S	S	*	*	S	Bend	trans	-157.6	58.8	165.7	-124.4	165.8	-147.7	0	0	115.2
112	A	37.3	Very low	36.2	Very low	107 Å²	107	135 Å²	135	88%	0.884	75%	0.752	S	S	*	*			trans	-141.1	39.1	178.2	0	0	0	0	0	114.2
113	A	29.3	Very low	37.6	Very low	81 Å²	81	134.2 Å²	134.2	67%	0.669	74%	0.738	S	S	*	*			trans	-135.1	52.4	-171.1	0	0	0	0	0	114.7	L115	A113-L115 PolarHBondContact O-N 3.38Å
114	V	30.7	Very low	38.9	Very low	144 Å²	144	136.2 Å²	136.2	87%	0.873	73%	0.731	S	S	*	*			trans	-73.9	93.9	171.1	-177.7	0	0	0	0	110.1	K116	V114-K116 PolarHBondContact O-N 3.09Å
115	L	32.1	Very low	39.5	Very low	127 Å²	127	139.5 Å²	139.5	67%	0.665	73%	0.729	S	S	*	*			trans	-58.9	102	-172	-65.8	157.7	0	0	0	113.5	A113 H117	A113-L115 PolarHBondContact O-N 3.38Å; L115-H117 PolarHBondContact O-N 2.98Å
116	K	41.1	Very low	40.9	Very low	207 Å²	207	133.3 Å²	133.3	90%	0.9	71%	0.706	S	S	*	*			trans	-72.5	53.6	167.8	-76.7	-179.2	177.6	169.7	0	112.5	V114 K118	V114-K116 PolarHBondContact O-N 3.09Å; K116-K118 VanDerWaalsContact C-N 3.27Å; K116-K118 PolarHBondContact O-N 3.28Å
117	H	35.4	Very low	41.2	Very low	142 Å²	142	132.9 Å²	132.9	66%	0.657	71%	0.705	S	S	*	*			trans	-70.1	71.7	175	-77.8	-34	0	0	0	112.7	L115 K119	L115-H117 PolarHBondContact O-N 2.98Å; H117-K119 VanDerWaalsContact C-N 3.32Å; H117-K119 PolarHBondContact O-N 3.23Å
118	K	39.7	Very low	41.8	Very low	192 Å²	192	139.6 Å²	139.6	84%	0.835	71%	0.713	S	S	*	*			trans	-67.6	89.7	165.1	-83.9	-176.6	171.9	174.3	0	110.1	K116 N120	K116-K118 VanDerWaalsContact C-N 3.27Å; K116-K118 PolarHBondContact O-N 3.28Å; K118-N120 PolarHBondContact O-N 3.13Å
119	K	44.8	Very low	43.3	Very low	137 Å²	137	137.4 Å²	137.4	60%	0.596	70%	0.698	S	S	*	*			trans	-60.6	116.9	167.2	-68.7	172.8	-177.1	169.8	0	108.4	H117 F121	H117-K119 VanDerWaalsContact C-N 3.32Å; H117-K119 PolarHBondContact O-N 3.23Å; K119-F121 HydrophobicContact CB-CD2 4.48Å; K119-F121 HydrophobicContact CB-CE2 3.85Å; K119-F121 HydrophobicContact CB-CZ 4.02Å; K119-F121 WeakPolarHBondContact O-CD2 3.29Å; K119-F121 WeakPolarHBondContact O-CE2 3.37Å; K119-F121 PolarHBondContact O-N 3.28Å
120	N	43.1	Very low	44.6	Very low	113 Å²	113	139.3 Å²	139.3	60%	0.604	70%	0.697	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-77.1	107.9	179	-78.3	-32.1	0	0	0	110.2	K118	K118-N120 PolarHBondContact O-N 3.13Å
121	F	49.4	Very low	45.5	Very low	124 Å²	124	140.7 Å²	140.7	54%	0.544	69%	0.686	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-93	114.4	176.3	-62	-86.6	0	0	0	110.3	K119 I123 V136	K119-F121 HydrophobicContact CB-CD2 4.48Å; K119-F121 HydrophobicContact CB-CE2 3.85Å; K119-F121 HydrophobicContact CB-CZ 4.02Å; K119-F121 WeakPolarHBondContact O-CD2 3.29Å; K119-F121 WeakPolarHBondContact O-CE2 3.37Å; K119-F121 PolarHBondContact O-N 3.28Å; F121-I123 HydrophobicContact CB-CG1 4.34Å; F121-V136 HydrophobicContact CD1-CG2 3.74Å; F121-V136 HydrophobicContact CE1-CG2 3.69Å
122	K	47.7	Very low	46.4	Very low	103 Å²	103	135 Å²	135	45%	0.448	67%	0.665	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-95.5	108.7	167.7	-79	171.6	-176	148	0	109.4	C134 K135 E137	K122-C134 WeakPolarHBondContact O-CA 3.2Å; K122-K135 PolarHBondContact N-O 2.93Å; K122-K135 PolarHBondContact O-N 3.44Å; K122-E137 IonicContact NZ-OE1 2.89Å; K122-E137 IonicContact NZ-OE2 2.71Å; K122-E137 PolarHBondContact NZ-OE2 2.91Å
123	I	66.3	Low	47.2	Very low	91 Å²	91	139 Å²	139	47%	0.467	66%	0.657	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-108	129.8	-177.5	-54	179.6	0	0	0	109.7	F121 F125 V132 R133 C134	F121-I123 HydrophobicContact CB-CG1 4.34Å; I123-F125 HydrophobicContact CG2-CD2 4.2Å; I123-F125 HydrophobicContact CG2-CE2 3.57Å; I123-F125 HydrophobicContact CG2-CZ 4.08Å; I123-V132 HydrophobicContact CG2-CG1 3.4Å; I123-R133 CarbonylContact C-O 3.51Å; I123-R133 WeakPolarHBondContact CA-O 3.2Å; I123-C134 HydrophobicContact CG1-CB 4.29Å
124	W	66.2	Low	47.9	Very low	180 Å²	180	138.6 Å²	138.6	68%	0.682	65%	0.649	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-122	130.3	-179.1	-56.2	90.7	0	0	0	110.7	V132 R133	W124-V132 WeakPolarHBondContact O-CA 3.5Å; W124-R133 PolarHBondContact N-O 3.25Å; W124-R133 PolarHBondContact O-N 3.06Å
125	F	45.9	Very low	48.9	Very low	158 Å²	158	137.5 Å²	137.5	69%	0.693	63%	0.632	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-107.5	132.5	176.7	-69.7	-96.5	0	0	0	110.4	I123 V132	I123-F125 HydrophobicContact CG2-CD2 4.2Å; I123-F125 HydrophobicContact CG2-CE2 3.57Å; I123-F125 HydrophobicContact CG2-CZ 4.08Å; F125-V132 HydrophobicContact CD1-CG1 4.38Å; F125-V132 HydrophobicContact CD1-CG2 3.72Å; F125-V132 HydrophobicContact CE1-CB 4.39Å; F125-V132 HydrophobicContact CE1-CG1 4.03Å; F125-V132 HydrophobicContact CE1-CG2 3.47Å; F125-V132 VanDerWaalsContact CE1-CG2 3.47Å; F125-V132 HydrophobicContact CE2-CG1 4.37Å; F125-V132 HydrophobicContact CZ-CG1 4.02Å; F125-V132 HydrophobicContact CZ-CG2 4.25Å
126	S	61.7	Low	49.7	Very low	49 Å²	49	135 Å²	135	34%	0.343	62%	0.622	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-116.1	101.3	177.2	174.4	0	0	0	0	110.5	R128 S129 R130 K131	S126-R128 PolarHBondContact O-N 3.35Å; S126-R128 VanDerWaalsContact O-N 3.17Å; S126-S129 WeakPolarHBondContact CB-OG 3.19Å; S126-S129 PolarHBondContact O-N 3.44Å; S126-S129 PolarHBondContact O-OG 2.87Å; S126-S129 PolarHBondContact OG-OG 3.44Å; S126-R130 PolarHBondContact O-N 3.28Å; S126-K131 PolarHBondContact N-O 3.3Å
127	P	40.9	Very low	49.9	Very low	124 Å²	124	128.4 Å²	128.4	81%	0.805	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.8	-34.8	-176.4	-27.8	35.5	0	0	0	113.8	S129	P127-S129 PolarHBondContact O-N 2.87Å
128	R	41.3	Very low	50.2	Low	255 Å²	255	130.7 Å²	130.7	96%	0.962	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	-21.4	179.7	-66	-170.5	-177.5	-140.5	2.9	114.5	S126	S126-R128 PolarHBondContact O-N 3.35Å; S126-R128 VanDerWaalsContact O-N 3.17Å
129	S	62.7	Low	50.1	Low	61 Å²	61	127.3 Å²	127.3	43%	0.427	60%	0.6	S	S	.	*	T	Hydrogen-bonded Turn	trans	-115.2	-7.8	-176	64.8	0	0	0	0	114.6	S126 P127 K131	S126-S129 WeakPolarHBondContact CB-OG 3.19Å; S126-S129 PolarHBondContact O-N 3.44Å; S126-S129 PolarHBondContact O-OG 2.87Å; S126-S129 PolarHBondContact OG-OG 3.44Å; P127-S129 PolarHBondContact O-N 2.87Å; S129-K131 PolarHBondContact O-N 3.08Å
130	R	55	Low	49.7	Very low	242 Å²	242	128.8 Å²	128.8	91%	0.913	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	52.2	22.8	-175.7	-63.9	-177.2	173	178.7	-3.7	114.1	S126	S126-R130 PolarHBondContact O-N 3.28Å
131	K	52.5	Low	49.3	Very low	116 Å²	116	132.4 Å²	132.4	50%	0.504	63%	0.627	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.3	140.8	173.6	-66.8	-159.1	178	-165.7	0	111.1	S126 S129 N160	S126-K131 PolarHBondContact N-O 3.3Å; S129-K131 PolarHBondContact O-N 3.08Å; K131-N160 PolarHBondContact NZ-OD1 3.36Å
132	V	51.2	Low	48.5	Very low	81 Å²	81	133.3 Å²	133.3	49%	0.491	64%	0.642	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-97.5	140.3	167.2	-169	0	0	0	0	107.4	I123 W124 F125	I123-V132 HydrophobicContact CG2-CG1 3.4Å; W124-V132 WeakPolarHBondContact O-CA 3.5Å; F125-V132 HydrophobicContact CD1-CG1 4.38Å; F125-V132 HydrophobicContact CD1-CG2 3.72Å; F125-V132 HydrophobicContact CE1-CB 4.39Å; F125-V132 HydrophobicContact CE1-CG1 4.03Å; F125-V132 HydrophobicContact CE1-CG2 3.47Å; F125-V132 VanDerWaalsContact CE1-CG2 3.47Å; F125-V132 HydrophobicContact CE2-CG1 4.37Å; F125-V132 HydrophobicContact CZ-CG1 4.02Å; F125-V132 HydrophobicContact CZ-CG2 4.25Å
133	R	53.5	Low	47.7	Very low	192 Å²	192	134.8 Å²	134.8	73%	0.725	66%	0.66	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-126.3	133.5	167.9	-79.5	-170.3	-87.4	-155.8	-1.9	109.8	I123 W124	I123-R133 CarbonylContact C-O 3.51Å; I123-R133 WeakPolarHBondContact CA-O 3.2Å; W124-R133 PolarHBondContact N-O 3.25Å; W124-R133 PolarHBondContact O-N 3.06Å
134	C	45.3	Very low	46	Very low	72 Å²	72	134.5 Å²	134.5	49%	0.486	67%	0.672	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-118.3	135.8	177.6	-175.8	0	0	0	0	109.4	K122 I123	K122-C134 WeakPolarHBondContact O-CA 3.2Å; I123-C134 HydrophobicContact CG1-CB 4.29Å
135	K	52.3	Low	44.7	Very low	121 Å²	121	131.9 Å²	131.9	53%	0.526	68%	0.677	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-111.9	129.4	165	-170	-172.8	179.2	-161.5	0	108.4	K122 E137	K122-K135 PolarHBondContact N-O 2.93Å; K122-K135 PolarHBondContact O-N 3.44Å; K135-E137 HydrophobicContact CD-CG 3.91Å; K135-E137 WeakPolarHBondContact CD-OE1 3.34Å; K135-E137 WeakPolarHBondContact CE-OE1 3.06Å; K135-E137 HydrophobicContact CG-CG 4.11Å; K135-E137 IonicContact NZ-OE1 3.75Å; K135-E137 PolarHBondContact NZ-OE1 3.42Å
136	V	48.8	Very low	43.8	Very low	75 Å²	75	129.2 Å²	129.2	46%	0.455	68%	0.679	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-99.7	124.1	167.3	-176.5	0	0	0	0	107	F121	F121-V136 HydrophobicContact CD1-CG2 3.74Å; F121-V136 HydrophobicContact CE1-CG2 3.69Å
137	E	44.7	Very low	42.3	Very low	68 Å²	68	136.4 Å²	136.4	32%	0.318	70%	0.704	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-101.7	115.5	177.8	-59	-173.9	131.5	0	0	107.9	K122 K135	K122-E137 IonicContact NZ-OE1 2.89Å; K122-E137 IonicContact NZ-OE2 2.71Å; K122-E137 PolarHBondContact NZ-OE2 2.91Å; K135-E137 HydrophobicContact CD-CG 3.91Å; K135-E137 WeakPolarHBondContact CD-OE1 3.34Å; K135-E137 WeakPolarHBondContact CE-OE1 3.06Å; K135-E137 HydrophobicContact CG-CG 4.11Å; K135-E137 IonicContact NZ-OE1 3.75Å; K135-E137 PolarHBondContact NZ-OE1 3.42Å
138	K	41	Very low	41.7	Very low	190 Å²	190	137 Å²	137	83%	0.826	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-79.8	142	170.7	-75.3	-172.3	175.3	-173.9	0	109.1
139	P	37.5	Very low	41.8	Very low	122 Å²	122	129.8 Å²	129.8	79%	0.792	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-58.6	153.7	160.7	-19.7	33	0	0	0	111
140	L	37.8	Very low	40	Very low	167 Å²	167	133.5 Å²	133.5	87%	0.874	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-94.9	127.6	168.9	-71.1	166.7	0	0	0	108.5
141	E	33.1	Very low	38.7	Very low	189 Å²	189	126.9 Å²	126.9	88%	0.883	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-86.4	148.3	168.6	-70.7	173.4	145.3	0	0	109.7
142	V	33.6	Very low	37.9	Very low	143 Å²	143	130.7 Å²	130.7	87%	0.867	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-92.9	126.9	-178.2	177.8	0	0	0	0	109.3
143	T	30.5	Very low	36.7	Very low	135 Å²	135	132.7 Å²	132.7	83%	0.828	74%	0.744	S	S	*	*			trans	-153.8	143.3	164.6	-29.3	0	0	0	0	110.5
144	A	29.7	Very low	35.8	Very low	85 Å²	85	135.3 Å²	135.3	70%	0.702	75%	0.754	S	S	*	*			trans	-142	166.3	176.1	0	0	0	0	0	109.1
145	P	40.6	Very low	34.9	Very low	124 Å²	124	138 Å²	138	81%	0.805	76%	0.764	S	S	*	*				-131.5	138.9	-67.4	34.8	-21.5	0	0	0	112.6
146	S	27	Very low	34.1	Very low	103 Å²	103	140 Å²	140	72%	0.72	78%	0.779	S	S	*	*			trans	-160.4	116.6	165.4	-169	0	0	0	0	114.4
147	K	28.7	Very low	33.5	Very low	200 Å²	200	140.2 Å²	140.2	87%	0.87	78%	0.784	S	S	*	*			trans	65.3	158	154.6	-63.2	173.6	-176.5	177.8	0	118.8
148	V	29.9	Very low	33	Very low	136 Å²	136	142.5 Å²	142.5	82%	0.824	80%	0.802	S	S	*	*			trans	-158.1	156.2	-156.1	161.8	0	0	0	0	106
149	P	42.1	Very low	32.6	Very low	104 Å²	104	142 Å²	142	68%	0.675	80%	0.8	S	S	*	*			cis	-126.6	169.4	6.4	27.2	-5.9	0	0	0	115.9
150	T	24.9	Very low	32.1	Very low	138 Å²	138	140.9 Å²	140.9	85%	0.847	79%	0.788	S	S	*	*				172.8	167.3	108.3	35.1	0	0	0	0	113.6
151	A	27.3	Very low	31.5	Very low	103 Å²	103	143 Å²	143	85%	0.851	79%	0.79	S	S	*	*			trans	73.2	151.2	168.7	0	0	0	0	0	118.3
152	Q	37	Very low	31.3	Very low	196 Å²	196	139 Å²	139	92%	0.916	78%	0.779	S	S	*	*			trans	-107.9	150.7	-175.3	-61	171.1	-10.5	0	0	110.6
153	C	25.1	Very low	31.1	Very low	124 Å²	124	138.3 Å²	138.3	84%	0.838	78%	0.78	S	S	*	*			trans	-145.7	134.3	149.1	-165.8	0	0	0	0	111.1
154	R	34.2	Very low	31.1	Very low	247 Å²	247	136.8 Å²	136.8	93%	0.932	78%	0.775	S	S	*	*			trans	-110.7	127.2	166.1	-72.9	176.7	172	171.1	-2.8	107.3
155	D	28.2	Very low	31	Very low	128 Å²	128	137.8 Å²	137.8	68%	0.684	78%	0.777	S	S	*	*			trans	-131.2	124.3	162.6	-170.9	11.9	0	0	0	111.4	S157	D155-S157 PolarHBondContact OD1-N 3.09Å
156	L	33.8	Very low	30.5	Very low	163 Å²	163	140.7 Å²	140.7	85%	0.853	78%	0.78	S	S	*	*			trans	-144	83.6	171	-77.2	179.3	0	0	0	106.9	V158	L156-V158 PolarHBondContact O-N 3Å
157	S	36.2	Very low	30.3	Very low	79 Å²	79	142.9 Å²	142.9	55%	0.552	78%	0.783	S	S	*	*			trans	-71.1	89.4	-175.2	35.5	0	0	0	0	112.9	D155 F159	D155-S157 PolarHBondContact OD1-N 3.09Å; S157-F159 PolarHBondContact O-N 2.81Å
158	V	34.9	Very low	30.2	Very low	117 Å²	117	139.6 Å²	139.6	71%	0.709	79%	0.786	S	S	*	*			trans	-84.4	89.5	177.5	-176.6	0	0	0	0	111.4	L156 N160	L156-V158 PolarHBondContact O-N 3Å; V158-N160 PolarHBondContact O-ND2 2.96Å
159	F	31.8	Very low	29.9	Very low	179 Å²	179	138.2 Å²	138.2	79%	0.785	78%	0.782	S	S	*	*			trans	-73.4	128.6	171.4	-67.5	-80.6	0	0	0	111.9	S157	S157-F159 PolarHBondContact O-N 2.81Å
160	N	27.6	Very low	29.3	Very low	98 Å²	98	138 Å²	138	52%	0.524	78%	0.783	S	S	.	*			trans	-107.4	107.5	174.1	-74.1	-87.6	0	0	0	109.9	K131 V158 T162	K131-N160 PolarHBondContact NZ-OD1 3.36Å; V158-N160 PolarHBondContact O-ND2 2.96Å; N160-T162 PolarHBondContact O-N 3.15Å
161	F	24.9	Very low	29.4	Very low	212 Å²	212	136.6 Å²	136.6	93%	0.93	78%	0.779	S	S	*	*			trans	-78	107.3	165.5	-102.6	-92.7	0	0	0	110
162	T	29.9	Very low	29.4	Very low	106 Å²	106	140.8 Å²	140.8	65%	0.65	78%	0.781	S	S	*	*			trans	-94.1	128	162.9	46.7	0	0	0	0	109.4	N160 S164	N160-T162 PolarHBondContact O-N 3.15Å; T162-S164 PolarHBondContact O-N 3.22Å; T162-S164 PolarHBondContact O-OG 2.88Å
163	S	29.9	Very low	28.9	Very low	127 Å²	127	138.5 Å²	138.5	89%	0.888	78%	0.775	S	S	*	*			trans	-74.5	94.8	171.8	-169.7	0	0	0	0	109	S165	S163-S165 PolarHBondContact O-N 3.3Å
164	S	28.5	Very low	28.9	Very low	103 Å²	103	141.6 Å²	141.6	72%	0.72	78%	0.777	S	S	*	*			trans	-83.8	96	-176.8	-55.7	0	0	0	0	111.1	T162	T162-S164 PolarHBondContact O-N 3.22Å; T162-S164 PolarHBondContact O-OG 2.88Å
165	S	29.7	Very low	28.5	Very low	106 Å²	106	141.1 Å²	141.1	74%	0.741	78%	0.775	S	S	*	*			trans	-111.2	86.1	162.1	59.4	0	0	0	0	109.6	S163	S163-S165 PolarHBondContact O-N 3.3Å
166	Q	28.4	Very low	28.3	Very low	185 Å²	185	142.2 Å²	142.2	86%	0.864	78%	0.781	S	S	*	*			trans	-165	153.7	157.1	-115.5	165.2	6	0	0	111.4
167	D	23.5	Very low	28.1	Very low	149 Å²	149	140 Å²	140	80%	0.797	77%	0.774	S	S	*	*			trans	-85.4	153.8	-165.9	-41.9	-96.3	0	0	0	113.3
168	S	26.7	Very low	27.6	Very low	132 Å²	132	143.1 Å²	143.1	92%	0.923	79%	0.785	S	S	*	*			trans	-169.3	158.6	139.7	-83.9	0	0	0	0	111.8
169	S	24	Very low	27.3	Very low	106 Å²	106	142.3 Å²	142.3	74%	0.741	78%	0.784	S	S	*	*			trans	-100.1	-176.6	-169.3	57.1	0	0	0	0	114.5
170	S	28.2	Very low	27	Very low	99 Å²	99	144.1 Å²	144.1	69%	0.692	79%	0.792	S	S	*	*			trans	68	83.3	151	49.5	0	0	0	0	119.9
171	S	28.1	Very low	27	Very low	109 Å²	109	142.8 Å²	142.8	76%	0.762	80%	0.801	S	S	*	*				23.1	118.6	117	60.8	0	0	0	0	121.1
172	Q	27.8	Very low	27.1	Very low	191 Å²	191	142.4 Å²	142.4	89%	0.893	80%	0.799	S	S	*	*				-142.1	131.6	127	-65.6	-165	-16.6	0	0	106
173	N	26.2	Very low	26.9	Very low	148 Å²	148	146.6 Å²	146.6	79%	0.791	81%	0.808	S	S	*	*			cis	80.9	89.5	45.7	-157.3	34.7	0	0	0	112.4
174	E	24.2	Very low	26.9	Very low	189 Å²	189	150.3 Å²	150.3	88%	0.883	80%	0.803	S	S	*	*			trans	-85.1	135.6	177.4	-64.1	-172	146	0	0	111.9
175	R	25.1	Very low	27	Very low	237 Å²	237	150.6 Å²	150.6	89%	0.894	80%	0.8	S	S	*	*			trans	-142.6	147.7	158.4	-76.9	-164.3	175.6	-177.6	-1.5	110.7
176	N	24.7	Very low	27.2	Very low	152 Å²	152	154.6 Å²	154.6	81%	0.813	81%	0.805	S	S	*	*			trans	-84.1	147.4	-168.5	-93.3	-34	0	0	0	114.4
177	V	28.9	Very low	27.3	Very low	116 Å²	116	154.8 Å²	154.8	70%	0.703	80%	0.802	S	S	*	*			trans	52.1	118.1	132.9	-178.9	0	0	0	0	116.7
178	N	27.2	Very low	27.7	Very low	145 Å²	145	153.5 Å²	153.5	78%	0.775	80%	0.8	S	S	*	*				179.2	177	68	-144.3	-18.5	0	0	0	115
179	S	28.3	Very low	27.8	Very low	100 Å²	100	151.3 Å²	151.3	70%	0.699	79%	0.79	S	S	*	*			trans	65	96.9	146.6	58.3	0	0	0	0	123
180	K	26.1	Very low	28	Very low	216 Å²	216	152.2 Å²	152.2	94%	0.939	79%	0.791	S	S	*	*			trans	-17.8	144.4	141.3	-52.9	160.3	-177.6	170.8	0	118.1
181	G	26.6	Very low	28.1	Very low	70 Å²	70	153.4 Å²	153.4	72%	0.722	79%	0.794	S	S	*	*				145.9	113.4	125.2	0	0	0	0	0	121.9
182	K	26.4	Very low	28.2	Very low	204 Å²	204	159.8 Å²	159.8	89%	0.887	80%	0.802	S	S	*	*			trans	64.6	128.2	153.4	-59	171.6	-176.8	173.7	0	117
183	K	26.5	Very low	28.3	Very low	194 Å²	194	159.6 Å²	159.6	84%	0.843	80%	0.801	S	S	*	*				67.4	134.2	62.2	-73.8	-174	176.3	178.1	0	112.5
184	R	30.6	Very low	28.4	Very low	205 Å²	205	157.9 Å²	157.9	77%	0.774	80%	0.796	S	S	*	*			cis	-170.6	156.6	24.9	-134.1	175	78.1	-179.3	12.9	114.9
185	T	30.7	Very low	28.7	Very low	109 Å²	109	157.7 Å²	157.7	67%	0.669	80%	0.795	S	S	*	*			trans	68	160.9	149.6	38.8	0	0	0	0	120.4
186	K	33.5	Very low	28.9	Very low	191 Å²	191	150.1 Å²	150.1	83%	0.83	79%	0.79	S	S	*	*			cis	-152.4	179.1	6.3	-142.5	-179	176	-179.1	0	113.1
187	K	31.1	Very low	29.2	Very low	188 Å²	188	155 Å²	155	82%	0.817	80%	0.797	S	S	*	*			trans	73.7	148.4	172.9	-88.7	-170.3	174.5	-176.7	0	114.7
188	T	30.3	Very low	29.2	Very low	123 Å²	123	155.9 Å²	155.9	76%	0.755	80%	0.803	S	S	*	*			cis	-163.5	168	-25.5	4.2	0	0	0	0	108
189	A	28.6	Very low	29.5	Very low	86 Å²	86	154.3 Å²	154.3	71%	0.711	80%	0.804	S	S	*	*			cis	-143.8	-89.3	-1.2	0	0	0	0	0	113.3
190	T	29.9	Very low	30.2	Very low	125 Å²	125	154.2 Å²	154.2	77%	0.767	80%	0.799	S	S	*	*			trans	-145.2	164.1	-164.6	49	0	0	0	0	110.8
191	T	28.8	Very low	31.4	Very low	123 Å²	123	149.2 Å²	149.2	76%	0.755	79%	0.787	S	S	*	*			cis	-159.3	159.5	36.3	-35.7	0	0	0	0	114.2
192	R	30.2	Very low	32.3	Very low	244 Å²	244	156.6 Å²	156.6	92%	0.921	79%	0.793	S	S	*	*			trans	90.9	136.8	164.4	-62.8	-165.7	170	171.2	-1.8	119.4
193	Q	30.6	Very low	33.1	Very low	186 Å²	186	156.7 Å²	156.7	87%	0.869	79%	0.788	S	S	*	*			trans	-84.3	175.3	179.6	-72.9	175	-24.1	0	0	110.7
194	V	27.6	Very low	34.2	Very low	113 Å²	113	153 Å²	153	69%	0.685	77%	0.773	S	S	*	*			cis	-168.5	139.2	-16.1	139.2	0	0	0	0	102.5
195	Q	31.1	Very low	35.1	Very low	185 Å²	185	147.4 Å²	147.4	86%	0.864	76%	0.762	S	S	*	*				-174.3	143.9	70.9	-150.8	157	56.7	0	0	108.6
196	G	29.3	Very low	36.3	Very low	77 Å²	77	149.4 Å²	149.4	79%	0.794	76%	0.761	S	S	*	*			trans	-87.5	144	-176.6	0	0	0	0	0	114.4
197	R	30.2	Very low	37.5	Very low	254 Å²	254	145.7 Å²	145.7	96%	0.958	75%	0.747	S	S	*	*			trans	-147.6	128.5	166.3	-140.3	170	-177	170.7	0.6	111
198	T	30.3	Very low	38.6	Very low	136 Å²	136	141.8 Å²	141.8	83%	0.834	74%	0.735	S	S	*	*			trans	-87.9	147.6	-172.8	41.2	0	0	0	0	112.9
199	S	32.4	Very low	40.2	Very low	112 Å²	112	142 Å²	142	78%	0.783	73%	0.731	S	S	*	*			trans	-106.3	111.3	-174	48.8	0	0	0	0	113.1
200	T	43.4	Very low	41.8	Very low	98 Å²	98	144.9 Å²	144.9	60%	0.601	73%	0.727	S	S	*	*			trans	-132.2	20.3	-178.4	46.2	0	0	0	0	113.9
201	T	51.8	Low	43.6	Very low	111 Å²	111	145 Å²	145	68%	0.681	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.9	65.9	-162.4	41.3	0	0	0	0	115.6
202	R	44.1	Very low	45.1	Very low	224 Å²	224	146.6 Å²	146.6	85%	0.845	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-140.2	-21.8	160	-156	174.8	-174.1	-173.6	3.3	115.3
203	R	44.4	Very low	46.6	Very low	207 Å²	207	144.1 Å²	144.1	78%	0.781	70%	0.704	S	S	*	*	H	α-helix	trans	-83.2	-52.4	178.4	-144.2	172.7	-172.6	166.1	1.1	111.1	T205 K206 E207	R203-T205 PolarHBondContact O-N 3.05Å; R203-K206 WeakPolarHBondContact O-CA 3.44Å; R203-K206 WeakPolarHBondContact O-CB 3.35Å; R203-K206 PolarHBondContact O-N 3.49Å; R203-E207 PolarHBondContact O-N 2.92Å; R203-E207 VanDerWaalsContact O-N 3.15Å
204	Q	49.8	Very low	47.7	Very low	115 Å²	115	140.2 Å²	140.2	54%	0.537	69%	0.689	S	S	.	*	H	α-helix	trans	-58.4	-40.6	-179.9	-67.6	175.6	-18.7	0	0	113.5	K206 E207 N208	Q204-K206 VanDerWaalsContact C-N 3.29Å; Q204-K206 PolarHBondContact O-N 3.47Å; Q204-E207 PolarHBondContact O-N 3.22Å; Q204-E207 VanDerWaalsContact O-N 3.13Å; Q204-N208 PolarHBondContact O-N 3.47Å
205	T	48.9	Very low	49.1	Very low	88 Å²	88	138.9 Å²	138.9	54%	0.54	68%	0.675	S	S	.	*	H	α-helix	trans	-62.1	-34.8	174.9	30.4	0	0	0	0	112.7	R203 E207 L209	R203-T205 PolarHBondContact O-N 3.05Å; T205-E207 VanDerWaalsContact C-N 3.34Å; T205-L209 WeakPolarHBondContact O-CB 3.42Å; T205-L209 PolarHBondContact O-N 2.92Å
206	K	56.5	Low	50.4	Low	151 Å²	151	132.7 Å²	132.7	66%	0.657	66%	0.656	S	S	*	*	H	α-helix	trans	-75.3	-22.3	175.9	-164.7	171	-175.1	174.1	0	112.9	R203 Q204 K210	R203-K206 WeakPolarHBondContact O-CA 3.44Å; R203-K206 WeakPolarHBondContact O-CB 3.35Å; R203-K206 PolarHBondContact O-N 3.49Å; Q204-K206 VanDerWaalsContact C-N 3.29Å; Q204-K206 PolarHBondContact O-N 3.47Å; K206-K210 WeakPolarHBondContact O-CG 3.26Å
207	E	57.8	Low	51.9	Low	113 Å²	113	132.7 Å²	132.7	53%	0.528	64%	0.637	S	S	.	*	H	α-helix	trans	-85.3	-43.7	174.6	-72.6	172.9	130.2	0	0	111.9	R203 Q204 T205 L209 K210 K211	R203-E207 PolarHBondContact O-N 2.92Å; R203-E207 VanDerWaalsContact O-N 3.15Å; Q204-E207 PolarHBondContact O-N 3.22Å; Q204-E207 VanDerWaalsContact O-N 3.13Å; T205-E207 VanDerWaalsContact C-N 3.34Å; E207-L209 VanDerWaalsContact C-N 3.29Å; E207-L209 PolarHBondContact O-N 3.29Å; E207-K210 WeakPolarHBondContact O-CA 3.35Å; E207-K210 WeakPolarHBondContact O-CB 3.4Å; E207-K210 PolarHBondContact O-N 2.99Å; E207-K211 PolarHBondContact O-N 3.23Å
208	N	54.5	Low	53.3	Low	107 Å²	107	124.7 Å²	124.7	57%	0.572	61%	0.613	S	S	*	*	H	α-helix	trans	-60.1	-37.6	173.8	-79.3	-11.5	0	0	0	112.3	Q204 K210 K211 K212	Q204-N208 PolarHBondContact O-N 3.47Å; N208-K210 VanDerWaalsContact C-N 3.33Å; N208-K210 PolarHBondContact O-N 3.09Å; N208-K211 PolarHBondContact O-N 3.41Å; N208-K212 PolarHBondContact O-N 3.26Å
209	L	63.1	Low	54.5	Low	128 Å²	128	126.2 Å²	126.2	67%	0.67	61%	0.611	S	S	*	*	H	α-helix	trans	-65.5	-34.5	174.1	-172.2	65.3	0	0	0	112.5	T205 E207 R213	T205-L209 WeakPolarHBondContact O-CB 3.42Å; T205-L209 PolarHBondContact O-N 2.92Å; E207-L209 VanDerWaalsContact C-N 3.29Å; E207-L209 PolarHBondContact O-N 3.29Å; L209-R213 WeakPolarHBondContact O-CB 3.44Å; L209-R213 PolarHBondContact O-N 3.12Å
210	K	63.3	Low	55.4	Low	145 Å²	145	128 Å²	128	63%	0.63	61%	0.607	S	S	*	*	H	α-helix	trans	-69.8	-40.8	172.7	-75.9	176.6	174.6	-173.3	0	111.8	K206 E207 N208 R213 L214	K206-K210 WeakPolarHBondContact O-CG 3.26Å; E207-K210 WeakPolarHBondContact O-CA 3.35Å; E207-K210 WeakPolarHBondContact O-CB 3.4Å; E207-K210 PolarHBondContact O-N 2.99Å; N208-K210 VanDerWaalsContact C-N 3.33Å; N208-K210 PolarHBondContact O-N 3.09Å; K210-R213 PolarHBondContact O-N 3.5Å; K210-L214 PolarHBondContact O-N 3.47Å
211	K	67.2	Low	55.2	Low	129 Å²	129	132.4 Å²	132.4	56%	0.561	61%	0.612	S	S	*	*	H	α-helix	trans	-63.8	-51.2	-179.2	-162.9	-175.6	179.3	-161.5	0	111.2	E207 N208 R213 L214 E215	E207-K211 PolarHBondContact O-N 3.23Å; N208-K211 PolarHBondContact O-N 3.41Å; K211-R213 VanDerWaalsContact C-N 3.26Å; K211-R213 PolarHBondContact O-N 3.13Å; K211-L214 WeakPolarHBondContact O-CA 3.24Å; K211-L214 WeakPolarHBondContact O-CB 3.43Å; K211-L214 PolarHBondContact O-N 2.86Å; K211-E215 WeakPolarHBondContact CE-OE1 3.18Å; K211-E215 IonicContact NZ-OE1 2.85Å; K211-E215 PolarHBondContact O-N 3.12Å
212	K	59.7	Low	54.7	Low	155 Å²	155	130.1 Å²	130.1	67%	0.674	61%	0.611	S	S	*	*	H	α-helix	trans	-56.9	-37.7	174.3	-74	-165	171.6	-165.2	0	113.2	N208 L214 E215 A216	N208-K212 PolarHBondContact O-N 3.26Å; K212-L214 VanDerWaalsContact C-N 3.29Å; K212-L214 PolarHBondContact O-N 3.07Å; K212-E215 WeakPolarHBondContact CA-OE2 3.34Å; K212-E215 PolarHBondContact O-N 3.32Å; K212-A216 WeakPolarHBondContact O-CB 3.49Å; K212-A216 PolarHBondContact O-N 3.14Å
213	R	61.7	Low	54.8	Low	192 Å²	192	125.6 Å²	125.6	73%	0.725	60%	0.602	S	S	*	*	H	α-helix	trans	-70.9	-23.6	177.3	-162.6	173.7	-170.1	175.7	4.8	113.1	L209 K210 K211 I217	L209-R213 WeakPolarHBondContact O-CB 3.44Å; L209-R213 PolarHBondContact O-N 3.12Å; K210-R213 PolarHBondContact O-N 3.5Å; K211-R213 VanDerWaalsContact C-N 3.26Å; K211-R213 PolarHBondContact O-N 3.13Å; R213-I217 VanDerWaalsContact O-CD1 3.3Å; R213-I217 WeakPolarHBondContact O-CD1 3.42Å; R213-I217 VanDerWaalsContact O-CG1 3.28Å; R213-I217 WeakPolarHBondContact O-CG1 3.35Å
214	L	54.4	Low	54.5	Low	104 Å²	104	121.3 Å²	121.3	55%	0.545	60%	0.599	S	S	.	*	H	α-helix	trans	-82.4	-41.1	173.4	-169	66.3	0	0	0	111.3	K210 K211 K212 A216 I217 N218	K210-L214 PolarHBondContact O-N 3.47Å; K211-L214 WeakPolarHBondContact O-CA 3.24Å; K211-L214 WeakPolarHBondContact O-CB 3.43Å; K211-L214 PolarHBondContact O-N 2.86Å; K212-L214 VanDerWaalsContact C-N 3.29Å; K212-L214 PolarHBondContact O-N 3.07Å; L214-A216 VanDerWaalsContact C-N 3.35Å; L214-A216 PolarHBondContact O-N 2.88Å; L214-I217 PolarHBondContact O-N 2.87Å; L214-I217 VanDerWaalsContact O-N 3.15Å; L214-N218 PolarHBondContact O-N 3.37Å; L214-N218 PolarHBondContact O-OD1 3.45Å
215	E	57.3	Low	53.7	Low	85 Å²	85	123.4 Å²	123.4	40%	0.397	61%	0.614	S	S	.	*	H	α-helix	trans	-59.2	-43.8	174.8	-72.6	157.4	165.1	0	0	111.4	K211 K212 I217 N218 Q219	K211-E215 WeakPolarHBondContact CE-OE1 3.18Å; K211-E215 IonicContact NZ-OE1 2.85Å; K211-E215 PolarHBondContact O-N 3.12Å; K212-E215 WeakPolarHBondContact CA-OE2 3.34Å; K212-E215 PolarHBondContact O-N 3.32Å; E215-I217 VanDerWaalsContact C-N 3.33Å; E215-I217 PolarHBondContact O-N 2.75Å; E215-N218 PolarHBondContact O-N 3.37Å; E215-Q219 PolarHBondContact O-N 2.96Å
216	A	58.4	Low	52.9	Low	55 Å²	55	127.6 Å²	127.6	46%	0.455	63%	0.627	S	S	.	*	H	α-helix	trans	-62.2	-35.7	174.2	0	0	0	0	0	113.6	K212 L214 Q220	K212-A216 WeakPolarHBondContact O-CB 3.49Å; K212-A216 PolarHBondContact O-N 3.14Å; L214-A216 VanDerWaalsContact C-N 3.35Å; L214-A216 PolarHBondContact O-N 2.88Å; A216-Q220 WeakPolarHBondContact O-CB 3.36Å; A216-Q220 PolarHBondContact O-N 3.04Å; A216-Q220 VanDerWaalsContact O-N 3.13Å
217	I	60.1	Low	51.7	Low	78 Å²	78	129.3 Å²	129.3	40%	0.4	64%	0.638	S	S	.	*	H	α-helix	trans	-70.9	-41.9	175.9	-70.7	168	0	0	0	110.4	R213 L214 E215 Q219 Q220 W221	R213-I217 VanDerWaalsContact O-CD1 3.3Å; R213-I217 WeakPolarHBondContact O-CD1 3.42Å; R213-I217 VanDerWaalsContact O-CG1 3.28Å; R213-I217 WeakPolarHBondContact O-CG1 3.35Å; L214-I217 PolarHBondContact O-N 2.87Å; L214-I217 VanDerWaalsContact O-N 3.15Å; E215-I217 VanDerWaalsContact C-N 3.33Å; E215-I217 PolarHBondContact O-N 2.75Å; I217-Q219 VanDerWaalsContact C-N 3.34Å; I217-Q219 PolarHBondContact O-N 3.05Å; I217-Q220 WeakPolarHBondContact O-CB 3.35Å; I217-Q220 PolarHBondContact O-N 3.27Å; I217-Q220 VanDerWaalsContact O-N 3.15Å; I217-W221 PolarHBondContact O-N 2.95Å
218	N	59.6	Low	50.3	Low	85 Å²	85	131.5 Å²	131.5	46%	0.455	65%	0.653	S	S	.	*	H	α-helix	trans	-64.2	-39.8	179.4	-69.8	7.1	0	0	0	111.6	L214 E215 W221 G222	L214-N218 PolarHBondContact O-N 3.37Å; L214-N218 PolarHBondContact O-OD1 3.45Å; E215-N218 PolarHBondContact O-N 3.37Å; N218-W221 PolarHBondContact O-N 2.98Å; N218-G222 PolarHBondContact O-N 3.29Å
219	Q	55.9	Low	49.3	Very low	168 Å²	168	132.7 Å²	132.7	79%	0.785	67%	0.667	S	S	*	*	H	α-helix	trans	-62.8	-39	172.2	-72.9	-178.2	-19	0	0	112.5	E215 I217 W221	E215-Q219 PolarHBondContact O-N 2.96Å; I217-Q219 VanDerWaalsContact C-N 3.34Å; I217-Q219 PolarHBondContact O-N 3.05Å; Q219-W221 PolarHBondContact O-N 2.83Å
220	Q	51.5	Low	47.7	Very low	150 Å²	150	132.1 Å²	132.1	70%	0.701	67%	0.674	S	S	*	*	H	α-helix	trans	-65.5	-21.5	178.3	-173	175.5	12.2	0	0	113.8	A216 I217	A216-Q220 WeakPolarHBondContact O-CB 3.36Å; A216-Q220 PolarHBondContact O-N 3.04Å; A216-Q220 VanDerWaalsContact O-N 3.13Å; I217-Q220 WeakPolarHBondContact O-CB 3.35Å; I217-Q220 PolarHBondContact O-N 3.27Å; I217-Q220 VanDerWaalsContact O-N 3.15Å
221	W	38.8	Very low	46	Very low	190 Å²	190	131.2 Å²	131.2	72%	0.72	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.7	6.3	-176.9	-72.4	85.3	0	0	0	114.5	I217 N218 Q219 I223	I217-W221 PolarHBondContact O-N 2.95Å; N218-W221 PolarHBondContact O-N 2.98Å; Q219-W221 PolarHBondContact O-N 2.83Å; W221-I223 VanDerWaalsContact C-N 3.27Å; W221-I223 PolarHBondContact O-N 3.28Å
222	G	42.4	Very low	44	Very low	63 Å²	63	128.4 Å²	128.4	65%	0.649	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	67.6	16.2	168.4	0	0	0	0	0	116.3	N218 T224	N218-G222 PolarHBondContact O-N 3.29Å; G222-T224 PolarHBondContact O-N 3.17Å
223	I	44.9	Very low	42.8	Very low	130 Å²	130	127.2 Å²	127.2	67%	0.667	70%	0.701	S	S	*	*			trans	-88	102.8	-178.5	-54.8	178.5	0	0	0	109.6	W221	W221-I223 VanDerWaalsContact C-N 3.27Å; W221-I223 PolarHBondContact O-N 3.28Å
224	T	38.5	Very low	41.1	Very low	117 Å²	117	125.8 Å²	125.8	72%	0.718	70%	0.703	S	S	*	*			trans	-123.1	114.5	173	-53.7	0	0	0	0	109	G222 Q226	G222-T224 PolarHBondContact O-N 3.17Å; T224-Q226 PolarHBondContact O-N 3.15Å
225	D	33.5	Very low	40.1	Very low	159 Å²	159	126.1 Å²	126.1	85%	0.85	71%	0.711	S	S	*	*			trans	-66.1	128.3	168.7	-73.5	-46.6	0	0	0	109.5
226	Q	30.9	Very low	38.5	Very low	175 Å²	175	126.6 Å²	126.6	82%	0.818	72%	0.724	S	S	*	*			trans	-109.4	147.9	164.8	-69.6	-162.8	12.3	0	0	110.4	T224	T224-Q226 PolarHBondContact O-N 3.15Å
227	Q	31.2	Very low	36.9	Very low	188 Å²	188	129.6 Å²	129.6	88%	0.879	74%	0.74	S	S	*	*			trans	-112.4	148.8	164.7	-69.4	-173.9	-23.1	0	0	109
228	N	30.3	Very low	35.3	Very low	159 Å²	159	130.3 Å²	130.3	85%	0.85	76%	0.757	S	S	*	*			trans	-58.7	158.1	-169.8	-52.4	-9.6	0	0	0	113.6
229	P	32.8	Very low	33.7	Very low	131 Å²	131	134.1 Å²	134.1	85%	0.851	78%	0.778	S	S	*	*				-130.1	169.5	110.9	38.1	-32.6	0	0	0	113.5
230	S	30.3	Very low	32.4	Very low	117 Å²	117	129.7 Å²	129.7	82%	0.818	78%	0.777	S	S	*	*			trans	-113.7	129.2	-174	54.4	0	0	0	0	113.2
231	S	27.6	Very low	31.3	Very low	125 Å²	125	126.7 Å²	126.7	87%	0.874	78%	0.778	S	S	*	*			trans	-161.3	149.1	156.5	47	0	0	0	0	110
232	G	25	Very low	30.9	Very low	70 Å²	70	129.5 Å²	129.5	72%	0.722	79%	0.789	S	S	*	*			trans	-93.7	-167.1	173.6	0	0	0	0	0	112.5
233	P	33.2	Very low	30.2	Very low	130 Å²	130	130 Å²	130	84%	0.844	79%	0.794	S	S	*	*			cis	-124.1	176.7	17.4	41.6	-28.8	0	0	0	116.4
234	E	26.6	Very low	29.4	Very low	162 Å²	162	128.8 Å²	128.8	76%	0.757	80%	0.797	S	S	*	*			trans	-54.1	155.7	162.6	-89	-73.4	142.5	0	0	113.2	S236	E234-S236 PolarHBondContact OE2-N 2.91Å
235	P	33.6	Very low	29	Very low	112 Å²	112	134.4 Å²	134.4	73%	0.727	81%	0.805	S	S	*	*				-151.3	128.1	90.8	36.9	-17.3	0	0	0	118.3
236	S	24	Very low	28.7	Very low	95 Å²	95	137.3 Å²	137.3	66%	0.664	81%	0.81	S	S	*	*			trans	73	153.9	134.7	78.7	0	0	0	0	118.4	E234	E234-S236 PolarHBondContact OE2-N 2.91Å
237	C	23.6	Very low	28.5	Very low	118 Å²	118	140 Å²	140	80%	0.797	81%	0.813	S	S	*	*			cis	-141.2	151.4	20.4	-98.9	0	0	0	0	114.3
238	A	27.3	Very low	28.2	Very low	92 Å²	92	136.8 Å²	136.8	76%	0.76	81%	0.806	S	S	*	*			trans	35	106.2	142.7	0	0	0	0	0	123
239	D	26.8	Very low	28.1	Very low	166 Å²	166	133.3 Å²	133.3	89%	0.888	79%	0.794	S	S	*	*				69.9	150	114.9	-146.1	-1.5	0	0	0	122.3
240	G	26.8	Very low	27.7	Very low	75 Å²	75	135.7 Å²	135.7	77%	0.773	79%	0.791	S	S	*	*			trans	147.8	78.5	-178.5	0	0	0	0	0	113.8
241	A	30	Very low	27.5	Very low	87 Å²	87	137.7 Å²	137.7	72%	0.719	79%	0.792	S	S	*	*			trans	-95	175.3	-163.8	0	0	0	0	0	117.7
242	R	28.8	Very low	27.4	Very low	248 Å²	248	137.1 Å²	137.1	94%	0.936	79%	0.788	S	S	*	*			trans	96.9	135.2	176.7	-59.7	177.7	177.1	-168.6	-0.9	115
243	G	27.6	Very low	27.6	Very low	74 Å²	74	140 Å²	140	76%	0.763	79%	0.794	S	S	*	*			cis	93.9	137.7	2.3	0	0	0	0	0	114
244	S	28.7	Very low	27.2	Very low	104 Å²	104	139.4 Å²	139.4	73%	0.727	79%	0.793	S	S	*	*			cis	-165.9	148.8	-4.8	-173.3	0	0	0	0	110.4
245	R	31	Very low	27.2	Very low	236 Å²	236	137.4 Å²	137.4	89%	0.891	79%	0.791	S	S	*	*			trans	50.3	131	163.4	-66.1	170.2	-177.9	-176.2	1.3	120.5
246	K	26.8	Very low	26.8	Very low	219 Å²	219	138 Å²	138	95%	0.952	80%	0.798	S	S	*	*			trans	-150.2	154.1	134.6	-119.7	171.4	-174	177.7	0	112.4
247	R	26.8	Very low	26.9	Very low	231 Å²	231	138.9 Å²	138.9	87%	0.872	80%	0.799	S	S	*	*			trans	-105.9	146.2	-177.8	179.9	-160.4	-69.1	-178.7	-2.7	108.8
248	V	25.6	Very low	26.9	Very low	122 Å²	122	141.3 Å²	141.3	74%	0.739	81%	0.805	S	S	*	*			trans	-135.9	147.4	168.2	-176.2	0	0	0	0	109.6	F250	V248-F250 HydrophobicContact CG1-CD2 4.24Å; V248-F250 HydrophobicContact CG1-CE2 3.55Å; V248-F250 HydrophobicContact CG1-CZ 4.17Å
249	S	27.2	Very low	26.9	Very low	85 Å²	85	140.6 Å²	140.6	59%	0.594	81%	0.806	S	S	*	*			trans	-156.6	138	-174.7	51.3	0	0	0	0	111
250	F	23.9	Very low	26.9	Very low	182 Å²	182	137.3 Å²	137.3	80%	0.798	80%	0.802	S	S	*	*			trans	-139.7	127.8	166.6	-58.9	-79.3	0	0	0	106.5	V248	V248-F250 HydrophobicContact CG1-CD2 4.24Å; V248-F250 HydrophobicContact CG1-CE2 3.55Å; V248-F250 HydrophobicContact CG1-CZ 4.17Å
251	L	26.5	Very low	26.9	Very low	159 Å²	159	142.5 Å²	142.5	83%	0.832	81%	0.806	S	S	*	*			cis	75.6	117.3	42.7	-64.4	176.5	0	0	0	114
252	S	26.2	Very low	26.7	Very low	112 Å²	112	144.3 Å²	144.3	78%	0.783	81%	0.809	S	S	*	*			trans	-82.5	150.3	170.5	-46.5	0	0	0	0	110.6
253	P	29.4	Very low	26.4	Very low	132 Å²	132	141.8 Å²	141.8	86%	0.857	81%	0.807	S	S	*	*			trans	-82	150.3	169.9	33.9	-33.5	0	0	0	111.8
254	S	24.3	Very low	26.4	Very low	116 Å²	116	142.4 Å²	142.4	81%	0.811	81%	0.805	S	S	*	*			trans	-126.4	166.6	171	58.4	0	0	0	0	111.3
255	V	26.4	Very low	26.3	Very low	121 Å²	121	142.8 Å²	142.8	73%	0.733	81%	0.808	S	S	*	*			trans	-58.9	158.5	-174	179.6	0	0	0	0	113.7	T257	V255-T257 HydrophobicContact CG1-CG2 3.92Å
256	S	25.1	Very low	26.1	Very low	123 Å²	123	140.1 Å²	140.1	86%	0.86	81%	0.805	S	S	*	*			trans	-135	148.4	153.7	-60.6	0	0	0	0	109.1
257	T	26.6	Very low	26.1	Very low	114 Å²	114	134.8 Å²	134.8	70%	0.699	79%	0.791	S	S	*	*			trans	-128.3	155.1	-167.5	48.1	0	0	0	0	112.5	V255	V255-T257 HydrophobicContact CG1-CG2 3.92Å
258	D	23.8	Very low	26	Very low	170 Å²	170	133.8 Å²	133.8	91%	0.909	79%	0.787	S	S	*	*			trans	160.9	144.9	147.4	-81.2	-12.9	0	0	0	107.1
259	G	25.5	Very low	25.9	Very low	76 Å²	76	134 Å²	134	78%	0.784	78%	0.781	S	S	*	*			cis	167.9	155.9	-5.1	0	0	0	0	0	107.9
260	A	27.3	Very low	25.8	Very low	98 Å²	98	137 Å²	137	81%	0.81	79%	0.789	S	S	*	*			cis	-161.3	-147.2	-5.8	0	0	0	0	0	108.7
261	Q	26.5	Very low	25.8	Very low	183 Å²	183	132.4 Å²	132.4	86%	0.855	78%	0.779	S	S	*	*			trans	72.7	100	169.6	-68.5	-167	-7.5	0	0	118
262	T	26.1	Very low	25.7	Very low	126 Å²	126	131.8 Å²	131.8	77%	0.773	78%	0.776	S	S	*	*				78.8	141.8	96.6	24.1	0	0	0	0	115.2
263	E	23.5	Very low	25.7	Very low	194 Å²	194	132.3 Å²	132.3	91%	0.907	78%	0.775	S	S	*	*			cis	-123.5	-157.9	10.4	-63.4	-170.7	127.9	0	0	113.8
264	A	26	Very low	25.6	Very low	87 Å²	87	133.5 Å²	133.5	72%	0.719	77%	0.774	S	S	*	*			trans	-142	160.5	-160.6	0	0	0	0	0	116.5
