A0A5K4F7G6_SCHMA Loading...

Large ribosomal subunit protein mL37

AlphaFold DB (A0A5K4F484), UniProt , Accession A0A5K4F7G6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 629 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	35.7	Very low	76.1	Confident	241 Å²	241	110.5 Å²	110.5	100%	1.187	59%	0.594	S	S	*	*				0	112.8	0	-68.9	-163.1	175.6	0	0	107	S3	M1-S3 VanDerWaalsContact C-N 3.34Å; M1-S3 PolarHBondContact O-N 3.12Å
2	S	43.1	Very low	77.4	Confident	122 Å²	122	105.6 Å²	105.6	85%	0.853	57%	0.567	S	S	*	*			trans	-73.8	88.7	177.5	45.9	0	0	0	0	108.7	E4	S2-E4 PolarHBondContact O-N 3.25Å
3	S	59.1	Low	78.6	Confident	105 Å²	105	97.5 Å²	97.5	73%	0.734	52%	0.524	S	S	*	.			trans	-61.2	113.6	167.7	48.5	0	0	0	0	107.9	M1 V5	M1-S3 VanDerWaalsContact C-N 3.34Å; M1-S3 PolarHBondContact O-N 3.12Å; S3-V5 PolarHBondContact O-N 3.41Å; S3-V5 VanDerWaalsContact O-N 3.17Å
4	E	72.1	Confident	79.6	Confident	184 Å²	184	100.1 Å²	100.1	86%	0.86	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-52.7	120.9	174.8	-71.5	180	159.2	0	0	109.3	S2 K6	S2-E4 PolarHBondContact O-N 3.25Å; E4-K6 PolarHBondContact O-N 2.7Å
5	V	80.7	Confident	80.5	Confident	81 Å²	81	102.1 Å²	102.1	49%	0.491	53%	0.526	S	S	.	.	P	Polyproline II helix	trans	-66.7	118.6	178.4	178.2	0	0	0	0	107.7	S3 V7 E79	S3-V5 PolarHBondContact O-N 3.41Å; S3-V5 VanDerWaalsContact O-N 3.17Å; V5-V7 PolarHBondContact O-N 3.33Å; V5-E79 HydrophobicContact CG1-CB 4.35Å; V5-E79 HydrophobicContact CG1-CG 3.82Å
6	K	89.8	Confident	81.2	Confident	145 Å²	145	98.1 Å²	98.1	63%	0.63	50%	0.503	S	S	*	.	P	Polyproline II helix	trans	-67.3	133.8	176.3	-67.8	-179.1	-178.9	176.9	0	109.4	E4 F8 G78 E79	E4-K6 PolarHBondContact O-N 2.7Å; K6-F8 HydrophobicContact CB-CE2 3.82Å; K6-F8 HydrophobicContact CB-CZ 3.99Å; K6-F8 HydrophobicContact CD-CZ 4.19Å; K6-G78 CarbonylContact O-C 3.58Å; K6-G78 WeakPolarHBondContact O-CA 3.41Å; K6-E79 PolarHBondContact O-N 2.96Å
7	V	90.8	Very high	81.8	Confident	91 Å²	91	97.6 Å²	97.6	55%	0.552	50%	0.502	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.1	125.6	176.9	-177.8	0	0	0	0	108.1	V5 E79 A81	V5-V7 PolarHBondContact O-N 3.33Å; V7-E79 CarbonylContact C-O 3.55Å; V7-E79 WeakPolarHBondContact CA-O 3.19Å; V7-A81 HydrophobicContact CG1-CB 3.97Å
8	F	92.9	Very high	82.2	Confident	33 Å²	33	99.6 Å²	99.6	15%	0.145	51%	0.507	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	142.5	179.3	-62.9	-80.3	0	0	0	110.3	K6 V13 W23 V30 I77 E79 I80 A81	K6-F8 HydrophobicContact CB-CE2 3.82Å; K6-F8 HydrophobicContact CB-CZ 3.99Å; K6-F8 HydrophobicContact CD-CZ 4.19Å; F8-V13 HydrophobicContact CB-CG2 4.21Å; F8-W23 HydrophobicContact CD1-CH2 4.39Å; F8-W23 AromaticContact CD1-CZ3 3.83Å; F8-W23 HydrophobicContact CD1-CZ3 3.83Å; F8-W23 AromaticContact CE1-CH2 3.83Å; F8-W23 HydrophobicContact CE1-CH2 3.83Å; F8-W23 AromaticContact CE1-CZ3 3.71Å; F8-W23 HydrophobicContact CE1-CZ3 3.71Å; F8-W23 HydrophobicContact CG-CZ3 4.44Å; F8-W23 HydrophobicContact CZ-CH2 4.24Å; F8-W23 HydrophobicContact CZ-CZ3 4.23Å; F8-V30 HydrophobicContact CB-CG2 4.24Å; F8-V30 HydrophobicContact CD2-CB 4.21Å; F8-V30 HydrophobicContact CD2-CG1 4.49Å; F8-V30 HydrophobicContact CD2-CG2 4.08Å; F8-I77 HydrophobicContact CE2-CB 4.4Å; F8-I77 HydrophobicContact CE2-CD1 4.01Å; F8-I77 HydrophobicContact CE2-CG1 4.01Å; F8-I77 HydrophobicContact CZ-CD1 4.04Å; F8-I77 HydrophobicContact CZ-CG1 4.43Å; F8-E79 PolarHBondContact N-O 3.36Å; F8-I80 CarbonylContact O-C 3.59Å; F8-I80 WeakPolarHBondContact O-CA 3.38Å; F8-A81 PolarHBondContact O-N 2.95Å
9	T	92.4	Very high	82.2	Confident	50 Å²	50	98.1 Å²	98.1	31%	0.307	50%	0.504	S	S	.	.			trans	-82.1	159.8	167.4	66.4	0	0	0	0	110.2	E11 D12 V13 A81 D84	T9-E11 PolarHBondContact O-N 2.86Å; T9-D12 PolarHBondContact N-OD2 3.27Å; T9-D12 WeakPolarHBondContact O-CB 3.33Å; T9-D12 PolarHBondContact O-N 3Å; T9-D12 PolarHBondContact OG1-N 2.81Å; T9-D12 PolarHBondContact OG1-OD2 3.03Å; T9-V13 PolarHBondContact O-N 2.88Å; T9-V13 VanDerWaalsContact O-N 3.14Å; T9-A81 HydrophobicContact CG2-CB 4.42Å; T9-D84 WeakPolarHBondContact CA-OD2 3.48Å
10	L	90	Very high	82.5	Confident	20 Å²	20	100.6 Å²	100.6	11%	0.105	52%	0.519	C	S	.	.	H	α-helix	trans	-61.1	-31.7	173.5	-175.1	65.4	0	0	0	111.6	D12 V13 R14 Y54 I80 D84	L10-D12 VanDerWaalsContact C-N 3.28Å; L10-D12 PolarHBondContact O-N 3.27Å; L10-V13 PolarHBondContact O-N 3.32Å; L10-R14 WeakPolarHBondContact O-CB 3.35Å; L10-R14 VanDerWaalsContact O-CG 3.25Å; L10-R14 WeakPolarHBondContact O-CG 3.29Å; L10-R14 PolarHBondContact O-N 2.88Å; L10-Y54 HydrophobicContact CD1-CD2 4.38Å; L10-Y54 HydrophobicContact CD1-CE2 3.63Å; L10-Y54 HydrophobicContact CD2-CE2 3.8Å; L10-Y54 HydrophobicContact CG-CE2 4.36Å; L10-I80 HydrophobicContact CB-CD1 4.49Å; L10-D84 HydrophobicContact CB-CB 4.06Å; L10-D84 PolarHBondContact N-OD2 2.72Å
11	E	90.4	Very high	82.9	Confident	144 Å²	144	98.5 Å²	98.5	67%	0.673	51%	0.508	S	S	*	.	H	α-helix	trans	-64.9	-32.6	174.1	-68.1	-173.3	173.9	0	0	112.6	T9 K15	T9-E11 PolarHBondContact O-N 2.86Å; E11-K15 WeakPolarHBondContact O-CE 3.37Å; E11-K15 WeakPolarHBondContact O-CG 3.49Å
12	D	92.1	Very high	85.6	Confident	51 Å²	51	87 Å²	87	27%	0.273	45%	0.452	S	S	.	.	H	α-helix	trans	-69.4	-49.2	173.7	-62.3	-44.5	0	0	0	110.7	T9 L10 R14 K15 H16	T9-D12 PolarHBondContact N-OD2 3.27Å; T9-D12 WeakPolarHBondContact O-CB 3.33Å; T9-D12 PolarHBondContact O-N 3Å; T9-D12 PolarHBondContact OG1-N 2.81Å; T9-D12 PolarHBondContact OG1-OD2 3.03Å; L10-D12 VanDerWaalsContact C-N 3.28Å; L10-D12 PolarHBondContact O-N 3.27Å; D12-R14 VanDerWaalsContact C-N 3.27Å; D12-R14 PolarHBondContact O-N 2.91Å; D12-K15 WeakPolarHBondContact O-CB 3.24Å; D12-K15 PolarHBondContact O-N 2.93Å; D12-K15 VanDerWaalsContact O-N 3.07Å; D12-K15 IonicContact OD1-NZ 2.84Å; D12-K15 PolarHBondContact OD1-NZ 3.02Å; D12-H16 PolarHBondContact O-CD2 3.26Å
13	V	93.2	Very high	88.2	Confident	0 Å²	0	82.6 Å²	82.6	0%	0	42%	0.416	C	S	.	.	H	α-helix	trans	-59.3	-38.9	178.8	-177.3	0	0	0	0	111.6	F8 T9 L10 K15 H16 W23 V25 V30 G52 I80	F8-V13 HydrophobicContact CB-CG2 4.21Å; T9-V13 PolarHBondContact O-N 2.88Å; T9-V13 VanDerWaalsContact O-N 3.14Å; L10-V13 PolarHBondContact O-N 3.32Å; V13-K15 PolarHBondContact O-N 3.29Å; V13-K15 VanDerWaalsContact O-N 3.12Å; V13-H16 PolarHBondContact O-N 2.99Å; V13-W23 HydrophobicContact CG1-CB 4.02Å; V13-V25 HydrophobicContact CB-CG2 4.38Å; V13-V25 HydrophobicContact CG1-CG2 3.87Å; V13-V25 HydrophobicContact CG2-CG2 4.13Å; V13-V30 HydrophobicContact CG2-CG1 3.83Å; V13-V30 HydrophobicContact CG2-CG2 4.03Å; V13-G52 WeakPolarHBondContact O-CA 3.42Å; V13-I80 HydrophobicContact CG2-CD1 3.92Å
14	R	92.7	Very high	89.9	Confident	135 Å²	135	77.8 Å²	77.8	51%	0.509	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-20.1	177.7	-81.5	175.1	172.8	172.8	0.6	114.9	L10 D12 G52	L10-R14 WeakPolarHBondContact O-CB 3.35Å; L10-R14 VanDerWaalsContact O-CG 3.25Å; L10-R14 WeakPolarHBondContact O-CG 3.29Å; L10-R14 PolarHBondContact O-N 2.88Å; D12-R14 VanDerWaalsContact C-N 3.27Å; D12-R14 PolarHBondContact O-N 2.91Å; R14-G52 VanDerWaalsContact CG-O 3.22Å; R14-G52 WeakPolarHBondContact CG-O 3.43Å
15	K	92	Very high	91	Very high	130 Å²	130	69 Å²	69	57%	0.565	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-22.7	175.4	-64.4	163.9	-168.6	161.2	0	111.9	E11 D12 V13 N17	E11-K15 WeakPolarHBondContact O-CE 3.37Å; E11-K15 WeakPolarHBondContact O-CG 3.49Å; D12-K15 WeakPolarHBondContact O-CB 3.24Å; D12-K15 PolarHBondContact O-N 2.93Å; D12-K15 VanDerWaalsContact O-N 3.07Å; D12-K15 IonicContact OD1-NZ 2.84Å; D12-K15 PolarHBondContact OD1-NZ 3.02Å; V13-K15 PolarHBondContact O-N 3.29Å; V13-K15 VanDerWaalsContact O-N 3.12Å; K15-N17 PolarHBondContact O-N 3.28Å
16	H	93.2	Very high	91.6	Very high	37 Å²	37	65.6 Å²	65.6	17%	0.171	32%	0.32	C	S	.	.			trans	-100.4	65.6	-176.1	-58.2	-83.3	0	0	0	110.5	D12 V13 D21 W23 G52	D12-H16 PolarHBondContact O-CD2 3.26Å; V13-H16 PolarHBondContact O-N 2.99Å; H16-D21 CarbonylContact C-O 3.56Å; H16-D21 VanDerWaalsContact CA-O 3.3Å; H16-D21 WeakPolarHBondContact CA-O 3.34Å; H16-D21 IonicContact CE1-OD1 3.99Å; H16-D21 IonicContact CE1-OD2 3.69Å; H16-D21 IonicContact CG-OD1 3.64Å; H16-D21 IonicContact CG-OD2 3.81Å; H16-D21 IonicContact ND1-OD1 2.67Å; H16-D21 PolarHBondContact ND1-OD1 3Å; H16-D21 IonicContact ND1-OD2 2.72Å; H16-D21 PolarHBondContact ND1-OD2 2.75Å; H16-W23 HydrophobicContact CB-CB 3.69Å; H16-W23 HydrophobicContact CB-CD2 3.69Å; H16-W23 HydrophobicContact CB-CE3 4.22Å; H16-W23 HydrophobicContact CB-CG 3.43Å; H16-W23 VanDerWaalsContact CB-CG 3.43Å; H16-W23 AromaticContact CD2-CD2 3.46Å; H16-W23 VanDerWaalsContact CD2-CD2 3.46Å; H16-W23 AromaticContact CD2-CE2 3.8Å; H16-W23 AromaticContact CD2-CE3 3.24Å; H16-W23 AromaticContact CD2-CH2 3.76Å; H16-W23 AromaticContact CD2-CZ2 3.96Å; H16-W23 AromaticContact CD2-CZ3 3.41Å; H16-W23 VanDerWaalsContact CD2-CZ3 3.41Å; H16-W23 WeakPolarHBondContact CD2-CZ3 3.35Å; H16-W23 AromaticContact CE1-CE2 3.76Å; H16-W23 AromaticContact CE1-CH2 3.7Å; H16-W23 AromaticContact CE1-CZ2 3.49Å; H16-W23 VanDerWaalsContact CE1-CZ2 3.49Å; H16-W23 WeakPolarHBondContact CE1-CZ2 3.45Å; H16-W23 AromaticContact CG-CD2 3.39Å; H16-W23 AromaticContact CG-CE2 3.59Å; H16-W23 AromaticContact CG-CE3 3.72Å; H16-W23 AromaticContact CG-CG 3.72Å; H16-W23 AromaticContact CG-NE1 3.95Å; H16-W23 AromaticContact ND1-CD2 3.89Å; H16-W23 AromaticContact ND1-CE2 3.55Å; H16-W23 AromaticContact ND1-CZ2 3.78Å; H16-W23 AromaticContact ND1-NE1 3.8Å; H16-W23 AromaticContact NE2-CE2 3.94Å; H16-W23 AromaticContact NE2-CE3 3.78Å; H16-W23 AromaticContact NE2-CH2 3.34Å; H16-W23 VanDerWaalsContact NE2-CH2 3.34Å; H16-W23 WeakPolarHBondContact NE2-CH2 3.44Å; H16-W23 AromaticContact NE2-CZ2 3.63Å; H16-W23 AromaticContact NE2-CZ3 3.43Å; H16-W23 WeakPolarHBondContact NE2-CZ3 3.41Å; H16-W23 PolarHBondContact O-N 3.34Å; H16-G52 PolarHBondContact O-N 3.5Å
17	N	90.4	Very high	91.6	Very high	91 Å²	91	63 Å²	63	49%	0.487	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	20	-173.7	71.5	-7.8	0	0	0	114.3	K15 D21 A51	K15-N17 PolarHBondContact O-N 3.28Å; N17-D21 PolarHBondContact N-O 2.85Å; N17-A51 HydrophobicContact CB-CB 4.44Å
18	K	88.8	Confident	91.7	Very high	133 Å²	133	61 Å²	61	58%	0.578	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.1	159	-176.5	-67.4	179.9	-177.7	173.8	0	110.8	D20 D21 L22	K18-D20 PolarHBondContact O-N 2.83Å; K18-D21 HydrophobicContact CB-CB 4.41Å; K18-D21 PolarHBondContact N-O 3.43Å; K18-D21 CarbonylContact O-C 3.55Å; K18-D21 PolarHBondContact O-N 3.36Å; K18-L22 WeakPolarHBondContact O-CB 3.37Å; K18-L22 PolarHBondContact O-N 2.92Å
19	P	82.5	Confident	91.7	Very high	71 Å²	71	63.2 Å²	63.2	46%	0.461	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-38.3	176.8	-23.5	33.4	0	0	0	113	D21	P19-D21 VanDerWaalsContact C-N 3.32Å
20	D	88.3	Confident	91.8	Very high	148 Å²	148	60.8 Å²	60.8	79%	0.791	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	2.2	179.1	-54.8	-30.2	0	0	0	113.5	K18 T34	K18-D20 PolarHBondContact O-N 2.83Å; D20-T34 VanDerWaalsContact C-CG2 3.42Å; D20-T34 WeakPolarHBondContact O-CG2 3.48Å
21	D	91.8	Very high	92.1	Very high	57 Å²	57	60.1 Å²	60.1	31%	0.305	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	81.9	-178.6	-171.2	22.9	0	0	0	109.8	H16 N17 K18 P19	H16-D21 CarbonylContact C-O 3.56Å; H16-D21 VanDerWaalsContact CA-O 3.3Å; H16-D21 WeakPolarHBondContact CA-O 3.34Å; H16-D21 IonicContact CE1-OD1 3.99Å; H16-D21 IonicContact CE1-OD2 3.69Å; H16-D21 IonicContact CG-OD1 3.64Å; H16-D21 IonicContact CG-OD2 3.81Å; H16-D21 IonicContact ND1-OD1 2.67Å; H16-D21 PolarHBondContact ND1-OD1 3Å; H16-D21 IonicContact ND1-OD2 2.72Å; H16-D21 PolarHBondContact ND1-OD2 2.75Å; N17-D21 PolarHBondContact N-O 2.85Å; K18-D21 HydrophobicContact CB-CB 4.41Å; K18-D21 PolarHBondContact N-O 3.43Å; K18-D21 CarbonylContact O-C 3.55Å; K18-D21 PolarHBondContact O-N 3.36Å; P19-D21 VanDerWaalsContact C-N 3.32Å
22	L	92.2	Very high	92.4	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	104.6	-162.8	-165.5	152.8	0	0	0	112	K18 I24 L33 T34 L47 E48 A51	K18-L22 WeakPolarHBondContact O-CB 3.37Å; K18-L22 PolarHBondContact O-N 2.92Å; L22-I24 HydrophobicContact CD2-CD1 3.87Å; L22-I24 HydrophobicContact CD2-CG1 3.83Å; L22-L33 HydrophobicContact CD2-CB 3.81Å; L22-L33 HydrophobicContact CD2-CD1 4.39Å; L22-L33 PolarHBondContact O-N 2.84Å; L22-T34 PolarHBondContact N-OG1 3.14Å; L22-L47 HydrophobicContact CD1-CB 4.03Å; L22-L47 HydrophobicContact CD2-CB 4.09Å; L22-E48 HydrophobicContact CD1-CG 4.29Å; L22-A51 HydrophobicContact CD1-CB 4.07Å; L22-A51 HydrophobicContact CD2-CB 4.43Å; L22-A51 HydrophobicContact CG-CB 3.72Å
23	W	96.3	Very high	92.5	Very high	28 Å²	28	53.7 Å²	53.7	11%	0.106	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	145.1	174.8	-62.9	3.8	0	0	0	111.9	F8 V13 H16 V30 Y31 D32 G52 I77	F8-W23 HydrophobicContact CD1-CH2 4.39Å; F8-W23 AromaticContact CD1-CZ3 3.83Å; F8-W23 HydrophobicContact CD1-CZ3 3.83Å; F8-W23 AromaticContact CE1-CH2 3.83Å; F8-W23 HydrophobicContact CE1-CH2 3.83Å; F8-W23 AromaticContact CE1-CZ3 3.71Å; F8-W23 HydrophobicContact CE1-CZ3 3.71Å; F8-W23 HydrophobicContact CG-CZ3 4.44Å; F8-W23 HydrophobicContact CZ-CH2 4.24Å; F8-W23 HydrophobicContact CZ-CZ3 4.23Å; V13-W23 HydrophobicContact CG1-CB 4.02Å; H16-W23 HydrophobicContact CB-CB 3.69Å; H16-W23 HydrophobicContact CB-CD2 3.69Å; H16-W23 HydrophobicContact CB-CE3 4.22Å; H16-W23 HydrophobicContact CB-CG 3.43Å; H16-W23 VanDerWaalsContact CB-CG 3.43Å; H16-W23 AromaticContact CD2-CD2 3.46Å; H16-W23 VanDerWaalsContact CD2-CD2 3.46Å; H16-W23 AromaticContact CD2-CE2 3.8Å; H16-W23 AromaticContact CD2-CE3 3.24Å; H16-W23 AromaticContact CD2-CH2 3.76Å; H16-W23 AromaticContact CD2-CZ2 3.96Å; H16-W23 AromaticContact CD2-CZ3 3.41Å; H16-W23 VanDerWaalsContact CD2-CZ3 3.41Å; H16-W23 WeakPolarHBondContact CD2-CZ3 3.35Å; H16-W23 AromaticContact CE1-CE2 3.76Å; H16-W23 AromaticContact CE1-CH2 3.7Å; H16-W23 AromaticContact CE1-CZ2 3.49Å; H16-W23 VanDerWaalsContact CE1-CZ2 3.49Å; H16-W23 WeakPolarHBondContact CE1-CZ2 3.45Å; H16-W23 AromaticContact CG-CD2 3.39Å; H16-W23 AromaticContact CG-CE2 3.59Å; H16-W23 AromaticContact CG-CE3 3.72Å; H16-W23 AromaticContact CG-CG 3.72Å; H16-W23 AromaticContact CG-NE1 3.95Å; H16-W23 AromaticContact ND1-CD2 3.89Å; H16-W23 AromaticContact ND1-CE2 3.55Å; H16-W23 AromaticContact ND1-CZ2 3.78Å; H16-W23 AromaticContact ND1-NE1 3.8Å; H16-W23 AromaticContact NE2-CE2 3.94Å; H16-W23 AromaticContact NE2-CE3 3.78Å; H16-W23 AromaticContact NE2-CH2 3.34Å; H16-W23 VanDerWaalsContact NE2-CH2 3.34Å; H16-W23 WeakPolarHBondContact NE2-CH2 3.44Å; H16-W23 AromaticContact NE2-CZ2 3.63Å; H16-W23 AromaticContact NE2-CZ3 3.43Å; H16-W23 WeakPolarHBondContact NE2-CZ3 3.41Å; H16-W23 PolarHBondContact O-N 3.34Å; W23-V30 HydrophobicContact CB-CG1 4.44Å; W23-V30 HydrophobicContact CE3-CG1 4.02Å; W23-Y31 VanDerWaalsContact CA-O 3.27Å; W23-Y31 WeakPolarHBondContact CA-O 3.35Å; W23-D32 VanDerWaalsContact NE1-CG 3.28Å; W23-D32 PolarHBondContact NE1-OD1 2.85Å; W23-G52 PolarHBondContact O-N 3.07Å; W23-I77 HydrophobicContact CD2-CD1 3.58Å; W23-I77 HydrophobicContact CE3-CD1 3.61Å; W23-I77 HydrophobicContact CG-CD1 4.31Å; W23-I77 HydrophobicContact CH2-CD1 3.67Å; W23-I77 HydrophobicContact CZ2-CD1 3.62Å; W23-I77 HydrophobicContact CZ3-CD1 3.65Å
24	I	95	Very high	92.4	Very high	5 Å²	5	55.6 Å²	55.6	3%	0.026	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	142.4	177.7	-60.2	-176.3	0	0	0	109.5	L22 I26 Y31 L33 L47 Q50	L22-I24 HydrophobicContact CD2-CD1 3.87Å; L22-I24 HydrophobicContact CD2-CG1 3.83Å; I24-I26 HydrophobicContact CG2-CD1 4.32Å; I24-I26 HydrophobicContact CG2-CG1 3.89Å; I24-Y31 PolarHBondContact N-O 2.63Å; I24-Y31 PolarHBondContact O-N 2.87Å; I24-L33 HydrophobicContact CB-CD1 4.24Å; I24-L33 HydrophobicContact CD1-CD1 3.84Å; I24-L33 HydrophobicContact CG1-CD1 4.15Å; I24-L47 HydrophobicContact CD1-CB 4.41Å; I24-L47 HydrophobicContact CD1-CD2 3.96Å; I24-Q50 HydrophobicContact CD1-CB 3.95Å; I24-Q50 HydrophobicContact CG2-CG 4.42Å
25	V	95.1	Very high	92.3	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	121.1	172.3	-169.6	0	0	0	0	110.5	V13 K29 V30 D53 Y54 G55 I80	V13-V25 HydrophobicContact CB-CG2 4.38Å; V13-V25 HydrophobicContact CG1-CG2 3.87Å; V13-V25 HydrophobicContact CG2-CG2 4.13Å; V25-K29 CarbonylContact C-O 3.24Å; V25-K29 VanDerWaalsContact CA-O 3.3Å; V25-K29 WeakPolarHBondContact CA-O 3.05Å; V25-V30 HydrophobicContact CG2-CG2 4.4Å; V25-D53 PolarHBondContact N-O 3.35Å; V25-D53 VanDerWaalsContact N-O 3.1Å; V25-Y54 HydrophobicContact CB-CD1 3.84Å; V25-Y54 HydrophobicContact CB-CE1 4.11Å; V25-Y54 HydrophobicContact CG1-CD1 3.86Å; V25-Y54 HydrophobicContact CG1-CE1 3.84Å; V25-Y54 HydrophobicContact CG2-CE1 4.5Å; V25-Y54 CarbonylContact O-C 3.6Å; V25-G55 PolarHBondContact O-N 3.03Å; V25-I80 HydrophobicContact CG1-CB 4.28Å; V25-I80 HydrophobicContact CG2-CD1 4.05Å
26	I	93.1	Very high	92.3	Very high	9 Å²	9	52.9 Å²	52.9	5%	0.046	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	123.5	176.5	-57.3	175.4	0	0	0	108.3	I24 D28 K29 Y31 F59 M72	I24-I26 HydrophobicContact CG2-CD1 4.32Å; I24-I26 HydrophobicContact CG2-CG1 3.89Å; I26-D28 VanDerWaalsContact C-N 3.33Å; I26-D28 PolarHBondContact O-N 3.15Å; I26-K29 PolarHBondContact N-O 3Å; I26-K29 WeakPolarHBondContact O-CB 3.5Å; I26-K29 PolarHBondContact O-N 2.76Å; I26-Y31 HydrophobicContact CB-CD2 4.05Å; I26-Y31 HydrophobicContact CB-CE2 3.8Å; I26-Y31 HydrophobicContact CD1-CD2 4.42Å; I26-Y31 HydrophobicContact CG1-CD2 4.31Å; I26-F59 HydrophobicContact CD1-CB 4.23Å; I26-F59 HydrophobicContact CD1-CD2 3.81Å; I26-F59 HydrophobicContact CD1-CE2 4.39Å; I26-F59 HydrophobicContact CD1-CG 4.05Å; I26-F59 HydrophobicContact CG2-CB 4.28Å; I26-F59 HydrophobicContact CG2-CD1 3.97Å; I26-F59 HydrophobicContact CG2-CG 4.08Å; I26-M72 HydrophobicContact CD1-SD 3.79Å; I26-M72 HydrophobicContact CG2-SD 4.22Å
27	H	91.5	Very high	92.2	Very high	90 Å²	90	51.6 Å²	51.6	42%	0.417	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.7	48.1	-179.1	-60.8	-60.9	0	0	0	113.2	K29 T56 E60	H27-K29 PolarHBondContact O-N 2.85Å; H27-K29 VanDerWaalsContact O-N 3.09Å; H27-T56 VanDerWaalsContact CE1-CG2 3.45Å; H27-T56 WeakPolarHBondContact CE1-CG2 3.48Å; H27-T56 PolarHBondContact N-OG1 3.12Å; H27-T56 VanDerWaalsContact ND1-CG2 3.35Å; H27-T56 WeakPolarHBondContact ND1-CG2 3.44Å; H27-E60 IonicContact CD2-OE1 3.94Å; H27-E60 IonicContact CE1-OE1 3.44Å; H27-E60 PolarHBondContact CE1-OE1 3.05Å; H27-E60 IonicContact NE2-OE1 2.76Å; H27-E60 PolarHBondContact NE2-OE1 3.48Å
28	D	91.8	Very high	92.1	Very high	50 Å²	50	51.4 Å²	51.4	27%	0.267	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.8	8.8	-177.3	-59.8	-41.2	0	0	0	115.5	I26 I80 R85 E86	I26-D28 VanDerWaalsContact C-N 3.33Å; I26-D28 PolarHBondContact O-N 3.15Å; D28-I80 HydrophobicContact CB-CG2 3.87Å; D28-I80 WeakPolarHBondContact O-CG2 3.32Å; D28-I80 PolarHBondContact O-N 3.49Å; D28-R85 HydrophobicContact CB-CG 4.14Å; D28-R85 WeakPolarHBondContact OD1-CA 3.14Å; D28-E86 PolarHBondContact OD1-N 3.05Å
29	K	93.5	Very high	92.1	Very high	78 Å²	78	51.2 Å²	51.2	34%	0.339	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	142.4	175	-66.7	-178.9	179	-176.9	0	110.5	V25 I26 H27 Y31 Y76	V25-K29 CarbonylContact C-O 3.24Å; V25-K29 VanDerWaalsContact CA-O 3.3Å; V25-K29 WeakPolarHBondContact CA-O 3.05Å; I26-K29 PolarHBondContact N-O 3Å; I26-K29 WeakPolarHBondContact O-CB 3.5Å; I26-K29 PolarHBondContact O-N 2.76Å; H27-K29 PolarHBondContact O-N 2.85Å; H27-K29 VanDerWaalsContact O-N 3.09Å; K29-Y31 HydrophobicContact CB-CD2 4.43Å; K29-Y31 HydrophobicContact CB-CE2 3.55Å; K29-Y31 WeakPolarHBondContact CD-OH 3.45Å; K29-Y31 WeakPolarHBondContact O-CD2 3.08Å; K29-Y76 HydrophobicContact CB-CD2 3.89Å; K29-Y76 HydrophobicContact CB-CE2 3.66Å; K29-Y76 HydrophobicContact CD-CD2 4.07Å; K29-Y76 HydrophobicContact CD-CE2 3.85Å; K29-Y76 HydrophobicContact CG-CD2 4.23Å; K29-Y76 HydrophobicContact CG-CE2 3.69Å
30	V	95.3	Very high	92.4	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	130.6	179.7	-169.7	0	0	0	0	109.4	F8 V13 W23 V25 I77 G78 I80	F8-V30 HydrophobicContact CB-CG2 4.24Å; F8-V30 HydrophobicContact CD2-CB 4.21Å; F8-V30 HydrophobicContact CD2-CG1 4.49Å; F8-V30 HydrophobicContact CD2-CG2 4.08Å; V13-V30 HydrophobicContact CG2-CG1 3.83Å; V13-V30 HydrophobicContact CG2-CG2 4.03Å; W23-V30 HydrophobicContact CB-CG1 4.44Å; W23-V30 HydrophobicContact CE3-CG1 4.02Å; V25-V30 HydrophobicContact CG2-CG2 4.4Å; V30-I77 HydrophobicContact CB-CD1 4.44Å; V30-I77 HydrophobicContact CB-CG1 4.03Å; V30-I77 HydrophobicContact CG1-CD1 3.79Å; V30-I77 HydrophobicContact CG1-CG1 3.88Å; V30-I77 VanDerWaalsContact O-CG1 3.31Å; V30-I77 WeakPolarHBondContact O-CG1 3.25Å; V30-I77 PolarHBondContact O-N 3.46Å; V30-G78 PolarHBondContact N-O 2.83Å; V30-I80 HydrophobicContact CG2-CB 4.47Å; V30-I80 HydrophobicContact CG2-CD1 4.28Å
31	Y	95.8	Very high	92.3	Very high	5 Å²	5	48.2 Å²	48.2	2%	0.02	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	131.2	-179	-62.6	-88.5	0	0	0	110.8	W23 I24 I26 K29 M72 Y75 Y76	W23-Y31 VanDerWaalsContact CA-O 3.27Å; W23-Y31 WeakPolarHBondContact CA-O 3.35Å; I24-Y31 PolarHBondContact N-O 2.63Å; I24-Y31 PolarHBondContact O-N 2.87Å; I26-Y31 HydrophobicContact CB-CD2 4.05Å; I26-Y31 HydrophobicContact CB-CE2 3.8Å; I26-Y31 HydrophobicContact CD1-CD2 4.42Å; I26-Y31 HydrophobicContact CG1-CD2 4.31Å; K29-Y31 HydrophobicContact CB-CD2 4.43Å; K29-Y31 HydrophobicContact CB-CE2 3.55Å; K29-Y31 WeakPolarHBondContact CD-OH 3.45Å; K29-Y31 WeakPolarHBondContact O-CD2 3.08Å; Y31-M72 HydrophobicContact CD1-CG 3.81Å; Y31-M72 VanDerWaalsContact CD1-O 3.23Å; Y31-M72 WeakPolarHBondContact CD1-O 3.31Å; Y31-M72 HydrophobicContact CE1-CE 4.31Å; Y31-M72 HydrophobicContact CE1-CG 3.61Å; Y31-M72 VanDerWaalsContact CE1-O 3.25Å; Y31-M72 WeakPolarHBondContact CE1-O 3.29Å; Y31-M72 HydrophobicContact CE1-SD 4.29Å; Y31-M72 HydrophobicContact CE2-CE 4.47Å; Y31-M72 HydrophobicContact CE2-CG 4.47Å; Y31-M72 HydrophobicContact CE2-SD 4.21Å; Y31-M72 HydrophobicContact CG-CG 4.32Å; Y31-M72 WeakPolarHBondContact OH-CE 3.36Å; Y31-Y75 CarbonylContact C-O 3.59Å; Y31-Y75 VanDerWaalsContact CA-O 3.28Å; Y31-Y75 WeakPolarHBondContact CA-O 3.41Å; Y31-Y76 HydrophobicContact CE1-CD2 4.21Å
32	D	95.6	Very high	91.8	Very high	52 Å²	52	47.9 Å²	47.9	28%	0.278	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	101.4	171.4	-178.1	-1.7	0	0	0	109.7	W23 T34 Y75 I77	W23-D32 VanDerWaalsContact NE1-CG 3.28Å; W23-D32 PolarHBondContact NE1-OD1 2.85Å; D32-T34 VanDerWaalsContact OD1-CB 3.24Å; D32-T34 WeakPolarHBondContact OD1-CB 3.06Å; D32-T34 PolarHBondContact OD1-N 2.68Å; D32-T34 VanDerWaalsContact OD1-N 3.14Å; D32-T34 PolarHBondContact OD1-OG1 2.67Å; D32-Y75 PolarHBondContact N-O 3.07Å; D32-Y75 WeakPolarHBondContact O-CB 3.43Å; D32-Y75 WeakPolarHBondContact O-CD1 3.49Å; D32-I77 HydrophobicContact CB-CD1 4.24Å; D32-I77 HydrophobicContact CB-CG2 3.7Å
33	L	94.3	Very high	91.5	Very high	9 Å²	9	49.3 Å²	49.3	5%	0.047	28%	0.275	C	S	.	.			trans	-99.6	10.7	-174.2	-60.3	176.6	0	0	0	112.4	L22 I24 K35 F36 A37 L47 Y75	L22-L33 HydrophobicContact CD2-CB 3.81Å; L22-L33 HydrophobicContact CD2-CD1 4.39Å; L22-L33 PolarHBondContact O-N 2.84Å; I24-L33 HydrophobicContact CB-CD1 4.24Å; I24-L33 HydrophobicContact CD1-CD1 3.84Å; I24-L33 HydrophobicContact CG1-CD1 4.15Å; L33-K35 VanDerWaalsContact C-N 3.29Å; L33-K35 PolarHBondContact O-N 3.04Å; L33-F36 HydrophobicContact CB-CB 4.49Å; L33-F36 HydrophobicContact CD2-CB 4.34Å; L33-F36 HydrophobicContact CD2-CD1 4.15Å; L33-F36 CarbonylContact O-C 3.38Å; L33-F36 PolarHBondContact O-N 3.29Å; L33-A37 PolarHBondContact O-N 3.2Å; L33-L47 HydrophobicContact CD1-CD2 3.95Å; L33-Y75 HydrophobicContact CD2-CD2 4.25Å; L33-Y75 HydrophobicContact CD2-CG 4.01Å