265	S	27.1	Very low	25.8	Very low	112 Å²	112	138.8 Å²	138.8	78%	0.783	78%	0.776	S	S	*	*			trans	57	125.5	155.8	-55.2	0	0	0	0	118.5
266	Q	27.9	Very low	25.8	Very low	180 Å²	180	138.8 Å²	138.8	84%	0.841	78%	0.776	S	S	*	*				-178.9	172.5	71.5	-84.8	-169.1	92.6	0	0	110.2
267	V	25.4	Very low	25.7	Very low	108 Å²	108	138.9 Å²	138.9	66%	0.655	77%	0.772	S	S	*	*			cis	-175.9	163.9	-33	74.3	0	0	0	0	108.2
268	R	26.1	Very low	25.8	Very low	210 Å²	210	140.5 Å²	140.5	79%	0.792	78%	0.777	S	S	*	*			trans	67.5	158.2	164.8	-82	-170.4	157.1	138.2	1.5	118.6
269	E	22.9	Very low	25.8	Very low	127 Å²	127	140.9 Å²	140.9	59%	0.593	77%	0.773	S	S	*	*			cis	-165.5	161.4	-31	-139.8	-179.8	125.6	0	0	109.3
270	L	24.6	Very low	25.9	Very low	147 Å²	147	141 Å²	141	77%	0.77	76%	0.761	S	S	*	*			trans	62.4	173.3	162.3	-57.8	170.4	0	0	0	118.4
271	S	23.5	Very low	25.8	Very low	85 Å²	85	144.4 Å²	144.4	59%	0.594	77%	0.765	S	S	*	*				-163.9	173.8	-56.7	67.1	0	0	0	0	111.6
272	L	25.1	Very low	25.7	Very low	146 Å²	146	140.9 Å²	140.9	76%	0.764	76%	0.761	S	S	*	*			trans	71.8	109.2	151.9	-69.7	171.1	0	0	0	122.9
273	T	25.5	Very low	25.6	Very low	124 Å²	124	138.7 Å²	138.7	76%	0.761	76%	0.763	S	S	*	*				59	129.4	128.3	57.1	0	0	0	0	124.4
274	N	29.1	Very low	25.8	Very low	157 Å²	157	133.2 Å²	133.2	84%	0.84	76%	0.759	S	S	*	*			trans	-69	147.1	151.8	-59.3	-48.7	0	0	0	112.3
275	R	27.2	Very low	25.8	Very low	227 Å²	227	138.1 Å²	138.1	86%	0.857	77%	0.767	S	S	*	*				173.8	133.4	120	-107.7	-171.3	163.9	-169.2	-5	116
276	T	25.9	Very low	25.9	Very low	120 Å²	120	141.3 Å²	141.3	74%	0.736	77%	0.773	S	S	*	*			trans	60	166.3	147.5	52.1	0	0	0	0	117.7
277	T	25	Very low	25.7	Very low	126 Å²	126	139.5 Å²	139.5	77%	0.773	77%	0.769	S	S	*	*			cis	-148.1	-177.6	20.7	-27.7	0	0	0	0	111.9
278	N	27	Very low	25.7	Very low	148 Å²	148	139.5 Å²	139.5	79%	0.791	77%	0.77	S	S	*	*			trans	-74.5	-173.4	-178.1	-60.9	-18.8	0	0	0	114.4
279	E	25.5	Very low	25.7	Very low	178 Å²	178	136 Å²	136	83%	0.832	77%	0.766	S	S	*	*			trans	93.8	147.2	153.6	-59.4	-135.9	77.4	0	0	118.1
280	S	26.4	Very low	26	Very low	77 Å²	77	134.5 Å²	134.5	54%	0.538	77%	0.769	S	S	.	*			cis	-171.5	158.2	-21.1	-100.5	0	0	0	0	110
281	L	26.4	Very low	26.3	Very low	170 Å²	170	134.4 Å²	134.4	89%	0.89	77%	0.765	S	S	*	*			trans	62.8	167.6	163.9	-62.9	157.8	0	0	0	115.6
282	S	24.2	Very low	26.7	Very low	110 Å²	110	138 Å²	138	77%	0.769	77%	0.772	S	S	*	*			cis	-148.7	152	-32.3	50.1	0	0	0	0	107.2
283	G	24.1	Very low	26.9	Very low	79 Å²	79	135 Å²	135	81%	0.814	76%	0.763	S	S	*	*				103.5	155	95.7	0	0	0	0	0	111.9
284	G	25.9	Very low	27.2	Very low	80 Å²	80	136.6 Å²	136.6	83%	0.825	76%	0.762	S	S	*	*			trans	110.6	106	172.1	0	0	0	0	0	116
285	E	26.6	Very low	27.4	Very low	190 Å²	190	137.3 Å²	137.3	89%	0.888	76%	0.76	S	S	*	*			trans	-89.4	141.9	166.1	-52.6	169.6	116.6	0	0	110.3
286	I	28.6	Very low	27.3	Very low	178 Å²	178	129.8 Å²	129.8	91%	0.913	75%	0.753	S	S	*	*			trans	-141.7	154.4	147.4	-74.2	101.9	0	0	0	108.6
287	N	25	Very low	27.6	Very low	142 Å²	142	132.8 Å²	132.8	76%	0.759	76%	0.759	S	S	*	*			trans	-105.6	163.1	-156	-132	-17.5	0	0	0	114.4
288	V	25.9	Very low	27.7	Very low	109 Å²	109	130.6 Å²	130.6	66%	0.661	75%	0.748	S	S	*	*			trans	82.1	122.2	138	158.2	0	0	0	0	123.1
289	L	25.7	Very low	27.7	Very low	136 Å²	136	129.7 Å²	129.7	71%	0.712	75%	0.748	S	S	*	*			trans	48.3	122.2	143.2	-58	176.7	0	0	0	120.7
290	S	28.8	Very low	27.8	Very low	96 Å²	96	126.2 Å²	126.2	67%	0.671	74%	0.744	S	S	*	*				81.6	128.5	60.9	-64.1	0	0	0	0	115.3
291	H	31.9	Very low	27.8	Very low	144 Å²	144	129.1 Å²	129.1	67%	0.667	75%	0.753	S	S	*	*				168.6	147.6	115	-100.9	-88.7	0	0	0	115.6
292	H	31.4	Very low	27.8	Very low	160 Å²	160	126 Å²	126	74%	0.741	74%	0.741	S	S	*	*			trans	64	151.6	149.9	-70.1	-48.9	0	0	0	121.1
293	S	28.5	Very low	27.9	Very low	83 Å²	83	128.4 Å²	128.4	58%	0.58	75%	0.746	S	S	*	*			cis	-159.8	165.9	-11.5	-121.4	0	0	0	0	114.3
294	Q	33.2	Very low	27.9	Very low	158 Å²	158	128.1 Å²	128.1	74%	0.738	74%	0.743	S	S	*	*			trans	6.3	159.8	136.5	-67.7	172.6	-6.4	0	0	120.7
295	H	31.3	Very low	27.9	Very low	173 Å²	173	130.1 Å²	130.1	80%	0.801	74%	0.744	S	S	*	*			cis	-163.1	169.1	6.7	-119.5	-53.5	0	0	0	109
296	G	25.7	Very low	28.3	Very low	69 Å²	69	127.4 Å²	127.4	71%	0.711	74%	0.743	S	S	*	*			trans	167.5	139.7	164.9	0	0	0	0	0	116.8
297	Q	32.1	Very low	28.2	Very low	183 Å²	183	127.3 Å²	127.3	86%	0.855	74%	0.738	S	S	*	*			trans	-166.9	165.2	-173.9	-93.4	-156.2	60.3	0	0	109.5
298	S	27.7	Very low	28.2	Very low	80 Å²	80	129.1 Å²	129.1	56%	0.559	74%	0.742	S	S	*	*			cis	-168.1	-174.3	-5.2	-110.8	0	0	0	0	110.6
299	T	27.8	Very low	28.2	Very low	128 Å²	128	129 Å²	129	79%	0.785	75%	0.746	S	S	*	*			trans	79.1	124.5	167.7	78	0	0	0	0	115.3
300	S	26.9	Very low	28.1	Very low	106 Å²	106	130.2 Å²	130.2	74%	0.741	75%	0.753	S	S	*	*				83.5	143.8	75.3	98.4	0	0	0	0	113.6
301	N	26.8	Very low	28	Very low	137 Å²	137	131.4 Å²	131.4	73%	0.733	76%	0.761	S	S	*	*			cis	-163	175.3	10.1	-151.6	-3.5	0	0	0	113.2
302	T	26	Very low	27.7	Very low	104 Å²	104	134 Å²	134	64%	0.638	77%	0.771	S	S	*	*			trans	72.2	137.7	150.6	41.9	0	0	0	0	125.3
303	N	25.4	Very low	27.3	Very low	162 Å²	162	138.4 Å²	138.4	87%	0.866	78%	0.781	S	S	*	*			trans	81.6	132.1	144.2	-65.2	-6.4	0	0	0	122.9
304	G	23.9	Very low	27.2	Very low	73 Å²	73	139.5 Å²	139.5	75%	0.753	79%	0.788	S	S	*	*			trans	150.3	107.9	160.4	0	0	0	0	0	115.7
305	S	26.6	Very low	26.7	Very low	121 Å²	121	141.2 Å²	141.2	85%	0.846	79%	0.793	S	S	*	*			trans	-151.9	141.9	164.4	-63.6	0	0	0	0	110.4
306	P	35.4	Very low	26.4	Very low	134 Å²	134	139.4 Å²	139.4	87%	0.87	79%	0.794	S	S	*	*			trans	-134.4	-174.2	137.5	31.7	-15.2	0	0	0	113
307	Q	27.5	Very low	26.3	Very low	175 Å²	175	143.1 Å²	143.1	82%	0.818	80%	0.803	S	S	*	*			trans	-101.5	-172.7	-164.1	-66	169.3	-122.5	0	0	114.5
308	E	24.6	Very low	25.9	Very low	180 Å²	180	141.7 Å²	141.7	84%	0.841	80%	0.796	S	S	*	*			trans	92.1	143.6	153	-56.5	-138.1	137.5	0	0	118
309	S	24.6	Very low	25.7	Very low	106 Å²	106	147.6 Å²	147.6	74%	0.741	81%	0.806	S	S	*	*			cis	-152.3	174.7	-8.2	47.2	0	0	0	0	113.7
310	L	24.5	Very low	25.5	Very low	163 Å²	163	147.7 Å²	147.7	85%	0.853	80%	0.802	S	S	*	*			trans	-73.3	154.5	-174.7	-58.5	135.4	0	0	0	114.7
311	S	25.6	Very low	25.3	Very low	120 Å²	120	149 Å²	149	84%	0.839	81%	0.81	S	S	*	*				-168	119.8	121.3	61.4	0	0	0	0	117.3
312	K	25.5	Very low	25.1	Very low	200 Å²	200	148.3 Å²	148.3	87%	0.87	82%	0.815	S	S	*	*			trans	-28.4	146.3	156.2	-56.3	156.7	177.8	171.5	0	118.4
313	R	23.9	Very low	25.1	Very low	252 Å²	252	150.8 Å²	150.8	95%	0.951	82%	0.824	S	S	*	*				-158.2	158.3	121.3	-149.1	167.9	-171.3	169.9	4.9	113
314	S	25.8	Very low	25	Very low	105 Å²	105	152.6 Å²	152.6	73%	0.734	83%	0.827	S	S	*	*			trans	-142.8	149.2	-178.2	54.4	0	0	0	0	113.3
315	K	24	Very low	25.2	Very low	194 Å²	194	154.8 Å²	154.8	84%	0.843	83%	0.826	S	S	*	*			trans	165	128.4	158.1	-94	168.2	-177.6	-169.4	0	106.6
316	T	23.6	Very low	25.2	Very low	136 Å²	136	155.5 Å²	155.5	83%	0.834	83%	0.826	S	S	*	*			cis	76.8	95.5	47.7	-48.2	0	0	0	0	114.1
317	V	24.3	Very low	25.4	Very low	147 Å²	147	155 Å²	155	89%	0.891	82%	0.822	S	S	*	*			trans	-155	155.6	151.5	164.5	0	0	0	0	108.1
318	E	22.9	Very low	25.4	Very low	152 Å²	152	156.5 Å²	156.5	71%	0.71	83%	0.826	S	S	*	*			trans	-89.5	169.6	-178.5	-55.4	-172.7	133.5	0	0	115.6
319	R	24.6	Very low	25.5	Very low	204 Å²	204	159.1 Å²	159.1	77%	0.77	83%	0.828	S	S	*	*				104	146.1	127.4	-116.1	-170.4	164.2	117.6	-9.5	121.4
320	N	23.4	Very low	25.6	Very low	131 Å²	131	162.5 Å²	162.5	70%	0.701	83%	0.832	S	S	*	*			trans	65.4	92.1	159.1	-64.4	-3.3	0	0	0	119.4
321	C	22.4	Very low	25.6	Very low	133 Å²	133	166.4 Å²	166.4	90%	0.899	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-82.3	137.5	143.9	-64.6	0	0	0	0	109.8
322	S	22.1	Very low	25.7	Very low	122 Å²	122	165.7 Å²	165.7	85%	0.853	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-95	136.9	167.1	-66	0	0	0	0	110.4
323	L	26.4	Very low	25.8	Very low	157 Å²	157	161.3 Å²	161.3	82%	0.822	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-101.9	135.5	172.3	-72.5	166.1	0	0	0	109.6	T325	L323-T325 HydrophobicContact CB-CG2 4.32Å
324	E	23.8	Very low	26.2	Very low	199 Å²	199	155.4 Å²	155.4	93%	0.93	83%	0.829	S	S	*	*			trans	-107.3	146.6	151.6	-77.7	-141.9	125.2	0	0	110
325	T	27.4	Very low	26.3	Very low	120 Å²	120	153.6 Å²	153.6	74%	0.736	83%	0.827	S	S	*	*			trans	-149.3	136.1	-170	62.7	0	0	0	0	111.8	L323	L323-T325 HydrophobicContact CB-CG2 4.32Å
326	T	27.3	Very low	26.6	Very low	136 Å²	136	152 Å²	152	83%	0.834	82%	0.823	S	S	*	*			trans	-145	159.4	159.2	59	0	0	0	0	110.3
327	P	38.6	Very low	26.7	Very low	122 Å²	122	155.7 Å²	155.7	79%	0.792	82%	0.821	S	S	*	*				-130.8	157.1	-52.5	36	-23	0	0	0	113.3
328	K	29.2	Very low	26.9	Very low	207 Å²	207	159.8 Å²	159.8	90%	0.9	82%	0.821	S	S	*	*			trans	-127.5	143.7	166	-81.9	-179.7	177.5	171.2	0	110.6
329	R	25.9	Very low	27.1	Very low	235 Å²	235	162.3 Å²	162.3	89%	0.887	83%	0.829	S	S	*	*			trans	-131.1	93	168.9	-161.5	175.8	-171.5	-147.8	1.1	108.6
330	Q	25.8	Very low	27.4	Very low	178 Å²	178	158 Å²	158	83%	0.832	83%	0.83	S	S	*	*				75.8	134.6	86.2	-77.6	-173	-14	0	0	114.6
331	R	25.9	Very low	28.3	Very low	245 Å²	245	157.9 Å²	157.9	93%	0.925	84%	0.837	S	S	*	*			trans	-136.3	130.9	169.2	-170.2	179.9	-169.7	-178.1	3.3	107.4
332	A	27.3	Very low	28.5	Very low	105 Å²	105	155.6 Å²	155.6	87%	0.868	84%	0.836	S	S	*	*			trans	-78.9	161.9	-172.6	0	0	0	0	0	113.8
333	S	28.4	Very low	28.7	Very low	107 Å²	107	153.3 Å²	153.3	75%	0.748	83%	0.831	S	S	*	*			trans	-157.3	177.3	176.8	70.5	0	0	0	0	112.7
334	S	30.5	Very low	28.8	Very low	128 Å²	128	155.7 Å²	155.7	90%	0.895	84%	0.835	S	S	*	*			trans	73.8	151	-178.6	81.8	0	0	0	0	116.2
335	G	27.7	Very low	28.9	Very low	68 Å²	68	150.8 Å²	150.8	70%	0.701	83%	0.829	S	S	*	*			cis	-145.6	-163.8	-5.9	0	0	0	0	0	110.1
336	Q	31.3	Very low	28.9	Very low	161 Å²	161	150.4 Å²	150.4	75%	0.752	83%	0.831	S	S	*	*			cis	-139.7	-153	1	-58.4	179.8	19.4	0	0	106.8
337	R	26.1	Very low	29.6	Very low	213 Å²	213	149 Å²	149	80%	0.804	82%	0.824	S	S	*	*			cis	-158.1	154.3	2.3	-149.8	170.5	-130.7	-158.1	1	111.1
338	R	28.9	Very low	28.9	Very low	232 Å²	232	152 Å²	152	88%	0.875	83%	0.825	S	S	*	*			trans	-19.9	138.5	168.6	-58.9	170.9	175.3	176.6	-3.7	120
339	K	26.3	Very low	28.7	Very low	205 Å²	205	147 Å²	147	89%	0.891	81%	0.812	S	S	*	*				-173.7	155.3	106.2	-103.2	-177.6	179.7	-175.3	0	114.3
340	S	30.4	Very low	28.8	Very low	113 Å²	113	142.8 Å²	142.8	79%	0.79	80%	0.802	S	S	*	*			trans	-149.2	172.7	167.6	-39.6	0	0	0	0	106.4
341	P	43.2	Very low	28.7	Very low	130 Å²	130	143.7 Å²	143.7	84%	0.844	80%	0.798	S	S	*	*				-153.6	-178.4	56.5	42.7	-21.4	0	0	0	118
342	G	25.2	Very low	28.7	Very low	84 Å²	84	138.7 Å²	138.7	87%	0.866	79%	0.789	S	S	*	*			trans	83.6	149.2	164.6	0	0	0	0	0	115.5
343	G	27.1	Very low	28.6	Very low	74 Å²	74	139.2 Å²	139.2	76%	0.763	78%	0.781	S	S	*	*			cis	157.8	149	-1.5	0	0	0	0	0	108.1
344	K	28	Very low	28.4	Very low	208 Å²	208	141.7 Å²	141.7	90%	0.904	79%	0.785	S	S	*	*			cis	-148.8	174.3	12.4	-61.4	172.2	175.9	175.4	0	109.9
345	A	26.2	Very low	28.1	Very low	96 Å²	96	140.3 Å²	140.3	79%	0.793	78%	0.781	S	S	*	*			trans	51.3	112.1	143.7	0	0	0	0	0	121.7
346	S	26.8	Very low	28.1	Very low	112 Å²	112	142.5 Å²	142.5	78%	0.783	79%	0.786	S	S	*	*			trans	-69.8	-176.4	140	-23.8	0	0	0	0	109.9
347	P	42.4	Very low	28.9	Very low	105 Å²	105	139.9 Å²	139.9	68%	0.682	78%	0.783	S	S	*	*			cis	-146.6	-166	29.6	28	1.1	0	0	0	117
348	F	24.5	Very low	29.5	Very low	187 Å²	187	135.9 Å²	135.9	82%	0.82	78%	0.784	S	S	*	*			trans	79.1	148.7	170	-66.1	-94.5	0	0	0	119.1
349	T	25.7	Very low	29.3	Very low	101 Å²	101	130.3 Å²	130.3	62%	0.62	78%	0.777	S	S	*	*			cis	-179.9	136.9	-36.9	-90.8	0	0	0	0	107.4
350	E	27.1	Very low	29.2	Very low	147 Å²	147	127.6 Å²	127.6	69%	0.687	77%	0.771	S	S	*	*			trans	59.8	164	170.2	-75.5	-169.8	134.3	0	0	116.4
351	R	23.9	Very low	29	Very low	197 Å²	197	129.2 Å²	129.2	74%	0.743	77%	0.768	S	S	*	*			cis	-145.5	176.8	-7.3	-133.7	173.9	-155.1	-155	8.8	111.7
352	L	25.3	Very low	28.1	Very low	140 Å²	140	127.5 Å²	127.5	73%	0.733	76%	0.759	S	S	*	*			trans	-36.6	159	158.8	-53.1	166.2	0	0	0	113.6
353	T	24.6	Very low	28.1	Very low	115 Å²	115	128 Å²	128	71%	0.706	75%	0.749	S	S	*	*			cis	-166.3	159.3	30	-22.3	0	0	0	0	112.6
354	L	25.5	Very low	28.1	Very low	160 Å²	160	131.1 Å²	131.1	84%	0.838	75%	0.748	S	S	*	*			trans	37.1	148.7	144.8	-109.1	69.9	0	0	0	125.2
355	A	24.7	Very low	28.1	Very low	98 Å²	98	126.2 Å²	126.2	81%	0.81	74%	0.74	S	S	*	*			trans	93.4	139.6	146.1	0	0	0	0	0	120.8
356	S	26.5	Very low	28.3	Very low	114 Å²	114	128.6 Å²	128.6	80%	0.797	74%	0.735	S	S	*	*			trans	-139.5	-178	175.9	47.1	0	0	0	0	107.6
357	P	48.6	Very low	28.4	Very low	107 Å²	107	131 Å²	131	70%	0.695	74%	0.739	S	S	*	*			cis	-115.6	-159.1	-19.8	37.2	-17.9	0	0	0	110.4
358	P	38.2	Very low	27.6	Very low	128 Å²	128	134.5 Å²	134.5	83%	0.831	74%	0.743	S	S	*	*				-145.2	-153.8	80.6	40	-19.9	0	0	0	114
359	T	24.4	Very low	28.1	Very low	116 Å²	116	130.8 Å²	130.8	71%	0.712	74%	0.738	S	S	*	*			trans	-138.7	168	-155.7	-37	0	0	0	0	112
360	L	25.9	Very low	28.1	Very low	148 Å²	148	132.4 Å²	132.4	78%	0.775	75%	0.747	S	S	*	*			trans	78.3	148.3	166.7	-50.7	172.4	0	0	0	115.3
361	M	24.5	Very low	27.8	Very low	146 Å²	146	130.6 Å²	130.6	72%	0.719	75%	0.749	S	S	*	*			cis	-162.2	151.1	-10.5	-105.1	-90.2	84.3	0	0	110.1
362	S	24.3	Very low	28.2	Very low	95 Å²	95	126.2 Å²	126.2	66%	0.664	75%	0.749	S	S	*	*			trans	61.9	157.7	144.2	-66.2	0	0	0	0	120.8
363	S	26.8	Very low	28.8	Very low	93 Å²	93	125 Å²	125	65%	0.65	75%	0.749	S	S	*	*			cis	-159.6	151.7	-2.5	26.7	0	0	0	0	112
364	D	26.4	Very low	28.7	Very low	141 Å²	141	131 Å²	131	75%	0.754	76%	0.759	S	S	*	*			trans	63.7	157.4	149.9	-59.5	-23.8	0	0	0	120.3
365	S	27.3	Very low	28.9	Very low	105 Å²	105	129.4 Å²	129.4	73%	0.734	76%	0.761	S	S	*	*			cis	-139.6	127.7	4.4	53.3	0	0	0	0	114.6
366	H	30.4	Very low	29	Very low	146 Å²	146	129.6 Å²	129.6	68%	0.676	76%	0.763	S	S	*	*			trans	32.2	121.1	134.4	-68.6	-92.1	0	0	0	122.5
367	N	29	Very low	29.2	Very low	162 Å²	162	129.7 Å²	129.7	87%	0.866	76%	0.764	S	S	*	*				-149.4	158.5	98.8	-118.7	-35	0	0	0	113.7
368	K	26	Very low	28.2	Very low	179 Å²	179	128 Å²	128	78%	0.778	77%	0.765	S	S	*	*			trans	-156.3	-179.1	-167.6	-113.9	175.6	-174.6	172.1	0	108
369	P	35.8	Very low	27.9	Very low	108 Å²	108	133.4 Å²	133.4	70%	0.701	77%	0.769	S	S	*	*			cis	-151.7	179	33.1	44	-22.9	0	0	0	119.1
370	V	24.3	Very low	28.1	Very low	135 Å²	135	133.6 Å²	133.6	82%	0.818	78%	0.775	S	S	*	*			trans	68.1	140.2	146.1	156.9	0	0	0	0	117.3
371	C	21.9	Very low	28.4	Very low	109 Å²	109	131.6 Å²	131.6	74%	0.736	77%	0.774	S	S	*	*			cis	-142.8	153.5	33.9	-161	0	0	0	0	116.8
372	S	31.1	Very low	29	Very low	106 Å²	106	131.5 Å²	131.5	74%	0.741	78%	0.784	S	S	*	*			trans	-155.8	160.4	155.8	-75.7	0	0	0	0	105.5
373	P	37.8	Very low	29.5	Very low	113 Å²	113	130 Å²	130	73%	0.734	78%	0.783	S	S	*	*			cis	-139	-170.7	20.8	42.5	-24.3	0	0	0	114.5
374	R	23.3	Very low	30.3	Very low	242 Å²	242	130.7 Å²	130.7	91%	0.913	79%	0.788	S	S	*	*				178.7	149.3	118.8	-100.2	-178.4	178	-139.3	-2.3	113.9
375	S	30.7	Very low	31.6	Very low	126 Å²	126	127.6 Å²	127.6	88%	0.881	78%	0.776	S	S	*	*			trans	-79.7	144.8	175.7	-39.9	0	0	0	0	112.3
376	A	25.4	Very low	33.1	Very low	103 Å²	103	126.6 Å²	126.6	85%	0.851	77%	0.774	S	S	*	*			trans	-130.9	103	167.4	0	0	0	0	0	110.2	G378	A376-G378 PolarHBondContact O-N 3.41Å
377	S	31.8	Very low	34.6	Very low	115 Å²	115	120.2 Å²	120.2	80%	0.804	75%	0.745	S	S	*	*			trans	-66.3	112.9	-173	53	0	0	0	0	113.9
378	G	26.9	Very low	36.3	Very low	71 Å²	71	115.8 Å²	115.8	73%	0.732	72%	0.72	S	S	*	*			trans	-87.5	102.1	157.6	0	0	0	0	0	110.2	A376 S380	A376-G378 PolarHBondContact O-N 3.41Å; G378-S380 PolarHBondContact O-N 3.08Å
379	R	31	Very low	38.8	Very low	243 Å²	243	115.1 Å²	115.1	92%	0.917	72%	0.717	S	S	*	*			trans	-70.1	99.1	175.5	-79.7	-174	174.3	-173.6	-1.7	110.6
380	S	29.1	Very low	41.3	Very low	119 Å²	119	115.3 Å²	115.3	83%	0.832	70%	0.704	S	S	*	*			trans	-77.7	119.2	159.7	-63.8	0	0	0	0	109.2	G378	G378-S380 PolarHBondContact O-N 3.08Å
381	S	32.2	Very low	44.3	Very low	106 Å²	106	111.4 Å²	111.4	74%	0.741	68%	0.679	S	S	*	*			trans	-61.4	149.1	175.1	-55	0	0	0	0	111.5	G383	S381-G383 PolarHBondContact O-N 3.38Å
382	P	37.6	Very low	47.4	Very low	145 Å²	145	113.7 Å²	113.7	94%	0.942	68%	0.678	S	S	*	*			trans	-68.4	96.4	175.4	28.5	-34	0	0	0	110
383	G	35.6	Very low	49.8	Very low	62 Å²	62	114.2 Å²	114.2	64%	0.639	66%	0.664	S	S	*	*			trans	-142.2	89.8	-172.5	0	0	0	0	0	112.6	S381	S381-G383 PolarHBondContact O-N 3.38Å
384	S	42.9	Very low	52.1	Low	109 Å²	109	108.9 Å²	108.9	76%	0.762	63%	0.629	S	S	*	*			trans	64.1	122.6	173.8	-54.6	0	0	0	0	116.5
385	P	54.5	Low	55.4	Low	76 Å²	76	97.9 Å²	97.9	49%	0.494	59%	0.588	S	S	.	*			trans	-64.6	146.9	172.5	28.7	-34.2	0	0	0	110.8	V387 M388	P385-V387 HydrophobicContact CB-CG2 4.37Å; P385-V387 PolarHBondContact O-N 3.26Å; P385-M388 HydrophobicContact CG-CG 4.05Å; P385-M388 PolarHBondContact O-N 2.91Å
386	A	58.2	Low	58.4	Low	84 Å²	84	92.1 Å²	92.1	69%	0.694	55%	0.548	S	S	*	.	G	3₁₀ helix	trans	-58.4	-26.3	-176.1	0	0	0	0	0	113.5	M388 K389	A386-M388 PolarHBondContact O-N 3.35Å; A386-K389 WeakPolarHBondContact O-CB 3.29Å; A386-K389 PolarHBondContact O-N 3.45Å
387	V	61.4	Low	61.6	Low	12 Å²	12	89.1 Å²	89.1	7%	0.073	52%	0.52	C	S	.	.	G	3₁₀ helix	trans	-48.8	-34.6	170.8	-170.1	0	0	0	0	113.1	P385 P397 L413 Q416 A418	P385-V387 HydrophobicContact CB-CG2 4.37Å; P385-V387 PolarHBondContact O-N 3.26Å; V387-P397 WeakPolarHBondContact O-CD 3.43Å; V387-L413 HydrophobicContact CG1-CD2 4.19Å; V387-Q416 HydrophobicContact CG2-CB 3.77Å; V387-A418 HydrophobicContact CG1-CB 3.55Å
388	M	65.1	Low	64.7	Low	69 Å²	69	83.7 Å²	83.7	34%	0.34	48%	0.482	S	S	.	.	G	3₁₀ helix	trans	-87.9	1.4	-177.7	-67.9	-72.9	178.3	0	0	113.7	P385 A386 R390 G417 D419	P385-M388 HydrophobicContact CG-CG 4.05Å; P385-M388 PolarHBondContact O-N 2.91Å; A386-M388 PolarHBondContact O-N 3.35Å; M388-R390 PolarHBondContact O-N 3.44Å; M388-R390 VanDerWaalsContact O-N 3.08Å; M388-G417 VanDerWaalsContact CE-O 3.3Å; M388-G417 WeakPolarHBondContact CE-O 3.41Å; M388-D419 HydrophobicContact CE-CB 4.27Å
389	K	77.6	Confident	68	Low	165 Å²	165	80.3 Å²	80.3	72%	0.717	45%	0.447	S	S	*	.			trans	-76.4	101.2	-172	-171.1	179	-179.3	-179.5	0	112	A386	A386-K389 WeakPolarHBondContact O-CB 3.29Å; A386-K389 PolarHBondContact O-N 3.45Å
390	R	88.4	Confident	71.1	Confident	111 Å²	111	72 Å²	72	42%	0.419	42%	0.42	S	S	.	.			trans	-68.7	148.8	176.7	-60.6	-179.4	178.2	-129.9	9.8	113.1	M388 G394 E395 T396 L422 K423	M388-R390 PolarHBondContact O-N 3.44Å; M388-R390 VanDerWaalsContact O-N 3.08Å; R390-G394 VanDerWaalsContact CD-O 3.3Å; R390-G394 WeakPolarHBondContact CD-O 3.45Å; R390-G394 WeakPolarHBondContact CG-O 3.23Å; R390-G394 PolarHBondContact NH1-O 2.79Å; R390-E395 CarbonylContact C-O 3.55Å; R390-E395 VanDerWaalsContact CA-O 3.25Å; R390-E395 WeakPolarHBondContact CA-O 3.36Å; R390-T396 HydrophobicContact CG-CG2 4.08Å; R390-L422 VanDerWaalsContact NH2-CG 3.27Å; R390-K423 PolarHBondContact NH1-O 2.79Å; R390-K423 PolarHBondContact NH2-O 3.37Å
391	N	88.3	Confident	74.3	Confident	54 Å²	54	66.5 Å²	66.5	29%	0.289	38%	0.382	S	S	.	.			trans	-91.1	-171.6	169.2	79	21.8	0	0	0	112.2	R393 G394 E395	N391-R393 PolarHBondContact O-N 2.98Å; N391-R393 WeakPolarHBondContact OD1-CA 3.35Å; N391-R393 PolarHBondContact OD1-N 3.18Å; N391-G394 PolarHBondContact O-N 3.31Å; N391-E395 PolarHBondContact N-O 2.84Å; N391-E395 PolarHBondContact ND2-OE2 3.32Å
392	H	85.7	Confident	77.3	Confident	157 Å²	157	61.5 Å²	61.5	73%	0.727	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-9.9	-176.6	73.3	79.7	0	0	0	115.1	N425	H392-N425 PolarHBondContact O-ND2 3.3Å
393	R	81.8	Confident	80.1	Confident	117 Å²	117	57 Å²	57	44%	0.442	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	3.7	169	-60.8	-169.3	-62.5	-86.9	-3.3	112.4	N391 E395 N425	N391-R393 PolarHBondContact O-N 2.98Å; N391-R393 WeakPolarHBondContact OD1-CA 3.35Å; N391-R393 PolarHBondContact OD1-N 3.18Å; R393-E395 HydrophobicContact CB-CG 4.2Å; R393-E395 IonicContact CZ-OE1 2.73Å; R393-E395 IonicContact CZ-OE2 2.72Å; R393-E395 IonicContact NE-OE1 3.7Å; R393-E395 PolarHBondContact NE-OE1 3.24Å; R393-E395 IonicContact NE-OE2 3.73Å; R393-E395 IonicContact NH2-OE1 3.4Å; R393-E395 PolarHBondContact NH2-OE1 3.27Å; R393-E395 IonicContact NH2-OE2 3.39Å; R393-E395 PolarHBondContact NH2-OE2 3.29Å; R393-E395 PolarHBondContact O-N 3.3Å; R393-N425 VanDerWaalsContact C-ND2 3.27Å; R393-N425 WeakPolarHBondContact O-CB 3.43Å; R393-N425 PolarHBondContact O-N 2.9Å
394	G	87	Confident	83	Confident	1 Å²	1	61.3 Å²	61.3	1%	0.01	32%	0.316	C	S	.	.	S	Bend	trans	84.9	-12.4	-179.3	0	0	0	0	0	114.6	R390 N391 N425	R390-G394 VanDerWaalsContact CD-O 3.3Å; R390-G394 WeakPolarHBondContact CD-O 3.45Å; R390-G394 WeakPolarHBondContact CG-O 3.23Å; R390-G394 PolarHBondContact NH1-O 2.79Å; N391-G394 PolarHBondContact O-N 3.31Å; G394-N425 VanDerWaalsContact CA-OD1 3.29Å; G394-N425 WeakPolarHBondContact CA-OD1 3.4Å; G394-N425 PolarHBondContact N-ND2 3.41Å
395	E	91.8	Very high	85.4	Confident	10 Å²	10	57 Å²	57	5%	0.047	29%	0.288	C	S	.	.			trans	-56.9	136.3	176.4	-62.2	164.7	-172.9	0	0	112.2	R390 N391 R393 H399 L400 D424	R390-E395 CarbonylContact C-O 3.55Å; R390-E395 VanDerWaalsContact CA-O 3.25Å; R390-E395 WeakPolarHBondContact CA-O 3.36Å; N391-E395 PolarHBondContact N-O 2.84Å; N391-E395 PolarHBondContact ND2-OE2 3.32Å; R393-E395 HydrophobicContact CB-CG 4.2Å; R393-E395 IonicContact CZ-OE1 2.73Å; R393-E395 IonicContact CZ-OE2 2.72Å; R393-E395 IonicContact NE-OE1 3.7Å; R393-E395 PolarHBondContact NE-OE1 3.24Å; R393-E395 IonicContact NE-OE2 3.73Å; R393-E395 IonicContact NH2-OE1 3.4Å; R393-E395 PolarHBondContact NH2-OE1 3.27Å; R393-E395 IonicContact NH2-OE2 3.39Å; R393-E395 PolarHBondContact NH2-OE2 3.29Å; R393-E395 PolarHBondContact O-N 3.3Å; E395-H399 HydrophobicContact CB-CB 3.94Å; E395-H399 HydrophobicContact CG-CB 4.27Å; E395-L400 VanDerWaalsContact OE2-CD2 3.31Å; E395-L400 WeakPolarHBondContact OE2-CD2 3.46Å; E395-D424 HydrophobicContact CG-CB 4.45Å
396	T	93.7	Very high	87.4	Confident	5 Å²	5	56.1 Å²	56.1	3%	0.031	28%	0.279	C	S	.	.			trans	-89.8	168.1	167.7	62.8	0	0	0	0	111.5	R390 L398 H399 L400 L422	R390-T396 HydrophobicContact CG-CG2 4.08Å; T396-L398 PolarHBondContact O-N 2.86Å; T396-L398 VanDerWaalsContact O-N 3.12Å; T396-L398 PolarHBondContact OG1-N 3.19Å; T396-H399 PolarHBondContact N-ND1 2.81Å; T396-H399 VanDerWaalsContact N-ND1 3.18Å; T396-H399 WeakPolarHBondContact O-CB 3.2Å; T396-H399 PolarHBondContact O-N 3.07Å; T396-H399 PolarHBondContact OG1-N 3.19Å; T396-H399 PolarHBondContact OG1-ND1 2.68Å; T396-L400 PolarHBondContact O-N 3.22Å; T396-L422 HydrophobicContact CG2-CD2 3.59Å
397	P	94.1	Very high	89.2	Confident	40 Å²	40	54.1 Å²	54.1	26%	0.26	26%	0.258	S	S	.	.	H	α-helix	trans	-48	-33.9	166	-30.4	36.5	0	0	0	114.2	V387 L400 A401 L413	V387-P397 WeakPolarHBondContact O-CD 3.43Å; P397-L400 PolarHBondContact O-N 3.47Å; P397-A401 PolarHBondContact O-N 3.42Å; P397-L413 HydrophobicContact CB-CD1 3.84Å; P397-L413 HydrophobicContact CB-CD2 3.94Å; P397-L413 WeakPolarHBondContact O-CD1 3.46Å
398	L	96.3	Very high	90.8	Very high	1 Å²	1	58.4 Å²	58.4	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-69.8	-35.3	178.6	-175.6	63.7	0	0	0	112.5	T396 A401 A402 V410 L413 L414 A418 P420 P430 L446	T396-L398 PolarHBondContact O-N 2.86Å; T396-L398 VanDerWaalsContact O-N 3.12Å; T396-L398 PolarHBondContact OG1-N 3.19Å; L398-A401 PolarHBondContact O-N 3.05Å; L398-A402 WeakPolarHBondContact O-CB 3.08Å; L398-A402 PolarHBondContact O-N 3.33Å; L398-V410 HydrophobicContact CD1-CB 4.34Å; L398-V410 HydrophobicContact CD1-CG1 4.15Å; L398-V410 HydrophobicContact CD1-CG2 4.23Å; L398-L413 HydrophobicContact CB-CD1 4.4Å; L398-L413 HydrophobicContact CD1-CB 4.16Å; L398-L414 HydrophobicContact CD1-CD1 4.35Å; L398-L414 HydrophobicContact CD1-CD2 4.37Å; L398-L414 HydrophobicContact CD1-CG 4.03Å; L398-L414 HydrophobicContact CD2-CD2 3.65Å; L398-L414 HydrophobicContact CD2-CG 4.21Å; L398-A418 HydrophobicContact CB-CB 4.22Å; L398-A418 HydrophobicContact CD2-CB 3.84Å; L398-P420 HydrophobicContact CD2-CB 4.38Å; L398-P430 HydrophobicContact CB-CG 4.25Å; L398-P430 HydrophobicContact CD2-CB 4.32Å; L398-P430 HydrophobicContact CD2-CG 3.92Å; L398-P430 HydrophobicContact CG-CB 3.98Å; L398-P430 HydrophobicContact CG-CG 3.8Å; L398-L446 HydrophobicContact CD1-CD2 4.23Å; L398-L446 HydrophobicContact CD2-CD2 4.19Å; L398-L446 HydrophobicContact CG-CD2 4.34Å
399	H	95.9	Very high	92.2	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-61.9	-47.8	169.3	-65.9	69.9	0	0	0	109.8	E395 T396 A401 A402 I403 L422 W428	E395-H399 HydrophobicContact CB-CB 3.94Å; E395-H399 HydrophobicContact CG-CB 4.27Å; T396-H399 PolarHBondContact N-ND1 2.81Å; T396-H399 VanDerWaalsContact N-ND1 3.18Å; T396-H399 WeakPolarHBondContact O-CB 3.2Å; T396-H399 PolarHBondContact O-N 3.07Å; T396-H399 PolarHBondContact OG1-N 3.19Å; T396-H399 PolarHBondContact OG1-ND1 2.68Å; H399-A401 VanDerWaalsContact C-N 3.27Å; H399-A401 PolarHBondContact O-N 2.97Å; H399-A402 PolarHBondContact O-N 3.42Å; H399-A402 VanDerWaalsContact O-N 3.15Å; H399-I403 HydrophobicContact CB-CD1 4.49Å; H399-I403 WeakPolarHBondContact O-CB 3.37Å; H399-I403 WeakPolarHBondContact O-CD1 3.43Å; H399-I403 WeakPolarHBondContact O-CG1 2.9Å; H399-I403 PolarHBondContact O-N 3.03Å; H399-L422 PolarHBondContact CE1-O 3.11Å; H399-L422 PolarHBondContact NE2-O 3.41Å; H399-W428 PolarHBondContact NE2-O 2.85Å
400	L	95.4	Very high	93.1	Very high	69 Å²	69	49.5 Å²	49.5	36%	0.361	25%	0.246	S	C	.	.	H	α-helix	trans	-63	-30.2	-179.9	-64.2	174.8	0	0	0	113.4	E395 T396 P397 I403 K404	E395-L400 VanDerWaalsContact OE2-CD2 3.31Å; E395-L400 WeakPolarHBondContact OE2-CD2 3.46Å; T396-L400 PolarHBondContact O-N 3.22Å; P397-L400 PolarHBondContact O-N 3.47Å; L400-I403 HydrophobicContact CD2-CD1 4.37Å; L400-K404 WeakPolarHBondContact O-CD 3.23Å; L400-K404 VanDerWaalsContact O-CG 3.29Å; L400-K404 WeakPolarHBondContact O-CG 3.27Å
401	A	95.9	Very high	93.3	Very high	4 Å²	4	48.2 Å²	48.2	3%	0.033	24%	0.244	C	C	.	.	H	α-helix	trans	-74.6	-44.3	172.5	0	0	0	0	0	111.6	P397 L398 H399 K404 G405 D406 V410 L413	P397-A401 PolarHBondContact O-N 3.42Å; L398-A401 PolarHBondContact O-N 3.05Å; H399-A401 VanDerWaalsContact C-N 3.27Å; H399-A401 PolarHBondContact O-N 2.97Å; A401-K404 PolarHBondContact O-N 3.46Å; A401-G405 PolarHBondContact O-N 3.3Å; A401-G405 VanDerWaalsContact O-N 3.13Å; A401-D406 PolarHBondContact O-N 3.44Å; A401-V410 HydrophobicContact CB-CG2 3.69Å; A401-L413 HydrophobicContact CB-CD1 4.04Å
402	A	96.8	Very high	93.5	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-61.8	-43.6	175.8	0	0	0	0	0	112.8	L398 H399 K404 G405 P430 E433 A434 H439 L446	L398-A402 WeakPolarHBondContact O-CB 3.08Å; L398-A402 PolarHBondContact O-N 3.33Å; H399-A402 PolarHBondContact O-N 3.42Å; H399-A402 VanDerWaalsContact O-N 3.15Å; A402-K404 PolarHBondContact O-N 2.99Å; A402-G405 PolarHBondContact O-N 2.88Å; A402-P430 HydrophobicContact CB-CB 3.91Å; A402-P430 VanDerWaalsContact CB-O 3.26Å; A402-P430 WeakPolarHBondContact CB-O 3.22Å; A402-E433 HydrophobicContact CB-CB 4.25Å; A402-A434 HydrophobicContact CB-CB 4.34Å; A402-H439 PolarHBondContact O-CD2 3.45Å; A402-L446 HydrophobicContact CB-CD1 4.27Å
403	I	96.3	Very high	93.9	Very high	50 Å²	50	44.3 Å²	44.3	26%	0.256	23%	0.225	S	C	.	.	H	α-helix	trans	-55.2	-39.3	174.4	-72	161.7	0	0	0	111.7	H399 L400 E433 L437 H439	H399-I403 HydrophobicContact CB-CD1 4.49Å; H399-I403 WeakPolarHBondContact O-CB 3.37Å; H399-I403 WeakPolarHBondContact O-CD1 3.43Å; H399-I403 WeakPolarHBondContact O-CG1 2.9Å; H399-I403 PolarHBondContact O-N 3.03Å; L400-I403 HydrophobicContact CD2-CD1 4.37Å; I403-E433 HydrophobicContact CD1-CG 4.26Å; I403-E433 WeakPolarHBondContact CD1-OE1 3.49Å; I403-E433 HydrophobicContact CG1-CB 3.93Å; I403-E433 HydrophobicContact CG1-CG 3.72Å; I403-E433 WeakPolarHBondContact CG1-OE2 3.45Å; I403-L437 HydrophobicContact CB-CD1 4.27Å; I403-L437 HydrophobicContact CG1-CD1 4.42Å; I403-L437 HydrophobicContact CG2-CD1 4.09Å; I403-L437 WeakPolarHBondContact O-CD1 3.29Å; I403-H439 PolarHBondContact O-NE2 2.95Å
404	K	95.1	Very high	94.3	Very high	154 Å²	154	39.5 Å²	39.5	67%	0.67	21%	0.208	S	C	*	.	H	α-helix	trans	-79.5	-15.7	178.6	-71.5	173.8	179.5	-178.2	0	113.9	L400 A401 A402 D406	L400-K404 WeakPolarHBondContact O-CD 3.23Å; L400-K404 VanDerWaalsContact O-CG 3.29Å; L400-K404 WeakPolarHBondContact O-CG 3.27Å; A401-K404 PolarHBondContact O-N 3.46Å; A402-K404 PolarHBondContact O-N 2.99Å; K404-D406 HydrophobicContact CB-CB 4.09Å; K404-D406 PolarHBondContact O-N 3.18Å
405	G	94.5	Very high	94.4	Very high	18 Å²	18	44.2 Å²	44.2	19%	0.186	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.4	19.6	-166.3	0	0	0	0	0	113.8	A401 A402 V407 H439	A401-G405 PolarHBondContact O-N 3.3Å; A401-G405 VanDerWaalsContact O-N 3.13Å; A402-G405 PolarHBondContact O-N 2.88Å; G405-V407 WeakPolarHBondContact O-CG2 3.47Å; G405-V407 PolarHBondContact O-N 3.25Å; G405-H439 WeakPolarHBondContact CA-ND1 3.19Å; G405-H439 PolarHBondContact N-CD2 3.23Å; G405-H439 PolarHBondContact N-NE2 3.47Å
406	D	96.3	Very high	94.3	Very high	57 Å²	57	48.5 Å²	48.5	31%	0.305	25%	0.253	S	S	.	.			trans	-75.7	86.9	-177	-176.6	-14.4	0	0	0	110	A401 K404 D408 S409 V410	A401-D406 PolarHBondContact O-N 3.44Å; K404-D406 HydrophobicContact CB-CB 4.09Å; K404-D406 PolarHBondContact O-N 3.18Å; D406-D408 PolarHBondContact O-N 2.81Å; D406-D408 PolarHBondContact OD1-N 3.06Å; D406-S409 PolarHBondContact O-N 3.44Å; D406-S409 WeakPolarHBondContact OD1-CB 3.39Å; D406-S409 PolarHBondContact OD1-N 3.17Å; D406-S409 PolarHBondContact OD1-OG 3.38Å; D406-S409 VanDerWaalsContact OD2-CB 3.27Å; D406-S409 WeakPolarHBondContact OD2-CB 3.35Å; D406-S409 PolarHBondContact OD2-OG 2.85Å; D406-V410 WeakPolarHBondContact O-CB 3.37Å; D406-V410 VanDerWaalsContact O-CG2 3.27Å; D406-V410 WeakPolarHBondContact O-CG2 3.43Å; D406-V410 PolarHBondContact O-N 2.65Å
407	V	96.3	Very high	93.8	Very high	42 Å²	42	50.5 Å²	50.5	26%	0.255	27%	0.274	S	S	.	.	H	α-helix	trans	-59.8	-32.8	-173	-170.1	0	0	0	0	112.2	G405 K411 V445	G405-V407 WeakPolarHBondContact O-CG2 3.47Å; G405-V407 PolarHBondContact O-N 3.25Å; V407-K411 WeakPolarHBondContact O-CG 3.42Å; V407-K411 PolarHBondContact O-N 2.8Å; V407-K411 VanDerWaalsContact O-N 3.07Å; V407-V445 HydrophobicContact CG1-CG2 3.69Å
408	D	94.9	Very high	93.6	Very high	103 Å²	103	49 Å²	49	55%	0.551	27%	0.266	S	S	*	.	H	α-helix	trans	-83.4	-39.9	-176.3	-63.9	-41.5	0	0	0	111.5	D406 V410 K411 E412	D406-D408 PolarHBondContact O-N 2.81Å; D406-D408 PolarHBondContact OD1-N 3.06Å; D408-V410 VanDerWaalsContact C-N 3.27Å; D408-V410 PolarHBondContact O-N 3.49Å; D408-K411 PolarHBondContact O-N 3.23Å; D408-K411 IonicContact OD1-NZ 2.73Å; D408-K411 PolarHBondContact OD1-NZ 2.88Å; D408-E412 WeakPolarHBondContact O-CB 3.4Å; D408-E412 PolarHBondContact O-N 3.03Å
409	S	94.4	Very high	93.1	Very high	47 Å²	47	51.9 Å²	51.9	33%	0.329	28%	0.281	S	S	.	.	H	α-helix	trans	-60.9	-35.8	166	-68.6	0	0	0	0	112.2	D406 L413	D406-S409 PolarHBondContact O-N 3.44Å; D406-S409 WeakPolarHBondContact OD1-CB 3.39Å; D406-S409 PolarHBondContact OD1-N 3.17Å; D406-S409 PolarHBondContact OD1-OG 3.38Å; D406-S409 VanDerWaalsContact OD2-CB 3.27Å; D406-S409 WeakPolarHBondContact OD2-CB 3.35Å; D406-S409 PolarHBondContact OD2-OG 2.85Å; S409-L413 WeakPolarHBondContact O-CB 3.26Å; S409-L413 WeakPolarHBondContact O-CD1 3.49Å; S409-L413 WeakPolarHBondContact O-CG 3.26Å; S409-L413 PolarHBondContact O-N 3.12Å
410	V	95.5	Very high	92.9	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-62.7	-47	175	165.6	0	0	0	0	111.1	L398 A401 D406 D408 L414 A442 V445 L446	L398-V410 HydrophobicContact CD1-CB 4.34Å; L398-V410 HydrophobicContact CD1-CG1 4.15Å; L398-V410 HydrophobicContact CD1-CG2 4.23Å; A401-V410 HydrophobicContact CB-CG2 3.69Å; D406-V410 WeakPolarHBondContact O-CB 3.37Å; D406-V410 VanDerWaalsContact O-CG2 3.27Å; D406-V410 WeakPolarHBondContact O-CG2 3.43Å; D406-V410 PolarHBondContact O-N 2.65Å; D408-V410 VanDerWaalsContact C-N 3.27Å; D408-V410 PolarHBondContact O-N 3.49Å; V410-L414 HydrophobicContact CG1-CD1 3.75Å; V410-L414 WeakPolarHBondContact O-CD1 3.23Å; V410-L414 WeakPolarHBondContact O-CG 3.49Å; V410-L414 PolarHBondContact O-N 3.39Å; V410-A442 HydrophobicContact CG2-CB 4.28Å; V410-V445 HydrophobicContact CG1-CB 4.05Å; V410-V445 HydrophobicContact CG1-CG1 3.82Å; V410-L446 HydrophobicContact CG1-CD2 4.17Å; V410-L446 HydrophobicContact CG1-CG 3.99Å
411	K	93.4	Very high	92.6	Very high	84 Å²	84	50.9 Å²	50.9	37%	0.365	28%	0.277	S	S	.	.	H	α-helix	trans	-57.7	-57.4	174.9	-68.8	164.4	-168.5	159.1	0	111.2	V407 D408 L413 L414 D415 V445	V407-K411 WeakPolarHBondContact O-CG 3.42Å; V407-K411 PolarHBondContact O-N 2.8Å; V407-K411 VanDerWaalsContact O-N 3.07Å; D408-K411 PolarHBondContact O-N 3.23Å; D408-K411 IonicContact OD1-NZ 2.73Å; D408-K411 PolarHBondContact OD1-NZ 2.88Å; K411-L413 VanDerWaalsContact C-N 3.31Å; K411-L413 PolarHBondContact O-N 2.93Å; K411-L414 CarbonylContact O-C 3.59Å; K411-L414 WeakPolarHBondContact O-CA 3.47Å; K411-L414 WeakPolarHBondContact O-CB 3.46Å; K411-L414 PolarHBondContact O-N 3.05Å; K411-D415 PolarHBondContact O-N 3.35Å; K411-D415 VanDerWaalsContact O-OD2 3.07Å; K411-V445 HydrophobicContact CG-CG1 3.75Å; K411-V445 HydrophobicContact CG-CG2 4.11Å
412	E	93.4	Very high	92.2	Very high	104 Å²	104	52.5 Å²	52.5	49%	0.486	28%	0.284	S	S	.	.	H	α-helix	trans	-56.7	-43.7	-174.1	179.7	60.6	-152.4	0	0	111.7	D408 L414 D415 Q416	D408-E412 WeakPolarHBondContact O-CB 3.4Å; D408-E412 PolarHBondContact O-N 3.03Å; E412-L414 VanDerWaalsContact C-N 3.34Å; E412-L414 PolarHBondContact O-N 3.36Å; E412-D415 PolarHBondContact O-N 2.9Å; E412-Q416 WeakPolarHBondContact O-CB 3.18Å; E412-Q416 VanDerWaalsContact O-CG 3.3Å; E412-Q416 WeakPolarHBondContact O-CG 3.31Å; E412-Q416 PolarHBondContact O-N 2.93Å; E412-Q416 PolarHBondContact OE1-NE2 2.84Å
413	L	93.3	Very high	91.9	Very high	25 Å²	25	54.9 Å²	54.9	13%	0.131	30%	0.295	C	S	.	.	H	α-helix	trans	-65.6	-36.2	177.7	-70.4	168.7	0	0	0	112.5	V387 P397 L398 A401 S409 K411 Q416 G417 A418	V387-L413 HydrophobicContact CG1-CD2 4.19Å; P397-L413 HydrophobicContact CB-CD1 3.84Å; P397-L413 HydrophobicContact CB-CD2 3.94Å; P397-L413 WeakPolarHBondContact O-CD1 3.46Å; L398-L413 HydrophobicContact CB-CD1 4.4Å; L398-L413 HydrophobicContact CD1-CB 4.16Å; A401-L413 HydrophobicContact CB-CD1 4.04Å; S409-L413 WeakPolarHBondContact O-CB 3.26Å; S409-L413 WeakPolarHBondContact O-CD1 3.49Å; S409-L413 WeakPolarHBondContact O-CG 3.26Å; S409-L413 PolarHBondContact O-N 3.12Å; K411-L413 VanDerWaalsContact C-N 3.31Å; K411-L413 PolarHBondContact O-N 2.93Å; L413-Q416 CarbonylContact O-C 3.51Å; L413-Q416 PolarHBondContact O-N 2.99Å; L413-G417 PolarHBondContact O-N 2.95Å; L413-A418 HydrophobicContact CB-CB 4.22Å; L413-A418 WeakPolarHBondContact O-CB 3.29Å; L413-A418 PolarHBondContact O-N 2.8Å
414	L	90.6	Very high	91.5	Very high	16 Å²	16	53.5 Å²	53.5	8%	0.084	29%	0.288	C	S	.	.	H	α-helix	trans	-71.6	-35.6	175.5	-67.5	161.6	0	0	0	111.8	L398 V410 K411 E412 G417 P420 V445 L446 R449	L398-L414 HydrophobicContact CD1-CD1 4.35Å; L398-L414 HydrophobicContact CD1-CD2 4.37Å; L398-L414 HydrophobicContact CD1-CG 4.03Å; L398-L414 HydrophobicContact CD2-CD2 3.65Å; L398-L414 HydrophobicContact CD2-CG 4.21Å; V410-L414 HydrophobicContact CG1-CD1 3.75Å; V410-L414 WeakPolarHBondContact O-CD1 3.23Å; V410-L414 WeakPolarHBondContact O-CG 3.49Å; V410-L414 PolarHBondContact O-N 3.39Å; K411-L414 CarbonylContact O-C 3.59Å; K411-L414 WeakPolarHBondContact O-CA 3.47Å; K411-L414 WeakPolarHBondContact O-CB 3.46Å; K411-L414 PolarHBondContact O-N 3.05Å; E412-L414 VanDerWaalsContact C-N 3.34Å; E412-L414 PolarHBondContact O-N 3.36Å; L414-G417 PolarHBondContact O-N 3.36Å; L414-G417 VanDerWaalsContact O-N 3.08Å; L414-P420 HydrophobicContact CD2-CB 3.88Å; L414-P420 HydrophobicContact CD2-CG 4.17Å; L414-V445 HydrophobicContact CD1-CG1 3.93Å; L414-L446 HydrophobicContact CD1-CD2 4.19Å; L414-R449 HydrophobicContact CB-CB 4.44Å; L414-R449 HydrophobicContact CB-CG 4.17Å; L414-R449 HydrophobicContact CD1-CB 3.92Å; L414-R449 HydrophobicContact CD1-CG 3.83Å; L414-R449 HydrophobicContact CD2-CB 4.24Å; L414-R449 HydrophobicContact CG-CB 4.43Å; L414-R449 HydrophobicContact CG-CG 4.48Å
415	D	89.4	Confident	91	Very high	100 Å²	100	51.7 Å²	51.7	54%	0.535	29%	0.286	S	S	.	.	H	α-helix	trans	-68.9	-31.9	172.3	-72.4	-51.5	0	0	0	112.4	K411 E412 G417 R449	K411-D415 PolarHBondContact O-N 3.35Å; K411-D415 VanDerWaalsContact O-OD2 3.07Å; E412-D415 PolarHBondContact O-N 2.9Å; D415-G417 PolarHBondContact O-N 2.8Å; D415-R449 IonicContact OD1-CZ 3.87Å; D415-R449 IonicContact OD1-NH1 3.26Å; D415-R449 PolarHBondContact OD1-NH1 3.29Å; D415-R449 IonicContact OD1-NH2 3.94Å; D415-R449 PolarHBondContact OD1-NH2 3.42Å; D415-R449 IonicContact OD2-CZ 2.73Å; D415-R449 IonicContact OD2-NH1 3.68Å; D415-R449 PolarHBondContact OD2-NH1 3.17Å; D415-R449 IonicContact OD2-NH2 3.7Å; D415-R449 PolarHBondContact OD2-NH2 3.25Å
416	Q	89.1	Confident	90.5	Very high	99 Å²	99	53.2 Å²	53.2	46%	0.463	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	7.9	167.4	-64	178.8	16.8	0	0	113.9	V387 E412 L413	V387-Q416 HydrophobicContact CG2-CB 3.77Å; E412-Q416 WeakPolarHBondContact O-CB 3.18Å; E412-Q416 VanDerWaalsContact O-CG 3.3Å; E412-Q416 WeakPolarHBondContact O-CG 3.31Å; E412-Q416 PolarHBondContact O-N 2.93Å; E412-Q416 PolarHBondContact OE1-NE2 2.84Å; L413-Q416 CarbonylContact O-C 3.51Å; L413-Q416 PolarHBondContact O-N 2.99Å
417	G	83.3	Confident	90	Very high	47 Å²	47	51.3 Å²	51.3	49%	0.485	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.8	28.6	174	0	0	0	0	0	115.5	M388 L413 L414 D415	M388-G417 VanDerWaalsContact CE-O 3.3Å; M388-G417 WeakPolarHBondContact CE-O 3.41Å; L413-G417 PolarHBondContact O-N 2.95Å; L414-G417 PolarHBondContact O-N 3.36Å; L414-G417 VanDerWaalsContact O-N 3.08Å; D415-G417 PolarHBondContact O-N 2.8Å
418	A	88.8	Confident	89.9	Confident	10 Å²	10	51.3 Å²	51.3	8%	0.083	29%	0.286	C	S	.	.			trans	-62.1	139.5	165.5	0	0	0	0	0	111.1	V387 L398 L413 P420	V387-A418 HydrophobicContact CG1-CB 3.55Å; L398-A418 HydrophobicContact CB-CB 4.22Å; L398-A418 HydrophobicContact CD2-CB 3.84Å; L413-A418 HydrophobicContact CB-CB 4.22Å; L413-A418 WeakPolarHBondContact O-CB 3.29Å; L413-A418 PolarHBondContact O-N 2.8Å; A418-P420 WeakPolarHBondContact O-CD 3.36Å
419	D	86	Confident	89.8	Confident	60 Å²	60	46.4 Å²	46.4	32%	0.321	26%	0.26	S	S	.	.			trans	-81.1	117.2	171.2	174.8	7.9	0	0	0	110.2	M388 N421 L422	M388-D419 HydrophobicContact CE-CB 4.27Å; D419-N421 PolarHBondContact O-N 2.72Å; D419-N421 WeakPolarHBondContact OD1-CA 3.3Å; D419-N421 WeakPolarHBondContact OD1-CB 3.38Å; D419-N421 PolarHBondContact OD1-N 3.28Å; D419-L422 HydrophobicContact CB-CB 4.1Å; D419-L422 WeakPolarHBondContact OD2-CD1 3.45Å
420	P	91.6	Very high	89.9	Confident	11 Å²	11	44.2 Å²	44.2	7%	0.071	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-11.5	178	29.3	-33.8	0	0	0	114.4	L398 L414 A418 P430 L446 A451	L398-P420 HydrophobicContact CD2-CB 4.38Å; L414-P420 HydrophobicContact CD2-CB 3.88Å; L414-P420 HydrophobicContact CD2-CG 4.17Å; A418-P420 WeakPolarHBondContact O-CD 3.36Å; P420-P430 WeakPolarHBondContact O-CD 3.38Å; P420-L446 HydrophobicContact CB-CD2 4.15Å; P420-A451 HydrophobicContact CB-CB 3.97Å
421	N	90.1	Very high	90	Very high	38 Å²	38	44.2 Å²	44.2	20%	0.203	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	-2.7	-175.4	-60.8	-52.9	0	0	0	113.1	D419 K423 T429 G450 A451 L452	D419-N421 PolarHBondContact O-N 2.72Å; D419-N421 WeakPolarHBondContact OD1-CA 3.3Å; D419-N421 WeakPolarHBondContact OD1-CB 3.38Å; D419-N421 PolarHBondContact OD1-N 3.28Å; N421-K423 PolarHBondContact O-N 3.14Å; N421-T429 WeakPolarHBondContact O-CG2 3.5Å; N421-G450 PolarHBondContact ND2-O 2.93Å; N421-A451 WeakPolarHBondContact OD1-CA 3.44Å; N421-L452 HydrophobicContact CB-CD1 4.24Å; N421-L452 WeakPolarHBondContact OD1-CB 3.12Å; N421-L452 VanDerWaalsContact OD1-CG 3.31Å; N421-L452 WeakPolarHBondContact OD1-CG 3.39Å; N421-L452 PolarHBondContact OD1-N 2.67Å
422	L	88.1	Confident	90.2	Very high	37 Å²	37	40.2 Å²	40.2	19%	0.194	23%	0.227	C	C	.	.			trans	-64.7	119.3	-179	-156.7	77.2	0	0	0	110.5	R390 T396 H399 D419	R390-L422 VanDerWaalsContact NH2-CG 3.27Å; T396-L422 HydrophobicContact CG2-CD2 3.59Å; H399-L422 PolarHBondContact CE1-O 3.11Å; H399-L422 PolarHBondContact NE2-O 3.41Å; D419-L422 HydrophobicContact CB-CB 4.1Å; D419-L422 WeakPolarHBondContact OD2-CD1 3.45Å
423	K	89	Confident	90.3	Very high	50 Å²	50	36.3 Å²	36.3	22%	0.217	21%	0.208	C	C	.	.			trans	-79.1	142.5	178.6	-56.1	-175.6	-166.7	-168.6	0	112.1	R390 N421 G427 W428 T429 P456 D641	R390-K423 PolarHBondContact NH1-O 2.79Å; R390-K423 PolarHBondContact NH2-O 3.37Å; N421-K423 PolarHBondContact O-N 3.14Å; K423-G427 WeakPolarHBondContact CD-O 3.4Å; K423-G427 WeakPolarHBondContact CG-O 3.19Å; K423-W428 CarbonylContact C-O 3.45Å; K423-W428 VanDerWaalsContact CA-O 3.29Å; K423-W428 WeakPolarHBondContact CA-O 3.44Å; K423-T429 HydrophobicContact CG-CG2 3.9Å; K423-P456 PolarHBondContact NZ-O 3.18Å; K423-D641 WeakPolarHBondContact CE-OD1 3.43Å; K423-D641 IonicContact NZ-OD1 3.99Å; K423-D641 PolarHBondContact NZ-OD1 3.02Å; K423-D641 VanDerWaalsContact NZ-OD1 3.16Å; K423-D641 IonicContact NZ-OD2 3.5Å; K423-D641 PolarHBondContact NZ-OD2 2.72Å
424	D	88.8	Confident	90.5	Very high	21 Å²	21	35.1 Å²	35.1	11%	0.112	20%	0.202	C	C	.	.			trans	-74.8	-162.9	170.7	93.1	-47.2	0	0	0	112.1	E395 A426 G427 W428	E395-D424 HydrophobicContact CG-CB 4.45Å; D424-A426 WeakPolarHBondContact OD1-CA 3.43Å; D424-A426 WeakPolarHBondContact OD1-CB 3.2Å; D424-A426 PolarHBondContact OD1-N 3.34Å; D424-A426 PolarHBondContact OD2-N 3.4Å; D424-G427 PolarHBondContact OD1-N 2.89Å; D424-W428 PolarHBondContact N-O 2.89Å; D424-W428 PolarHBondContact OD1-N 3.35Å
425	N	84.8	Confident	90.8	Very high	117 Å²	117	34.3 Å²	34.3	63%	0.626	20%	0.198	S	C	*	.	S	Bend	trans	-81.7	-16.8	175.2	-63.9	-9.5	0	0	0	114	H392 R393 G394	H392-N425 PolarHBondContact O-ND2 3.3Å; R393-N425 VanDerWaalsContact C-ND2 3.27Å; R393-N425 WeakPolarHBondContact O-CB 3.43Å; R393-N425 PolarHBondContact O-N 2.9Å; G394-N425 VanDerWaalsContact CA-OD1 3.29Å; G394-N425 WeakPolarHBondContact CA-OD1 3.4Å; G394-N425 PolarHBondContact N-ND2 3.41Å
426	A	84	Confident	91.1	Very high	50 Å²	50	31 Å²	31	41%	0.413	18%	0.18	S	C	.	.	S	Bend	trans	-85.8	-15.5	170.4	0	0	0	0	0	112.8	D424 Y458	D424-A426 WeakPolarHBondContact OD1-CA 3.43Å; D424-A426 WeakPolarHBondContact OD1-CB 3.2Å; D424-A426 PolarHBondContact OD1-N 3.34Å; D424-A426 PolarHBondContact OD2-N 3.4Å; A426-Y458 HydrophobicContact CB-CD2 4.48Å; A426-Y458 WeakPolarHBondContact O-CD2 3.48Å
427	G	86.1	Confident	91.4	Very high	17 Å²	17	29.8 Å²	29.8	18%	0.175	18%	0.177	C	C	.	.	S	Bend	trans	103.3	-5.9	-177.7	0	0	0	0	0	113.7	K423 D424 G457	K423-G427 WeakPolarHBondContact CD-O 3.4Å; K423-G427 WeakPolarHBondContact CG-O 3.19Å; D424-G427 PolarHBondContact OD1-N 2.89Å; G427-G457 WeakPolarHBondContact O-CA 3.46Å
428	W	92.5	Very high	92	Very high	42 Å²	42	28.8 Å²	28.8	16%	0.159	17%	0.166	C	C	.	.			trans	-71	145.4	-178.6	-80.3	22.5	0	0	0	111.5	H399 K423 D424 H432 E433 N436 Y458	H399-W428 PolarHBondContact NE2-O 2.85Å; K423-W428 CarbonylContact C-O 3.45Å; K423-W428 VanDerWaalsContact CA-O 3.29Å; K423-W428 WeakPolarHBondContact CA-O 3.44Å; D424-W428 PolarHBondContact N-O 2.89Å; D424-W428 PolarHBondContact OD1-N 3.35Å; W428-H432 HydrophobicContact CB-CB 4.06Å; W428-H432 HydrophobicContact CD2-CB 4.02Å; W428-H432 HydrophobicContact CE3-CB 4.32Å; W428-H432 HydrophobicContact CG-CB 3.92Å; W428-E433 VanDerWaalsContact CE3-CD 3.47Å; W428-E433 HydrophobicContact CE3-CG 3.98Å; W428-E433 WeakPolarHBondContact CZ3-OE2 3.31Å; W428-N436 HydrophobicContact CH2-CB 3.86Å; W428-N436 VanDerWaalsContact CH2-CG 3.41Å; W428-N436 WeakPolarHBondContact CH2-ND2 3.26Å; W428-N436 HydrophobicContact CZ3-CB 3.96Å; W428-Y458 VanDerWaalsContact CD1-CB 3.49Å; W428-Y458 VanDerWaalsContact CD1-N 3.34Å
429	T	94.6	Very high	92.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.173	C	C	.	.			trans	-102	166	167	72.2	0	0	0	0	109.7	N421 K423 L431 H432 E433 T455	N421-T429 WeakPolarHBondContact O-CG2 3.5Å; K423-T429 HydrophobicContact CG-CG2 3.9Å; T429-L431 PolarHBondContact O-N 3.44Å; T429-L431 PolarHBondContact OG1-N 2.92Å; T429-H432 PolarHBondContact N-ND1 3.2Å; T429-H432 WeakPolarHBondContact O-CB 3.45Å; T429-H432 PolarHBondContact O-N 2.81Å; T429-H432 PolarHBondContact OG1-ND1 3.42Å; T429-E433 PolarHBondContact O-N 3.05Å; T429-T455 HydrophobicContact CG2-CG2 4.08Å
430	P	96.2	Very high	92.9	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-53	-26.7	171.5	-27.6	35.7	0	0	0	114.4	L398 A402 P420 A434 L446	L398-P430 HydrophobicContact CB-CG 4.25Å; L398-P430 HydrophobicContact CD2-CB 4.32Å; L398-P430 HydrophobicContact CD2-CG 3.92Å; L398-P430 HydrophobicContact CG-CB 3.98Å; L398-P430 HydrophobicContact CG-CG 3.8Å; A402-P430 HydrophobicContact CB-CB 3.91Å; A402-P430 VanDerWaalsContact CB-O 3.26Å; A402-P430 WeakPolarHBondContact CB-O 3.22Å; P420-P430 WeakPolarHBondContact O-CD 3.38Å; P430-A434 WeakPolarHBondContact O-CB 3.47Å; P430-A434 PolarHBondContact O-N 3.15Å; P430-A434 VanDerWaalsContact O-N 3.09Å; P430-L446 HydrophobicContact CB-CD1 4.2Å; P430-L446 HydrophobicContact CB-CD2 3.91Å; P430-L446 WeakPolarHBondContact O-CD1 3.36Å
431	L	97.1	Very high	93	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-72.6	-36.5	174.6	-173.8	62.4	0	0	0	112.5	T429 A434 C435 V443 L446 V447 A451 L452 P463	T429-L431 PolarHBondContact O-N 3.44Å; T429-L431 PolarHBondContact OG1-N 2.92Å; L431-A434 PolarHBondContact O-N 3.32Å; L431-C435 VanDerWaalsContact O-CB 3.24Å; L431-C435 WeakPolarHBondContact O-CB 3.49Å; L431-C435 PolarHBondContact O-N 3.48Å; L431-C435 PolarHBondContact O-SG 3.42Å; L431-V443 HydrophobicContact CD1-CB 4.37Å; L431-V443 HydrophobicContact CD1-CG1 4Å; L431-V443 HydrophobicContact CD1-CG2 4.27Å; L431-L446 HydrophobicContact CD1-CB 4.24Å; L431-L446 HydrophobicContact CD1-CD1 4.49Å; L431-V447 HydrophobicContact CD1-CG2 3.84Å; L431-V447 HydrophobicContact CD2-CG2 4.04Å; L431-A451 HydrophobicContact CB-CB 4.14Å; L431-A451 HydrophobicContact CD2-CB 3.91Å; L431-A451 HydrophobicContact CG-CB 4.43Å; L431-L452 WeakPolarHBondContact CD2-O 3.47Å; L431-P463 HydrophobicContact CD2-CB 4.12Å; L431-P463 HydrophobicContact CD2-CG 3.92Å; L431-P463 HydrophobicContact CG-CB 3.99Å; L431-P463 HydrophobicContact CG-CG 4.04Å
432	H	96.6	Very high	93.3	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-61.7	-48.6	173.2	-67	76.7	0	0	0	110.3	W428 T429 A434 C435 N436 T455 G457 D461 P463 D466	W428-H432 HydrophobicContact CB-CB 4.06Å; W428-H432 HydrophobicContact CD2-CB 4.02Å; W428-H432 HydrophobicContact CE3-CB 4.32Å; W428-H432 HydrophobicContact CG-CB 3.92Å; T429-H432 PolarHBondContact N-ND1 3.2Å; T429-H432 WeakPolarHBondContact O-CB 3.45Å; T429-H432 PolarHBondContact O-N 2.81Å; T429-H432 PolarHBondContact OG1-ND1 3.42Å; H432-A434 PolarHBondContact O-N 3.13Å; H432-C435 PolarHBondContact O-N 2.85Å; H432-N436 WeakPolarHBondContact O-CB 3.42Å; H432-N436 PolarHBondContact O-N 2.91Å; H432-T455 PolarHBondContact CE1-O 2.84Å; H432-T455 VanDerWaalsContact CE1-O 3.25Å; H432-T455 PolarHBondContact NE2-O 3.02Å; H432-G457 WeakPolarHBondContact NE2-CA 3.2Å; H432-G457 PolarHBondContact NE2-N 3.39Å; H432-D461 PolarHBondContact NE2-O 3.18Å; H432-P463 WeakPolarHBondContact NE2-CD 3.34Å; H432-D466 IonicContact CD2-OD2 3.86Å; H432-D466 PolarHBondContact CD2-OD2 3.37Å; H432-D466 IonicContact CG-OD2 3.05Å
433	E	96.6	Very high	93.7	Very high	22 Å²	22	27.8 Å²	27.8	10%	0.103	17%	0.165	C	C	.	.	H	α-helix	trans	-55.5	-49.6	176.2	-69.6	-73.6	-165.8	0	0	112.4	A402 I403 W428 T429 C435 N436 L437	A402-E433 HydrophobicContact CB-CB 4.25Å; I403-E433 HydrophobicContact CD1-CG 4.26Å; I403-E433 WeakPolarHBondContact CD1-OE1 3.49Å; I403-E433 HydrophobicContact CG1-CB 3.93Å; I403-E433 HydrophobicContact CG1-CG 3.72Å; I403-E433 WeakPolarHBondContact CG1-OE2 3.45Å; W428-E433 VanDerWaalsContact CE3-CD 3.47Å; W428-E433 HydrophobicContact CE3-CG 3.98Å; W428-E433 WeakPolarHBondContact CZ3-OE2 3.31Å; T429-E433 PolarHBondContact O-N 3.05Å; E433-C435 PolarHBondContact O-N 3.19Å; E433-N436 PolarHBondContact O-N 3.46Å; E433-L437 WeakPolarHBondContact O-CB 3.26Å; E433-L437 WeakPolarHBondContact O-CG 3.12Å; E433-L437 PolarHBondContact O-N 3.45Å
434	A	97.2	Very high	93.9	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-66	-35.9	179.8	0	0	0	0	0	112.9	A402 P430 L431 H432 G438 H439 A442 V443 L446	A402-A434 HydrophobicContact CB-CB 4.34Å; P430-A434 WeakPolarHBondContact O-CB 3.47Å; P430-A434 PolarHBondContact O-N 3.15Å; P430-A434 VanDerWaalsContact O-N 3.09Å; L431-A434 PolarHBondContact O-N 3.32Å; H432-A434 PolarHBondContact O-N 3.13Å; A434-G438 PolarHBondContact O-N 3.5Å; A434-H439 HydrophobicContact CB-CB 4.32Å; A434-H439 PolarHBondContact O-N 2.87Å; A434-A442 HydrophobicContact CB-CB 4.07Å; A434-V443 HydrophobicContact CB-CG2 3.66Å; A434-L446 HydrophobicContact CB-CD1 3.93Å
435	C	97.2	Very high	94.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-72.9	-41.7	176.5	-75.5	0	0	0	0	112.9	L431 H432 E433 P463 A467 H472 I475	L431-C435 VanDerWaalsContact O-CB 3.24Å; L431-C435 WeakPolarHBondContact O-CB 3.49Å; L431-C435 PolarHBondContact O-N 3.48Å; L431-C435 PolarHBondContact O-SG 3.42Å; H432-C435 PolarHBondContact O-N 2.85Å; E433-C435 PolarHBondContact O-N 3.19Å; C435-P463 HydrophobicContact CB-CB 4.27Å; C435-P463 WeakPolarHBondContact CB-O 3.48Å; C435-A467 HydrophobicContact CB-CB 4.2Å; C435-H472 PolarHBondContact O-CD2 2.82Å; C435-I475 HydrophobicContact CB-CG2 4.35Å
436	N	95.6	Very high	94.6	Very high	30 Å²	30	25.6 Å²	25.6	16%	0.16	15%	0.15	C	C	.	.	H	α-helix	trans	-63	-41.1	177	177	68.9	0	0	0	111.9	W428 H432 E433 D466 N470 H472	W428-N436 HydrophobicContact CH2-CB 3.86Å; W428-N436 VanDerWaalsContact CH2-CG 3.41Å; W428-N436 WeakPolarHBondContact CH2-ND2 3.26Å; W428-N436 HydrophobicContact CZ3-CB 3.96Å; H432-N436 WeakPolarHBondContact O-CB 3.42Å; H432-N436 PolarHBondContact O-N 2.91Å; E433-N436 PolarHBondContact O-N 3.46Å; N436-D466 HydrophobicContact CB-CB 4.08Å; N436-N470 WeakPolarHBondContact O-CB 3.33Å; N436-N470 PolarHBondContact OD1-ND2 2.95Å; N436-H472 PolarHBondContact O-NE2 3.24Å
437	L	95.7	Very high	94.8	Very high	74 Å²	74	23.9 Å²	23.9	39%	0.387	13%	0.134	S	C	.	.	H	α-helix	trans	-94.4	-2	-173.7	-63.6	167.5	0	0	0	114.8	I403 E433	I403-L437 HydrophobicContact CB-CD1 4.27Å; I403-L437 HydrophobicContact CG1-CD1 4.42Å; I403-L437 HydrophobicContact CG2-CD1 4.09Å; I403-L437 WeakPolarHBondContact O-CD1 3.29Å; E433-L437 WeakPolarHBondContact O-CB 3.26Å; E433-L437 WeakPolarHBondContact O-CG 3.12Å; E433-L437 PolarHBondContact O-N 3.45Å
438	G	95.5	Very high	94.9	Very high	25 Å²	25	26.4 Å²	26.4	26%	0.258	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	88	12.1	173.1	0	0	0	0	0	115.8	A434 L440 H472 I475	A434-G438 PolarHBondContact O-N 3.5Å; G438-L440 VanDerWaalsContact C-N 3.31Å; G438-L440 PolarHBondContact O-N 3.49Å; G438-H472 WeakPolarHBondContact CA-CE1 3.4Å; G438-H472 VanDerWaalsContact CA-ND1 3.34Å; G438-H472 WeakPolarHBondContact CA-ND1 3.43Å; G438-H472 PolarHBondContact N-NE2 2.94Å; G438-I475 VanDerWaalsContact C-CD1 3.45Å
439	H	97.6	Very high	94.6	Very high	51 Å²	51	29.2 Å²	29.2	24%	0.236	16%	0.164	C	C	.	.			trans	-80.9	67.2	-170.8	-63.6	-51.7	0	0	0	113.4	A402 I403 G405 A434 G441 A442 V443	A402-H439 PolarHBondContact O-CD2 3.45Å; I403-H439 PolarHBondContact O-NE2 2.95Å; G405-H439 WeakPolarHBondContact CA-ND1 3.19Å; G405-H439 PolarHBondContact N-CD2 3.23Å; G405-H439 PolarHBondContact N-NE2 3.47Å; A434-H439 HydrophobicContact CB-CB 4.32Å; A434-H439 PolarHBondContact O-N 2.87Å; H439-G441 PolarHBondContact O-N 2.95Å; H439-A442 HydrophobicContact CB-CB 4.05Å; H439-A442 PolarHBondContact O-N 2.87Å; H439-V443 PolarHBondContact O-N 2.6Å
440	L	95.8	Very high	94	Very high	53 Å²	53	30.6 Å²	30.6	28%	0.277	18%	0.178	S	C	.	.	H	α-helix	trans	-50.4	-34	-177	-179.1	65.2	0	0	0	114.1	G438 K444 A474 I475 L478	G438-L440 VanDerWaalsContact C-N 3.31Å; G438-L440 PolarHBondContact O-N 3.49Å; L440-K444 WeakPolarHBondContact O-CG 3.47Å; L440-K444 PolarHBondContact O-N 3.19Å; L440-K444 VanDerWaalsContact O-N 3.11Å; L440-A474 HydrophobicContact CD2-CB 4.03Å; L440-I475 HydrophobicContact CB-CD1 4.49Å; L440-I475 HydrophobicContact CB-CG1 4.06Å; L440-I475 HydrophobicContact CD1-CG1 3.78Å; L440-L478 HydrophobicContact CD1-CB 4.43Å; L440-L478 HydrophobicContact CD1-CD2 3.74Å
441	G	94.9	Very high	93.7	Very high	32 Å²	32	30.6 Å²	30.6	33%	0.33	18%	0.178	S	C	.	.	H	α-helix	trans	-65.3	-46.2	175.3	0	0	0	0	0	112.8	H439 K444 V445	H439-G441 PolarHBondContact O-N 2.95Å; G441-K444 PolarHBondContact O-N 2.83Å; G441-V445 PolarHBondContact O-N 2.94Å
442	A	96.4	Very high	93.3	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-67.1	-42.5	176.3	0	0	0	0	0	111.4	V410 A434 H439 K444 V445 L446	V410-A442 HydrophobicContact CG2-CB 4.28Å; A434-A442 HydrophobicContact CB-CB 4.07Å; H439-A442 HydrophobicContact CB-CB 4.05Å; H439-A442 PolarHBondContact O-N 2.87Å; A442-K444 VanDerWaalsContact C-N 3.33Å; A442-K444 PolarHBondContact O-N 2.79Å; A442-V445 PolarHBondContact O-N 2.76Å; A442-L446 WeakPolarHBondContact O-CB 3.49Å; A442-L446 VanDerWaalsContact O-CG 3.31Å; A442-L446 WeakPolarHBondContact O-CG 3.27Å; A442-L446 PolarHBondContact O-N 2.82Å
443	V	96.2	Very high	92.9	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-54	-48.1	174.5	172.1	0	0	0	0	111.4	L431 A434 H439 V445 L446 V447 I475 L478 L479	L431-V443 HydrophobicContact CD1-CB 4.37Å; L431-V443 HydrophobicContact CD1-CG1 4Å; L431-V443 HydrophobicContact CD1-CG2 4.27Å; A434-V443 HydrophobicContact CB-CG2 3.66Å; H439-V443 PolarHBondContact O-N 2.6Å; V443-V445 PolarHBondContact O-N 2.82Å; V443-L446 PolarHBondContact O-N 3.47Å; V443-V447 HydrophobicContact CG1-CG2 4.4Å; V443-V447 WeakPolarHBondContact O-CG2 3.4Å; V443-V447 PolarHBondContact O-N 3.21Å; V443-I475 HydrophobicContact CG1-CG2 4.34Å; V443-I475 HydrophobicContact CG2-CD1 3.95Å; V443-I475 HydrophobicContact CG2-CG1 4.33Å; V443-I475 HydrophobicContact CG2-CG2 4.3Å; V443-L478 HydrophobicContact CG1-CD2 3.96Å; V443-L479 HydrophobicContact CG1-CD2 4.49Å
444	K	93.1	Very high	92.4	Very high	119 Å²	119	30.9 Å²	30.9	52%	0.517	18%	0.18	S	C	.	.	H	α-helix	trans	-58.6	-44.6	178.8	-77.6	175.9	178.6	-176.2	0	112.5	L440 G441 A442 A448 L478	L440-K444 WeakPolarHBondContact O-CG 3.47Å; L440-K444 PolarHBondContact O-N 3.19Å; L440-K444 VanDerWaalsContact O-N 3.11Å; G441-K444 PolarHBondContact O-N 2.83Å; A442-K444 VanDerWaalsContact C-N 3.33Å; A442-K444 PolarHBondContact O-N 2.79Å; K444-A448 WeakPolarHBondContact O-CB 3.41Å; K444-A448 PolarHBondContact O-N 2.99Å; K444-A448 VanDerWaalsContact O-N 3.09Å; K444-L478 HydrophobicContact CG-CD2 3.59Å
445	V	93.8	Very high	91.8	Very high	22 Å²	22	31 Å²	31	13%	0.133	18%	0.181	C	C	.	.	H	α-helix	trans	-69.1	-46.2	179.2	178.4	0	0	0	0	111	V407 V410 K411 L414 G441 A442 V443 V447 A448 R449	V407-V445 HydrophobicContact CG1-CG2 3.69Å; V410-V445 HydrophobicContact CG1-CB 4.05Å; V410-V445 HydrophobicContact CG1-CG1 3.82Å; K411-V445 HydrophobicContact CG-CG1 3.75Å; K411-V445 HydrophobicContact CG-CG2 4.11Å; L414-V445 HydrophobicContact CD1-CG1 3.93Å; G441-V445 PolarHBondContact O-N 2.94Å; A442-V445 PolarHBondContact O-N 2.76Å; V443-V445 PolarHBondContact O-N 2.82Å; V445-V447 PolarHBondContact O-N 2.91Å; V445-A448 PolarHBondContact O-N 3.31Å; V445-R449 HydrophobicContact CG1-CG 4.39Å; V445-R449 WeakPolarHBondContact O-CG 3.44Å; V445-R449 PolarHBondContact O-N 2.82Å
446	L	93.3	Very high	91.1	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-56.7	-51.6	179.7	-76.1	164.8	0	0	0	111.3	L398 A402 V410 L414 P420 P430 L431 A434 A442 V443 R449 G450 A451	L398-L446 HydrophobicContact CD1-CD2 4.23Å; L398-L446 HydrophobicContact CD2-CD2 4.19Å; L398-L446 HydrophobicContact CG-CD2 4.34Å; A402-L446 HydrophobicContact CB-CD1 4.27Å; V410-L446 HydrophobicContact CG1-CD2 4.17Å; V410-L446 HydrophobicContact CG1-CG 3.99Å; L414-L446 HydrophobicContact CD1-CD2 4.19Å; P420-L446 HydrophobicContact CB-CD2 4.15Å; P430-L446 HydrophobicContact CB-CD1 4.2Å; P430-L446 HydrophobicContact CB-CD2 3.91Å; P430-L446 WeakPolarHBondContact O-CD1 3.36Å; L431-L446 HydrophobicContact CD1-CB 4.24Å; L431-L446 HydrophobicContact CD1-CD1 4.49Å; A434-L446 HydrophobicContact CB-CD1 3.93Å; A442-L446 WeakPolarHBondContact O-CB 3.49Å; A442-L446 VanDerWaalsContact O-CG 3.31Å; A442-L446 WeakPolarHBondContact O-CG 3.27Å; A442-L446 PolarHBondContact O-N 2.82Å; V443-L446 PolarHBondContact O-N 3.47Å; L446-R449 CarbonylContact O-C 3.55Å; L446-R449 PolarHBondContact O-N 3.03Å; L446-R449 VanDerWaalsContact O-N 3.12Å; L446-G450 PolarHBondContact O-N 2.97Å; L446-A451 HydrophobicContact CB-CB 3.84Å; L446-A451 WeakPolarHBondContact O-CB 3.49Å; L446-A451 PolarHBondContact O-N 2.75Å
447	V	90.1	Very high	90.7	Very high	14 Å²	14	30.7 Å²	30.7	9%	0.085	18%	0.182	C	C	.	.	H	α-helix	trans	-66	-40.4	179.4	179.3	0	0	0	0	111.5	L431 V443 V445 R449 G450 L453 L482 L635	L431-V447 HydrophobicContact CD1-CG2 3.84Å; L431-V447 HydrophobicContact CD2-CG2 4.04Å; V443-V447 HydrophobicContact CG1-CG2 4.4Å; V443-V447 WeakPolarHBondContact O-CG2 3.4Å; V443-V447 PolarHBondContact O-N 3.21Å; V445-V447 PolarHBondContact O-N 2.91Å; V447-R449 PolarHBondContact O-N 3.19Å; V447-R449 VanDerWaalsContact O-N 3.16Å; V447-G450 PolarHBondContact O-N 2.8Å; V447-L453 HydrophobicContact CB-CD2 4.47Å; V447-L453 HydrophobicContact CG1-CD2 3.86Å; V447-L453 HydrophobicContact CG2-CD2 3.68Å; V447-L482 HydrophobicContact CG1-CD1 3.78Å; V447-L635 HydrophobicContact CG1-CD1 4.04Å
448	A	87	Confident	90.2	Very high	70 Å²	70	33.1 Å²	33.1	58%	0.579	19%	0.187	S	C	*	.	H	α-helix	trans	-64.4	-16.7	174.9	0	0	0	0	0	113.9	K444 V445	K444-A448 WeakPolarHBondContact O-CB 3.41Å; K444-A448 PolarHBondContact O-N 2.99Å; K444-A448 VanDerWaalsContact O-N 3.09Å; V445-A448 PolarHBondContact O-N 3.31Å
449	R	86.7	Confident	89.6	Confident	102 Å²	102	35 Å²	35	39%	0.385	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	16.5	172.7	-61	-57.7	-167.8	86.5	-0.4	113.4	L414 D415 V445 L446 V447	L414-R449 HydrophobicContact CB-CB 4.44Å; L414-R449 HydrophobicContact CB-CG 4.17Å; L414-R449 HydrophobicContact CD1-CB 3.92Å; L414-R449 HydrophobicContact CD1-CG 3.83Å; L414-R449 HydrophobicContact CD2-CB 4.24Å; L414-R449 HydrophobicContact CG-CB 4.43Å; L414-R449 HydrophobicContact CG-CG 4.48Å; D415-R449 IonicContact OD1-CZ 3.87Å; D415-R449 IonicContact OD1-NH1 3.26Å; D415-R449 PolarHBondContact OD1-NH1 3.29Å; D415-R449 IonicContact OD1-NH2 3.94Å; D415-R449 PolarHBondContact OD1-NH2 3.42Å; D415-R449 IonicContact OD2-CZ 2.73Å; D415-R449 IonicContact OD2-NH1 3.68Å; D415-R449 PolarHBondContact OD2-NH1 3.17Å; D415-R449 IonicContact OD2-NH2 3.7Å; D415-R449 PolarHBondContact OD2-NH2 3.25Å; V445-R449 HydrophobicContact CG1-CG 4.39Å; V445-R449 WeakPolarHBondContact O-CG 3.44Å; V445-R449 PolarHBondContact O-N 2.82Å; L446-R449 CarbonylContact O-C 3.55Å; L446-R449 PolarHBondContact O-N 3.03Å; L446-R449 VanDerWaalsContact O-N 3.12Å; V447-R449 PolarHBondContact O-N 3.19Å; V447-R449 VanDerWaalsContact O-N 3.16Å
450	G	82	Confident	88.8	Confident	28 Å²	28	34.3 Å²	34.3	29%	0.289	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.9	23.6	172.6	0	0	0	0	0	115.5	N421 L446 V447 L452	N421-G450 PolarHBondContact ND2-O 2.93Å; L446-G450 PolarHBondContact O-N 2.97Å; V447-G450 PolarHBondContact O-N 2.8Å; G450-L452 PolarHBondContact O-N 2.72Å
451	A	89.2	Confident	88.4	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.175	C	C	.	.			trans	-64.9	128	165.5	0	0	0	0	0	110.8	P420 N421 L431 L446	P420-A451 HydrophobicContact CB-CB 3.97Å; N421-A451 WeakPolarHBondContact OD1-CA 3.44Å; L431-A451 HydrophobicContact CB-CB 4.14Å; L431-A451 HydrophobicContact CD2-CB 3.91Å; L431-A451 HydrophobicContact CG-CB 4.43Å; L446-A451 HydrophobicContact CB-CB 3.84Å; L446-A451 WeakPolarHBondContact O-CB 3.49Å; L446-A451 PolarHBondContact O-N 2.75Å
452	L	88.4	Confident	88.3	Confident	27 Å²	27	30.3 Å²	30.3	14%	0.141	16%	0.159	C	C	.	.			trans	-77.3	126.1	-174.4	-63.9	172.3	0	0	0	111.2	N421 L431 G450 N454 T455 L635 L636	N421-L452 HydrophobicContact CB-CD1 4.24Å; N421-L452 WeakPolarHBondContact OD1-CB 3.12Å; N421-L452 VanDerWaalsContact OD1-CG 3.31Å; N421-L452 WeakPolarHBondContact OD1-CG 3.39Å; N421-L452 PolarHBondContact OD1-N 2.67Å; L431-L452 WeakPolarHBondContact CD2-O 3.47Å; G450-L452 PolarHBondContact O-N 2.72Å; L452-N454 VanDerWaalsContact C-N 3.3Å; L452-N454 PolarHBondContact O-N 2.91Å; L452-T455 WeakPolarHBondContact CB-OG1 3.36Å; L452-L635 CarbonylContact C-O 3.57Å; L452-L635 WeakPolarHBondContact CA-O 3.42Å; L452-L635 WeakPolarHBondContact CB-O 3.24Å; L452-L635 VanDerWaalsContact CD2-C 3.44Å; L452-L635 HydrophobicContact CD2-CB 4.17Å; L452-L635 WeakPolarHBondContact CD2-O 3.42Å; L452-L636 WeakPolarHBondContact CD2-O 3.29Å
453	L	89.1	Confident	88.2	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-21.4	-169.8	-66.4	174.7	0	0	0	113.9	V447 P463 L479 L482 A484 L635	V447-L453 HydrophobicContact CB-CD2 4.47Å; V447-L453 HydrophobicContact CG1-CD2 3.86Å; V447-L453 HydrophobicContact CG2-CD2 3.68Å; L453-P463 WeakPolarHBondContact O-CD 3.37Å; L453-L479 HydrophobicContact CD2-CD2 3.64Å; L453-L482 HydrophobicContact CD1-CB 3.81Å; L453-L482 WeakPolarHBondContact CD1-O 3.29Å; L453-A484 HydrophobicContact CB-CB 4.28Å; L453-L635 HydrophobicContact CD1-CB 4.31Å; L453-L635 HydrophobicContact CD1-CD1 4.13Å; L453-L635 HydrophobicContact CG-CB 4.11Å; L453-L635 HydrophobicContact CG-CD1 4.13Å; L453-L635 PolarHBondContact N-O 3.36Å
454	N	86	Confident	88.1	Confident	1 Å²	1	30.3 Å²	30.3	1%	0.005	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.1	16.6	-168.1	-65.3	-56.2	0	0	0	113.2	L452 S485 L636 Y690	L452-N454 VanDerWaalsContact C-N 3.3Å; L452-N454 PolarHBondContact O-N 2.91Å; N454-S485 PolarHBondContact ND2-OG 3.29Å; N454-S485 WeakPolarHBondContact OD1-CB 3.32Å; N454-S485 PolarHBondContact OD1-N 3.49Å; N454-L636 HydrophobicContact CB-CD2 3.64Å; N454-L636 WeakPolarHBondContact ND2-CD2 3.43Å; N454-Y690 WeakPolarHBondContact O-CE2 3.36Å
455	T	83.9	Confident	88.2	Confident	3 Å²	3	24.7 Å²	24.7	2%	0.018	13%	0.134	C	C	.	.			trans	-62.7	132.7	173.7	-68.4	0	0	0	0	111.3	T429 H432 L452 G457	T429-T455 HydrophobicContact CG2-CG2 4.08Å; H432-T455 PolarHBondContact CE1-O 2.84Å; H432-T455 VanDerWaalsContact CE1-O 3.25Å; H432-T455 PolarHBondContact NE2-O 3.02Å; L452-T455 WeakPolarHBondContact CB-OG1 3.36Å; T455-G457 PolarHBondContact O-N 3.08Å
456	P	83.8	Confident	88.2	Confident	15 Å²	15	23.6 Å²	23.6	10%	0.097	13%	0.128	C	C	.	.			trans	-74.3	125	172.9	28.6	-32	0	0	0	110.5	K423 N460 D461 Y690	K423-P456 PolarHBondContact NZ-O 3.18Å; P456-N460 HydrophobicContact CB-CB 4.21Å; P456-D461 CarbonylContact C-O 3.55Å; P456-D461 WeakPolarHBondContact CA-O 3.36Å; P456-Y690 HydrophobicContact CG-CD2 4.44Å
457	G	86.2	Confident	88.3	Confident	9 Å²	9	23.6 Å²	23.6	9%	0.093	13%	0.128	C	C	.	.			trans	-95.9	-140.1	173.1	0	0	0	0	0	112.9	G427 H432 T455 N460 D461	G427-G457 WeakPolarHBondContact O-CA 3.46Å; H432-G457 WeakPolarHBondContact NE2-CA 3.2Å; H432-G457 PolarHBondContact NE2-N 3.39Å; T455-G457 PolarHBondContact O-N 3.08Å; G457-N460 PolarHBondContact O-N 3.29Å; G457-D461 PolarHBondContact N-O 3.21Å
458	Y	85.6	Confident	88.5	Confident	125 Å²	125	23 Å²	23	49%	0.49	12%	0.124	S	C	.	.	G	3₁₀ helix	trans	-63.4	143.1	173.5	-174.9	-112.6	0	0	0	109.7	A426 W428 N460 D461	A426-Y458 HydrophobicContact CB-CD2 4.48Å; A426-Y458 WeakPolarHBondContact O-CD2 3.48Å; W428-Y458 VanDerWaalsContact CD1-CB 3.49Å; W428-Y458 VanDerWaalsContact CD1-N 3.34Å; Y458-N460 PolarHBondContact O-N 3.07Å; Y458-D461 WeakPolarHBondContact O-CB 3.29Å; Y458-D461 PolarHBondContact O-N 3.28Å
459	E	83.1	Confident	88.8	Confident	65 Å²	65	22.6 Å²	22.6	30%	0.304	11%	0.107	S	C	.	.	G	3₁₀ helix	trans	50.7	24.4	-177.1	-66.1	178.5	175.9	0	0	114.2	D461 N490 L491 H492	E459-D461 PolarHBondContact O-N 2.81Å; E459-N490 WeakPolarHBondContact O-CB 3.3Å; E459-L491 HydrophobicContact CB-CB 4.39Å; E459-L491 WeakPolarHBondContact O-CB 3.44Å; E459-L491 PolarHBondContact O-N 2.85Å; E459-H492 VanDerWaalsContact CD-NE2 3.34Å; E459-H492 IonicContact OE1-NE2 3.61Å; E459-H492 IonicContact OE2-CD2 3.56Å; E459-H492 IonicContact OE2-CE1 3.89Å; E459-H492 IonicContact OE2-NE2 2.9Å; E459-H492 PolarHBondContact OE2-NE2 3.24Å
460	N	80.7	Confident	89	Confident	36 Å²	36	21 Å²	21	19%	0.193	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	55.8	20.4	-171.9	-55.4	-19.9	0	0	0	114.9	P456 G457 Y458 A688	P456-N460 HydrophobicContact CB-CB 4.21Å; G457-N460 PolarHBondContact O-N 3.29Å; Y458-N460 PolarHBondContact O-N 3.07Å; N460-A688 VanDerWaalsContact ND2-CB 3.27Å; N460-A688 WeakPolarHBondContact ND2-CB 3.48Å; N460-A688 WeakPolarHBondContact OD1-CB 3.36Å
461	D	87.9	Confident	89.5	Confident	1 Å²	1	21 Å²	21	1%	0.005	11%	0.107	C	C	.	.			trans	-60.6	148.9	168	-73.7	-51	0	0	0	110.6	H432 P456 G457 Y458 E459 H465 R469 N490	H432-D461 PolarHBondContact NE2-O 3.18Å; P456-D461 CarbonylContact C-O 3.55Å; P456-D461 WeakPolarHBondContact CA-O 3.36Å; G457-D461 PolarHBondContact N-O 3.21Å; Y458-D461 WeakPolarHBondContact O-CB 3.29Å; Y458-D461 PolarHBondContact O-N 3.28Å; E459-D461 PolarHBondContact O-N 2.81Å; D461-H465 HydrophobicContact CB-CB 3.89Å; D461-H465 IonicContact OD1-CD2 3.71Å; D461-H465 PolarHBondContact OD1-CD2 2.8Å; D461-H465 IonicContact OD1-CG 2.72Å; D461-R469 IonicContact OD1-CZ 2.68Å; D461-R469 IonicContact OD1-NH1 2.81Å; D461-R469 IonicContact OD1-NH2 3.36Å; D461-R469 PolarHBondContact OD1-NH2 3.4Å; D461-R469 IonicContact OD2-CZ 3.73Å; D461-R469 IonicContact OD2-NH1 3.29Å; D461-R469 PolarHBondContact OD2-NH1 2.78Å; D461-R469 IonicContact OD2-NH2 2.65Å; D461-R469 PolarHBondContact OD2-NH2 3.2Å; D461-N490 PolarHBondContact OD1-ND2 2.9Å
462	S	91.6	Very high	89.8	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.118	C	C	.	.			trans	-100.5	163.4	169	69.5	0	0	0	0	110.5	L464 H465 D466	S462-L464 PolarHBondContact O-N 3.23Å; S462-H465 PolarHBondContact N-ND1 2.71Å; S462-H465 VanDerWaalsContact N-ND1 3.14Å; S462-H465 WeakPolarHBondContact O-CA 3.19Å; S462-H465 VanDerWaalsContact O-CB 3.29Å; S462-H465 WeakPolarHBondContact O-CB 3.25Å; S462-H465 PolarHBondContact O-N 2.78Å; S462-H465 PolarHBondContact OG-ND1 2.96Å; S462-D466 PolarHBondContact O-N 3.49Å
463	P	94.9	Very high	90	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-54.9	-23	175.3	-26.8	34.3	0	0	0	114.4	L431 H432 C435 L453 A467	L431-P463 HydrophobicContact CD2-CB 4.12Å; L431-P463 HydrophobicContact CD2-CG 3.92Å; L431-P463 HydrophobicContact CG-CB 3.99Å; L431-P463 HydrophobicContact CG-CG 4.04Å; H432-P463 WeakPolarHBondContact NE2-CD 3.34Å; C435-P463 HydrophobicContact CB-CB 4.27Å; C435-P463 WeakPolarHBondContact CB-O 3.48Å; L453-P463 WeakPolarHBondContact O-CD 3.37Å; P463-A467 WeakPolarHBondContact O-CB 3.44Å; P463-A467 PolarHBondContact O-N 3.48Å; P463-A467 VanDerWaalsContact O-N 3.13Å
464	L	94.5	Very high	90.2	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-74.1	-36.5	172	-175.2	62.1	0	0	0	112.6	S462 V468 V476 L479 L480 A484 P496	S462-L464 PolarHBondContact O-N 3.23Å; L464-V468 HydrophobicContact CD1-CG2 4.19Å; L464-V468 HydrophobicContact CG-CG2 4.48Å; L464-V468 WeakPolarHBondContact O-CB 3.29Å; L464-V468 WeakPolarHBondContact O-CG2 3.46Å; L464-V468 PolarHBondContact O-N 2.93Å; L464-V476 HydrophobicContact CD1-CG1 4.13Å; L464-L479 HydrophobicContact CB-CD1 4.2Å; L464-L479 HydrophobicContact CD1-CB 4.05Å; L464-L479 HydrophobicContact CD1-CD1 4.05Å; L464-L480 HydrophobicContact CD1-CD2 4.27Å; L464-L480 HydrophobicContact CD1-CG 4.27Å; L464-L480 HydrophobicContact CD2-CD2 3.85Å; L464-A484 HydrophobicContact CB-CB 4.37Å; L464-A484 HydrophobicContact CD2-CB 4.08Å; L464-P496 HydrophobicContact CB-CG 4.36Å; L464-P496 HydrophobicContact CD2-CB 4.16Å; L464-P496 HydrophobicContact CD2-CG 3.96Å; L464-P496 HydrophobicContact CG-CB 3.89Å; L464-P496 HydrophobicContact CG-CG 4.03Å
465	H	94.2	Very high	90.6	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-58.9	-49.5	171.4	-72.1	81.2	0	0	0	110.5	D461 S462 A467 V468 R469 V488 K494 R495 P496 Y499	D461-H465 HydrophobicContact CB-CB 3.89Å; D461-H465 IonicContact OD1-CD2 3.71Å; D461-H465 PolarHBondContact OD1-CD2 2.8Å; D461-H465 IonicContact OD1-CG 2.72Å; S462-H465 PolarHBondContact N-ND1 2.71Å; S462-H465 VanDerWaalsContact N-ND1 3.14Å; S462-H465 WeakPolarHBondContact O-CA 3.19Å; S462-H465 VanDerWaalsContact O-CB 3.29Å; S462-H465 WeakPolarHBondContact O-CB 3.25Å; S462-H465 PolarHBondContact O-N 2.78Å; S462-H465 PolarHBondContact OG-ND1 2.96Å; H465-A467 PolarHBondContact O-N 2.89Å; H465-V468 PolarHBondContact O-N 2.71Å; H465-R469 WeakPolarHBondContact O-CB 3.42Å; H465-R469 PolarHBondContact O-N 2.89Å; H465-V488 PolarHBondContact CE1-O 2.94Å; H465-K494 PolarHBondContact NE2-O 2.79Å; H465-R495 VanDerWaalsContact NE2-C 3.35Å; H465-P496 VanDerWaalsContact CE1-CD 3.44Å; H465-P496 WeakPolarHBondContact CE1-CD 3.44Å; H465-P496 WeakPolarHBondContact NE2-CD 3.33Å; H465-Y499 AromaticContact CD2-CD2 3.94Å; H465-Y499 AromaticContact CD2-CE2 3.94Å