34	T	92	Very high	91.1	Very high	39 Å²	39	52.5 Å²	52.5	24%	0.239	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-44.3	-177.8	-53.7	0	0	0	0	112.3	D20 L22 D32	D20-T34 VanDerWaalsContact C-CG2 3.42Å; D20-T34 WeakPolarHBondContact O-CG2 3.48Å; L22-T34 PolarHBondContact N-OG1 3.14Å; D32-T34 VanDerWaalsContact OD1-CB 3.24Å; D32-T34 WeakPolarHBondContact OD1-CB 3.06Å; D32-T34 PolarHBondContact OD1-N 2.68Å; D32-T34 VanDerWaalsContact OD1-N 3.14Å; D32-T34 PolarHBondContact OD1-OG1 2.67Å
35	K	90.7	Very high	90.7	Very high	173 Å²	173	56.3 Å²	56.3	75%	0.752	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-24.3	177.9	-65.7	-177	-178.4	177.4	0	113.6	L33	L33-K35 VanDerWaalsContact C-N 3.29Å; L33-K35 PolarHBondContact O-N 3.04Å
36	F	92.2	Very high	90.3	Very high	35 Å²	35	59.6 Å²	59.6	15%	0.154	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-20.2	-177.4	-173.4	-118.1	0	0	0	112.8	L33 S38 E39 H40 L47 V71 Y75	L33-F36 HydrophobicContact CB-CB 4.49Å; L33-F36 HydrophobicContact CD2-CB 4.34Å; L33-F36 HydrophobicContact CD2-CD1 4.15Å; L33-F36 CarbonylContact O-C 3.38Å; L33-F36 PolarHBondContact O-N 3.29Å; F36-S38 PolarHBondContact O-N 3.2Å; F36-S38 VanDerWaalsContact O-N 3.15Å; F36-E39 HydrophobicContact CD2-CB 4.03Å; F36-E39 HydrophobicContact CE2-CB 4.21Å; F36-E39 CarbonylContact O-C 3.49Å; F36-E39 WeakPolarHBondContact O-CA 3.43Å; F36-E39 PolarHBondContact O-N 3.47Å; F36-H40 HydrophobicContact CD1-CB 4.34Å; F36-H40 HydrophobicContact CE1-CB 4.03Å; F36-H40 AromaticContact CE1-CD2 3.68Å; F36-H40 HydrophobicContact CZ-CB 4.48Å; F36-H40 PolarHBondContact O-N 2.81Å; F36-L47 HydrophobicContact CD1-CD1 4.43Å; F36-V71 HydrophobicContact CE2-CG1 3.91Å; F36-V71 HydrophobicContact CZ-CG1 4.27Å; F36-Y75 HydrophobicContact CB-CD1 4.17Å; F36-Y75 HydrophobicContact CB-CD2 4.37Å; F36-Y75 HydrophobicContact CB-CE1 3.68Å; F36-Y75 HydrophobicContact CB-CE2 3.9Å; F36-Y75 HydrophobicContact CB-CG 4.5Å; F36-Y75 AromaticContact CD2-CE2 3.69Å; F36-Y75 HydrophobicContact CD2-CE2 3.69Å; F36-Y75 AromaticContact CD2-CZ 3.66Å; F36-Y75 VanDerWaalsContact CD2-OH 3.3Å; F36-Y75 WeakPolarHBondContact CD2-OH 3.34Å; F36-Y75 HydrophobicContact CE2-CE2 4.38Å; F36-Y75 HydrophobicContact CG-CD2 4.42Å; F36-Y75 HydrophobicContact CG-CE1 4.46Å; F36-Y75 AromaticContact CG-CE2 3.8Å; F36-Y75 HydrophobicContact CG-CE2 3.8Å; F36-Y75 AromaticContact CG-CZ 3.83Å
37	A	89.7	Confident	90.2	Very high	10 Å²	10	60.1 Å²	60.1	8%	0.083	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-49.8	-47.1	-173.4	0	0	0	0	0	111.9	L33 E39 H40 E44 L47	L33-A37 PolarHBondContact O-N 3.2Å; A37-E39 VanDerWaalsContact C-N 3.35Å; A37-E39 PolarHBondContact O-N 2.84Å; A37-H40 WeakPolarHBondContact O-CB 3.2Å; A37-H40 PolarHBondContact O-N 2.9Å; A37-E44 VanDerWaalsContact C-CG 3.41Å; A37-E44 HydrophobicContact CB-CG 4.24Å; A37-E44 WeakPolarHBondContact O-CG 3.36Å; A37-L47 HydrophobicContact CB-CD1 4.48Å
38	S	88.5	Confident	90	Very high	87 Å²	87	59.5 Å²	59.5	61%	0.608	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-74	-20.2	-179.7	58.2	0	0	0	0	115.1	F36 E44	F36-S38 PolarHBondContact O-N 3.2Å; F36-S38 VanDerWaalsContact O-N 3.15Å; S38-E44 WeakPolarHBondContact CA-OE1 3.27Å; S38-E44 VanDerWaalsContact CB-OE1 3.27Å; S38-E44 WeakPolarHBondContact CB-OE1 3.44Å
39	E	88.8	Confident	89.8	Confident	129 Å²	129	64.6 Å²	64.6	60%	0.603	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-92.8	-8.4	176.9	-62.7	-175.7	174.4	0	0	112.2	F36 A37 P41	F36-E39 HydrophobicContact CD2-CB 4.03Å; F36-E39 HydrophobicContact CE2-CB 4.21Å; F36-E39 CarbonylContact O-C 3.49Å; F36-E39 WeakPolarHBondContact O-CA 3.43Å; F36-E39 PolarHBondContact O-N 3.47Å; A37-E39 VanDerWaalsContact C-N 3.35Å; A37-E39 PolarHBondContact O-N 2.84Å; E39-P41 VanDerWaalsContact O-CD 3.22Å; E39-P41 WeakPolarHBondContact O-CD 3.39Å
40	H	89.9	Confident	89.7	Confident	30 Å²	30	63.2 Å²	63.2	14%	0.139	35%	0.351	C	S	.	.			trans	-66.3	117	-174.8	-177.7	-126.7	0	0	0	111.8	F36 A37 G42 G43 V46 L47	F36-H40 HydrophobicContact CD1-CB 4.34Å; F36-H40 HydrophobicContact CE1-CB 4.03Å; F36-H40 AromaticContact CE1-CD2 3.68Å; F36-H40 HydrophobicContact CZ-CB 4.48Å; F36-H40 PolarHBondContact O-N 2.81Å; A37-H40 WeakPolarHBondContact O-CB 3.2Å; A37-H40 PolarHBondContact O-N 2.9Å; H40-G42 PolarHBondContact O-N 3.2Å; H40-G43 PolarHBondContact ND1-O 3.42Å; H40-G43 WeakPolarHBondContact O-CA 3.22Å; H40-G43 PolarHBondContact O-N 3.11Å; H40-V46 VanDerWaalsContact CE1-CG2 3.43Å; H40-V46 WeakPolarHBondContact CE1-CG2 3.25Å; H40-L47 HydrophobicContact CB-CD1 3.75Å
41	P	86.2	Confident	89.5	Confident	127 Å²	127	64 Å²	64	83%	0.825	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-19.8	-178.1	-23.6	34.3	0	0	0	114.2	E39 G43	E39-P41 VanDerWaalsContact O-CD 3.22Å; E39-P41 WeakPolarHBondContact O-CD 3.39Å; P41-G43 VanDerWaalsContact C-N 3.3Å
42	G	81.4	Confident	89.3	Confident	49 Å²	49	64 Å²	64	51%	0.505	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-4.7	174.2	0	0	0	0	0	114.6	H40	H40-G42 PolarHBondContact O-N 3.2Å
43	G	85.5	Confident	89.1	Confident	31 Å²	31	64.8 Å²	64.8	32%	0.32	36%	0.363	S	S	.	.			trans	87	155.3	-172.4	0	0	0	0	0	113.1	H40 P41 T45 V46	H40-G43 PolarHBondContact ND1-O 3.42Å; H40-G43 WeakPolarHBondContact O-CA 3.22Å; H40-G43 PolarHBondContact O-N 3.11Å; P41-G43 VanDerWaalsContact C-N 3.3Å; G43-T45 PolarHBondContact O-N 3.27Å; G43-V46 WeakPolarHBondContact O-CG2 3.49Å
44	E	87.2	Confident	89	Confident	95 Å²	95	66.1 Å²	66.1	44%	0.444	37%	0.368	S	S	.	.	H	α-helix	trans	-61	-42.4	178.9	-71.3	165.3	-175.3	0	0	112.2	A37 S38 V46 L47 E48	A37-E44 VanDerWaalsContact C-CG 3.41Å; A37-E44 HydrophobicContact CB-CG 4.24Å; A37-E44 WeakPolarHBondContact O-CG 3.36Å; S38-E44 WeakPolarHBondContact CA-OE1 3.27Å; S38-E44 VanDerWaalsContact CB-OE1 3.27Å; S38-E44 WeakPolarHBondContact CB-OE1 3.44Å; E44-V46 PolarHBondContact O-N 3.27Å; E44-L47 WeakPolarHBondContact O-CB 3.41Å; E44-L47 PolarHBondContact O-N 3.45Å; E44-E48 PolarHBondContact O-N 3.17Å; E44-E48 VanDerWaalsContact O-N 3.11Å
45	T	86.4	Confident	88.9	Confident	84 Å²	84	64.5 Å²	64.5	52%	0.515	36%	0.359	S	S	.	.	H	α-helix	trans	-54.7	-27.1	-172.6	57.5	0	0	0	0	115.7	G43 Q49	G43-T45 PolarHBondContact O-N 3.27Å; T45-Q49 WeakPolarHBondContact O-CG 3.06Å; T45-Q49 PolarHBondContact O-N 2.84Å
46	V	87	Confident	88.9	Confident	69 Å²	69	57 Å²	57	42%	0.418	33%	0.328	S	S	.	.	H	α-helix	trans	-81.1	-27.1	178.7	-67.5	0	0	0	0	112.5	H40 G43 E44	H40-V46 VanDerWaalsContact CE1-CG2 3.43Å; H40-V46 WeakPolarHBondContact CE1-CG2 3.25Å; G43-V46 WeakPolarHBondContact O-CG2 3.49Å; E44-V46 PolarHBondContact O-N 3.27Å
47	L	90.2	Very high	88.5	Confident	20 Å²	20	61.7 Å²	61.7	11%	0.105	35%	0.35	C	S	.	.	H	α-helix	trans	-76.2	-41.3	172.9	-62.9	175.6	0	0	0	110	L22 I24 L33 F36 A37 H40 E44 Q49 Q50 A51	L22-L47 HydrophobicContact CD1-CB 4.03Å; L22-L47 HydrophobicContact CD2-CB 4.09Å; I24-L47 HydrophobicContact CD1-CB 4.41Å; I24-L47 HydrophobicContact CD1-CD2 3.96Å; L33-L47 HydrophobicContact CD1-CD2 3.95Å; F36-L47 HydrophobicContact CD1-CD1 4.43Å; A37-L47 HydrophobicContact CB-CD1 4.48Å; H40-L47 HydrophobicContact CB-CD1 3.75Å; E44-L47 WeakPolarHBondContact O-CB 3.41Å; E44-L47 PolarHBondContact O-N 3.45Å; L47-Q49 VanDerWaalsContact C-N 3.26Å; L47-Q49 PolarHBondContact O-N 3.17Å; L47-Q50 CarbonylContact O-C 3.6Å; L47-Q50 PolarHBondContact O-N 3.05Å; L47-A51 PolarHBondContact O-N 3.09Å
48	E	88.6	Confident	88.3	Confident	78 Å²	78	63.8 Å²	63.8	36%	0.364	36%	0.363	S	S	.	.	H	α-helix	trans	-57.4	-37.8	176.7	-67	178.2	157.3	0	0	112.7	L22 E44 Q50 A51	L22-E48 HydrophobicContact CD1-CG 4.29Å; E44-E48 PolarHBondContact O-N 3.17Å; E44-E48 VanDerWaalsContact O-N 3.11Å; E48-Q50 PolarHBondContact O-N 2.78Å; E48-A51 WeakPolarHBondContact O-CB 3.46Å; E48-A51 PolarHBondContact O-N 3.24Å
49	Q	87	Confident	88.3	Confident	156 Å²	156	60.8 Å²	60.8	73%	0.729	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-24.5	177.5	-78	175.1	14.5	0	0	113.7	T45 L47	T45-Q49 WeakPolarHBondContact O-CG 3.06Å; T45-Q49 PolarHBondContact O-N 2.84Å; L47-Q49 VanDerWaalsContact C-N 3.26Å; L47-Q49 PolarHBondContact O-N 3.17Å
50	Q	90.4	Very high	88.2	Confident	50 Å²	50	58.1 Å²	58.1	23%	0.234	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	3.8	-176.9	-149.6	63.6	31.8	0	0	112.6	I24 L47 E48 G52 D53 Y54 P58	I24-Q50 HydrophobicContact CD1-CB 3.95Å; I24-Q50 HydrophobicContact CG2-CG 4.42Å; L47-Q50 CarbonylContact O-C 3.6Å; L47-Q50 PolarHBondContact O-N 3.05Å; E48-Q50 PolarHBondContact O-N 2.78Å; Q50-G52 PolarHBondContact O-N 3.04Å; Q50-D53 PolarHBondContact O-N 2.7Å; Q50-D53 VanDerWaalsContact O-N 3.15Å; Q50-Y54 PolarHBondContact NE2-O 2.97Å; Q50-P58 HydrophobicContact CG-CG 4.23Å
51	A	91.1	Very high	87.6	Confident	16 Å²	16	59.9 Å²	59.9	13%	0.132	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	127.2	-178.9	0	0	0	0	0	110.8	N17 L22 L47 E48	N17-A51 HydrophobicContact CB-CB 4.44Å; L22-A51 HydrophobicContact CD1-CB 4.07Å; L22-A51 HydrophobicContact CD2-CB 4.43Å; L22-A51 HydrophobicContact CG-CB 3.72Å; L47-A51 PolarHBondContact O-N 3.09Å; E48-A51 WeakPolarHBondContact O-CB 3.46Å; E48-A51 PolarHBondContact O-N 3.24Å
52	G	91.5	Very high	87.4	Confident	4 Å²	4	58.7 Å²	58.7	4%	0.041	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.3	10.6	-178.3	0	0	0	0	0	115.4	V13 R14 H16 W23 Q50	V13-G52 WeakPolarHBondContact O-CA 3.42Å; R14-G52 VanDerWaalsContact CG-O 3.22Å; R14-G52 WeakPolarHBondContact CG-O 3.43Å; H16-G52 PolarHBondContact O-N 3.5Å; W23-G52 PolarHBondContact O-N 3.07Å; Q50-G52 PolarHBondContact O-N 3.04Å
53	D	92.2	Very high	87.4	Confident	69 Å²	69	59 Å²	59	37%	0.369	33%	0.33	S	S	.	.	S	Bend	trans	-138	-178.5	-176.8	-150.3	-6	0	0	0	113.4	V25 Q50 G55	V25-D53 PolarHBondContact N-O 3.35Å; V25-D53 VanDerWaalsContact N-O 3.1Å; Q50-D53 PolarHBondContact O-N 2.7Å; Q50-D53 VanDerWaalsContact O-N 3.15Å; D53-G55 PolarHBondContact O-N 2.89Å
54	Y	92.2	Very high	87.4	Confident	38 Å²	38	59.7 Å²	59.7	15%	0.149	33%	0.325	C	S	.	.	B	Isolated β-bridge	trans	-72.2	114.3	178.1	-66.5	-78.3	0	0	0	112.5	L10 V25 Q50 D84 E86	L10-Y54 HydrophobicContact CD1-CD2 4.38Å; L10-Y54 HydrophobicContact CD1-CE2 3.63Å; L10-Y54 HydrophobicContact CD2-CE2 3.8Å; L10-Y54 HydrophobicContact CG-CE2 4.36Å; V25-Y54 HydrophobicContact CB-CD1 3.84Å; V25-Y54 HydrophobicContact CB-CE1 4.11Å; V25-Y54 HydrophobicContact CG1-CD1 3.86Å; V25-Y54 HydrophobicContact CG1-CE1 3.84Å; V25-Y54 HydrophobicContact CG2-CE1 4.5Å; V25-Y54 CarbonylContact O-C 3.6Å; Q50-Y54 PolarHBondContact NE2-O 2.97Å; Y54-D84 PolarHBondContact OH-O 3.39Å; Y54-E86 HydrophobicContact CD1-CB 4.34Å; Y54-E86 HydrophobicContact CD1-CG 4.17Å; Y54-E86 HydrophobicContact CE1-CB 4.28Å; Y54-E86 HydrophobicContact CE1-CG 4.45Å; Y54-E86 HydrophobicContact CG-CG 4.45Å
55	G	90.5	Very high	87.3	Confident	4 Å²	4	58.3 Å²	58.3	4%	0.041	33%	0.325	C	S	.	.			trans	-98.5	4.7	175.8	0	0	0	0	0	115.5	V25 D53 E57 P58 F59	V25-G55 PolarHBondContact O-N 3.03Å; D53-G55 PolarHBondContact O-N 2.89Å; G55-E57 PolarHBondContact O-N 3.07Å; G55-P58 VanDerWaalsContact O-CD 3.29Å; G55-P58 WeakPolarHBondContact O-CD 3.19Å; G55-P58 WeakPolarHBondContact O-CG 3.05Å; G55-F59 WeakPolarHBondContact O-CB 3.26Å; G55-F59 PolarHBondContact O-N 2.8Å
56	T	91.3	Very high	87.1	Confident	17 Å²	17	58 Å²	58	10%	0.104	33%	0.327	C	S	.	.	H	α-helix	trans	-55.7	-50.1	-176.7	-47	0	0	0	0	112.8	H27 F59 E60 E86	H27-T56 VanDerWaalsContact CE1-CG2 3.45Å; H27-T56 WeakPolarHBondContact CE1-CG2 3.48Å; H27-T56 PolarHBondContact N-OG1 3.12Å; H27-T56 VanDerWaalsContact ND1-CG2 3.35Å; H27-T56 WeakPolarHBondContact ND1-CG2 3.44Å; T56-F59 PolarHBondContact O-N 2.96Å; T56-E60 PolarHBondContact O-N 3.4Å; T56-E86 WeakPolarHBondContact CB-OE2 3.44Å; T56-E86 PolarHBondContact OG1-OE2 3.13Å; T56-E86 VanDerWaalsContact OG1-OE2 3.07Å
57	E	83.5	Confident	87	Confident	132 Å²	132	59.5 Å²	59.5	62%	0.617	33%	0.332	S	S	*	.	H	α-helix	trans	-62	-54.9	-179.2	-176.4	176.6	-162.9	0	0	112.5	G55 F59 E60 D61	G55-E57 PolarHBondContact O-N 3.07Å; E57-F59 VanDerWaalsContact C-N 3.29Å; E57-F59 PolarHBondContact O-N 3.29Å; E57-E60 PolarHBondContact O-N 3.19Å; E57-D61 VanDerWaalsContact O-CB 3.3Å; E57-D61 WeakPolarHBondContact O-CB 3.45Å; E57-D61 PolarHBondContact O-N 3.01Å
58	P	84.6	Confident	86.9	Confident	55 Å²	55	60 Å²	60	36%	0.357	34%	0.34	S	S	.	.	H	α-helix	trans	-63.6	-33.2	178.2	21.4	-30.1	0	0	0	113	Q50 G55 V62	Q50-P58 HydrophobicContact CG-CG 4.23Å; G55-P58 VanDerWaalsContact O-CD 3.29Å; G55-P58 WeakPolarHBondContact O-CD 3.19Å; G55-P58 WeakPolarHBondContact O-CG 3.05Å; P58-V62 VanDerWaalsContact O-CG2 3.24Å; P58-V62 WeakPolarHBondContact O-CG2 3.22Å; P58-V62 PolarHBondContact O-N 3.35Å
59	F	89.2	Confident	87	Confident	24 Å²	24	60.2 Å²	60.2	11%	0.105	34%	0.337	C	S	.	.	H	α-helix	trans	-63.8	-46.2	177.3	-176	-95.6	0	0	0	112.7	I26 G55 T56 E57 H64 R69 M72	I26-F59 HydrophobicContact CD1-CB 4.23Å; I26-F59 HydrophobicContact CD1-CD2 3.81Å; I26-F59 HydrophobicContact CD1-CE2 4.39Å; I26-F59 HydrophobicContact CD1-CG 4.05Å; I26-F59 HydrophobicContact CG2-CB 4.28Å; I26-F59 HydrophobicContact CG2-CD1 3.97Å; I26-F59 HydrophobicContact CG2-CG 4.08Å; G55-F59 WeakPolarHBondContact O-CB 3.26Å; G55-F59 PolarHBondContact O-N 2.8Å; T56-F59 PolarHBondContact O-N 2.96Å; E57-F59 VanDerWaalsContact C-N 3.29Å; E57-F59 PolarHBondContact O-N 3.29Å; F59-H64 AromaticContact CD2-CE1 3.64Å; F59-H64 AromaticContact CD2-ND1 3.44Å; F59-H64 WeakPolarHBondContact CD2-ND1 3.14Å; F59-H64 HydrophobicContact CE1-CB 4.44Å; F59-H64 HydrophobicContact CE2-CB 4.23Å; F59-H64 AromaticContact CE2-CE1 3.89Å; F59-H64 AromaticContact CE2-CG 3.75Å; F59-H64 AromaticContact CE2-ND1 3.49Å; F59-H64 WeakPolarHBondContact CE2-ND1 3.49Å; F59-H64 AromaticContact CG-ND1 3.86Å; F59-H64 HydrophobicContact CZ-CB 3.96Å; F59-H64 AromaticContact CZ-CG 3.99Å; F59-H64 AromaticContact CZ-ND1 3.94Å; F59-H64 PolarHBondContact O-ND1 2.99Å; F59-R69 HydrophobicContact CE1-CG 4.1Å; F59-R69 HydrophobicContact CZ-CG 3.97Å; F59-M72 HydrophobicContact CD2-SD 4.36Å; F59-M72 HydrophobicContact CE1-CE 4.38Å; F59-M72 HydrophobicContact CE1-SD 4.14Å; F59-M72 HydrophobicContact CE2-SD 3.67Å; F59-M72 HydrophobicContact CZ-CE 4.09Å; F59-M72 HydrophobicContact CZ-SD 3.54Å; F59-M72 VanDerWaalsContact CZ-SD 3.54Å
60	E	87.1	Confident	87.1	Confident	73 Å²	73	58.9 Å²	58.9	34%	0.341	33%	0.331	S	S	.	.	H	α-helix	trans	-74.6	-34.3	178.2	-69.8	-59.1	149.3	0	0	112.4	H27 T56 E57 V62 G63 R69	H27-E60 IonicContact CD2-OE1 3.94Å; H27-E60 IonicContact CE1-OE1 3.44Å; H27-E60 PolarHBondContact CE1-OE1 3.05Å; H27-E60 IonicContact NE2-OE1 2.76Å; H27-E60 PolarHBondContact NE2-OE1 3.48Å; T56-E60 PolarHBondContact O-N 3.4Å; E57-E60 PolarHBondContact O-N 3.19Å; E60-V62 VanDerWaalsContact C-N 3.29Å; E60-V62 PolarHBondContact O-N 3.41Å; E60-G63 PolarHBondContact O-N 2.99Å; E60-G63 VanDerWaalsContact O-N 3.17Å; E60-R69 IonicContact OE1-CZ 3.73Å; E60-R69 IonicContact OE1-NE 2.91Å; E60-R69 IonicContact OE1-NH2 3.95Å; E60-R69 PolarHBondContact OE1-NH2 3.07Å; E60-R69 VanDerWaalsContact OE1-NH2 3.16Å; E60-R69 IonicContact OE2-NH2 2.97Å; E60-R69 PolarHBondContact OE2-NH2 3.38Å
61	D	76.8	Confident	87.1	Confident	67 Å²	67	58.9 Å²	58.9	36%	0.358	33%	0.334	S	S	.	.	H	α-helix	trans	-68.2	-26.9	179.8	-97.1	-3.4	0	0	0	113.7	E57 R126 K129	E57-D61 VanDerWaalsContact O-CB 3.3Å; E57-D61 WeakPolarHBondContact O-CB 3.45Å; E57-D61 PolarHBondContact O-N 3.01Å; D61-R126 PolarHBondContact O-NH1 2.93Å; D61-K129 IonicContact OD1-NZ 3.54Å
62	V	82.2	Confident	87.1	Confident	102 Å²	102	59.1 Å²	59.1	62%	0.618	33%	0.333	S	S	*	.	H	α-helix	trans	-74.5	-31.2	173.7	171.1	0	0	0	0	111.6	P58 E60	P58-V62 VanDerWaalsContact O-CG2 3.24Å; P58-V62 WeakPolarHBondContact O-CG2 3.22Å; P58-V62 PolarHBondContact O-N 3.35Å; E60-V62 VanDerWaalsContact C-N 3.29Å; E60-V62 PolarHBondContact O-N 3.41Å
63	G	81.5	Confident	87	Confident	55 Å²	55	65 Å²	65	57%	0.567	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.1	60.1	179.7	0	0	0	0	0	113	E60	E60-G63 PolarHBondContact O-N 2.99Å; E60-G63 VanDerWaalsContact O-N 3.17Å
64	H	85.4	Confident	87	Confident	46 Å²	46	68.6 Å²	68.6	21%	0.213	37%	0.374	C	S	.	.			trans	-59.5	150.2	174.4	-68.8	93.4	0	0	0	112.1	F59 A68 R69	F59-H64 AromaticContact CD2-CE1 3.64Å; F59-H64 AromaticContact CD2-ND1 3.44Å; F59-H64 WeakPolarHBondContact CD2-ND1 3.14Å; F59-H64 HydrophobicContact CE1-CB 4.44Å; F59-H64 HydrophobicContact CE2-CB 4.23Å; F59-H64 AromaticContact CE2-CE1 3.89Å; F59-H64 AromaticContact CE2-CG 3.75Å; F59-H64 AromaticContact CE2-ND1 3.49Å; F59-H64 WeakPolarHBondContact CE2-ND1 3.49Å; F59-H64 AromaticContact CG-ND1 3.86Å; F59-H64 HydrophobicContact CZ-CB 3.96Å; F59-H64 AromaticContact CZ-CG 3.99Å; F59-H64 AromaticContact CZ-ND1 3.94Å; F59-H64 PolarHBondContact O-ND1 2.99Å; H64-A68 HydrophobicContact CB-CB 3.93Å; H64-R69 PolarHBondContact O-NH1 3.02Å
65	S	84.1	Confident	87.1	Confident	65 Å²	65	68.8 Å²	68.8	46%	0.455	38%	0.375	S	S	.	.			trans	-72.1	173	176.8	57.5	0	0	0	0	112.4	D67 A68 R69	S65-D67 VanDerWaalsContact C-N 3.31Å; S65-A68 PolarHBondContact O-N 3.37Å; S65-A68 PolarHBondContact OG-N 2.95Å; S65-R69 PolarHBondContact O-N 2.9Å
66	S	83.3	Confident	87.3	Confident	77 Å²	77	72.4 Å²	72.4	54%	0.538	39%	0.388	S	S	.	.	H	α-helix	trans	-55	-49	167.6	42.1	0	0	0	0	111	A68 R69 E70	S66-A68 VanDerWaalsContact C-N 3.3Å; S66-A68 PolarHBondContact O-N 3.16Å; S66-R69 WeakPolarHBondContact O-CA 3.37Å; S66-R69 WeakPolarHBondContact O-CB 3.4Å; S66-R69 PolarHBondContact O-N 3.33Å; S66-E70 PolarHBondContact O-N 3.41Å
67	D	84.5	Confident	87.4	Confident	101 Å²	101	73.9 Å²	73.9	54%	0.54	40%	0.395	S	S	.	.	H	α-helix	trans	-62.8	-38.3	-176.1	-46.4	-4	0	0	0	111.2	S65 R69 E70 V71	S65-D67 VanDerWaalsContact C-N 3.31Å; D67-R69 VanDerWaalsContact C-N 3.3Å; D67-R69 PolarHBondContact O-N 3.24Å; D67-E70 PolarHBondContact O-N 3.44Å; D67-V71 WeakPolarHBondContact O-CG2 3.3Å; D67-V71 PolarHBondContact O-N 3.44Å
68	A	87.6	Confident	87.8	Confident	32 Å²	32	67.7 Å²	67.7	26%	0.264	37%	0.366	S	S	.	.	H	α-helix	trans	-66.1	-32.5	175.4	0	0	0	0	0	112.5	H64 S65 S66 M72	H64-A68 HydrophobicContact CB-CB 3.93Å; S65-A68 PolarHBondContact O-N 3.37Å; S65-A68 PolarHBondContact OG-N 2.95Å; S66-A68 VanDerWaalsContact C-N 3.3Å; S66-A68 PolarHBondContact O-N 3.16Å; A68-M72 WeakPolarHBondContact O-CB 3.35Å; A68-M72 PolarHBondContact O-N 3.22Å; A68-M72 VanDerWaalsContact O-N 3.1Å
69	R	90.7	Very high	88.2	Confident	82 Å²	82	68.2 Å²	68.2	31%	0.309	36%	0.363	S	S	.	.	H	α-helix	trans	-71.3	-36.9	172.7	-71.8	-174.2	176	80.8	-0.6	111.5	F59 E60 H64 S65 S66 D67 M72 E73	F59-R69 HydrophobicContact CE1-CG 4.1Å; F59-R69 HydrophobicContact CZ-CG 3.97Å; E60-R69 IonicContact OE1-CZ 3.73Å; E60-R69 IonicContact OE1-NE 2.91Å; E60-R69 IonicContact OE1-NH2 3.95Å; E60-R69 PolarHBondContact OE1-NH2 3.07Å; E60-R69 VanDerWaalsContact OE1-NH2 3.16Å; E60-R69 IonicContact OE2-NH2 2.97Å; E60-R69 PolarHBondContact OE2-NH2 3.38Å; H64-R69 PolarHBondContact O-NH1 3.02Å; S65-R69 PolarHBondContact O-N 2.9Å; S66-R69 WeakPolarHBondContact O-CA 3.37Å; S66-R69 WeakPolarHBondContact O-CB 3.4Å; S66-R69 PolarHBondContact O-N 3.33Å; D67-R69 VanDerWaalsContact C-N 3.3Å; D67-R69 PolarHBondContact O-N 3.24Å; R69-M72 WeakPolarHBondContact O-CB 3.01Å; R69-M72 PolarHBondContact O-N 2.61Å; R69-E73 PolarHBondContact O-N 3.47Å
70	E	89.2	Confident	88.4	Confident	127 Å²	127	67 Å²	67	59%	0.593	36%	0.358	S	S	*	.	H	α-helix	trans	-64.5	-41.9	174.1	-68.8	179.1	-175.2	0	0	112.1	S66 D67 M72 E73	S66-E70 PolarHBondContact O-N 3.41Å; D67-E70 PolarHBondContact O-N 3.44Å; E70-M72 VanDerWaalsContact C-N 3.33Å; E70-M72 PolarHBondContact O-N 2.77Å; E70-E73 PolarHBondContact O-N 2.68Å
71	V	90.2	Very high	88.5	Confident	51 Å²	51	64.2 Å²	64.2	31%	0.309	35%	0.347	S	S	.	.	H	α-helix	trans	-62.1	-42.4	174	172.6	0	0	0	0	110.9	F36 D67 E73 Q74 Y75	F36-V71 HydrophobicContact CE2-CG1 3.91Å; F36-V71 HydrophobicContact CZ-CG1 4.27Å; D67-V71 WeakPolarHBondContact O-CG2 3.3Å; D67-V71 PolarHBondContact O-N 3.44Å; V71-E73 VanDerWaalsContact C-N 3.25Å; V71-E73 PolarHBondContact O-N 3.5Å; V71-Q74 WeakPolarHBondContact O-CB 3.14Å; V71-Q74 WeakPolarHBondContact O-CG 3.15Å; V71-Q74 PolarHBondContact O-N 2.76Å; V71-Q74 VanDerWaalsContact O-N 3.12Å; V71-Y75 HydrophobicContact CG1-CE2 3.98Å; V71-Y75 WeakPolarHBondContact O-CD2 3.48Å
72	M	91.3	Very high	89	Confident	21 Å²	21	65.6 Å²	65.6	10%	0.103	36%	0.36	C	S	.	.	H	α-helix	trans	-57.8	-36.7	177.9	-177.6	-172.3	66.3	0	0	112.3	I26 Y31 F59 A68 R69 E70 Q74 Y75	I26-M72 HydrophobicContact CD1-SD 3.79Å; I26-M72 HydrophobicContact CG2-SD 4.22Å; Y31-M72 HydrophobicContact CD1-CG 3.81Å; Y31-M72 VanDerWaalsContact CD1-O 3.23Å; Y31-M72 WeakPolarHBondContact CD1-O 3.31Å; Y31-M72 HydrophobicContact CE1-CE 4.31Å; Y31-M72 HydrophobicContact CE1-CG 3.61Å; Y31-M72 VanDerWaalsContact CE1-O 3.25Å; Y31-M72 WeakPolarHBondContact CE1-O 3.29Å; Y31-M72 HydrophobicContact CE1-SD 4.29Å; Y31-M72 HydrophobicContact CE2-CE 4.47Å; Y31-M72 HydrophobicContact CE2-CG 4.47Å; Y31-M72 HydrophobicContact CE2-SD 4.21Å; Y31-M72 HydrophobicContact CG-CG 4.32Å; Y31-M72 WeakPolarHBondContact OH-CE 3.36Å; F59-M72 HydrophobicContact CD2-SD 4.36Å; F59-M72 HydrophobicContact CE1-CE 4.38Å; F59-M72 HydrophobicContact CE1-SD 4.14Å; F59-M72 HydrophobicContact CE2-SD 3.67Å; F59-M72 HydrophobicContact CZ-CE 4.09Å; F59-M72 HydrophobicContact CZ-SD 3.54Å; F59-M72 VanDerWaalsContact CZ-SD 3.54Å; A68-M72 WeakPolarHBondContact O-CB 3.35Å; A68-M72 PolarHBondContact O-N 3.22Å; A68-M72 VanDerWaalsContact O-N 3.1Å; R69-M72 WeakPolarHBondContact O-CB 3.01Å; R69-M72 PolarHBondContact O-N 2.61Å; E70-M72 VanDerWaalsContact C-N 3.33Å; E70-M72 PolarHBondContact O-N 2.77Å; M72-Q74 PolarHBondContact O-N 3.44Å; M72-Y75 PolarHBondContact O-N 3.45Å; M72-Y75 VanDerWaalsContact O-N 3.1Å
73	E	90.6	Very high	89.1	Confident	126 Å²	126	64.7 Å²	64.7	59%	0.589	36%	0.363	S	S	*	.	H	α-helix	trans	-60.4	-25.3	179.1	-70.9	-173.4	167.6	0	0	113.5	R69 E70 V71 Y75 Y76	R69-E73 PolarHBondContact O-N 3.47Å; E70-E73 PolarHBondContact O-N 2.68Å; V71-E73 VanDerWaalsContact C-N 3.25Å; V71-E73 PolarHBondContact O-N 3.5Å; E73-Y75 PolarHBondContact O-N 3.33Å; E73-Y76 WeakPolarHBondContact O-CB 3.3Å; E73-Y76 PolarHBondContact O-N 2.76Å
74	Q	91.6	Very high	89.4	Confident	146 Å²	146	64.7 Å²	64.7	68%	0.682	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-22.6	178.1	-56.7	179.4	14.6	0	0	113.1	V71 M72	V71-Q74 WeakPolarHBondContact O-CB 3.14Å; V71-Q74 WeakPolarHBondContact O-CG 3.15Å; V71-Q74 PolarHBondContact O-N 2.76Å; V71-Q74 VanDerWaalsContact O-N 3.12Å; M72-Q74 PolarHBondContact O-N 3.44Å