466	D	94.4	Very high	91.1	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-65	-41.5	-178.6	-67.5	-39.5	0	0	0	112.9	H432 N436 S462 V468 R469 N470	H432-D466 IonicContact CD2-OD2 3.86Å; H432-D466 PolarHBondContact CD2-OD2 3.37Å; H432-D466 IonicContact CG-OD2 3.05Å; N436-D466 HydrophobicContact CB-CB 4.08Å; S462-D466 PolarHBondContact O-N 3.49Å; D466-V468 VanDerWaalsContact C-N 3.33Å; D466-V468 PolarHBondContact O-N 2.91Å; D466-R469 IonicContact OD1-CZ 2.66Å; D466-R469 IonicContact OD1-NH1 2.64Å; D466-R469 PolarHBondContact OD1-NH1 3.41Å; D466-N470 WeakPolarHBondContact O-CB 3.38Å; D466-N470 PolarHBondContact O-N 2.88Å; D466-N470 VanDerWaalsContact O-N 3.12Å; D466-N470 PolarHBondContact O-ND2 2.78Å
467	A	94.9	Very high	91.5	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-63.1	-38.3	175.8	0	0	0	0	0	112.4	C435 P463 H465 G471 H472 I475 V476 L479	C435-A467 HydrophobicContact CB-CB 4.2Å; P463-A467 WeakPolarHBondContact O-CB 3.44Å; P463-A467 PolarHBondContact O-N 3.48Å; P463-A467 VanDerWaalsContact O-N 3.13Å; H465-A467 PolarHBondContact O-N 2.89Å; A467-G471 PolarHBondContact O-N 3.02Å; A467-H472 PolarHBondContact O-N 2.57Å; A467-I475 HydrophobicContact CB-CB 4.24Å; A467-I475 HydrophobicContact CB-CG2 3.62Å; A467-V476 HydrophobicContact CB-CG2 3.78Å; A467-L479 HydrophobicContact CB-CD1 3.95Å
468	V	94.6	Very high	91.7	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.006	17%	0.166	C	C	.	.	H	α-helix	trans	-74.6	-46.9	178	174.6	0	0	0	0	111.5	L464 H465 D466 N470 G471 V476 P496 A500 I509	L464-V468 HydrophobicContact CD1-CG2 4.19Å; L464-V468 HydrophobicContact CG-CG2 4.48Å; L464-V468 WeakPolarHBondContact O-CB 3.29Å; L464-V468 WeakPolarHBondContact O-CG2 3.46Å; L464-V468 PolarHBondContact O-N 2.93Å; H465-V468 PolarHBondContact O-N 2.71Å; D466-V468 VanDerWaalsContact C-N 3.33Å; D466-V468 PolarHBondContact O-N 2.91Å; V468-N470 VanDerWaalsContact C-N 3.29Å; V468-N470 PolarHBondContact O-N 3.38Å; V468-G471 PolarHBondContact O-N 3.3Å; V468-V476 HydrophobicContact CB-CG2 4.32Å; V468-V476 HydrophobicContact CG2-CB 4.38Å; V468-V476 HydrophobicContact CG2-CG1 3.87Å; V468-V476 HydrophobicContact CG2-CG2 3.54Å; V468-P496 VanDerWaalsContact CG1-O 3.23Å; V468-P496 WeakPolarHBondContact CG1-O 3.38Å; V468-P496 HydrophobicContact CG2-CB 4.37Å; V468-A500 HydrophobicContact CG1-CB 3.58Å; V468-I509 HydrophobicContact CB-CD1 4.36Å; V468-I509 HydrophobicContact CG1-CD1 3.76Å; V468-I509 HydrophobicContact CG2-CD1 3.59Å; V468-I509 HydrophobicContact CG2-CG1 4.32Å
469	R	92.6	Very high	92	Very high	61 Å²	61	25.8 Å²	25.8	23%	0.23	14%	0.143	C	C	.	.	H	α-helix	trans	-53.5	-42.7	178.7	172.3	-175.8	-66	161.8	-10.5	112.9	D461 H465 D466 Y499	D461-R469 IonicContact OD1-CZ 2.68Å; D461-R469 IonicContact OD1-NH1 2.81Å; D461-R469 IonicContact OD1-NH2 3.36Å; D461-R469 PolarHBondContact OD1-NH2 3.4Å; D461-R469 IonicContact OD2-CZ 3.73Å; D461-R469 IonicContact OD2-NH1 3.29Å; D461-R469 PolarHBondContact OD2-NH1 2.78Å; D461-R469 IonicContact OD2-NH2 2.65Å; D461-R469 PolarHBondContact OD2-NH2 3.2Å; H465-R469 WeakPolarHBondContact O-CB 3.42Å; H465-R469 PolarHBondContact O-N 2.89Å; D466-R469 IonicContact OD1-CZ 2.66Å; D466-R469 IonicContact OD1-NH1 2.64Å; D466-R469 PolarHBondContact OD1-NH1 3.41Å; R469-Y499 HydrophobicContact CB-CD1 4.33Å; R469-Y499 HydrophobicContact CB-CG 4.48Å; R469-Y499 HydrophobicContact CG-CD1 4.28Å; R469-Y499 VanDerWaalsContact NH2-CE1 3.28Å; R469-Y499 VanDerWaalsContact NH2-CZ 3.31Å
470	N	92.3	Very high	92.3	Very high	70 Å²	70	23.2 Å²	23.2	37%	0.374	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	5.8	-179.1	-63.3	-79.5	0	0	0	113.4	N436 D466 V468 H472	N436-N470 WeakPolarHBondContact O-CB 3.33Å; N436-N470 PolarHBondContact OD1-ND2 2.95Å; D466-N470 WeakPolarHBondContact O-CB 3.38Å; D466-N470 PolarHBondContact O-N 2.88Å; D466-N470 VanDerWaalsContact O-N 3.12Å; D466-N470 PolarHBondContact O-ND2 2.78Å; V468-N470 VanDerWaalsContact C-N 3.29Å; V468-N470 PolarHBondContact O-N 3.38Å; N470-H472 VanDerWaalsContact CB-NE2 3.34Å; N470-H472 WeakPolarHBondContact CB-NE2 3.47Å
471	G	91.9	Very high	92.6	Very high	28 Å²	28	27.5 Å²	27.5	29%	0.289	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.8	9.4	168.7	0	0	0	0	0	116.8	A467 V468 A473	A467-G471 PolarHBondContact O-N 3.02Å; V468-G471 PolarHBondContact O-N 3.3Å; G471-A473 VanDerWaalsContact C-N 3.28Å; G471-A473 PolarHBondContact O-N 3.21Å
472	H	94.9	Very high	92.3	Very high	49 Å²	49	29.8 Å²	29.8	23%	0.227	16%	0.162	C	C	.	.			trans	-78.3	65.5	-168.2	-60.4	-59	0	0	0	113.7	C435 N436 G438 A467 N470 A474 I475 V476	C435-H472 PolarHBondContact O-CD2 2.82Å; N436-H472 PolarHBondContact O-NE2 3.24Å; G438-H472 WeakPolarHBondContact CA-CE1 3.4Å; G438-H472 VanDerWaalsContact CA-ND1 3.34Å; G438-H472 WeakPolarHBondContact CA-ND1 3.43Å; G438-H472 PolarHBondContact N-NE2 2.94Å; A467-H472 PolarHBondContact O-N 2.57Å; N470-H472 VanDerWaalsContact CB-NE2 3.34Å; N470-H472 WeakPolarHBondContact CB-NE2 3.47Å; H472-A474 PolarHBondContact O-N 3.25Å; H472-I475 HydrophobicContact CB-CB 4.13Å; H472-I475 HydrophobicContact CB-CD1 4.09Å; H472-I475 HydrophobicContact CB-CG1 4.38Å; H472-I475 WeakPolarHBondContact O-CA 2.97Å; H472-I475 WeakPolarHBondContact O-CB 3.44Å; H472-I475 PolarHBondContact O-N 2.91Å; H472-V476 PolarHBondContact O-N 2.94Å
473	A	92.6	Very high	91.8	Very high	29 Å²	29	31.9 Å²	31.9	24%	0.24	18%	0.184	C	C	.	.	H	α-helix	trans	-49.2	-33.7	-173.1	0	0	0	0	0	115.4	G471 K477 L505 L508	G471-A473 VanDerWaalsContact C-N 3.28Å; G471-A473 PolarHBondContact O-N 3.21Å; A473-K477 WeakPolarHBondContact O-CB 3.38Å; A473-K477 PolarHBondContact O-N 3.08Å; A473-L505 HydrophobicContact CB-CD2 3.81Å; A473-L508 HydrophobicContact CB-CD1 3.81Å
474	A	93.3	Very high	91.4	Very high	60 Å²	60	32.1 Å²	32.1	50%	0.496	19%	0.186	S	C	.	.	H	α-helix	trans	-70.9	-34.8	176.7	0	0	0	0	0	113.3	L440 H472 L478	L440-A474 HydrophobicContact CD2-CB 4.03Å; H472-A474 PolarHBondContact O-N 3.25Å; A474-L478 PolarHBondContact O-N 3.43Å
475	I	95.3	Very high	90.8	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.01	20%	0.199	C	C	.	.	H	α-helix	trans	-74.2	-45.8	172.9	-67.2	173.8	0	0	0	109.6	C435 G438 L440 V443 A467 H472 K477 L478 L479	C435-I475 HydrophobicContact CB-CG2 4.35Å; G438-I475 VanDerWaalsContact C-CD1 3.45Å; L440-I475 HydrophobicContact CB-CD1 4.49Å; L440-I475 HydrophobicContact CB-CG1 4.06Å; L440-I475 HydrophobicContact CD1-CG1 3.78Å; V443-I475 HydrophobicContact CG1-CG2 4.34Å; V443-I475 HydrophobicContact CG2-CD1 3.95Å; V443-I475 HydrophobicContact CG2-CG1 4.33Å; V443-I475 HydrophobicContact CG2-CG2 4.3Å; A467-I475 HydrophobicContact CB-CB 4.24Å; A467-I475 HydrophobicContact CB-CG2 3.62Å; H472-I475 HydrophobicContact CB-CB 4.13Å; H472-I475 HydrophobicContact CB-CD1 4.09Å; H472-I475 HydrophobicContact CB-CG1 4.38Å; H472-I475 WeakPolarHBondContact O-CA 2.97Å; H472-I475 WeakPolarHBondContact O-CB 3.44Å; H472-I475 PolarHBondContact O-N 2.91Å; I475-K477 VanDerWaalsContact C-N 3.3Å; I475-K477 PolarHBondContact O-N 3.03Å; I475-L478 WeakPolarHBondContact O-CB 3.36Å; I475-L478 PolarHBondContact O-N 3.28Å; I475-L479 HydrophobicContact CG2-CD1 3.77Å; I475-L479 HydrophobicContact CG2-CG 4Å; I475-L479 WeakPolarHBondContact O-CG 3.49Å; I475-L479 PolarHBondContact O-N 2.91Å
476	V	93.9	Very high	90.4	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-52.6	-49.8	175.3	175.5	0	0	0	0	110.4	L464 A467 V468 H472 L478 L479 L480 L505 I509	L464-V476 HydrophobicContact CD1-CG1 4.13Å; A467-V476 HydrophobicContact CB-CG2 3.78Å; V468-V476 HydrophobicContact CB-CG2 4.32Å; V468-V476 HydrophobicContact CG2-CB 4.38Å; V468-V476 HydrophobicContact CG2-CG1 3.87Å; V468-V476 HydrophobicContact CG2-CG2 3.54Å; H472-V476 PolarHBondContact O-N 2.94Å; V476-L478 PolarHBondContact O-N 2.8Å; V476-L479 PolarHBondContact O-N 2.82Å; V476-L480 HydrophobicContact CG1-CD1 3.84Å; V476-L480 HydrophobicContact CG1-CG 4.42Å; V476-L480 WeakPolarHBondContact O-CB 3.45Å; V476-L480 WeakPolarHBondContact O-CG 3.42Å; V476-L480 PolarHBondContact O-N 3.01Å; V476-L505 HydrophobicContact CB-CD2 4.46Å; V476-L505 HydrophobicContact CG2-CD2 4.09Å; V476-I509 HydrophobicContact CG1-CG1 4.21Å
477	K	92	Very high	89.8	Confident	114 Å²	114	42.3 Å²	42.3	50%	0.496	24%	0.241	S	C	.	.	H	α-helix	trans	-59.4	-43.7	176.1	-175.5	176.9	176.4	-179.7	0	112.6	A473 I475 Q481	A473-K477 WeakPolarHBondContact O-CB 3.38Å; A473-K477 PolarHBondContact O-N 3.08Å; I475-K477 VanDerWaalsContact C-N 3.3Å; I475-K477 PolarHBondContact O-N 3.03Å; K477-Q481 WeakPolarHBondContact O-CB 3.45Å; K477-Q481 VanDerWaalsContact O-CG 3.24Å; K477-Q481 WeakPolarHBondContact O-CG 3.15Å; K477-Q481 PolarHBondContact O-N 3.38Å
478	L	91.5	Very high	89.1	Confident	26 Å²	26	43.4 Å²	43.4	14%	0.136	25%	0.248	C	C	.	.	H	α-helix	trans	-62.8	-48.9	177.9	177.5	64.1	0	0	0	111.9	L440 V443 K444 A474 I475 V476 L480 Q481 L482	L440-L478 HydrophobicContact CD1-CB 4.43Å; L440-L478 HydrophobicContact CD1-CD2 3.74Å; V443-L478 HydrophobicContact CG1-CD2 3.96Å; K444-L478 HydrophobicContact CG-CD2 3.59Å; A474-L478 PolarHBondContact O-N 3.43Å; I475-L478 WeakPolarHBondContact O-CB 3.36Å; I475-L478 PolarHBondContact O-N 3.28Å; V476-L478 PolarHBondContact O-N 2.8Å; L478-L480 VanDerWaalsContact C-N 3.35Å; L478-L480 PolarHBondContact O-N 3.47Å; L478-Q481 PolarHBondContact O-N 2.74Å; L478-L482 HydrophobicContact CD1-CD1 3.87Å; L478-L482 HydrophobicContact CD1-CG 4.31Å; L478-L482 HydrophobicContact CG-CD1 4.13Å; L478-L482 WeakPolarHBondContact O-CG 3.36Å; L478-L482 PolarHBondContact O-N 3.28Å; L478-L482 VanDerWaalsContact O-N 3.09Å
479	L	90.8	Very high	88.4	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-59.7	-45.1	179	-67.7	176	0	0	0	111.1	V443 L453 L464 A467 I475 V476 Q481 L482 G483 A484	V443-L479 HydrophobicContact CG1-CD2 4.49Å; L453-L479 HydrophobicContact CD2-CD2 3.64Å; L464-L479 HydrophobicContact CB-CD1 4.2Å; L464-L479 HydrophobicContact CD1-CB 4.05Å; L464-L479 HydrophobicContact CD1-CD1 4.05Å; A467-L479 HydrophobicContact CB-CD1 3.95Å; I475-L479 HydrophobicContact CG2-CD1 3.77Å; I475-L479 HydrophobicContact CG2-CG 4Å; I475-L479 WeakPolarHBondContact O-CG 3.49Å; I475-L479 PolarHBondContact O-N 2.91Å; V476-L479 PolarHBondContact O-N 2.82Å; L479-Q481 PolarHBondContact O-N 2.91Å; L479-L482 CarbonylContact O-C 3.6Å; L479-L482 PolarHBondContact O-N 3.37Å; L479-L482 VanDerWaalsContact O-N 3.13Å; L479-G483 PolarHBondContact O-N 3.17Å; L479-A484 HydrophobicContact CB-CB 3.74Å; L479-A484 WeakPolarHBondContact O-CB 3.44Å; L479-A484 PolarHBondContact O-N 3.38Å
480	L	89.4	Confident	87.8	Confident	11 Å²	11	44.9 Å²	44.9	6%	0.058	26%	0.26	C	S	.	.	H	α-helix	trans	-63.3	-39.8	176.2	-67.4	174.1	0	0	0	112.4	L464 V476 L478 L482 G483 Q486 I509 I513	L464-L480 HydrophobicContact CD1-CD2 4.27Å; L464-L480 HydrophobicContact CD1-CG 4.27Å; L464-L480 HydrophobicContact CD2-CD2 3.85Å; V476-L480 HydrophobicContact CG1-CD1 3.84Å; V476-L480 HydrophobicContact CG1-CG 4.42Å; V476-L480 WeakPolarHBondContact O-CB 3.45Å; V476-L480 WeakPolarHBondContact O-CG 3.42Å; V476-L480 PolarHBondContact O-N 3.01Å; L478-L480 VanDerWaalsContact C-N 3.35Å; L478-L480 PolarHBondContact O-N 3.47Å; L480-L482 PolarHBondContact O-N 2.95Å; L480-G483 PolarHBondContact O-N 3.04Å; L480-Q486 HydrophobicContact CD2-CG 3.46Å; L480-Q486 VanDerWaalsContact CD2-CG 3.46Å; L480-I509 HydrophobicContact CD1-CG1 4.45Å; L480-I513 HydrophobicContact CB-CD1 4.3Å
481	Q	86.7	Confident	86.9	Confident	126 Å²	126	45.7 Å²	45.7	59%	0.589	26%	0.264	S	S	*	.	H	α-helix	trans	-65.7	-21.2	174.5	-75.7	-178.9	-66.5	0	0	113.5	K477 L478 L479	K477-Q481 WeakPolarHBondContact O-CB 3.45Å; K477-Q481 VanDerWaalsContact O-CG 3.24Å; K477-Q481 WeakPolarHBondContact O-CG 3.15Å; K477-Q481 PolarHBondContact O-N 3.38Å; L478-Q481 PolarHBondContact O-N 2.74Å; L479-Q481 PolarHBondContact O-N 2.91Å
482	L	81.4	Confident	86.2	Confident	49 Å²	49	49 Å²	49	26%	0.257	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	8.4	177.7	-59.5	177.9	0	0	0	113.2	V447 L453 L478 L479 L480 L525	V447-L482 HydrophobicContact CG1-CD1 3.78Å; L453-L482 HydrophobicContact CD1-CB 3.81Å; L453-L482 WeakPolarHBondContact CD1-O 3.29Å; L478-L482 HydrophobicContact CD1-CD1 3.87Å; L478-L482 HydrophobicContact CD1-CG 4.31Å; L478-L482 HydrophobicContact CG-CD1 4.13Å; L478-L482 WeakPolarHBondContact O-CG 3.36Å; L478-L482 PolarHBondContact O-N 3.28Å; L478-L482 VanDerWaalsContact O-N 3.09Å; L479-L482 CarbonylContact O-C 3.6Å; L479-L482 PolarHBondContact O-N 3.37Å; L479-L482 VanDerWaalsContact O-N 3.13Å; L480-L482 PolarHBondContact O-N 2.95Å; L482-L525 HydrophobicContact CD1-CD1 4.1Å; L482-L525 HydrophobicContact CD2-CB 4.36Å; L482-L525 HydrophobicContact CD2-CD1 3.61Å; L482-L525 HydrophobicContact CD2-CG 3.96Å
483	G	81.5	Confident	85.4	Confident	44 Å²	44	49.1 Å²	49.1	45%	0.454	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.4	19.5	174.2	0	0	0	0	0	115.5	L479 L480 S485	L479-G483 PolarHBondContact O-N 3.17Å; L480-G483 PolarHBondContact O-N 3.04Å; G483-S485 PolarHBondContact O-N 2.71Å
484	A	85.8	Confident	84.9	Confident	5 Å²	5	52.3 Å²	52.3	4%	0.041	29%	0.294	C	S	.	.			trans	-58.7	133.5	170.9	0	0	0	0	0	111.2	L453 L464 L479 Q486	L453-A484 HydrophobicContact CB-CB 4.28Å; L464-A484 HydrophobicContact CB-CB 4.37Å; L464-A484 HydrophobicContact CD2-CB 4.08Å; L479-A484 HydrophobicContact CB-CB 3.74Å; L479-A484 WeakPolarHBondContact O-CB 3.44Å; L479-A484 PolarHBondContact O-N 3.38Å; A484-Q486 PolarHBondContact O-N 3.04Å
485	S	82.5	Confident	84.6	Confident	41 Å²	41	54.4 Å²	54.4	29%	0.287	29%	0.289	S	S	.	.			trans	-81.8	109.5	-165.6	-64.2	0	0	0	0	111.5	N454 G483 N487	N454-S485 PolarHBondContact ND2-OG 3.29Å; N454-S485 WeakPolarHBondContact OD1-CB 3.32Å; N454-S485 PolarHBondContact OD1-N 3.49Å; G483-S485 PolarHBondContact O-N 2.71Å; S485-N487 PolarHBondContact O-N 3.1Å; S485-N487 VanDerWaalsContact O-N 3.15Å
486	Q	85.5	Confident	84.3	Confident	63 Å²	63	54.3 Å²	54.3	29%	0.294	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-15.3	179.8	-59.3	178.4	22.2	0	0	114.5	L480 A484 P496 I509	L480-Q486 HydrophobicContact CD2-CG 3.46Å; L480-Q486 VanDerWaalsContact CD2-CG 3.46Å; A484-Q486 PolarHBondContact O-N 3.04Å; Q486-P496 WeakPolarHBondContact O-CD 3.3Å; Q486-I509 HydrophobicContact CG-CG2 4.46Å; Q486-I509 PolarHBondContact OE1-O 3.03Å
487	N	82.4	Confident	84	Confident	109 Å²	109	54.9 Å²	54.9	58%	0.583	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.9	6.6	-170.6	-66.2	-32.6	0	0	0	114	S485 L489 R495	S485-N487 PolarHBondContact O-N 3.1Å; S485-N487 VanDerWaalsContact O-N 3.15Å; N487-L489 PolarHBondContact O-N 3Å; N487-R495 PolarHBondContact OD1-NH1 2.92Å
488	V	79.6	Confident	83.8	Confident	24 Å²	24	54.3 Å²	54.3	15%	0.145	30%	0.296	C	S	.	.			trans	-61.1	134.9	172.2	178.6	0	0	0	0	108.8	H465 R495	H465-V488 PolarHBondContact CE1-O 2.94Å; V488-R495 WeakPolarHBondContact O-CA 3.42Å
489	L	80.4	Confident	83.7	Confident	85 Å²	85	55.1 Å²	55.1	45%	0.445	30%	0.297	S	S	.	.			trans	-101.1	129.9	172.5	-56.8	-179.7	0	0	0	109.4	N487 K494 R495	N487-L489 PolarHBondContact O-N 3Å; L489-K494 WeakPolarHBondContact CA-O 3.37Å; L489-R495 HydrophobicContact CD2-CG 3.51Å
490	N	80.8	Confident	83.6	Confident	7 Å²	7	55.2 Å²	55.2	4%	0.037	30%	0.299	C	S	.	.			trans	-81.4	-177.8	170.7	79.4	1.9	0	0	0	111.6	E459 D461 H492 G493 K494 Y499	E459-N490 WeakPolarHBondContact O-CB 3.3Å; D461-N490 PolarHBondContact OD1-ND2 2.9Å; N490-H492 PolarHBondContact O-N 2.81Å; N490-H492 VanDerWaalsContact O-N 3.1Å; N490-H492 WeakPolarHBondContact OD1-CB 3.14Å; N490-H492 PolarHBondContact OD1-N 3.42Å; N490-G493 PolarHBondContact O-N 2.92Å; N490-K494 PolarHBondContact N-O 2.71Å; N490-K494 PolarHBondContact OD1-N 3.05Å; N490-K494 VanDerWaalsContact OD1-N 3.17Å; N490-Y499 WeakPolarHBondContact ND2-CE2 3.12Å; N490-Y499 PolarHBondContact ND2-OH 2.93Å
491	L	73.5	Confident	83.1	Confident	88 Å²	88	62 Å²	62	46%	0.461	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-21.4	-177.4	-175.2	63.2	0	0	0	113.5	E459 G493 L700	E459-L491 HydrophobicContact CB-CB 4.39Å; E459-L491 WeakPolarHBondContact O-CB 3.44Å; E459-L491 PolarHBondContact O-N 2.85Å; L491-G493 VanDerWaalsContact C-N 3.34Å; L491-L700 HydrophobicContact CD1-CD2 4.36Å
492	H	76.8	Confident	82.8	Confident	98 Å²	98	61.2 Å²	61.2	45%	0.454	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	7	176.3	-51.1	-82.9	0	0	0	113.2	E459 N490 K494	E459-H492 VanDerWaalsContact CD-NE2 3.34Å; E459-H492 IonicContact OE1-NE2 3.61Å; E459-H492 IonicContact OE2-CD2 3.56Å; E459-H492 IonicContact OE2-CE1 3.89Å; E459-H492 IonicContact OE2-NE2 2.9Å; E459-H492 PolarHBondContact OE2-NE2 3.24Å; N490-H492 PolarHBondContact O-N 2.81Å; N490-H492 VanDerWaalsContact O-N 3.1Å; N490-H492 WeakPolarHBondContact OD1-CB 3.14Å; N490-H492 PolarHBondContact OD1-N 3.42Å; H492-K494 HydrophobicContact CB-CD 4.31Å; H492-K494 HydrophobicContact CB-CG 4.3Å; H492-K494 PolarHBondContact O-N 3.34Å
493	G	76.7	Confident	82.6	Confident	50 Å²	50	65.2 Å²	65.2	52%	0.515	35%	0.348	S	S	.	.	S	Bend	trans	70.9	16	-175.4	0	0	0	0	0	114.2	N490 L491	N490-G493 PolarHBondContact O-N 2.92Å; L491-G493 VanDerWaalsContact C-N 3.34Å
494	K	82.1	Confident	82.7	Confident	96 Å²	96	67.5 Å²	67.5	42%	0.417	35%	0.349	S	S	.	.			trans	-98.4	149.6	-176.6	-68.1	178.5	-178.6	176.9	0	111.8	H465 L489 N490 H492 D498 Y499	H465-K494 PolarHBondContact NE2-O 2.79Å; L489-K494 WeakPolarHBondContact CA-O 3.37Å; N490-K494 PolarHBondContact N-O 2.71Å; N490-K494 PolarHBondContact OD1-N 3.05Å; N490-K494 VanDerWaalsContact OD1-N 3.17Å; H492-K494 HydrophobicContact CB-CD 4.31Å; H492-K494 HydrophobicContact CB-CG 4.3Å; H492-K494 PolarHBondContact O-N 3.34Å; K494-D498 WeakPolarHBondContact CA-OD2 3.39Å; K494-D498 HydrophobicContact CB-CB 4.22Å; K494-D498 HydrophobicContact CG-CB 4.45Å; K494-Y499 HydrophobicContact CB-CD2 4.5Å; K494-Y499 HydrophobicContact CB-CE2 3.71Å; K494-Y499 HydrophobicContact CD-CE2 4.03Å
495	R	87.7	Confident	82.6	Confident	104 Å²	104	67.3 Å²	67.3	39%	0.392	35%	0.348	S	S	.	.			trans	-92.6	164.5	173.3	-64.7	178.4	-167.3	-134.4	-1	110.8	H465 N487 V488 L489 A497 D498	H465-R495 VanDerWaalsContact NE2-C 3.35Å; N487-R495 PolarHBondContact OD1-NH1 2.92Å; V488-R495 WeakPolarHBondContact O-CA 3.42Å; L489-R495 HydrophobicContact CD2-CG 3.51Å; R495-A497 HydrophobicContact CB-CB 4.44Å; R495-A497 PolarHBondContact O-N 3.4Å; R495-D498 PolarHBondContact N-OD2 3.47Å; R495-D498 PolarHBondContact O-N 3.41Å
496	P	89.2	Confident	82.6	Confident	0 Å²	0	70 Å²	70	0%	0	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-54.1	-37	169.6	-21.3	29.3	0	0	0	112.5	L464 H465 V468 Q486 D498 Y499	L464-P496 HydrophobicContact CB-CG 4.36Å; L464-P496 HydrophobicContact CD2-CB 4.16Å; L464-P496 HydrophobicContact CD2-CG 3.96Å; L464-P496 HydrophobicContact CG-CB 3.89Å; L464-P496 HydrophobicContact CG-CG 4.03Å; H465-P496 VanDerWaalsContact CE1-CD 3.44Å; H465-P496 WeakPolarHBondContact CE1-CD 3.44Å; H465-P496 WeakPolarHBondContact NE2-CD 3.33Å; V468-P496 VanDerWaalsContact CG1-O 3.23Å; V468-P496 WeakPolarHBondContact CG1-O 3.38Å; V468-P496 HydrophobicContact CG2-CB 4.37Å; Q486-P496 WeakPolarHBondContact O-CD 3.3Å; P496-D498 PolarHBondContact O-N 3.37Å; P496-Y499 PolarHBondContact O-N 3.16Å
497	A	87.9	Confident	82.5	Confident	13 Å²	13	75.8 Å²	75.8	11%	0.107	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-57	-33.8	177.8	0	0	0	0	0	113.6	R495 Y499 A500 I509	R495-A497 HydrophobicContact CB-CB 4.44Å; R495-A497 PolarHBondContact O-N 3.4Å; A497-Y499 VanDerWaalsContact C-N 3.27Å; A497-Y499 PolarHBondContact O-N 2.78Å; A497-A500 VanDerWaalsContact O-CB 3.27Å; A497-A500 WeakPolarHBondContact O-CB 3.32Å; A497-A500 PolarHBondContact O-N 3.38Å; A497-I509 HydrophobicContact CB-CG2 4.03Å
498	D	88.3	Confident	82.6	Confident	102 Å²	102	72.8 Å²	72.8	55%	0.545	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-75.3	-19.8	-175	-54	-31.9	0	0	0	112.2	K494 R495 P496	K494-D498 WeakPolarHBondContact CA-OD2 3.39Å; K494-D498 HydrophobicContact CB-CB 4.22Å; K494-D498 HydrophobicContact CG-CB 4.45Å; R495-D498 PolarHBondContact N-OD2 3.47Å; R495-D498 PolarHBondContact O-N 3.41Å; P496-D498 PolarHBondContact O-N 3.37Å
499	Y	88.8	Confident	82.7	Confident	42 Å²	42	71.9 Å²	71.9	17%	0.165	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-87.7	-4.6	173.6	-71	-89.6	0	0	0	113.3	H465 R469 N490 K494 P496 A497 Q501	H465-Y499 AromaticContact CD2-CD2 3.94Å; H465-Y499 AromaticContact CD2-CE2 3.94Å; R469-Y499 HydrophobicContact CB-CD1 4.33Å; R469-Y499 HydrophobicContact CB-CG 4.48Å; R469-Y499 HydrophobicContact CG-CD1 4.28Å; R469-Y499 VanDerWaalsContact NH2-CE1 3.28Å; R469-Y499 VanDerWaalsContact NH2-CZ 3.31Å; N490-Y499 WeakPolarHBondContact ND2-CE2 3.12Å; N490-Y499 PolarHBondContact ND2-OH 2.93Å; K494-Y499 HydrophobicContact CB-CD2 4.5Å; K494-Y499 HydrophobicContact CB-CE2 3.71Å; K494-Y499 HydrophobicContact CD-CE2 4.03Å; P496-Y499 PolarHBondContact O-N 3.16Å; A497-Y499 VanDerWaalsContact C-N 3.27Å; A497-Y499 PolarHBondContact O-N 2.78Å; Y499-Q501 PolarHBondContact O-N 2.82Å
500	A	88.8	Confident	82.5	Confident	3 Å²	3	73.9 Å²	73.9	3%	0.025	36%	0.358	C	S	.	.			trans	-73.9	92.1	-177.4	0	0	0	0	0	111.7	V468 A497 H502 L505 K506 I509	V468-A500 HydrophobicContact CG1-CB 3.58Å; A497-A500 VanDerWaalsContact O-CB 3.27Å; A497-A500 WeakPolarHBondContact O-CB 3.32Å; A497-A500 PolarHBondContact O-N 3.38Å; A500-H502 VanDerWaalsContact C-N 3.34Å; A500-H502 PolarHBondContact O-N 3.48Å; A500-L505 HydrophobicContact CB-CB 4.02Å; A500-K506 HydrophobicContact CB-CG 3.68Å; A500-K506 WeakPolarHBondContact O-CE 3.38Å; A500-K506 WeakPolarHBondContact O-CG 3.43Å; A500-I509 HydrophobicContact CB-CD1 4Å
501	Q	78.9	Confident	81.9	Confident	154 Å²	154	74.8 Å²	74.8	72%	0.72	37%	0.365	S	S	*	.			trans	-66.2	-32.7	-178.2	-60.1	-173.4	9.7	0	0	113.5	Y499	Y499-Q501 PolarHBondContact O-N 2.82Å
502	H	79.8	Confident	80.8	Confident	108 Å²	108	75.4 Å²	75.4	50%	0.5	37%	0.374	S	S	.	.	S	Bend	trans	-105.2	145.2	-174.1	-57.1	-53.4	0	0	0	113.2	A500 N504 L505 K506	A500-H502 VanDerWaalsContact C-N 3.34Å; A500-H502 PolarHBondContact O-N 3.48Å; H502-N504 WeakPolarHBondContact CB-OD1 3.27Å; H502-N504 PolarHBondContact O-N 3.45Å; H502-L505 HydrophobicContact CB-CD1 4.2Å; H502-L505 PolarHBondContact O-N 3.43Å; H502-K506 PolarHBondContact O-N 2.97Å
503	N	78.1	Confident	79.8	Confident	133 Å²	133	74.6 Å²	74.6	71%	0.711	37%	0.373	S	S	*	.	H	α-helix	trans	-61.7	-27.9	-178.3	-70.8	-10.6	0	0	0	113.8	W507	N503-W507 WeakPolarHBondContact O-CB 3.3Å; N503-W507 PolarHBondContact O-N 2.73Å
504	N	82.5	Confident	78	Confident	92 Å²	92	81 Å²	81	49%	0.492	39%	0.386	S	S	.	.	H	α-helix	trans	-68.9	-33.6	173.9	64.2	-18.8	0	0	0	112.8	H502 L508	H502-N504 WeakPolarHBondContact CB-OD1 3.27Å; H502-N504 PolarHBondContact O-N 3.45Å; N504-L508 WeakPolarHBondContact O-CB 3.15Å; N504-L508 VanDerWaalsContact O-CG 3.3Å; N504-L508 WeakPolarHBondContact O-CG 3.33Å; N504-L508 PolarHBondContact O-N 2.9Å
505	L	84.3	Confident	76	Confident	1 Å²	1	82 Å²	82	1%	0.005	40%	0.396	C	S	.	.	H	α-helix	trans	-77.6	-43.2	175.6	-69.5	159.6	0	0	0	110.9	A473 V476 A500 H502 W507 L508 I509	A473-L505 HydrophobicContact CB-CD2 3.81Å; V476-L505 HydrophobicContact CB-CD2 4.46Å; V476-L505 HydrophobicContact CG2-CD2 4.09Å; A500-L505 HydrophobicContact CB-CB 4.02Å; H502-L505 HydrophobicContact CB-CD1 4.2Å; H502-L505 PolarHBondContact O-N 3.43Å; L505-W507 VanDerWaalsContact C-N 3.26Å; L505-W507 PolarHBondContact O-N 3.38Å; L505-L508 PolarHBondContact O-N 3.01Å; L505-L508 VanDerWaalsContact O-N 3.17Å; L505-I509 WeakPolarHBondContact O-CG1 3.33Å; L505-I509 PolarHBondContact O-N 3.29Å
506	K	83.4	Confident	73.3	Confident	97 Å²	97	85.7 Å²	85.7	42%	0.422	42%	0.415	S	S	.	.	H	α-helix	trans	-55.3	-45.1	169.7	-69.1	-171.2	-179.7	-170.3	0	110.6	A500 H502 I509 H510	A500-K506 HydrophobicContact CB-CG 3.68Å; A500-K506 WeakPolarHBondContact O-CE 3.38Å; A500-K506 WeakPolarHBondContact O-CG 3.43Å; H502-K506 PolarHBondContact O-N 2.97Å; K506-I509 PolarHBondContact O-N 2.82Å; K506-H510 WeakPolarHBondContact O-CB 3.46Å; K506-H510 PolarHBondContact O-N 3.46Å; K506-H510 PolarHBondContact O-ND1 3.01Å
507	W	83.3	Confident	70.8	Confident	186 Å²	186	91.2 Å²	91.2	71%	0.705	45%	0.454	S	S	*	.	H	α-helix	trans	-61.7	-48.4	174	177.6	-98.7	0	0	0	112.3	N503 L505 I509 H510 S511	N503-W507 WeakPolarHBondContact O-CB 3.3Å; N503-W507 PolarHBondContact O-N 2.73Å; L505-W507 VanDerWaalsContact C-N 3.26Å; L505-W507 PolarHBondContact O-N 3.38Å; W507-I509 VanDerWaalsContact C-N 3.27Å; W507-I509 PolarHBondContact O-N 3.39Å; W507-H510 PolarHBondContact O-N 3.4Å; W507-S511 WeakPolarHBondContact O-CA 3.21Å; W507-S511 WeakPolarHBondContact O-CB 3.29Å; W507-S511 PolarHBondContact O-N 3.15Å; W507-S511 PolarHBondContact O-OG 2.92Å
508	L	84.3	Confident	68.3	Low	46 Å²	46	98.1 Å²	98.1	24%	0.241	48%	0.478	C	S	.	.	H	α-helix	trans	-58.4	-36.6	-179.9	-81.8	166.3	0	0	0	113.5	A473 N504 L505 S511	A473-L508 HydrophobicContact CB-CD1 3.81Å; N504-L508 WeakPolarHBondContact O-CB 3.15Å; N504-L508 VanDerWaalsContact O-CG 3.3Å; N504-L508 WeakPolarHBondContact O-CG 3.33Å; N504-L508 PolarHBondContact O-N 2.9Å; L505-L508 PolarHBondContact O-N 3.01Å; L505-L508 VanDerWaalsContact O-N 3.17Å; L508-S511 PolarHBondContact O-OG 2.8Å
509	I	81.6	Confident	65.5	Low	4 Å²	4	97.8 Å²	97.8	2%	0.021	48%	0.484	C	S	.	.	H	α-helix	trans	-78.9	-48.8	-179.9	-58.3	161.8	0	0	0	110.9	V468 V476 L480 Q486 A497 A500 L505 K506 W507 S511	V468-I509 HydrophobicContact CB-CD1 4.36Å; V468-I509 HydrophobicContact CG1-CD1 3.76Å; V468-I509 HydrophobicContact CG2-CD1 3.59Å; V468-I509 HydrophobicContact CG2-CG1 4.32Å; V476-I509 HydrophobicContact CG1-CG1 4.21Å; L480-I509 HydrophobicContact CD1-CG1 4.45Å; Q486-I509 HydrophobicContact CG-CG2 4.46Å; Q486-I509 PolarHBondContact OE1-O 3.03Å; A497-I509 HydrophobicContact CB-CG2 4.03Å; A500-I509 HydrophobicContact CB-CD1 4Å; L505-I509 WeakPolarHBondContact O-CG1 3.33Å; L505-I509 PolarHBondContact O-N 3.29Å; K506-I509 PolarHBondContact O-N 2.82Å; W507-I509 VanDerWaalsContact C-N 3.27Å; W507-I509 PolarHBondContact O-N 3.39Å; I509-S511 VanDerWaalsContact C-N 3.33Å; I509-S511 PolarHBondContact O-N 2.92Å
510	H	75.3	Confident	63	Low	128 Å²	128	102.7 Å²	102.7	59%	0.593	52%	0.518	S	S	*	.	H	α-helix	trans	-78.3	-14.9	-178.9	-62.5	93.4	0	0	0	113.8	K506 W507	K506-H510 WeakPolarHBondContact O-CB 3.46Å; K506-H510 PolarHBondContact O-N 3.46Å; K506-H510 PolarHBondContact O-ND1 3.01Å; W507-H510 PolarHBondContact O-N 3.4Å
511	S	67.8	Low	60.3	Low	25 Å²	25	109 Å²	109	18%	0.175	55%	0.545	C	S	.	.	S	Bend	trans	-65.1	125.7	177.1	66	0	0	0	0	109.1	W507 L508 I509 I513	W507-S511 WeakPolarHBondContact O-CA 3.21Å; W507-S511 WeakPolarHBondContact O-CB 3.29Å; W507-S511 PolarHBondContact O-N 3.15Å; W507-S511 PolarHBondContact O-OG 2.92Å; L508-S511 PolarHBondContact O-OG 2.8Å; I509-S511 VanDerWaalsContact C-N 3.33Å; I509-S511 PolarHBondContact O-N 2.92Å; S511-I513 PolarHBondContact O-N 3.1Å; S511-I513 VanDerWaalsContact O-N 3.12Å
512	P	52.2	Low	58	Low	101 Å²	101	105.2 Å²	105.2	66%	0.656	54%	0.535	S	S	*	.			trans	-59.2	124.5	170.2	25.3	-32.7	0	0	0	107.2	K514	P512-K514 VanDerWaalsContact C-N 3.3Å; P512-K514 PolarHBondContact O-N 3.12Å
513	I	55	Low	55.8	Low	82 Å²	82	105.1 Å²	105.1	42%	0.421	55%	0.546	S	S	.	.			trans	-61.8	97.5	177.6	-59.6	177.3	0	0	0	106.5	L480 S511 N515	L480-I513 HydrophobicContact CB-CD1 4.3Å; S511-I513 PolarHBondContact O-N 3.1Å; S511-I513 VanDerWaalsContact O-N 3.12Å; I513-N515 VanDerWaalsContact C-N 3.27Å; I513-N515 PolarHBondContact O-N 3.21Å
514	K	38.6	Very low	53.7	Low	185 Å²	185	102 Å²	102	80%	0.804	53%	0.531	S	S	*	.			trans	-69.3	88.1	-176.8	-76.9	-169.3	176.1	-176.3	0	108.8	P512 K516	P512-K514 VanDerWaalsContact C-N 3.3Å; P512-K514 PolarHBondContact O-N 3.12Å; K514-K516 PolarHBondContact O-N 3.03Å
515	N	40.3	Very low	51.2	Low	116 Å²	116	103 Å²	103	62%	0.62	54%	0.536	S	S	*	.			trans	-63.4	76	168.9	-74.7	-11.5	0	0	0	109.6	I513 S517	I513-N515 VanDerWaalsContact C-N 3.27Å; I513-N515 PolarHBondContact O-N 3.21Å; N515-S517 VanDerWaalsContact C-N 3.34Å; N515-S517 PolarHBondContact O-N 2.99Å
516	K	31.5	Very low	48.6	Very low	181 Å²	181	107.7 Å²	107.7	79%	0.787	56%	0.564	S	S	*	*	S	Bend	trans	-57.9	100.9	162.8	-80.7	-169.3	170.2	-169.7	0	107.4	K514 Y518	K514-K516 PolarHBondContact O-N 3.03Å; K516-Y518 VanDerWaalsContact C-N 3.3Å; K516-Y518 PolarHBondContact O-N 3.05Å; K516-Y518 VanDerWaalsContact O-N 3.14Å
517	S	35.1	Very low	46	Very low	116 Å²	116	110.2 Å²	110.2	81%	0.811	58%	0.577	S	S	*	*	S	Bend	trans	49.7	37.5	172	60.4	0	0	0	0	116.7	N515	N515-S517 VanDerWaalsContact C-N 3.34Å; N515-S517 PolarHBondContact O-N 2.99Å
518	Y	37.4	Very low	43.5	Very low	158 Å²	158	103.7 Å²	103.7	62%	0.62	56%	0.56	S	S	*	*			trans	-105.2	65.3	157.7	-74.1	-75.3	0	0	0	109.7	K516 T520	K516-Y518 VanDerWaalsContact C-N 3.3Å; K516-Y518 PolarHBondContact O-N 3.05Å; K516-Y518 VanDerWaalsContact O-N 3.14Å; Y518-T520 PolarHBondContact O-N 2.93Å
519	S	29.5	Very low	40.8	Very low	96 Å²	96	104.3 Å²	104.3	67%	0.671	57%	0.568	S	S	*	*			trans	-69.9	113.1	170.9	-173	0	0	0	0	109.2	K521	S519-K521 PolarHBondContact O-N 3.3Å
520	T	35.1	Very low	38.7	Very low	144 Å²	144	110.6 Å²	110.6	88%	0.883	60%	0.598	S	S	*	*	S	Bend	trans	48.9	8	164.4	46.6	0	0	0	0	119.2	Y518	Y518-T520 PolarHBondContact O-N 2.93Å
521	K	33.1	Very low	36.6	Very low	137 Å²	137	108.7 Å²	108.7	60%	0.596	60%	0.599	S	S	*	*			trans	-132.9	76.3	175.4	-76.2	-167	165.6	-167.3	0	111.5	S519 E530	S519-K521 PolarHBondContact O-N 3.3Å; K521-E530 IonicContact NZ-OE1 3.16Å; K521-E530 PolarHBondContact NZ-OE1 3.34Å; K521-E530 IonicContact NZ-OE2 3.94Å; K521-E530 PolarHBondContact NZ-OE2 2.91Å
522	S	30.8	Very low	34.8	Very low	73 Å²	73	108.7 Å²	108.7	51%	0.51	60%	0.601	S	S	.	*			trans	-159.1	75.4	156.5	-162	0	0	0	0	113.3	V524	S522-V524 PolarHBondContact O-N 2.95Å
523	C	32.2	Very low	34.5	Very low	106 Å²	106	109.9 Å²	109.9	72%	0.716	59%	0.592	S	S	*	*			trans	-85.8	83.5	146.3	-78.3	0	0	0	0	107.9
524	V	35.2	Very low	33.6	Very low	67 Å²	67	116.1 Å²	116.1	41%	0.406	61%	0.61	S	S	.	*			trans	-139.3	87.6	174.2	-168.2	0	0	0	0	112.8	S522 V526	S522-V524 PolarHBondContact O-N 2.95Å; V524-V526 WeakPolarHBondContact CA-O 3.15Å
525	L	30.2	Very low	33.7	Very low	114 Å²	114	114.6 Å²	114.6	60%	0.597	61%	0.611	S	S	*	*	S	Bend	trans	-135.2	-2.1	131.5	-90.4	-160.6	0	0	0	114.1	L482	L482-L525 HydrophobicContact CD1-CD1 4.1Å; L482-L525 HydrophobicContact CD2-CB 4.36Å; L482-L525 HydrophobicContact CD2-CD1 3.61Å; L482-L525 HydrophobicContact CD2-CG 3.96Å
526	V	29.2	Very low	34.4	Very low	99 Å²	99	115.9 Å²	115.9	60%	0.6	61%	0.613	S	S	*	*	S	Bend	trans	-83.1	137.2	138.2	-179	0	0	0	0	106.9	V524 S528	V524-V526 WeakPolarHBondContact CA-O 3.15Å; V526-S528 PolarHBondContact O-N 3.44Å
527	H	28.6	Very low	36.3	Very low	150 Å²	150	110.9 Å²	110.9	69%	0.694	60%	0.598	S	S	*	*			trans	-68.4	101.6	174	-89.3	46.2	0	0	0	109.7	A532	H527-A532 HydrophobicContact CB-CB 4.39Å; H527-A532 WeakPolarHBondContact O-CB 3.5Å
528	S	31.6	Very low	38.8	Very low	49 Å²	49	105.9 Å²	105.9	34%	0.343	56%	0.562	S	S	.	*			trans	-143.5	47.2	178.9	-63.1	0	0	0	0	111.6	V526	V526-S528 PolarHBondContact O-N 3.44Å
529	S	27.2	Very low	41.4	Very low	59 Å²	59	99.6 Å²	99.6	41%	0.413	54%	0.539	S	S	.	.	S	Bend	trans	-58.7	159.9	153.4	61.1	0	0	0	0	109.8	S531 A532 R533	S529-S531 PolarHBondContact O-N 3.39Å; S529-A532 PolarHBondContact O-N 2.83Å; S529-A532 WeakPolarHBondContact OG-CB 3.34Å; S529-A532 PolarHBondContact OG-N 2.91Å; S529-R533 PolarHBondContact O-N 3.35Å
530	E	36.9	Very low	44.6	Very low	137 Å²	137	95 Å²	95	64%	0.64	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-17.9	-179.6	-71.7	155.9	136.4	0	0	112.7	K521	K521-E530 IonicContact NZ-OE1 3.16Å; K521-E530 PolarHBondContact NZ-OE1 3.34Å; K521-E530 IonicContact NZ-OE2 3.94Å; K521-E530 PolarHBondContact NZ-OE2 2.91Å
531	S	31.4	Very low	47.5	Very low	87 Å²	87	88.2 Å²	88.2	61%	0.608	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-33.9	168.9	-47.4	0	0	0	0	113.9	S529	S529-S531 PolarHBondContact O-N 3.39Å
532	A	30.5	Very low	50.4	Low	26 Å²	26	83.1 Å²	83.1	22%	0.215	45%	0.448	C	S	.	.	G	3₁₀ helix	trans	-83.8	-12.6	-175.1	0	0	0	0	0	114	H527 S529 R534	H527-A532 HydrophobicContact CB-CB 4.39Å; H527-A532 WeakPolarHBondContact O-CB 3.5Å; S529-A532 PolarHBondContact O-N 2.83Å; S529-A532 WeakPolarHBondContact OG-CB 3.34Å; S529-A532 PolarHBondContact OG-N 2.91Å; A532-R534 PolarHBondContact O-N 3.5Å
533	R	44.3	Very low	53.5	Low	126 Å²	126	79.8 Å²	79.8	48%	0.475	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-57.3	-12.4	170.3	-77.7	-164.8	179.2	-142.7	2.8	113.9	S529 E616	S529-R533 PolarHBondContact O-N 3.35Å; R533-E616 IonicContact CZ-OE1 2.67Å; R533-E616 IonicContact NH1-OE1 3.73Å; R533-E616 PolarHBondContact NH1-OE1 3.47Å; R533-E616 IonicContact NH1-OE2 3.65Å; R533-E616 IonicContact NH2-OE1 2.65Å
534	R	37.8	Very low	56.5	Low	212 Å²	212	82.1 Å²	82.1	80%	0.8	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-77.5	-21.8	-175	-66.2	179.8	-179.3	160.8	1.8	115.2	A532	A532-R534 PolarHBondContact O-N 3.5Å
535	D	39.7	Very low	59.3	Low	154 Å²	154	79.3 Å²	79.3	82%	0.824	41%	0.405	S	S	*	.	S	Bend	trans	-91.5	-17.5	-177.7	-73.9	-22.5	0	0	0	113.9	T537	D535-T537 PolarHBondContact O-N 2.99Å
536	Q	54.3	Low	62.4	Low	143 Å²	143	76.4 Å²	76.4	67%	0.668	40%	0.395	S	S	*	.	S	Bend	trans	-82.2	107.4	168.9	-75.8	-169.3	-6.2	0	0	109.6	L538	Q536-L538 PolarHBondContact O-N 3.05Å; Q536-L538 VanDerWaalsContact O-N 3.16Å
537	T	72.8	Confident	65.6	Low	76 Å²	76	75.6 Å²	75.6	47%	0.466	39%	0.394	S	S	.	.			trans	-56.1	120.5	173.8	-59.1	0	0	0	0	109.6	D535 M539 R563	D535-T537 PolarHBondContact O-N 2.99Å; T537-M539 HydrophobicContact CG2-CG 4.48Å; T537-M539 HydrophobicContact CG2-SD 3.88Å; T537-M539 PolarHBondContact O-N 3.4Å; T537-R563 HydrophobicContact CG2-CG 4.25Å
538	L	88.1	Confident	68.7	Low	11 Å²	11	71.9 Å²	71.9	6%	0.058	38%	0.382	C	S	.	.			trans	-64	107.9	175.9	172.9	64.5	0	0	0	109.6	Q536 L540 L560 G562 R563 H574 W613	Q536-L538 PolarHBondContact O-N 3.05Å; Q536-L538 VanDerWaalsContact O-N 3.16Å; L538-L540 HydrophobicContact CD1-CD2 3.57Å; L538-L540 HydrophobicContact CD1-CG 4.27Å; L538-L540 HydrophobicContact CD2-CD1 4.26Å; L538-L540 HydrophobicContact CD2-CD2 4.12Å; L538-L540 HydrophobicContact CD2-CG 4.29Å; L538-L540 HydrophobicContact CG-CD1 4.46Å; L538-L540 HydrophobicContact CG-CD2 3.79Å; L538-L540 HydrophobicContact CG-CG 3.97Å; L538-L560 HydrophobicContact CD2-CB 3.53Å; L538-L560 HydrophobicContact CD2-CD1 3.81Å; L538-L560 HydrophobicContact CD2-CG 4.33Å; L538-G562 CarbonylContact O-C 3.6Å; L538-G562 WeakPolarHBondContact O-CA 3.45Å; L538-R563 PolarHBondContact O-N 3.42Å; L538-H574 WeakPolarHBondContact CD1-ND1 3.21Å; L538-W613 HydrophobicContact CD1-CH2 3.73Å; L538-W613 HydrophobicContact CD1-CZ3 3.89Å; L538-W613 HydrophobicContact CD2-CZ3 3.86Å; L538-W613 HydrophobicContact CG-CZ3 4.31Å
539	M	92	Very high	71.8	Confident	26 Å²	26	71.2 Å²	71.2	13%	0.128	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	112.9	177.2	-62.6	-63	-71.2	0	0	109.6	T537 R563 V565 S571 S573 H574	T537-M539 HydrophobicContact CG2-CG 4.48Å; T537-M539 HydrophobicContact CG2-SD 3.88Å; T537-M539 PolarHBondContact O-N 3.4Å; M539-R563 HydrophobicContact SD-CB 3.88Å; M539-R563 HydrophobicContact SD-CG 4.41Å; M539-V565 HydrophobicContact CE-CG1 3.45Å; M539-V565 VanDerWaalsContact CE-CG1 3.45Å; M539-S571 VanDerWaalsContact CB-O 3.23Å; M539-S571 WeakPolarHBondContact CB-O 3.36Å; M539-S571 VanDerWaalsContact CG-O 3.29Å; M539-S571 WeakPolarHBondContact CG-O 3.3Å; M539-S573 PolarHBondContact N-OG 3.31Å; M539-S573 VanDerWaalsContact N-OG 3.08Å; M539-S573 PolarHBondContact O-N 3.11Å; M539-S573 PolarHBondContact O-OG 3.14Å; M539-H574 PolarHBondContact O-N 3.2Å; M539-H574 VanDerWaalsContact O-N 3.14Å
540	L	94.8	Very high	75	Confident	0 Å²	0	72.8 Å²	72.8	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	131.5	-176.3	-56.5	176.1	0	0	0	110.5	L538 L553 R563 I564 V565 H574 W603	L538-L540 HydrophobicContact CD1-CD2 3.57Å; L538-L540 HydrophobicContact CD1-CG 4.27Å; L538-L540 HydrophobicContact CD2-CD1 4.26Å; L538-L540 HydrophobicContact CD2-CD2 4.12Å; L538-L540 HydrophobicContact CD2-CG 4.29Å; L538-L540 HydrophobicContact CG-CD1 4.46Å; L538-L540 HydrophobicContact CG-CD2 3.79Å; L538-L540 HydrophobicContact CG-CG 3.97Å; L540-L553 HydrophobicContact CB-CD1 4.46Å; L540-L553 HydrophobicContact CD1-CD1 3.86Å; L540-L553 HydrophobicContact CD1-CG 4.49Å; L540-R563 PolarHBondContact N-O 3.45Å; L540-I564 HydrophobicContact CB-CG1 4.48Å; L540-I564 CarbonylContact O-C 3.52Å; L540-I564 WeakPolarHBondContact O-CA 3.48Å; L540-V565 WeakPolarHBondContact O-CG2 3.36Å; L540-V565 PolarHBondContact O-N 3.49Å; L540-H574 HydrophobicContact CD2-CB 3.82Å; L540-W603 HydrophobicContact CD2-CZ3 4.39Å
541	L	95.9	Very high	77.8	Confident	1 Å²	1	74.2 Å²	74.2	1%	0.005	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	125.8	173.8	177.5	58.7	0	0	0	110.3	V565 F568 V572 H574 V575 V576	L541-V565 HydrophobicContact CB-CG2 4.14Å; L541-V565 HydrophobicContact CD1-CG2 4.25Å; L541-V565 VanDerWaalsContact CD1-O 3.26Å; L541-V565 WeakPolarHBondContact CD1-O 3.41Å; L541-F568 HydrophobicContact CD2-CB 3.85Å; L541-F568 HydrophobicContact CD2-CD2 3.79Å; L541-F568 HydrophobicContact CD2-CG 4.34Å; L541-V572 HydrophobicContact CB-CG1 3.93Å; L541-V572 HydrophobicContact CB-CG2 4.48Å; L541-V572 HydrophobicContact CD2-CG1 4.48Å; L541-H574 PolarHBondContact N-O 3.18Å; L541-V575 HydrophobicContact CB-CG2 4.38Å; L541-V575 HydrophobicContact CD2-CG2 4.31Å; L541-V575 CarbonylContact O-C 3.54Å; L541-V575 WeakPolarHBondContact O-CA 3.34Å; L541-V576 PolarHBondContact O-N 3.49Å
542	A	95.6	Very high	80.9	Confident	29 Å²	29	73.8 Å²	73.8	24%	0.24	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	132.9	173.9	0	0	0	0	0	110.9	L545 Q550 L553	A542-L545 HydrophobicContact CB-CD1 4.03Å; A542-Q550 HydrophobicContact CB-CG 4.43Å; A542-L553 HydrophobicContact CB-CD2 3.91Å
543	S	95.8	Very high	84	Confident	3 Å²	3	72.6 Å²	72.6	2%	0.021	35%	0.353	C	S	.	.			trans	-129.9	113.7	174	-168.8	0	0	0	0	110.7	L545 V576 P578 T585 T588	S543-L545 PolarHBondContact O-N 2.91Å; S543-V576 PolarHBondContact N-O 2.84Å; S543-P578 WeakPolarHBondContact O-CD 3.27Å; S543-T585 PolarHBondContact OG-OG1 2.79Å; S543-T588 WeakPolarHBondContact CB-OG1 3.41Å; S543-T588 PolarHBondContact OG-OG1 2.88Å
544	K	94.6	Very high	86.4	Confident	156 Å²	156	70 Å²	70	68%	0.678	35%	0.351	S	S	*	.	S	Bend	trans	57.4	10.4	-178.3	-67.4	-74.6	-173.7	173	0	116.9	P578 P583 T585	K544-P578 HydrophobicContact CB-CG 4.37Å; K544-P583 HydrophobicContact CB-CB 4.26Å; K544-P583 HydrophobicContact CB-CG 4.05Å; K544-P583 HydrophobicContact CG-CB 3.98Å; K544-P583 HydrophobicContact CG-CG 4.33Å; K544-T585 HydrophobicContact CD-CG2 4.25Å; K544-T585 HydrophobicContact CG-CG2 3.65Å
545	L	94.1	Very high	89.2	Confident	7 Å²	7	66.9 Å²	66.9	4%	0.037	34%	0.343	C	S	.	.			trans	-62.1	144.3	169.1	-63.7	-179.1	0	0	0	112	A542 S543 E549 Q550 L553 V576 P578 Y601	A542-L545 HydrophobicContact CB-CD1 4.03Å; S543-L545 PolarHBondContact O-N 2.91Å; L545-E549 HydrophobicContact CB-CB 4.1Å; L545-E549 HydrophobicContact CD2-CB 4.29Å; L545-Q550 HydrophobicContact CB-CG 3.88Å; L545-Q550 PolarHBondContact O-NE2 3.33Å; L545-L553 HydrophobicContact CD1-CD2 3.88Å; L545-V576 HydrophobicContact CD1-CB 4.1Å; L545-V576 HydrophobicContact CD1-CG1 3.88Å; L545-V576 HydrophobicContact CD2-CG1 4.41Å; L545-P578 HydrophobicContact CD2-CB 4.42Å; L545-Y601 HydrophobicContact CD2-CD2 4.05Å; L545-Y601 HydrophobicContact CD2-CG 4.3Å
546	S	95.8	Very high	91.8	Very high	54 Å²	54	59.6 Å²	59.6	38%	0.378	30%	0.304	S	S	.	.			trans	-77.6	162.6	174.6	67.1	0	0	0	0	113	P548 E549 Q550	S546-P548 VanDerWaalsContact C-CD 3.5Å; S546-E549 VanDerWaalsContact CB-OE2 3.29Å; S546-E549 WeakPolarHBondContact CB-OE2 3.2Å; S546-E549 PolarHBondContact N-OE2 3.44Å; S546-E549 WeakPolarHBondContact O-CB 3.3Å; S546-E549 PolarHBondContact O-N 3.06Å; S546-E549 VanDerWaalsContact OG-CD 3.26Å; S546-E549 VanDerWaalsContact OG-CG 3.3Å; S546-E549 WeakPolarHBondContact OG-CG 3.23Å; S546-E549 PolarHBondContact OG-OE2 2.99Å; S546-Q550 WeakPolarHBondContact O-CG 3.48Å; S546-Q550 PolarHBondContact O-N 2.62Å
547	S	95.1	Very high	93.6	Very high	82 Å²	82	52.8 Å²	52.8	57%	0.573	27%	0.272	S	S	*	.	H	α-helix	trans	-59.6	-30.5	-176.9	-38.9	0	0	0	0	115.5	R551	S547-R551 WeakPolarHBondContact O-CG 3.28Å; S547-R551 PolarHBondContact O-N 3.13Å; S547-R551 PolarHBondContact O-NE 2.84Å
548	P	95.6	Very high	94.6	Very high	71 Å²	71	54.7 Å²	54.7	46%	0.461	28%	0.283	S	S	.	.	H	α-helix	trans	-66	-44.7	166.6	-23.1	35.1	0	0	0	113.3	S546 R551 Q552	S546-P548 VanDerWaalsContact C-CD 3.5Å; P548-R551 PolarHBondContact O-N 3.2Å; P548-Q552 PolarHBondContact O-N 3.09Å
549	E	96	Very high	94.8	Very high	36 Å²	36	58.1 Å²	58.1	17%	0.168	30%	0.302	C	S	.	.	H	α-helix	trans	-67.8	-42.1	-177.7	-63.7	171.6	121.9	0	0	111.8	L545 S546 R551 Q552 L553 Y601	L545-E549 HydrophobicContact CB-CB 4.1Å; L545-E549 HydrophobicContact CD2-CB 4.29Å; S546-E549 VanDerWaalsContact CB-OE2 3.29Å; S546-E549 WeakPolarHBondContact CB-OE2 3.2Å; S546-E549 PolarHBondContact N-OE2 3.44Å; S546-E549 WeakPolarHBondContact O-CB 3.3Å; S546-E549 PolarHBondContact O-N 3.06Å; S546-E549 VanDerWaalsContact OG-CD 3.26Å; S546-E549 VanDerWaalsContact OG-CG 3.3Å; S546-E549 WeakPolarHBondContact OG-CG 3.23Å; S546-E549 PolarHBondContact OG-OE2 2.99Å; E549-R551 VanDerWaalsContact C-N 3.28Å; E549-R551 PolarHBondContact O-N 2.97Å; E549-Q552 PolarHBondContact O-N 3.33Å; E549-L553 PolarHBondContact O-N 3.42Å; E549-Y601 HydrophobicContact CB-CD2 3.94Å; E549-Y601 HydrophobicContact CB-CE1 4.27Å; E549-Y601 HydrophobicContact CB-CE2 3.51Å; E549-Y601 HydrophobicContact CB-CG 4.47Å; E549-Y601 HydrophobicContact CG-CD1 4.01Å; E549-Y601 HydrophobicContact CG-CD2 4.22Å; E549-Y601 HydrophobicContact CG-CE1 3.67Å; E549-Y601 HydrophobicContact CG-CE2 3.88Å; E549-Y601 HydrophobicContact CG-CG 4.28Å; E549-Y601 WeakPolarHBondContact OE1-CD1 3.29Å
550	Q	94.9	Very high	94.7	Very high	91 Å²	91	58.7 Å²	58.7	43%	0.425	31%	0.305	S	S	.	.	H	α-helix	trans	-58.3	-39.4	173.1	-68	179.2	23.3	0	0	111.7	A542 L545 S546 Q552 L553 V554	A542-Q550 HydrophobicContact CB-CG 4.43Å; L545-Q550 HydrophobicContact CB-CG 3.88Å; L545-Q550 PolarHBondContact O-NE2 3.33Å; S546-Q550 WeakPolarHBondContact O-CG 3.48Å; S546-Q550 PolarHBondContact O-N 2.62Å; Q550-Q552 VanDerWaalsContact C-N 3.32Å; Q550-Q552 PolarHBondContact O-N 2.88Å; Q550-L553 PolarHBondContact O-N 3.33Å; Q550-V554 WeakPolarHBondContact O-CG2 3.45Å; Q550-V554 PolarHBondContact O-N 2.88Å
551	R	95.4	Very high	94.4	Very high	167 Å²	167	61.7 Å²	61.7	63%	0.63	34%	0.336	S	S	*	.	H	α-helix	trans	-67.5	-30.2	175.6	-74.9	-179.9	-67.6	169.2	1.5	112.8	S547 P548 E549 K555	S547-R551 WeakPolarHBondContact O-CG 3.28Å; S547-R551 PolarHBondContact O-N 3.13Å; S547-R551 PolarHBondContact O-NE 2.84Å; P548-R551 PolarHBondContact O-N 3.2Å; E549-R551 VanDerWaalsContact C-N 3.28Å; E549-R551 PolarHBondContact O-N 2.97Å; R551-K555 WeakPolarHBondContact O-CG 3.47Å; R551-K555 PolarHBondContact O-N 3.07Å
552	Q	96.3	Very high	94	Very high	78 Å²	78	62.2 Å²	62.2	36%	0.364	34%	0.342	S	S	.	.	H	α-helix	trans	-75.4	-39.6	171.7	-66.5	-164.4	22.2	0	0	111.7	P548 E549 Q550 V554 K555 L556 Y601 V604 L608	P548-Q552 PolarHBondContact O-N 3.09Å; E549-Q552 PolarHBondContact O-N 3.33Å; Q550-Q552 VanDerWaalsContact C-N 3.32Å; Q550-Q552 PolarHBondContact O-N 2.88Å; Q552-V554 VanDerWaalsContact C-N 3.3Å; Q552-V554 PolarHBondContact O-N 3.47Å; Q552-K555 WeakPolarHBondContact O-CB 3.27Å; Q552-K555 PolarHBondContact O-N 2.89Å; Q552-K555 VanDerWaalsContact O-N 3.16Å; Q552-L556 PolarHBondContact O-N 2.81Å; Q552-Y601 HydrophobicContact CB-CE2 4.39Å; Q552-Y601 VanDerWaalsContact CB-OH 3.26Å; Q552-Y601 WeakPolarHBondContact CB-OH 3.12Å; Q552-Y601 WeakPolarHBondContact CG-OH 3.42Å; Q552-Y601 PolarHBondContact OE1-OH 3.27Å; Q552-V604 HydrophobicContact CB-CG1 4.39Å; Q552-L608 HydrophobicContact CB-CD1 3.79Å; Q552-L608 HydrophobicContact CG-CD1 4.43Å
553	L	95.9	Very high	93.7	Very high	1 Å²	1	68.9 Å²	68.9	1%	0.005	36%	0.36	C	S	.	.	H	α-helix	trans	-59.5	-39.4	172.6	-177	64.5	0	0	0	112.1	L540 A542 L545 E549 Q550 L556 G557 V576 V604	L540-L553 HydrophobicContact CB-CD1 4.46Å; L540-L553 HydrophobicContact CD1-CD1 3.86Å; L540-L553 HydrophobicContact CD1-CG 4.49Å; A542-L553 HydrophobicContact CB-CD2 3.91Å; L545-L553 HydrophobicContact CD1-CD2 3.88Å; E549-L553 PolarHBondContact O-N 3.42Å; Q550-L553 PolarHBondContact O-N 3.33Å; L553-L556 PolarHBondContact O-N 2.93Å; L553-G557 PolarHBondContact O-N 3.35Å; L553-V576 HydrophobicContact CD1-CB 4.33Å; L553-V576 HydrophobicContact CD1-CG2 3.73Å; L553-V576 HydrophobicContact CD2-CB 4.26Å; L553-V576 HydrophobicContact CD2-CG2 4.32Å; L553-V604 HydrophobicContact CD1-CG2 3.88Å
554	V	95.1	Very high	93.6	Very high	73 Å²	73	71.7 Å²	71.7	44%	0.442	38%	0.375	S	S	.	.	H	α-helix	trans	-62.6	-44	174.2	169.9	0	0	0	0	111.7	Q550 Q552 L556 G557 V558 I564	Q550-V554 WeakPolarHBondContact O-CG2 3.45Å; Q550-V554 PolarHBondContact O-N 2.88Å; Q552-V554 VanDerWaalsContact C-N 3.3Å; Q552-V554 PolarHBondContact O-N 3.47Å; V554-L556 VanDerWaalsContact C-N 3.31Å; V554-L556 PolarHBondContact O-N 3.18Å; V554-G557 PolarHBondContact O-N 2.83Å; V554-V558 PolarHBondContact O-N 2.97Å; V554-I564 HydrophobicContact CB-CD1 4.4Å; V554-I564 HydrophobicContact CG2-CD1 4.21Å; V554-I564 HydrophobicContact CG2-CG1 4.18Å
555	K	95.3	Very high	93.5	Very high	146 Å²	146	65.9 Å²	65.9	64%	0.635	35%	0.352	S	S	*	.	H	α-helix	trans	-60	-40.5	173.4	-71.8	178.2	176.9	-169.7	0	112.1	R551 Q552 V558 L559 L608	R551-K555 WeakPolarHBondContact O-CG 3.47Å; R551-K555 PolarHBondContact O-N 3.07Å; Q552-K555 WeakPolarHBondContact O-CB 3.27Å; Q552-K555 PolarHBondContact O-N 2.89Å; Q552-K555 VanDerWaalsContact O-N 3.16Å; K555-V558 PolarHBondContact O-N 2.77Å; K555-L559 WeakPolarHBondContact O-CB 3.3Å; K555-L559 PolarHBondContact O-N 2.85Å; K555-L608 HydrophobicContact CB-CD2 4.25Å
556	L	95	Very high	93.3	Very high	0 Å²	0	72.1 Å²	72.1	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-68.5	-39.2	178.5	-176.9	61.8	0	0	0	112.4	Q552 L553 V554 V558 L559 L560 W603 V604 C607 L608	Q552-L556 PolarHBondContact O-N 2.81Å; L553-L556 PolarHBondContact O-N 2.93Å; V554-L556 VanDerWaalsContact C-N 3.31Å; V554-L556 PolarHBondContact O-N 3.18Å; L556-V558 VanDerWaalsContact C-N 3.33Å; L556-V558 PolarHBondContact O-N 2.89Å; L556-L559 HydrophobicContact CD1-CD2 4.09Å; L556-L559 PolarHBondContact O-N 3.47Å; L556-L560 HydrophobicContact CD1-CD1 3.68Å; L556-L560 HydrophobicContact CD1-CD2 4.38Å; L556-L560 HydrophobicContact CD1-CG 3.73Å; L556-L560 HydrophobicContact CD2-CD1 4.36Å; L556-L560 HydrophobicContact CG-CD1 3.85Å; L556-L560 HydrophobicContact CG-CG 4.2Å; L556-L560 WeakPolarHBondContact O-CG 3.36Å; L556-L560 PolarHBondContact O-N 2.8Å; L556-W603 HydrophobicContact CD2-CE3 4.09Å; L556-W603 HydrophobicContact CD2-CH2 4.34Å; L556-W603 HydrophobicContact CD2-CZ3 3.78Å; L556-V604 HydrophobicContact CB-CG1 4.25Å; L556-V604 HydrophobicContact CD2-CB 4.1Å; L556-V604 HydrophobicContact CD2-CG1 3.86Å; L556-V604 HydrophobicContact CD2-CG2 4.12Å; L556-C607 HydrophobicContact CD1-CB 3.55Å; L556-C607 HydrophobicContact CD2-CB 3.99Å; L556-C607 HydrophobicContact CG-CB 4.46Å; L556-L608 HydrophobicContact CB-CD2 3.97Å; L556-L608 HydrophobicContact CB-CG 4.17Å; L556-L608 HydrophobicContact CD1-CD2 4.15Å; L556-L608 HydrophobicContact CD1-CG 4.27Å
557	G	92.4	Very high	93	Very high	0 Å²	0	73.8 Å²	73.8	0%	0	39%	0.394	C	S	.	.	H	α-helix	trans	-56.3	-48.4	173.3	0	0	0	0	0	111.4	L553 V554 L559 L560 G561 G562	L553-G557 PolarHBondContact O-N 3.35Å; V554-G557 PolarHBondContact O-N 2.83Å; G557-L559 PolarHBondContact O-N 3.1Å; G557-L560 PolarHBondContact O-N 3.02Å; G557-G561 PolarHBondContact O-N 3.41Å; G557-G561 VanDerWaalsContact O-N 3.08Å; G557-G562 CarbonylContact C-O 3.42Å; G557-G562 PolarHBondContact O-N 3.43Å
558	V	92.9	Very high	92.9	Very high	116 Å²	116	71.6 Å²	71.6	70%	0.703	37%	0.374	S	S	*	.	H	α-helix	trans	-59.8	-45.7	174.8	176.9	0	0	0	0	111.8	V554 K555 L556 L560 G561	V554-V558 PolarHBondContact O-N 2.97Å; K555-V558 PolarHBondContact O-N 2.77Å; L556-V558 VanDerWaalsContact C-N 3.33Å; L556-V558 PolarHBondContact O-N 2.89Å; V558-L560 VanDerWaalsContact C-N 3.32Å; V558-L560 PolarHBondContact O-N 2.8Å; V558-G561 PolarHBondContact O-N 3.36Å
559	L	92.3	Very high	92.6	Very high	84 Å²	84	70.6 Å²	70.6	44%	0.44	37%	0.369	S	S	.	.	H	α-helix	trans	-60.7	-36.7	179.6	-179.6	64.4	0	0	0	113.3	K555 L556 G557 L608	K555-L559 WeakPolarHBondContact O-CB 3.3Å; K555-L559 PolarHBondContact O-N 2.85Å; L556-L559 HydrophobicContact CD1-CD2 4.09Å; L556-L559 PolarHBondContact O-N 3.47Å; G557-L559 PolarHBondContact O-N 3.1Å; L559-L608 HydrophobicContact CD2-CD2 4.19Å
560	L	90.6	Very high	91.9	Very high	38 Å²	38	72.7 Å²	72.7	20%	0.199	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	6.1	-177.4	-60	-176.6	0	0	0	113.9	L538 L556 G557 V558 G562 W603 W613	L538-L560 HydrophobicContact CD2-CB 3.53Å; L538-L560 HydrophobicContact CD2-CD1 3.81Å; L538-L560 HydrophobicContact CD2-CG 4.33Å; L556-L560 HydrophobicContact CD1-CD1 3.68Å; L556-L560 HydrophobicContact CD1-CD2 4.38Å; L556-L560 HydrophobicContact CD1-CG 3.73Å; L556-L560 HydrophobicContact CD2-CD1 4.36Å; L556-L560 HydrophobicContact CG-CD1 3.85Å; L556-L560 HydrophobicContact CG-CG 4.2Å; L556-L560 WeakPolarHBondContact O-CG 3.36Å; L556-L560 PolarHBondContact O-N 2.8Å; G557-L560 PolarHBondContact O-N 3.02Å; V558-L560 VanDerWaalsContact C-N 3.32Å; V558-L560 PolarHBondContact O-N 2.8Å; L560-G562 PolarHBondContact O-N 2.81Å; L560-W603 HydrophobicContact CD1-CH2 4.04Å; L560-W603 HydrophobicContact CD1-CZ2 4.45Å; L560-W613 HydrophobicContact CD1-CD2 4.43Å; L560-W613 HydrophobicContact CD1-CE3 3.9Å; L560-W613 HydrophobicContact CD1-CZ3 4.41Å; L560-W613 HydrophobicContact CD2-CB 4.08Å; L560-W613 HydrophobicContact CD2-CE3 4.42Å
561	G	87.4	Confident	91.4	Very high	63 Å²	63	71.8 Å²	71.8	65%	0.649	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.6	17.1	-176	0	0	0	0	0	114.6	G557 V558	G557-G561 PolarHBondContact O-N 3.41Å; G557-G561 VanDerWaalsContact O-N 3.08Å; V558-G561 PolarHBondContact O-N 3.36Å
562	G	88.3	Confident	91.3	Very high	12 Å²	12	64.2 Å²	64.2	12%	0.124	38%	0.376	C	S	.	.			trans	-91.8	167.8	-179.6	0	0	0	0	0	114.9	L538 G557 L560	L538-G562 CarbonylContact O-C 3.6Å; L538-G562 WeakPolarHBondContact O-CA 3.45Å; G557-G562 CarbonylContact C-O 3.42Å; G557-G562 PolarHBondContact O-N 3.43Å; L560-G562 PolarHBondContact O-N 2.81Å
563	R	89.9	Confident	91.1	Very high	168 Å²	168	62 Å²	62	63%	0.634	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.5	143	176.3	-55.6	-178.2	-175.2	-170.3	1.7	109.7	T537 L538 M539 L540	T537-R563 HydrophobicContact CG2-CG 4.25Å; L538-R563 PolarHBondContact O-N 3.42Å; M539-R563 HydrophobicContact SD-CB 3.88Å; M539-R563 HydrophobicContact SD-CG 4.41Å; L540-R563 PolarHBondContact N-O 3.45Å
564	I	92.9	Very high	91	Very high	63 Å²	63	62.3 Å²	62.3	32%	0.323	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	133.7	174.7	-56	81.2	0	0	0	107.4	L540 V554	L540-I564 HydrophobicContact CB-CG1 4.48Å; L540-I564 CarbonylContact O-C 3.52Å; L540-I564 WeakPolarHBondContact O-CA 3.48Å; V554-I564 HydrophobicContact CB-CD1 4.4Å; V554-I564 HydrophobicContact CG2-CD1 4.21Å; V554-I564 HydrophobicContact CG2-CG1 4.18Å
565	V	93	Very high	91.1	Very high	33 Å²	33	58.9 Å²	58.9	20%	0.2	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	154.3	173.1	-71.5	0	0	0	0	111.3	M539 L540 L541 V572	M539-V565 HydrophobicContact CE-CG1 3.45Å; M539-V565 VanDerWaalsContact CE-CG1 3.45Å; L540-V565 WeakPolarHBondContact O-CG2 3.36Å; L540-V565 PolarHBondContact O-N 3.49Å; L541-V565 HydrophobicContact CB-CG2 4.14Å; L541-V565 HydrophobicContact CD1-CG2 4.25Å; L541-V565 VanDerWaalsContact CD1-O 3.26Å; L541-V565 WeakPolarHBondContact CD1-O 3.41Å; V565-V572 HydrophobicContact CG2-CG2 3.87Å
566	D	88.4	Confident	91.2	Very high	138 Å²	138	51.9 Å²	51.9	74%	0.738	32%	0.319	S	S	*	.	S	Bend	trans	-88.6	-26.7	176.3	60.6	-12.3	0	0	0	112.8
567	T	90.3	Very high	91.3	Very high	90 Å²	90	52 Å²	52	55%	0.552	32%	0.319	S	S	*	.	S	Bend	trans	-129.2	146	-167.4	47.2	0	0	0	0	111.4
568	F	92.3	Very high	91.4	Very high	36 Å²	36	53.3 Å²	53.3	16%	0.158	33%	0.328	C	S	.	.			trans	-77.3	132.7	-179.9	-173.8	-89.9	0	0	0	112.1	L541 V572 L590 A594	L541-F568 HydrophobicContact CD2-CB 3.85Å; L541-F568 HydrophobicContact CD2-CD2 3.79Å; L541-F568 HydrophobicContact CD2-CG 4.34Å; F568-V572 HydrophobicContact CD2-CB 3.96Å; F568-V572 HydrophobicContact CD2-CG1 4.1Å; F568-V572 HydrophobicContact CD2-CG2 4.01Å; F568-V572 HydrophobicContact CE2-CB 3.65Å; F568-V572 HydrophobicContact CE2-CG1 3.87Å; F568-V572 HydrophobicContact CE2-CG2 4.19Å; F568-V572 HydrophobicContact CZ-CB 4.41Å; F568-L590 HydrophobicContact CB-CB 4.38Å; F568-L590 HydrophobicContact CB-CD1 4.1Å; F568-L590 HydrophobicContact CD1-CB 3.6Å; F568-L590 HydrophobicContact CD1-CD1 3.9Å; F568-L590 HydrophobicContact CD1-CG 4.29Å; F568-L590 HydrophobicContact CD2-CB 4.27Å; F568-L590 HydrophobicContact CE1-CB 3.93Å; F568-L590 HydrophobicContact CG-CB 3.78Å; F568-L590 HydrophobicContact CG-CD1 4.2Å; F568-L590 HydrophobicContact CZ-CB 4.42Å; F568-A594 HydrophobicContact CE1-CB 4.37Å; F568-A594 HydrophobicContact CZ-CB 3.68Å
569	S	89.4	Confident	91.5	Very high	50 Å²	50	51.5 Å²	51.5	35%	0.35	31%	0.312	S	S	.	.			trans	-143.8	163.6	171.8	63.9	0	0	0	0	110.3	S571 V572	S569-S571 PolarHBondContact O-N 3.07Å; S569-S571 PolarHBondContact OG-OG 3.2Å; S569-V572 WeakPolarHBondContact O-CB 3.47Å; S569-V572 WeakPolarHBondContact O-CG2 3.21Å; S569-V572 PolarHBondContact O-N 2.8Å
570	G	82.1	Confident	91.4	Very high	80 Å²	80	50.4 Å²	50.4	83%	0.825	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-3.5	-176.9	0	0	0	0	0	116
571	S	85.2	Confident	91.4	Very high	71 Å²	71	57.2 Å²	57.2	50%	0.497	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-6.1	170.8	58.8	0	0	0	0	113.7	M539 S569 S573	M539-S571 VanDerWaalsContact CB-O 3.23Å; M539-S571 WeakPolarHBondContact CB-O 3.36Å; M539-S571 VanDerWaalsContact CG-O 3.29Å; M539-S571 WeakPolarHBondContact CG-O 3.3Å; S569-S571 PolarHBondContact O-N 3.07Å; S569-S571 PolarHBondContact OG-OG 3.2Å; S571-S573 PolarHBondContact O-N 2.88Å
572	V	92.3	Very high	91.7	Very high	8 Å²	8	55.2 Å²	55.2	5%	0.048	33%	0.326	C	S	.	.			trans	-62.5	128.7	174.6	173.5	0	0	0	0	109.5	L541 V565 F568 S569 V575 C596	L541-V572 HydrophobicContact CB-CG1 3.93Å; L541-V572 HydrophobicContact CB-CG2 4.48Å; L541-V572 HydrophobicContact CD2-CG1 4.48Å; V565-V572 HydrophobicContact CG2-CG2 3.87Å; F568-V572 HydrophobicContact CD2-CB 3.96Å; F568-V572 HydrophobicContact CD2-CG1 4.1Å; F568-V572 HydrophobicContact CD2-CG2 4.01Å; F568-V572 HydrophobicContact CE2-CB 3.65Å; F568-V572 HydrophobicContact CE2-CG1 3.87Å; F568-V572 HydrophobicContact CE2-CG2 4.19Å; F568-V572 HydrophobicContact CZ-CB 4.41Å; S569-V572 WeakPolarHBondContact O-CB 3.47Å; S569-V572 WeakPolarHBondContact O-CG2 3.21Å; S569-V572 PolarHBondContact O-N 2.8Å; V572-V575 HydrophobicContact CG1-CG2 4.13Å; V572-C596 PolarHBondContact O-SG 2.75Å
573	S	91.1	Very high	91.9	Very high	33 Å²	33	55.9 Å²	55.9	23%	0.231	33%	0.328	C	S	.	.			trans	-102.9	-37.2	-177.5	64.6	0	0	0	0	112.2	M539 S571 W597	M539-S573 PolarHBondContact N-OG 3.31Å; M539-S573 VanDerWaalsContact N-OG 3.08Å; M539-S573 PolarHBondContact O-N 3.11Å; M539-S573 PolarHBondContact O-OG 3.14Å; S571-S573 PolarHBondContact O-N 2.88Å; S573-W597 PolarHBondContact O-N 2.83Å; S573-W597 VanDerWaalsContact O-N 3.08Å
574	H	94.8	Very high	92.1	Very high	7 Å²	7	51.4 Å²	51.4	3%	0.032	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	136.4	-179.2	-57.6	65.1	0	0	0	110.4	L538 M539 L540 L541 W597 W613	L538-H574 WeakPolarHBondContact CD1-ND1 3.21Å; M539-H574 PolarHBondContact O-N 3.2Å; M539-H574 VanDerWaalsContact O-N 3.14Å; L540-H574 HydrophobicContact CD2-CB 3.82Å; L541-H574 PolarHBondContact N-O 3.18Å; H574-W597 CarbonylContact C-O 3.58Å; H574-W597 VanDerWaalsContact CA-O 3.22Å; H574-W597 WeakPolarHBondContact CA-O 3.4Å; H574-W597 HydrophobicContact CB-CB 4.39Å; H574-W597 AromaticContact CD2-CD1 3.78Å; H574-W597 AromaticContact CD2-CG 3.89Å; H574-W597 AromaticContact CE1-CD1 3.74Å; H574-W597 AromaticContact NE2-CD1 3.34Å; H574-W597 VanDerWaalsContact NE2-CD1 3.34Å; H574-W597 AromaticContact NE2-CG 3.88Å; H574-W613 AromaticContact CE1-CH2 3.65Å; H574-W613 AromaticContact CE1-CZ2 3.87Å; H574-W613 AromaticContact NE2-CH2 3.9Å; H574-W613 AromaticContact NE2-CZ2 3.67Å
575	V	96.8	Very high	92.2	Very high	0 Å²	0	50 Å²	50	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	121.6	164.9	-175.3	0	0	0	0	107.9	L541 V572 V577 W597 V598 V599	L541-V575 HydrophobicContact CB-CG2 4.38Å; L541-V575 HydrophobicContact CD2-CG2 4.31Å; L541-V575 CarbonylContact O-C 3.54Å; L541-V575 WeakPolarHBondContact O-CA 3.34Å; V572-V575 HydrophobicContact CG1-CG2 4.13Å; V575-V577 HydrophobicContact CG1-CG1 4.48Å; V575-W597 PolarHBondContact N-O 3.17Å; V575-V598 HydrophobicContact CB-CG1 4.42Å; V575-V598 HydrophobicContact CB-CG2 4.48Å; V575-V598 WeakPolarHBondContact O-CA 3.3Å; V575-V599 PolarHBondContact O-N 2.78Å
576	V	97.1	Very high	92.2	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	123.3	-179.9	-172.2	0	0	0	0	109.8	L541 S543 L545 L553 V599 V604	L541-V576 PolarHBondContact O-N 3.49Å; S543-V576 PolarHBondContact N-O 2.84Å; L545-V576 HydrophobicContact CD1-CB 4.1Å; L545-V576 HydrophobicContact CD1-CG1 3.88Å; L545-V576 HydrophobicContact CD2-CG1 4.41Å; L553-V576 HydrophobicContact CD1-CB 4.33Å; L553-V576 HydrophobicContact CD1-CG2 3.73Å; L553-V576 HydrophobicContact CD2-CB 4.26Å; L553-V576 HydrophobicContact CD2-CG2 4.32Å; V576-V599 WeakPolarHBondContact CA-O 3.48Å; V576-V599 HydrophobicContact CG2-CG2 4.09Å; V576-V604 HydrophobicContact CG1-CG2 3.65Å; V576-V604 HydrophobicContact CG2-CG2 4.42Å
577	V	97.1	Very high	92.4	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.006	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	155.5	-178.8	-64.5	0	0	0	0	111.2	V575 M582 P583 T588 V598 V599 K600 Y601 A621	V575-V577 HydrophobicContact CG1-CG1 4.48Å; V577-M582 HydrophobicContact CG1-CG 4.46Å; V577-P583 HydrophobicContact CB-CG 4.46Å; V577-T588 HydrophobicContact CG1-CG2 4.12Å; V577-V598 HydrophobicContact CG1-CG1 3.85Å; V577-V598 HydrophobicContact CG2-CG1 4.28Å; V577-V599 WeakPolarHBondContact CG2-O 3.39Å; V577-V599 PolarHBondContact N-O 2.86Å; V577-K600 CarbonylContact O-C 3.41Å; V577-Y601 PolarHBondContact O-N 2.64Å; V577-A621 HydrophobicContact CG2-CB 3.78Å
578	P	96.2	Very high	92.7	Very high	29 Å²	29	42.5 Å²	42.5	19%	0.188	27%	0.267	C	S	.	.			trans	-60.7	168.6	170.7	26.9	-36.9	0	0	0	112.2	S543 K544 L545 P583	S543-P578 WeakPolarHBondContact O-CD 3.27Å; K544-P578 HydrophobicContact CB-CG 4.37Å; L545-P578 HydrophobicContact CD2-CB 4.42Å; P578-P583 HydrophobicContact CG-CG 3.88Å
579	E	94.2	Very high	92.9	Very high	77 Å²	77	40.9 Å²	40.9	36%	0.36	26%	0.26	S	S	.	.	S	Bend	trans	-66.9	155.2	173.1	-48	-74.5	-161.6	0	0	111.2	K600 S602 K605	E579-K600 WeakPolarHBondContact OE2-CB 3.27Å; E579-S602 VanDerWaalsContact OE1-CA 3.29Å; E579-S602 WeakPolarHBondContact OE1-CA 3.34Å; E579-S602 WeakPolarHBondContact OE1-CB 3.27Å; E579-S602 PolarHBondContact OE1-N 3.13Å; E579-S602 PolarHBondContact OE1-OG 3.48Å; E579-S602 WeakPolarHBondContact OE2-CB 3.41Å; E579-S602 PolarHBondContact OE2-N 3.15Å; E579-S602 PolarHBondContact OE2-OG 3.46Å; E579-K605 VanDerWaalsContact OE1-CE 3.26Å; E579-K605 WeakPolarHBondContact OE1-CE 3.4Å; E579-K605 IonicContact OE1-NZ 3.12Å; E579-K605 PolarHBondContact OE1-NZ 3.03Å
580	G	90.6	Very high	93.2	Very high	61 Å²	61	38.7 Å²	38.7	63%	0.629	24%	0.244	S	C	*	.	S	Bend	trans	97.6	-139.9	-179.3	0	0	0	0	0	113
581	Q	90.2	Very high	93.7	Very high	182 Å²	182	34.9 Å²	34.9	85%	0.85	21%	0.205	S	C	*	.	S	Bend	trans	-75.7	133.3	-179.6	-171.7	177.1	10.2	0	0	111	P583	Q581-P583 WeakPolarHBondContact O-CD 3.23Å
582	M	93	Very high	94.2	Very high	21 Å²	21	31.5 Å²	31.5	10%	0.103	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-58.3	123.1	178.3	-175.3	-166.3	67.9	0	0	111.4	V577 T584 T588 L592 V598 A621 P625 A736	V577-M582 HydrophobicContact CG1-CG 4.46Å; M582-T584 PolarHBondContact O-N 3.16Å; M582-T588 HydrophobicContact CE-CG2 4.41Å; M582-T588 HydrophobicContact CG-CG2 3.79Å; M582-T588 HydrophobicContact SD-CG2 3.73Å; M582-L592 HydrophobicContact CE-CD1 3.69Å; M582-L592 HydrophobicContact SD-CD1 3.95Å; M582-V598 HydrophobicContact CG-CG1 4.25Å; M582-V598 HydrophobicContact SD-CG1 4.04Å; M582-A621 HydrophobicContact CB-CB 4.24Å; M582-A621 HydrophobicContact CG-CB 4.1Å; M582-A621 HydrophobicContact SD-CB 4.42Å; M582-P625 HydrophobicContact SD-CG 3.59Å; M582-P625 VanDerWaalsContact SD-CG 3.59Å; M582-A736 HydrophobicContact CE-CB 3.99Å
583	P	93.5	Very high	94.4	Very high	25 Å²	25	32 Å²	32	16%	0.162	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-68.7	123.1	178.4	-20.1	32.6	0	0	0	112.3	K544 V577 P578 Q581 T585 T588	K544-P583 HydrophobicContact CB-CB 4.26Å; K544-P583 HydrophobicContact CB-CG 4.05Å; K544-P583 HydrophobicContact CG-CB 3.98Å; K544-P583 HydrophobicContact CG-CG 4.33Å; V577-P583 HydrophobicContact CB-CG 4.46Å; P578-P583 HydrophobicContact CG-CG 3.88Å; Q581-P583 WeakPolarHBondContact O-CD 3.23Å; P583-T585 HydrophobicContact CB-CG2 4.26Å; P583-T585 PolarHBondContact O-N 2.67Å; P583-T588 WeakPolarHBondContact O-CB 3.48Å; P583-T588 WeakPolarHBondContact O-CG2 3.28Å; P583-T588 PolarHBondContact O-OG1 2.78Å
584	T	94.2	Very high	94.4	Very high	74 Å²	74	31.6 Å²	31.6	45%	0.454	18%	0.183	S	C	.	.			trans	-76	38.6	176.9	50.7	0	0	0	0	113.5	M582 L589 I732 A736	M582-T584 PolarHBondContact O-N 3.16Å; T584-L589 HydrophobicContact CG2-CD2 4.45Å; T584-L589 WeakPolarHBondContact O-CD1 3.07Å; T584-I732 HydrophobicContact CG2-CG2 3.92Å; T584-A736 HydrophobicContact CG2-CB 3.95Å
585	T	94.3	Very high	94.2	Very high	33 Å²	33	31.8 Å²	31.8	20%	0.202	19%	0.186	C	C	.	.			trans	-71.2	152.7	173.6	61	0	0	0	0	111	S543 K544 P583 S587 T588 L589	S543-T585 PolarHBondContact OG-OG1 2.79Å; K544-T585 HydrophobicContact CD-CG2 4.25Å; K544-T585 HydrophobicContact CG-CG2 3.65Å; P583-T585 HydrophobicContact CB-CG2 4.26Å; P583-T585 PolarHBondContact O-N 2.67Å; T585-S587 PolarHBondContact O-N 3.2Å; T585-S587 VanDerWaalsContact O-N 3.15Å; T585-S587 PolarHBondContact OG1-OG 2.77Å; T585-T588 PolarHBondContact O-N 2.75Å; T585-T588 PolarHBondContact OG1-N 3.37Å; T585-T588 PolarHBondContact OG1-OG1 3.46Å; T585-L589 VanDerWaalsContact O-CG 3.3Å; T585-L589 WeakPolarHBondContact O-CG 3.24Å; T585-L589 PolarHBondContact O-N 3.09Å
586	Y	93.6	Very high	94	Very high	72 Å²	72	32.2 Å²	32.2	28%	0.282	19%	0.189	S	C	.	.	H	α-helix	trans	-51.4	-38	177.6	176.5	-117.4	0	0	0	113.6	L590 E658 K661 L662	Y586-L590 HydrophobicContact CD1-CD1 4.14Å; Y586-L590 HydrophobicContact CD2-CD1 4.3Å; Y586-L590 HydrophobicContact CD2-CG 4.38Å; Y586-L590 HydrophobicContact CE1-CD1 3.72Å; Y586-L590 HydrophobicContact CE2-CD1 3.89Å; Y586-L590 HydrophobicContact CE2-CD2 4.44Å; Y586-L590 HydrophobicContact CE2-CG 4.12Å; Y586-L590 HydrophobicContact CG-CD1 4.43Å; Y586-L590 WeakPolarHBondContact O-CB 3.29Å; Y586-L590 VanDerWaalsContact O-CG 3.28Å; Y586-L590 WeakPolarHBondContact O-CG 3.41Å; Y586-L590 PolarHBondContact O-N 3.38Å; Y586-E658 HydrophobicContact CD1-CG 4.24Å; Y586-E658 HydrophobicContact CD2-CB 3.73Å; Y586-E658 HydrophobicContact CD2-CG 3.97Å; Y586-E658 HydrophobicContact CE1-CG 4.23Å; Y586-E658 HydrophobicContact CE2-CB 3.7Å; Y586-E658 HydrophobicContact CE2-CG 3.97Å; Y586-E658 HydrophobicContact CG-CB 4.32Å; Y586-E658 HydrophobicContact CG-CG 4.09Å; Y586-K661 WeakPolarHBondContact OH-CD 3.33Å; Y586-K661 WeakPolarHBondContact OH-CE 3.34Å; Y586-L662 HydrophobicContact CD2-CD1 4.17Å; Y586-L662 HydrophobicContact CD2-CD2 3.91Å; Y586-L662 HydrophobicContact CD2-CG 3.86Å; Y586-L662 HydrophobicContact CE2-CD2 4.11Å; Y586-L662 HydrophobicContact CE2-CG 3.95Å
587	S	93.1	Very high	93.9	Very high	32 Å²	32	34.6 Å²	34.6	22%	0.224	20%	0.198	C	C	.	.	H	α-helix	trans	-69	-41.7	175.2	46	0	0	0	0	113.8	T585 G591	T585-S587 PolarHBondContact O-N 3.2Å; T585-S587 VanDerWaalsContact O-N 3.15Å; T585-S587 PolarHBondContact OG1-OG 2.77Å; S587-G591 PolarHBondContact O-N 3.24Å; S587-G591 VanDerWaalsContact O-N 3.08Å
588	T	95.6	Very high	93.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-64.8	-45.2	174.3	-49.5	0	0	0	0	110.9	S543 V577 M582 P583 T585 L590 G591 L592 V598	S543-T588 WeakPolarHBondContact CB-OG1 3.41Å; S543-T588 PolarHBondContact OG-OG1 2.88Å; V577-T588 HydrophobicContact CG1-CG2 4.12Å; M582-T588 HydrophobicContact CE-CG2 4.41Å; M582-T588 HydrophobicContact CG-CG2 3.79Å; M582-T588 HydrophobicContact SD-CG2 3.73Å; P583-T588 WeakPolarHBondContact O-CB 3.48Å; P583-T588 WeakPolarHBondContact O-CG2 3.28Å; P583-T588 PolarHBondContact O-OG1 2.78Å; T585-T588 PolarHBondContact O-N 2.75Å; T585-T588 PolarHBondContact OG1-N 3.37Å; T585-T588 PolarHBondContact OG1-OG1 3.46Å; T588-L590 VanDerWaalsContact C-N 3.33Å; T588-L590 PolarHBondContact O-N 3.26Å; T588-G591 PolarHBondContact O-N 2.84Å; T588-L592 WeakPolarHBondContact O-CB 3.25Å; T588-L592 PolarHBondContact O-N 2.82Å; T588-V598 HydrophobicContact CG2-CG1 3.85Å
589	L	96.4	Very high	93.9	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.01	19%	0.189	C	C	.	.	H	α-helix	trans	-64.7	-36.2	-178.7	-63.7	171.7	0	0	0	112	T584 T585 L593 L662 I732 I735 A736	T584-L589 HydrophobicContact CG2-CD2 4.45Å; T584-L589 WeakPolarHBondContact O-CD1 3.07Å; T585-L589 VanDerWaalsContact O-CG 3.3Å; T585-L589 WeakPolarHBondContact O-CG 3.24Å; T585-L589 PolarHBondContact O-N 3.09Å; L589-L593 WeakPolarHBondContact O-CB 3.49Å; L589-L593 WeakPolarHBondContact O-CG 3.42Å; L589-L593 PolarHBondContact O-N 2.76Å; L589-L662 HydrophobicContact CB-CD1 4.42Å; L589-L662 HydrophobicContact CB-CD2 3.7Å; L589-L662 HydrophobicContact CD1-CD1 3.95Å; L589-I732 HydrophobicContact CD1-CD1 3.74Å; L589-I732 HydrophobicContact CD1-CG2 4Å; L589-I732 HydrophobicContact CD2-CG2 4.42Å; L589-I735 HydrophobicContact CB-CG2 3.99Å; L589-I735 HydrophobicContact CD2-CB 4.05Å; L589-I735 HydrophobicContact CD2-CG2 3.63Å; L589-I735 HydrophobicContact CG-CG2 4.37Å; L589-A736 HydrophobicContact CD2-CB 4.48Å
590	L	95.4	Very high	94	Very high	5 Å²	5	32.5 Å²	32.5	3%	0.026	19%	0.185	C	C	.	.	H	α-helix	trans	-66.1	-45.2	171.3	-77	174.3	0	0	0	112.5	F568 Y586 T588 L592 L593 A594 K661 L662 E665	F568-L590 HydrophobicContact CB-CB 4.38Å; F568-L590 HydrophobicContact CB-CD1 4.1Å; F568-L590 HydrophobicContact CD1-CB 3.6Å; F568-L590 HydrophobicContact CD1-CD1 3.9Å; F568-L590 HydrophobicContact CD1-CG 4.29Å; F568-L590 HydrophobicContact CD2-CB 4.27Å; F568-L590 HydrophobicContact CE1-CB 3.93Å; F568-L590 HydrophobicContact CG-CB 3.78Å; F568-L590 HydrophobicContact CG-CD1 4.2Å; F568-L590 HydrophobicContact CZ-CB 4.42Å; Y586-L590 HydrophobicContact CD1-CD1 4.14Å; Y586-L590 HydrophobicContact CD2-CD1 4.3Å; Y586-L590 HydrophobicContact CD2-CG 4.38Å; Y586-L590 HydrophobicContact CE1-CD1 3.72Å; Y586-L590 HydrophobicContact CE2-CD1 3.89Å; Y586-L590 HydrophobicContact CE2-CD2 4.44Å; Y586-L590 HydrophobicContact CE2-CG 4.12Å; Y586-L590 HydrophobicContact CG-CD1 4.43Å; Y586-L590 WeakPolarHBondContact O-CB 3.29Å; Y586-L590 VanDerWaalsContact O-CG 3.28Å; Y586-L590 WeakPolarHBondContact O-CG 3.41Å; Y586-L590 PolarHBondContact O-N 3.38Å; T588-L590 VanDerWaalsContact C-N 3.33Å; T588-L590 PolarHBondContact O-N 3.26Å; L590-L592 VanDerWaalsContact C-N 3.32Å; L590-L592 PolarHBondContact O-N 3.34Å; L590-L593 PolarHBondContact O-N 2.61Å; L590-A594 VanDerWaalsContact O-CB 3.26Å; L590-A594 WeakPolarHBondContact O-CB 3.29Å; L590-A594 PolarHBondContact O-N 2.84Å; L590-K661 HydrophobicContact CD2-CG 4.39Å; L590-L662 HydrophobicContact CD2-CD2 3.95Å; L590-L662 HydrophobicContact CG-CD2 3.95Å; L590-E665 HydrophobicContact CD2-CB 4.1Å; L590-E665 HydrophobicContact CD2-CG 3.73Å
591	G	94	Very high	94.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-63.7	-38.2	176.4	0	0	0	0	0	112.9	S587 T588 A594 G595 C596	S587-G591 PolarHBondContact O-N 3.24Å; S587-G591 VanDerWaalsContact O-N 3.08Å; T588-G591 PolarHBondContact O-N 2.84Å; G591-A594 PolarHBondContact O-N 3.27Å; G591-G595 PolarHBondContact O-N 3.36Å; G591-C596 VanDerWaalsContact O-CB 3.27Å; G591-C596 WeakPolarHBondContact O-CB 3.24Å; G591-C596 PolarHBondContact O-N 2.88Å; G591-C596 PolarHBondContact O-SG 3.11Å
592	L	95.3	Very high	94.6	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-62.4	-53.8	172.9	-167.9	166.4	0	0	0	110.2	M582 T588 L590 A594 G595 V598 P625 S628 I735 F738	M582-L592 HydrophobicContact CE-CD1 3.69Å; M582-L592 HydrophobicContact SD-CD1 3.95Å; T588-L592 WeakPolarHBondContact O-CB 3.25Å; T588-L592 PolarHBondContact O-N 2.82Å; L590-L592 VanDerWaalsContact C-N 3.32Å; L590-L592 PolarHBondContact O-N 3.34Å; L592-A594 PolarHBondContact O-N 2.99Å; L592-G595 PolarHBondContact O-N 2.83Å; L592-V598 HydrophobicContact CB-CG2 4.34Å; L592-P625 HydrophobicContact CD1-CG 4.04Å; L592-P625 HydrophobicContact CG-CG 4.36Å; L592-S628 VanDerWaalsContact O-CB 3.29Å; L592-S628 WeakPolarHBondContact O-CB 3.16Å; L592-S628 PolarHBondContact O-OG 3.28Å; L592-I735 WeakPolarHBondContact CD1-O 3.3Å; L592-I735 HydrophobicContact CD2-CG2 4.2Å; L592-I735 WeakPolarHBondContact CD2-O 3.33Å; L592-F738 HydrophobicContact CD2-CB 4.08Å; L592-F738 HydrophobicContact CD2-CD2 3.69Å; L592-F738 HydrophobicContact CD2-CG 4.33Å