75	Y	93.9	Very high	89.3	Confident	42 Å²	42	67.1 Å²	67.1	17%	0.165	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	6.4	-177.2	-60.2	-77	0	0	0	113	Y31 D32 L33 F36 V71 M72 E73 I77	Y31-Y75 CarbonylContact C-O 3.59Å; Y31-Y75 VanDerWaalsContact CA-O 3.28Å; Y31-Y75 WeakPolarHBondContact CA-O 3.41Å; D32-Y75 PolarHBondContact N-O 3.07Å; D32-Y75 WeakPolarHBondContact O-CB 3.43Å; D32-Y75 WeakPolarHBondContact O-CD1 3.49Å; L33-Y75 HydrophobicContact CD2-CD2 4.25Å; L33-Y75 HydrophobicContact CD2-CG 4.01Å; F36-Y75 HydrophobicContact CB-CD1 4.17Å; F36-Y75 HydrophobicContact CB-CD2 4.37Å; F36-Y75 HydrophobicContact CB-CE1 3.68Å; F36-Y75 HydrophobicContact CB-CE2 3.9Å; F36-Y75 HydrophobicContact CB-CG 4.5Å; F36-Y75 AromaticContact CD2-CE2 3.69Å; F36-Y75 HydrophobicContact CD2-CE2 3.69Å; F36-Y75 AromaticContact CD2-CZ 3.66Å; F36-Y75 VanDerWaalsContact CD2-OH 3.3Å; F36-Y75 WeakPolarHBondContact CD2-OH 3.34Å; F36-Y75 HydrophobicContact CE2-CE2 4.38Å; F36-Y75 HydrophobicContact CG-CD2 4.42Å; F36-Y75 HydrophobicContact CG-CE1 4.46Å; F36-Y75 AromaticContact CG-CE2 3.8Å; F36-Y75 HydrophobicContact CG-CE2 3.8Å; F36-Y75 AromaticContact CG-CZ 3.83Å; V71-Y75 HydrophobicContact CG1-CE2 3.98Å; V71-Y75 WeakPolarHBondContact O-CD2 3.48Å; M72-Y75 PolarHBondContact O-N 3.45Å; M72-Y75 VanDerWaalsContact O-N 3.1Å; E73-Y75 PolarHBondContact O-N 3.33Å; Y75-I77 PolarHBondContact O-N 3.04Å
76	Y	94.1	Very high	88.7	Confident	80 Å²	80	67.9 Å²	67.9	31%	0.314	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	128	-179.5	174.3	-103.3	0	0	0	111.9	K29 Y31 E73 G78 E79	K29-Y76 HydrophobicContact CB-CD2 3.89Å; K29-Y76 HydrophobicContact CB-CE2 3.66Å; K29-Y76 HydrophobicContact CD-CD2 4.07Å; K29-Y76 HydrophobicContact CD-CE2 3.85Å; K29-Y76 HydrophobicContact CG-CD2 4.23Å; K29-Y76 HydrophobicContact CG-CE2 3.69Å; Y31-Y76 HydrophobicContact CE1-CD2 4.21Å; E73-Y76 WeakPolarHBondContact O-CB 3.3Å; E73-Y76 PolarHBondContact O-N 2.76Å; Y76-G78 WeakPolarHBondContact CE2-O 3.13Å; Y76-E79 VanDerWaalsContact OH-CG 3.27Å; Y76-E79 WeakPolarHBondContact OH-CG 3.38Å
77	I	93.9	Very high	87.5	Confident	48 Å²	48	74.5 Å²	74.5	25%	0.246	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	-17.1	-179.1	59.4	163.3	0	0	0	114.4	F8 W23 V30 D32 Y75	F8-I77 HydrophobicContact CE2-CB 4.4Å; F8-I77 HydrophobicContact CE2-CD1 4.01Å; F8-I77 HydrophobicContact CE2-CG1 4.01Å; F8-I77 HydrophobicContact CZ-CD1 4.04Å; F8-I77 HydrophobicContact CZ-CG1 4.43Å; W23-I77 HydrophobicContact CD2-CD1 3.58Å; W23-I77 HydrophobicContact CE3-CD1 3.61Å; W23-I77 HydrophobicContact CG-CD1 4.31Å; W23-I77 HydrophobicContact CH2-CD1 3.67Å; W23-I77 HydrophobicContact CZ2-CD1 3.62Å; W23-I77 HydrophobicContact CZ3-CD1 3.65Å; V30-I77 HydrophobicContact CB-CD1 4.44Å; V30-I77 HydrophobicContact CB-CG1 4.03Å; V30-I77 HydrophobicContact CG1-CD1 3.79Å; V30-I77 HydrophobicContact CG1-CG1 3.88Å; V30-I77 VanDerWaalsContact O-CG1 3.31Å; V30-I77 WeakPolarHBondContact O-CG1 3.25Å; V30-I77 PolarHBondContact O-N 3.46Å; D32-I77 HydrophobicContact CB-CD1 4.24Å; D32-I77 HydrophobicContact CB-CG2 3.7Å; Y75-I77 PolarHBondContact O-N 3.04Å
78	G	92.9	Very high	85.6	Confident	1 Å²	1	79.9 Å²	79.9	1%	0.01	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163.2	-172.9	179.1	0	0	0	0	0	114.1	K6 V30 Y76	K6-G78 CarbonylContact O-C 3.58Å; K6-G78 WeakPolarHBondContact O-CA 3.41Å; V30-G78 PolarHBondContact N-O 2.83Å; Y76-G78 WeakPolarHBondContact CE2-O 3.13Å
79	E	92.9	Very high	83	Confident	66 Å²	66	82.4 Å²	82.4	31%	0.308	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	152.3	179.3	-65.7	-169.8	-171.4	0	0	111.8	V5 K6 V7 F8 Y76 R85	V5-E79 HydrophobicContact CG1-CB 4.35Å; V5-E79 HydrophobicContact CG1-CG 3.82Å; K6-E79 PolarHBondContact O-N 2.96Å; V7-E79 CarbonylContact C-O 3.55Å; V7-E79 WeakPolarHBondContact CA-O 3.19Å; F8-E79 PolarHBondContact N-O 3.36Å; Y76-E79 VanDerWaalsContact OH-CG 3.27Å; Y76-E79 WeakPolarHBondContact OH-CG 3.38Å; E79-R85 IonicContact OE2-NH2 3Å; E79-R85 PolarHBondContact OE2-NH2 3.1Å
80	I	92.6	Very high	80.2	Confident	0 Å²	0	87.4 Å²	87.4	0%	0	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	144	169.5	-157.1	72.2	0	0	0	110.1	F8 L10 V13 V25 D28 V30 D84 R85	F8-I80 CarbonylContact O-C 3.59Å; F8-I80 WeakPolarHBondContact O-CA 3.38Å; L10-I80 HydrophobicContact CB-CD1 4.49Å; V13-I80 HydrophobicContact CG2-CD1 3.92Å; V25-I80 HydrophobicContact CG1-CB 4.28Å; V25-I80 HydrophobicContact CG2-CD1 4.05Å; D28-I80 HydrophobicContact CB-CG2 3.87Å; D28-I80 WeakPolarHBondContact O-CG2 3.32Å; D28-I80 PolarHBondContact O-N 3.49Å; V30-I80 HydrophobicContact CG2-CB 4.47Å; V30-I80 HydrophobicContact CG2-CD1 4.28Å; I80-D84 HydrophobicContact CG1-CB 3.86Å; I80-R85 HydrophobicContact CG2-CB 4.31Å; I80-R85 HydrophobicContact CG2-CG 3.52Å
81	A	89.5	Confident	77.5	Confident	13 Å²	13	88.7 Å²	88.7	11%	0.107	43%	0.429	C	S	.	.			trans	-54.2	138.7	178	0	0	0	0	0	110.9	V7 F8 T9 A83 D84 R85	V7-A81 HydrophobicContact CG1-CB 3.97Å; F8-A81 PolarHBondContact O-N 2.95Å; T9-A81 HydrophobicContact CG2-CB 4.42Å; A81-A83 PolarHBondContact O-N 3.41Å; A81-D84 PolarHBondContact O-N 2.95Å; A81-R85 PolarHBondContact O-N 2.66Å; A81-R85 VanDerWaalsContact O-N 3.15Å
82	P	86.2	Confident	74.6	Confident	97 Å²	97	91.5 Å²	91.5	63%	0.63	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-28.3	-177.4	-28	34.3	0	0	0	114.9	D84	P82-D84 VanDerWaalsContact C-N 3.34Å
83	A	85.5	Confident	71.7	Confident	83 Å²	83	96.6 Å²	96.6	69%	0.686	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-28.8	177	0	0	0	0	0	113.4	A81	A81-A83 PolarHBondContact O-N 3.41Å
84	D	86.9	Confident	68.9	Low	54 Å²	54	94.4 Å²	94.4	29%	0.289	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-18.7	-176.2	-68.9	-29.6	0	0	0	112.6	T9 L10 Y54 I80 A81 P82 E86	T9-D84 WeakPolarHBondContact CA-OD2 3.48Å; L10-D84 HydrophobicContact CB-CB 4.06Å; L10-D84 PolarHBondContact N-OD2 2.72Å; Y54-D84 PolarHBondContact OH-O 3.39Å; I80-D84 HydrophobicContact CG1-CB 3.86Å; A81-D84 PolarHBondContact O-N 2.95Å; P82-D84 VanDerWaalsContact C-N 3.34Å; D84-E86 PolarHBondContact O-N 3.48Å
85	R	84.9	Confident	66.2	Low	97 Å²	97	97.7 Å²	97.7	37%	0.366	50%	0.495	S	S	.	.	S	Bend	trans	-42.1	139.4	178.1	-73.2	-177.3	-177.7	-178.9	-5.6	112.9	D28 E79 I80 A81 R87	D28-R85 HydrophobicContact CB-CG 4.14Å; D28-R85 WeakPolarHBondContact OD1-CA 3.14Å; E79-R85 IonicContact OE2-NH2 3Å; E79-R85 PolarHBondContact OE2-NH2 3.1Å; I80-R85 HydrophobicContact CG2-CB 4.31Å; I80-R85 HydrophobicContact CG2-CG 3.52Å; A81-R85 PolarHBondContact O-N 2.66Å; A81-R85 VanDerWaalsContact O-N 3.15Å; R85-R87 PolarHBondContact O-N 3.11Å
86	E	70.3	Confident	63.3	Low	82 Å²	82	99.7 Å²	99.7	38%	0.383	51%	0.512	S	S	.	.			trans	-61.8	102.7	-172.2	-148.7	177.3	178.7	0	0	108.8	D28 Y54 T56 D84 K88	D28-E86 PolarHBondContact OD1-N 3.05Å; Y54-E86 HydrophobicContact CD1-CB 4.34Å; Y54-E86 HydrophobicContact CD1-CG 4.17Å; Y54-E86 HydrophobicContact CE1-CB 4.28Å; Y54-E86 HydrophobicContact CE1-CG 4.45Å; Y54-E86 HydrophobicContact CG-CG 4.45Å; T56-E86 WeakPolarHBondContact CB-OE2 3.44Å; T56-E86 PolarHBondContact OG1-OE2 3.13Å; T56-E86 VanDerWaalsContact OG1-OE2 3.07Å; D84-E86 PolarHBondContact O-N 3.48Å; E86-K88 PolarHBondContact O-N 3.15Å
87	R	58.3	Low	60.4	Low	216 Å²	216	102.7 Å²	102.7	82%	0.815	53%	0.532	S	S	*	.			trans	-58.9	119.4	-177.6	-70.2	-176.1	-163.8	166.7	6.4	107.3	R85 S89	R85-R87 PolarHBondContact O-N 3.11Å; R87-S89 PolarHBondContact O-N 3.36Å
88	K	43.6	Very low	57.6	Low	214 Å²	214	109.2 Å²	109.2	93%	0.93	56%	0.559	S	S	*	*			trans	-60.5	67.5	164.6	-67.6	-176.9	-178.5	177.7	0	109.3	E86 K90	E86-K88 PolarHBondContact O-N 3.15Å; K88-K90 PolarHBondContact O-N 2.78Å
89	S	33.5	Very low	55.1	Low	84 Å²	84	117.7 Å²	117.7	59%	0.587	60%	0.596	S	S	*	*			trans	-72.6	122.2	-178.7	80.1	0	0	0	0	106.9	R87 F91	R87-S89 PolarHBondContact O-N 3.36Å; S89-F91 PolarHBondContact O-N 3.37Å
90	K	32.1	Very low	52.3	Low	188 Å²	188	119.1 Å²	119.1	82%	0.817	60%	0.604	S	S	*	*			trans	-46.8	105.7	164.3	-69.3	172.6	176.9	175.9	0	106.4	K88 T92	K88-K90 PolarHBondContact O-N 2.78Å; K90-T92 PolarHBondContact O-N 3.37Å; K90-T92 PolarHBondContact O-OG1 3.01Å
91	F	33.1	Very low	49.6	Very low	154 Å²	154	124.3 Å²	124.3	68%	0.675	63%	0.632	S	S	*	*			trans	-62.4	84.1	175.1	-117.2	-94.1	0	0	0	107.7	S89 R136	S89-F91 PolarHBondContact O-N 3.37Å; F91-R136 PolarHBondContact O-NH2 3.12Å
92	T	30	Very low	47.2	Very low	110 Å²	110	129.9 Å²	129.9	68%	0.675	66%	0.66	S	S	*	*			trans	-94.4	124.8	160.4	41.8	0	0	0	0	106.3	K90 S94	K90-T92 PolarHBondContact O-N 3.37Å; K90-T92 PolarHBondContact O-OG1 3.01Å; T92-S94 PolarHBondContact O-N 3.05Å
93	S	30.2	Very low	44.9	Very low	128 Å²	128	133.6 Å²	133.6	90%	0.895	67%	0.667	S	S	*	*	S	Bend	trans	-56.8	90.7	-179.1	48.5	0	0	0	0	112.3
94	S	30.6	Very low	42.5	Very low	80 Å²	80	138.8 Å²	138.8	56%	0.559	67%	0.669	S	S	*	*			trans	-146	30.7	168.5	70.2	0	0	0	0	113.1	T92 T96	T92-S94 PolarHBondContact O-N 3.05Å; S94-T96 PolarHBondContact O-N 2.72Å; S94-T96 PolarHBondContact O-OG1 2.97Å
95	F	35.4	Very low	40.4	Very low	215 Å²	215	141.2 Å²	141.2	94%	0.943	69%	0.69	S	S	*	*			trans	-73.7	68.6	157.6	-106.4	-92.5	0	0	0	109.2
96	T	32.4	Very low	38.2	Very low	83 Å²	83	141.5 Å²	141.5	51%	0.509	70%	0.699	S	S	.	*			trans	-46	125.9	162.9	39.6	0	0	0	0	110.7	S94 K98	S94-T96 PolarHBondContact O-N 2.72Å; S94-T96 PolarHBondContact O-OG1 2.97Å; T96-K98 PolarHBondContact O-N 3.09Å
97	L	34.6	Very low	36.9	Very low	143 Å²	143	143.6 Å²	143.6	75%	0.749	72%	0.723	S	S	*	*	S	Bend		62.8	-4.2	96.1	-69.4	162	0	0	0	116.5	I100	L97-I100 HydrophobicContact CD2-CD1 4.2Å
98	K	34.9	Very low	36.2	Very low	185 Å²	185	141.9 Å²	141.9	80%	0.804	72%	0.721	S	S	*	*	S	Bend	trans	-98.3	-6.2	-179.7	-86.9	-173.1	174	-177.7	0	116.3	T96	T96-K98 PolarHBondContact O-N 3.09Å
99	K	38.8	Very low	36.1	Very low	179 Å²	179	139.3 Å²	139.3	78%	0.778	71%	0.707	S	S	*	*	S	Bend	trans	-105.8	11.6	177.9	-79.7	-171.4	175.2	-178.1	0	114.4
100	I	35.5	Very low	36.6	Very low	96 Å²	96	139.5 Å²	139.5	49%	0.492	71%	0.708	S	S	.	*	S	Bend	trans	-91.2	-20.9	-174.9	-67	173	0	0	0	112	L97	L97-I100 HydrophobicContact CD2-CD1 4.2Å
101	D	34.9	Very low	37	Very low	110 Å²	110	140.7 Å²	140.7	59%	0.588	71%	0.713	S	S	*	*	S	Bend	trans	-88.4	-22	-179.7	-72.4	-38.1	0	0	0	114.2	F103 R104	D101-F103 VanDerWaalsContact C-N 3.32Å; D101-F103 PolarHBondContact O-N 2.89Å; D101-R104 IonicContact OD1-CZ 3.95Å; D101-R104 IonicContact OD1-NH1 2.9Å; D101-R104 PolarHBondContact OD1-NH1 3.15Å
102	D	40.6	Very low	37.6	Very low	130 Å²	130	140.3 Å²	140.3	70%	0.695	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.7	-6.8	-178.8	-67.2	-24.6	0	0	0	114.7
103	F	36.7	Very low	38	Very low	175 Å²	175	138.1 Å²	138.1	77%	0.768	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.7	-0	-177.8	-103	-89.3	0	0	0	114.1	D101	D101-F103 VanDerWaalsContact C-N 3.32Å; D101-F103 PolarHBondContact O-N 2.89Å
104	R	36	Very low	38.7	Very low	191 Å²	191	138.5 Å²	138.5	72%	0.721	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.5	0.2	-175.3	-75.8	176.3	165.6	161.3	-9.2	114.7	D101	D101-R104 IonicContact OD1-CZ 3.95Å; D101-R104 IonicContact OD1-NH1 2.9Å; D101-R104 PolarHBondContact OD1-NH1 3.15Å
105	S	42.2	Very low	39.3	Very low	106 Å²	106	136.2 Å²	136.2	74%	0.741	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.3	1.5	-176.1	57.5	0	0	0	0	115.2
106	D	38.5	Very low	39.4	Very low	102 Å²	102	128.4 Å²	128.4	55%	0.545	64%	0.638	S	S	.	*			trans	-94	106.1	-174.2	-131.8	5.5	0	0	0	111.4	K108	D106-K108 PolarHBondContact O-N 3.41Å
107	S	42.8	Very low	39.6	Very low	127 Å²	127	130.1 Å²	130.1	89%	0.888	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	21.6	-170.7	60.2	0	0	0	0	115.7
108	K	43	Very low	39.7	Very low	180 Å²	180	130.6 Å²	130.6	78%	0.783	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106	3.4	-170.4	-128.8	175.8	-173.9	173.7	0	115.1	D106	D106-K108 PolarHBondContact O-N 3.41Å
109	Y	43.4	Very low	39.8	Very low	160 Å²	160	126.9 Å²	126.9	63%	0.627	63%	0.631	S	S	*	*	S	Bend	trans	-126.3	124.6	-175.6	-59.5	-77.1	0	0	0	111.5	M113	Y109-M113 HydrophobicContact CD1-CE 4.15Å; Y109-M113 HydrophobicContact CD1-SD 3.99Å
110	S	42.7	Very low	39.7	Very low	87 Å²	87	129.4 Å²	129.4	61%	0.608	64%	0.637	S	S	*	*			trans	-75.4	149.2	-177.1	178.4	0	0	0	0	112.4	D112	S110-D112 PolarHBondContact O-N 2.93Å
111	K	41.7	Very low	39.9	Very low	213 Å²	213	135.5 Å²	135.5	93%	0.926	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	1.9	-176.8	-92.9	178.7	173.6	177.2	0	116.3
112	D	44.4	Very low	40.2	Very low	146 Å²	146	131.7 Å²	131.7	78%	0.781	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.2	17.9	-176.3	-65.5	-33.2	0	0	0	114.9	S110 K114	S110-D112 PolarHBondContact O-N 2.93Å; D112-K114 PolarHBondContact O-N 3Å; D112-K114 VanDerWaalsContact O-N 3.1Å
113	M	39.4	Very low	40.5	Very low	65 Å²	65	133.3 Å²	133.3	32%	0.32	64%	0.642	S	S	.	*			trans	-81	97.7	-166.2	-150.9	164	76.8	0	0	112.8	Y109 E117	Y109-M113 HydrophobicContact CD1-CE 4.15Å; Y109-M113 HydrophobicContact CD1-SD 3.99Å; M113-E117 HydrophobicContact CB-CG 3.77Å; M113-E117 WeakPolarHBondContact CB-OE1 3.41Å; M113-E117 HydrophobicContact CE-CG 3.27Å; M113-E117 WeakPolarHBondContact CE-OE1 3.28Å; M113-E117 HydrophobicContact CG-CG 3.97Å; M113-E117 VanDerWaalsContact O-CD 3.29Å; M113-E117 WeakPolarHBondContact O-CG 3.39Å; M113-E117 HydrophobicContact SD-CG 4.44Å
114	K	44.5	Very low	41.2	Very low	136 Å²	136	126.4 Å²	126.4	59%	0.591	61%	0.611	S	S	*	*			trans	-123.1	156.3	172.3	-78.3	-177	178.7	175	0	113.9	D112	D112-K114 PolarHBondContact O-N 3Å; D112-K114 VanDerWaalsContact O-N 3.1Å
115	L	42.5	Very low	41.7	Very low	31 Å²	31	121.8 Å²	121.8	16%	0.162	60%	0.6	C	S	.	*	S	Bend	trans	77.4	-38.1	-151.4	-166.5	63	0	0	0	116.9	E287 L291 V589	L115-E287 VanDerWaalsContact CB-CD 3.47Å; L115-E287 HydrophobicContact CB-CG 3.94Å; L115-E287 WeakPolarHBondContact CB-OE1 3.41Å; L115-E287 HydrophobicContact CD1-CB 3.3Å; L115-E287 HydrophobicContact CD1-CG 3.31Å; L115-E287 HydrophobicContact CD2-CG 4.3Å; L115-E287 HydrophobicContact CG-CB 4.44Å; L115-E287 HydrophobicContact CG-CG 3.96Å; L115-E287 PolarHBondContact N-OE1 3.02Å; L115-L291 HydrophobicContact CD1-CD1 4.21Å; L115-V589 HydrophobicContact CB-CG2 4.25Å; L115-V589 HydrophobicContact CD2-CG2 3.28Å; L115-V589 HydrophobicContact CG-CG2 4.22Å
116	T	38.7	Very low	41.9	Very low	51 Å²	51	121.1 Å²	121.1	31%	0.313	58%	0.581	S	S	.	*	S	Bend	trans	-112.4	-0.2	-167.9	41.3	0	0	0	0	118.7	L118 Y586 R587	T116-L118 PolarHBondContact O-N 3.31Å; T116-Y586 WeakPolarHBondContact CG2-O 3.4Å; T116-R587 HydrophobicContact CG2-CG 3.71Å
117	E	36.3	Very low	42.5	Very low	119 Å²	119	119.8 Å²	119.8	56%	0.556	57%	0.571	S	S	*	*	S	Bend	trans	-74.6	-16.5	-169.7	-95.7	-170.8	160.3	0	0	116.3	M113	M113-E117 HydrophobicContact CB-CG 3.77Å; M113-E117 WeakPolarHBondContact CB-OE1 3.41Å; M113-E117 HydrophobicContact CE-CG 3.27Å; M113-E117 WeakPolarHBondContact CE-OE1 3.28Å; M113-E117 HydrophobicContact CG-CG 3.97Å; M113-E117 VanDerWaalsContact O-CD 3.29Å; M113-E117 WeakPolarHBondContact O-CG 3.39Å; M113-E117 HydrophobicContact SD-CG 4.44Å
118	L	36.2	Very low	43.1	Very low	153 Å²	153	118 Å²	118	80%	0.801	55%	0.552	S	S	*	*	S	Bend	trans	-136.5	-3.9	-161.4	-106.9	156.7	0	0	0	119.1	T116 Y120	T116-L118 PolarHBondContact O-N 3.31Å; L118-Y120 VanDerWaalsContact C-N 3.28Å; L118-Y120 PolarHBondContact O-N 3.07Å; L118-Y120 VanDerWaalsContact O-N 3.15Å
119	L	36.9	Very low	43.5	Very low	108 Å²	108	113.2 Å²	113.2	57%	0.565	53%	0.531	S	S	*	.			trans	-95	56.1	177.7	-64.4	-179.2	0	0	0	113.1	R121 G122 L291 W296	L119-R121 PolarHBondContact O-N 3.37Å; L119-G122 PolarHBondContact O-N 3.05Å; L119-G122 VanDerWaalsContact O-N 3.09Å; L119-L291 HydrophobicContact CD1-CD1 4.11Å; L119-W296 HydrophobicContact CD1-CZ2 4.07Å
120	Y	36.8	Very low	43.8	Very low	232 Å²	232	108.8 Å²	108.8	91%	0.91	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	14.2	154.3	-159.2	-95.7	0	0	0	112.8	L118	L118-Y120 VanDerWaalsContact C-N 3.28Å; L118-Y120 PolarHBondContact O-N 3.07Å; L118-Y120 VanDerWaalsContact O-N 3.15Å
121	R	40.1	Very low	44.2	Very low	223 Å²	223	110.9 Å²	110.9	84%	0.842	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.7	1.9	172.1	-69.9	-172.6	171.8	-177.1	-1.6	114.6	L119 K123	L119-R121 PolarHBondContact O-N 3.37Å; R121-K123 VanDerWaalsContact C-N 3.26Å; R121-K123 PolarHBondContact O-N 3.4Å; R121-K123 VanDerWaalsContact O-N 3.11Å
122	G	41.8	Very low	44.8	Very low	31 Å²	31	105.9 Å²	105.9	32%	0.32	50%	0.497	S	S	.	.			trans	-81.3	27.7	-175.8	0	0	0	0	0	116.3	L119 R124	L119-G122 PolarHBondContact O-N 3.05Å; L119-G122 VanDerWaalsContact O-N 3.09Å; G122-R124 PolarHBondContact O-N 3.32Å
123	K	46.8	Very low	44.9	Very low	163 Å²	163	102.1 Å²	102.1	71%	0.709	48%	0.476	S	S	*	.	P	Polyproline II helix	trans	-73.2	124.3	174.6	-69.8	-174.7	179.2	-179.7	0	108.5	R121 L125	R121-K123 VanDerWaalsContact C-N 3.26Å; R121-K123 PolarHBondContact O-N 3.4Å; R121-K123 VanDerWaalsContact O-N 3.11Å; K123-L125 PolarHBondContact O-N 3.37Å
124	R	49.5	Very low	45.4	Very low	31 Å²	31	100.7 Å²	100.7	12%	0.117	47%	0.471	C	S	.	.	P	Polyproline II helix	trans	-50.7	124.6	164.2	-85.2	-176.9	-179.6	168.5	2.8	108.7	G122 R126 H294 V295 E300 R582	G122-R124 PolarHBondContact O-N 3.32Å; R124-R126 PolarHBondContact O-N 3.47Å; R124-H294 PolarHBondContact NH2-O 3.43Å; R124-V295 HydrophobicContact CG-CG1 4.1Å; R124-V295 WeakPolarHBondContact CG-O 3.14Å; R124-V295 PolarHBondContact NE-O 2.87Å; R124-E300 WeakPolarHBondContact CD-OE1 3.3Å; R124-E300 IonicContact NE-OE1 3.42Å; R124-R582 HydrophobicContact CB-CB 4.33Å; R124-R582 HydrophobicContact CB-CG 3.9Å; R124-R582 WeakPolarHBondContact O-CD 3.41Å; R124-R582 PolarHBondContact O-NH1 3.37Å
125	L	46.9	Very low	45.7	Very low	94 Å²	94	98.1 Å²	98.1	49%	0.492	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-58.5	138.1	173.5	-76.8	167.9	0	0	0	108.8	K123 H127 L130 L133	K123-L125 PolarHBondContact O-N 3.37Å; L125-H127 PolarHBondContact O-N 3.35Å; L125-L130 HydrophobicContact CB-CD1 4.41Å; L125-L130 HydrophobicContact CB-CG 4.02Å; L125-L133 HydrophobicContact CD1-CD1 4.16Å; L125-L133 HydrophobicContact CD2-CD1 3.29Å; L125-L133 HydrophobicContact CG-CD1 4.25Å
126	R	47.3	Very low	46	Very low	92 Å²	92	99.9 Å²	99.9	35%	0.347	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-58.3	126.4	175.3	-117.3	-173.1	156	163.5	-5.6	108.6	D61 R124 D128 K129 L130 R582	D61-R126 PolarHBondContact O-NH1 2.93Å; R124-R126 PolarHBondContact O-N 3.47Å; R126-D128 WeakPolarHBondContact CB-OD1 3.49Å; R126-D128 VanDerWaalsContact CD-OD1 3.3Å; R126-D128 WeakPolarHBondContact CD-OD1 3.36Å; R126-D128 VanDerWaalsContact CD-OD2 3.24Å; R126-D128 WeakPolarHBondContact CD-OD2 3.47Å; R126-D128 WeakPolarHBondContact CG-OD1 3.36Å; R126-D128 IonicContact NE-OD1 3.12Å; R126-D128 IonicContact NE-OD2 3.44Å; R126-D128 PolarHBondContact O-N 3.44Å; R126-K129 HydrophobicContact CB-CB 3.65Å; R126-K129 HydrophobicContact CB-CG 3.45Å; R126-K129 VanDerWaalsContact CB-CG 3.45Å; R126-K129 HydrophobicContact CG-CG 4.37Å; R126-K129 CarbonylContact O-C 3.6Å; R126-K129 VanDerWaalsContact O-C 3.23Å; R126-K129 VanDerWaalsContact O-CA 3.24Å; R126-K129 WeakPolarHBondContact O-CA 3.27Å; R126-K129 WeakPolarHBondContact O-CB 3.49Å; R126-K129 PolarHBondContact O-N 2.85Å; R126-L130 PolarHBondContact O-N 3.47Å; R126-R582 VanDerWaalsContact CA-CZ 3.49Å
127	H	51.2	Low	46.2	Very low	74 Å²	74	103.3 Å²	103.3	34%	0.343	48%	0.476	S	S	.	.	H	α-helix	trans	-52.1	-41.9	178.1	-176.1	81.8	0	0	0	111.2	L125 K129 L130 Q131 Y320	L125-H127 PolarHBondContact O-N 3.35Å; H127-K129 VanDerWaalsContact C-N 3.35Å; H127-K129 PolarHBondContact O-N 3.06Å; H127-L130 VanDerWaalsContact O-CB 3.27Å; H127-L130 WeakPolarHBondContact O-CB 3.31Å; H127-L130 PolarHBondContact O-N 2.93Å; H127-L130 VanDerWaalsContact O-N 3.12Å; H127-Q131 PolarHBondContact O-N 3.36Å; H127-Y320 HydrophobicContact CB-CD2 4.48Å; H127-Y320 HydrophobicContact CB-CG 4.49Å
128	D	55.2	Low	46.4	Very low	88 Å²	88	101.8 Å²	101.8	47%	0.471	47%	0.466	S	S	.	.	H	α-helix	trans	-62	-36.4	170.5	56.1	-55.6	0	0	0	113.3	R126 F132	R126-D128 WeakPolarHBondContact CB-OD1 3.49Å; R126-D128 VanDerWaalsContact CD-OD1 3.3Å; R126-D128 WeakPolarHBondContact CD-OD1 3.36Å; R126-D128 VanDerWaalsContact CD-OD2 3.24Å; R126-D128 WeakPolarHBondContact CD-OD2 3.47Å; R126-D128 WeakPolarHBondContact CG-OD1 3.36Å; R126-D128 IonicContact NE-OD1 3.12Å; R126-D128 IonicContact NE-OD2 3.44Å; R126-D128 PolarHBondContact O-N 3.44Å; D128-F132 PolarHBondContact O-N 3.4Å
129	K	50.6	Low	47	Very low	80 Å²	80	101 Å²	101	35%	0.348	46%	0.462	S	S	.	.	H	α-helix	trans	-80.7	-18.7	173	-59.6	-76.6	-176.2	175.4	0	112.6	D61 R126 H127 Q131 F132 L133	D61-K129 IonicContact OD1-NZ 3.54Å; R126-K129 HydrophobicContact CB-CB 3.65Å; R126-K129 HydrophobicContact CB-CG 3.45Å; R126-K129 VanDerWaalsContact CB-CG 3.45Å; R126-K129 HydrophobicContact CG-CG 4.37Å; R126-K129 CarbonylContact O-C 3.6Å; R126-K129 VanDerWaalsContact O-C 3.23Å; R126-K129 VanDerWaalsContact O-CA 3.24Å; R126-K129 WeakPolarHBondContact O-CA 3.27Å; R126-K129 WeakPolarHBondContact O-CB 3.49Å; R126-K129 PolarHBondContact O-N 2.85Å; H127-K129 VanDerWaalsContact C-N 3.35Å; H127-K129 PolarHBondContact O-N 3.06Å; K129-Q131 VanDerWaalsContact C-N 3.34Å; K129-F132 CarbonylContact O-C 3.58Å; K129-F132 PolarHBondContact O-N 2.96Å; K129-L133 HydrophobicContact CB-CD1 4.46Å; K129-L133 WeakPolarHBondContact O-CA 3.36Å; K129-L133 WeakPolarHBondContact O-CB 3.46Å; K129-L133 WeakPolarHBondContact O-CG 3.24Å; K129-L133 PolarHBondContact O-N 2.94Å
130	L	50.4	Low	47.4	Very low	68 Å²	68	101.9 Å²	101.9	36%	0.356	46%	0.463	S	S	.	.	H	α-helix	trans	-66.4	-44.1	178.5	-110.5	161.1	0	0	0	108.2	L125 R126 H127 L133 T134	L125-L130 HydrophobicContact CB-CD1 4.41Å; L125-L130 HydrophobicContact CB-CG 4.02Å; R126-L130 PolarHBondContact O-N 3.47Å; H127-L130 VanDerWaalsContact O-CB 3.27Å; H127-L130 WeakPolarHBondContact O-CB 3.31Å; H127-L130 PolarHBondContact O-N 2.93Å; H127-L130 VanDerWaalsContact O-N 3.12Å; L130-L133 PolarHBondContact O-N 3.19Å; L130-T134 WeakPolarHBondContact O-CB 3.02Å; L130-T134 PolarHBondContact O-N 3.49Å; L130-T134 PolarHBondContact O-OG1 2.83Å
131	Q	51.6	Low	47.8	Very low	131 Å²	131	97.5 Å²	97.5	61%	0.612	45%	0.449	S	S	*	.	H	α-helix	trans	-66.5	-42.7	172.7	-167	144.9	8.7	0	0	111.9	H127 K129 T134 N135	H127-Q131 PolarHBondContact O-N 3.36Å; K129-Q131 VanDerWaalsContact C-N 3.34Å; Q131-T134 PolarHBondContact O-N 3.21Å; Q131-N135 VanDerWaalsContact O-CB 3.26Å; Q131-N135 WeakPolarHBondContact O-CB 3.24Å; Q131-N135 PolarHBondContact O-N 2.93Å; Q131-N135 PolarHBondContact O-ND2 3.21Å; Q131-N135 PolarHBondContact O-OD1 3.13Å
132	F	53.5	Low	47.7	Very low	108 Å²	108	88.9 Å²	88.9	47%	0.474	43%	0.43	S	S	.	.	H	α-helix	trans	-61.5	-43.6	173.7	172.5	-97.1	0	0	0	113.1	D128 K129 N135 R136	D128-F132 PolarHBondContact O-N 3.4Å; K129-F132 CarbonylContact O-C 3.58Å; K129-F132 PolarHBondContact O-N 2.96Å; F132-N135 CarbonylContact O-C 3.58Å; F132-N135 PolarHBondContact O-N 3.1Å; F132-R136 HydrophobicContact CE1-CB 4.45Å; F132-R136 WeakPolarHBondContact O-CA 3.3Å; F132-R136 WeakPolarHBondContact O-CB 3.13Å; F132-R136 PolarHBondContact O-N 3Å
133	L	47.8	Very low	47.4	Very low	67 Å²	67	91 Å²	91	35%	0.351	44%	0.439	S	S	.	.	H	α-helix	trans	-73.8	-34	-179.4	-73.6	170.3	0	0	0	111.4	L125 K129 L130 Y137	L125-L133 HydrophobicContact CD1-CD1 4.16Å; L125-L133 HydrophobicContact CD2-CD1 3.29Å; L125-L133 HydrophobicContact CG-CD1 4.25Å; K129-L133 HydrophobicContact CB-CD1 4.46Å; K129-L133 WeakPolarHBondContact O-CA 3.36Å; K129-L133 WeakPolarHBondContact O-CB 3.46Å; K129-L133 WeakPolarHBondContact O-CG 3.24Å; K129-L133 PolarHBondContact O-N 2.94Å; L130-L133 PolarHBondContact O-N 3.19Å; L133-Y137 WeakPolarHBondContact O-CB 3.49Å; L133-Y137 PolarHBondContact O-N 3.23Å