593	L	95.3	Very high	94.8	Very high	17 Å²	17	21.9 Å²	21.9	9%	0.089	12%	0.121	C	C	.	.	H	α-helix	trans	-58.9	-34.2	177.3	-76.7	174.3	0	0	0	113.3	L589 L590 G595 L639 L662 I735 F738	L589-L593 WeakPolarHBondContact O-CB 3.49Å; L589-L593 WeakPolarHBondContact O-CG 3.42Å; L589-L593 PolarHBondContact O-N 2.76Å; L590-L593 PolarHBondContact O-N 2.61Å; L593-G595 PolarHBondContact O-N 2.81Å; L593-L639 HydrophobicContact CD2-CB 4.1Å; L593-L639 HydrophobicContact CD2-CD2 4.07Å; L593-L662 HydrophobicContact CD1-CB 4.42Å; L593-L662 HydrophobicContact CD1-CD2 4.15Å; L593-L662 WeakPolarHBondContact CD1-O 3.3Å; L593-I735 HydrophobicContact CD1-CD1 4.01Å; L593-I735 HydrophobicContact CD1-CG1 4.22Å; L593-I735 HydrophobicContact CD1-CG2 4.21Å; L593-I735 HydrophobicContact CD2-CG1 4.14Å; L593-I735 HydrophobicContact CD2-CG2 4.05Å; L593-I735 HydrophobicContact CG-CG1 4.34Å; L593-I735 HydrophobicContact CG-CG2 3.74Å; L593-F738 HydrophobicContact CD2-CE2 4.47Å
594	A	91.6	Very high	94.9	Very high	26 Å²	26	20.7 Å²	20.7	22%	0.215	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-3.5	174.6	0	0	0	0	0	113.8	F568 L590 G591 L592 C596 R632	F568-A594 HydrophobicContact CE1-CB 4.37Å; F568-A594 HydrophobicContact CZ-CB 3.68Å; L590-A594 VanDerWaalsContact O-CB 3.26Å; L590-A594 WeakPolarHBondContact O-CB 3.29Å; L590-A594 PolarHBondContact O-N 2.84Å; G591-A594 PolarHBondContact O-N 3.27Å; L592-A594 PolarHBondContact O-N 2.99Å; A594-C596 VanDerWaalsContact C-N 3.29Å; A594-C596 PolarHBondContact O-N 3.48Å; A594-R632 WeakPolarHBondContact O-CD 3.4Å; A594-R632 PolarHBondContact O-NH1 3.37Å
595	G	91	Very high	95	Very high	10 Å²	10	20.7 Å²	20.7	10%	0.103	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.1	27.9	-178.3	0	0	0	0	0	113.8	G591 L592 L593	G591-G595 PolarHBondContact O-N 3.36Å; L592-G595 PolarHBondContact O-N 2.83Å; L593-G595 PolarHBondContact O-N 2.81Å
596	C	93.1	Very high	95.1	Very high	10 Å²	10	20 Å²	20	7%	0.068	11%	0.105	C	C	.	.			trans	-68.1	157.9	170	-55.9	0	0	0	0	110.4	V572 G591 A594 V598	V572-C596 PolarHBondContact O-SG 2.75Å; G591-C596 VanDerWaalsContact O-CB 3.27Å; G591-C596 WeakPolarHBondContact O-CB 3.24Å; G591-C596 PolarHBondContact O-N 2.88Å; G591-C596 PolarHBondContact O-SG 3.11Å; A594-C596 VanDerWaalsContact C-N 3.29Å; A594-C596 PolarHBondContact O-N 3.48Å; C596-V598 PolarHBondContact O-N 3.26Å
597	W	94	Very high	95.2	Very high	49 Å²	49	16.6 Å²	16.6	19%	0.186	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	115.6	165.6	-75.2	116.5	0	0	0	109.6	S573 H574 V575 V599 E616 A617 R629	S573-W597 PolarHBondContact O-N 2.83Å; S573-W597 VanDerWaalsContact O-N 3.08Å; H574-W597 CarbonylContact C-O 3.58Å; H574-W597 VanDerWaalsContact CA-O 3.22Å; H574-W597 WeakPolarHBondContact CA-O 3.4Å; H574-W597 HydrophobicContact CB-CB 4.39Å; H574-W597 AromaticContact CD2-CD1 3.78Å; H574-W597 AromaticContact CD2-CG 3.89Å; H574-W597 AromaticContact CE1-CD1 3.74Å; H574-W597 AromaticContact NE2-CD1 3.34Å; H574-W597 VanDerWaalsContact NE2-CD1 3.34Å; H574-W597 AromaticContact NE2-CG 3.88Å; V575-W597 PolarHBondContact N-O 3.17Å; W597-V599 HydrophobicContact CB-CG1 4.24Å; W597-E616 HydrophobicContact CD2-CB 3.5Å; W597-E616 HydrophobicContact CD2-CG 3.95Å; W597-E616 HydrophobicContact CE3-CB 3.54Å; W597-E616 HydrophobicContact CE3-CG 4.49Å; W597-E616 HydrophobicContact CG-CB 4.15Å; W597-E616 HydrophobicContact CG-CG 4.21Å; W597-E616 HydrophobicContact CH2-CB 3.73Å; W597-E616 HydrophobicContact CZ2-CB 3.68Å; W597-E616 HydrophobicContact CZ2-CG 4.08Å; W597-E616 HydrophobicContact CZ3-CB 3.64Å; W597-E616 PolarHBondContact NE1-OE1 3.48Å; W597-E616 VanDerWaalsContact NE1-OE1 3.14Å; W597-A617 HydrophobicContact CH2-CB 4.16Å; W597-A617 HydrophobicContact CZ3-CB 4.21Å; W597-R629 VanDerWaalsContact CD2-CD 3.49Å; W597-R629 VanDerWaalsContact CE3-NE 3.31Å; W597-R629 VanDerWaalsContact CH2-CZ 3.42Å
598	V	96.2	Very high	95.4	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	107.5	167.3	-168.9	0	0	0	0	107.3	V575 V577 M582 T588 L592 C596 A621 P625	V575-V598 HydrophobicContact CB-CG1 4.42Å; V575-V598 HydrophobicContact CB-CG2 4.48Å; V575-V598 WeakPolarHBondContact O-CA 3.3Å; V577-V598 HydrophobicContact CG1-CG1 3.85Å; V577-V598 HydrophobicContact CG2-CG1 4.28Å; M582-V598 HydrophobicContact CG-CG1 4.25Å; M582-V598 HydrophobicContact SD-CG1 4.04Å; T588-V598 HydrophobicContact CG2-CG1 3.85Å; L592-V598 HydrophobicContact CB-CG2 4.34Å; C596-V598 PolarHBondContact O-N 3.26Å; V598-A621 HydrophobicContact CB-CB 4.16Å; V598-A621 HydrophobicContact CG1-CB 3.75Å; V598-A621 VanDerWaalsContact O-CB 3.29Å; V598-A621 WeakPolarHBondContact O-CB 3.42Å; V598-A621 PolarHBondContact O-N 3.27Å; V598-P625 HydrophobicContact CB-CB 3.76Å; V598-P625 HydrophobicContact CB-CG 3.71Å; V598-P625 HydrophobicContact CG1-CG 4.34Å; V598-P625 HydrophobicContact CG2-CB 3.98Å; V598-P625 HydrophobicContact CG2-CG 4Å
599	V	96.4	Very high	95.5	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	143.6	-171.5	-68	0	0	0	0	112	V575 V576 V577 W597 W603 E616 H619	V575-V599 PolarHBondContact O-N 2.78Å; V576-V599 WeakPolarHBondContact CA-O 3.48Å; V576-V599 HydrophobicContact CG2-CG2 4.09Å; V577-V599 WeakPolarHBondContact CG2-O 3.39Å; V577-V599 PolarHBondContact N-O 2.86Å; W597-V599 HydrophobicContact CB-CG1 4.24Å; V599-W603 HydrophobicContact CB-CB 4.3Å; V599-W603 HydrophobicContact CG2-CB 4.41Å; V599-W603 HydrophobicContact CG2-CD2 4.25Å; V599-W603 HydrophobicContact CG2-CE3 3.98Å; V599-W603 HydrophobicContact CG2-CG 4.46Å; V599-E616 HydrophobicContact CG1-CB 4.34Å; V599-H619 WeakPolarHBondContact CA-O 3.14Å
600	K	96.9	Very high	95.4	Very high	63 Å²	63	27.4 Å²	27.4	27%	0.274	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	153.5	175.8	-63	167	-173.7	154.4	0	110.8	V577 E579 S602 W603 H619 E620 A621	V577-K600 CarbonylContact O-C 3.41Å; E579-K600 WeakPolarHBondContact OE2-CB 3.27Å; K600-S602 WeakPolarHBondContact CB-OG 3.32Å; K600-S602 PolarHBondContact O-N 3.04Å; K600-W603 WeakPolarHBondContact O-CB 3.48Å; K600-W603 PolarHBondContact O-N 3.31Å; K600-H619 PolarHBondContact N-O 2.79Å; K600-E620 WeakPolarHBondContact CE-O 3.34Å; K600-E620 PolarHBondContact NZ-O 3.19Å; K600-A621 HydrophobicContact CG-CB 4.49Å
601	Y	97.1	Very high	95.3	Very high	13 Å²	13	29.5 Å²	29.5	5%	0.051	17%	0.17	C	C	.	.	H	α-helix	trans	-58.5	-18.8	177.4	-177.2	-109.3	0	0	0	113.9	L545 E549 Q552 V577 W603 V604 K605	L545-Y601 HydrophobicContact CD2-CD2 4.05Å; L545-Y601 HydrophobicContact CD2-CG 4.3Å; E549-Y601 HydrophobicContact CB-CD2 3.94Å; E549-Y601 HydrophobicContact CB-CE1 4.27Å; E549-Y601 HydrophobicContact CB-CE2 3.51Å; E549-Y601 HydrophobicContact CB-CG 4.47Å; E549-Y601 HydrophobicContact CG-CD1 4.01Å; E549-Y601 HydrophobicContact CG-CD2 4.22Å; E549-Y601 HydrophobicContact CG-CE1 3.67Å; E549-Y601 HydrophobicContact CG-CE2 3.88Å; E549-Y601 HydrophobicContact CG-CG 4.28Å; E549-Y601 WeakPolarHBondContact OE1-CD1 3.29Å; Q552-Y601 HydrophobicContact CB-CE2 4.39Å; Q552-Y601 VanDerWaalsContact CB-OH 3.26Å; Q552-Y601 WeakPolarHBondContact CB-OH 3.12Å; Q552-Y601 WeakPolarHBondContact CG-OH 3.42Å; Q552-Y601 PolarHBondContact OE1-OH 3.27Å; V577-Y601 PolarHBondContact O-N 2.64Å; Y601-W603 VanDerWaalsContact C-N 3.25Å; Y601-W603 PolarHBondContact O-N 3.24Å; Y601-V604 HydrophobicContact CD2-CB 3.86Å; Y601-V604 HydrophobicContact CD2-CG1 4.3Å; Y601-V604 HydrophobicContact CD2-CG2 4.03Å; Y601-V604 HydrophobicContact CE2-CB 3.87Å; Y601-V604 HydrophobicContact CE2-CG1 3.83Å; Y601-V604 HydrophobicContact CE2-CG2 4.38Å; Y601-V604 WeakPolarHBondContact O-CB 3.33Å; Y601-V604 PolarHBondContact O-N 3.27Å; Y601-K605 HydrophobicContact CD1-CD 3.96Å; Y601-K605 HydrophobicContact CD1-CG 4.14Å; Y601-K605 HydrophobicContact CE1-CD 3.62Å; Y601-K605 HydrophobicContact CE1-CG 3.61Å; Y601-K605 PolarHBondContact O-N 3.34Å
602	S	96.6	Very high	95.2	Very high	28 Å²	28	35.6 Å²	35.6	20%	0.196	20%	0.196	C	C	.	.	H	α-helix	trans	-55.1	-35.9	168.6	30.4	0	0	0	0	113.5	E579 K600 V604 K605 A606 H619	E579-S602 VanDerWaalsContact OE1-CA 3.29Å; E579-S602 WeakPolarHBondContact OE1-CA 3.34Å; E579-S602 WeakPolarHBondContact OE1-CB 3.27Å; E579-S602 PolarHBondContact OE1-N 3.13Å; E579-S602 PolarHBondContact OE1-OG 3.48Å; E579-S602 WeakPolarHBondContact OE2-CB 3.41Å; E579-S602 PolarHBondContact OE2-N 3.15Å; E579-S602 PolarHBondContact OE2-OG 3.46Å; K600-S602 WeakPolarHBondContact CB-OG 3.32Å; K600-S602 PolarHBondContact O-N 3.04Å; S602-V604 VanDerWaalsContact C-N 3.31Å; S602-V604 PolarHBondContact O-N 3.25Å; S602-K605 PolarHBondContact O-N 3.46Å; S602-A606 WeakPolarHBondContact O-CB 3.5Å; S602-A606 PolarHBondContact O-N 2.83Å; S602-H619 WeakPolarHBondContact CB-ND1 3.21Å; S602-H619 PolarHBondContact OG-ND1 3.16Å
603	W	96.7	Very high	95	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-60.6	-40.8	173.1	-176.6	72.7	0	0	0	112	L540 L556 L560 V599 K600 Y601 A606 C607 W613 L614 H619	L540-W603 HydrophobicContact CD2-CZ3 4.39Å; L556-W603 HydrophobicContact CD2-CE3 4.09Å; L556-W603 HydrophobicContact CD2-CH2 4.34Å; L556-W603 HydrophobicContact CD2-CZ3 3.78Å; L560-W603 HydrophobicContact CD1-CH2 4.04Å; L560-W603 HydrophobicContact CD1-CZ2 4.45Å; V599-W603 HydrophobicContact CB-CB 4.3Å; V599-W603 HydrophobicContact CG2-CB 4.41Å; V599-W603 HydrophobicContact CG2-CD2 4.25Å; V599-W603 HydrophobicContact CG2-CE3 3.98Å; V599-W603 HydrophobicContact CG2-CG 4.46Å; K600-W603 WeakPolarHBondContact O-CB 3.48Å; K600-W603 PolarHBondContact O-N 3.31Å; Y601-W603 VanDerWaalsContact C-N 3.25Å; Y601-W603 PolarHBondContact O-N 3.24Å; W603-A606 PolarHBondContact O-N 3.15Å; W603-C607 VanDerWaalsContact CE2-SG 3.57Å; W603-C607 WeakPolarHBondContact O-CB 3.22Å; W603-C607 PolarHBondContact O-N 2.96Å; W603-C607 PolarHBondContact O-SG 3.04Å; W603-W613 HydrophobicContact CZ2-CD2 4.47Å; W603-W613 HydrophobicContact CZ2-CZ2 4.24Å; W603-L614 PolarHBondContact NE1-O 3.07Å; W603-H619 HydrophobicContact CB-CB 3.64Å; W603-H619 AromaticContact CD1-CD2 3.75Å; W603-H619 HydrophobicContact CG-CB 4.38Å; W603-H619 PolarHBondContact N-ND1 3.44Å
604	V	96.6	Very high	94.8	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-65.8	-46.4	-178.9	-179.8	0	0	0	0	110.8	Q552 L553 L556 V576 Y601 S602 L608	Q552-V604 HydrophobicContact CB-CG1 4.39Å; L553-V604 HydrophobicContact CD1-CG2 3.88Å; L556-V604 HydrophobicContact CB-CG1 4.25Å; L556-V604 HydrophobicContact CD2-CB 4.1Å; L556-V604 HydrophobicContact CD2-CG1 3.86Å; L556-V604 HydrophobicContact CD2-CG2 4.12Å; V576-V604 HydrophobicContact CG1-CG2 3.65Å; V576-V604 HydrophobicContact CG2-CG2 4.42Å; Y601-V604 HydrophobicContact CD2-CB 3.86Å; Y601-V604 HydrophobicContact CD2-CG1 4.3Å; Y601-V604 HydrophobicContact CD2-CG2 4.03Å; Y601-V604 HydrophobicContact CE2-CB 3.87Å; Y601-V604 HydrophobicContact CE2-CG1 3.83Å; Y601-V604 HydrophobicContact CE2-CG2 4.38Å; Y601-V604 WeakPolarHBondContact O-CB 3.33Å; Y601-V604 PolarHBondContact O-N 3.27Å; S602-V604 VanDerWaalsContact C-N 3.31Å; S602-V604 PolarHBondContact O-N 3.25Å; V604-L608 HydrophobicContact CG1-CD1 4.02Å; V604-L608 WeakPolarHBondContact O-CB 3.34Å; V604-L608 VanDerWaalsContact O-CG 3.28Å; V604-L608 WeakPolarHBondContact O-CG 3.39Å; V604-L608 PolarHBondContact O-N 3.06Å; V604-L608 VanDerWaalsContact O-N 3.09Å
605	K	96.7	Very high	94.7	Very high	75 Å²	75	43.1 Å²	43.1	33%	0.326	23%	0.231	S	C	.	.	H	α-helix	trans	-59.6	-47.8	175.5	-70.9	176.1	-69.1	-172.2	0	111.2	E579 Y601 S602 L608 Q609	E579-K605 VanDerWaalsContact OE1-CE 3.26Å; E579-K605 WeakPolarHBondContact OE1-CE 3.4Å; E579-K605 IonicContact OE1-NZ 3.12Å; E579-K605 PolarHBondContact OE1-NZ 3.03Å; Y601-K605 HydrophobicContact CD1-CD 3.96Å; Y601-K605 HydrophobicContact CD1-CG 4.14Å; Y601-K605 HydrophobicContact CE1-CD 3.62Å; Y601-K605 HydrophobicContact CE1-CG 3.61Å; Y601-K605 PolarHBondContact O-N 3.34Å; S602-K605 PolarHBondContact O-N 3.46Å; K605-L608 PolarHBondContact O-N 3.28Å; K605-Q609 WeakPolarHBondContact O-CB 3.38Å; K605-Q609 VanDerWaalsContact O-CG 3.26Å; K605-Q609 WeakPolarHBondContact O-CG 3.39Å; K605-Q609 PolarHBondContact O-N 3.04Å
606	A	96.5	Very high	94.8	Very high	19 Å²	19	43.1 Å²	43.1	16%	0.157	23%	0.228	C	C	.	.	H	α-helix	trans	-64.2	-45.4	-177.9	0	0	0	0	0	112.2	S602 W603 L608 Q609 A610 L614	S602-A606 WeakPolarHBondContact O-CB 3.5Å; S602-A606 PolarHBondContact O-N 2.83Å; W603-A606 PolarHBondContact O-N 3.15Å; A606-L608 PolarHBondContact O-N 3.35Å; A606-Q609 PolarHBondContact O-N 3.17Å; A606-A610 WeakPolarHBondContact O-CB 3.43Å; A606-A610 PolarHBondContact O-N 2.9Å; A606-L614 VanDerWaalsContact C-CD1 3.46Å; A606-L614 HydrophobicContact CB-CD1 3.63Å; A606-L614 WeakPolarHBondContact O-CD1 3.42Å
607	C	95.5	Very high	94.6	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-64.4	-38.3	177.5	-65.2	0	0	0	0	112.6	L556 W603 G611 K612 L614	L556-C607 HydrophobicContact CD1-CB 3.55Å; L556-C607 HydrophobicContact CD2-CB 3.99Å; L556-C607 HydrophobicContact CG-CB 4.46Å; W603-C607 VanDerWaalsContact CE2-SG 3.57Å; W603-C607 WeakPolarHBondContact O-CB 3.22Å; W603-C607 PolarHBondContact O-N 2.96Å; W603-C607 PolarHBondContact O-SG 3.04Å; C607-G611 PolarHBondContact O-N 3.04Å; C607-K612 WeakPolarHBondContact CA-O 3.18Å; C607-K612 WeakPolarHBondContact CB-O 3.45Å; C607-K612 PolarHBondContact O-N 3.46Å; C607-L614 PolarHBondContact SG-N 3.48Å; C607-L614 VanDerWaalsContact SG-N 3.41Å
608	L	96.5	Very high	94.4	Very high	50 Å²	50	50.5 Å²	50.5	26%	0.262	27%	0.272	S	S	.	.	H	α-helix	trans	-67.1	-39.7	174.8	-73.3	173.6	0	0	0	112.4	Q552 K555 L556 L559 V604 K605 A606 G611	Q552-L608 HydrophobicContact CB-CD1 3.79Å; Q552-L608 HydrophobicContact CG-CD1 4.43Å; K555-L608 HydrophobicContact CB-CD2 4.25Å; L556-L608 HydrophobicContact CB-CD2 3.97Å; L556-L608 HydrophobicContact CB-CG 4.17Å; L556-L608 HydrophobicContact CD1-CD2 4.15Å; L556-L608 HydrophobicContact CD1-CG 4.27Å; L559-L608 HydrophobicContact CD2-CD2 4.19Å; V604-L608 HydrophobicContact CG1-CD1 4.02Å; V604-L608 WeakPolarHBondContact O-CB 3.34Å; V604-L608 VanDerWaalsContact O-CG 3.28Å; V604-L608 WeakPolarHBondContact O-CG 3.39Å; V604-L608 PolarHBondContact O-N 3.06Å; V604-L608 VanDerWaalsContact O-N 3.09Å; K605-L608 PolarHBondContact O-N 3.28Å; A606-L608 PolarHBondContact O-N 3.35Å; L608-G611 PolarHBondContact O-N 3.37Å
609	Q	96.8	Very high	94.3	Very high	166 Å²	166	52 Å²	52	78%	0.776	28%	0.279	S	S	*	.	H	α-helix	trans	-67.2	-38.1	175.8	-75.3	170.2	-26.5	0	0	112.2	K605 A606 G611	K605-Q609 WeakPolarHBondContact O-CB 3.38Å; K605-Q609 VanDerWaalsContact O-CG 3.26Å; K605-Q609 WeakPolarHBondContact O-CG 3.39Å; K605-Q609 PolarHBondContact O-N 3.04Å; A606-Q609 PolarHBondContact O-N 3.17Å; Q609-G611 VanDerWaalsContact C-N 3.35Å
610	A	95.2	Very high	94.1	Very high	45 Å²	45	52.4 Å²	52.4	37%	0.372	28%	0.281	S	S	.	.	H	α-helix	trans	-82.9	-8.4	178.7	0	0	0	0	0	114.2	A606 K612 L614	A606-A610 WeakPolarHBondContact O-CB 3.43Å; A606-A610 PolarHBondContact O-N 2.9Å; A610-K612 HydrophobicContact CB-CG 4.02Å; A610-K612 WeakPolarHBondContact O-CG 3.35Å; A610-K612 PolarHBondContact O-N 3.13Å; A610-L614 HydrophobicContact CB-CD1 3.89Å; A610-L614 HydrophobicContact CB-CD2 3.94Å; A610-L614 HydrophobicContact CB-CG 4.08Å
611	G	93.9	Very high	94	Very high	48 Å²	48	49.9 Å²	49.9	50%	0.495	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.8	15.9	-177.1	0	0	0	0	0	114.8	C607 L608 Q609	C607-G611 PolarHBondContact O-N 3.04Å; L608-G611 PolarHBondContact O-N 3.37Å; Q609-G611 VanDerWaalsContact C-N 3.35Å
612	K	92.1	Very high	93.6	Very high	128 Å²	128	50.7 Å²	50.7	56%	0.557	28%	0.284	S	S	*	.	S	Bend	trans	-156.7	168.8	-170.1	69.6	-173.1	-179.9	-177.5	0	112.1	C607 A610 L614	C607-K612 WeakPolarHBondContact CA-O 3.18Å; C607-K612 WeakPolarHBondContact CB-O 3.45Å; C607-K612 PolarHBondContact O-N 3.46Å; A610-K612 HydrophobicContact CB-CG 4.02Å; A610-K612 WeakPolarHBondContact O-CG 3.35Å; A610-K612 PolarHBondContact O-N 3.13Å; K612-L614 HydrophobicContact CG-CD2 4.25Å
613	W	90.3	Very high	93.3	Very high	88 Å²	88	55.2 Å²	55.2	33%	0.333	30%	0.302	S	S	.	.			trans	-61.8	132.7	169.3	-167.6	-64.7	0	0	0	110.9	L538 L560 H574 W603 E616	L538-W613 HydrophobicContact CD1-CH2 3.73Å; L538-W613 HydrophobicContact CD1-CZ3 3.89Å; L538-W613 HydrophobicContact CD2-CZ3 3.86Å; L538-W613 HydrophobicContact CG-CZ3 4.31Å; L560-W613 HydrophobicContact CD1-CD2 4.43Å; L560-W613 HydrophobicContact CD1-CE3 3.9Å; L560-W613 HydrophobicContact CD1-CZ3 4.41Å; L560-W613 HydrophobicContact CD2-CB 4.08Å; L560-W613 HydrophobicContact CD2-CE3 4.42Å; H574-W613 AromaticContact CE1-CH2 3.65Å; H574-W613 AromaticContact CE1-CZ2 3.87Å; H574-W613 AromaticContact NE2-CH2 3.9Å; H574-W613 AromaticContact NE2-CZ2 3.67Å; W603-W613 HydrophobicContact CZ2-CD2 4.47Å; W603-W613 HydrophobicContact CZ2-CZ2 4.24Å; W613-E616 HydrophobicContact CZ2-CG 4.09Å; W613-E616 PolarHBondContact NE1-OE2 3.19Å
614	L	91.6	Very high	93.1	Very high	40 Å²	40	55.5 Å²	55.5	21%	0.209	31%	0.305	C	S	.	.			trans	-118.6	155.3	170.3	-62.3	-179.2	0	0	0	111.1	W603 A606 C607 A610 K612 E616	W603-L614 PolarHBondContact NE1-O 3.07Å; A606-L614 VanDerWaalsContact C-CD1 3.46Å; A606-L614 HydrophobicContact CB-CD1 3.63Å; A606-L614 WeakPolarHBondContact O-CD1 3.42Å; C607-L614 PolarHBondContact SG-N 3.48Å; C607-L614 VanDerWaalsContact SG-N 3.41Å; A610-L614 HydrophobicContact CB-CD1 3.89Å; A610-L614 HydrophobicContact CB-CD2 3.94Å; A610-L614 HydrophobicContact CB-CG 4.08Å; K612-L614 HydrophobicContact CG-CD2 4.25Å; L614-E616 PolarHBondContact O-N 2.79Å
615	P	88.8	Confident	93	Very high	74 Å²	74	55.6 Å²	55.6	48%	0.481	31%	0.306	S	S	.	.			trans	-53.1	131.3	-178.7	-27.2	36.1	0	0	0	113.6
616	E	93	Very high	92.6	Very high	9 Å²	9	55.3 Å²	55.3	4%	0.042	31%	0.305	C	S	.	.	S	Bend	trans	-70.2	-31.8	-175.9	-54.8	88.6	110.2	0	0	112.8	R533 W597 V599 W613 L614 E618 H619 E620	R533-E616 IonicContact CZ-OE1 2.67Å; R533-E616 IonicContact NH1-OE1 3.73Å; R533-E616 PolarHBondContact NH1-OE1 3.47Å; R533-E616 IonicContact NH1-OE2 3.65Å; R533-E616 IonicContact NH2-OE1 2.65Å; W597-E616 HydrophobicContact CD2-CB 3.5Å; W597-E616 HydrophobicContact CD2-CG 3.95Å; W597-E616 HydrophobicContact CE3-CB 3.54Å; W597-E616 HydrophobicContact CE3-CG 4.49Å; W597-E616 HydrophobicContact CG-CB 4.15Å; W597-E616 HydrophobicContact CG-CG 4.21Å; W597-E616 HydrophobicContact CH2-CB 3.73Å; W597-E616 HydrophobicContact CZ2-CB 3.68Å; W597-E616 HydrophobicContact CZ2-CG 4.08Å; W597-E616 HydrophobicContact CZ3-CB 3.64Å; W597-E616 PolarHBondContact NE1-OE1 3.48Å; W597-E616 VanDerWaalsContact NE1-OE1 3.14Å; V599-E616 HydrophobicContact CG1-CB 4.34Å; W613-E616 HydrophobicContact CZ2-CG 4.09Å; W613-E616 PolarHBondContact NE1-OE2 3.19Å; L614-E616 PolarHBondContact O-N 2.79Å; E616-E618 PolarHBondContact O-N 3.11Å; E616-H619 PolarHBondContact O-N 3.29Å; E616-E620 PolarHBondContact O-N 2.94Å
617	A	89.1	Confident	92.4	Very high	51 Å²	51	59.6 Å²	59.6	42%	0.421	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-66.6	-38.6	-166.6	0	0	0	0	0	114.9	W597 H619 E620	W597-A617 HydrophobicContact CH2-CB 4.16Å; W597-A617 HydrophobicContact CZ3-CB 4.21Å; A617-H619 PolarHBondContact O-N 3.34Å; A617-H619 VanDerWaalsContact O-N 3.11Å; A617-E620 WeakPolarHBondContact O-CB 3.44Å; A617-E620 PolarHBondContact O-N 2.99Å
618	E	89.7	Confident	92.3	Very high	163 Å²	163	59.7 Å²	59.7	76%	0.762	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-65.1	-15.4	179.1	-67.7	170.7	-151.8	0	0	112.7	E616	E616-E618 PolarHBondContact O-N 3.11Å
619	H	93.9	Very high	92	Very high	32 Å²	32	59.2 Å²	59.2	15%	0.148	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-114.4	9.9	-179.4	-60.7	-80.3	0	0	0	113.5	V599 K600 S602 W603 E616 A617	V599-H619 WeakPolarHBondContact CA-O 3.14Å; K600-H619 PolarHBondContact N-O 2.79Å; S602-H619 WeakPolarHBondContact CB-ND1 3.21Å; S602-H619 PolarHBondContact OG-ND1 3.16Å; W603-H619 HydrophobicContact CB-CB 3.64Å; W603-H619 AromaticContact CD1-CD2 3.75Å; W603-H619 HydrophobicContact CG-CB 4.38Å; W603-H619 PolarHBondContact N-ND1 3.44Å; E616-H619 PolarHBondContact O-N 3.29Å; A617-H619 PolarHBondContact O-N 3.34Å; A617-H619 VanDerWaalsContact O-N 3.11Å
620	E	93.8	Very high	91.3	Very high	8 Å²	8	55.1 Å²	55.1	4%	0.037	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-62.2	144.5	-179	-164.7	149.8	-141.4	0	0	111.2	K600 E616 A617 G622 P625 Q626 R629	K600-E620 WeakPolarHBondContact CE-O 3.34Å; K600-E620 PolarHBondContact NZ-O 3.19Å; E616-E620 PolarHBondContact O-N 2.94Å; A617-E620 WeakPolarHBondContact O-CB 3.44Å; A617-E620 PolarHBondContact O-N 2.99Å; E620-G622 PolarHBondContact O-N 2.88Å; E620-P625 HydrophobicContact CG-CB 4.06Å; E620-Q626 HydrophobicContact CG-CB 4.27Å; E620-Q626 WeakPolarHBondContact OE2-CB 3.26Å; E620-R629 IonicContact OE1-CZ 3.6Å; E620-R629 IonicContact OE1-NE 2.73Å; E620-R629 PolarHBondContact OE1-NE 3.3Å; E620-R629 IonicContact OE1-NH2 3.27Å; E620-R629 IonicContact OE2-CZ 2.88Å; E620-R629 IonicContact OE2-NE 3.49Å; E620-R629 PolarHBondContact OE2-NE 3.48Å; E620-R629 IonicContact OE2-NH2 3.39Å; E620-R629 PolarHBondContact OE2-NH2 3.37Å
621	A	93.1	Very high	90.9	Very high	11 Å²	11	53.7 Å²	53.7	9%	0.091	28%	0.282	C	S	.	.			trans	-80	34	-168	0	0	0	0	0	114.2	V577 M582 V598 K600 P625	V577-A621 HydrophobicContact CG2-CB 3.78Å; M582-A621 HydrophobicContact CB-CB 4.24Å; M582-A621 HydrophobicContact CG-CB 4.1Å; M582-A621 HydrophobicContact SD-CB 4.42Å; V598-A621 HydrophobicContact CB-CB 4.16Å; V598-A621 HydrophobicContact CG1-CB 3.75Å; V598-A621 VanDerWaalsContact O-CB 3.29Å; V598-A621 WeakPolarHBondContact O-CB 3.42Å; V598-A621 PolarHBondContact O-N 3.27Å; K600-A621 HydrophobicContact CG-CB 4.49Å; A621-P625 HydrophobicContact CB-CG 4.24Å
622	G	88.6	Confident	90.3	Very high	29 Å²	29	58.6 Å²	58.6	30%	0.299	29%	0.285	S	S	.	.	S	Bend	trans	99.7	179.7	-178.4	0	0	0	0	0	114	E620 G624 P625	E620-G622 PolarHBondContact O-N 2.88Å; G622-G624 VanDerWaalsContact C-N 3.29Å; G622-G624 PolarHBondContact O-N 2.78Å; G622-P625 WeakPolarHBondContact O-CD 3.39Å
623	E	90.7	Very high	89.5	Confident	124 Å²	124	56.6 Å²	56.6	58%	0.579	29%	0.286	S	S	*	.	H	α-helix	trans	-60.9	-29.7	-170.1	-56.5	-52	127.7	0	0	114.7	Q626 R627	E623-Q626 PolarHBondContact O-N 3.3Å; E623-R627 WeakPolarHBondContact O-CB 3.38Å; E623-R627 WeakPolarHBondContact O-CG 3.41Å; E623-R627 PolarHBondContact O-N 3.22Å
624	G	93.3	Very high	88.9	Confident	6 Å²	6	54.7 Å²	54.7	6%	0.062	29%	0.287	C	S	.	.	H	α-helix	trans	-65.4	-57.3	-177.1	0	0	0	0	0	113.8	G622 Q626 R627 S628 A737 F738	G622-G624 VanDerWaalsContact C-N 3.29Å; G622-G624 PolarHBondContact O-N 2.78Å; G624-Q626 VanDerWaalsContact C-N 3.3Å; G624-Q626 PolarHBondContact O-N 2.78Å; G624-R627 PolarHBondContact O-N 3.42Å; G624-S628 PolarHBondContact O-N 2.93Å; G624-A737 VanDerWaalsContact CA-O 3.27Å; G624-A737 WeakPolarHBondContact CA-O 3.5Å; G624-F738 WeakPolarHBondContact O-CB 3.34Å
625	P	93.7	Very high	88.2	Confident	2 Å²	2	55 Å²	55	1%	0.013	29%	0.288	C	S	.	.	H	α-helix	trans	-49.2	-47.5	168.3	-31.4	36.6	0	0	0	113.7	M582 L592 V598 E620 A621 G622 R627 S628 R629	M582-P625 HydrophobicContact SD-CG 3.59Å; M582-P625 VanDerWaalsContact SD-CG 3.59Å; L592-P625 HydrophobicContact CD1-CG 4.04Å; L592-P625 HydrophobicContact CG-CG 4.36Å; V598-P625 HydrophobicContact CB-CB 3.76Å; V598-P625 HydrophobicContact CB-CG 3.71Å; V598-P625 HydrophobicContact CG1-CG 4.34Å; V598-P625 HydrophobicContact CG2-CB 3.98Å; V598-P625 HydrophobicContact CG2-CG 4Å; E620-P625 HydrophobicContact CG-CB 4.06Å; A621-P625 HydrophobicContact CB-CG 4.24Å; G622-P625 WeakPolarHBondContact O-CD 3.39Å; P625-R627 PolarHBondContact O-N 2.76Å; P625-S628 PolarHBondContact O-N 3.36Å; P625-R629 WeakPolarHBondContact O-CB 3.43Å; P625-R629 PolarHBondContact O-N 3.41Å
626	Q	89.6	Confident	87.8	Confident	68 Å²	68	52.9 Å²	52.9	32%	0.318	27%	0.273	S	S	.	.	H	α-helix	trans	-60.4	-47.7	179.2	179.7	171.4	-39	0	0	112	E620 E623 G624 S628 R629 I630	E620-Q626 HydrophobicContact CG-CB 4.27Å; E620-Q626 WeakPolarHBondContact OE2-CB 3.26Å; E623-Q626 PolarHBondContact O-N 3.3Å; G624-Q626 VanDerWaalsContact C-N 3.3Å; G624-Q626 PolarHBondContact O-N 2.78Å; Q626-S628 PolarHBondContact O-N 3.05Å; Q626-R629 PolarHBondContact O-N 3.02Å; Q626-I630 HydrophobicContact CG-CD1 3.82Å; Q626-I630 WeakPolarHBondContact O-CB 3.48Å; Q626-I630 WeakPolarHBondContact O-CD1 3.21Å; Q626-I630 VanDerWaalsContact O-CG1 3.23Å; Q626-I630 WeakPolarHBondContact O-CG1 3.31Å; Q626-I630 PolarHBondContact O-N 3.2Å
627	R	91.3	Very high	87.5	Confident	109 Å²	109	52.5 Å²	52.5	41%	0.411	27%	0.271	S	S	.	.	H	α-helix	trans	-59	-44.5	174.6	-79.5	-163.4	-73.4	-165.4	-6	111.8	E623 G624 P625 I630 N631 A737 F738 S739	E623-R627 WeakPolarHBondContact O-CB 3.38Å; E623-R627 WeakPolarHBondContact O-CG 3.41Å; E623-R627 PolarHBondContact O-N 3.22Å; G624-R627 PolarHBondContact O-N 3.42Å; P625-R627 PolarHBondContact O-N 2.76Å; R627-I630 PolarHBondContact O-N 2.98Å; R627-N631 VanDerWaalsContact O-CB 3.24Å; R627-N631 WeakPolarHBondContact O-CB 3.33Å; R627-N631 PolarHBondContact O-N 2.94Å; R627-A737 PolarHBondContact NE-O 3.22Å; R627-A737 VanDerWaalsContact NE-O 3.1Å; R627-A737 PolarHBondContact NH2-O 2.98Å; R627-F738 HydrophobicContact CB-CB 4.14Å; R627-F738 HydrophobicContact CB-CD1 4.12Å; R627-S739 PolarHBondContact NH1-OG 2.76Å
628	S	93.8	Very high	87.6	Confident	2 Å²	2	52 Å²	52	1%	0.014	26%	0.263	C	S	.	.	H	α-helix	trans	-66	-44.3	179.6	-169.8	0	0	0	0	113.2	L592 G624 P625 Q626 I630 N631 R632 F738	L592-S628 VanDerWaalsContact O-CB 3.29Å; L592-S628 WeakPolarHBondContact O-CB 3.16Å; L592-S628 PolarHBondContact O-OG 3.28Å; G624-S628 PolarHBondContact O-N 2.93Å; P625-S628 PolarHBondContact O-N 3.36Å; Q626-S628 PolarHBondContact O-N 3.05Å; S628-I630 PolarHBondContact O-N 3.25Å; S628-N631 WeakPolarHBondContact O-CB 3.41Å; S628-N631 PolarHBondContact O-N 2.94Å; S628-R632 PolarHBondContact O-N 3.2Å; S628-F738 WeakPolarHBondContact OG-CD2 3.39Å; S628-F738 WeakPolarHBondContact OG-CE2 3.46Å
629	R	89.1	Confident	87.9	Confident	41 Å²	41	44.3 Å²	44.3	16%	0.155	23%	0.227	C	C	.	.	H	α-helix	trans	-62.6	-43.5	176.8	-176.7	-178.5	55.1	74.1	-4.3	111	W597 E620 P625 Q626 R632 C633	W597-R629 VanDerWaalsContact CD2-CD 3.49Å; W597-R629 VanDerWaalsContact CE3-NE 3.31Å; W597-R629 VanDerWaalsContact CH2-CZ 3.42Å; E620-R629 IonicContact OE1-CZ 3.6Å; E620-R629 IonicContact OE1-NE 2.73Å; E620-R629 PolarHBondContact OE1-NE 3.3Å; E620-R629 IonicContact OE1-NH2 3.27Å; E620-R629 IonicContact OE2-CZ 2.88Å; E620-R629 IonicContact OE2-NE 3.49Å; E620-R629 PolarHBondContact OE2-NE 3.48Å; E620-R629 IonicContact OE2-NH2 3.39Å; E620-R629 PolarHBondContact OE2-NH2 3.37Å; P625-R629 WeakPolarHBondContact O-CB 3.43Å; P625-R629 PolarHBondContact O-N 3.41Å; Q626-R629 PolarHBondContact O-N 3.02Å; R629-R632 PolarHBondContact O-N 2.87Å; R629-C633 WeakPolarHBondContact O-CB 3.5Å; R629-C633 PolarHBondContact O-N 3.01Å; R629-C633 PolarHBondContact O-SG 2.73Å; R629-C633 VanDerWaalsContact O-SG 3.32Å
630	I	82.7	Confident	88	Confident	79 Å²	79	42.8 Å²	42.8	41%	0.405	22%	0.22	S	C	.	.	H	α-helix	trans	-61	-47.3	173.1	-70	167.3	0	0	0	110.5	Q626 R627 S628 R632 C633 S634	Q626-I630 HydrophobicContact CG-CD1 3.82Å; Q626-I630 WeakPolarHBondContact O-CB 3.48Å; Q626-I630 WeakPolarHBondContact O-CD1 3.21Å; Q626-I630 VanDerWaalsContact O-CG1 3.23Å; Q626-I630 WeakPolarHBondContact O-CG1 3.31Å; Q626-I630 PolarHBondContact O-N 3.2Å; R627-I630 PolarHBondContact O-N 2.98Å; S628-I630 PolarHBondContact O-N 3.25Å; I630-R632 VanDerWaalsContact C-N 3.32Å; I630-R632 PolarHBondContact O-N 3.13Å; I630-C633 PolarHBondContact O-N 3.34Å; I630-C633 VanDerWaalsContact O-N 3.15Å; I630-S634 WeakPolarHBondContact O-CB 3.39Å; I630-S634 PolarHBondContact O-N 2.97Å; I630-S634 PolarHBondContact O-OG 3.49Å
631	N	86.5	Confident	87.8	Confident	15 Å²	15	43.5 Å²	43.5	8%	0.08	22%	0.224	C	C	.	.	H	α-helix	trans	-55.4	-44.7	177.4	-174.3	91	0	0	0	112.3	R627 S628 L635 L636 P637 H691 F738	R627-N631 VanDerWaalsContact O-CB 3.24Å; R627-N631 WeakPolarHBondContact O-CB 3.33Å; R627-N631 PolarHBondContact O-N 2.94Å; S628-N631 WeakPolarHBondContact O-CB 3.41Å; S628-N631 PolarHBondContact O-N 2.94Å; N631-L635 PolarHBondContact O-N 3.17Å; N631-L636 PolarHBondContact ND2-O 3.43Å; N631-L636 WeakPolarHBondContact O-CB 3.25Å; N631-L636 PolarHBondContact O-N 2.97Å; N631-L636 WeakPolarHBondContact OD1-CB 3.46Å; N631-P637 PolarHBondContact ND2-O 3.34Å; N631-P637 PolarHBondContact OD1-O 3.07Å; N631-H691 PolarHBondContact OD1-CE1 2.88Å; N631-H691 PolarHBondContact OD1-NE2 3.33Å; N631-F738 HydrophobicContact CB-CD1 4.47Å; N631-F738 HydrophobicContact CB-CE1 3.54Å; N631-F738 HydrophobicContact CB-CZ 3.96Å
632	R	82.3	Confident	87.4	Confident	152 Å²	152	43.6 Å²	43.6	57%	0.574	23%	0.227	S	C	*	.	H	α-helix	trans	-64.8	-47.2	174.3	176.3	169.8	176.7	128.5	6.1	112.3	A594 S628 R629 I630 S634 L635	A594-R632 WeakPolarHBondContact O-CD 3.4Å; A594-R632 PolarHBondContact O-NH1 3.37Å; S628-R632 PolarHBondContact O-N 3.2Å; R629-R632 PolarHBondContact O-N 2.87Å; I630-R632 VanDerWaalsContact C-N 3.32Å; I630-R632 PolarHBondContact O-N 3.13Å; R632-S634 VanDerWaalsContact C-N 3.28Å; R632-S634 PolarHBondContact O-N 3.15Å; R632-L635 PolarHBondContact O-N 3.33Å
633	C	74.8	Confident	87.6	Confident	86 Å²	86	42.3 Å²	42.3	58%	0.581	21%	0.213	S	C	*	.	H	α-helix	trans	-63.6	-33.1	178.7	-72.9	0	0	0	0	112.9	R629 I630 L635	R629-C633 WeakPolarHBondContact O-CB 3.5Å; R629-C633 PolarHBondContact O-N 3.01Å; R629-C633 PolarHBondContact O-SG 2.73Å; R629-C633 VanDerWaalsContact O-SG 3.32Å; I630-C633 PolarHBondContact O-N 3.34Å; I630-C633 VanDerWaalsContact O-N 3.15Å; C633-L635 VanDerWaalsContact C-N 3.29Å
634	S	77	Confident	87.8	Confident	48 Å²	48	37.6 Å²	37.6	34%	0.336	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	7.2	176.6	-65.6	0	0	0	0	114.1	I630 R632 L636	I630-S634 WeakPolarHBondContact O-CB 3.39Å; I630-S634 PolarHBondContact O-N 2.97Å; I630-S634 PolarHBondContact O-OG 3.49Å; R632-S634 VanDerWaalsContact C-N 3.28Å; R632-S634 PolarHBondContact O-N 3.15Å; S634-L636 VanDerWaalsContact C-N 3.27Å; S634-L636 WeakPolarHBondContact O-CD2 3.47Å; S634-L636 PolarHBondContact O-N 2.82Å
635	L	77	Confident	87.9	Confident	47 Å²	47	37.3 Å²	37.3	25%	0.246	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	46.5	179.2	-59.4	178	0	0	0	112.6	V447 L452 L453 N631 R632 C633	V447-L635 HydrophobicContact CG1-CD1 4.04Å; L452-L635 CarbonylContact C-O 3.57Å; L452-L635 WeakPolarHBondContact CA-O 3.42Å; L452-L635 WeakPolarHBondContact CB-O 3.24Å; L452-L635 VanDerWaalsContact CD2-C 3.44Å; L452-L635 HydrophobicContact CD2-CB 4.17Å; L452-L635 WeakPolarHBondContact CD2-O 3.42Å; L453-L635 HydrophobicContact CD1-CB 4.31Å; L453-L635 HydrophobicContact CD1-CD1 4.13Å; L453-L635 HydrophobicContact CG-CB 4.11Å; L453-L635 HydrophobicContact CG-CD1 4.13Å; L453-L635 PolarHBondContact N-O 3.36Å; N631-L635 PolarHBondContact O-N 3.17Å; R632-L635 PolarHBondContact O-N 3.33Å; C633-L635 VanDerWaalsContact C-N 3.29Å
636	L	80.9	Confident	88	Confident	29 Å²	29	38.9 Å²	38.9	15%	0.152	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-94.2	158.3	177.7	-55.4	-172.3	0	0	0	111.9	L452 N454 N631 S634 Y690	L452-L636 WeakPolarHBondContact CD2-O 3.29Å; N454-L636 HydrophobicContact CB-CD2 3.64Å; N454-L636 WeakPolarHBondContact ND2-CD2 3.43Å; N631-L636 PolarHBondContact ND2-O 3.43Å; N631-L636 WeakPolarHBondContact O-CB 3.25Å; N631-L636 PolarHBondContact O-N 2.97Å; N631-L636 WeakPolarHBondContact OD1-CB 3.46Å; S634-L636 VanDerWaalsContact C-N 3.27Å; S634-L636 WeakPolarHBondContact O-CD2 3.47Å; S634-L636 PolarHBondContact O-N 2.82Å; L636-Y690 HydrophobicContact CB-CE1 4.43Å
637	P	87.3	Confident	88.3	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-50.2	146.4	173.5	-32	40.2	0	0	0	114.4	N631 D641 Y690 H691	N631-P637 PolarHBondContact ND2-O 3.34Å; N631-P637 PolarHBondContact OD1-O 3.07Å; P637-D641 HydrophobicContact CB-CB 3.74Å; P637-Y690 HydrophobicContact CB-CD1 3.93Å; P637-Y690 HydrophobicContact CB-CD2 4.43Å; P637-Y690 HydrophobicContact CB-CG 3.85Å; P637-Y690 HydrophobicContact CG-CD1 3.95Å; P637-Y690 HydrophobicContact CG-CD2 3.73Å; P637-Y690 HydrophobicContact CG-CE1 4.33Å; P637-Y690 HydrophobicContact CG-CE2 4.1Å; P637-Y690 HydrophobicContact CG-CG 3.64Å; P637-H691 PolarHBondContact O-NE2 2.94Å
638	P	91.6	Very high	88.4	Confident	41 Å²	41	32.8 Å²	32.8	27%	0.266	17%	0.172	S	C	.	.	P	Polyproline II helix	trans	-66.7	160.4	171.7	33.4	-39.2	0	0	0	111	F640 D641 G666 H691	P638-F640 PolarHBondContact O-N 2.82Å; P638-D641 HydrophobicContact CG-CB 4.35Å; P638-D641 PolarHBondContact O-N 3.22Å; P638-G666 WeakPolarHBondContact CB-O 3.48Å; P638-H691 PolarHBondContact O-CD2 2.91Å; P638-H691 VanDerWaalsContact O-CD2 3.3Å
639	L	95.4	Very high	88.1	Confident	1 Å²	1	35.1 Å²	35.1	1%	0.005	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.3	-34.2	-167.4	-177.1	59.9	0	0	0	115.5	L593 G666 H691 C734 I735 F738	L593-L639 HydrophobicContact CD2-CB 4.1Å; L593-L639 HydrophobicContact CD2-CD2 4.07Å; L639-G666 PolarHBondContact N-O 3.06Å; L639-H691 VanDerWaalsContact CA-CD2 3.41Å; L639-H691 WeakPolarHBondContact CA-CD2 3.44Å; L639-H691 HydrophobicContact CD1-CB 4.26Å; L639-H691 WeakPolarHBondContact O-CB 3.47Å; L639-H691 PolarHBondContact O-CD2 3.13Å; L639-C734 WeakPolarHBondContact CD2-O 3.45Å; L639-I735 HydrophobicContact CD2-CB 4.43Å; L639-I735 HydrophobicContact CD2-CG1 4.05Å; L639-F738 HydrophobicContact CB-CD2 4.24Å; L639-F738 HydrophobicContact CB-CE2 3.79Å; L639-F738 HydrophobicContact CB-CZ 4.1Å; L639-F738 HydrophobicContact CD1-CD1 4.47Å; L639-F738 HydrophobicContact CD1-CD2 4.36Å; L639-F738 HydrophobicContact CD1-CG 4.35Å; L639-F738 HydrophobicContact CD2-CD2 4.25Å
640	F	95.7	Very high	88.1	Confident	0 Å²	0	38 Å²	38	0%	0	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.8	22.8	-175.2	-54.5	-55	0	0	0	113.5	P638 G642 C643 F645 L663 G666 I731 C734 I735 L740	P638-F640 PolarHBondContact O-N 2.82Å; F640-G642 PolarHBondContact O-N 3.11Å; F640-C643 HydrophobicContact CB-CB 4.2Å; F640-C643 WeakPolarHBondContact O-CB 3.49Å; F640-C643 PolarHBondContact O-N 3.45Å; F640-F645 HydrophobicContact CB-CE2 3.88Å; F640-F645 HydrophobicContact CB-CZ 3.97Å; F640-F645 AromaticContact CD1-CZ 3.82Å; F640-F645 HydrophobicContact CD1-CZ 3.82Å; F640-F645 HydrophobicContact CD2-CZ 4.49Å; F640-F645 HydrophobicContact CE1-CZ 4.41Å; F640-F645 HydrophobicContact CG-CE2 4.19Å; F640-F645 AromaticContact CG-CZ 3.86Å; F640-F645 HydrophobicContact CG-CZ 3.86Å; F640-L663 HydrophobicContact CD2-CD2 4.08Å; F640-L663 HydrophobicContact CE2-CD2 3.97Å; F640-L663 HydrophobicContact CZ-CD2 4.49Å; F640-G666 WeakPolarHBondContact CA-O 3.34Å; F640-G666 WeakPolarHBondContact CB-O 3.39Å; F640-G666 PolarHBondContact N-O 3.33Å; F640-I731 HydrophobicContact CE2-CG2 4.36Å; F640-I731 HydrophobicContact CZ-CG2 4.18Å; F640-C734 HydrophobicContact CE1-CB 4.07Å; F640-C734 HydrophobicContact CZ-CB 4.11Å; F640-I735 HydrophobicContact CE2-CD1 4.18Å; F640-I735 HydrophobicContact CE2-CG1 3.83Å; F640-I735 HydrophobicContact CZ-CD1 4.49Å; F640-I735 HydrophobicContact CZ-CG1 3.88Å; F640-L740 HydrophobicContact CD1-CD1 4.07Å; F640-L740 HydrophobicContact CE1-CD1 4.04Å
641	D	89.2	Confident	88.4	Confident	23 Å²	23	35.3 Å²	35.3	12%	0.123	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	134.5	170.6	-175.7	36.1	0	0	0	110.9	K423 P637 P638 C643 A689	K423-D641 WeakPolarHBondContact CE-OD1 3.43Å; K423-D641 IonicContact NZ-OD1 3.99Å; K423-D641 PolarHBondContact NZ-OD1 3.02Å; K423-D641 VanDerWaalsContact NZ-OD1 3.16Å; K423-D641 IonicContact NZ-OD2 3.5Å; K423-D641 PolarHBondContact NZ-OD2 2.72Å; P637-D641 HydrophobicContact CB-CB 3.74Å; P638-D641 HydrophobicContact CG-CB 4.35Å; P638-D641 PolarHBondContact O-N 3.22Å; D641-C643 VanDerWaalsContact C-N 3.25Å; D641-C643 PolarHBondContact O-N 2.66Å; D641-A689 WeakPolarHBondContact O-CA 3.42Å
642	G	85.1	Confident	88.2	Confident	14 Å²	14	41.6 Å²	41.6	14%	0.144	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.3	-7.1	-174.2	0	0	0	0	0	115.9	F640 F644 T702	F640-G642 PolarHBondContact O-N 3.11Å; G642-F644 WeakPolarHBondContact O-CD2 3.49Å; G642-F644 VanDerWaalsContact O-CE2 3.29Å; G642-F644 WeakPolarHBondContact O-CE2 3.46Å; G642-T702 WeakPolarHBondContact O-CB 3.3Å; G642-T702 PolarHBondContact O-OG1 3.34Å
643	C	92.9	Very high	88	Confident	2 Å²	2	37.1 Å²	37.1	1%	0.014	24%	0.236	C	C	.	.			trans	-93.6	140	-179.4	-64.2	0	0	0	0	113.4	F640 D641 F645 Q669 A689 T702 Y704	F640-C643 HydrophobicContact CB-CB 4.2Å; F640-C643 WeakPolarHBondContact O-CB 3.49Å; F640-C643 PolarHBondContact O-N 3.45Å; D641-C643 VanDerWaalsContact C-N 3.25Å; D641-C643 PolarHBondContact O-N 2.66Å; C643-F645 HydrophobicContact CB-CD2 4.4Å; C643-F645 HydrophobicContact CB-CE2 3.37Å; C643-F645 HydrophobicContact CB-CZ 3.49Å; C643-F645 VanDerWaalsContact CB-CZ 3.49Å; C643-Q669 PolarHBondContact O-N 2.96Å; C643-A689 WeakPolarHBondContact SG-CB 3.38Å; C643-T702 CarbonylContact C-O 3.48Å; C643-T702 WeakPolarHBondContact CA-O 3.28Å; C643-Y704 HydrophobicContact CB-CD2 4.37Å; C643-Y704 HydrophobicContact CB-CE2 4.04Å
644	F	93.8	Very high	88.4	Confident	25 Å²	25	34.9 Å²	34.9	11%	0.11	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	129.6	-178	-60.9	-96.1	0	0	0	110.9	G642 Q669 L671 L685 A687 T702 Q703 Y704	G642-F644 WeakPolarHBondContact O-CD2 3.49Å; G642-F644 VanDerWaalsContact O-CE2 3.29Å; G642-F644 WeakPolarHBondContact O-CE2 3.46Å; F644-Q669 CarbonylContact C-O 3.58Å; F644-Q669 VanDerWaalsContact CA-O 3.3Å; F644-Q669 WeakPolarHBondContact CA-O 3.45Å; F644-Q669 HydrophobicContact CD1-CB 3.87Å; F644-Q669 HydrophobicContact CD1-CG 4.1Å; F644-Q669 HydrophobicContact CE1-CB 4.15Å; F644-Q669 HydrophobicContact CE1-CG 4.27Å; F644-L671 HydrophobicContact CB-CD1 4.1Å; F644-L671 HydrophobicContact CB-CD2 4.2Å; F644-L671 HydrophobicContact CB-CG 4.12Å; F644-L671 HydrophobicContact CD1-CD2 3.99Å; F644-L685 HydrophobicContact CZ-CD2 4.37Å; F644-A687 HydrophobicContact CE2-CB 3.7Å; F644-A687 HydrophobicContact CZ-CB 4.33Å; F644-T702 PolarHBondContact N-O 3.09Å; F644-Q703 HydrophobicContact CB-CG 4Å; F644-Q703 HydrophobicContact CD2-CG 4.4Å; F644-Q703 HydrophobicContact CG-CG 4.48Å; F644-Q703 CarbonylContact O-C 3.49Å; F644-Q703 WeakPolarHBondContact O-CA 3.36Å; F644-Y704 PolarHBondContact O-N 3.4Å
645	F	96.3	Very high	89	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	134.6	-171	-57.5	-94.4	0	0	0	112.3	F640 C643 L663 Q669 L670 L671 Y704 I706 W730	F640-F645 HydrophobicContact CB-CE2 3.88Å; F640-F645 HydrophobicContact CB-CZ 3.97Å; F640-F645 AromaticContact CD1-CZ 3.82Å; F640-F645 HydrophobicContact CD1-CZ 3.82Å; F640-F645 HydrophobicContact CD2-CZ 4.49Å; F640-F645 HydrophobicContact CE1-CZ 4.41Å; F640-F645 HydrophobicContact CG-CE2 4.19Å; F640-F645 AromaticContact CG-CZ 3.86Å; F640-F645 HydrophobicContact CG-CZ 3.86Å; C643-F645 HydrophobicContact CB-CD2 4.4Å; C643-F645 HydrophobicContact CB-CE2 3.37Å; C643-F645 HydrophobicContact CB-CZ 3.49Å; C643-F645 VanDerWaalsContact CB-CZ 3.49Å; F645-L663 HydrophobicContact CB-CD1 3.77Å; F645-L663 HydrophobicContact CD1-CD1 4.13Å; F645-L663 HydrophobicContact CD1-CD2 3.65Å; F645-L663 HydrophobicContact CD2-CD1 4.45Å; F645-L663 HydrophobicContact CD2-CD2 3.93Å; F645-L663 HydrophobicContact CE1-CD2 3.65Å; F645-L663 HydrophobicContact CE2-CD2 3.93Å; F645-L663 HydrophobicContact CG-CD1 3.87Å; F645-L663 HydrophobicContact CG-CD2 3.8Å; F645-L663 HydrophobicContact CG-CG 4.36Å; F645-L663 HydrophobicContact CZ-CD2 3.79Å; F645-Q669 PolarHBondContact N-O 3.47Å; F645-L670 HydrophobicContact CB-CD2 4.03Å; F645-L670 WeakPolarHBondContact O-CA 3.42Å; F645-L671 PolarHBondContact O-N 3.37Å; F645-Y704 CarbonylContact C-O 3.58Å; F645-Y704 WeakPolarHBondContact CA-O 3.46Å; F645-Y704 HydrophobicContact CD1-CD2 4.14Å; F645-Y704 HydrophobicContact CD1-CG 4.2Å; F645-Y704 AromaticContact CE1-CD2 3.75Å; F645-Y704 HydrophobicContact CE1-CD2 3.75Å; F645-Y704 AromaticContact CE1-CG 4Å; F645-Y704 HydrophobicContact CE1-CG 4Å; F645-Y704 HydrophobicContact CZ-CD2 4.13Å; F645-I706 HydrophobicContact CD1-CD1 4.1Å; F645-I706 HydrophobicContact CD1-CG1 4.04Å; F645-W730 HydrophobicContact CE1-CH2 4.45Å; F645-W730 HydrophobicContact CE1-CZ3 4.17Å
646	F	95.8	Very high	89.7	Confident	35 Å²	35	37.5 Å²	37.5	15%	0.154	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	116.2	170	178.9	-100.6	0	0	0	110.4	L648 L671 R673 Q674 P675 Y704 I706	F646-L648 HydrophobicContact CD1-CB 4.27Å; F646-L648 HydrophobicContact CE1-CB 4.11Å; F646-L648 HydrophobicContact CE1-CD1 4.03Å; F646-L648 PolarHBondContact O-N 3.27Å; F646-L671 HydrophobicContact CB-CB 4.29Å; F646-L671 HydrophobicContact CD2-CB 4.48Å; F646-R673 WeakPolarHBondContact CD2-O 3.38Å; F646-R673 VanDerWaalsContact CE2-C 3.47Å; F646-Q674 HydrophobicContact CD1-CB 3.85Å; F646-Q674 HydrophobicContact CD1-CG 3.84Å; F646-Q674 HydrophobicContact CD2-CB 4.47Å; F646-Q674 HydrophobicContact CE1-CB 3.61Å; F646-Q674 HydrophobicContact CE1-CG 3.85Å; F646-Q674 HydrophobicContact CE2-CB 4.27Å; F646-Q674 VanDerWaalsContact CE2-N 3.33Å; F646-Q674 HydrophobicContact CG-CB 4.28Å; F646-Q674 HydrophobicContact CZ-CB 3.84Å; F646-P675 HydrophobicContact CB-CG 4.45Å; F646-Y704 PolarHBondContact N-O 2.87Å; F646-I706 PolarHBondContact O-N 2.86Å
647	L	95.6	Very high	90.3	Very high	14 Å²	14	42.4 Å²	42.4	7%	0.073	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	99.7	179.3	-58.2	-172.7	0	0	0	110.3	F651 K656 L659 A660 L663 I706	L647-F651 HydrophobicContact CB-CE2 3.99Å; L647-F651 HydrophobicContact CB-CZ 4.1Å; L647-F651 HydrophobicContact CD2-CZ 4.44Å; L647-K656 HydrophobicContact CB-CG 4.28Å; L647-K656 HydrophobicContact CD1-CG 3.87Å; L647-K656 WeakPolarHBondContact CD1-O 3.41Å; L647-K656 WeakPolarHBondContact O-CE 3.34Å; L647-K656 PolarHBondContact O-NZ 3.5Å; L647-L659 HydrophobicContact CD1-CB 4.41Å; L647-L659 HydrophobicContact CD2-CD2 3.91Å; L647-L659 HydrophobicContact CD2-CG 4.22Å; L647-A660 HydrophobicContact CD1-CB 3.91Å; L647-L663 HydrophobicContact CD2-CD1 3.8Å; L647-I706 HydrophobicContact CD2-CB 3.68Å; L647-I706 HydrophobicContact CD2-CG1 4.08Å; L647-I706 HydrophobicContact CD2-CG2 3.79Å
648	L	93.7	Very high	90.6	Very high	34 Å²	34	45.3 Å²	45.3	18%	0.178	27%	0.269	C	S	.	.			trans	-77.6	136	-179.1	179.5	62.9	0	0	0	111.2	F646 F651 I705 I706 Y713	F646-L648 HydrophobicContact CD1-CB 4.27Å; F646-L648 HydrophobicContact CE1-CB 4.11Å; F646-L648 HydrophobicContact CE1-CD1 4.03Å; F646-L648 PolarHBondContact O-N 3.27Å; L648-F651 WeakPolarHBondContact O-CE2 3.4Å; L648-F651 WeakPolarHBondContact O-CZ 3.49Å; L648-I705 HydrophobicContact CB-CG2 4.01Å; L648-I705 HydrophobicContact CD2-CG2 3.89Å; L648-I706 WeakPolarHBondContact CB-O 3.05Å; L648-I706 PolarHBondContact N-O 3.43Å; L648-Y713 HydrophobicContact CD2-CD1 3.78Å; L648-Y713 HydrophobicContact CD2-CD2 3.96Å; L648-Y713 HydrophobicContact CD2-CE1 3.86Å; L648-Y713 HydrophobicContact CD2-CE2 4.05Å; L648-Y713 HydrophobicContact CD2-CG 3.82Å
649	G	88.4	Confident	90.7	Very high	51 Å²	51	43.4 Å²	43.4	53%	0.526	26%	0.256	S	S	.	.	S	Bend	trans	66.1	-150.6	173.3	0	0	0	0	0	115.4	K656	G649-K656 PolarHBondContact O-NZ 3.18Å
650	S	87.4	Confident	90.7	Very high	101 Å²	101	44.1 Å²	44.1	71%	0.706	26%	0.263	S	S	*	.			trans	-110.5	158.8	174.3	49.4	0	0	0	0	110.4
651	F	90	Very high	90.7	Very high	24 Å²	24	47.7 Å²	47.7	11%	0.105	28%	0.278	C	S	.	.			trans	-127.4	131.1	-176.8	-60.1	-98.9	0	0	0	109.5	L647 L648 T654 K656 L659 I706 D708	L647-F651 HydrophobicContact CB-CE2 3.99Å; L647-F651 HydrophobicContact CB-CZ 4.1Å; L647-F651 HydrophobicContact CD2-CZ 4.44Å; L648-F651 WeakPolarHBondContact O-CE2 3.4Å; L648-F651 WeakPolarHBondContact O-CZ 3.49Å; F651-T654 VanDerWaalsContact CB-O 3.22Å; F651-T654 WeakPolarHBondContact CB-O 3.1Å; F651-K656 HydrophobicContact CD2-CB 3.95Å; F651-K656 HydrophobicContact CD2-CD 4.28Å; F651-K656 HydrophobicContact CD2-CG 4.04Å; F651-K656 HydrophobicContact CE2-CB 4.47Å; F651-K656 HydrophobicContact CE2-CD 4.17Å; F651-K656 HydrophobicContact CE2-CG 4.05Å; F651-L659 HydrophobicContact CD1-CD2 4.24Å; F651-L659 HydrophobicContact CE1-CD2 3.99Å; F651-L659 HydrophobicContact CZ-CD2 4.36Å; F651-I706 HydrophobicContact CE1-CG2 4.14Å; F651-I706 HydrophobicContact CZ-CG2 4.32Å; F651-D708 WeakPolarHBondContact CA-OD2 3.41Å; F651-D708 HydrophobicContact CB-CB 4.5Å; F651-D708 HydrophobicContact CD1-CB 3.79Å; F651-D708 HydrophobicContact CE1-CB 4.33Å; F651-D708 HydrophobicContact CG-CB 4.33Å
652	K	82.4	Confident	91.1	Very high	146 Å²	146	46.7 Å²	46.7	64%	0.635	27%	0.273	S	S	*	.	S	Bend	trans	-90.3	-32.1	179.8	-64.7	170.7	-179.2	167.8	0	113.4	D708 Q710	K652-D708 WeakPolarHBondContact CB-OD2 3.31Å; K652-D708 PolarHBondContact N-OD2 3.1Å; K652-Q710 HydrophobicContact CD-CB 3.96Å; K652-Q710 PolarHBondContact NZ-O 2.85Å
653	G	77.3	Confident	91.6	Very high	58 Å²	58	46 Å²	46	60%	0.598	27%	0.266	S	S	*	.	S	Bend	trans	-80.3	-105.1	179.4	0	0	0	0	0	111.8
654	T	82.9	Confident	91.7	Very high	40 Å²	40	53.1 Å²	53.1	25%	0.245	29%	0.292	C	S	.	.	S	Bend	trans	-64.7	133.9	169.3	-47.4	0	0	0	0	109.9	F651 E658 L659	F651-T654 VanDerWaalsContact CB-O 3.22Å; F651-T654 WeakPolarHBondContact CB-O 3.1Å; T654-E658 HydrophobicContact CG2-CB 3.84Å; T654-L659 HydrophobicContact CG2-CB 4.22Å
655	T	90.1	Very high	91.7	Very high	67 Å²	67	56.6 Å²	56.6	41%	0.411	31%	0.309	S	S	.	.			trans	-69.1	153.1	179.5	69.9	0	0	0	0	111.3	N657 E658 L659	T655-N657 PolarHBondContact O-N 3.46Å; T655-N657 VanDerWaalsContact O-N 3.1Å; T655-E658 VanDerWaalsContact CB-OE2 3.24Å; T655-E658 WeakPolarHBondContact CB-OE2 3.41Å; T655-E658 VanDerWaalsContact CG2-OE2 3.29Å; T655-E658 WeakPolarHBondContact CG2-OE2 3.21Å; T655-E658 PolarHBondContact N-OE2 3.32Å; T655-E658 PolarHBondContact O-N 3.04Å; T655-E658 VanDerWaalsContact OG1-CD 3.29Å; T655-E658 VanDerWaalsContact OG1-CG 3.3Å; T655-E658 WeakPolarHBondContact OG1-CG 3.37Å; T655-E658 PolarHBondContact OG1-N 3.44Å; T655-E658 PolarHBondContact OG1-OE2 3.13Å; T655-L659 WeakPolarHBondContact O-CB 3.24Å; T655-L659 PolarHBondContact O-N 3.19Å
656	K	91.8	Very high	91.5	Very high	82 Å²	82	56.6 Å²	56.6	36%	0.357	31%	0.309	S	S	.	.	H	α-helix	trans	-55.9	-30.3	177.8	-164.9	167.6	-169.4	159	0	113	L647 G649 F651 A660	L647-K656 HydrophobicContact CB-CG 4.28Å; L647-K656 HydrophobicContact CD1-CG 3.87Å; L647-K656 WeakPolarHBondContact CD1-O 3.41Å; L647-K656 WeakPolarHBondContact O-CE 3.34Å; L647-K656 PolarHBondContact O-NZ 3.5Å; G649-K656 PolarHBondContact O-NZ 3.18Å; F651-K656 HydrophobicContact CD2-CB 3.95Å; F651-K656 HydrophobicContact CD2-CD 4.28Å; F651-K656 HydrophobicContact CD2-CG 4.04Å; F651-K656 HydrophobicContact CE2-CB 4.47Å; F651-K656 HydrophobicContact CE2-CD 4.17Å; F651-K656 HydrophobicContact CE2-CG 4.05Å; K656-A660 WeakPolarHBondContact O-CB 3.46Å; K656-A660 PolarHBondContact O-N 2.79Å
657	N	92.8	Very high	91.3	Very high	133 Å²	133	56.5 Å²	56.5	71%	0.711	32%	0.318	S	S	*	.	H	α-helix	trans	-79.3	-41.1	-179.2	-68.2	-13.5	0	0	0	112.4	T655 A660 K661	T655-N657 PolarHBondContact O-N 3.46Å; T655-N657 VanDerWaalsContact O-N 3.1Å; N657-A660 PolarHBondContact O-N 2.87Å; N657-K661 PolarHBondContact O-N 3.45Å
658	E	93.8	Very high	91.2	Very high	61 Å²	61	56 Å²	56	29%	0.285	32%	0.317	S	S	.	.	H	α-helix	trans	-63	-47.8	173	-70.4	162.6	126.7	0	0	110.6	Y586 T654 T655 A660 K661 L662	Y586-E658 HydrophobicContact CD1-CG 4.24Å; Y586-E658 HydrophobicContact CD2-CB 3.73Å; Y586-E658 HydrophobicContact CD2-CG 3.97Å; Y586-E658 HydrophobicContact CE1-CG 4.23Å; Y586-E658 HydrophobicContact CE2-CB 3.7Å; Y586-E658 HydrophobicContact CE2-CG 3.97Å; Y586-E658 HydrophobicContact CG-CB 4.32Å; Y586-E658 HydrophobicContact CG-CG 4.09Å; T654-E658 HydrophobicContact CG2-CB 3.84Å; T655-E658 VanDerWaalsContact CB-OE2 3.24Å; T655-E658 WeakPolarHBondContact CB-OE2 3.41Å; T655-E658 VanDerWaalsContact CG2-OE2 3.29Å; T655-E658 WeakPolarHBondContact CG2-OE2 3.21Å; T655-E658 PolarHBondContact N-OE2 3.32Å; T655-E658 PolarHBondContact O-N 3.04Å; T655-E658 VanDerWaalsContact OG1-CD 3.29Å; T655-E658 VanDerWaalsContact OG1-CG 3.3Å; T655-E658 WeakPolarHBondContact OG1-CG 3.37Å; T655-E658 PolarHBondContact OG1-N 3.44Å; T655-E658 PolarHBondContact OG1-OE2 3.13Å; E658-A660 VanDerWaalsContact C-N 3.34Å; E658-A660 PolarHBondContact O-N 3.28Å; E658-K661 CarbonylContact O-C 3.54Å; E658-K661 PolarHBondContact O-N 3.19Å; E658-L662 WeakPolarHBondContact O-CG 3.24Å; E658-L662 PolarHBondContact O-N 3.33Å
659	L	95.1	Very high	91.1	Very high	0 Å²	0	60 Å²	60	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-63	-40.6	178.5	-167.3	61.6	0	0	0	111.7	L647 F651 T654 T655 K661 L662 L663 I706 I731	L647-L659 HydrophobicContact CD1-CB 4.41Å; L647-L659 HydrophobicContact CD2-CD2 3.91Å; L647-L659 HydrophobicContact CD2-CG 4.22Å; F651-L659 HydrophobicContact CD1-CD2 4.24Å; F651-L659 HydrophobicContact CE1-CD2 3.99Å; F651-L659 HydrophobicContact CZ-CD2 4.36Å; T654-L659 HydrophobicContact CG2-CB 4.22Å; T655-L659 WeakPolarHBondContact O-CB 3.24Å; T655-L659 PolarHBondContact O-N 3.19Å; L659-K661 VanDerWaalsContact C-N 3.29Å; L659-K661 PolarHBondContact O-N 3.46Å; L659-L662 PolarHBondContact O-N 2.94Å; L659-L663 WeakPolarHBondContact O-CB 3.27Å; L659-L663 WeakPolarHBondContact O-CG 3.43Å; L659-L663 PolarHBondContact O-N 2.72Å; L659-I706 HydrophobicContact CD2-CG2 4.02Å; L659-I731 HydrophobicContact CD1-CB 4.14Å; L659-I731 HydrophobicContact CD1-CD1 3.81Å; L659-I731 HydrophobicContact CD1-CG2 3.87Å; L659-I731 HydrophobicContact CD2-CD1 4.25Å; L659-I731 HydrophobicContact CG-CD1 4.18Å
660	A	95.3	Very high	91.3	Very high	17 Å²	17	59.4 Å²	59.4	14%	0.14	32%	0.319	C	S	.	.	H	α-helix	trans	-61.6	-33.2	172.3	0	0	0	0	0	113.1	L647 K656 N657 E658 R664 L670	L647-A660 HydrophobicContact CD1-CB 3.91Å; K656-A660 WeakPolarHBondContact O-CB 3.46Å; K656-A660 PolarHBondContact O-N 2.79Å; N657-A660 PolarHBondContact O-N 2.87Å; E658-A660 VanDerWaalsContact C-N 3.34Å; E658-A660 PolarHBondContact O-N 3.28Å; A660-R664 WeakPolarHBondContact O-CD 3.4Å; A660-R664 VanDerWaalsContact O-CG 3.24Å; A660-R664 WeakPolarHBondContact O-CG 3.49Å; A660-R664 PolarHBondContact O-N 3.32Å; A660-L670 HydrophobicContact CB-CD1 3.55Å
661	K	94.9	Very high	91.5	Very high	75 Å²	75	56.8 Å²	56.8	33%	0.326	30%	0.297	S	S	.	.	H	α-helix	trans	-78.5	-46.1	175	175.8	159	145.9	141.3	0	111.8	Y586 L590 N657 E658 L659 L663 R664 E665	Y586-K661 WeakPolarHBondContact OH-CD 3.33Å; Y586-K661 WeakPolarHBondContact OH-CE 3.34Å; L590-K661 HydrophobicContact CD2-CG 4.39Å; N657-K661 PolarHBondContact O-N 3.45Å; E658-K661 CarbonylContact O-C 3.54Å; E658-K661 PolarHBondContact O-N 3.19Å; L659-K661 VanDerWaalsContact C-N 3.29Å; L659-K661 PolarHBondContact O-N 3.46Å; K661-L663 VanDerWaalsContact C-N 3.28Å; K661-L663 PolarHBondContact O-N 3.46Å; K661-R664 PolarHBondContact O-N 3.27Å; K661-E665 HydrophobicContact CD-CG 4.39Å; K661-E665 WeakPolarHBondContact CE-OE1 3.37Å; K661-E665 HydrophobicContact CG-CG 3.68Å; K661-E665 IonicContact NZ-OE1 3.28Å; K661-E665 PolarHBondContact NZ-OE1 2.92Å; K661-E665 VanDerWaalsContact O-CG 3.23Å; K661-E665 WeakPolarHBondContact O-CG 3.44Å; K661-E665 PolarHBondContact O-N 3.18Å
662	L	96.7	Very high	91.5	Very high	1 Å²	1	61.3 Å²	61.3	1%	0.005	33%	0.331	C	S	.	.	H	α-helix	trans	-51.9	-47.3	175.5	-72.6	176.2	0	0	0	111.7	Y586 L589 L590 L593 E658 L659 R664 E665 G666 I732 I735	Y586-L662 HydrophobicContact CD2-CD1 4.17Å; Y586-L662 HydrophobicContact CD2-CD2 3.91Å; Y586-L662 HydrophobicContact CD2-CG 3.86Å; Y586-L662 HydrophobicContact CE2-CD2 4.11Å; Y586-L662 HydrophobicContact CE2-CG 3.95Å; L589-L662 HydrophobicContact CB-CD1 4.42Å; L589-L662 HydrophobicContact CB-CD2 3.7Å; L589-L662 HydrophobicContact CD1-CD1 3.95Å; L590-L662 HydrophobicContact CD2-CD2 3.95Å; L590-L662 HydrophobicContact CG-CD2 3.95Å; L593-L662 HydrophobicContact CD1-CB 4.42Å; L593-L662 HydrophobicContact CD1-CD2 4.15Å; L593-L662 WeakPolarHBondContact CD1-O 3.3Å; E658-L662 WeakPolarHBondContact O-CG 3.24Å; E658-L662 PolarHBondContact O-N 3.33Å; L659-L662 PolarHBondContact O-N 2.94Å; L662-R664 VanDerWaalsContact C-N 3.33Å; L662-R664 PolarHBondContact O-N 2.91Å; L662-E665 PolarHBondContact O-N 3.45Å; L662-G666 PolarHBondContact O-N 3.44Å; L662-I732 HydrophobicContact CD1-CD1 4.04Å; L662-I735 HydrophobicContact CB-CD1 3.98Å; L662-I735 HydrophobicContact CD1-CD1 4.2Å; L662-I735 HydrophobicContact CD2-CD1 4.47Å; L662-I735 HydrophobicContact CG-CD1 4.45Å
663	L	96.9	Very high	91.8	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-60.3	-40.2	177.4	-72.6	170.7	0	0	0	112.7	F640 F645 L647 L659 K661 G666 G667 G668 L670 I731	F640-L663 HydrophobicContact CD2-CD2 4.08Å; F640-L663 HydrophobicContact CE2-CD2 3.97Å; F640-L663 HydrophobicContact CZ-CD2 4.49Å; F645-L663 HydrophobicContact CB-CD1 3.77Å; F645-L663 HydrophobicContact CD1-CD1 4.13Å; F645-L663 HydrophobicContact CD1-CD2 3.65Å; F645-L663 HydrophobicContact CD2-CD1 4.45Å; F645-L663 HydrophobicContact CD2-CD2 3.93Å; F645-L663 HydrophobicContact CE1-CD2 3.65Å; F645-L663 HydrophobicContact CE2-CD2 3.93Å; F645-L663 HydrophobicContact CG-CD1 3.87Å; F645-L663 HydrophobicContact CG-CD2 3.8Å; F645-L663 HydrophobicContact CG-CG 4.36Å; F645-L663 HydrophobicContact CZ-CD2 3.79Å; L647-L663 HydrophobicContact CD2-CD1 3.8Å; L659-L663 WeakPolarHBondContact O-CB 3.27Å; L659-L663 WeakPolarHBondContact O-CG 3.43Å; L659-L663 PolarHBondContact O-N 2.72Å; K661-L663 VanDerWaalsContact C-N 3.28Å; K661-L663 PolarHBondContact O-N 3.46Å; L663-G666 CarbonylContact O-C 3.45Å; L663-G667 PolarHBondContact O-N 3.49Å; L663-G668 VanDerWaalsContact O-CA 3.3Å; L663-G668 WeakPolarHBondContact O-CA 3.39Å; L663-G668 PolarHBondContact O-N 3.28Å; L663-L670 HydrophobicContact CB-CD2 4.02Å; L663-L670 HydrophobicContact CD1-CD2 3.77Å; L663-I731 HydrophobicContact CD1-CD1 4.05Å; L663-I731 HydrophobicContact CD2-CD1 3.93Å; L663-I731 HydrophobicContact CD2-CG1 4.18Å; L663-I731 HydrophobicContact CD2-CG2 3.88Å; L663-I731 HydrophobicContact CG-CD1 4.29Å; L663-I731 HydrophobicContact CG-CG2 4.41Å
664	R	94.3	Very high	92.5	Very high	152 Å²	152	66 Å²	66	57%	0.574	33%	0.331	S	S	*	.	H	α-helix	trans	-71	-43.4	179	-73.2	173.5	-179.4	-73.7	3	113.3	A660 K661 L662 G666 G667 L670	A660-R664 WeakPolarHBondContact O-CD 3.4Å; A660-R664 VanDerWaalsContact O-CG 3.24Å; A660-R664 WeakPolarHBondContact O-CG 3.49Å; A660-R664 PolarHBondContact O-N 3.32Å; K661-R664 PolarHBondContact O-N 3.27Å; L662-R664 VanDerWaalsContact C-N 3.33Å; L662-R664 PolarHBondContact O-N 2.91Å; R664-G666 PolarHBondContact O-N 2.81Å; R664-G667 WeakPolarHBondContact O-CA 3.45Å; R664-G667 PolarHBondContact O-N 2.91Å; R664-L670 HydrophobicContact CG-CD1 4.34Å; R664-L670 HydrophobicContact CG-CG 4.27Å
665	E	93.1	Very high	92.8	Very high	97 Å²	97	64.5 Å²	64.5	45%	0.453	32%	0.322	S	S	.	.	H	α-helix	trans	-67.9	-28.8	178.8	-55.7	-85.9	-168.9	0	0	109.9	L590 K661 L662 G667	L590-E665 HydrophobicContact CD2-CB 4.1Å; L590-E665 HydrophobicContact CD2-CG 3.73Å; K661-E665 HydrophobicContact CD-CG 4.39Å; K661-E665 WeakPolarHBondContact CE-OE1 3.37Å; K661-E665 HydrophobicContact CG-CG 3.68Å; K661-E665 IonicContact NZ-OE1 3.28Å; K661-E665 PolarHBondContact NZ-OE1 2.92Å; K661-E665 VanDerWaalsContact O-CG 3.23Å; K661-E665 WeakPolarHBondContact O-CG 3.44Å; K661-E665 PolarHBondContact O-N 3.18Å; L662-E665 PolarHBondContact O-N 3.45Å; E665-G667 VanDerWaalsContact C-N 3.25Å; E665-G667 PolarHBondContact O-N 3.09Å
666	G	93.8	Very high	92.4	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	7.9	166.6	0	0	0	0	0	115.5	P638 L639 F640 L662 L663 R664 G668	P638-G666 WeakPolarHBondContact CB-O 3.48Å; L639-G666 PolarHBondContact N-O 3.06Å; F640-G666 WeakPolarHBondContact CA-O 3.34Å; F640-G666 WeakPolarHBondContact CB-O 3.39Å; F640-G666 PolarHBondContact N-O 3.33Å; L662-G666 PolarHBondContact O-N 3.44Å; L663-G666 CarbonylContact O-C 3.45Å; R664-G666 PolarHBondContact O-N 2.81Å; G666-G668 PolarHBondContact O-N 3.4Å
667	G	90.8	Very high	91.4	Very high	34 Å²	34	64.7 Å²	64.7	35%	0.351	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.2	-1.7	176.6	0	0	0	0	0	116.6	L663 R664 E665	L663-G667 PolarHBondContact O-N 3.49Å; R664-G667 WeakPolarHBondContact O-CA 3.45Å; R664-G667 PolarHBondContact O-N 2.91Å; E665-G667 VanDerWaalsContact C-N 3.25Å; E665-G667 PolarHBondContact O-N 3.09Å
668	G	93.5	Very high	90.3	Very high	4 Å²	4	62.5 Å²	62.5	4%	0.041	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-75.3	138	-178.9	0	0	0	0	0	113.7	L663 G666	L663-G668 VanDerWaalsContact O-CA 3.3Å; L663-G668 WeakPolarHBondContact O-CA 3.39Å; L663-G668 PolarHBondContact O-N 3.28Å; G666-G668 PolarHBondContact O-N 3.4Å
669	Q	91	Very high	89.4	Confident	117 Å²	117	60.9 Å²	60.9	55%	0.547	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	119.2	-177.5	-175.4	168.1	-9.8	0	0	112.3	C643 F644 F645	C643-Q669 PolarHBondContact O-N 2.96Å; F644-Q669 CarbonylContact C-O 3.58Å; F644-Q669 VanDerWaalsContact CA-O 3.3Å; F644-Q669 WeakPolarHBondContact CA-O 3.45Å; F644-Q669 HydrophobicContact CD1-CB 3.87Å; F644-Q669 HydrophobicContact CD1-CG 4.1Å; F644-Q669 HydrophobicContact CE1-CB 4.15Å; F644-Q669 HydrophobicContact CE1-CG 4.27Å; F645-Q669 PolarHBondContact N-O 3.47Å
670	L	93.9	Very high	87.7	Confident	38 Å²	38	65.6 Å²	65.6	20%	0.199	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	128.8	174.5	-60.6	-173.2	0	0	0	112.5	F645 A660 L663 R664	F645-L670 HydrophobicContact CB-CD2 4.03Å; F645-L670 WeakPolarHBondContact O-CA 3.42Å; A660-L670 HydrophobicContact CB-CD1 3.55Å; L663-L670 HydrophobicContact CB-CD2 4.02Å; L663-L670 HydrophobicContact CD1-CD2 3.77Å; R664-L670 HydrophobicContact CG-CD1 4.34Å; R664-L670 HydrophobicContact CG-CG 4.27Å
671	L	91.8	Very high	86.3	Confident	47 Å²	47	69.9 Å²	69.9	25%	0.246	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-85.9	135.5	172.8	-60	177	0	0	0	110.8	F644 F645 F646 R673 P675	F644-L671 HydrophobicContact CB-CD1 4.1Å; F644-L671 HydrophobicContact CB-CD2 4.2Å; F644-L671 HydrophobicContact CB-CG 4.12Å; F644-L671 HydrophobicContact CD1-CD2 3.99Å; F645-L671 PolarHBondContact O-N 3.37Å; F646-L671 HydrophobicContact CB-CB 4.29Å; F646-L671 HydrophobicContact CD2-CB 4.48Å; L671-R673 VanDerWaalsContact C-N 3.34Å; L671-P675 HydrophobicContact CD1-CB 4.02Å; L671-P675 HydrophobicContact CD1-CG 3.92Å
672	S	89.3	Confident	85	Confident	118 Å²	118	66.9 Å²	66.9	83%	0.825	34%	0.341	S	S	*	.	S	Bend	trans	-84.1	-7.8	176.4	59.4	0	0	0	0	114.1
673	R	89.5	Confident	83.6	Confident	207 Å²	207	67 Å²	67	78%	0.781	34%	0.341	S	S	*	.	S	Bend	trans	-139	148.7	178.6	-63.5	-175.6	177.5	-158.5	-3.8	108.7	F646 L671	F646-R673 WeakPolarHBondContact CD2-O 3.38Å; F646-R673 VanDerWaalsContact CE2-C 3.47Å; L671-R673 VanDerWaalsContact C-N 3.34Å
674	Q	91.1	Very high	82	Confident	96 Å²	96	70.3 Å²	70.3	45%	0.449	36%	0.362	S	S	.	.			trans	-61.6	127.3	177.7	-170.7	173	-2.4	0	0	109.9	F646 K676 I705	F646-Q674 HydrophobicContact CD1-CB 3.85Å; F646-Q674 HydrophobicContact CD1-CG 3.84Å; F646-Q674 HydrophobicContact CD2-CB 4.47Å; F646-Q674 HydrophobicContact CE1-CB 3.61Å; F646-Q674 HydrophobicContact CE1-CG 3.85Å; F646-Q674 HydrophobicContact CE2-CB 4.27Å; F646-Q674 VanDerWaalsContact CE2-N 3.33Å; F646-Q674 HydrophobicContact CG-CB 4.28Å; F646-Q674 HydrophobicContact CZ-CB 3.84Å; Q674-K676 PolarHBondContact O-N 3.04Å; Q674-I705 HydrophobicContact CG-CD1 4.01Å; Q674-I705 HydrophobicContact CG-CG1 4.38Å
675	P	88.6	Confident	80.8	Confident	8 Å²	8	65.8 Å²	65.8	5%	0.052	35%	0.349	C	S	.	.			trans	-64	134.5	173.2	27.1	-33.3	0	0	0	109.1	F646 L671 T682 I705 V723	F646-P675 HydrophobicContact CB-CG 4.45Å; L671-P675 HydrophobicContact CD1-CB 4.02Å; L671-P675 HydrophobicContact CD1-CG 3.92Å; P675-T682 HydrophobicContact CB-CG2 3.88Å; P675-I705 HydrophobicContact CG-CD1 4.23Å; P675-I705 HydrophobicContact CG-CG1 3.79Å; P675-V723 HydrophobicContact CB-CG1 4.28Å; P675-V723 HydrophobicContact CB-CG2 4.06Å; P675-V723 HydrophobicContact CG-CG1 3.8Å; P675-V723 HydrophobicContact CG-CG2 4.47Å
676	K	82.9	Confident	79.5	Confident	125 Å²	125	67.8 Å²	67.8	54%	0.543	36%	0.362	S	S	.	.			trans	-99.3	115.8	-179.8	-86.9	-162	167.5	-146.9	0	109.6	Q674 D678 S679 T682	Q674-K676 PolarHBondContact O-N 3.04Å; K676-D678 WeakPolarHBondContact CB-OD1 3.19Å; K676-D678 PolarHBondContact O-N 2.85Å; K676-S679 PolarHBondContact O-N 2.9Å; K676-S679 VanDerWaalsContact O-N 3.13Å; K676-S679 PolarHBondContact O-OG 3.06Å; K676-T682 PolarHBondContact O-OG1 3.35Å
677	P	71.4	Confident	78.6	Confident	29 Å²	29	68.8 Å²	68.8	19%	0.188	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-32.3	179.7	-26.6	35.7	0	0	0	113.5	Q683 R720 V723	P677-Q683 PolarHBondContact O-NE2 2.76Å; P677-R720 HydrophobicContact CB-CB 3.7Å; P677-R720 HydrophobicContact CG-CB 3.71Å; P677-V723 HydrophobicContact CG-CB 4.32Å; P677-V723 HydrophobicContact CG-CG2 4.44Å
678	D	68.8	Low	78.2	Confident	86 Å²	86	67.9 Å²	67.9	46%	0.46	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-9.4	-179.2	60.2	-57.8	0	0	0	114.8	K676	K676-D678 WeakPolarHBondContact CB-OD1 3.19Å; K676-D678 PolarHBondContact O-N 2.85Å
679	S	74.6	Confident	77.9	Confident	28 Å²	28	68 Å²	68	20%	0.196	36%	0.361	C	S	.	.			trans	-90.4	137.8	-172.4	81.4	0	0	0	0	113.5	K676 V681 T682 Q683	K676-S679 PolarHBondContact O-N 2.9Å; K676-S679 VanDerWaalsContact O-N 3.13Å; K676-S679 PolarHBondContact O-OG 3.06Å; S679-V681 PolarHBondContact O-N 3.39Å; S679-T682 PolarHBondContact O-N 3.36Å; S679-T682 PolarHBondContact O-OG1 3.03Å; S679-T682 WeakPolarHBondContact OG-CG2 3.37Å; S679-T682 PolarHBondContact OG-N 2.94Å; S679-T682 PolarHBondContact OG-OG1 3.15Å; S679-Q683 PolarHBondContact O-N 2.69Å
680	D	58.9	Low	77.6	Confident	98 Å²	98	65.5 Å²	65.5	52%	0.524	35%	0.347	S	S	.	.	H	α-helix	trans	-61	-29.2	176.3	-172.5	36.5	0	0	0	112.5	K71 Q683 T684	K71-D680 VanDerWaalsContact CE-OD1 3.26Å; K71-D680 WeakPolarHBondContact CE-OD1 3.43Å; D680-Q683 PolarHBondContact O-N 3.23Å; D680-T684 WeakPolarHBondContact O-CB 2.93Å; D680-T684 WeakPolarHBondContact O-CG2 3.45Å; D680-T684 PolarHBondContact O-N 3.06Å; D680-T684 PolarHBondContact O-OG1 3.23Å; D680-T684 WeakPolarHBondContact OD1-CG2 3.4Å
681	V	67.4	Low	77.4	Confident	108 Å²	108	65.3 Å²	65.3	66%	0.655	35%	0.345	S	S	*	.	H	α-helix	trans	-63.6	-43.6	177.4	-178.4	0	0	0	0	112.3	S679 Q683 T684 L685	S679-V681 PolarHBondContact O-N 3.39Å; V681-Q683 VanDerWaalsContact C-N 3.28Å; V681-Q683 PolarHBondContact O-N 2.84Å; V681-T684 WeakPolarHBondContact CA-OG1 3.26Å; V681-T684 PolarHBondContact O-OG1 2.79Å; V681-L685 PolarHBondContact O-N 3.09Å
682	T	67.6	Low	77.3	Confident	12 Å²	12	63.7 Å²	63.7	7%	0.074	34%	0.338	C	S	.	.	H	α-helix	trans	-73.6	-21.9	178.2	51.2	0	0	0	0	112.4	P675 K676 S679 Q703	P675-T682 HydrophobicContact CB-CG2 3.88Å; K676-T682 PolarHBondContact O-OG1 3.35Å; S679-T682 PolarHBondContact O-N 3.36Å; S679-T682 PolarHBondContact O-OG1 3.03Å; S679-T682 WeakPolarHBondContact OG-CG2 3.37Å; S679-T682 PolarHBondContact OG-N 2.94Å; S679-T682 PolarHBondContact OG-OG1 3.15Å; T682-Q703 PolarHBondContact O-NE2 3.37Å
683	Q	66.4	Low	76.9	Confident	3 Å²	3	63.6 Å²	63.6	1%	0.014	33%	0.325	C	S	.	.	H	α-helix	trans	-91.2	-25.4	177	-63.1	-174.6	18.2	0	0	113.8	K71 P677 S679 D680 V681 K722	K71-Q683 PolarHBondContact NZ-O 3.12Å; P677-Q683 PolarHBondContact O-NE2 2.76Å; S679-Q683 PolarHBondContact O-N 2.69Å; D680-Q683 PolarHBondContact O-N 3.23Å; V681-Q683 VanDerWaalsContact C-N 3.28Å; V681-Q683 PolarHBondContact O-N 2.84Å; Q683-K722 PolarHBondContact O-NZ 2.94Å; Q683-K722 VanDerWaalsContact O-NZ 3.09Å
684	T	63.1	Low	76.3	Confident	70 Å²	70	60 Å²	60	43%	0.429	33%	0.328	S	S	.	.	H	α-helix	trans	-79.6	-14	172.5	45.2	0	0	0	0	114	K71 D680 V681 N686	K71-T684 VanDerWaalsContact NZ-CG2 3.26Å; D680-T684 WeakPolarHBondContact O-CB 2.93Å; D680-T684 WeakPolarHBondContact O-CG2 3.45Å; D680-T684 PolarHBondContact O-N 3.06Å; D680-T684 PolarHBondContact O-OG1 3.23Å; D680-T684 WeakPolarHBondContact OD1-CG2 3.4Å; V681-T684 WeakPolarHBondContact CA-OG1 3.26Å; V681-T684 PolarHBondContact O-OG1 2.79Å; T684-N686 PolarHBondContact O-N 2.9Å
685	L	68.9	Low	75.4	Confident	57 Å²	57	59.5 Å²	59.5	30%	0.298	35%	0.349	S	S	.	.			trans	-60.1	104.7	168.2	-79.9	169.6	0	0	0	110.6	F644 V681 Q703 K722	F644-L685 HydrophobicContact CZ-CD2 4.37Å; V681-L685 PolarHBondContact O-N 3.09Å; L685-Q703 HydrophobicContact CD1-CG 4.5Å; L685-K722 PolarHBondContact O-NZ 3.12Å
686	N	66.8	Low	75.2	Confident	138 Å²	138	60.7 Å²	60.7	74%	0.738	36%	0.357	S	S	*	.			trans	-93.5	97.3	162.4	-79.3	7.1	0	0	0	107.5	T684	T684-N686 PolarHBondContact O-N 2.9Å
687	A	74.9	Confident	75.3	Confident	22 Å²	22	57.8 Å²	57.8	18%	0.182	35%	0.348	C	S	.	.			trans	-139.8	147.7	169.2	0	0	0	0	0	106.8	F644 T702	F644-A687 HydrophobicContact CE2-CB 3.7Å; F644-A687 HydrophobicContact CZ-CB 4.33Å; A687-T702 WeakPolarHBondContact O-CG2 3.42Å
688	A	82	Confident	76.1	Confident	14 Å²	14	56.8 Å²	56.8	12%	0.116	34%	0.34	C	S	.	.			trans	-124.7	141	178	0	0	0	0	0	110.9	N460 A699	N460-A688 VanDerWaalsContact ND2-CB 3.27Å; N460-A688 WeakPolarHBondContact ND2-CB 3.48Å; N460-A688 WeakPolarHBondContact OD1-CB 3.36Å; A688-A699 WeakPolarHBondContact CA-O 3.37Å; A688-A699 VanDerWaalsContact CB-O 3.3Å; A688-A699 WeakPolarHBondContact CB-O 3.16Å
689	A	86.6	Confident	76.8	Confident	7 Å²	7	53.9 Å²	53.9	6%	0.058	33%	0.328	C	S	.	.			trans	-85.5	111	179.9	0	0	0	0	0	109.8	D641 C643 H691 A692 A699 T702 L740	D641-A689 WeakPolarHBondContact O-CA 3.42Å; C643-A689 WeakPolarHBondContact SG-CB 3.38Å; A689-H691 PolarHBondContact O-N 3.34Å; A689-A692 HydrophobicContact CB-CB 4Å; A689-A692 WeakPolarHBondContact O-CB 3.3Å; A689-A692 PolarHBondContact O-N 3.06Å; A689-A692 VanDerWaalsContact O-N 3.12Å; A689-A699 PolarHBondContact N-O 3.25Å; A689-T702 HydrophobicContact CB-CG2 3.9Å; A689-L740 HydrophobicContact CB-CD2 3.78Å
690	Y	85.3	Confident	77.1	Confident	65 Å²	65	56.4 Å²	56.4	26%	0.255	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-33.7	-174.6	178.5	-88.7	0	0	0	113.2	N454 P456 L636 P637	N454-Y690 WeakPolarHBondContact O-CE2 3.36Å; P456-Y690 HydrophobicContact CG-CD2 4.44Å; L636-Y690 HydrophobicContact CB-CE1 4.43Å; P637-Y690 HydrophobicContact CB-CD1 3.93Å; P637-Y690 HydrophobicContact CB-CD2 4.43Å; P637-Y690 HydrophobicContact CB-CG 3.85Å; P637-Y690 HydrophobicContact CG-CD1 3.95Å; P637-Y690 HydrophobicContact CG-CD2 3.73Å; P637-Y690 HydrophobicContact CG-CE1 4.33Å; P637-Y690 HydrophobicContact CG-CE2 4.1Å; P637-Y690 HydrophobicContact CG-CG 3.64Å
691	H	90	Very high	78.4	Confident	33 Å²	33	51.8 Å²	51.8	15%	0.153	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	4.9	-178.5	-73.9	-80.3	0	0	0	114.5	N631 P637 P638 L639 A689 F738 L740	N631-H691 PolarHBondContact OD1-CE1 2.88Å; N631-H691 PolarHBondContact OD1-NE2 3.33Å; P637-H691 PolarHBondContact O-NE2 2.94Å; P638-H691 PolarHBondContact O-CD2 2.91Å; P638-H691 VanDerWaalsContact O-CD2 3.3Å; L639-H691 VanDerWaalsContact CA-CD2 3.41Å; L639-H691 WeakPolarHBondContact CA-CD2 3.44Å; L639-H691 HydrophobicContact CD1-CB 4.26Å; L639-H691 WeakPolarHBondContact O-CB 3.47Å; L639-H691 PolarHBondContact O-CD2 3.13Å; A689-H691 PolarHBondContact O-N 3.34Å; H691-F738 AromaticContact CE1-CE1 3.73Å; H691-L740 HydrophobicContact CB-CB 4.08Å; H691-L740 WeakPolarHBondContact O-CB 3.3Å
692	A	89.1	Confident	79.5	Confident	14 Å²	14	46.8 Å²	46.8	12%	0.116	28%	0.284	C	S	.	.	S	Bend	trans	-72.2	146.2	172.1	0	0	0	0	0	111.2	A689 Q698 A699 L740	A689-A692 HydrophobicContact CB-CB 4Å; A689-A692 WeakPolarHBondContact O-CB 3.3Å; A689-A692 PolarHBondContact O-N 3.06Å; A689-A692 VanDerWaalsContact O-N 3.12Å; A692-Q698 HydrophobicContact CB-CB 4.13Å; A692-A699 HydrophobicContact CB-CB 3.87Å; A692-L740 HydrophobicContact CB-CD2 4.06Å
693	E	81.8	Confident	80.7	Confident	116 Å²	116	46.3 Å²	46.3	54%	0.542	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-64.5	137.3	175.1	-63.3	-173.3	148.4	0	0	111.1	G695 S696	E693-G695 PolarHBondContact O-N 2.92Å; E693-S696 VanDerWaalsContact O-CB 3.27Å; E693-S696 WeakPolarHBondContact O-CB 3.33Å; E693-S696 PolarHBondContact O-N 3.25Å
694	P	76.1	Confident	82.1	Confident	131 Å²	131	46.1 Å²	46.1	85%	0.851	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	121.4	177.8	-26.4	35.2	0	0	0	112
695	G	72.4	Confident	83.6	Confident	85 Å²	85	43.2 Å²	43.2	88%	0.876	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.3	-8.7	-176.1	0	0	0	0	0	115.1	E693	E693-G695 PolarHBondContact O-N 2.92Å
696	S	84.4	Confident	84.9	Confident	34 Å²	34	40.5 Å²	40.5	24%	0.238	25%	0.248	C	C	.	.			trans	-69.9	139.7	170.6	176.1	0	0	0	0	111.3	E693 Q698 A699	E693-S696 VanDerWaalsContact O-CB 3.27Å; E693-S696 WeakPolarHBondContact O-CB 3.33Å; E693-S696 PolarHBondContact O-N 3.25Å; S696-Q698 PolarHBondContact O-N 3.19Å; S696-Q698 VanDerWaalsContact O-N 3.07Å; S696-Q698 PolarHBondContact OG-N 2.97Å; S696-Q698 PolarHBondContact OG-OE1 2.82Å; S696-A699 VanDerWaalsContact O-CB 3.27Å; S696-A699 WeakPolarHBondContact O-CB 3.31Å; S696-A699 PolarHBondContact O-N 2.96Å