134	T	49	Very low	47	Very low	34 Å²	34	90.5 Å²	90.5	21%	0.209	44%	0.439	C	S	.	.	H	α-helix	trans	-59.5	-63.8	166.1	-58.2	0	0	0	0	107.1	L130 Q131 R136 Y137 W138	L130-T134 WeakPolarHBondContact O-CB 3.02Å; L130-T134 PolarHBondContact O-N 3.49Å; L130-T134 PolarHBondContact O-OG1 2.83Å; Q131-T134 PolarHBondContact O-N 3.21Å; T134-R136 PolarHBondContact O-N 3.43Å; T134-Y137 PolarHBondContact O-N 3.45Å; T134-W138 VanDerWaalsContact C-CD1 3.44Å; T134-W138 HydrophobicContact CG2-CG 4.37Å; T134-W138 WeakPolarHBondContact O-CB 3.44Å; T134-W138 VanDerWaalsContact O-CG 3.31Å; T134-W138 PolarHBondContact O-N 3.45Å
135	N	50.3	Low	46.3	Very low	83 Å²	83	95.6 Å²	95.6	44%	0.444	47%	0.468	S	S	.	.	H	α-helix	trans	-52	-39	178.9	-67.1	-8.3	0	0	0	113.2	Q131 F132 W138 N139	Q131-N135 VanDerWaalsContact O-CB 3.26Å; Q131-N135 WeakPolarHBondContact O-CB 3.24Å; Q131-N135 PolarHBondContact O-N 2.93Å; Q131-N135 PolarHBondContact O-ND2 3.21Å; Q131-N135 PolarHBondContact O-OD1 3.13Å; F132-N135 CarbonylContact O-C 3.58Å; F132-N135 PolarHBondContact O-N 3.1Å; N135-W138 CarbonylContact O-C 3.05Å; N135-W138 PolarHBondContact O-N 3.24Å; N135-N139 VanDerWaalsContact O-CB 3.24Å; N135-N139 WeakPolarHBondContact O-CB 3.25Å; N135-N139 PolarHBondContact O-N 2.91Å; N135-N139 PolarHBondContact O-ND2 3.35Å; N135-N139 PolarHBondContact O-OD1 3.31Å
136	R	49.4	Very low	45.5	Very low	68 Å²	68	99.8 Å²	99.8	26%	0.257	48%	0.482	S	S	.	.	H	α-helix	trans	-71.8	-44.7	178.2	-177.4	-178.6	170.9	149.8	8.7	112.6	F91 F132 T134 W138 N139 Q140	F91-R136 PolarHBondContact O-NH2 3.12Å; F132-R136 HydrophobicContact CE1-CB 4.45Å; F132-R136 WeakPolarHBondContact O-CA 3.3Å; F132-R136 WeakPolarHBondContact O-CB 3.13Å; F132-R136 PolarHBondContact O-N 3Å; T134-R136 PolarHBondContact O-N 3.43Å; R136-W138 PolarHBondContact O-N 2.86Å; R136-N139 PolarHBondContact O-N 3.16Å; R136-Q140 WeakPolarHBondContact O-CB 3.23Å; R136-Q140 VanDerWaalsContact O-CG 3.29Å; R136-Q140 WeakPolarHBondContact O-CG 3.28Å; R136-Q140 PolarHBondContact O-N 2.64Å
137	Y	42.8	Very low	44.7	Very low	123 Å²	123	101.6 Å²	101.6	48%	0.482	50%	0.503	S	S	.	.	H	α-helix	trans	-59.5	-40.2	172.7	178.9	-93.7	0	0	0	110.1	L133 T134 Q140 K141	L133-Y137 WeakPolarHBondContact O-CB 3.49Å; L133-Y137 PolarHBondContact O-N 3.23Å; T134-Y137 PolarHBondContact O-N 3.45Å; Y137-Q140 PolarHBondContact O-N 3.12Å; Y137-K141 HydrophobicContact CD2-CG 4.49Å; Y137-K141 HydrophobicContact CE1-CD 4.04Å; Y137-K141 HydrophobicContact CE1-CG 4.43Å; Y137-K141 HydrophobicContact CE2-CD 3.79Å; Y137-K141 VanDerWaalsContact CE2-CE 3.48Å; Y137-K141 HydrophobicContact CE2-CG 4.19Å; Y137-K141 VanDerWaalsContact CZ-CD 3.49Å; Y137-K141 WeakPolarHBondContact O-CB 3.43Å; Y137-K141 PolarHBondContact O-N 2.8Å; Y137-K141 WeakPolarHBondContact OH-CD 3.43Å; Y137-K141 WeakPolarHBondContact OH-CE 3.3Å; Y137-K141 PolarHBondContact OH-NZ 3.25Å
138	W	41.4	Very low	43.6	Very low	87 Å²	87	102.8 Å²	102.8	33%	0.33	52%	0.52	S	S	.	.	H	α-helix	trans	-69.8	-37.6	177.1	-71.5	55.3	0	0	0	112.2	T134 N135 R136 G142 S143 R151	T134-W138 VanDerWaalsContact C-CD1 3.44Å; T134-W138 HydrophobicContact CG2-CG 4.37Å; T134-W138 WeakPolarHBondContact O-CB 3.44Å; T134-W138 VanDerWaalsContact O-CG 3.31Å; T134-W138 PolarHBondContact O-N 3.45Å; N135-W138 CarbonylContact O-C 3.05Å; N135-W138 PolarHBondContact O-N 3.24Å; R136-W138 PolarHBondContact O-N 2.86Å; W138-G142 CarbonylContact O-C 3.56Å; W138-G142 VanDerWaalsContact O-C 3.24Å; W138-G142 WeakPolarHBondContact O-CA 3.24Å; W138-G142 PolarHBondContact O-N 3.29Å; W138-S143 PolarHBondContact O-N 3.4Å; W138-R151 HydrophobicContact CH2-CG 3.88Å; W138-R151 HydrophobicContact CZ2-CG 4.06Å; W138-R151 VanDerWaalsContact CZ2-CZ 3.49Å; W138-R151 VanDerWaalsContact CZ2-NE 3.3Å
139	N	47.6	Very low	42.6	Very low	136 Å²	136	108 Å²	108	73%	0.727	53%	0.533	S	S	*	.	H	α-helix	trans	-70	-31.1	173.1	-71.4	-14.7	0	0	0	112.3	N135 R136	N135-N139 VanDerWaalsContact O-CB 3.24Å; N135-N139 WeakPolarHBondContact O-CB 3.25Å; N135-N139 PolarHBondContact O-N 2.91Å; N135-N139 PolarHBondContact O-ND2 3.35Å; N135-N139 PolarHBondContact O-OD1 3.31Å; R136-N139 PolarHBondContact O-N 3.16Å
140	Q	45.9	Very low	41.9	Very low	126 Å²	126	109.7 Å²	109.7	59%	0.589	55%	0.545	S	S	*	.	H	α-helix	trans	-85	-36.2	179.8	-75.6	-177.9	-18.2	0	0	113.3	R136 Y137	R136-Q140 WeakPolarHBondContact O-CB 3.23Å; R136-Q140 VanDerWaalsContact O-CG 3.29Å; R136-Q140 WeakPolarHBondContact O-CG 3.28Å; R136-Q140 PolarHBondContact O-N 2.64Å; Y137-Q140 PolarHBondContact O-N 3.12Å
141	K	44.3	Very low	41.4	Very low	141 Å²	141	114.6 Å²	114.6	61%	0.613	56%	0.559	S	S	*	*	H	α-helix	trans	-93.7	-1.6	179	-70.3	-146.4	178.9	176.7	0	114.1	Y137	Y137-K141 HydrophobicContact CD2-CG 4.49Å; Y137-K141 HydrophobicContact CE1-CD 4.04Å; Y137-K141 HydrophobicContact CE1-CG 4.43Å; Y137-K141 HydrophobicContact CE2-CD 3.79Å; Y137-K141 VanDerWaalsContact CE2-CE 3.48Å; Y137-K141 HydrophobicContact CE2-CG 4.19Å; Y137-K141 VanDerWaalsContact CZ-CD 3.49Å; Y137-K141 WeakPolarHBondContact O-CB 3.43Å; Y137-K141 PolarHBondContact O-N 2.8Å; Y137-K141 WeakPolarHBondContact OH-CD 3.43Å; Y137-K141 WeakPolarHBondContact OH-CE 3.3Å; Y137-K141 PolarHBondContact OH-NZ 3.25Å
142	G	37.6	Very low	40.9	Very low	42 Å²	42	113.6 Å²	113.6	43%	0.433	55%	0.553	S	S	.	*			trans	78.6	126.3	-176.4	0	0	0	0	0	111.4	W138	W138-G142 CarbonylContact O-C 3.56Å; W138-G142 VanDerWaalsContact O-C 3.24Å; W138-G142 WeakPolarHBondContact O-CA 3.24Å; W138-G142 PolarHBondContact O-N 3.29Å
143	S	36.3	Very low	40.6	Very low	74 Å²	74	112.4 Å²	112.4	52%	0.517	56%	0.556	S	S	.	*			trans	-86.3	107	164.6	-179.6	0	0	0	0	107.3	W138 L145	W138-S143 PolarHBondContact O-N 3.4Å; S143-L145 VanDerWaalsContact C-N 3.32Å; S143-L145 PolarHBondContact O-N 2.92Å
144	H	38.4	Very low	40.4	Very low	153 Å²	153	115.1 Å²	115.1	71%	0.708	57%	0.567	S	S	*	*			trans	-72.3	96.3	167.8	-71.9	-89	0	0	0	108.1
145	L	35.3	Very low	40.8	Very low	139 Å²	139	121.7 Å²	121.7	73%	0.728	60%	0.595	S	S	*	*			trans	-14.1	136.3	172.6	-83.2	142.9	0	0	0	119.7	S143	S143-L145 VanDerWaalsContact C-N 3.32Å; S143-L145 PolarHBondContact O-N 2.92Å
146	K	30.1	Very low	40.9	Very low	182 Å²	182	119.5 Å²	119.5	79%	0.791	58%	0.584	S	S	*	*			trans	87.6	106.3	134.5	-88.4	176.7	179	-179.2	0	120.5
147	V	30.2	Very low	41.1	Very low	129 Å²	129	118.6 Å²	118.6	78%	0.782	59%	0.592	S	S	*	*			trans	89.9	109.4	143.8	-168.3	0	0	0	0	117.7
148	S	28.6	Very low	42	Very low	99 Å²	99	119.1 Å²	119.1	69%	0.692	60%	0.603	S	S	*	*	S	Bend	trans	59.8	92.7	158.9	62.9	0	0	0	0	120.9
149	R	33.9	Very low	42.9	Very low	197 Å²	197	117.1 Å²	117.1	74%	0.743	60%	0.602	S	S	*	*	S	Bend	trans	91.6	7.7	132	-65.8	-169.9	-178.7	-163.1	1	123.5
150	L	34.5	Very low	43.5	Very low	116 Å²	116	116.7 Å²	116.7	61%	0.607	61%	0.61	S	S	*	*			trans	-156	153.1	162.7	-102.9	130.9	0	0	0	115	F152 E168	L150-F152 HydrophobicContact CB-CD1 4.33Å; L150-F152 HydrophobicContact CB-CE1 3.99Å; L150-E168 HydrophobicContact CD1-CG 3.65Å
151	R	41.6	Very low	44.4	Very low	171 Å²	171	118 Å²	118	65%	0.645	62%	0.621	S	S	*	*			trans	-103.3	117.5	-173.5	-56.5	177.2	-179.7	-173.4	4.1	110.2	W138	W138-R151 HydrophobicContact CH2-CG 3.88Å; W138-R151 HydrophobicContact CZ2-CG 4.06Å; W138-R151 VanDerWaalsContact CZ2-CZ 3.49Å; W138-R151 VanDerWaalsContact CZ2-NE 3.3Å
152	F	41.4	Very low	45	Very low	110 Å²	110	112.1 Å²	112.1	48%	0.482	60%	0.598	S	S	.	*			trans	-148.9	153.4	170.9	35.4	-95.1	0	0	0	111.9	L150 A157	L150-F152 HydrophobicContact CB-CD1 4.33Å; L150-F152 HydrophobicContact CB-CE1 3.99Å; F152-A157 HydrophobicContact CD2-CB 4.12Å; F152-A157 HydrophobicContact CE2-CB 4.01Å
153	P	46.6	Very low	45.9	Very low	83 Å²	83	115.2 Å²	115.2	54%	0.539	61%	0.61	S	S	.	*			trans	-61.9	147.7	178.4	-19.2	30.8	0	0	0	113.1	E155 V156 A157	P153-E155 PolarHBondContact O-N 3.37Å; P153-V156 HydrophobicContact CB-CG2 4.16Å; P153-V156 HydrophobicContact CG-CG2 4.17Å; P153-V156 WeakPolarHBondContact O-CA 3.24Å; P153-V156 WeakPolarHBondContact O-CB 3.27Å; P153-V156 PolarHBondContact O-N 3.38Å; P153-A157 PolarHBondContact O-N 2.96Å
154	E	43.5	Very low	46.5	Very low	125 Å²	125	116.9 Å²	116.9	58%	0.584	61%	0.612	S	S	*	*	H	α-helix	trans	-60.6	-32.5	-177	-146.2	170.8	-156.5	0	0	112.9	V156 A157 N158	E154-V156 PolarHBondContact O-N 3.17Å; E154-A157 PolarHBondContact O-N 3.1Å; E154-N158 PolarHBondContact O-N 2.9Å; E154-N158 VanDerWaalsContact O-N 3.12Å; E154-N158 PolarHBondContact O-ND2 2.96Å
155	E	56.7	Low	47.1	Very low	171 Å²	171	114.6 Å²	114.6	80%	0.799	61%	0.605	S	S	*	*	H	α-helix	trans	-61.9	-30.8	173.6	-64	167.8	-174.7	0	0	112.5	P153	P153-E155 PolarHBondContact O-N 3.37Å
156	V	53	Low	48	Very low	37 Å²	37	117.1 Å²	117.1	22%	0.224	61%	0.61	C	S	.	*	H	α-helix	trans	-81.2	-35.4	178.6	-177.7	0	0	0	0	110.7	P153 E154 S159 L164	P153-V156 HydrophobicContact CB-CG2 4.16Å; P153-V156 HydrophobicContact CG-CG2 4.17Å; P153-V156 WeakPolarHBondContact O-CA 3.24Å; P153-V156 WeakPolarHBondContact O-CB 3.27Å; P153-V156 PolarHBondContact O-N 3.38Å; E154-V156 PolarHBondContact O-N 3.17Å; V156-S159 PolarHBondContact O-OG 3.19Å; V156-L164 HydrophobicContact CG1-CD1 3.67Å
157	A	54.3	Low	49	Very low	50 Å²	50	110.2 Å²	110.2	41%	0.413	59%	0.587	S	S	.	*	H	α-helix	trans	-69.4	-32.8	178.3	0	0	0	0	0	113.3	F152 P153 E154 S159	F152-A157 HydrophobicContact CD2-CB 4.12Å; F152-A157 HydrophobicContact CE2-CB 4.01Å; P153-A157 PolarHBondContact O-N 2.96Å; E154-A157 PolarHBondContact O-N 3.1Å; A157-S159 VanDerWaalsContact C-N 3.32Å
158	N	59.9	Low	49.5	Very low	134 Å²	134	108.2 Å²	108.2	72%	0.717	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.4	-4	-179.4	-70	-26.3	0	0	0	114	E154	E154-N158 PolarHBondContact O-N 2.9Å; E154-N158 VanDerWaalsContact O-N 3.12Å; E154-N158 PolarHBondContact O-ND2 2.96Å
159	S	61.7	Low	50.2	Low	45 Å²	45	110.9 Å²	110.9	32%	0.315	58%	0.575	S	S	.	*			trans	-89.3	108.2	175.5	70.7	0	0	0	0	110.1	V156 A157 N161 S162	V156-S159 PolarHBondContact O-OG 3.19Å; A157-S159 VanDerWaalsContact C-N 3.32Å; S159-N161 PolarHBondContact O-N 3.4Å; S159-S162 PolarHBondContact O-N 3.49Å; S159-S162 WeakPolarHBondContact OG-CB 3.49Å
160	S	60.7	Low	50.6	Low	127 Å²	127	109.1 Å²	109.1	89%	0.888	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.5	-0.8	178.8	61.9	0	0	0	0	114.2
161	N	64.4	Low	50.8	Low	154 Å²	154	112.4 Å²	112.4	82%	0.824	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129	17.3	-172.8	-132.8	6.6	0	0	0	113.3	S159	S159-N161 PolarHBondContact O-N 3.4Å
162	S	56.5	Low	50.8	Low	17 Å²	17	111.8 Å²	111.8	12%	0.119	59%	0.589	C	S	.	*			trans	-72.2	125.4	-179.8	164.1	0	0	0	0	112.2	S159 L164 I165	S159-S162 PolarHBondContact O-N 3.49Å; S159-S162 WeakPolarHBondContact OG-CB 3.49Å; S162-L164 PolarHBondContact O-N 3.36Å; S162-L164 VanDerWaalsContact O-N 3.11Å; S162-L164 WeakPolarHBondContact OG-CB 3.39Å; S162-L164 PolarHBondContact OG-N 2.92Å; S162-I165 PolarHBondContact O-N 3.14Å
163	P	55.9	Low	50.9	Low	107 Å²	107	110.1 Å²	110.1	70%	0.695	59%	0.591	S	S	*	*	G	3₁₀ helix	trans	-64.1	-12.8	175.7	25.5	-33	0	0	0	113.7	K166	P163-K166 PolarHBondContact O-N 2.63Å
164	L	49.6	Very low	51	Low	108 Å²	108	110.7 Å²	110.7	57%	0.565	59%	0.593	S	S	*	*	G	3₁₀ helix	trans	-72.7	-26.8	-178.9	-73.2	157.2	0	0	0	113.2	V156 S162 K166 A167	V156-L164 HydrophobicContact CG1-CD1 3.67Å; S162-L164 PolarHBondContact O-N 3.36Å; S162-L164 VanDerWaalsContact O-N 3.11Å; S162-L164 WeakPolarHBondContact OG-CB 3.39Å; S162-L164 PolarHBondContact OG-N 2.92Å; L164-K166 PolarHBondContact O-N 3.22Å; L164-A167 PolarHBondContact O-N 2.7Å
165	I	50.3	Low	51.1	Low	106 Å²	106	114.6 Å²	114.6	54%	0.544	60%	0.603	S	S	.	*	G	3₁₀ helix	trans	-64.6	-24.8	175.6	-62.4	173.4	0	0	0	111	S162	S162-I165 PolarHBondContact O-N 3.14Å
166	K	53.9	Low	50.6	Low	191 Å²	191	114.7 Å²	114.7	83%	0.83	60%	0.597	S	S	*	*	G	3₁₀ helix	trans	-84.2	-16.5	175.3	-69.6	-177.9	178.6	177.4	0	113.8	P163 L164	P163-K166 PolarHBondContact O-N 2.63Å; L164-K166 PolarHBondContact O-N 3.22Å
167	A	52.9	Low	50.6	Low	38 Å²	38	116 Å²	116	31%	0.314	60%	0.603	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.8	-11.6	-178	0	0	0	0	0	113.5	L164 N169 M170	L164-A167 PolarHBondContact O-N 2.7Å; A167-N169 PolarHBondContact O-N 3.4Å; A167-N169 VanDerWaalsContact O-N 3.12Å; A167-M170 PolarHBondContact O-N 3.25Å
168	E	39.5	Very low	50.6	Low	87 Å²	87	118.5 Å²	118.5	41%	0.407	61%	0.609	S	S	.	*	T	Hydrogen-bonded Turn	trans	-65.5	-18.1	-167.8	-135.5	171.8	-165.6	0	0	114.9	L150	L150-E168 HydrophobicContact CD1-CG 3.65Å
169	N	43.7	Very low	50.1	Low	155 Å²	155	114.5 Å²	114.5	83%	0.829	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.5	-4.2	179.8	-76.8	-27.4	0	0	0	115	A167	A167-N169 PolarHBondContact O-N 3.4Å; A167-N169 VanDerWaalsContact O-N 3.12Å
170	M	41.6	Very low	49.4	Very low	160 Å²	160	117 Å²	117	79%	0.788	60%	0.604	S	S	*	*	S	Bend	trans	-94.3	-10.3	-172.2	-69	-170.6	77.3	0	0	115.4	A167	A167-M170 PolarHBondContact O-N 3.25Å
171	F	40.2	Very low	49.1	Very low	185 Å²	185	114.1 Å²	114.1	81%	0.811	58%	0.584	S	S	*	*			trans	-118	21	-170	-67.7	-74.8	0	0	0	115.7	S173	F171-S173 PolarHBondContact O-N 3.3Å
172	K	41.5	Very low	48.4	Very low	158 Å²	158	111.6 Å²	111.6	69%	0.687	57%	0.57	S	S	*	*			trans	-69.7	102.3	169.6	-94.7	-174.9	174.9	-178.2	0	110.4	T174	K172-T174 PolarHBondContact O-N 3.09Å
173	S	41.9	Very low	48	Very low	74 Å²	74	117 Å²	117	52%	0.517	59%	0.594	S	S	.	*			trans	-71.7	111.6	163.4	175.9	0	0	0	0	109.3	F171 R175	F171-S173 PolarHBondContact O-N 3.3Å; S173-R175 PolarHBondContact O-N 3.42Å
174	T	49.5	Very low	47.6	Very low	96 Å²	96	116.3 Å²	116.3	59%	0.589	59%	0.587	S	S	*	*	H	α-helix	trans	-68.1	-19.5	177.9	49.4	0	0	0	0	113.4	K172 Y176 D177 D178	K172-T174 PolarHBondContact O-N 3.09Å; T174-Y176 VanDerWaalsContact C-N 3.3Å; T174-Y176 PolarHBondContact O-N 3.39Å; T174-D177 PolarHBondContact O-N 3.49Å; T174-D178 PolarHBondContact O-N 3.47Å; T174-D178 VanDerWaalsContact O-N 3.13Å
175	R	45.8	Very low	47.7	Very low	207 Å²	207	116.1 Å²	116.1	78%	0.781	58%	0.584	S	S	*	*	H	α-helix	trans	-65.2	-29.3	-176.7	-80.4	-175.5	174.7	172.2	-1.2	114.3	S173 A179	S173-R175 PolarHBondContact O-N 3.42Å; R175-A179 WeakPolarHBondContact O-CB 3.3Å; R175-A179 PolarHBondContact O-N 2.84Å
176	Y	45	Very low	47.7	Very low	173 Å²	173	118 Å²	118	68%	0.678	59%	0.594	S	S	*	*	H	α-helix	trans	-79.4	-34	176.5	-99.5	-84.2	0	0	0	112	T174 D178 L180	T174-Y176 VanDerWaalsContact C-N 3.3Å; T174-Y176 PolarHBondContact O-N 3.39Å; Y176-D178 VanDerWaalsContact C-N 3.35Å; Y176-L180 WeakPolarHBondContact O-CB 3.49Å; Y176-L180 PolarHBondContact O-N 2.81Å
177	D	53	Low	47.7	Very low	64 Å²	64	112.4 Å²	112.4	34%	0.342	59%	0.589	S	S	.	*	H	α-helix	trans	-69.3	-34.5	176.5	-76.6	-23	0	0	0	110.9	T174 S181	T174-D177 PolarHBondContact O-N 3.49Å; D177-S181 WeakPolarHBondContact O-CB 3.27Å; D177-S181 PolarHBondContact O-N 3.01Å; D177-S181 PolarHBondContact O-OG 3.01Å
178	D	54.6	Low	48.2	Very low	102 Å²	102	112.9 Å²	112.9	55%	0.545	59%	0.586	S	S	.	*	H	α-helix	trans	-72.3	-43.4	176.2	-68.9	-21.4	0	0	0	112.5	T174 Y176 S181 N182	T174-D178 PolarHBondContact O-N 3.47Å; T174-D178 VanDerWaalsContact O-N 3.13Å; Y176-D178 VanDerWaalsContact C-N 3.35Å; D178-S181 PolarHBondContact O-N 3.29Å; D178-N182 PolarHBondContact O-N 3.42Å; D178-N182 PolarHBondContact O-OD1 2.99Å
179	A	51	Low	49.6	Very low	51 Å²	51	112.4 Å²	112.4	42%	0.421	59%	0.589	S	S	.	*	H	α-helix	trans	-69.3	-37.4	176.7	0	0	0	0	0	112.2	R175 N182 E183	R175-A179 WeakPolarHBondContact O-CB 3.3Å; R175-A179 PolarHBondContact O-N 2.84Å; A179-N182 PolarHBondContact O-N 2.98Å; A179-E183 WeakPolarHBondContact O-CB 3.27Å; A179-E183 WeakPolarHBondContact O-CG 3.23Å; A179-E183 PolarHBondContact O-N 3.28Å
180	L	46.6	Very low	50.8	Low	96 Å²	96	109.1 Å²	109.1	50%	0.503	58%	0.584	S	S	.	*	H	α-helix	trans	-71.5	-32.6	173.9	-161.5	84.3	0	0	0	111.1	Y176 E183 V184	Y176-L180 WeakPolarHBondContact O-CB 3.49Å; Y176-L180 PolarHBondContact O-N 2.81Å; L180-E183 CarbonylContact O-C 3.53Å; L180-E183 PolarHBondContact O-N 3.42Å; L180-V184 WeakPolarHBondContact O-CB 3.38Å; L180-V184 WeakPolarHBondContact O-CG2 3.41Å; L180-V184 PolarHBondContact O-N 3.21Å
181	S	52.8	Low	52.6	Low	67 Å²	67	107.7 Å²	107.7	47%	0.469	58%	0.579	S	S	.	*	H	α-helix	trans	-65.5	-43.3	171.2	-65.1	0	0	0	0	111.1	D177 D178 E183 V184 E185	D177-S181 WeakPolarHBondContact O-CB 3.27Å; D177-S181 PolarHBondContact O-N 3.01Å; D177-S181 PolarHBondContact O-OG 3.01Å; D178-S181 PolarHBondContact O-N 3.29Å; S181-E183 VanDerWaalsContact C-N 3.32Å; S181-E183 PolarHBondContact O-N 3.11Å; S181-V184 PolarHBondContact O-N 3.39Å; S181-E185 PolarHBondContact O-N 3.28Å; S181-E185 VanDerWaalsContact O-N 3.09Å
182	N	51.6	Low	54.3	Low	101 Å²	101	103.9 Å²	103.9	54%	0.54	56%	0.564	S	S	.	*	H	α-helix	trans	-67.4	-27.8	172.9	-70.3	-1.3	0	0	0	112.9	D178 A179 E185	D178-N182 PolarHBondContact O-N 3.42Å; D178-N182 PolarHBondContact O-OD1 2.99Å; A179-N182 PolarHBondContact O-N 2.98Å; N182-E185 WeakPolarHBondContact O-CB 3.26Å
183	E	46.3	Very low	55.6	Low	130 Å²	130	98 Å²	98	61%	0.607	55%	0.545	S	S	*	.	H	α-helix	trans	-80.1	-26.4	171.7	-78.7	-173.5	171	0	0	112.5	A179 L180 S181 E185 I186	A179-E183 WeakPolarHBondContact O-CB 3.27Å; A179-E183 WeakPolarHBondContact O-CG 3.23Å; A179-E183 PolarHBondContact O-N 3.28Å; L180-E183 CarbonylContact O-C 3.53Å; L180-E183 PolarHBondContact O-N 3.42Å; S181-E183 VanDerWaalsContact C-N 3.32Å; S181-E183 PolarHBondContact O-N 3.11Å; E183-E185 PolarHBondContact O-N 3.41Å; E183-I186 VanDerWaalsContact O-CB 3.25Å; E183-I186 WeakPolarHBondContact O-CB 3.46Å; E183-I186 WeakPolarHBondContact O-CG1 3.33Å; E183-I186 PolarHBondContact O-N 3.22Å
184	V	49.3	Very low	57.4	Low	93 Å²	93	101.3 Å²	101.3	56%	0.564	55%	0.55	S	S	*	.	H	α-helix	trans	-71.6	-21.2	170.1	169.2	0	0	0	0	111.2	L180 S181 I186 G187	L180-V184 WeakPolarHBondContact O-CB 3.38Å; L180-V184 WeakPolarHBondContact O-CG2 3.41Å; L180-V184 PolarHBondContact O-N 3.21Å; S181-V184 PolarHBondContact O-N 3.39Å; V184-I186 PolarHBondContact O-N 3.09Å; V184-I186 VanDerWaalsContact O-N 3.07Å; V184-G187 PolarHBondContact O-N 3.28Å
185	E	50.9	Low	59	Low	104 Å²	104	101.8 Å²	101.8	49%	0.486	55%	0.545	S	S	.	.	G	3₁₀ helix	trans	-59.3	-13.8	166.7	-66.8	177.4	157.3	0	0	113	S181 N182 E183 G187 I188	S181-E185 PolarHBondContact O-N 3.28Å; S181-E185 VanDerWaalsContact O-N 3.09Å; N182-E185 WeakPolarHBondContact O-CB 3.26Å; E183-E185 PolarHBondContact O-N 3.41Å; E185-G187 VanDerWaalsContact C-N 3.25Å; E185-G187 PolarHBondContact O-N 3.44Å; E185-I188 HydrophobicContact CG-CD1 4.24Å; E185-I188 PolarHBondContact O-N 2.93Å
186	I	50.1	Low	60.6	Low	147 Å²	147	96 Å²	96	75%	0.754	53%	0.53	S	S	*	.	G	3₁₀ helix	trans	-73.9	-17.1	172.2	-57.9	172.8	0	0	0	111.9	E183 V184	E183-I186 VanDerWaalsContact O-CB 3.25Å; E183-I186 WeakPolarHBondContact O-CB 3.46Å; E183-I186 WeakPolarHBondContact O-CG1 3.33Å; E183-I186 PolarHBondContact O-N 3.22Å; V184-I186 PolarHBondContact O-N 3.09Å; V184-I186 VanDerWaalsContact O-N 3.07Å
187	G	53.9	Low	62.2	Low	72 Å²	72	94.8 Å²	94.8	74%	0.742	53%	0.53	S	S	*	.	G	3₁₀ helix	trans	-91.3	-2.3	172.6	0	0	0	0	0	114.4	V184 E185	V184-G187 PolarHBondContact O-N 3.28Å; E185-G187 VanDerWaalsContact C-N 3.25Å; E185-G187 PolarHBondContact O-N 3.44Å
188	I	62.6	Low	63.8	Low	48 Å²	48	96.7 Å²	96.7	25%	0.246	54%	0.537	C	S	.	.	S	Bend	trans	-97.8	133.7	-176.1	-60.2	-176.8	0	0	0	108.2	E185 E192 A193 L196	E185-I188 HydrophobicContact CG-CD1 4.24Å; E185-I188 PolarHBondContact O-N 2.93Å; I188-E192 HydrophobicContact CG2-CB 3.25Å; I188-E192 HydrophobicContact CG2-CG 4.43Å; I188-A193 HydrophobicContact CG2-CB 4.11Å; I188-L196 HydrophobicContact CD1-CD1 3.96Å
189	T	70.1	Confident	65.3	Low	77 Å²	77	96.1 Å²	96.1	47%	0.472	53%	0.531	S	S	.	.			trans	-64.5	151.4	174	57.5	0	0	0	0	110.3	D191 E192 A193	T189-D191 PolarHBondContact O-N 3.4Å; T189-E192 PolarHBondContact N-OE2 3.48Å; T189-E192 PolarHBondContact O-N 3.43Å; T189-E192 WeakPolarHBondContact OG1-CB 3.4Å; T189-E192 WeakPolarHBondContact OG1-CG 3.35Å; T189-E192 PolarHBondContact OG1-N 2.96Å; T189-E192 PolarHBondContact OG1-OE2 3.42Å; T189-A193 PolarHBondContact O-N 3.43Å
190	A	69.1	Low	66.7	Low	86 Å²	86	100.3 Å²	100.3	71%	0.711	54%	0.54	S	S	*	.	H	α-helix	trans	-54.2	-31.6	178.6	0	0	0	0	0	112.7	K194	A190-K194 WeakPolarHBondContact O-CB 3.3Å; A190-K194 PolarHBondContact O-N 3.17Å
191	D	78	Confident	68.5	Low	130 Å²	130	98.5 Å²	98.5	70%	0.695	54%	0.535	S	S	*	.	H	α-helix	trans	-69.3	-43.1	175.9	-67.1	-34.3	0	0	0	112.7	T189 K194 H195	T189-D191 PolarHBondContact O-N 3.4Å; D191-K194 PolarHBondContact O-N 2.97Å; D191-H195 WeakPolarHBondContact O-CB 3.07Å; D191-H195 PolarHBondContact O-N 3.12Å
192	E	75.8	Confident	70	Confident	105 Å²	105	100 Å²	100	49%	0.491	53%	0.534	S	S	.	.	H	α-helix	trans	-67.8	-38.6	176.4	-74.1	166.2	154.7	0	0	111.9	I188 T189 H195 L196	I188-E192 HydrophobicContact CG2-CB 3.25Å; I188-E192 HydrophobicContact CG2-CG 4.43Å; T189-E192 PolarHBondContact N-OE2 3.48Å; T189-E192 PolarHBondContact O-N 3.43Å; T189-E192 WeakPolarHBondContact OG1-CB 3.4Å; T189-E192 WeakPolarHBondContact OG1-CG 3.35Å; T189-E192 PolarHBondContact OG1-N 2.96Å; T189-E192 PolarHBondContact OG1-OE2 3.42Å; E192-H195 PolarHBondContact O-N 3.05Å; E192-L196 PolarHBondContact O-N 3.38Å
193	A	70.4	Confident	71.4	Confident	35 Å²	35	105.2 Å²	105.2	29%	0.289	55%	0.547	S	S	.	.	H	α-helix	trans	-62.4	-45.5	175.2	0	0	0	0	0	110.8	I188 T189 H195 L196 E197	I188-A193 HydrophobicContact CG2-CB 4.11Å; T189-A193 PolarHBondContact O-N 3.43Å; A193-H195 VanDerWaalsContact C-N 3.32Å; A193-H195 PolarHBondContact O-N 3.5Å; A193-L196 PolarHBondContact O-N 3.37Å; A193-E197 WeakPolarHBondContact O-CB 3.27Å; A193-E197 PolarHBondContact O-N 3.03Å
194	K	78.3	Confident	73.1	Confident	143 Å²	143	103.5 Å²	103.5	62%	0.622	54%	0.541	S	S	*	.	H	α-helix	trans	-60.5	-40.8	175.1	-172.1	-179.8	-179.1	-177.3	0	112	A190 D191 E197 Q198	A190-K194 WeakPolarHBondContact O-CB 3.3Å; A190-K194 PolarHBondContact O-N 3.17Å; D191-K194 PolarHBondContact O-N 2.97Å; K194-E197 PolarHBondContact O-N 3.28Å; K194-Q198 WeakPolarHBondContact O-CB 3.28Å; K194-Q198 PolarHBondContact O-N 2.82Å
195	H	84.7	Confident	74.3	Confident	106 Å²	106	106.2 Å²	106.2	49%	0.491	55%	0.547	S	S	.	.	H	α-helix	trans	-65.6	-42.5	177.1	-173.3	-81.4	0	0	0	112.3	D191 E192 A193 Q198 Q199	D191-H195 WeakPolarHBondContact O-CB 3.07Å; D191-H195 PolarHBondContact O-N 3.12Å; E192-H195 PolarHBondContact O-N 3.05Å; A193-H195 VanDerWaalsContact C-N 3.32Å; A193-H195 PolarHBondContact O-N 3.5Å; H195-Q198 PolarHBondContact O-N 3.38Å; H195-Q199 PolarHBondContact CE1-NE2 3.01Å; H195-Q199 WeakPolarHBondContact O-CG 2.9Å; H195-Q199 PolarHBondContact O-N 2.96Å
196	L	79.1	Confident	75.3	Confident	87 Å²	87	107 Å²	107	46%	0.455	56%	0.564	S	S	.	*	H	α-helix	trans	-64.5	-42.1	175.1	-78.9	167.4	0	0	0	112.2	I188 E192 A193 Q198 Q199 K200	I188-L196 HydrophobicContact CD1-CD1 3.96Å; E192-L196 PolarHBondContact O-N 3.38Å; A193-L196 PolarHBondContact O-N 3.37Å; L196-Q198 VanDerWaalsContact C-N 3.33Å; L196-Q199 PolarHBondContact O-N 2.87Å; L196-K200 WeakPolarHBondContact O-CB 3.34Å; L196-K200 PolarHBondContact O-N 3.46Å
197	E	79.2	Confident	76.4	Confident	146 Å²	146	106.3 Å²	106.3	68%	0.682	56%	0.555	S	S	*	*	H	α-helix	trans	-63.8	-40.2	176.5	-165.8	170.7	-158.4	0	0	111.2	A193 K194 K200 S201	A193-E197 WeakPolarHBondContact O-CB 3.27Å; A193-E197 PolarHBondContact O-N 3.03Å; K194-E197 PolarHBondContact O-N 3.28Å; E197-K200 PolarHBondContact O-N 2.97Å; E197-S201 WeakPolarHBondContact O-CB 3.44Å; E197-S201 PolarHBondContact O-N 3.07Å
198	Q	86.3	Confident	77.1	Confident	104 Å²	104	109.7 Å²	109.7	49%	0.486	55%	0.551	S	S	.	*	H	α-helix	trans	-62.6	-48.4	173.8	-171.8	176.6	-15.3	0	0	111.7	K194 H195 L196 K200 S201 E202	K194-Q198 WeakPolarHBondContact O-CB 3.28Å; K194-Q198 PolarHBondContact O-N 2.82Å; H195-Q198 PolarHBondContact O-N 3.38Å; L196-Q198 VanDerWaalsContact C-N 3.33Å; Q198-K200 VanDerWaalsContact C-N 3.32Å; Q198-K200 PolarHBondContact O-N 3.29Å; Q198-S201 WeakPolarHBondContact O-CB 3.3Å; Q198-S201 PolarHBondContact O-N 2.95Å; Q198-S201 VanDerWaalsContact O-N 3.12Å; Q198-S201 PolarHBondContact O-OG 3.18Å; Q198-E202 PolarHBondContact NE2-OE1 3.2Å; Q198-E202 WeakPolarHBondContact O-CG 3.28Å; Q198-E202 PolarHBondContact O-N 2.9Å
199	Q	85.3	Confident	77.3	Confident	90 Å²	90	111.5 Å²	111.5	42%	0.421	57%	0.566	S	S	.	*	H	α-helix	trans	-60.4	-40.1	175.4	-74.9	-173.7	-18.8	0	0	112.8	H195 L196 S201 E202 R203	H195-Q199 PolarHBondContact CE1-NE2 3.01Å; H195-Q199 WeakPolarHBondContact O-CG 2.9Å; H195-Q199 PolarHBondContact O-N 2.96Å; L196-Q199 PolarHBondContact O-N 2.87Å; Q199-S201 VanDerWaalsContact C-N 3.33Å; Q199-E202 PolarHBondContact O-N 3.23Å; Q199-R203 WeakPolarHBondContact O-CB 3.44Å; Q199-R203 VanDerWaalsContact O-CG 3.29Å; Q199-R203 WeakPolarHBondContact O-CG 3.46Å; Q199-R203 PolarHBondContact O-N 2.86Å
200	K	80.9	Confident	77.4	Confident	140 Å²	140	111.3 Å²	111.3	61%	0.609	56%	0.562	S	S	*	*	H	α-helix	trans	-62.8	-42.3	174.8	-175.2	179.1	177.3	-178.3	0	110.6	L196 E197 Q198 R203 L204	L196-K200 WeakPolarHBondContact O-CB 3.34Å; L196-K200 PolarHBondContact O-N 3.46Å; E197-K200 PolarHBondContact O-N 2.97Å; Q198-K200 VanDerWaalsContact C-N 3.32Å; Q198-K200 PolarHBondContact O-N 3.29Å; K200-R203 PolarHBondContact O-N 3.48Å; K200-L204 HydrophobicContact CG-CD1 3.97Å; K200-L204 WeakPolarHBondContact O-CB 3.33Å; K200-L204 VanDerWaalsContact O-CG 3.28Å; K200-L204 WeakPolarHBondContact O-CG 3.39Å; K200-L204 PolarHBondContact O-N 2.9Å
201	S	83.3	Confident	77.4	Confident	57 Å²	57	116.1 Å²	116.1	40%	0.399	57%	0.567	S	S	.	*	H	α-helix	trans	-62.9	-45.3	176.4	82.9	0	0	0	0	111.9	E197 Q198 Q199 R203 L204 Q205	E197-S201 WeakPolarHBondContact O-CB 3.44Å; E197-S201 PolarHBondContact O-N 3.07Å; Q198-S201 WeakPolarHBondContact O-CB 3.3Å; Q198-S201 PolarHBondContact O-N 2.95Å; Q198-S201 VanDerWaalsContact O-N 3.12Å; Q198-S201 PolarHBondContact O-OG 3.18Å; Q199-S201 VanDerWaalsContact C-N 3.33Å; S201-R203 PolarHBondContact O-N 3.25Å; S201-L204 CarbonylContact O-C 3.53Å; S201-L204 PolarHBondContact O-N 3.37Å; S201-Q205 WeakPolarHBondContact O-CG 3.14Å; S201-Q205 PolarHBondContact O-N 3.43Å
202	E	85.6	Confident	77.2	Confident	98 Å²	98	113.4 Å²	113.4	46%	0.458	57%	0.57	S	S	.	*	H	α-helix	trans	-62.9	-40.9	178	-72.1	171.6	-173.1	0	0	111.6	Q198 Q199 L204 Q205	Q198-E202 PolarHBondContact NE2-OE1 3.2Å; Q198-E202 WeakPolarHBondContact O-CG 3.28Å; Q198-E202 PolarHBondContact O-N 2.9Å; Q199-E202 PolarHBondContact O-N 3.23Å; E202-L204 VanDerWaalsContact C-N 3.34Å; E202-L204 PolarHBondContact O-N 3.04Å; E202-Q205 PolarHBondContact O-N 2.6Å
203	R	80.6	Confident	77.5	Confident	212 Å²	212	110.3 Å²	110.3	80%	0.8	56%	0.556	S	S	*	*	H	α-helix	trans	-66.8	-34.5	175.1	-71.6	175.9	67.8	-178.4	1.1	112.9	Q199 K200 S201	Q199-R203 WeakPolarHBondContact O-CB 3.44Å; Q199-R203 VanDerWaalsContact O-CG 3.29Å; Q199-R203 WeakPolarHBondContact O-CG 3.46Å; Q199-R203 PolarHBondContact O-N 2.86Å; K200-R203 PolarHBondContact O-N 3.48Å; S201-R203 PolarHBondContact O-N 3.25Å
204	L	81.8	Confident	78	Confident	93 Å²	93	114.4 Å²	114.4	49%	0.487	58%	0.578	S	S	.	*	H	α-helix	trans	-84.3	-13.1	179	-69.2	173	0	0	0	113	K200 S201 E202 C206 F207	K200-L204 HydrophobicContact CG-CD1 3.97Å; K200-L204 WeakPolarHBondContact O-CB 3.33Å; K200-L204 VanDerWaalsContact O-CG 3.28Å; K200-L204 WeakPolarHBondContact O-CG 3.39Å; K200-L204 PolarHBondContact O-N 2.9Å; S201-L204 CarbonylContact O-C 3.53Å; S201-L204 PolarHBondContact O-N 3.37Å; E202-L204 VanDerWaalsContact C-N 3.34Å; E202-L204 PolarHBondContact O-N 3.04Å; L204-C206 PolarHBondContact O-N 2.97Å; L204-F207 HydrophobicContact CD2-CB 4.41Å; L204-F207 WeakPolarHBondContact O-CA 3.15Å; L204-F207 VanDerWaalsContact O-CB 3.3Å; L204-F207 WeakPolarHBondContact O-CB 3.38Å; L204-F207 PolarHBondContact O-N 2.92Å
205	Q	74.2	Confident	78.3	Confident	150 Å²	150	112.3 Å²	112.3	70%	0.701	57%	0.566	S	S	*	*	H	α-helix	trans	-59.9	-32.9	176.2	-84.2	176.1	10.7	0	0	112.8	S201 E202 F207	S201-Q205 WeakPolarHBondContact O-CG 3.14Å; S201-Q205 PolarHBondContact O-N 3.43Å; E202-Q205 PolarHBondContact O-N 2.6Å; Q205-F207 VanDerWaalsContact C-N 3.26Å; Q205-F207 PolarHBondContact O-N 3.34Å
206	C	72.7	Confident	78.4	Confident	122 Å²	122	108.7 Å²	108.7	82%	0.824	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	-13	174.4	-56.5	0	0	0	0	113.2	L204 H208	L204-C206 PolarHBondContact O-N 2.97Å; C206-H208 PolarHBondContact O-N 3.37Å
207	F	71.8	Confident	78.7	Confident	131 Å²	131	105.3 Å²	105.3	58%	0.575	54%	0.535	S	S	*	.			trans	-86.5	99.6	-179.9	-177.2	-104.7	0	0	0	109.5	L204 Q205 P209	L204-F207 HydrophobicContact CD2-CB 4.41Å; L204-F207 WeakPolarHBondContact O-CA 3.15Å; L204-F207 VanDerWaalsContact O-CB 3.3Å; L204-F207 WeakPolarHBondContact O-CB 3.38Å; L204-F207 PolarHBondContact O-N 2.92Å; Q205-F207 VanDerWaalsContact C-N 3.26Å; Q205-F207 PolarHBondContact O-N 3.34Å; F207-P209 HydrophobicContact CD1-CB 4.31Å; F207-P209 HydrophobicContact CE1-CB 3.7Å; F207-P209 HydrophobicContact CZ-CB 4.32Å; F207-P209 WeakPolarHBondContact O-CD 3.36Å
208	H	68.6	Low	78.9	Confident	144 Å²	144	105.3 Å²	105.3	67%	0.667	54%	0.535	S	S	*	.			trans	-84.3	112.1	161.5	-97.4	-22.4	0	0	0	109.1	C206 L210 F211	C206-H208 PolarHBondContact O-N 3.37Å; H208-L210 PolarHBondContact O-N 3.42Å; H208-F211 HydrophobicContact CB-CB 3.74Å; H208-F211 PolarHBondContact O-N 3.25Å
209	P	68.6	Low	78.7	Confident	85 Å²	85	108.2 Å²	108.2	55%	0.552	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.1	-19.7	-167.7	22.1	-33	0	0	0	114.6	F207	F207-P209 HydrophobicContact CD1-CB 4.31Å; F207-P209 HydrophobicContact CE1-CB 3.7Å; F207-P209 HydrophobicContact CZ-CB 4.32Å; F207-P209 WeakPolarHBondContact O-CD 3.36Å
210	L	71.5	Confident	78.8	Confident	74 Å²	74	107 Å²	107	39%	0.387	55%	0.554	S	S	.	*	T	Hydrogen-bonded Turn	trans	-119.2	-1.5	-172.8	-60.6	176.6	0	0	0	113.3	H208 G212 D213 Y441	H208-L210 PolarHBondContact O-N 3.42Å; L210-G212 PolarHBondContact O-N 3.38Å; L210-D213 PolarHBondContact O-N 3.26Å; L210-D213 VanDerWaalsContact O-N 3.15Å; L210-Y441 HydrophobicContact CD2-CD2 3.78Å; L210-Y441 HydrophobicContact CD2-CE2 3.7Å
211	F	68.3	Low	79.1	Confident	186 Å²	186	107.4 Å²	107.4	82%	0.816	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.7	111.5	-174.7	-172.7	-95.4	0	0	0	110.4	H208	H208-F211 HydrophobicContact CB-CB 3.74Å; H208-F211 PolarHBondContact O-N 3.25Å
212	G	74.3	Confident	79.6	Confident	73 Å²	73	107.7 Å²	107.7	75%	0.753	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	80.6	7.8	-177.8	0	0	0	0	0	115.1	L210 V214	L210-G212 PolarHBondContact O-N 3.38Å; G212-V214 PolarHBondContact O-N 3.03Å
213	D	81.3	Confident	80.1	Confident	40 Å²	40	103 Å²	103	21%	0.214	54%	0.537	C	S	.	.			trans	-75.9	118	172.4	-164.2	-27.2	0	0	0	109.8	L210 R215 S216 Y441	L210-D213 PolarHBondContact O-N 3.26Å; L210-D213 VanDerWaalsContact O-N 3.15Å; D213-R215 PolarHBondContact O-N 3.06Å; D213-R215 WeakPolarHBondContact OD1-CB 3.25Å; D213-R215 IonicContact OD1-CZ 3.7Å; D213-R215 PolarHBondContact OD1-N 3.35Å; D213-R215 IonicContact OD1-NE 2.78Å; D213-R215 PolarHBondContact OD1-NE 3.37Å; D213-R215 IonicContact OD1-NH2 3.61Å; D213-R215 IonicContact OD2-CZ 3.34Å; D213-R215 IonicContact OD2-NE 2.85Å; D213-R215 PolarHBondContact OD2-NE 2.72Å; D213-R215 IonicContact OD2-NH2 3.92Å; D213-R215 PolarHBondContact OD2-NH2 3.26Å; D213-S216 PolarHBondContact O-N 3.27Å; D213-Y441 PolarHBondContact OD2-OH 3.41Å
214	V	82.2	Confident	80.8	Confident	122 Å²	122	94.3 Å²	94.3	74%	0.739	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-20.2	-179.1	-176.9	0	0	0	0	112.1	G212 S216 H217	G212-V214 PolarHBondContact O-N 3.03Å; V214-S216 VanDerWaalsContact C-N 3.33Å; V214-H217 PolarHBondContact O-CE1 3.47Å; V214-H217 PolarHBondContact O-NE2 2.91Å
215	R	84	Confident	81.5	Confident	98 Å²	98	91.8 Å²	91.8	37%	0.37	49%	0.492	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-9.8	178	-64.2	168.5	-68.7	176.3	3.9	113.9	D213 H217 Y441 Y442 R443	D213-R215 PolarHBondContact O-N 3.06Å; D213-R215 WeakPolarHBondContact OD1-CB 3.25Å; D213-R215 IonicContact OD1-CZ 3.7Å; D213-R215 PolarHBondContact OD1-N 3.35Å; D213-R215 IonicContact OD1-NE 2.78Å; D213-R215 PolarHBondContact OD1-NE 3.37Å; D213-R215 IonicContact OD1-NH2 3.61Å; D213-R215 IonicContact OD2-CZ 3.34Å; D213-R215 IonicContact OD2-NE 2.85Å; D213-R215 PolarHBondContact OD2-NE 2.72Å; D213-R215 IonicContact OD2-NH2 3.92Å; D213-R215 PolarHBondContact OD2-NH2 3.26Å; R215-H217 PolarHBondContact O-CD2 3.31Å; R215-H217 VanDerWaalsContact O-CD2 3.29Å; R215-Y441 HydrophobicContact CB-CD2 4.01Å; R215-Y441 HydrophobicContact CB-CE1 4.44Å; R215-Y441 HydrophobicContact CB-CE2 3.75Å; R215-Y441 HydrophobicContact CB-CG 4.49Å; R215-Y441 PolarHBondContact NE-OH 3.07Å; R215-Y441 PolarHBondContact NH1-OH 2.96Å; R215-Y441 PolarHBondContact NH2-OH 3.43Å; R215-Y441 CarbonylContact O-C 3.53Å; R215-Y441 VanDerWaalsContact O-CA 3.24Å; R215-Y441 WeakPolarHBondContact O-CA 3.45Å; R215-Y442 CarbonylContact C-O 3.45Å; R215-Y442 WeakPolarHBondContact CA-O 3.39Å; R215-Y442 WeakPolarHBondContact CB-O 3.42Å; R215-Y442 PolarHBondContact O-N 2.82Å; R215-R443 HydrophobicContact CG-CB 4.45Å
216	S	86.8	Confident	82.5	Confident	30 Å²	30	84.9 Å²	84.9	21%	0.21	46%	0.46	C	S	.	.	B	Isolated β-bridge	trans	-91.5	115.6	-179.9	-169.3	0	0	0	0	110.5	D213 V214	D213-S216 PolarHBondContact O-N 3.27Å; V214-S216 VanDerWaalsContact C-N 3.33Å
217	H	86.6	Confident	83.4	Confident	17 Å²	17	80.7 Å²	80.7	8%	0.079	43%	0.432	C	S	.	.			trans	-115.6	78.3	-178.3	-59.5	-77.2	0	0	0	110.5	V214 R215 D219 C220 L440 Y442 E444	V214-H217 PolarHBondContact O-CE1 3.47Å; V214-H217 PolarHBondContact O-NE2 2.91Å; R215-H217 PolarHBondContact O-CD2 3.31Å; R215-H217 VanDerWaalsContact O-CD2 3.29Å; H217-D219 VanDerWaalsContact C-N 3.33Å; H217-D219 PolarHBondContact O-N 2.98Å; H217-C220 HydrophobicContact CB-CB 3.94Å; H217-L440 PolarHBondContact N-O 3.1Å; H217-L440 WeakPolarHBondContact O-CD2 3.04Å; H217-Y442 HydrophobicContact CB-CE1 4.3Å; H217-Y442 AromaticContact CD2-CD2 3.73Å; H217-Y442 AromaticContact CD2-CE1 3.96Å; H217-Y442 AromaticContact CD2-CE2 3.48Å; H217-Y442 VanDerWaalsContact CD2-CE2 3.48Å; H217-Y442 WeakPolarHBondContact CD2-CE2 3.23Å; H217-Y442 AromaticContact CD2-CZ 3.63Å; H217-Y442 PolarHBondContact CD2-O 2.67Å; H217-Y442 AromaticContact CG-CZ 3.92Å; H217-Y442 AromaticContact NE2-CD2 3.94Å; H217-Y442 AromaticContact NE2-CE2 3.8Å; H217-Y442 PolarHBondContact NE2-O 3.24Å; H217-E444 VanDerWaalsContact CE1-CG 3.41Å; H217-E444 WeakPolarHBondContact CE1-CG 3.45Å; H217-E444 IonicContact CE1-OE1 3.21Å; H217-E444 PolarHBondContact CE1-OE1 2.87Å; H217-E444 IonicContact ND1-OE1 2.74Å; H217-E444 PolarHBondContact ND1-OE1 3.33Å
218	Q	81.6	Confident	84.2	Confident	146 Å²	146	75.6 Å²	75.6	68%	0.682	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-29.5	-177.2	-65.6	-174	-4.4	0	0	113.4
219	D	83.2	Confident	84.9	Confident	165 Å²	165	75.8 Å²	75.8	88%	0.882	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	7.7	-174.4	-58.6	-43.6	0	0	0	113.7	H217	H217-D219 VanDerWaalsContact C-N 3.33Å; H217-D219 PolarHBondContact O-N 2.98Å
220	C	86.4	Confident	85.6	Confident	63 Å²	63	77.6 Å²	77.6	43%	0.426	41%	0.408	S	S	.	.	S	Bend	trans	-110.6	164.5	-178.5	-55.8	0	0	0	0	111.9	H217 L440	H217-C220 HydrophobicContact CB-CB 3.94Å; C220-L440 WeakPolarHBondContact O-CD2 3.24Å
221	E	88.6	Confident	86.4	Confident	150 Å²	150	79.5 Å²	79.5	70%	0.701	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-62.6	141.3	169.4	-68.4	-166.5	164.5	0	0	111	Y442	E221-Y442 PolarHBondContact O-OH 2.7Å
222	P	93.2	Very high	87.5	Confident	62 Å²	62	71.1 Å²	71.1	40%	0.403	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-67.1	140.7	179	27.8	-34	0	0	0	111.1	S438 T439 L440	P222-S438 VanDerWaalsContact CB-OG 3.29Å; P222-S438 WeakPolarHBondContact CB-OG 3.49Å; P222-T439 WeakPolarHBondContact CA-O 3.34Å; P222-L440 HydrophobicContact CB-CD2 3.85Å; P222-L440 HydrophobicContact CB-CG 4.36Å
223	S	95.1	Very high	88.4	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	142.7	168.9	-171.6	0	0	0	0	109.7	R386 S388 T439 Y442	S223-R386 PolarHBondContact OG-O 3.28Å; S223-R386 VanDerWaalsContact OG-O 3.12Å; S223-S388 WeakPolarHBondContact OG-CB 3.38Å; S223-S388 PolarHBondContact OG-OG 3.14Å; S223-T439 PolarHBondContact N-O 2.95Å; S223-T439 PolarHBondContact O-N 3.49Å; S223-Y442 VanDerWaalsContact CB-CD1 3.43Å
224	L	96.7	Very high	89	Confident	30 Å²	30	72.4 Å²	72.4	16%	0.157	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	125	165.8	-62	177.3	0	0	0	108.6	R386 I387 S388 L433 L436 T437	L224-R386 PolarHBondContact N-O 3.44Å; L224-I387 HydrophobicContact CB-CG1 4.33Å; L224-I387 CarbonylContact O-C 3.47Å; L224-I387 VanDerWaalsContact O-CA 3.24Å; L224-I387 WeakPolarHBondContact O-CA 3.17Å; L224-S388 PolarHBondContact O-N 3.32Å; L224-L433 HydrophobicContact CD1-CB 4Å; L224-L433 HydrophobicContact CD1-CD1 3.89Å; L224-L433 HydrophobicContact CD1-CD2 3.9Å; L224-L433 HydrophobicContact CD1-CG 4.16Å; L224-L436 HydrophobicContact CB-CB 3.99Å; L224-L436 HydrophobicContact CB-CD1 4.03Å; L224-L436 HydrophobicContact CD1-CD1 4.2Å; L224-T437 CarbonylContact C-O 3.5Å; L224-T437 WeakPolarHBondContact CA-O 3.44Å
225	I	95.7	Very high	89.5	Confident	40 Å²	40	68 Å²	68	21%	0.205	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	128.2	179.4	-163.6	167.8	0	0	0	110.5	S388 T437 T439	I225-S388 WeakPolarHBondContact CA-O 3.16Å; I225-T437 HydrophobicContact CG2-CG2 4.32Å; I225-T437 WeakPolarHBondContact CG2-O 3.47Å; I225-T437 PolarHBondContact N-O 2.9Å; I225-T437 PolarHBondContact O-N 3.44Å; I225-T439 HydrophobicContact CB-CG2 4.03Å; I225-T439 HydrophobicContact CG2-CG2 3.96Å
226	F	95.6	Very high	90	Very high	4 Å²	4	64.8 Å²	64.8	2%	0.018	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	141	167.3	172.5	-99.4	0	0	0	109.7	F232 S388 F389 E391 L436 I493 M496	F226-F232 AromaticContact CD2-CE1 3.85Å; F226-F232 HydrophobicContact CD2-CE1 3.85Å; F226-F232 HydrophobicContact CD2-CE2 4.43Å; F226-F232 AromaticContact CD2-CZ 3.49Å; F226-F232 HydrophobicContact CD2-CZ 3.49Å; F226-F232 VanDerWaalsContact CD2-CZ 3.49Å; F226-F232 AromaticContact CE2-CE1 3.89Å; F226-F232 HydrophobicContact CE2-CE1 3.89Å; F226-F232 HydrophobicContact CE2-CE2 4.04Å; F226-F232 AromaticContact CE2-CZ 3.47Å; F226-F232 HydrophobicContact CE2-CZ 3.47Å; F226-F232 VanDerWaalsContact CE2-CZ 3.47Å; F226-S388 PolarHBondContact N-O 2.86Å; F226-F389 HydrophobicContact CB-CD1 3.83Å; F226-F389 HydrophobicContact CB-CE1 3.76Å; F226-F389 AromaticContact CD1-CD1 3.62Å; F226-F389 HydrophobicContact CD1-CD1 3.62Å; F226-F389 AromaticContact CD1-CE1 3.71Å; F226-F389 HydrophobicContact CD1-CE1 3.71Å; F226-F389 HydrophobicContact CG-CD1 4.03Å; F226-F389 AromaticContact CG-CE1 3.82Å; F226-F389 HydrophobicContact CG-CE1 3.82Å; F226-E391 HydrophobicContact CD1-CG 4.35Å; F226-L436 HydrophobicContact CB-CD2 4.06Å; F226-L436 HydrophobicContact CD2-CD2 4.27Å; F226-I493 HydrophobicContact CZ-CG1 4.46Å; F226-I493 HydrophobicContact CZ-CG2 4.27Å; F226-M496 HydrophobicContact CD1-CB 4.32Å; F226-M496 HydrophobicContact CD2-CB 4.31Å; F226-M496 HydrophobicContact CD2-CE 3.99Å; F226-M496 HydrophobicContact CD2-CG 4.17Å; F226-M496 HydrophobicContact CE1-CB 3.84Å; F226-M496 HydrophobicContact CE2-CB 3.85Å; F226-M496 HydrophobicContact CE2-CG 3.73Å; F226-M496 HydrophobicContact CG-CE 4.25Å; F226-M496 HydrophobicContact CZ-CB 3.58Å; F226-M496 HydrophobicContact CZ-CG 3.97Å
227	S	91	Very high	90.3	Very high	35 Å²	35	64.6 Å²	64.6	25%	0.245	33%	0.326	C	S	.	.			trans	-135.3	126.8	171.7	-178.3	0	0	0	0	110.1	K229 R230 E391	S227-K229 PolarHBondContact O-N 3.3Å; S227-K229 VanDerWaalsContact O-N 3.09Å; S227-K229 PolarHBondContact OG-N 3.22Å; S227-R230 PolarHBondContact O-N 3.48Å; S227-E391 VanDerWaalsContact CA-OE1 3.22Å; S227-E391 WeakPolarHBondContact CA-OE1 3.28Å
228	S	88.3	Confident	90.7	Very high	24 Å²	24	63.8 Å²	63.8	17%	0.168	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-18.6	171.7	53.1	0	0	0	0	114.1	R230 E391	S228-R230 VanDerWaalsContact C-N 3.34Å; S228-E391 VanDerWaalsContact CB-OE2 3.27Å; S228-E391 WeakPolarHBondContact CB-OE2 3.41Å; S228-E391 PolarHBondContact N-OE1 3.28Å; S228-E391 PolarHBondContact OG-OE2 2.94Å
229	K	83.7	Confident	91.4	Very high	147 Å²	147	56.8 Å²	56.8	64%	0.639	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-8	176.4	-60.8	-170.6	175.9	-166.2	0	114.1	S227	S227-K229 PolarHBondContact O-N 3.3Å; S227-K229 VanDerWaalsContact O-N 3.09Å; S227-K229 PolarHBondContact OG-N 3.22Å
230	R	83.9	Confident	92	Very high	124 Å²	124	49.2 Å²	49.2	47%	0.468	25%	0.25	S	S	.	.	S	Bend	trans	-104.9	141.1	177.7	-72	-172.2	176.7	-127.7	1.6	111.1	S227 S228 D435 T437 W474	S227-R230 PolarHBondContact O-N 3.48Å; S228-R230 VanDerWaalsContact C-N 3.34Å; R230-D435 VanDerWaalsContact CD-O 3.32Å; R230-D435 WeakPolarHBondContact CD-O 3.33Å; R230-T437 PolarHBondContact NE-OG1 2.67Å; R230-T437 PolarHBondContact NH2-OG1 3.36Å; R230-W474 WeakPolarHBondContact O-CH2 3.44Å
231	R	87.7	Confident	92.3	Very high	113 Å²	113	46.6 Å²	46.6	43%	0.426	23%	0.232	S	C	.	.			trans	-82.3	131.7	174.4	-179	-179.1	175.8	171.7	6.6	109.7	D435 W474 H489	R231-D435 WeakPolarHBondContact O-CB 3.46Å; R231-W474 HydrophobicContact CB-CD2 4.28Å; R231-W474 HydrophobicContact CB-CH2 4.06Å; R231-W474 HydrophobicContact CB-CZ2 3.76Å; R231-W474 HydrophobicContact CB-CZ3 4.46Å; R231-W474 HydrophobicContact CG-CZ2 4.02Å; R231-H489 VanDerWaalsContact CZ-CE1 3.47Å; R231-H489 VanDerWaalsContact CZ-NE2 3.32Å; R231-H489 PolarHBondContact NE-CE1 3.42Å; R231-H489 VanDerWaalsContact NE-CE1 3.28Å; R231-H489 PolarHBondContact NE-NE2 3.35Å; R231-H489 PolarHBondContact NH2-NE2 2.92Å
232	F	93	Very high	92.7	Very high	11 Å²	11	39.4 Å²	39.4	5%	0.048	20%	0.198	C	C	.	.			trans	-76.9	140.4	166.4	-80.9	-7.6	0	0	0	110.6	F226 K234 Q238 A239 L242 D435 L436 A492 M496	F226-F232 AromaticContact CD2-CE1 3.85Å; F226-F232 HydrophobicContact CD2-CE1 3.85Å; F226-F232 HydrophobicContact CD2-CE2 4.43Å; F226-F232 AromaticContact CD2-CZ 3.49Å; F226-F232 HydrophobicContact CD2-CZ 3.49Å; F226-F232 VanDerWaalsContact CD2-CZ 3.49Å; F226-F232 AromaticContact CE2-CE1 3.89Å; F226-F232 HydrophobicContact CE2-CE1 3.89Å; F226-F232 HydrophobicContact CE2-CE2 4.04Å; F226-F232 AromaticContact CE2-CZ 3.47Å; F226-F232 HydrophobicContact CE2-CZ 3.47Å; F226-F232 VanDerWaalsContact CE2-CZ 3.47Å; F232-K234 PolarHBondContact O-N 3.32Å; F232-Q238 HydrophobicContact CB-CB 4.35Å; F232-Q238 VanDerWaalsContact CB-OE1 3.28Å; F232-Q238 HydrophobicContact CD2-CB 3.91Å; F232-Q238 HydrophobicContact CD2-CG 4.1Å; F232-Q238 HydrophobicContact CE2-CB 4.48Å; F232-Q238 HydrophobicContact CE2-CG 4.41Å; F232-Q238 HydrophobicContact CG-CB 4.29Å; F232-Q238 HydrophobicContact CG-CG 4.26Å; F232-A239 HydrophobicContact CE2-CB 4.28Å; F232-L242 HydrophobicContact CE2-CD1 4.1Å; F232-L242 HydrophobicContact CZ-CD1 3.78Å; F232-D435 HydrophobicContact CD1-CB 4.14Å; F232-L436 HydrophobicContact CE1-CD2 4.05Å; F232-L436 HydrophobicContact CZ-CD2 4.32Å; F232-A492 HydrophobicContact CD2-CB 4.17Å; F232-M496 HydrophobicContact CE2-CG 3.81Å; F232-M496 HydrophobicContact CE2-SD 4.17Å; F232-M496 HydrophobicContact CZ-CE 4.23Å; F232-M496 HydrophobicContact CZ-CG 4.16Å; F232-M496 HydrophobicContact CZ-SD 4.4Å
233	S	92.3	Very high	92.8	Very high	56 Å²	56	36.5 Å²	36.5	39%	0.392	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-23.6	179.3	-65.1	0	0	0	0	112.8	D435	S233-D435 VanDerWaalsContact CB-OD2 3.31Å; S233-D435 WeakPolarHBondContact CB-OD2 3.27Å; S233-D435 PolarHBondContact N-OD2 3.39Å; S233-D435 PolarHBondContact OG-OD1 2.86Å; S233-D435 PolarHBondContact OG-OD2 3.36Å
234	K	93.3	Very high	92.8	Very high	83 Å²	83	36.8 Å²	36.8	36%	0.361	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-130.3	18.1	-177.4	-67.3	-69.5	-175.2	168.3	0	113	F232 V236 A237 Q238 S426 F427 M430	F232-K234 PolarHBondContact O-N 3.32Å; K234-V236 PolarHBondContact O-N 3.17Å; K234-A237 WeakPolarHBondContact O-CB 3.34Å; K234-A237 PolarHBondContact O-N 3.34Å; K234-Q238 HydrophobicContact CB-CB 4.09Å; K234-Q238 PolarHBondContact O-N 3.47Å; K234-S426 VanDerWaalsContact CE-O 3.31Å; K234-S426 WeakPolarHBondContact CE-O 3.06Å; K234-S426 PolarHBondContact NZ-O 2.96Å; K234-F427 HydrophobicContact CB-CE1 3.69Å; K234-F427 HydrophobicContact CB-CE2 4.1Å; K234-F427 HydrophobicContact CB-CZ 3.36Å; K234-F427 HydrophobicContact CG-CD1 4.15Å; K234-F427 HydrophobicContact CG-CE1 3.67Å; K234-F427 HydrophobicContact CG-CE2 4.36Å; K234-F427 HydrophobicContact CG-CZ 3.76Å; K234-M430 HydrophobicContact CG-SD 4.18Å
235	D	93.2	Very high	92.7	Very high	30 Å²	30	35.3 Å²	35.3	16%	0.16	17%	0.173	C	C	.	.	H	α-helix	trans	47.2	-123.3	169.5	-49.4	-28.3	0	0	0	114	A237 Q238 A239 E488 H489 A492	D235-A237 VanDerWaalsContact C-N 3.28Å; D235-A237 PolarHBondContact O-N 3.12Å; D235-Q238 WeakPolarHBondContact O-CB 3.42Å; D235-Q238 PolarHBondContact O-N 2.95Å; D235-Q238 VanDerWaalsContact O-N 3.11Å; D235-A239 PolarHBondContact O-N 3.23Å; D235-A239 VanDerWaalsContact O-N 3.08Å; D235-E488 HydrophobicContact CB-CB 3.96Å; D235-H489 IonicContact OD1-CD2 3.83Å; D235-H489 PolarHBondContact OD1-CD2 3.05Å; D235-H489 IonicContact OD1-NE2 3.75Å; D235-H489 PolarHBondContact OD1-NE2 3.46Å; D235-H489 IonicContact OD2-CD2 3.51Å; D235-A492 VanDerWaalsContact C-CB 3.48Å
236	V	94.4	Very high	92.6	Very high	31 Å²	31	34.3 Å²	34.3	19%	0.188	17%	0.169	C	C	.	.	H	α-helix	trans	-60.9	-35.6	-178.1	-179.4	0	0	0	0	111.9	K234 Q238 A239 S240 V247 E488 Y491 I495 I564	K234-V236 PolarHBondContact O-N 3.17Å; V236-Q238 VanDerWaalsContact C-N 3.26Å; V236-Q238 PolarHBondContact O-N 2.6Å; V236-A239 PolarHBondContact O-N 2.84Å; V236-S240 WeakPolarHBondContact O-CB 3.49Å; V236-S240 PolarHBondContact O-N 3.23Å; V236-V247 HydrophobicContact CG1-CB 4.26Å; V236-V247 HydrophobicContact CG1-CG1 3.86Å; V236-V247 HydrophobicContact CG1-CG2 4.05Å; V236-E488 WeakPolarHBondContact CG2-O 3.22Å; V236-Y491 HydrophobicContact CG2-CD2 4.27Å; V236-I495 HydrophobicContact CG1-CD1 4.04Å; V236-I564 HydrophobicContact CG1-CD1 4.35Å
237	A	93.9	Very high	92.4	Very high	25 Å²	25	35.8 Å²	35.8	21%	0.207	18%	0.178	C	C	.	.	H	α-helix	trans	-65.1	-34.7	178	0	0	0	0	0	111.5	K234 D235 L241 P423 F427	K234-A237 WeakPolarHBondContact O-CB 3.34Å; K234-A237 PolarHBondContact O-N 3.34Å; D235-A237 VanDerWaalsContact C-N 3.28Å; D235-A237 PolarHBondContact O-N 3.12Å; A237-L241 PolarHBondContact O-N 3.19Å; A237-P423 HydrophobicContact CB-CB 3.95Å; A237-P423 HydrophobicContact CB-CG 3.62Å; A237-F427 HydrophobicContact CB-CE2 4.08Å