697	D	84.7	Confident	86.2	Confident	64 Å²	64	35 Å²	35	34%	0.342	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-52.7	-28.6	170.5	-98.2	-45.1	0	0	0	112.3	A699 L700 C701 R719 W724	D697-A699 PolarHBondContact O-N 3.39Å; D697-L700 PolarHBondContact O-N 2.82Å; D697-L700 VanDerWaalsContact O-N 3.13Å; D697-C701 WeakPolarHBondContact O-CB 3.37Å; D697-C701 PolarHBondContact O-N 3.22Å; D697-C701 PolarHBondContact O-SG 3.32Å; D697-C701 VanDerWaalsContact O-SG 3.42Å; D697-R719 VanDerWaalsContact CG-NH1 3.32Å; D697-R719 IonicContact OD1-CZ 2.72Å; D697-R719 IonicContact OD1-NH1 2.8Å; D697-R719 PolarHBondContact OD1-NH1 3.23Å; D697-R719 IonicContact OD1-NH2 3.68Å; D697-R719 IonicContact OD2-CZ 3.12Å; D697-R719 IonicContact OD2-NE 3.77Å; D697-R719 IonicContact OD2-NH1 3.59Å; D697-R719 PolarHBondContact OD2-NH1 2.84Å; D697-R719 IonicContact OD2-NH2 2.75Å; D697-R719 PolarHBondContact OD2-NH2 2.9Å; D697-W724 HydrophobicContact CB-CH2 4.23Å; D697-W724 HydrophobicContact CB-CZ2 3.84Å
698	Q	88	Confident	87.1	Confident	7 Å²	7	34.5 Å²	34.5	3%	0.033	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-62	-22.2	177.7	-67.3	169.9	-92.2	0	0	113.1	A692 S696 L700 W724 L740 L741	A692-Q698 HydrophobicContact CB-CB 4.13Å; S696-Q698 PolarHBondContact O-N 3.19Å; S696-Q698 VanDerWaalsContact O-N 3.07Å; S696-Q698 PolarHBondContact OG-N 2.97Å; S696-Q698 PolarHBondContact OG-OE1 2.82Å; Q698-L700 PolarHBondContact O-N 3.49Å; Q698-W724 HydrophobicContact CB-CZ2 4.41Å; Q698-W724 HydrophobicContact CG-CH2 4.12Å; Q698-W724 HydrophobicContact CG-CZ2 3.42Å; Q698-W724 VanDerWaalsContact CG-CZ2 3.42Å; Q698-L740 HydrophobicContact CB-CD2 4.48Å; Q698-L741 PolarHBondContact NE2-O 3.47Å
699	A	83.5	Confident	87.5	Confident	25 Å²	25	36.7 Å²	36.7	21%	0.207	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-65.8	-24.5	176	0	0	0	0	0	113	A688 A689 A692 S696 D697	A688-A699 WeakPolarHBondContact CA-O 3.37Å; A688-A699 VanDerWaalsContact CB-O 3.3Å; A688-A699 WeakPolarHBondContact CB-O 3.16Å; A689-A699 PolarHBondContact N-O 3.25Å; A692-A699 HydrophobicContact CB-CB 3.87Å; S696-A699 VanDerWaalsContact O-CB 3.27Å; S696-A699 WeakPolarHBondContact O-CB 3.31Å; S696-A699 PolarHBondContact O-N 2.96Å; D697-A699 PolarHBondContact O-N 3.39Å
700	L	80.8	Confident	87.5	Confident	81 Å²	81	42.3 Å²	42.3	42%	0.424	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125.1	-19.6	-178.8	-61.4	177.1	0	0	0	113.8	L491 D697 Q698 T702	L491-L700 HydrophobicContact CD1-CD2 4.36Å; D697-L700 PolarHBondContact O-N 2.82Å; D697-L700 VanDerWaalsContact O-N 3.13Å; Q698-L700 PolarHBondContact O-N 3.49Å; L700-T702 PolarHBondContact O-N 3.41Å
701	C	86.9	Confident	87.5	Confident	1 Å²	1	40.7 Å²	40.7	1%	0.007	25%	0.253	C	S	.	.			trans	-96.4	70.3	173.7	-58.9	0	0	0	0	109.2	D697 Q703 R719 K722 W724	D697-C701 WeakPolarHBondContact O-CB 3.37Å; D697-C701 PolarHBondContact O-N 3.22Å; D697-C701 PolarHBondContact O-SG 3.32Å; D697-C701 VanDerWaalsContact O-SG 3.42Å; C701-Q703 PolarHBondContact O-N 3.26Å; C701-R719 PolarHBondContact SG-NH1 3.46Å; C701-R719 VanDerWaalsContact SG-NH1 3.45Å; C701-K722 CarbonylContact C-O 3.48Å; C701-K722 HydrophobicContact CB-CB 4.46Å; C701-W724 HydrophobicContact CB-CZ2 4.47Å; C701-W724 PolarHBondContact O-NE1 3.44Å
702	T	90.6	Very high	87.3	Confident	3 Å²	3	46.6 Å²	46.6	2%	0.018	29%	0.291	C	S	.	.			trans	-91	13.3	-167.7	74.1	0	0	0	0	115	G642 C643 F644 A687 A689 L700 Y704	G642-T702 WeakPolarHBondContact O-CB 3.3Å; G642-T702 PolarHBondContact O-OG1 3.34Å; C643-T702 CarbonylContact C-O 3.48Å; C643-T702 WeakPolarHBondContact CA-O 3.28Å; F644-T702 PolarHBondContact N-O 3.09Å; A687-T702 WeakPolarHBondContact O-CG2 3.42Å; A689-T702 HydrophobicContact CB-CG2 3.9Å; L700-T702 PolarHBondContact O-N 3.41Å; T702-Y704 WeakPolarHBondContact O-CD2 3.23Å; T702-Y704 WeakPolarHBondContact O-CE2 3.35Å
703	Q	92.3	Very high	87.1	Confident	2 Å²	2	50.1 Å²	50.1	1%	0.009	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	132.6	-179.1	-70.7	158.2	73.4	0	0	111.4	F644 T682 L685 C701 K722 V723 W724	F644-Q703 HydrophobicContact CB-CG 4Å; F644-Q703 HydrophobicContact CD2-CG 4.4Å; F644-Q703 HydrophobicContact CG-CG 4.48Å; F644-Q703 CarbonylContact O-C 3.49Å; F644-Q703 WeakPolarHBondContact O-CA 3.36Å; T682-Q703 PolarHBondContact O-NE2 3.37Å; L685-Q703 HydrophobicContact CD1-CG 4.5Å; C701-Q703 PolarHBondContact O-N 3.26Å; Q703-K722 PolarHBondContact N-O 3.46Å; Q703-V723 HydrophobicContact CB-CG2 4.13Å; Q703-V723 CarbonylContact O-C 3.49Å; Q703-V723 WeakPolarHBondContact O-CA 3.36Å; Q703-W724 PolarHBondContact O-N 2.88Å
704	Y	95.3	Very high	87.3	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	121.5	-173.7	-59.2	-89.6	0	0	0	111.5	C643 F644 F645 F646 T702 W724 W730 V743	C643-Y704 HydrophobicContact CB-CD2 4.37Å; C643-Y704 HydrophobicContact CB-CE2 4.04Å; F644-Y704 PolarHBondContact O-N 3.4Å; F645-Y704 CarbonylContact C-O 3.58Å; F645-Y704 WeakPolarHBondContact CA-O 3.46Å; F645-Y704 HydrophobicContact CD1-CD2 4.14Å; F645-Y704 HydrophobicContact CD1-CG 4.2Å; F645-Y704 AromaticContact CE1-CD2 3.75Å; F645-Y704 HydrophobicContact CE1-CD2 3.75Å; F645-Y704 AromaticContact CE1-CG 4Å; F645-Y704 HydrophobicContact CE1-CG 4Å; F645-Y704 HydrophobicContact CZ-CD2 4.13Å; F646-Y704 PolarHBondContact N-O 2.87Å; T702-Y704 WeakPolarHBondContact O-CD2 3.23Å; T702-Y704 WeakPolarHBondContact O-CE2 3.35Å; Y704-W724 HydrophobicContact CD1-CB 3.66Å; Y704-W724 AromaticContact CD1-CD1 3.81Å; Y704-W724 AromaticContact CD1-CG 3.92Å; Y704-W724 HydrophobicContact CD1-CG 3.92Å; Y704-W724 HydrophobicContact CE1-CB 3.98Å; Y704-W724 AromaticContact CE1-CD1 3.37Å; Y704-W724 HydrophobicContact CE1-CD2 4.5Å; Y704-W724 AromaticContact CE1-CG 3.71Å; Y704-W724 HydrophobicContact CE1-CG 3.71Å; Y704-W724 AromaticContact CE1-NE1 3.98Å; Y704-W724 AromaticContact CZ-CD1 3.82Å; Y704-W730 AromaticContact CD1-CH2 3.49Å; Y704-W730 HydrophobicContact CD1-CH2 3.49Å; Y704-W730 VanDerWaalsContact CD1-CH2 3.49Å; Y704-W730 HydrophobicContact CD1-CZ2 4.31Å; Y704-W730 AromaticContact CD1-CZ3 3.8Å; Y704-W730 HydrophobicContact CD1-CZ3 3.8Å; Y704-W730 AromaticContact CE1-CH2 3.41Å; Y704-W730 HydrophobicContact CE1-CH2 3.41Å; Y704-W730 VanDerWaalsContact CE1-CH2 3.41Å; Y704-W730 AromaticContact CE1-CZ2 3.9Å; Y704-W730 HydrophobicContact CE1-CZ2 3.9Å; Y704-W730 HydrophobicContact CE1-CZ3 4.2Å; Y704-W730 HydrophobicContact CE2-CH2 4.46Å; Y704-W730 HydrophobicContact CG-CH2 4.11Å; Y704-W730 HydrophobicContact CG-CZ3 4.24Å; Y704-W730 AromaticContact CZ-CH2 3.95Å; Y704-V743 HydrophobicContact CD1-CG2 4.38Å; Y704-V743 HydrophobicContact CE1-CG2 3.96Å
705	I	95.3	Very high	87.8	Confident	8 Å²	8	47.7 Å²	47.7	4%	0.041	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	116.5	165.3	-64.8	169.5	0	0	0	107.2	L648 Q674 P675 V723 W724 S725 A726	L648-I705 HydrophobicContact CB-CG2 4.01Å; L648-I705 HydrophobicContact CD2-CG2 3.89Å; Q674-I705 HydrophobicContact CG-CD1 4.01Å; Q674-I705 HydrophobicContact CG-CG1 4.38Å; P675-I705 HydrophobicContact CG-CD1 4.23Å; P675-I705 HydrophobicContact CG-CG1 3.79Å; I705-V723 HydrophobicContact CD1-CG1 3.64Å; I705-V723 HydrophobicContact CG1-CG1 3.8Å; I705-W724 PolarHBondContact N-O 2.82Å; I705-S725 CarbonylContact O-C 3.47Å; I705-S725 VanDerWaalsContact O-CA 3.31Å; I705-S725 WeakPolarHBondContact O-CA 3.48Å; I705-A726 PolarHBondContact O-N 2.87Å
706	I	96.2	Very high	88.3	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	125.7	-173.9	-55.6	-59.2	0	0	0	109.3	F645 F646 L647 L648 F651 L659 A726 W730 I731	F645-I706 HydrophobicContact CD1-CD1 4.1Å; F645-I706 HydrophobicContact CD1-CG1 4.04Å; F646-I706 PolarHBondContact O-N 2.86Å; L647-I706 HydrophobicContact CD2-CB 3.68Å; L647-I706 HydrophobicContact CD2-CG1 4.08Å; L647-I706 HydrophobicContact CD2-CG2 3.79Å; L648-I706 WeakPolarHBondContact CB-O 3.05Å; L648-I706 PolarHBondContact N-O 3.43Å; F651-I706 HydrophobicContact CE1-CG2 4.14Å; F651-I706 HydrophobicContact CZ-CG2 4.32Å; L659-I706 HydrophobicContact CD2-CG2 4.02Å; I706-A726 WeakPolarHBondContact CA-O 3.42Å; I706-A726 HydrophobicContact CD1-CB 4.08Å; I706-W730 HydrophobicContact CD1-CE3 4.31Å; I706-W730 HydrophobicContact CD1-CZ3 4.11Å; I706-I731 HydrophobicContact CB-CD1 4.31Å; I706-I731 HydrophobicContact CD1-CD1 3.75Å; I706-I731 HydrophobicContact CD1-CG1 4.22Å; I706-I731 HydrophobicContact CG1-CD1 3.82Å; I706-I731 HydrophobicContact CG2-CD1 3.56Å
707	Y	94	Very high	88.3	Confident	24 Å²	24	50.2 Å²	50.2	9%	0.094	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	156.7	-179.2	62.5	-87.9	0	0	0	112.2	Y713 P715 A726 P727 S728	Y707-Y713 AromaticContact CD1-CD1 3.96Å; Y707-Y713 HydrophobicContact CD1-CD1 3.96Å; Y707-Y713 AromaticContact CD1-CE1 3.98Å; Y707-Y713 HydrophobicContact CD1-CE1 3.98Å; Y707-Y713 HydrophobicContact CD2-CD1 4.19Å; Y707-Y713 HydrophobicContact CE1-CE1 4.49Å; Y707-Y713 AromaticContact CG-CD1 3.72Å; Y707-Y713 HydrophobicContact CG-CD1 3.72Å; Y707-Y713 HydrophobicContact CG-CE1 4.23Å; Y707-P715 HydrophobicContact CE1-CG 3.92Å; Y707-P715 WeakPolarHBondContact OH-CD 3.32Å; Y707-A726 WeakPolarHBondContact CD1-O 3.35Å; Y707-A726 WeakPolarHBondContact CE1-O 3.36Å; Y707-A726 PolarHBondContact N-O 3.19Å; Y707-A726 VanDerWaalsContact N-O 3.11Å; Y707-P727 HydrophobicContact CE2-CB 4.16Å; Y707-P727 CarbonylContact O-C 3.52Å; Y707-P727 WeakPolarHBondContact O-CA 3.33Å; Y707-S728 PolarHBondContact O-N 2.85Å
708	D	93.3	Very high	88.5	Confident	10 Å²	10	48.2 Å²	48.2	5%	0.053	28%	0.275	C	S	.	.			trans	-75.1	121.6	170.1	-176.6	-10.2	0	0	0	109.3	F651 K652 Q710 G711	F651-D708 WeakPolarHBondContact CA-OD2 3.41Å; F651-D708 HydrophobicContact CB-CB 4.5Å; F651-D708 HydrophobicContact CD1-CB 3.79Å; F651-D708 HydrophobicContact CE1-CB 4.33Å; F651-D708 HydrophobicContact CG-CB 4.33Å; K652-D708 WeakPolarHBondContact CB-OD2 3.31Å; K652-D708 PolarHBondContact N-OD2 3.1Å; D708-Q710 PolarHBondContact O-N 3.32Å; D708-Q710 WeakPolarHBondContact OD1-CB 3.49Å; D708-Q710 PolarHBondContact OD1-N 3.19Å; D708-G711 WeakPolarHBondContact O-CA 3.34Å; D708-G711 PolarHBondContact O-N 3.26Å
709	P	90.3	Very high	88.5	Confident	60 Å²	60	50 Å²	50	39%	0.39	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-17.4	176.2	26.6	-34.6	0	0	0	113.6	G711 P727 S728 T729	P709-G711 VanDerWaalsContact C-N 3.32Å; P709-P727 HydrophobicContact CB-CB 4.07Å; P709-P727 HydrophobicContact CG-CB 4.22Å; P709-S728 WeakPolarHBondContact CD-OG 3.42Å; P709-T729 HydrophobicContact CG-CG2 4.24Å
710	Q	88.1	Confident	88.5	Confident	125 Å²	125	53 Å²	53	58%	0.584	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	6.8	170.4	-55.4	-174.4	7.2	0	0	113.3	K652 D708	K652-Q710 HydrophobicContact CD-CB 3.96Å; K652-Q710 PolarHBondContact NZ-O 2.85Å; D708-Q710 PolarHBondContact O-N 3.32Å; D708-Q710 WeakPolarHBondContact OD1-CB 3.49Å; D708-Q710 PolarHBondContact OD1-N 3.19Å
711	G	85.6	Confident	88.5	Confident	32 Å²	32	49.5 Å²	49.5	33%	0.33	27%	0.271	S	S	.	.	S	Bend	trans	-81.5	178.4	175.7	0	0	0	0	0	113.5	D708 P709	D708-G711 WeakPolarHBondContact O-CA 3.34Å; D708-G711 PolarHBondContact O-N 3.26Å; P709-G711 VanDerWaalsContact C-N 3.32Å
712	T	84.4	Confident	88.3	Confident	156 Å²	156	50.1 Å²	50.1	96%	0.957	27%	0.273	S	S	*	.	S	Bend	trans	-83.9	-11.9	173.2	50.4	0	0	0	0	113.3
713	Y	86.4	Confident	88.3	Confident	88 Å²	88	50.1 Å²	50.1	35%	0.345	27%	0.273	S	S	.	.			trans	-85.4	121.3	178.8	-177.6	-96.1	0	0	0	110.6	L648 Y707 P715	L648-Y713 HydrophobicContact CD2-CD1 3.78Å; L648-Y713 HydrophobicContact CD2-CD2 3.96Å; L648-Y713 HydrophobicContact CD2-CE1 3.86Å; L648-Y713 HydrophobicContact CD2-CE2 4.05Å; L648-Y713 HydrophobicContact CD2-CG 3.82Å; Y707-Y713 AromaticContact CD1-CD1 3.96Å; Y707-Y713 HydrophobicContact CD1-CD1 3.96Å; Y707-Y713 AromaticContact CD1-CE1 3.98Å; Y707-Y713 HydrophobicContact CD1-CE1 3.98Å; Y707-Y713 HydrophobicContact CD2-CD1 4.19Å; Y707-Y713 HydrophobicContact CE1-CE1 4.49Å; Y707-Y713 AromaticContact CG-CD1 3.72Å; Y707-Y713 HydrophobicContact CG-CD1 3.72Å; Y707-Y713 HydrophobicContact CG-CE1 4.23Å; Y713-P715 HydrophobicContact CE1-CB 4.3Å
714	K	85.7	Confident	88.3	Confident	174 Å²	174	51.1 Å²	51.1	76%	0.757	28%	0.277	S	S	*	.			trans	-124.5	128.4	164.7	-63.9	-171.3	176.7	-170.4	0	108.2
715	P	86.6	Confident	88.3	Confident	23 Å²	23	51.6 Å²	51.6	15%	0.149	28%	0.28	C	S	.	.			trans	-69	142.4	174.9	29.8	-34	0	0	0	109.9	Y707 Y713 V718	Y707-P715 HydrophobicContact CE1-CG 3.92Å; Y707-P715 WeakPolarHBondContact OH-CD 3.32Å; Y713-P715 HydrophobicContact CE1-CB 4.3Å; P715-V718 HydrophobicContact CG-CG1 4.34Å
716	A	82.9	Confident	88.3	Confident	96 Å²	96	51.2 Å²	51.2	79%	0.793	28%	0.278	S	S	*	.	S	Bend	trans	-84.2	-14.3	172.6	0	0	0	0	0	113
717	V	84.3	Confident	88.3	Confident	75 Å²	75	51.8 Å²	51.8	46%	0.455	28%	0.282	S	S	.	.	S	Bend	trans	-150.6	129.6	172.1	-170.1	0	0	0	0	106.5	R719	V717-R719 VanDerWaalsContact CG1-O 3.3Å; V717-R719 WeakPolarHBondContact CG1-O 3.17Å; V717-R719 PolarHBondContact O-N 3.34Å
718	V	88.2	Confident	88.3	Confident	22 Å²	22	51 Å²	51	13%	0.133	28%	0.28	C	S	.	.	S	Bend	trans	-73	-11	-175.3	-66.4	0	0	0	0	114.9	P715 W724 S725 V743 P744 E745	P715-V718 HydrophobicContact CG-CG1 4.34Å; V718-W724 CarbonylContact O-C 3.59Å; V718-W724 VanDerWaalsContact O-CA 3.25Å; V718-W724 WeakPolarHBondContact O-CA 3.2Å; V718-S725 PolarHBondContact O-N 2.98Å; V718-V743 HydrophobicContact CB-CG1 4.4Å; V718-P744 WeakPolarHBondContact CG1-O 3.18Å; V718-E745 VanDerWaalsContact CG1-OXT 3.27Å; V718-E745 WeakPolarHBondContact CG1-OXT 2.97Å
719	R	88.1	Confident	88.4	Confident	45 Å²	45	53.7 Å²	53.7	17%	0.17	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	142.1	171.1	-170	178.1	60.3	127.5	-10.7	112.4	D697 C701 V717 G721 V723 W724	D697-R719 VanDerWaalsContact CG-NH1 3.32Å; D697-R719 IonicContact OD1-CZ 2.72Å; D697-R719 IonicContact OD1-NH1 2.8Å; D697-R719 PolarHBondContact OD1-NH1 3.23Å; D697-R719 IonicContact OD1-NH2 3.68Å; D697-R719 IonicContact OD2-CZ 3.12Å; D697-R719 IonicContact OD2-NE 3.77Å; D697-R719 IonicContact OD2-NH1 3.59Å; D697-R719 PolarHBondContact OD2-NH1 2.84Å; D697-R719 IonicContact OD2-NH2 2.75Å; D697-R719 PolarHBondContact OD2-NH2 2.9Å; C701-R719 PolarHBondContact SG-NH1 3.46Å; C701-R719 VanDerWaalsContact SG-NH1 3.45Å; V717-R719 VanDerWaalsContact CG1-O 3.3Å; V717-R719 WeakPolarHBondContact CG1-O 3.17Å; V717-R719 PolarHBondContact O-N 3.34Å; R719-G721 WeakPolarHBondContact CG-O 3.47Å; R719-V723 WeakPolarHBondContact CA-O 3.45Å; R719-W724 HydrophobicContact CB-CD2 4.12Å; R719-W724 HydrophobicContact CB-CE3 3.71Å; R719-W724 HydrophobicContact CB-CZ3 3.98Å; R719-W724 HydrophobicContact CG-CD2 4.01Å; R719-W724 HydrophobicContact CG-CE3 4.1Å; R719-W724 HydrophobicContact CG-CG 4.45Å; R719-W724 HydrophobicContact CG-CZ3 4.44Å
720	R	83.4	Confident	88.7	Confident	89 Å²	89	51.1 Å²	51.1	34%	0.336	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	113.3	169.2	-63.9	176.8	174.9	-118.7	-4.2	108.8	G58 D59 P677 K722 V723	G58-R720 CarbonylContact O-C 3.54Å; G58-R720 WeakPolarHBondContact O-CA 3.49Å; D59-R720 VanDerWaalsContact OD1-CD 3.24Å; D59-R720 WeakPolarHBondContact OD1-CD 3.39Å; D59-R720 WeakPolarHBondContact OD1-CG 3.45Å; D59-R720 IonicContact OD1-CZ 2.76Å; D59-R720 VanDerWaalsContact OD1-CZ 3.28Å; D59-R720 IonicContact OD1-NE 3.98Å; D59-R720 IonicContact OD1-NH1 2.78Å; D59-R720 PolarHBondContact OD1-NH1 3.17Å; D59-R720 IonicContact OD2-CZ 3.71Å; D59-R720 IonicContact OD2-NH1 2.67Å; D59-R720 PolarHBondContact OD2-NH1 2.66Å; D59-R720 IonicContact OD2-NH2 2.69Å; P677-R720 HydrophobicContact CB-CB 3.7Å; P677-R720 HydrophobicContact CG-CB 3.71Å; R720-K722 PolarHBondContact O-N 3.28Å; R720-V723 PolarHBondContact N-O 3.46Å; R720-V723 WeakPolarHBondContact O-CB 3.49Å; R720-V723 PolarHBondContact O-N 3.44Å
721	G	80.4	Confident	89.1	Confident	6 Å²	6	45.1 Å²	45.1	6%	0.062	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.3	-126.2	-172.3	0	0	0	0	0	112	G58 R719 V723	G58-G721 PolarHBondContact O-N 3.33Å; R719-G721 WeakPolarHBondContact CG-O 3.47Å; G721-V723 VanDerWaalsContact C-N 3.28Å; G721-V723 PolarHBondContact O-N 3.14Å
722	K	83.6	Confident	89.5	Confident	15 Å²	15	44.5 Å²	44.5	7%	0.065	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	3.1	175	-74.5	-174.3	172.4	172.2	0	114.6	Q683 L685 C701 Q703 R720	Q683-K722 PolarHBondContact O-NZ 2.94Å; Q683-K722 VanDerWaalsContact O-NZ 3.09Å; L685-K722 PolarHBondContact O-NZ 3.12Å; C701-K722 CarbonylContact C-O 3.48Å; C701-K722 HydrophobicContact CB-CB 4.46Å; Q703-K722 PolarHBondContact N-O 3.46Å; R720-K722 PolarHBondContact O-N 3.28Å
723	V	90.1	Very high	90.1	Very high	3 Å²	3	40.8 Å²	40.8	2%	0.018	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	117.5	-171.2	-172.2	0	0	0	0	111.2	P675 P677 Q703 I705 R719 R720 G721	P675-V723 HydrophobicContact CB-CG1 4.28Å; P675-V723 HydrophobicContact CB-CG2 4.06Å; P675-V723 HydrophobicContact CG-CG1 3.8Å; P675-V723 HydrophobicContact CG-CG2 4.47Å; P677-V723 HydrophobicContact CG-CB 4.32Å; P677-V723 HydrophobicContact CG-CG2 4.44Å; Q703-V723 HydrophobicContact CB-CG2 4.13Å; Q703-V723 CarbonylContact O-C 3.49Å; Q703-V723 WeakPolarHBondContact O-CA 3.36Å; I705-V723 HydrophobicContact CD1-CG1 3.64Å; I705-V723 HydrophobicContact CG1-CG1 3.8Å; R719-V723 WeakPolarHBondContact CA-O 3.45Å; R720-V723 PolarHBondContact N-O 3.46Å; R720-V723 WeakPolarHBondContact O-CB 3.49Å; R720-V723 PolarHBondContact O-N 3.44Å; G721-V723 VanDerWaalsContact C-N 3.28Å; G721-V723 PolarHBondContact O-N 3.14Å
724	W	93.1	Very high	90.6	Very high	23 Å²	23	36.6 Å²	36.6	9%	0.087	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	159.7	170	-57.4	89.3	0	0	0	111.8	D697 Q698 C701 Q703 Y704 I705 V718 R719 V743	D697-W724 HydrophobicContact CB-CH2 4.23Å; D697-W724 HydrophobicContact CB-CZ2 3.84Å; Q698-W724 HydrophobicContact CB-CZ2 4.41Å; Q698-W724 HydrophobicContact CG-CH2 4.12Å; Q698-W724 HydrophobicContact CG-CZ2 3.42Å; Q698-W724 VanDerWaalsContact CG-CZ2 3.42Å; C701-W724 HydrophobicContact CB-CZ2 4.47Å; C701-W724 PolarHBondContact O-NE1 3.44Å; Q703-W724 PolarHBondContact O-N 2.88Å; Y704-W724 HydrophobicContact CD1-CB 3.66Å; Y704-W724 AromaticContact CD1-CD1 3.81Å; Y704-W724 AromaticContact CD1-CG 3.92Å; Y704-W724 HydrophobicContact CD1-CG 3.92Å; Y704-W724 HydrophobicContact CE1-CB 3.98Å; Y704-W724 AromaticContact CE1-CD1 3.37Å; Y704-W724 HydrophobicContact CE1-CD2 4.5Å; Y704-W724 AromaticContact CE1-CG 3.71Å; Y704-W724 HydrophobicContact CE1-CG 3.71Å; Y704-W724 AromaticContact CE1-NE1 3.98Å; Y704-W724 AromaticContact CZ-CD1 3.82Å; I705-W724 PolarHBondContact N-O 2.82Å; V718-W724 CarbonylContact O-C 3.59Å; V718-W724 VanDerWaalsContact O-CA 3.25Å; V718-W724 WeakPolarHBondContact O-CA 3.2Å; R719-W724 HydrophobicContact CB-CD2 4.12Å; R719-W724 HydrophobicContact CB-CE3 3.71Å; R719-W724 HydrophobicContact CB-CZ3 3.98Å; R719-W724 HydrophobicContact CG-CD2 4.01Å; R719-W724 HydrophobicContact CG-CE3 4.1Å; R719-W724 HydrophobicContact CG-CG 4.45Å; R719-W724 HydrophobicContact CG-CZ3 4.44Å; W724-V743 HydrophobicContact CB-CG2 4.27Å; W724-V743 HydrophobicContact CD2-CB 4.37Å; W724-V743 HydrophobicContact CD2-CG2 3.83Å; W724-V743 HydrophobicContact CE3-CB 3.71Å; W724-V743 HydrophobicContact CE3-CG1 4.15Å; W724-V743 HydrophobicContact CE3-CG2 3.69Å; W724-V743 HydrophobicContact CG-CG2 4.09Å; W724-V743 HydrophobicContact CZ3-CB 4.09Å; W724-V743 HydrophobicContact CZ3-CG2 4.31Å
725	S	94.3	Very high	91.2	Very high	10 Å²	10	28.3 Å²	28.3	7%	0.07	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	117.5	162.6	-59.9	0	0	0	0	108.2	I705 V718	I705-S725 CarbonylContact O-C 3.47Å; I705-S725 VanDerWaalsContact O-CA 3.31Å; I705-S725 WeakPolarHBondContact O-CA 3.48Å; V718-S725 PolarHBondContact O-N 2.98Å
726	A	95.8	Very high	91.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	145.3	-175.1	0	0	0	0	0	111.9	I705 I706 Y707 W730 V743	I705-A726 PolarHBondContact O-N 2.87Å; I706-A726 WeakPolarHBondContact CA-O 3.42Å; I706-A726 HydrophobicContact CD1-CB 4.08Å; Y707-A726 WeakPolarHBondContact CD1-O 3.35Å; Y707-A726 WeakPolarHBondContact CE1-O 3.36Å; Y707-A726 PolarHBondContact N-O 3.19Å; Y707-A726 VanDerWaalsContact N-O 3.11Å; A726-W730 HydrophobicContact CB-CD2 3.98Å; A726-W730 HydrophobicContact CB-CE3 3.58Å; A726-W730 HydrophobicContact CB-CG 4.42Å; A726-W730 HydrophobicContact CB-CZ3 4.12Å; A726-V743 HydrophobicContact CB-CG1 3.81Å; A726-V743 HydrophobicContact CB-CG2 4.45Å
727	P	95.3	Very high	92.3	Very high	11 Å²	11	25 Å²	25	7%	0.071	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	154.2	175.3	31	-35.3	0	0	0	111.1	Y707 P709 T729 W730 P744	Y707-P727 HydrophobicContact CE2-CB 4.16Å; Y707-P727 CarbonylContact O-C 3.52Å; Y707-P727 WeakPolarHBondContact O-CA 3.33Å; P709-P727 HydrophobicContact CB-CB 4.07Å; P709-P727 HydrophobicContact CG-CB 4.22Å; P727-T729 PolarHBondContact O-N 3.32Å; P727-W730 HydrophobicContact CG-CB 4.14Å; P727-W730 WeakPolarHBondContact O-CB 3.47Å; P727-W730 PolarHBondContact O-N 2.9Å; P727-W730 VanDerWaalsContact O-N 3.14Å; P727-P744 HydrophobicContact CG-CG 3.87Å
728	S	95	Very high	92.9	Very high	9 Å²	9	21.8 Å²	21.8	6%	0.063	12%	0.117	C	C	.	.	H	α-helix	trans	-62.2	-24	178.5	57.1	0	0	0	0	114	Y707 P709 I731	Y707-S728 PolarHBondContact O-N 2.85Å; P709-S728 WeakPolarHBondContact CD-OG 3.42Å; S728-I731 PolarHBondContact O-N 2.67Å
729	T	94.8	Very high	93.2	Very high	66 Å²	66	21.9 Å²	21.9	41%	0.405	12%	0.118	S	C	.	.	H	α-helix	trans	-61.8	-42.9	173.7	45.8	0	0	0	0	111.8	P709 P727 I731 I732 D733	P709-T729 HydrophobicContact CG-CG2 4.24Å; P727-T729 PolarHBondContact O-N 3.32Å; T729-I731 PolarHBondContact O-N 3.31Å; T729-I731 VanDerWaalsContact O-N 3.07Å; T729-I732 CarbonylContact O-C 3.38Å; T729-I732 WeakPolarHBondContact O-CA 3.33Å; T729-I732 VanDerWaalsContact O-CB 3.29Å; T729-I732 WeakPolarHBondContact O-CB 3.29Å; T729-I732 PolarHBondContact O-N 2.87Å; T729-D733 VanDerWaalsContact C-OD2 3.24Å; T729-D733 VanDerWaalsContact O-CG 3.24Å; T729-D733 PolarHBondContact O-N 3.47Å
730	W	96.4	Very high	93.6	Very high	5 Å²	5	19.9 Å²	19.9	2%	0.019	11%	0.111	C	C	.	.	H	α-helix	trans	-55.5	-32.1	179.5	166.8	84.7	0	0	0	113	F645 Y704 I706 A726 P727 C734 L740 L741 P742 V743	F645-W730 HydrophobicContact CE1-CH2 4.45Å; F645-W730 HydrophobicContact CE1-CZ3 4.17Å; Y704-W730 AromaticContact CD1-CH2 3.49Å; Y704-W730 HydrophobicContact CD1-CH2 3.49Å; Y704-W730 VanDerWaalsContact CD1-CH2 3.49Å; Y704-W730 HydrophobicContact CD1-CZ2 4.31Å; Y704-W730 AromaticContact CD1-CZ3 3.8Å; Y704-W730 HydrophobicContact CD1-CZ3 3.8Å; Y704-W730 AromaticContact CE1-CH2 3.41Å; Y704-W730 HydrophobicContact CE1-CH2 3.41Å; Y704-W730 VanDerWaalsContact CE1-CH2 3.41Å; Y704-W730 AromaticContact CE1-CZ2 3.9Å; Y704-W730 HydrophobicContact CE1-CZ2 3.9Å; Y704-W730 HydrophobicContact CE1-CZ3 4.2Å; Y704-W730 HydrophobicContact CE2-CH2 4.46Å; Y704-W730 HydrophobicContact CG-CH2 4.11Å; Y704-W730 HydrophobicContact CG-CZ3 4.24Å; Y704-W730 AromaticContact CZ-CH2 3.95Å; I706-W730 HydrophobicContact CD1-CE3 4.31Å; I706-W730 HydrophobicContact CD1-CZ3 4.11Å; A726-W730 HydrophobicContact CB-CD2 3.98Å; A726-W730 HydrophobicContact CB-CE3 3.58Å; A726-W730 HydrophobicContact CB-CG 4.42Å; A726-W730 HydrophobicContact CB-CZ3 4.12Å; P727-W730 HydrophobicContact CG-CB 4.14Å; P727-W730 WeakPolarHBondContact O-CB 3.47Å; P727-W730 PolarHBondContact O-N 2.9Å; P727-W730 VanDerWaalsContact O-N 3.14Å; W730-C734 VanDerWaalsContact CE2-SG 3.5Å; W730-C734 VanDerWaalsContact O-CB 3.32Å; W730-C734 WeakPolarHBondContact O-CB 3.4Å; W730-C734 PolarHBondContact O-N 2.88Å; W730-C734 PolarHBondContact O-SG 2.81Å; W730-L740 HydrophobicContact CH2-CD1 3.86Å; W730-L740 HydrophobicContact CZ2-CD1 3.73Å; W730-L741 PolarHBondContact NE1-O 3.21Å; W730-P742 VanDerWaalsContact CD1-O 3.27Å; W730-P742 PolarHBondContact NE1-O 2.8Å; W730-P742 VanDerWaalsContact NE1-O 3.11Å; W730-V743 HydrophobicContact CZ2-CG2 4.01Å
731	I	96.5	Very high	94.2	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-67	-45.1	172.1	-65	163.5	0	0	0	111.3	F640 L659 L663 I706 S728 T729 D733 C734 I735	F640-I731 HydrophobicContact CE2-CG2 4.36Å; F640-I731 HydrophobicContact CZ-CG2 4.18Å; L659-I731 HydrophobicContact CD1-CB 4.14Å; L659-I731 HydrophobicContact CD1-CD1 3.81Å; L659-I731 HydrophobicContact CD1-CG2 3.87Å; L659-I731 HydrophobicContact CD2-CD1 4.25Å; L659-I731 HydrophobicContact CG-CD1 4.18Å; L663-I731 HydrophobicContact CD1-CD1 4.05Å; L663-I731 HydrophobicContact CD2-CD1 3.93Å; L663-I731 HydrophobicContact CD2-CG1 4.18Å; L663-I731 HydrophobicContact CD2-CG2 3.88Å; L663-I731 HydrophobicContact CG-CD1 4.29Å; L663-I731 HydrophobicContact CG-CG2 4.41Å; I706-I731 HydrophobicContact CB-CD1 4.31Å; I706-I731 HydrophobicContact CD1-CD1 3.75Å; I706-I731 HydrophobicContact CD1-CG1 4.22Å; I706-I731 HydrophobicContact CG1-CD1 3.82Å; I706-I731 HydrophobicContact CG2-CD1 3.56Å; S728-I731 PolarHBondContact O-N 2.67Å; T729-I731 PolarHBondContact O-N 3.31Å; T729-I731 VanDerWaalsContact O-N 3.07Å; I731-D733 VanDerWaalsContact C-N 3.29Å; I731-D733 PolarHBondContact O-N 3.21Å; I731-C734 PolarHBondContact O-N 3.05Å; I731-I735 HydrophobicContact CG2-CD1 3.71Å; I731-I735 HydrophobicContact CG2-CG1 4.39Å; I731-I735 WeakPolarHBondContact O-CD1 3.5Å; I731-I735 WeakPolarHBondContact O-CG1 3.47Å; I731-I735 PolarHBondContact O-N 3.4Å
732	I	95.6	Very high	94.9	Very high	18 Å²	18	21.8 Å²	21.8	9%	0.092	13%	0.13	C	C	.	.	H	α-helix	trans	-61.3	-42.3	178.1	-54.4	-58.7	0	0	0	110	T584 L589 L662 T729 I735 A736	T584-I732 HydrophobicContact CG2-CG2 3.92Å; L589-I732 HydrophobicContact CD1-CD1 3.74Å; L589-I732 HydrophobicContact CD1-CG2 4Å; L589-I732 HydrophobicContact CD2-CG2 4.42Å; L662-I732 HydrophobicContact CD1-CD1 4.04Å; T729-I732 CarbonylContact O-C 3.38Å; T729-I732 WeakPolarHBondContact O-CA 3.33Å; T729-I732 VanDerWaalsContact O-CB 3.29Å; T729-I732 WeakPolarHBondContact O-CB 3.29Å; T729-I732 PolarHBondContact O-N 2.87Å; I732-I735 PolarHBondContact O-N 3.05Å; I732-A736 VanDerWaalsContact O-CB 3.25Å; I732-A736 WeakPolarHBondContact O-CB 3.32Å; I732-A736 PolarHBondContact O-N 2.92Å
733	D	96.3	Very high	95.3	Very high	78 Å²	78	21.7 Å²	21.7	42%	0.417	13%	0.131	S	C	.	.	H	α-helix	trans	-68.5	-43.2	179.4	-55	-39.6	0	0	0	111.3	T729 I731 I735 A736 A737 L741	T729-D733 VanDerWaalsContact C-OD2 3.24Å; T729-D733 VanDerWaalsContact O-CG 3.24Å; T729-D733 PolarHBondContact O-N 3.47Å; I731-D733 VanDerWaalsContact C-N 3.29Å; I731-D733 PolarHBondContact O-N 3.21Å; D733-I735 PolarHBondContact O-N 3.05Å; D733-A736 PolarHBondContact O-N 2.81Å; D733-A737 VanDerWaalsContact O-CB 3.28Å; D733-A737 WeakPolarHBondContact O-CB 3.36Å; D733-A737 PolarHBondContact O-N 3.13Å; D733-L741 HydrophobicContact CB-CD1 3.89Å
734	C	97.4	Very high	95.2	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-58.3	-44.4	172.3	-73.3	0	0	0	0	112.2	L639 F640 W730 I731 F738 S739 L741	L639-C734 WeakPolarHBondContact CD2-O 3.45Å; F640-C734 HydrophobicContact CE1-CB 4.07Å; F640-C734 HydrophobicContact CZ-CB 4.11Å; W730-C734 VanDerWaalsContact CE2-SG 3.5Å; W730-C734 VanDerWaalsContact O-CB 3.32Å; W730-C734 WeakPolarHBondContact O-CB 3.4Å; W730-C734 PolarHBondContact O-N 2.88Å; W730-C734 PolarHBondContact O-SG 2.81Å; I731-C734 PolarHBondContact O-N 3.05Å; C734-F738 VanDerWaalsContact O-CA 3.3Å; C734-F738 WeakPolarHBondContact O-CA 3.45Å; C734-F738 PolarHBondContact O-N 3.19Å; C734-S739 VanDerWaalsContact CA-O 3.23Å; C734-S739 WeakPolarHBondContact CA-O 3.42Å; C734-S739 VanDerWaalsContact CB-O 3.27Å; C734-S739 WeakPolarHBondContact CB-O 3.3Å; C734-S739 PolarHBondContact O-N 3.14Å; C734-L741 PolarHBondContact SG-N 2.98Å
735	I	97.5	Very high	94.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-67.4	-47.4	177.6	-63.7	163.1	0	0	0	110.3	L589 L592 L593 L639 F640 L662 I731 I732 D733 A737 F738	L589-I735 HydrophobicContact CB-CG2 3.99Å; L589-I735 HydrophobicContact CD2-CB 4.05Å; L589-I735 HydrophobicContact CD2-CG2 3.63Å; L589-I735 HydrophobicContact CG-CG2 4.37Å; L592-I735 WeakPolarHBondContact CD1-O 3.3Å; L592-I735 HydrophobicContact CD2-CG2 4.2Å; L592-I735 WeakPolarHBondContact CD2-O 3.33Å; L593-I735 HydrophobicContact CD1-CD1 4.01Å; L593-I735 HydrophobicContact CD1-CG1 4.22Å; L593-I735 HydrophobicContact CD1-CG2 4.21Å; L593-I735 HydrophobicContact CD2-CG1 4.14Å; L593-I735 HydrophobicContact CD2-CG2 4.05Å; L593-I735 HydrophobicContact CG-CG1 4.34Å; L593-I735 HydrophobicContact CG-CG2 3.74Å; L639-I735 HydrophobicContact CD2-CB 4.43Å; L639-I735 HydrophobicContact CD2-CG1 4.05Å; F640-I735 HydrophobicContact CE2-CD1 4.18Å; F640-I735 HydrophobicContact CE2-CG1 3.83Å; F640-I735 HydrophobicContact CZ-CD1 4.49Å; F640-I735 HydrophobicContact CZ-CG1 3.88Å; L662-I735 HydrophobicContact CB-CD1 3.98Å; L662-I735 HydrophobicContact CD1-CD1 4.2Å; L662-I735 HydrophobicContact CD2-CD1 4.47Å; L662-I735 HydrophobicContact CG-CD1 4.45Å; I731-I735 HydrophobicContact CG2-CD1 3.71Å; I731-I735 HydrophobicContact CG2-CG1 4.39Å; I731-I735 WeakPolarHBondContact O-CD1 3.5Å; I731-I735 WeakPolarHBondContact O-CG1 3.47Å; I731-I735 PolarHBondContact O-N 3.4Å; I732-I735 PolarHBondContact O-N 3.05Å; D733-I735 PolarHBondContact O-N 3.05Å; I735-A737 PolarHBondContact O-N 2.93Å; I735-F738 PolarHBondContact O-N 3.38Å
736	A	96.3	Very high	94.4	Very high	25 Å²	25	35.3 Å²	35.3	21%	0.207	20%	0.201	C	C	.	.	H	α-helix	trans	-61.2	-34.1	-179.4	0	0	0	0	0	112.5	M582 T584 L589 I732 D733	M582-A736 HydrophobicContact CE-CB 3.99Å; T584-A736 HydrophobicContact CG2-CB 3.95Å; L589-A736 HydrophobicContact CD2-CB 4.48Å; I732-A736 VanDerWaalsContact O-CB 3.25Å; I732-A736 WeakPolarHBondContact O-CB 3.32Å; I732-A736 PolarHBondContact O-N 2.92Å; D733-A736 PolarHBondContact O-N 2.81Å
737	A	96.3	Very high	94.3	Very high	24 Å²	24	37.2 Å²	37.2	20%	0.198	21%	0.212	C	C	.	.	H	α-helix	trans	-79.8	-22.1	172.8	0	0	0	0	0	113.8	G624 R627 D733 I735 L741	G624-A737 VanDerWaalsContact CA-O 3.27Å; G624-A737 WeakPolarHBondContact CA-O 3.5Å; R627-A737 PolarHBondContact NE-O 3.22Å; R627-A737 VanDerWaalsContact NE-O 3.1Å; R627-A737 PolarHBondContact NH2-O 2.98Å; D733-A737 VanDerWaalsContact O-CB 3.28Å; D733-A737 WeakPolarHBondContact O-CB 3.36Å; D733-A737 PolarHBondContact O-N 3.13Å; I735-A737 PolarHBondContact O-N 2.93Å; A737-L741 HydrophobicContact CB-CD1 4.46Å; A737-L741 HydrophobicContact CB-CD2 4.32Å
738	F	96.9	Very high	94.3	Very high	9 Å²	9	38.6 Å²	38.6	4%	0.039	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.4	58.7	-157.8	-156.8	-95.6	0	0	0	112.4	L592 L593 G624 R627 S628 N631 L639 H691 C734 I735	L592-F738 HydrophobicContact CD2-CB 4.08Å; L592-F738 HydrophobicContact CD2-CD2 3.69Å; L592-F738 HydrophobicContact CD2-CG 4.33Å; L593-F738 HydrophobicContact CD2-CE2 4.47Å; G624-F738 WeakPolarHBondContact O-CB 3.34Å; R627-F738 HydrophobicContact CB-CB 4.14Å; R627-F738 HydrophobicContact CB-CD1 4.12Å; S628-F738 WeakPolarHBondContact OG-CD2 3.39Å; S628-F738 WeakPolarHBondContact OG-CE2 3.46Å; N631-F738 HydrophobicContact CB-CD1 4.47Å; N631-F738 HydrophobicContact CB-CE1 3.54Å; N631-F738 HydrophobicContact CB-CZ 3.96Å; L639-F738 HydrophobicContact CB-CD2 4.24Å; L639-F738 HydrophobicContact CB-CE2 3.79Å; L639-F738 HydrophobicContact CB-CZ 4.1Å; L639-F738 HydrophobicContact CD1-CD1 4.47Å; L639-F738 HydrophobicContact CD1-CD2 4.36Å; L639-F738 HydrophobicContact CD1-CG 4.35Å; L639-F738 HydrophobicContact CD2-CD2 4.25Å; H691-F738 AromaticContact CE1-CE1 3.73Å; C734-F738 VanDerWaalsContact O-CA 3.3Å; C734-F738 WeakPolarHBondContact O-CA 3.45Å; C734-F738 PolarHBondContact O-N 3.19Å; I735-F738 PolarHBondContact O-N 3.38Å
739	S	95.4	Very high	94.3	Very high	23 Å²	23	40.4 Å²	40.4	16%	0.161	23%	0.229	C	C	.	.	S	Bend	trans	-153.3	140.9	-179.8	-152.1	0	0	0	0	109	R627 C734 L741	R627-S739 PolarHBondContact NH1-OG 2.76Å; C734-S739 VanDerWaalsContact CA-O 3.23Å; C734-S739 WeakPolarHBondContact CA-O 3.42Å; C734-S739 VanDerWaalsContact CB-O 3.27Å; C734-S739 WeakPolarHBondContact CB-O 3.3Å; C734-S739 PolarHBondContact O-N 3.14Å; S739-L741 VanDerWaalsContact C-N 3.33Å; S739-L741 PolarHBondContact O-N 3.14Å
740	L	95.6	Very high	94.2	Very high	3 Å²	3	38.8 Å²	38.8	2%	0.016	22%	0.218	C	C	.	.			trans	-81.1	85.2	172.4	-172.1	64.4	0	0	0	109.1	F640 A689 H691 A692 Q698 W730	F640-L740 HydrophobicContact CD1-CD1 4.07Å; F640-L740 HydrophobicContact CE1-CD1 4.04Å; A689-L740 HydrophobicContact CB-CD2 3.78Å; H691-L740 HydrophobicContact CB-CB 4.08Å; H691-L740 WeakPolarHBondContact O-CB 3.3Å; A692-L740 HydrophobicContact CB-CD2 4.06Å; Q698-L740 HydrophobicContact CB-CD2 4.48Å; W730-L740 HydrophobicContact CH2-CD1 3.86Å; W730-L740 HydrophobicContact CZ2-CD1 3.73Å
741	L	96.2	Very high	94.1	Very high	55 Å²	55	41 Å²	41	29%	0.288	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-62.6	154.1	-175.4	-57.9	175.1	0	0	0	111.8	Q698 W730 D733 C734 A737 S739	Q698-L741 PolarHBondContact NE2-O 3.47Å; W730-L741 PolarHBondContact NE1-O 3.21Å; D733-L741 HydrophobicContact CB-CD1 3.89Å; C734-L741 PolarHBondContact SG-N 2.98Å; A737-L741 HydrophobicContact CB-CD1 4.46Å; A737-L741 HydrophobicContact CB-CD2 4.32Å; S739-L741 VanDerWaalsContact C-N 3.33Å; S739-L741 PolarHBondContact O-N 3.14Å
742	P	93.8	Very high	93.9	Very high	80 Å²	80	43.9 Å²	43.9	52%	0.519	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-48.2	141.5	164.6	-28.3	36.4	0	0	0	112.2	W730	W730-P742 VanDerWaalsContact CD1-O 3.27Å; W730-P742 PolarHBondContact NE1-O 2.8Å; W730-P742 VanDerWaalsContact NE1-O 3.11Å
743	V	93.3	Very high	93.8	Very high	14 Å²	14	45.9 Å²	45.9	9%	0.085	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-73.4	125	173.8	177.6	0	0	0	0	108	Y704 V718 W724 A726 W730	Y704-V743 HydrophobicContact CD1-CG2 4.38Å; Y704-V743 HydrophobicContact CE1-CG2 3.96Å; V718-V743 HydrophobicContact CB-CG1 4.4Å; W724-V743 HydrophobicContact CB-CG2 4.27Å; W724-V743 HydrophobicContact CD2-CB 4.37Å; W724-V743 HydrophobicContact CD2-CG2 3.83Å; W724-V743 HydrophobicContact CE3-CB 3.71Å; W724-V743 HydrophobicContact CE3-CG1 4.15Å; W724-V743 HydrophobicContact CE3-CG2 3.69Å; W724-V743 HydrophobicContact CG-CG2 4.09Å; W724-V743 HydrophobicContact CZ3-CB 4.09Å; W724-V743 HydrophobicContact CZ3-CG2 4.31Å; A726-V743 HydrophobicContact CB-CG1 3.81Å; A726-V743 HydrophobicContact CB-CG2 4.45Å; W730-V743 HydrophobicContact CZ2-CG2 4.01Å
744	P	88.6	Confident	93.6	Very high	61 Å²	61	43.3 Å²	43.3	40%	0.396	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-68	147.3	178.8	29.3	-35.9	0	0	0	111.2	V718 P727	V718-P744 WeakPolarHBondContact CG1-O 3.18Å; P727-P744 HydrophobicContact CG-CG 3.87Å
745	E	75.5	Confident	93.2	Very high	225 Å²	225	47.2 Å²	47.2	100%	1.051	27%	0.269	S	S	*	.			trans	-71.6	0	179.2	-59.9	-166.6	147	0	0	114.2	V718	V718-E745 VanDerWaalsContact CG1-OXT 3.27Å; V718-E745 WeakPolarHBondContact CG1-OXT 2.97Å

Retrieved 745 of 745 residues in 771.8 ms (Link to these results)

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