238	Q	95.2	Very high	92.4	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-69.9	-48.9	174.9	-162.1	169.5	-16.2	0	0	111.7	F232 K234 D235 V236 S240 L241 L242 F427 P432 I434	F232-Q238 HydrophobicContact CB-CB 4.35Å; F232-Q238 VanDerWaalsContact CB-OE1 3.28Å; F232-Q238 HydrophobicContact CD2-CB 3.91Å; F232-Q238 HydrophobicContact CD2-CG 4.1Å; F232-Q238 HydrophobicContact CE2-CB 4.48Å; F232-Q238 HydrophobicContact CE2-CG 4.41Å; F232-Q238 HydrophobicContact CG-CB 4.29Å; F232-Q238 HydrophobicContact CG-CG 4.26Å; K234-Q238 HydrophobicContact CB-CB 4.09Å; K234-Q238 PolarHBondContact O-N 3.47Å; D235-Q238 WeakPolarHBondContact O-CB 3.42Å; D235-Q238 PolarHBondContact O-N 2.95Å; D235-Q238 VanDerWaalsContact O-N 3.11Å; V236-Q238 VanDerWaalsContact C-N 3.26Å; V236-Q238 PolarHBondContact O-N 2.6Å; Q238-S240 VanDerWaalsContact C-N 3.29Å; Q238-S240 PolarHBondContact O-N 3.41Å; Q238-L241 PolarHBondContact O-N 3.23Å; Q238-L242 HydrophobicContact CG-CD1 4.01Å; Q238-L242 HydrophobicContact CG-CG 4.44Å; Q238-L242 WeakPolarHBondContact O-CB 3.34Å; Q238-L242 WeakPolarHBondContact O-CG 3.41Å; Q238-L242 PolarHBondContact O-N 3.25Å; Q238-F427 VanDerWaalsContact CA-CZ 3.4Å; Q238-F427 HydrophobicContact CB-CE1 4.14Å; Q238-F427 HydrophobicContact CB-CZ 3.66Å; Q238-F427 HydrophobicContact CG-CE1 3.96Å; Q238-F427 HydrophobicContact CG-CZ 3.95Å; Q238-P432 WeakPolarHBondContact CG-O 3.33Å; Q238-P432 PolarHBondContact NE2-O 3.2Å; Q238-I434 PolarHBondContact NE2-O 3.12Å
239	A	95.8	Very high	92.5	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-59.4	-41.1	176.4	0	0	0	0	0	111.8	F232 D235 V236 L241 L242 T243 A492 I495 M496	F232-A239 HydrophobicContact CE2-CB 4.28Å; D235-A239 PolarHBondContact O-N 3.23Å; D235-A239 VanDerWaalsContact O-N 3.08Å; V236-A239 PolarHBondContact O-N 2.84Å; A239-L241 PolarHBondContact O-N 2.9Å; A239-L242 PolarHBondContact O-N 2.88Å; A239-T243 WeakPolarHBondContact O-CB 2.92Å; A239-T243 WeakPolarHBondContact O-CG2 3.35Å; A239-T243 PolarHBondContact O-N 2.98Å; A239-T243 VanDerWaalsContact O-N 3.08Å; A239-T243 PolarHBondContact O-OG1 2.88Å; A239-A492 HydrophobicContact CB-CB 4.1Å; A239-I495 HydrophobicContact CB-CB 4.2Å; A239-I495 HydrophobicContact CB-CD1 4.47Å; A239-I495 HydrophobicContact CB-CG2 4.11Å; A239-M496 HydrophobicContact CB-CG 4.08Å; A239-M496 HydrophobicContact CB-SD 4.07Å
240	S	94.9	Very high	92.9	Very high	6 Å²	6	31.3 Å²	31.3	4%	0.042	16%	0.163	C	C	.	.	H	α-helix	trans	-58.9	-45.7	176.8	171.9	0	0	0	0	112.3	V236 Q238 N244 T245 L422	V236-S240 WeakPolarHBondContact O-CB 3.49Å; V236-S240 PolarHBondContact O-N 3.23Å; Q238-S240 VanDerWaalsContact C-N 3.29Å; Q238-S240 PolarHBondContact O-N 3.41Å; S240-N244 PolarHBondContact O-N 3.45Å; S240-N244 VanDerWaalsContact O-N 3.12Å; S240-T245 WeakPolarHBondContact CB-O 3Å; S240-T245 PolarHBondContact O-N 3.11Å; S240-T245 PolarHBondContact OG-O 3.18Å; S240-L422 WeakPolarHBondContact OG-CD2 3.46Å
241	L	93.8	Very high	93.2	Very high	7 Å²	7	25.7 Å²	25.7	4%	0.037	14%	0.143	C	C	.	.	H	α-helix	trans	-71	-43.8	176.7	-72.2	176.6	0	0	0	112.9	A237 Q238 A239 T243 N244 L422 P423 V424 F427 P432 Y547	A237-L241 PolarHBondContact O-N 3.19Å; Q238-L241 PolarHBondContact O-N 3.23Å; A239-L241 PolarHBondContact O-N 2.9Å; L241-T243 PolarHBondContact O-N 3.23Å; L241-N244 PolarHBondContact O-N 2.99Å; L241-L422 HydrophobicContact CD2-CB 3.8Å; L241-L422 HydrophobicContact CD2-CD1 4.37Å; L241-P423 HydrophobicContact CG-CG 4.43Å; L241-V424 HydrophobicContact CD2-CB 4.49Å; L241-V424 HydrophobicContact CD2-CG2 3.63Å; L241-F427 HydrophobicContact CD1-CD2 3.34Å; L241-F427 HydrophobicContact CD1-CE2 3.29Å; L241-F427 HydrophobicContact CD1-CG 4.17Å; L241-F427 HydrophobicContact CD1-CZ 4.06Å; L241-F427 HydrophobicContact CG-CE2 4.33Å; L241-P432 HydrophobicContact CB-CB 4.49Å; L241-P432 HydrophobicContact CD1-CG 4.18Å; L241-Y547 HydrophobicContact CD2-CD2 4.05Å
242	L	95.4	Very high	93.3	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-64.2	-22.2	-179.2	-73.7	177.2	0	0	0	112.9	F232 Q238 A239 Y378 I387 P432 L433 L436 M496 V544	F232-L242 HydrophobicContact CE2-CD1 4.1Å; F232-L242 HydrophobicContact CZ-CD1 3.78Å; Q238-L242 HydrophobicContact CG-CD1 4.01Å; Q238-L242 HydrophobicContact CG-CG 4.44Å; Q238-L242 WeakPolarHBondContact O-CB 3.34Å; Q238-L242 WeakPolarHBondContact O-CG 3.41Å; Q238-L242 PolarHBondContact O-N 3.25Å; A239-L242 PolarHBondContact O-N 2.88Å; L242-Y378 VanDerWaalsContact O-CE2 3.3Å; L242-Y378 WeakPolarHBondContact O-CE2 3.13Å; L242-Y378 VanDerWaalsContact O-CZ 3.3Å; L242-Y378 PolarHBondContact O-OH 2.86Å; L242-I387 HydrophobicContact CD2-CD1 4.11Å; L242-P432 HydrophobicContact CD2-CB 4.17Å; L242-L433 HydrophobicContact CD2-CD2 3.84Å; L242-L436 HydrophobicContact CD1-CD1 4.49Å; L242-M496 HydrophobicContact CB-CE 4.33Å; L242-M496 HydrophobicContact CB-SD 4.25Å; L242-M496 HydrophobicContact CD1-CE 4.2Å; L242-V544 WeakPolarHBondContact O-CG1 3.29Å
243	T	95.6	Very high	92.9	Very high	0 Å²	0	21 Å²	21	0%	0	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.9	3.7	-177.8	61.6	0	0	0	0	113.7	A239 L241 T245 I495 M496 F499 N560	A239-T243 WeakPolarHBondContact O-CB 2.92Å; A239-T243 WeakPolarHBondContact O-CG2 3.35Å; A239-T243 PolarHBondContact O-N 2.98Å; A239-T243 VanDerWaalsContact O-N 3.08Å; A239-T243 PolarHBondContact O-OG1 2.88Å; L241-T243 PolarHBondContact O-N 3.23Å; T243-T245 VanDerWaalsContact C-N 3.26Å; T243-T245 WeakPolarHBondContact CB-OG1 3.35Å; T243-T245 PolarHBondContact O-N 3.04Å; T243-T245 PolarHBondContact O-OG1 3.01Å; T243-T245 VanDerWaalsContact O-OG1 3.12Å; T243-T245 VanDerWaalsContact OG1-CB 3.24Å; T243-T245 WeakPolarHBondContact OG1-CB 3.43Å; T243-T245 PolarHBondContact OG1-OG1 3.37Å; T243-I495 HydrophobicContact CG2-CG2 4.39Å; T243-M496 HydrophobicContact CG2-CE 4.49Å; T243-M496 HydrophobicContact CG2-SD 3.57Å; T243-M496 VanDerWaalsContact CG2-SD 3.57Å; T243-F499 HydrophobicContact CG2-CB 3.77Å; T243-F499 HydrophobicContact CG2-CD1 3.6Å; T243-F499 HydrophobicContact CG2-CD2 4.19Å; T243-F499 HydrophobicContact CG2-CE1 4.2Å; T243-F499 HydrophobicContact CG2-CG 3.58Å; T243-N560 PolarHBondContact O-ND2 2.93Å
244	N	94.6	Very high	92.5	Very high	6 Å²	6	19.1 Å²	19.1	3%	0.032	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	45.1	-172.7	-168.4	16.8	0	0	0	112.7	S240 L241 V544 Y547 N560	S240-N244 PolarHBondContact O-N 3.45Å; S240-N244 VanDerWaalsContact O-N 3.12Å; L241-N244 PolarHBondContact O-N 2.99Å; N244-V544 HydrophobicContact CB-CB 4.42Å; N244-V544 HydrophobicContact CB-CG1 4.08Å; N244-V544 HydrophobicContact CB-CG2 4.15Å; N244-Y547 PolarHBondContact OD1-OH 3.29Å; N244-N560 PolarHBondContact O-N 2.86Å
245	T	95	Very high	92.3	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	127.8	-168.9	-58.4	0	0	0	0	111.9	S240 T243 V247 L422 F537 N560 A562	S240-T245 WeakPolarHBondContact CB-O 3Å; S240-T245 PolarHBondContact O-N 3.11Å; S240-T245 PolarHBondContact OG-O 3.18Å; T243-T245 VanDerWaalsContact C-N 3.26Å; T243-T245 WeakPolarHBondContact CB-OG1 3.35Å; T243-T245 PolarHBondContact O-N 3.04Å; T243-T245 PolarHBondContact O-OG1 3.01Å; T243-T245 VanDerWaalsContact O-OG1 3.12Å; T243-T245 VanDerWaalsContact OG1-CB 3.24Å; T243-T245 WeakPolarHBondContact OG1-CB 3.43Å; T243-T245 PolarHBondContact OG1-OG1 3.37Å; T245-V247 HydrophobicContact CG2-CG2 4.4Å; T245-L422 VanDerWaalsContact O-CD2 3.28Å; T245-L422 WeakPolarHBondContact O-CD2 3.08Å; T245-F537 HydrophobicContact CG2-CD2 4.34Å; T245-F537 HydrophobicContact CG2-CE2 3.67Å; T245-F537 HydrophobicContact CG2-CZ 4.34Å; T245-F537 VanDerWaalsContact OG1-CE2 3.29Å; T245-F537 WeakPolarHBondContact OG1-CE2 3.33Å; T245-F537 WeakPolarHBondContact OG1-CZ 3.31Å; T245-N560 CarbonylContact C-O 2.9Å; T245-N560 WeakPolarHBondContact CA-O 3.44Å; T245-N560 HydrophobicContact CG2-CB 4.29Å; T245-N560 WeakPolarHBondContact OG1-CB 3.07Å; T245-A562 HydrophobicContact CG2-CB 3.57Å
246	V	93.3	Very high	92.2	Very high	19 Å²	19	16.2 Å²	16.2	12%	0.115	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	117.4	167.6	-179.7	0	0	0	0	108.6	A420 L422 K559 N560 F561 A562	V246-A420 HydrophobicContact CB-CB 4.14Å; V246-A420 HydrophobicContact CG1-CB 3.58Å; V246-A420 HydrophobicContact CG2-CB 3.4Å; V246-A420 VanDerWaalsContact CG2-CB 3.4Å; V246-L422 HydrophobicContact CG2-CD2 4.37Å; V246-K559 HydrophobicContact CG2-CB 3.99Å; V246-K559 HydrophobicContact CG2-CD 3.69Å; V246-K559 HydrophobicContact CG2-CG 4.5Å; V246-N560 PolarHBondContact N-O 2.96Å; V246-F561 HydrophobicContact CB-CD1 3.82Å; V246-F561 HydrophobicContact CB-CE1 4.03Å; V246-F561 HydrophobicContact CG1-CD1 4.32Å; V246-F561 HydrophobicContact CG1-CE1 4.44Å; V246-F561 HydrophobicContact CG2-CD1 4.42Å; V246-F561 HydrophobicContact CG2-CE1 4.2Å; V246-F561 WeakPolarHBondContact O-CA 3.38Å; V246-A562 PolarHBondContact O-N 2.75Å
247	V	92.6	Very high	91.9	Very high	34 Å²	34	19.4 Å²	19.4	21%	0.206	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	133	-177.9	-178.5	0	0	0	0	110	V236 T245 I495 A562 I564	V236-V247 HydrophobicContact CG1-CB 4.26Å; V236-V247 HydrophobicContact CG1-CG1 3.86Å; V236-V247 HydrophobicContact CG1-CG2 4.05Å; T245-V247 HydrophobicContact CG2-CG2 4.4Å; V247-I495 HydrophobicContact CG1-CD1 4.34Å; V247-I495 HydrophobicContact CG2-CD1 3.77Å; V247-A562 CarbonylContact C-O 3.54Å; V247-A562 WeakPolarHBondContact CA-O 3.24Å; V247-A562 HydrophobicContact CG2-CB 4.47Å; V247-I564 HydrophobicContact CG1-CD1 3.3Å; V247-I564 HydrophobicContact CG1-CG1 4Å
248	T	91.1	Very high	91.7	Very high	16 Å²	16	18.7 Å²	18.7	10%	0.098	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	136.3	179.5	-67.1	0	0	0	0	109.7	A562 W563 I564 L620	T248-A562 PolarHBondContact N-O 3.02Å; T248-W563 CarbonylContact O-C 3.54Å; T248-W563 WeakPolarHBondContact O-CA 3.48Å; T248-I564 PolarHBondContact O-N 3.01Å; T248-L620 HydrophobicContact CG2-CD2 3.11Å; T248-L620 WeakPolarHBondContact OG1-CD2 3.15Å
249	L	90.7	Very high	91.6	Very high	69 Å²	69	19.4 Å²	19.4	36%	0.361	12%	0.115	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	144.5	168.8	-60.3	-163.7	0	0	0	111.2	I564 I623 I627	L249-I564 CarbonylContact C-O 3.23Å; L249-I564 HydrophobicContact CD2-CB 4.19Å; L249-I564 HydrophobicContact CD2-CD1 4.46Å; L249-I623 HydrophobicContact CB-CD1 4.42Å; L249-I623 HydrophobicContact CB-CG2 4.07Å; L249-I623 HydrophobicContact CD1-CG2 3.45Å; L249-I623 VanDerWaalsContact CD1-CG2 3.45Å; L249-I623 HydrophobicContact CG-CG2 3.75Å; L249-I627 HydrophobicContact CD1-CD1 3.72Å; L249-I627 HydrophobicContact CD1-CG1 4.01Å; L249-I627 HydrophobicContact CD2-CD1 4.39Å; L249-I627 HydrophobicContact CG-CD1 4.17Å
250	G	91	Very high	91.4	Very high	27 Å²	27	23.2 Å²	23.2	28%	0.278	14%	0.135	S	C	.	.	S	Bend	trans	93.2	153.7	-172.7	0	0	0	0	0	112.6	W563 I564	G250-W563 WeakPolarHBondContact O-CB 3.48Å; G250-I564 PolarHBondContact N-O 2.62Å
251	A	89.7	Confident	91.2	Very high	7 Å²	7	27.2 Å²	27.2	6%	0.058	15%	0.152	C	C	.	.			trans	-72.5	157.9	176.9	0	0	0	0	0	110.7	L255 N256 D565	A251-L255 HydrophobicContact CB-CB 4.24Å; A251-N256 WeakPolarHBondContact CB-OD1 3.2Å; A251-N256 PolarHBondContact O-ND2 3.4Å; A251-D565 HydrophobicContact CB-CB 3.84Å
252	P	89.6	Confident	91.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.15	C	C	.	.			trans	-54.3	145.1	171.5	-23.2	32.1	0	0	0	111.5	T254 L255 N256 F406 T536 W563	P252-T254 PolarHBondContact O-N 2.94Å; P252-L255 HydrophobicContact CG-CD1 4.08Å; P252-L255 PolarHBondContact O-N 3.2Å; P252-N256 PolarHBondContact O-N 3.15Å; P252-F406 HydrophobicContact CB-CB 4.45Å; P252-F406 HydrophobicContact CB-CD1 3.27Å; P252-F406 HydrophobicContact CB-CE1 3.63Å; P252-F406 HydrophobicContact CB-CG 3.95Å; P252-F406 HydrophobicContact CG-CD1 3.68Å; P252-F406 HydrophobicContact CG-CD2 4.47Å; P252-F406 HydrophobicContact CG-CE1 3.78Å; P252-F406 HydrophobicContact CG-CG 4.03Å; P252-F406 HydrophobicContact CG-CZ 4.24Å; P252-T536 HydrophobicContact CG-CG2 4.01Å; P252-W563 HydrophobicContact CB-CD2 4.49Å; P252-W563 HydrophobicContact CG-CB 3.89Å; P252-W563 HydrophobicContact CG-CD2 3.77Å; P252-W563 HydrophobicContact CG-CE3 4Å; P252-W563 HydrophobicContact CG-CG 3.71Å
253	P	84.8	Confident	91	Very high	24 Å²	24	29.4 Å²	29.4	16%	0.156	16%	0.164	C	C	.	.	H	α-helix	trans	-51.7	-36	-177.4	-31.5	36.7	0	0	0	114.7	N256 N257 I612 L616	P253-N256 PolarHBondContact O-N 3.39Å; P253-N257 WeakPolarHBondContact O-CB 3.08Å; P253-N257 PolarHBondContact O-N 2.98Å; P253-N257 PolarHBondContact O-ND2 2.61Å; P253-I612 HydrophobicContact CG-CG1 4.28Å; P253-I612 HydrophobicContact CG-CG2 4.19Å; P253-L616 HydrophobicContact CB-CD1 3.67Å; P253-L616 HydrophobicContact CG-CB 4.41Å; P253-L616 HydrophobicContact CG-CD1 3.67Å
254	T	84.6	Confident	90.7	Very high	17 Å²	17	34.6 Å²	34.6	10%	0.104	19%	0.188	C	C	.	.	H	α-helix	trans	-66.6	-41.5	178.2	51.3	0	0	0	0	112.5	P252 N257 L258 F406 F610	P252-T254 PolarHBondContact O-N 2.94Å; T254-N257 PolarHBondContact O-N 2.93Å; T254-L258 PolarHBondContact O-N 2.95Å; T254-F406 WeakPolarHBondContact OG1-CD1 2.96Å; T254-F406 WeakPolarHBondContact OG1-CE1 3.15Å; T254-F610 HydrophobicContact CG2-CB 4.32Å; T254-F610 HydrophobicContact CG2-CD1 3.99Å
255	L	90.1	Very high	90.5	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-69.9	-39.2	174.8	-84.1	168.6	0	0	0	111.6	A251 P252 L258 F259 F406 Y600 C603	A251-L255 HydrophobicContact CB-CB 4.24Å; P252-L255 HydrophobicContact CG-CD1 4.08Å; P252-L255 PolarHBondContact O-N 3.2Å; L255-L258 PolarHBondContact O-N 3.27Å; L255-F259 WeakPolarHBondContact O-CB 3.47Å; L255-F259 PolarHBondContact O-N 2.89Å; L255-F406 HydrophobicContact CD1-CE1 3.81Å; L255-F406 HydrophobicContact CD1-CZ 3.64Å; L255-F406 HydrophobicContact CG-CE1 3.9Å; L255-F406 HydrophobicContact CG-CZ 4.09Å; L255-Y600 HydrophobicContact CD1-CD1 4.41Å; L255-Y600 HydrophobicContact CD1-CD2 4.39Å; L255-Y600 HydrophobicContact CD1-CE1 3.97Å; L255-Y600 HydrophobicContact CD1-CE2 3.96Å; L255-Y600 HydrophobicContact CD2-CD2 4.12Å; L255-Y600 HydrophobicContact CD2-CE2 4.38Å; L255-Y600 HydrophobicContact CD2-CG 4.37Å; L255-C603 HydrophobicContact CD2-CB 3.83Å
256	N	89.7	Confident	90.1	Very high	52 Å²	52	37 Å²	37	28%	0.278	20%	0.201	S	C	.	.	H	α-helix	trans	-61.9	-42.4	172.8	-84.2	-23.5	0	0	0	111.7	A251 P252 P253 L258 F259 N260	A251-N256 WeakPolarHBondContact CB-OD1 3.2Å; A251-N256 PolarHBondContact O-ND2 3.4Å; P252-N256 PolarHBondContact O-N 3.15Å; P253-N256 PolarHBondContact O-N 3.39Å; N256-L258 VanDerWaalsContact C-N 3.35Å; N256-L258 PolarHBondContact O-N 2.95Å; N256-F259 PolarHBondContact O-N 2.97Å; N256-N260 WeakPolarHBondContact O-CB 3.31Å; N256-N260 PolarHBondContact O-N 3.13Å; N256-N260 PolarHBondContact O-ND2 3.42Å; N256-N260 PolarHBondContact O-OD1 3.28Å
257	N	88.2	Confident	89.7	Confident	97 Å²	97	43.1 Å²	43.1	52%	0.519	23%	0.226	S	C	.	.	H	α-helix	trans	-62.9	-41.5	175.8	-73.4	-19.3	0	0	0	112	P253 T254 N260 K261	P253-N257 WeakPolarHBondContact O-CB 3.08Å; P253-N257 PolarHBondContact O-N 2.98Å; P253-N257 PolarHBondContact O-ND2 2.61Å; T254-N257 PolarHBondContact O-N 2.93Å; N257-N260 PolarHBondContact O-N 2.68Å; N257-K261 PolarHBondContact O-N 2.91Å
258	L	90.5	Very high	89.4	Confident	10 Å²	10	44.9 Å²	44.9	5%	0.052	23%	0.233	C	C	.	.	H	α-helix	trans	-64.3	-42.7	175.3	-179.6	59.2	0	0	0	111.5	T254 L255 N256 K261 I262 L352 S599 L602 I606	T254-L258 PolarHBondContact O-N 2.95Å; L255-L258 PolarHBondContact O-N 3.27Å; N256-L258 VanDerWaalsContact C-N 3.35Å; N256-L258 PolarHBondContact O-N 2.95Å; L258-K261 PolarHBondContact O-N 2.98Å; L258-I262 HydrophobicContact CG-CD1 4.45Å; L258-I262 WeakPolarHBondContact O-CG1 3.39Å; L258-I262 PolarHBondContact O-N 2.9Å; L258-I262 VanDerWaalsContact O-N 3.11Å; L258-L352 HydrophobicContact CD1-CD1 3.38Å; L258-S599 WeakPolarHBondContact CD2-O 3.32Å; L258-L602 HydrophobicContact CD2-CB 4.1Å; L258-I606 HydrophobicContact CD1-CD1 3.72Å; L258-I606 HydrophobicContact CD2-CD1 3.93Å; L258-I606 HydrophobicContact CG-CD1 4.45Å
259	F	92.7	Very high	88.9	Confident	16 Å²	16	46.4 Å²	46.4	7%	0.07	24%	0.243	C	C	.	.	H	α-helix	trans	-60.4	-44.7	173.6	174.1	-106.5	0	0	0	111.7	L255 N256 K261 I262 D263 D595 R596	L255-F259 WeakPolarHBondContact O-CB 3.47Å; L255-F259 PolarHBondContact O-N 2.89Å; N256-F259 PolarHBondContact O-N 2.97Å; F259-K261 VanDerWaalsContact C-N 3.34Å; F259-K261 PolarHBondContact O-N 3.32Å; F259-I262 CarbonylContact O-C 3.53Å; F259-I262 WeakPolarHBondContact O-CB 3.15Å; F259-I262 PolarHBondContact O-N 3.25Å; F259-I262 VanDerWaalsContact O-N 3.08Å; F259-D263 WeakPolarHBondContact O-CB 3.44Å; F259-D263 PolarHBondContact O-N 3.37Å; F259-D595 HydrophobicContact CD2-CB 4.31Å; F259-D595 HydrophobicContact CE2-CB 3.88Å; F259-R596 HydrophobicContact CD2-CB 4.3Å; F259-R596 HydrophobicContact CD2-CG 3.52Å; F259-R596 HydrophobicContact CE2-CB 4.39Å; F259-R596 HydrophobicContact CE2-CG 3.42Å; F259-R596 VanDerWaalsContact CE2-CG 3.42Å; F259-R596 HydrophobicContact CG-CG 4.18Å; F259-R596 HydrophobicContact CZ-CG 4Å
260	N	91.6	Very high	88.5	Confident	79 Å²	79	50.4 Å²	50.4	42%	0.422	27%	0.265	S	S	.	.	H	α-helix	trans	-59.9	-41.4	177.4	-69	-19.4	0	0	0	112.1	N256 N257 I262 D263 E264	N256-N260 WeakPolarHBondContact O-CB 3.31Å; N256-N260 PolarHBondContact O-N 3.13Å; N256-N260 PolarHBondContact O-ND2 3.42Å; N256-N260 PolarHBondContact O-OD1 3.28Å; N257-N260 PolarHBondContact O-N 2.68Å; N260-I262 VanDerWaalsContact C-N 3.32Å; N260-I262 PolarHBondContact O-N 2.85Å; N260-D263 PolarHBondContact O-N 3.03Å; N260-E264 WeakPolarHBondContact O-CG 3.13Å; N260-E264 PolarHBondContact O-N 2.99Å
261	K	90.7	Very high	88.3	Confident	91 Å²	91	54.4 Å²	54.4	40%	0.396	28%	0.284	S	S	.	.	H	α-helix	trans	-61.9	-38.5	173.6	-73.4	-175.3	176.5	-168.4	0	112.8	N257 L258 F259 L352	N257-K261 PolarHBondContact O-N 2.91Å; L258-K261 PolarHBondContact O-N 2.98Å; F259-K261 VanDerWaalsContact C-N 3.34Å; F259-K261 PolarHBondContact O-N 3.32Å; K261-L352 HydrophobicContact CD-CD2 4.21Å
262	I	92.5	Very high	88.2	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-68.8	-40.6	175.9	-67.4	170.1	0	0	0	110.3	L258 F259 N260 E264 L265 R279 Y346 T350 D595 L602	L258-I262 HydrophobicContact CG-CD1 4.45Å; L258-I262 WeakPolarHBondContact O-CG1 3.39Å; L258-I262 PolarHBondContact O-N 2.9Å; L258-I262 VanDerWaalsContact O-N 3.11Å; F259-I262 CarbonylContact O-C 3.53Å; F259-I262 WeakPolarHBondContact O-CB 3.15Å; F259-I262 PolarHBondContact O-N 3.25Å; F259-I262 VanDerWaalsContact O-N 3.08Å; N260-I262 VanDerWaalsContact C-N 3.32Å; N260-I262 PolarHBondContact O-N 2.85Å; I262-E264 VanDerWaalsContact C-N 3.32Å; I262-E264 PolarHBondContact O-N 2.6Å; I262-L265 VanDerWaalsContact O-CB 3.25Å; I262-L265 WeakPolarHBondContact O-CB 3.2Å; I262-L265 PolarHBondContact O-N 3.12Å; I262-L265 VanDerWaalsContact O-N 3.13Å; I262-R279 PolarHBondContact O-NH2 3.45Å; I262-Y346 HydrophobicContact CD1-CD1 4.48Å; I262-Y346 HydrophobicContact CG1-CD1 4.23Å; I262-Y346 HydrophobicContact CG2-CD1 4.08Å; I262-Y346 HydrophobicContact CG2-CE1 3.59Å; I262-T350 HydrophobicContact CG1-CG2 4.3Å; I262-D595 HydrophobicContact CG2-CB 3.76Å; I262-L602 HydrophobicContact CD1-CD1 4Å
263	D	91.9	Very high	88.2	Confident	53 Å²	53	64.2 Å²	64.2	28%	0.283	33%	0.328	S	S	.	.	H	α-helix	trans	-68	-30.3	178.7	-169	54.2	0	0	0	112.5	F259 N260 L265 N266	F259-D263 WeakPolarHBondContact O-CB 3.44Å; F259-D263 PolarHBondContact O-N 3.37Å; N260-D263 PolarHBondContact O-N 3.03Å; D263-L265 PolarHBondContact O-N 2.8Å; D263-N266 WeakPolarHBondContact O-CA 3.46Å; D263-N266 VanDerWaalsContact O-CB 3.23Å; D263-N266 WeakPolarHBondContact O-CB 3.15Å; D263-N266 PolarHBondContact O-N 3.22Å; D263-N266 PolarHBondContact OD1-ND2 2.9Å
264	E	90.5	Very high	88.5	Confident	108 Å²	108	66 Å²	66	51%	0.505	34%	0.339	S	S	.	.	H	α-helix	trans	-57.7	-32.7	169.9	-78.2	174.9	179.6	0	0	112.5	N260 I262 N266 K267 L268	N260-E264 WeakPolarHBondContact O-CG 3.13Å; N260-E264 PolarHBondContact O-N 2.99Å; I262-E264 VanDerWaalsContact C-N 3.32Å; I262-E264 PolarHBondContact O-N 2.6Å; E264-N266 PolarHBondContact O-N 3.26Å; E264-K267 WeakPolarHBondContact O-CB 3.3Å; E264-K267 PolarHBondContact O-N 3.44Å; E264-L268 PolarHBondContact O-N 2.93Å
265	L	90.1	Very high	88.9	Confident	4 Å²	4	65.4 Å²	65.4	2%	0.021	34%	0.336	C	S	.	.	H	α-helix	trans	-63.1	-27.2	173.7	-56.7	-180	0	0	0	112.4	I262 D263 K267 L268 I275 W278 Y346 T350	I262-L265 VanDerWaalsContact O-CB 3.25Å; I262-L265 WeakPolarHBondContact O-CB 3.2Å; I262-L265 PolarHBondContact O-N 3.12Å; I262-L265 VanDerWaalsContact O-N 3.13Å; D263-L265 PolarHBondContact O-N 2.8Å; L265-K267 VanDerWaalsContact C-N 3.25Å; L265-K267 PolarHBondContact O-N 2.9Å; L265-L268 HydrophobicContact CD2-CD1 4.25Å; L265-L268 PolarHBondContact O-N 2.77Å; L265-I275 HydrophobicContact CD2-CD1 4.46Å; L265-W278 HydrophobicContact CD1-CH2 4.12Å; L265-W278 HydrophobicContact CD1-CZ3 3.93Å; L265-Y346 HydrophobicContact CD1-CD1 4.39Å; L265-T350 HydrophobicContact CD1-CG2 3.72Å; L265-T350 HydrophobicContact CD2-CG2 4.36Å; L265-T350 HydrophobicContact CG-CG2 4.07Å
266	N	85.9	Confident	88.9	Confident	54 Å²	54	66.6 Å²	66.6	29%	0.289	35%	0.346	S	S	.	.	H	α-helix	trans	-67.8	-29.6	175.6	-64.8	-35.7	0	0	0	111.2	D263 E264 L268 V269 R279 D595	D263-N266 WeakPolarHBondContact O-CA 3.46Å; D263-N266 VanDerWaalsContact O-CB 3.23Å; D263-N266 WeakPolarHBondContact O-CB 3.15Å; D263-N266 PolarHBondContact O-N 3.22Å; D263-N266 PolarHBondContact OD1-ND2 2.9Å; E264-N266 PolarHBondContact O-N 3.26Å; N266-L268 VanDerWaalsContact C-N 3.33Å; N266-V269 WeakPolarHBondContact O-CG2 3.35Å; N266-R279 PolarHBondContact OD1-NE 3.08Å; N266-R279 PolarHBondContact OD1-NH2 3.16Å; N266-D595 PolarHBondContact ND2-OD2 2.92Å; N266-D595 VanDerWaalsContact ND2-OD2 3.16Å
267	K	86.1	Confident	89.1	Confident	146 Å²	146	69.6 Å²	69.6	64%	0.635	36%	0.358	S	S	*	.	H	α-helix	trans	-75.1	-23.8	175.6	-57.1	175.4	-174.3	167.3	0	112.6	E264 L265 V269	E264-K267 WeakPolarHBondContact O-CB 3.3Å; E264-K267 PolarHBondContact O-N 3.44Å; L265-K267 VanDerWaalsContact C-N 3.25Å; L265-K267 PolarHBondContact O-N 2.9Å; K267-V269 VanDerWaalsContact C-N 3.35Å
268	L	85.8	Confident	89.4	Confident	71 Å²	71	66 Å²	66	37%	0.372	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-6.4	179.1	-63.2	177.3	0	0	0	113.7	E264 L265 N266 D270 T271 D272 I275	E264-L268 PolarHBondContact O-N 2.93Å; L265-L268 HydrophobicContact CD2-CD1 4.25Å; L265-L268 PolarHBondContact O-N 2.77Å; N266-L268 VanDerWaalsContact C-N 3.33Å; L268-D270 PolarHBondContact O-N 2.9Å; L268-T271 PolarHBondContact O-N 2.72Å; L268-T271 VanDerWaalsContact O-N 3.13Å; L268-T271 PolarHBondContact O-OG1 3.35Å; L268-D272 PolarHBondContact O-N 3.29Å; L268-I275 HydrophobicContact CB-CD1 4.15Å; L268-I275 HydrophobicContact CD1-CD1 4Å
269	V	81.3	Confident	89.5	Confident	48 Å²	48	66.3 Å²	66.3	29%	0.291	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-31.6	-178.9	173	0	0	0	0	112.2	N266 K267 A276 R279	N266-V269 WeakPolarHBondContact O-CG2 3.35Å; K267-V269 VanDerWaalsContact C-N 3.35Å; V269-A276 HydrophobicContact CG1-CB 4.06Å; V269-A276 WeakPolarHBondContact O-CB 3.46Å; V269-R279 HydrophobicContact CG2-CB 4.17Å; V269-R279 HydrophobicContact CG2-CG 3.94Å
270	D	81.1	Confident	89.5	Confident	154 Å²	154	67.8 Å²	67.8	82%	0.824	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-19.3	-179.6	-65.5	-33.2	0	0	0	113.2	L268	L268-D270 PolarHBondContact O-N 2.9Å
271	T	86.4	Confident	89.6	Confident	111 Å²	111	67.1 Å²	67.1	68%	0.681	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.4	-33.1	-172.2	55.9	0	0	0	0	113.3	L268	L268-T271 PolarHBondContact O-N 2.72Å; L268-T271 VanDerWaalsContact O-N 3.13Å; L268-T271 PolarHBondContact O-OG1 3.35Å
272	D	87.6	Confident	89.7	Confident	63 Å²	63	62.8 Å²	62.8	34%	0.337	33%	0.333	S	S	.	.			trans	-115.8	104.9	-172.9	-164.7	-1.9	0	0	0	112	L268 P274 I275 A276	L268-D272 PolarHBondContact O-N 3.29Å; D272-P274 WeakPolarHBondContact OD1-CD 3.29Å; D272-P274 WeakPolarHBondContact OD1-CG 3.36Å; D272-I275 HydrophobicContact CB-CB 4.17Å; D272-I275 HydrophobicContact CB-CD1 3.97Å; D272-I275 HydrophobicContact CB-CG1 4.14Å; D272-I275 PolarHBondContact O-N 3.01Å; D272-I275 VanDerWaalsContact O-N 3.16Å; D272-I275 WeakPolarHBondContact OD2-CD1 3.38Å; D272-A276 PolarHBondContact O-N 3.29Å
273	K	89.7	Confident	89.8	Confident	149 Å²	149	66.1 Å²	66.1	65%	0.648	35%	0.345	S	S	*	.	H	α-helix	trans	-55.5	-49.6	-174.2	-171.5	178.8	175.5	-175.4	0	114.4	I275 A276 E277	K273-I275 VanDerWaalsContact C-N 3.32Å; K273-I275 PolarHBondContact O-N 3.2Å; K273-A276 WeakPolarHBondContact O-CB 3.32Å; K273-A276 PolarHBondContact O-N 2.84Å; K273-E277 WeakPolarHBondContact CE-OE1 3.38Å; K273-E277 WeakPolarHBondContact O-CG 3.35Å; K273-E277 PolarHBondContact O-N 3.25Å
274	P	92.6	Very high	89.9	Confident	61 Å²	61	67.2 Å²	67.2	40%	0.396	35%	0.351	S	S	.	.	H	α-helix	trans	-58.4	-39.3	175.5	21.4	-36.1	0	0	0	113.4	D272 W278	D272-P274 WeakPolarHBondContact OD1-CD 3.29Å; D272-P274 WeakPolarHBondContact OD1-CG 3.36Å; P274-W278 VanDerWaalsContact O-CB 3.28Å; P274-W278 WeakPolarHBondContact O-CB 3.49Å; P274-W278 PolarHBondContact O-N 3.45Å
275	I	91.5	Very high	90	Very high	5 Å²	5	63.8 Å²	63.8	3%	0.026	34%	0.339	C	S	.	.	H	α-helix	trans	-66	-42.9	176.4	-63.5	-179.3	0	0	0	109.9	L265 L268 D272 K273 W278 R279 Y349	L265-I275 HydrophobicContact CD2-CD1 4.46Å; L268-I275 HydrophobicContact CB-CD1 4.15Å; L268-I275 HydrophobicContact CD1-CD1 4Å; D272-I275 HydrophobicContact CB-CB 4.17Å; D272-I275 HydrophobicContact CB-CD1 3.97Å; D272-I275 HydrophobicContact CB-CG1 4.14Å; D272-I275 PolarHBondContact O-N 3.01Å; D272-I275 VanDerWaalsContact O-N 3.16Å; D272-I275 WeakPolarHBondContact OD2-CD1 3.38Å; K273-I275 VanDerWaalsContact C-N 3.32Å; K273-I275 PolarHBondContact O-N 3.2Å; I275-W278 HydrophobicContact CG2-CE3 4.41Å; I275-W278 PolarHBondContact O-N 3.38Å; I275-R279 HydrophobicContact CG2-CG 4.18Å; I275-R279 VanDerWaalsContact O-CB 3.31Å; I275-R279 WeakPolarHBondContact O-CB 3.09Å; I275-R279 WeakPolarHBondContact O-CG 3.45Å; I275-R279 PolarHBondContact O-N 3.49Å; I275-Y349 HydrophobicContact CD1-CD1 4.19Å; I275-Y349 HydrophobicContact CG1-CD1 3.82Å; I275-Y349 HydrophobicContact CG1-CE1 3.94Å; I275-Y349 HydrophobicContact CG1-CG 4.23Å
276	A	91.7	Very high	90.2	Very high	26 Å²	26	63.6 Å²	63.6	22%	0.215	34%	0.338	C	S	.	.	H	α-helix	trans	-60.8	-46.8	178	0	0	0	0	0	112.6	V269 D272 K273 S280	V269-A276 HydrophobicContact CG1-CB 4.06Å; V269-A276 WeakPolarHBondContact O-CB 3.46Å; D272-A276 PolarHBondContact O-N 3.29Å; K273-A276 WeakPolarHBondContact O-CB 3.32Å; K273-A276 PolarHBondContact O-N 2.84Å; A276-S280 WeakPolarHBondContact O-CB 3.31Å; A276-S280 PolarHBondContact O-N 2.98Å
277	E	92.4	Very high	90.5	Very high	116 Å²	116	61.6 Å²	61.6	54%	0.542	33%	0.327	S	S	.	.	H	α-helix	trans	-63.2	-46.1	177.6	-73.2	179	-178.7	0	0	111.4	K273 S280 S281	K273-E277 WeakPolarHBondContact CE-OE1 3.38Å; K273-E277 WeakPolarHBondContact O-CG 3.35Å; K273-E277 PolarHBondContact O-N 3.25Å; E277-S280 PolarHBondContact O-N 3.16Å; E277-S281 PolarHBondContact O-N 2.81Å
278	W	94.5	Very high	90.8	Very high	20 Å²	20	62.4 Å²	62.4	8%	0.076	33%	0.326	C	S	.	.	H	α-helix	trans	-61.1	-49.5	176.4	167.6	69.2	0	0	0	112	L265 P274 I275 S280 S281 L282 Y345 Y346 Y349	L265-W278 HydrophobicContact CD1-CH2 4.12Å; L265-W278 HydrophobicContact CD1-CZ3 3.93Å; P274-W278 VanDerWaalsContact O-CB 3.28Å; P274-W278 WeakPolarHBondContact O-CB 3.49Å; P274-W278 PolarHBondContact O-N 3.45Å; I275-W278 HydrophobicContact CG2-CE3 4.41Å; I275-W278 PolarHBondContact O-N 3.38Å; W278-S280 VanDerWaalsContact C-N 3.29Å; W278-S280 PolarHBondContact O-N 3.25Å; W278-S281 WeakPolarHBondContact O-CB 3.23Å; W278-S281 PolarHBondContact O-N 2.77Å; W278-L282 HydrophobicContact CH2-CD2 4.45Å; W278-L282 HydrophobicContact CZ2-CD2 4.08Å; W278-L282 WeakPolarHBondContact O-CB 3.39Å; W278-L282 PolarHBondContact O-N 2.88Å; W278-Y345 AromaticContact NE1-CG 3.76Å; W278-Y346 AromaticContact CH2-CD1 3.67Å; W278-Y346 HydrophobicContact CH2-CD1 3.67Å; W278-Y346 AromaticContact CH2-CE1 3.61Å; W278-Y346 HydrophobicContact CH2-CE1 3.61Å; W278-Y346 HydrophobicContact CH2-CE2 4.46Å; W278-Y346 HydrophobicContact CH2-CG 4.14Å; W278-Y346 HydrophobicContact CZ2-CD1 4.13Å; W278-Y346 HydrophobicContact CZ2-CD2 4.15Å; W278-Y346 HydrophobicContact CZ2-CE1 4.11Å; W278-Y346 HydrophobicContact CZ2-CE2 4.13Å; W278-Y346 HydrophobicContact CZ2-CG 4.16Å; W278-Y349 HydrophobicContact CB-CE2 4.16Å; W278-Y349 AromaticContact CD2-CD2 3.93Å; W278-Y349 HydrophobicContact CD2-CD2 3.93Å; W278-Y349 AromaticContact CD2-CE2 3.64Å; W278-Y349 HydrophobicContact CD2-CE2 3.64Å; W278-Y349 AromaticContact CE3-CD2 3.67Å; W278-Y349 HydrophobicContact CE3-CD2 3.67Å; W278-Y349 AromaticContact CE3-CE2 3.73Å; W278-Y349 HydrophobicContact CE3-CE2 3.73Å; W278-Y349 AromaticContact CG-CE2 3.81Å; W278-Y349 HydrophobicContact CG-CE2 3.81Å; W278-Y349 HydrophobicContact CH2-CD2 4.31Å; W278-Y349 AromaticContact CZ3-CD2 3.87Å; W278-Y349 HydrophobicContact CZ3-CD2 3.87Å; W278-Y349 HydrophobicContact CZ3-CE2 4.4Å
279	R	93.6	Very high	91.1	Very high	17 Å²	17	59.3 Å²	59.3	6%	0.064	31%	0.31	C	S	.	.	H	α-helix	trans	-60.2	-38.2	177.2	-78.6	-63.5	-164.7	168.3	2.2	112.1	I262 N266 V269 I275 L282 R283 D595	I262-R279 PolarHBondContact O-NH2 3.45Å; N266-R279 PolarHBondContact OD1-NE 3.08Å; N266-R279 PolarHBondContact OD1-NH2 3.16Å; V269-R279 HydrophobicContact CG2-CB 4.17Å; V269-R279 HydrophobicContact CG2-CG 3.94Å; I275-R279 HydrophobicContact CG2-CG 4.18Å; I275-R279 VanDerWaalsContact O-CB 3.31Å; I275-R279 WeakPolarHBondContact O-CB 3.09Å; I275-R279 WeakPolarHBondContact O-CG 3.45Å; I275-R279 PolarHBondContact O-N 3.49Å; R279-L282 PolarHBondContact O-N 3.24Å; R279-R283 WeakPolarHBondContact O-CB 3.47Å; R279-R283 PolarHBondContact O-N 3.13Å; R279-D595 IonicContact CZ-OD1 3.67Å; R279-D595 IonicContact CZ-OD2 3.16Å; R279-D595 IonicContact NH1-OD1 3.5Å; R279-D595 PolarHBondContact NH1-OD1 3.12Å; R279-D595 IonicContact NH1-OD2 3.59Å; R279-D595 PolarHBondContact NH1-OD2 3.11Å; R279-D595 IonicContact NH2-OD1 2.67Å; R279-D595 IonicContact NH2-OD2 3.86Å
280	S	91.8	Very high	91.6	Very high	47 Å²	47	57 Å²	57	33%	0.329	30%	0.296	S	S	.	.	H	α-helix	trans	-64.3	-45.6	175.3	-154.2	0	0	0	0	112.1	A276 E277 W278 R283 L284	A276-S280 WeakPolarHBondContact O-CB 3.31Å; A276-S280 PolarHBondContact O-N 2.98Å; E277-S280 PolarHBondContact O-N 3.16Å; W278-S280 VanDerWaalsContact C-N 3.29Å; W278-S280 PolarHBondContact O-N 3.25Å; S280-R283 PolarHBondContact O-N 3.21Å; S280-L284 WeakPolarHBondContact O-CG 3.36Å; S280-L284 PolarHBondContact O-N 2.67Å
281	S	93.3	Very high	91.9	Very high	65 Å²	65	50.9 Å²	50.9	46%	0.455	26%	0.264	S	S	.	.	H	α-helix	trans	-63	-41.6	176.3	-174.4	0	0	0	0	112.3	E277 W278 L284 S285	E277-S281 PolarHBondContact O-N 2.81Å; W278-S281 WeakPolarHBondContact O-CB 3.23Å; W278-S281 PolarHBondContact O-N 2.77Å; S281-L284 PolarHBondContact O-N 2.8Å; S281-S285 PolarHBondContact O-N 3.13Å; S281-S285 PolarHBondContact O-OG 3.37Å
282	L	94.5	Very high	92	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-61.4	-49	176.1	179	61.4	0	0	0	111.4	W278 R279 L284 S285 V286 I338 Q342 Y346 M591 F594	W278-L282 HydrophobicContact CH2-CD2 4.45Å; W278-L282 HydrophobicContact CZ2-CD2 4.08Å; W278-L282 WeakPolarHBondContact O-CB 3.39Å; W278-L282 PolarHBondContact O-N 2.88Å; R279-L282 PolarHBondContact O-N 3.24Å; L282-L284 VanDerWaalsContact C-N 3.33Å; L282-L284 PolarHBondContact O-N 3.21Å; L282-S285 WeakPolarHBondContact O-CB 3.39Å; L282-S285 PolarHBondContact O-N 3.21Å; L282-S285 VanDerWaalsContact O-N 3.07Å; L282-V286 PolarHBondContact O-N 2.87Å; L282-I338 HydrophobicContact CD1-CG2 3.73Å; L282-Q342 HydrophobicContact CD1-CB 4.42Å; L282-Q342 HydrophobicContact CD1-CG 3.76Å; L282-Y346 HydrophobicContact CD2-CE2 4.29Å; L282-Y346 VanDerWaalsContact CD2-OH 3.28Å; L282-Y346 WeakPolarHBondContact CD2-OH 3.43Å; L282-M591 HydrophobicContact CD2-CE 4.4Å; L282-M591 HydrophobicContact CG-CE 4.21Å; L282-F594 HydrophobicContact CD1-CE1 3.78Å; L282-F594 HydrophobicContact CD1-CZ 4.23Å; L282-F594 HydrophobicContact CD2-CD1 4.47Å; L282-F594 HydrophobicContact CD2-CE1 4.15Å; L282-F594 HydrophobicContact CG-CE1 4.24Å
283	R	93.9	Very high	92.1	Very high	69 Å²	69	45.7 Å²	45.7	26%	0.26	23%	0.229	S	C	.	.	H	α-helix	trans	-56	-47.9	176.3	-177.7	179.1	-178.9	104	3.8	111.2	R279 S280 S285 V286 E287 V589 M591	R279-R283 WeakPolarHBondContact O-CB 3.47Å; R279-R283 PolarHBondContact O-N 3.13Å; S280-R283 PolarHBondContact O-N 3.21Å; R283-S285 VanDerWaalsContact C-N 3.25Å; R283-S285 PolarHBondContact O-N 3.28Å; R283-V286 PolarHBondContact O-N 3.43Å; R283-E287 HydrophobicContact CG-CG 4.32Å; R283-E287 WeakPolarHBondContact CG-OE1 3.48Å; R283-E287 IonicContact CZ-OE1 3.31Å; R283-E287 IonicContact NE-OE1 3.99Å; R283-E287 PolarHBondContact NE-OE1 3.24Å; R283-E287 IonicContact NH2-OE1 3.93Å; R283-E287 VanDerWaalsContact O-CB 3.3Å; R283-E287 WeakPolarHBondContact O-CB 3.33Å; R283-E287 VanDerWaalsContact O-CG 3.28Å; R283-E287 WeakPolarHBondContact O-CG 3.48Å; R283-E287 PolarHBondContact O-N 2.85Å; R283-V589 PolarHBondContact NH1-O 3.12Å; R283-V589 PolarHBondContact NH2-O 3.05Å; R283-M591 HydrophobicContact CB-CG 4.47Å; R283-M591 HydrophobicContact CB-SD 4.23Å; R283-M591 HydrophobicContact CG-CG 4.14Å; R283-M591 HydrophobicContact CG-SD 4.06Å
284	L	93	Very high	91.9	Very high	76 Å²	76	38.9 Å²	38.9	40%	0.398	20%	0.2	S	C	.	.	H	α-helix	trans	-59.9	-35.2	177.1	-73.1	170.9	0	0	0	112.8	S280 S281 L282 R288	S280-L284 WeakPolarHBondContact O-CG 3.36Å; S280-L284 PolarHBondContact O-N 2.67Å; S281-L284 PolarHBondContact O-N 2.8Å; L282-L284 VanDerWaalsContact C-N 3.33Å; L282-L284 PolarHBondContact O-N 3.21Å; L284-R288 WeakPolarHBondContact O-CB 3.14Å; L284-R288 VanDerWaalsContact O-CG 3.25Å; L284-R288 WeakPolarHBondContact O-CG 3.36Å; L284-R288 PolarHBondContact O-N 3.42Å
285	S	94	Very high	91.3	Very high	37 Å²	37	37 Å²	37	26%	0.259	19%	0.187	S	C	.	.	H	α-helix	trans	-68.1	-44.1	177.3	-60.3	0	0	0	0	111.6	S281 L282 R283 R288 S289	S281-S285 PolarHBondContact O-N 3.13Å; S281-S285 PolarHBondContact O-OG 3.37Å; L282-S285 WeakPolarHBondContact O-CB 3.39Å; L282-S285 PolarHBondContact O-N 3.21Å; L282-S285 VanDerWaalsContact O-N 3.07Å; R283-S285 VanDerWaalsContact C-N 3.25Å; R283-S285 PolarHBondContact O-N 3.28Å; S285-R288 PolarHBondContact O-N 2.83Å; S285-S289 PolarHBondContact O-N 3.03Å
286	V	94.4	Very high	90.7	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-64	-46.2	174.8	175	0	0	0	0	110.6	L282 R283 R288 S289 I290 L335 I338 V589 M591 F594	L282-V286 PolarHBondContact O-N 2.87Å; R283-V286 PolarHBondContact O-N 3.43Å; V286-R288 VanDerWaalsContact C-N 3.35Å; V286-R288 PolarHBondContact O-N 3.44Å; V286-S289 WeakPolarHBondContact O-CB 3.03Å; V286-S289 PolarHBondContact O-N 2.88Å; V286-S289 PolarHBondContact O-OG 3.26Å; V286-I290 HydrophobicContact CG1-CD1 4.13Å; V286-I290 WeakPolarHBondContact O-CG1 3.47Å; V286-I290 PolarHBondContact O-N 2.84Å; V286-L335 HydrophobicContact CG1-CD2 4.19Å; V286-L335 HydrophobicContact CG2-CD2 4.5Å; V286-I338 HydrophobicContact CG2-CD1 4.5Å; V286-V589 HydrophobicContact CG1-CG1 4.5Å; V286-M591 HydrophobicContact CB-CE 4.49Å; V286-M591 HydrophobicContact CB-SD 4.13Å; V286-M591 HydrophobicContact CG1-SD 4.19Å; V286-M591 HydrophobicContact CG2-CE 4.01Å; V286-M591 HydrophobicContact CG2-SD 4.29Å; V286-F594 HydrophobicContact CG2-CD1 4.06Å; V286-F594 HydrophobicContact CG2-CD2 3.69Å; V286-F594 HydrophobicContact CG2-CE1 4.21Å; V286-F594 HydrophobicContact CG2-CE2 3.83Å; V286-F594 HydrophobicContact CG2-CG 3.8Å; V286-F594 HydrophobicContact CG2-CZ 4.09Å
287	E	92.6	Very high	90.2	Very high	11 Å²	11	43 Å²	43	5%	0.051	21%	0.205	C	C	.	.	H	α-helix	trans	-54.2	-47.4	175	-81.8	-176.4	-172	0	0	112.6	L115 R283 S289 I290 L291 V589	L115-E287 VanDerWaalsContact CB-CD 3.47Å; L115-E287 HydrophobicContact CB-CG 3.94Å; L115-E287 WeakPolarHBondContact CB-OE1 3.41Å; L115-E287 HydrophobicContact CD1-CB 3.3Å; L115-E287 HydrophobicContact CD1-CG 3.31Å; L115-E287 HydrophobicContact CD2-CG 4.3Å; L115-E287 HydrophobicContact CG-CB 4.44Å; L115-E287 HydrophobicContact CG-CG 3.96Å; L115-E287 PolarHBondContact N-OE1 3.02Å; R283-E287 HydrophobicContact CG-CG 4.32Å; R283-E287 WeakPolarHBondContact CG-OE1 3.48Å; R283-E287 IonicContact CZ-OE1 3.31Å; R283-E287 IonicContact NE-OE1 3.99Å; R283-E287 PolarHBondContact NE-OE1 3.24Å; R283-E287 IonicContact NH2-OE1 3.93Å; R283-E287 VanDerWaalsContact O-CB 3.3Å; R283-E287 WeakPolarHBondContact O-CB 3.33Å; R283-E287 VanDerWaalsContact O-CG 3.28Å; R283-E287 WeakPolarHBondContact O-CG 3.48Å; R283-E287 PolarHBondContact O-N 2.85Å; E287-S289 VanDerWaalsContact C-N 3.34Å; E287-S289 PolarHBondContact O-N 3.21Å; E287-I290 PolarHBondContact O-N 3.33Å; E287-L291 PolarHBondContact O-N 3.27Å; E287-V589 HydrophobicContact CG-CG2 4.1Å
288	R	91.2	Very high	89.4	Confident	163 Å²	163	42.9 Å²	42.9	62%	0.615	21%	0.213	S	C	*	.	H	α-helix	trans	-64.3	-37.1	174.6	-75.1	172	179	179.1	1	112.4	L284 S285 V286 I290 L291 H292 W296	L284-R288 WeakPolarHBondContact O-CB 3.14Å; L284-R288 VanDerWaalsContact O-CG 3.25Å; L284-R288 WeakPolarHBondContact O-CG 3.36Å; L284-R288 PolarHBondContact O-N 3.42Å; S285-R288 PolarHBondContact O-N 2.83Å; V286-R288 VanDerWaalsContact C-N 3.35Å; V286-R288 PolarHBondContact O-N 3.44Å; R288-I290 VanDerWaalsContact C-N 3.34Å; R288-I290 PolarHBondContact O-N 2.82Å; R288-L291 PolarHBondContact O-N 2.87Å; R288-H292 VanDerWaalsContact O-CB 3.23Å; R288-H292 WeakPolarHBondContact O-CB 3.44Å; R288-H292 PolarHBondContact O-N 2.89Å; R288-W296 HydrophobicContact CB-CZ3 4.35Å; R288-W296 HydrophobicContact CG-CH2 4.43Å; R288-W296 HydrophobicContact CG-CZ3 4.49Å
289	S	93.2	Very high	88.6	Confident	6 Å²	6	46 Å²	46	4%	0.042	23%	0.231	C	C	.	.	H	α-helix	trans	-63.1	-40.6	177.8	78.1	0	0	0	0	112.3	S285 V286 E287 H292 A293 L335	S285-S289 PolarHBondContact O-N 3.03Å; V286-S289 WeakPolarHBondContact O-CB 3.03Å; V286-S289 PolarHBondContact O-N 2.88Å; V286-S289 PolarHBondContact O-OG 3.26Å; E287-S289 VanDerWaalsContact C-N 3.34Å; E287-S289 PolarHBondContact O-N 3.21Å; S289-H292 PolarHBondContact O-N 3.19Å; S289-A293 VanDerWaalsContact O-CB 3.31Å; S289-A293 WeakPolarHBondContact O-CB 3.39Å; S289-A293 PolarHBondContact O-N 3.3Å; S289-L335 WeakPolarHBondContact OG-CD2 3.46Å
290	I	91.5	Very high	87.7	Confident	0 Å²	0	47 Å²	47	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-63.1	-50.7	177	-66.7	162.5	0	0	0	109.7	V286 E287 R288 H292 A293 H294 L331 L570 F571 Y586 V589	V286-I290 HydrophobicContact CG1-CD1 4.13Å; V286-I290 WeakPolarHBondContact O-CG1 3.47Å; V286-I290 PolarHBondContact O-N 2.84Å; E287-I290 PolarHBondContact O-N 3.33Å; R288-I290 VanDerWaalsContact C-N 3.34Å; R288-I290 PolarHBondContact O-N 2.82Å; I290-H292 PolarHBondContact O-N 3.36Å; I290-A293 PolarHBondContact O-N 2.87Å; I290-H294 VanDerWaalsContact O-CB 3.29Å; I290-H294 WeakPolarHBondContact O-CB 3.47Å; I290-H294 PolarHBondContact O-N 2.81Å; I290-H294 PolarHBondContact O-ND1 3.04Å; I290-H294 VanDerWaalsContact O-ND1 3.12Å; I290-L331 HydrophobicContact CG1-CD1 4.09Å; I290-L570 HydrophobicContact CD1-CD2 3.99Å; I290-L570 HydrophobicContact CD1-CG 4.18Å; I290-L570 HydrophobicContact CG1-CD2 4.11Å; I290-F571 HydrophobicContact CB-CE1 4.47Å; I290-F571 HydrophobicContact CD1-CD1 3.69Å; I290-F571 HydrophobicContact CD1-CE1 4.32Å; I290-F571 HydrophobicContact CD1-CG 4.39Å; I290-F571 HydrophobicContact CG1-CD1 3.98Å; I290-F571 HydrophobicContact CG1-CE1 4.1Å; I290-F571 HydrophobicContact CG2-CD1 3.72Å; I290-F571 HydrophobicContact CG2-CD2 4.45Å; I290-F571 HydrophobicContact CG2-CE1 3.57Å; I290-F571 HydrophobicContact CG2-CE2 4.32Å; I290-F571 HydrophobicContact CG2-CG 4.18Å; I290-F571 HydrophobicContact CG2-CZ 3.9Å; I290-Y586 HydrophobicContact CG2-CD1 4.15Å; I290-V589 HydrophobicContact CD1-CG1 4.25Å; I290-V589 HydrophobicContact CD1-CG2 4.01Å
291	L	87	Confident	86.9	Confident	26 Å²	26	47.8 Å²	47.8	14%	0.136	24%	0.239	C	C	.	.	H	α-helix	trans	-65.1	-38.7	179.8	-67.8	177.8	0	0	0	112.2	L115 L119 E287 R288 V295 W296 Y586	L115-L291 HydrophobicContact CD1-CD1 4.21Å; L119-L291 HydrophobicContact CD1-CD1 4.11Å; E287-L291 PolarHBondContact O-N 3.27Å; R288-L291 PolarHBondContact O-N 2.87Å; L291-V295 HydrophobicContact CD2-CG2 4.22Å; L291-V295 WeakPolarHBondContact O-CA 3.33Å; L291-V295 VanDerWaalsContact O-CB 3.27Å; L291-V295 WeakPolarHBondContact O-CB 3.3Å; L291-V295 PolarHBondContact O-N 3.09Å; L291-W296 HydrophobicContact CB-CD2 4.01Å; L291-W296 HydrophobicContact CB-CE3 4.06Å; L291-W296 HydrophobicContact CB-CH2 3.6Å; L291-W296 HydrophobicContact CB-CZ2 3.54Å; L291-W296 HydrophobicContact CB-CZ3 3.85Å; L291-W296 HydrophobicContact CD1-CH2 3.72Å; L291-W296 HydrophobicContact CD1-CZ2 3.52Å; L291-W296 HydrophobicContact CG-CH2 4.32Å; L291-W296 HydrophobicContact CG-CZ2 4.16Å; L291-W296 PolarHBondContact O-N 3Å; L291-Y586 HydrophobicContact CD2-CD2 4.23Å; L291-Y586 HydrophobicContact CD2-CG 4.49Å
292	H	88.8	Confident	85.9	Confident	64 Å²	64	51 Å²	51	30%	0.296	25%	0.245	S	C	.	.	I	π-helix	trans	-58.8	-54.7	174.5	176.5	-86.8	0	0	0	111	R288 S289 I290 H294 W296 Q297 N334	R288-H292 VanDerWaalsContact O-CB 3.23Å; R288-H292 WeakPolarHBondContact O-CB 3.44Å; R288-H292 PolarHBondContact O-N 2.89Å; S289-H292 PolarHBondContact O-N 3.19Å; I290-H292 PolarHBondContact O-N 3.36Å; H292-H294 VanDerWaalsContact C-N 3.35Å; H292-H294 PolarHBondContact O-N 2.98Å; H292-W296 HydrophobicContact CB-CE3 3.92Å; H292-W296 HydrophobicContact CB-CZ3 4.49Å; H292-W296 PolarHBondContact O-N 3.36Å; H292-Q297 VanDerWaalsContact CE1-CD 3.46Å; H292-Q297 PolarHBondContact CE1-NE2 2.92Å; H292-Q297 WeakPolarHBondContact O-CG 3.13Å; H292-Q297 PolarHBondContact O-N 3.35Å; H292-N334 PolarHBondContact ND1-ND2 2.92Å
293	A	89.6	Confident	84.8	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.249	C	C	.	.	I	π-helix	trans	-63	-38.9	-177.4	0	0	0	0	0	113.2	S289 I290 I322 S327 L331	S289-A293 VanDerWaalsContact O-CB 3.31Å; S289-A293 WeakPolarHBondContact O-CB 3.39Å; S289-A293 PolarHBondContact O-N 3.3Å; I290-A293 PolarHBondContact O-N 2.87Å; A293-I322 WeakPolarHBondContact O-CD1 3.5Å; A293-S327 WeakPolarHBondContact CB-O 3.35Å; A293-S327 PolarHBondContact O-OG 3.43Å; A293-L331 HydrophobicContact CB-CB 3.8Å; A293-L331 HydrophobicContact CB-CD1 4.36Å
294	H	84.9	Confident	83.2	Confident	7 Å²	7	49.5 Å²	49.5	3%	0.032	24%	0.244	C	C	.	.	I	π-helix	trans	-97.9	-23.6	-172.4	-75.6	86.8	0	0	0	115.1	R124 I290 H292 S327 G529 F571 Y586	R124-H294 PolarHBondContact NH2-O 3.43Å; I290-H294 VanDerWaalsContact O-CB 3.29Å; I290-H294 WeakPolarHBondContact O-CB 3.47Å; I290-H294 PolarHBondContact O-N 2.81Å; I290-H294 PolarHBondContact O-ND1 3.04Å; I290-H294 VanDerWaalsContact O-ND1 3.12Å; H292-H294 VanDerWaalsContact C-N 3.35Å; H292-H294 PolarHBondContact O-N 2.98Å; H294-S327 PolarHBondContact CD2-OG 2.6Å; H294-S327 PolarHBondContact CE1-OG 3.35Å; H294-S327 VanDerWaalsContact CG-OG 3.29Å; H294-S327 PolarHBondContact NE2-OG 2.84Å; H294-G529 PolarHBondContact CE1-O 2.83Å; H294-G529 PolarHBondContact NE2-O 3.38Å; H294-F571 AromaticContact CE1-CE1 3.94Å; H294-F571 AromaticContact CE1-CZ 3.46Å; H294-F571 VanDerWaalsContact CE1-CZ 3.46Å; H294-F571 WeakPolarHBondContact CE1-CZ 3.32Å; H294-F571 AromaticContact ND1-CZ 3.95Å; H294-F571 AromaticContact NE2-CZ 3.69Å; H294-Y586 HydrophobicContact CB-CE1 3.62Å; H294-Y586 WeakPolarHBondContact CB-OH 3.41Å; H294-Y586 AromaticContact CD2-CE1 3.9Å; H294-Y586 AromaticContact CG-CE1 3.72Å
295	V	79.6	Confident	81.7	Confident	21 Å²	21	52.2 Å²	52.2	13%	0.127	25%	0.249	C	C	.	.	I	π-helix	trans	-126.6	-49.9	-168.9	-173.5	0	0	0	0	111.8	R124 L291 Y586	R124-V295 HydrophobicContact CG-CG1 4.1Å; R124-V295 WeakPolarHBondContact CG-O 3.14Å; R124-V295 PolarHBondContact NE-O 2.87Å; L291-V295 HydrophobicContact CD2-CG2 4.22Å; L291-V295 WeakPolarHBondContact O-CA 3.33Å; L291-V295 VanDerWaalsContact O-CB 3.27Å; L291-V295 WeakPolarHBondContact O-CB 3.3Å; L291-V295 PolarHBondContact O-N 3.09Å; V295-Y586 HydrophobicContact CG2-CD2 4.16Å; V295-Y586 HydrophobicContact CG2-CE2 3.45Å; V295-Y586 VanDerWaalsContact CG2-CE2 3.45Å
296	W	78.4	Confident	80.1	Confident	118 Å²	118	52.8 Å²	52.8	45%	0.447	25%	0.245	S	C	.	.	I	π-helix	trans	-90.1	-16.6	-167.6	-51.7	-33.5	0	0	0	114.9	L119 R288 L291 H292	L119-W296 HydrophobicContact CD1-CZ2 4.07Å; R288-W296 HydrophobicContact CB-CZ3 4.35Å; R288-W296 HydrophobicContact CG-CH2 4.43Å; R288-W296 HydrophobicContact CG-CZ3 4.49Å; L291-W296 HydrophobicContact CB-CD2 4.01Å; L291-W296 HydrophobicContact CB-CE3 4.06Å; L291-W296 HydrophobicContact CB-CH2 3.6Å; L291-W296 HydrophobicContact CB-CZ2 3.54Å; L291-W296 HydrophobicContact CB-CZ3 3.85Å; L291-W296 HydrophobicContact CD1-CH2 3.72Å; L291-W296 HydrophobicContact CD1-CZ2 3.52Å; L291-W296 HydrophobicContact CG-CH2 4.32Å; L291-W296 HydrophobicContact CG-CZ2 4.16Å; L291-W296 PolarHBondContact O-N 3Å; H292-W296 HydrophobicContact CB-CE3 3.92Å; H292-W296 HydrophobicContact CB-CZ3 4.49Å; H292-W296 PolarHBondContact O-N 3.36Å
297	Q	82.1	Confident	78.2	Confident	38 Å²	38	57.4 Å²	57.4	18%	0.178	27%	0.265	C	S	.	.			trans	-61	141.3	177	-91	-67.9	27.6	0	0	111.9	H292 I322 Y330	H292-Q297 VanDerWaalsContact CE1-CD 3.46Å; H292-Q297 PolarHBondContact CE1-NE2 2.92Å; H292-Q297 WeakPolarHBondContact O-CG 3.13Å; H292-Q297 PolarHBondContact O-N 3.35Å; Q297-I322 HydrophobicContact CB-CD1 3.51Å; Q297-I322 HydrophobicContact CB-CG1 4.14Å; Q297-Y330 HydrophobicContact CB-CD2 4.23Å; Q297-Y330 HydrophobicContact CB-CE2 4.27Å; Q297-Y330 HydrophobicContact CG-CD2 3.73Å; Q297-Y330 HydrophobicContact CG-CE2 4.07Å; Q297-Y330 HydrophobicContact CG-CG 4.01Å
298	T	75.6	Confident	76.5	Confident	114 Å²	114	59.6 Å²	59.6	70%	0.699	28%	0.276	S	S	*	.	S	Bend	trans	-84.3	-14.7	-172.6	50.7	0	0	0	0	113.7	E300	T298-E300 PolarHBondContact O-N 3.15Å
299	D	78.4	Confident	74.6	Confident	86 Å²	86	59.1 Å²	59.1	46%	0.46	28%	0.28	S	S	.	.			trans	-77.3	69.3	-176.4	-66.9	-7.8	0	0	0	110.6	Y330	D299-Y330 WeakPolarHBondContact CB-OH 3.24Å; D299-Y330 PolarHBondContact OD2-OH 3.47Å
300	E	74	Confident	72.6	Confident	37 Å²	37	66.6 Å²	66.6	17%	0.173	31%	0.314	C	S	.	.			trans	-81.1	127.8	174.2	-64.5	-166.1	153	0	0	110.5	R124 T298	R124-E300 WeakPolarHBondContact CD-OE1 3.3Å; R124-E300 IonicContact NE-OE1 3.42Å; T298-E300 PolarHBondContact O-N 3.15Å
301	T	75	Confident	70.8	Confident	64 Å²	64	68.3 Å²	68.3	39%	0.393	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	163.5	166.2	63.8	0	0	0	0	109.4	L303 Y320 G321	T301-L303 PolarHBondContact O-N 2.78Å; T301-Y320 CarbonylContact O-C 3.51Å; T301-Y320 WeakPolarHBondContact O-CA 3.22Å; T301-G321 PolarHBondContact N-O 3.31Å; T301-G321 PolarHBondContact O-N 2.84Å; T301-G321 PolarHBondContact OG1-O 3.43Å
302	K	73	Confident	68.9	Low	134 Å²	134	73.2 Å²	73.2	58%	0.583	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.9	102.5	169.9	-171.7	175.8	-179	-179.4	0	107.8	P318 Y320	K302-P318 VanDerWaalsContact CE-CG 3.48Å; K302-P318 HydrophobicContact CG-CB 4.03Å; K302-Y320 HydrophobicContact CB-CD1 4.34Å; K302-Y320 HydrophobicContact CB-CE1 3.93Å
303	L	70	Confident	66.9	Low	14 Å²	14	73.7 Å²	73.7	7%	0.073	36%	0.36	C	S	.	.			trans	-67.7	148	172.6	-59.7	179.2	0	0	0	108.2	T301 P318 E319 M581	T301-L303 PolarHBondContact O-N 2.78Å; L303-P318 VanDerWaalsContact O-CB 3.26Å; L303-P318 WeakPolarHBondContact O-CB 3.47Å; L303-E319 WeakPolarHBondContact CA-O 3.2Å; L303-E319 WeakPolarHBondContact CB-O 3.42Å; L303-E319 PolarHBondContact N-O 3.18Å; L303-M581 HydrophobicContact CD1-CE 4.36Å
304	P	60.7	Low	65.2	Low	24 Å²	24	76.6 Å²	76.6	16%	0.156	37%	0.371	C	S	.	.			trans	-69.2	174.4	-179.8	38.8	-44.7	0	0	0	110.3	Y477	P304-Y477 WeakPolarHBondContact CB-O 3.02Å; P304-Y477 VanDerWaalsContact CG-C 3.49Å; P304-Y477 HydrophobicContact CG-CD1 3.5Å; P304-Y477 HydrophobicContact CG-CG 3.76Å; P304-Y477 WeakPolarHBondContact CG-O 3.36Å
305	R	62.2	Low	63.5	Low	132 Å²	132	83.4 Å²	83.4	50%	0.498	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-60.5	154.4	167.8	-61.6	-166.4	-177.5	-165.7	3.3	109.1	W314 H316 P318	R305-W314 HydrophobicContact CB-CE3 3.35Å; R305-W314 HydrophobicContact CB-CZ3 3.68Å; R305-W314 WeakPolarHBondContact O-CZ3 3.27Å; R305-H316 VanDerWaalsContact CD-O 3.29Å; R305-H316 WeakPolarHBondContact CD-O 3.45Å; R305-H316 WeakPolarHBondContact CG-O 3.46Å; R305-P318 HydrophobicContact CG-CB 4.49Å
306	R	60.8	Low	62.5	Low	50 Å²	50	84 Å²	84	19%	0.189	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-98.1	130.8	177.4	-72.9	-179.4	-85	168.1	-4.3	109	E319 M581	R306-E319 IonicContact CZ-OE1 3.23Å; R306-E319 IonicContact NH2-OE1 3.03Å; R306-E319 PolarHBondContact NH2-OE1 3.28Å; R306-E319 IonicContact NH2-OE2 2.7Å; R306-M581 VanDerWaalsContact CZ-CG 3.45Å; R306-M581 PolarHBondContact NH1-SD 3.43Å
307	F	54	Low	61.6	Low	97 Å²	97	86.8 Å²	86.8	43%	0.425	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-67.8	137	163.8	-166.7	-125.8	0	0	0	109	Q309 W314	F307-Q309 HydrophobicContact CD1-CG 4.04Å; F307-Q309 HydrophobicContact CE1-CB 4.38Å; F307-Q309 HydrophobicContact CE1-CG 3.95Å; F307-W314 HydrophobicContact CB-CH2 3.7Å; F307-W314 HydrophobicContact CB-CZ2 3.3Å; F307-W314 AromaticContact CD2-CE2 3.56Å; F307-W314 AromaticContact CD2-CZ2 3.49Å; F307-W314 HydrophobicContact CD2-CZ2 3.49Å; F307-W314 VanDerWaalsContact CD2-CZ2 3.49Å; F307-W314 AromaticContact CD2-NE1 3.51Å; F307-W314 AromaticContact CG-CZ2 3.74Å; F307-W314 HydrophobicContact CG-CZ2 3.74Å
308	H	55.6	Low	60.7	Low	57 Å²	57	87 Å²	87	26%	0.264	42%	0.422	S	S	.	.			trans	-115.2	107.7	167.3	-172.5	-4.3	0	0	0	107.7	Q310 S311 N312	H308-Q310 PolarHBondContact CE1-OE1 3.48Å; H308-Q310 PolarHBondContact ND1-N 2.9Å; H308-Q310 PolarHBondContact O-N 2.89Å; H308-S311 PolarHBondContact O-N 3.37Å; H308-N312 PolarHBondContact O-N 2.83Å
309	Q	51.2	Low	60.3	Low	153 Å²	153	83.2 Å²	83.2	72%	0.715	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	-28.2	-178.1	-77.7	176	-21	0	0	113.8	F307	F307-Q309 HydrophobicContact CD1-CG 4.04Å; F307-Q309 HydrophobicContact CE1-CB 4.38Å; F307-Q309 HydrophobicContact CE1-CG 3.95Å
310	Q	53	Low	60.1	Low	162 Å²	162	83.8 Å²	83.8	76%	0.757	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-15.8	-178.4	-61.7	-178.2	-31.1	0	0	113.7	H308	H308-Q310 PolarHBondContact CE1-OE1 3.48Å; H308-Q310 PolarHBondContact ND1-N 2.9Å; H308-Q310 PolarHBondContact O-N 2.89Å
311	S	51.8	Low	60.1	Low	36 Å²	36	82 Å²	82	25%	0.252	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111	-2.2	-173.5	81.7	0	0	0	0	115	H308 V313	H308-S311 PolarHBondContact O-N 3.37Å; S311-V313 WeakPolarHBondContact O-CB 3.35Å; S311-V313 VanDerWaalsContact O-CG2 3.31Å; S311-V313 WeakPolarHBondContact O-CG2 3.34Å; S311-V313 PolarHBondContact O-N 3.26Å; S311-V313 PolarHBondContact OG-O 3.18Å
312	N	48.9	Very low	60.3	Low	130 Å²	130	79.3 Å²	79.3	70%	0.695	37%	0.368	S	S	*	.			trans	43.1	19.7	-178.3	-73.3	0.8	0	0	0	115.6	H308	H308-N312 PolarHBondContact O-N 2.83Å
313	V	46.7	Very low	60.7	Low	74 Å²	74	75 Å²	75	45%	0.448	35%	0.35	S	S	.	.	S	Bend	trans	-144.2	133.6	-171.8	-179.6	0	0	0	0	109	S311 K315	S311-V313 WeakPolarHBondContact O-CB 3.35Å; S311-V313 VanDerWaalsContact O-CG2 3.31Å; S311-V313 WeakPolarHBondContact O-CG2 3.34Å; S311-V313 PolarHBondContact O-N 3.26Å; S311-V313 PolarHBondContact OG-O 3.18Å; V313-K315 VanDerWaalsContact C-N 3.27Å; V313-K315 HydrophobicContact CB-CG 4Å; V313-K315 HydrophobicContact CG1-CD 4.45Å; V313-K315 HydrophobicContact CG1-CG 3.62Å; V313-K315 PolarHBondContact O-N 3.44Å
314	W	52.2	Low	61.2	Low	61 Å²	61	75.3 Å²	75.3	23%	0.231	35%	0.352	C	S	.	.			trans	-72.9	71.8	176.4	-72.8	83.5	0	0	0	112	R305 F307 P480	R305-W314 HydrophobicContact CB-CE3 3.35Å; R305-W314 HydrophobicContact CB-CZ3 3.68Å; R305-W314 WeakPolarHBondContact O-CZ3 3.27Å; F307-W314 HydrophobicContact CB-CH2 3.7Å; F307-W314 HydrophobicContact CB-CZ2 3.3Å; F307-W314 AromaticContact CD2-CE2 3.56Å; F307-W314 AromaticContact CD2-CZ2 3.49Å; F307-W314 HydrophobicContact CD2-CZ2 3.49Å; F307-W314 VanDerWaalsContact CD2-CZ2 3.49Å; F307-W314 AromaticContact CD2-NE1 3.51Å; F307-W314 AromaticContact CG-CZ2 3.74Å; F307-W314 HydrophobicContact CG-CZ2 3.74Å; W314-P480 HydrophobicContact CD2-CB 3.7Å; W314-P480 HydrophobicContact CE3-CB 4.34Å; W314-P480 HydrophobicContact CG-CB 4.12Å; W314-P480 VanDerWaalsContact CH2-CA 3.46Å; W314-P480 HydrophobicContact CH2-CB 4.18Å; W314-P480 HydrophobicContact CZ2-CB 3.56Å; W314-P480 WeakPolarHBondContact CZ2-O 3.39Å; W314-P480 HydrophobicContact CZ3-CB 4.48Å; W314-P480 PolarHBondContact NE1-O 2.77Å; W314-P480 VanDerWaalsContact NE1-O 3.14Å
315	K	50.3	Low	62.3	Low	149 Å²	149	76.2 Å²	76.2	65%	0.648	35%	0.354	S	S	*	.			trans	-85.1	-8.9	-171.7	-71.3	-168.7	176.4	-178.7	0	115.5	V313	V313-K315 VanDerWaalsContact C-N 3.27Å; V313-K315 HydrophobicContact CB-CG 4Å; V313-K315 HydrophobicContact CG1-CD 4.45Å; V313-K315 HydrophobicContact CG1-CG 3.62Å; V313-K315 PolarHBondContact O-N 3.44Å
316	H	57.7	Low	63.5	Low	33 Å²	33	72.9 Å²	72.9	15%	0.153	35%	0.345	C	S	.	.	S	Bend	trans	-96.9	130.7	-171.9	-61.4	-55.4	0	0	0	112.4	R305	R305-H316 VanDerWaalsContact CD-O 3.29Å; R305-H316 WeakPolarHBondContact CD-O 3.45Å; R305-H316 WeakPolarHBondContact CG-O 3.46Å
317	K	59.7	Low	64.8	Low	177 Å²	177	70.7 Å²	70.7	77%	0.77	34%	0.337	S	S	*	.	P	Polyproline II helix	trans	-57.9	138.7	167.1	-73.3	-173.8	176.6	-177.2	0	108.2	E319	K317-E319 PolarHBondContact O-N 3.04Å
318	P	64.3	Low	66.6	Low	44 Å²	44	66.1 Å²	66.1	29%	0.286	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-56.8	137.8	171.6	25.6	-32.6	0	0	0	108.7	K302 L303 R305	K302-P318 VanDerWaalsContact CE-CG 3.48Å; K302-P318 HydrophobicContact CG-CB 4.03Å; L303-P318 VanDerWaalsContact O-CB 3.26Å; L303-P318 WeakPolarHBondContact O-CB 3.47Å; R305-P318 HydrophobicContact CG-CB 4.49Å
319	E	67.6	Low	68.4	Low	34 Å²	34	65.7 Å²	65.7	16%	0.159	31%	0.313	C	S	.	.			trans	-115	148.8	-178.2	-65.5	-175.3	-154.4	0	0	109.5	L303 R306 K317 M580 M581	L303-E319 WeakPolarHBondContact CA-O 3.2Å; L303-E319 WeakPolarHBondContact CB-O 3.42Å; L303-E319 PolarHBondContact N-O 3.18Å; R306-E319 IonicContact CZ-OE1 3.23Å; R306-E319 IonicContact NH2-OE1 3.03Å; R306-E319 PolarHBondContact NH2-OE1 3.28Å; R306-E319 IonicContact NH2-OE2 2.7Å; K317-E319 PolarHBondContact O-N 3.04Å; E319-M580 VanDerWaalsContact OE1-CA 3.3Å; E319-M580 WeakPolarHBondContact OE1-CA 3.38Å; E319-M580 PolarHBondContact OE1-N 2.68Å; E319-M580 VanDerWaalsContact OE1-N 3.1Å; E319-M580 WeakPolarHBondContact OE2-CA 3.31Å; E319-M581 PolarHBondContact OE1-N 2.89Å; E319-M581 WeakPolarHBondContact OE2-CB 3.34Å; E319-M581 PolarHBondContact OE2-N 3.38Å
320	Y	72.3	Confident	70.3	Confident	97 Å²	97	59.9 Å²	59.9	38%	0.38	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	137.5	170.9	-74.7	-86.1	0	0	0	110.9	H127 T301 K302	H127-Y320 HydrophobicContact CB-CD2 4.48Å; H127-Y320 HydrophobicContact CB-CG 4.49Å; T301-Y320 CarbonylContact O-C 3.51Å; T301-Y320 WeakPolarHBondContact O-CA 3.22Å; K302-Y320 HydrophobicContact CB-CD1 4.34Å; K302-Y320 HydrophobicContact CB-CE1 3.93Å
321	G	75.7	Confident	72.3	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.9	173.8	175.7	0	0	0	0	0	113.4	T301 H323	T301-G321 PolarHBondContact N-O 3.31Å; T301-G321 PolarHBondContact O-N 2.84Å; T301-G321 PolarHBondContact OG1-O 3.43Å; G321-H323 PolarHBondContact O-N 3.41Å
322	I	79	Confident	74.3	Confident	8 Å²	8	50.5 Å²	50.5	4%	0.041	24%	0.237	C	C	.	.			trans	-72.5	126.5	-179.5	-54.7	155.2	0	0	0	109.4	A293 Q297 Q326 Y330	A293-I322 WeakPolarHBondContact O-CD1 3.5Å; Q297-I322 HydrophobicContact CB-CD1 3.51Å; Q297-I322 HydrophobicContact CB-CG1 4.14Å; I322-Q326 HydrophobicContact CG2-CB 4.19Å; I322-Y330 HydrophobicContact CG2-CD2 4.25Å; I322-Y330 HydrophobicContact CG2-CE2 3.92Å
323	H	80.6	Confident	76.4	Confident	44 Å²	44	45.8 Å²	45.8	20%	0.204	21%	0.21	C	C	.	.			trans	-56.4	135.1	175	-169.1	-94.7	0	0	0	110.3	G321 E325 Q326 S327 Y477	G321-H323 PolarHBondContact O-N 3.41Å; H323-E325 IonicContact CE1-OE2 2.87Å; H323-E325 PolarHBondContact ND1-N 3.47Å; H323-E325 IonicContact ND1-OE2 3.78Å; H323-E325 PolarHBondContact O-N 2.83Å; H323-Q326 HydrophobicContact CB-CB 4.29Å; H323-Q326 HydrophobicContact CB-CG 4.09Å; H323-Q326 WeakPolarHBondContact O-CA 3.48Å; H323-Q326 WeakPolarHBondContact O-CB 3.25Å; H323-Q326 PolarHBondContact O-N 3.25Å; H323-S327 PolarHBondContact O-N 3.1Å; H323-Y477 AromaticContact CD2-CD2 3.79Å; H323-Y477 AromaticContact CE1-CD2 3.79Å; H323-Y477 AromaticContact CE1-CE2 3.65Å; H323-Y477 AromaticContact NE2-CD2 3.12Å; H323-Y477 WeakPolarHBondContact NE2-CD2 3.38Å; H323-Y477 AromaticContact NE2-CE2 3.46Å; H323-Y477 WeakPolarHBondContact NE2-CE2 3.5Å
324	P	80.7	Confident	78.7	Confident	19 Å²	19	43 Å²	43	12%	0.123	19%	0.193	C	C	.	.	H	α-helix	trans	-58	-40.8	-173.9	-34.3	44.5	0	0	0	114.9	Q326 S327 T328 N472 Y477	P324-Q326 VanDerWaalsContact C-N 3.31Å; P324-Q326 PolarHBondContact O-N 3.44Å; P324-S327 WeakPolarHBondContact O-CB 3.23Å; P324-S327 PolarHBondContact O-N 2.96Å; P324-T328 PolarHBondContact O-N 2.96Å; P324-T328 PolarHBondContact O-OG1 3.17Å; P324-N472 WeakPolarHBondContact CB-OD1 3.41Å; P324-Y477 HydrophobicContact CB-CE2 4.37Å; P324-Y477 WeakPolarHBondContact CB-OH 3.37Å; P324-Y477 HydrophobicContact CG-CE1 4Å; P324-Y477 HydrophobicContact CG-CE2 4.01Å; P324-Y477 VanDerWaalsContact CG-CZ 3.42Å; P324-Y477 WeakPolarHBondContact CG-OH 3.32Å
325	E	84.2	Confident	80.8	Confident	44 Å²	44	40.1 Å²	40.1	21%	0.206	18%	0.182	C	C	.	.	H	α-helix	trans	-57.7	-43.2	172.6	-63.9	176.2	169.7	0	0	112	H323 T328 R329	H323-E325 IonicContact CE1-OE2 2.87Å; H323-E325 PolarHBondContact ND1-N 3.47Å; H323-E325 IonicContact ND1-OE2 3.78Å; H323-E325 PolarHBondContact O-N 2.83Å; E325-T328 PolarHBondContact O-N 2.84Å; E325-R329 VanDerWaalsContact O-CG 3.27Å; E325-R329 WeakPolarHBondContact O-CG 3.22Å; E325-R329 PolarHBondContact O-N 3.48Å
326	Q	87.2	Confident	82.8	Confident	62 Å²	62	33.3 Å²	33.3	29%	0.29	15%	0.153	S	C	.	.	H	α-helix	trans	-67	-41.4	177.5	-63.4	-59.4	-23.5	0	0	111.6	I322 H323 P324 T328 R329 Y330	I322-Q326 HydrophobicContact CG2-CB 4.19Å; H323-Q326 HydrophobicContact CB-CB 4.29Å; H323-Q326 HydrophobicContact CB-CG 4.09Å; H323-Q326 WeakPolarHBondContact O-CA 3.48Å; H323-Q326 WeakPolarHBondContact O-CB 3.25Å; H323-Q326 PolarHBondContact O-N 3.25Å; P324-Q326 VanDerWaalsContact C-N 3.31Å; P324-Q326 PolarHBondContact O-N 3.44Å; Q326-T328 VanDerWaalsContact C-N 3.27Å; Q326-T328 PolarHBondContact O-N 3.2Å; Q326-R329 WeakPolarHBondContact O-CB 3.35Å; Q326-R329 PolarHBondContact O-N 3.41Å; Q326-Y330 HydrophobicContact CB-CD2 4.47Å; Q326-Y330 HydrophobicContact CB-CE2 3.78Å; Q326-Y330 WeakPolarHBondContact O-CD2 3.04Å; Q326-Y330 WeakPolarHBondContact O-CE2 3.13Å; Q326-Y330 VanDerWaalsContact O-CG 3.27Å; Q326-Y330 PolarHBondContact O-N 3.16Å
327	S	88.9	Confident	84.5	Confident	4 Å²	4	38.5 Å²	38.5	3%	0.028	17%	0.171	C	C	.	.	H	α-helix	trans	-55	-45.5	172.8	-174.9	0	0	0	0	110.9	A293 H294 H323 P324 L331	A293-S327 WeakPolarHBondContact CB-O 3.35Å; A293-S327 PolarHBondContact O-OG 3.43Å; H294-S327 PolarHBondContact CD2-OG 2.6Å; H294-S327 PolarHBondContact CE1-OG 3.35Å; H294-S327 VanDerWaalsContact CG-OG 3.29Å; H294-S327 PolarHBondContact NE2-OG 2.84Å; H323-S327 PolarHBondContact O-N 3.1Å; P324-S327 WeakPolarHBondContact O-CB 3.23Å; P324-S327 PolarHBondContact O-N 2.96Å; S327-L331 WeakPolarHBondContact O-CB 3.46Å; S327-L331 PolarHBondContact O-N 2.86Å
328	T	91.6	Very high	86.2	Confident	1 Å²	1	31 Å²	31	1%	0.006	14%	0.139	C	C	.	.	H	α-helix	trans	-65.4	-43.4	176.7	-52.7	0	0	0	0	112.1	P324 E325 Q326 Y330 L331 F332 S469 S527 D528 G529	P324-T328 PolarHBondContact O-N 2.96Å; P324-T328 PolarHBondContact O-OG1 3.17Å; E325-T328 PolarHBondContact O-N 2.84Å; Q326-T328 VanDerWaalsContact C-N 3.27Å; Q326-T328 PolarHBondContact O-N 3.2Å; T328-Y330 PolarHBondContact O-N 3.49Å; T328-L331 WeakPolarHBondContact O-CB 3.18Å; T328-L331 PolarHBondContact O-N 3.44Å; T328-L331 VanDerWaalsContact O-N 3.15Å; T328-F332 HydrophobicContact CG2-CD2 3.91Å; T328-F332 HydrophobicContact CG2-CE2 3.68Å; T328-F332 HydrophobicContact CG2-CZ 4.37Å; T328-F332 PolarHBondContact O-N 3.36Å; T328-S469 VanDerWaalsContact CG2-CB 3.49Å; T328-S527 WeakPolarHBondContact CG2-O 3.43Å; T328-D528 VanDerWaalsContact OG1-C 3.22Å; T328-D528 PolarHBondContact OG1-O 2.97Å; T328-G529 WeakPolarHBondContact OG1-CA 3.33Å; T328-G529 PolarHBondContact OG1-N 3.26Å
329	R	91.9	Very high	87.7	Confident	47 Å²	47	29 Å²	29	18%	0.177	13%	0.126	C	C	.	.	H	α-helix	trans	-56.8	-50.1	174.8	-72.2	169.9	177.6	-151.5	-4.8	112	E325 Q326 L331 F332 H333 D394	E325-R329 VanDerWaalsContact O-CG 3.27Å; E325-R329 WeakPolarHBondContact O-CG 3.22Å; E325-R329 PolarHBondContact O-N 3.48Å; Q326-R329 WeakPolarHBondContact O-CB 3.35Å; Q326-R329 PolarHBondContact O-N 3.41Å; R329-L331 VanDerWaalsContact C-N 3.28Å; R329-L331 PolarHBondContact O-N 2.95Å; R329-F332 PolarHBondContact O-N 2.99Å; R329-H333 PolarHBondContact O-CD2 2.96Å; R329-H333 VanDerWaalsContact O-CG 3.24Å; R329-H333 PolarHBondContact O-N 3.12Å; R329-D394 HydrophobicContact CG-CB 3.98Å; R329-D394 IonicContact CZ-OD1 3.81Å; R329-D394 IonicContact NE-OD1 3.69Å; R329-D394 PolarHBondContact NE-OD1 3.41Å; R329-D394 IonicContact NE-OD2 3.66Å; R329-D394 IonicContact NH2-OD1 3.74Å; R329-D394 PolarHBondContact NH2-OD1 2.83Å
330	Y	92.5	Very high	88.8	Confident	32 Å²	32	31.5 Å²	31.5	13%	0.125	14%	0.138	C	C	.	.	H	α-helix	trans	-62.6	-37.9	176.5	-57.5	-49.9	0	0	0	111.8	Q297 D299 I322 Q326 T328 N334	Q297-Y330 HydrophobicContact CB-CD2 4.23Å; Q297-Y330 HydrophobicContact CB-CE2 4.27Å; Q297-Y330 HydrophobicContact CG-CD2 3.73Å; Q297-Y330 HydrophobicContact CG-CE2 4.07Å; Q297-Y330 HydrophobicContact CG-CG 4.01Å; D299-Y330 WeakPolarHBondContact CB-OH 3.24Å; D299-Y330 PolarHBondContact OD2-OH 3.47Å; I322-Y330 HydrophobicContact CG2-CD2 4.25Å; I322-Y330 HydrophobicContact CG2-CE2 3.92Å; Q326-Y330 HydrophobicContact CB-CD2 4.47Å; Q326-Y330 HydrophobicContact CB-CE2 3.78Å; Q326-Y330 WeakPolarHBondContact O-CD2 3.04Å; Q326-Y330 WeakPolarHBondContact O-CE2 3.13Å; Q326-Y330 VanDerWaalsContact O-CG 3.27Å; Q326-Y330 PolarHBondContact O-N 3.16Å; T328-Y330 PolarHBondContact O-N 3.49Å; Y330-N334 WeakPolarHBondContact O-CB 3.14Å; Y330-N334 VanDerWaalsContact O-CG 3.28Å; Y330-N334 PolarHBondContact O-N 3.29Å; Y330-N334 PolarHBondContact O-ND2 3.47Å
331	L	94.4	Very high	89.7	Confident	1 Å²	1	33.5 Å²	33.5	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-63.4	-51.2	176.9	-176.9	60.8	0	0	0	110.6	I290 A293 S327 T328 R329 H333 N334 L335 F532 L570	I290-L331 HydrophobicContact CG1-CD1 4.09Å; A293-L331 HydrophobicContact CB-CB 3.8Å; A293-L331 HydrophobicContact CB-CD1 4.36Å; S327-L331 WeakPolarHBondContact O-CB 3.46Å; S327-L331 PolarHBondContact O-N 2.86Å; T328-L331 WeakPolarHBondContact O-CB 3.18Å; T328-L331 PolarHBondContact O-N 3.44Å; T328-L331 VanDerWaalsContact O-N 3.15Å; R329-L331 VanDerWaalsContact C-N 3.28Å; R329-L331 PolarHBondContact O-N 2.95Å; L331-H333 VanDerWaalsContact C-N 3.33Å; L331-H333 PolarHBondContact O-N 2.83Å; L331-N334 PolarHBondContact O-N 3.24Å; L331-N334 VanDerWaalsContact O-N 3.11Å; L331-L335 HydrophobicContact CD1-CD1 4Å; L331-L335 HydrophobicContact CD1-CD2 4.2Å; L331-L335 HydrophobicContact CD1-CG 3.89Å; L331-L335 HydrophobicContact CD2-CD1 4.43Å; L331-L335 HydrophobicContact CG-CD1 3.84Å; L331-L335 HydrophobicContact CG-CG 4.12Å; L331-L335 VanDerWaalsContact O-CG 3.32Å; L331-L335 WeakPolarHBondContact O-CG 3.31Å; L331-L335 PolarHBondContact O-N 3.15Å; L331-F532 HydrophobicContact CD2-CE2 4.15Å; L331-F532 HydrophobicContact CD2-CZ 3.8Å; L331-F532 HydrophobicContact CG-CZ 4.41Å; L331-L570 HydrophobicContact CD2-CD2 4.28Å
332	F	94.1	Very high	90.6	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-54.9	-48.4	176.1	-81.4	-44	0	0	0	111.7	T328 R329 N334 L335 F336 N467 V525 F532	T328-F332 HydrophobicContact CG2-CD2 3.91Å; T328-F332 HydrophobicContact CG2-CE2 3.68Å; T328-F332 HydrophobicContact CG2-CZ 4.37Å; T328-F332 PolarHBondContact O-N 3.36Å; R329-F332 PolarHBondContact O-N 2.99Å; F332-N334 VanDerWaalsContact C-N 3.28Å; F332-N334 PolarHBondContact O-N 3.05Å; F332-L335 PolarHBondContact O-N 3.06Å; F332-F336 HydrophobicContact CD1-CD2 4.49Å; F332-F336 HydrophobicContact CD1-CE2 4.12Å; F332-F336 WeakPolarHBondContact O-CD2 3.27Å; F332-F336 PolarHBondContact O-N 3.32Å; F332-N467 HydrophobicContact CD2-CB 4.38Å; F332-N467 HydrophobicContact CE2-CB 4.29Å; F332-N467 HydrophobicContact CZ-CB 4.35Å; F332-V525 HydrophobicContact CE1-CB 4.38Å; F332-V525 HydrophobicContact CE1-CG1 3.93Å; F332-V525 HydrophobicContact CZ-CG1 4.36Å; F332-V525 WeakPolarHBondContact CZ-O 2.93Å; F332-F532 HydrophobicContact CD1-CE1 4.2Å; F332-F532 HydrophobicContact CE1-CD1 4.22Å; F332-F532 AromaticContact CE1-CE1 3.66Å; F332-F532 HydrophobicContact CE1-CE1 3.66Å; F332-F532 HydrophobicContact CZ-CE1 4.49Å
333	H	92.7	Very high	91.2	Very high	30 Å²	30	34.9 Å²	34.9	14%	0.139	16%	0.156	C	C	.	.	H	α-helix	trans	-56.1	-43.4	177.5	-68.7	170.3	0	0	0	112.5	R329 L331 R337 R370	R329-H333 PolarHBondContact O-CD2 2.96Å; R329-H333 VanDerWaalsContact O-CG 3.24Å; R329-H333 PolarHBondContact O-N 3.12Å; L331-H333 VanDerWaalsContact C-N 3.33Å; L331-H333 PolarHBondContact O-N 2.83Å; H333-R337 VanDerWaalsContact O-CB 3.27Å; H333-R337 WeakPolarHBondContact O-CB 3.41Å; H333-R337 PolarHBondContact O-N 3.15Å; H333-R370 WeakPolarHBondContact CE1-CD 3.46Å; H333-R370 VanDerWaalsContact CE1-CZ 3.43Å; H333-R370 PolarHBondContact CE1-NE 2.65Å; H333-R370 PolarHBondContact ND1-NE 3.46Å; H333-R370 PolarHBondContact ND1-NH2 2.9Å; H333-R370 WeakPolarHBondContact NE2-CD 3.12Å; H333-R370 PolarHBondContact NE2-NE 2.97Å
334	N	94.8	Very high	91.7	Very high	15 Å²	15	36.6 Å²	36.6	8%	0.08	17%	0.171	C	C	.	.	H	α-helix	trans	-70.6	-43.5	179.6	-72.7	-28.1	0	0	0	112.1	H292 Y330 L331 F332 R337 I338	H292-N334 PolarHBondContact ND1-ND2 2.92Å; Y330-N334 WeakPolarHBondContact O-CB 3.14Å; Y330-N334 VanDerWaalsContact O-CG 3.28Å; Y330-N334 PolarHBondContact O-N 3.29Å; Y330-N334 PolarHBondContact O-ND2 3.47Å; L331-N334 PolarHBondContact O-N 3.24Å; L331-N334 VanDerWaalsContact O-N 3.11Å; F332-N334 VanDerWaalsContact C-N 3.28Å; F332-N334 PolarHBondContact O-N 3.05Å; N334-R337 PolarHBondContact O-N 3.45Å; N334-R337 PolarHBondContact OD1-NH2 2.87Å; N334-I338 VanDerWaalsContact O-CG1 3.26Å; N334-I338 WeakPolarHBondContact O-CG1 2.95Å; N334-I338 PolarHBondContact O-N 3.28Å
335	L	95.9	Very high	92.2	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.01	19%	0.186	C	C	.	.	H	α-helix	trans	-65.3	-47.3	-179.1	-66.5	-178	0	0	0	111.5	V286 S289 L331 F332 R337 I338 L339 F532 L570 F594 L597	V286-L335 HydrophobicContact CG1-CD2 4.19Å; V286-L335 HydrophobicContact CG2-CD2 4.5Å; S289-L335 WeakPolarHBondContact OG-CD2 3.46Å; L331-L335 HydrophobicContact CD1-CD1 4Å; L331-L335 HydrophobicContact CD1-CD2 4.2Å; L331-L335 HydrophobicContact CD1-CG 3.89Å; L331-L335 HydrophobicContact CD2-CD1 4.43Å; L331-L335 HydrophobicContact CG-CD1 3.84Å; L331-L335 HydrophobicContact CG-CG 4.12Å; L331-L335 VanDerWaalsContact O-CG 3.32Å; L331-L335 WeakPolarHBondContact O-CG 3.31Å; L331-L335 PolarHBondContact O-N 3.15Å; F332-L335 PolarHBondContact O-N 3.06Å; L335-R337 VanDerWaalsContact C-N 3.32Å; L335-R337 PolarHBondContact O-N 3.39Å; L335-I338 WeakPolarHBondContact O-CB 3.3Å; L335-I338 PolarHBondContact O-N 3.36Å; L335-I338 VanDerWaalsContact O-N 3.12Å; L335-L339 WeakPolarHBondContact O-CG 3.3Å; L335-L339 PolarHBondContact O-N 3.47Å; L335-F532 HydrophobicContact CD1-CE1 3.95Å; L335-F532 HydrophobicContact CD1-CZ 3.74Å; L335-L570 HydrophobicContact CD1-CD2 4.47Å; L335-F594 HydrophobicContact CB-CE2 4.37Å; L335-F594 HydrophobicContact CD2-CD2 3.9Å; L335-F594 HydrophobicContact CD2-CE2 3.93Å; L335-L597 HydrophobicContact CB-CD2 3.99Å; L335-L597 HydrophobicContact CD1-CD2 4.11Å
336	F	93.9	Very high	92.6	Very high	6 Å²	6	39 Å²	39	3%	0.026	18%	0.177	C	C	.	.	H	α-helix	trans	-64.7	-35.4	177.3	-84.2	-83.6	0	0	0	112.6	F332 L339 E340 L395 V397 N467 L597 Y601	F332-F336 HydrophobicContact CD1-CD2 4.49Å; F332-F336 HydrophobicContact CD1-CE2 4.12Å; F332-F336 WeakPolarHBondContact O-CD2 3.27Å; F332-F336 PolarHBondContact O-N 3.32Å; F336-L339 HydrophobicContact CD1-CD1 4.28Å; F336-L339 PolarHBondContact O-N 2.82Å; F336-E340 PolarHBondContact O-N 2.61Å; F336-L395 HydrophobicContact CB-CD1 4.22Å; F336-L395 HydrophobicContact CD1-CD2 4.28Å; F336-L395 HydrophobicContact CD2-CD1 4.36Å; F336-L395 HydrophobicContact CD2-CD2 3.93Å; F336-L395 HydrophobicContact CE2-CD2 4.2Å; F336-L395 HydrophobicContact CG-CD1 4.42Å; F336-L395 HydrophobicContact CG-CD2 3.98Å; F336-L395 HydrophobicContact CZ-CD2 4.49Å; F336-V397 HydrophobicContact CD1-CG2 3.92Å; F336-V397 HydrophobicContact CE1-CG2 3.66Å; F336-V397 HydrophobicContact CZ-CG2 4.42Å; F336-N467 VanDerWaalsContact CE2-OD1 3.3Å; F336-N467 WeakPolarHBondContact CE2-OD1 3.46Å; F336-N467 WeakPolarHBondContact CZ-OD1 3.32Å; F336-L597 HydrophobicContact CE2-CD1 4.23Å; F336-L597 HydrophobicContact CZ-CD1 3.93Å; F336-Y601 AromaticContact CD1-CD2 3.94Å; F336-Y601 HydrophobicContact CD1-CD2 3.94Å; F336-Y601 HydrophobicContact CD1-CE2 4.3Å; F336-Y601 HydrophobicContact CE1-CD2 4.05Å
337	R	93.2	Very high	92.8	Very high	141 Å²	141	37.2 Å²	37.2	53%	0.532	17%	0.169	S	C	.	.	H	α-helix	trans	-63.8	-41.8	171.6	-175	178.5	64	-178.9	-4.1	111.8	H333 N334 L335 L339 E340 F341	H333-R337 VanDerWaalsContact O-CB 3.27Å; H333-R337 WeakPolarHBondContact O-CB 3.41Å; H333-R337 PolarHBondContact O-N 3.15Å; N334-R337 PolarHBondContact O-N 3.45Å; N334-R337 PolarHBondContact OD1-NH2 2.87Å; L335-R337 VanDerWaalsContact C-N 3.32Å; L335-R337 PolarHBondContact O-N 3.39Å; R337-L339 VanDerWaalsContact C-N 3.33Å; R337-E340 PolarHBondContact O-N 3.16Å; R337-F341 HydrophobicContact CG-CD2 4.03Å; R337-F341 HydrophobicContact CG-CE2 3.72Å; R337-F341 WeakPolarHBondContact O-CD2 3.48Å; R337-F341 PolarHBondContact O-N 3.46Å
338	I	95.4	Very high	92.9	Very high	21 Å²	21	42.7 Å²	42.7	11%	0.108	20%	0.198	C	C	.	.	H	α-helix	trans	-60.6	-46.3	174.1	-67.4	163.8	0	0	0	109.4	L282 V286 N334 L335 E340 F341 Q342 F594	L282-I338 HydrophobicContact CD1-CG2 3.73Å; V286-I338 HydrophobicContact CG2-CD1 4.5Å; N334-I338 VanDerWaalsContact O-CG1 3.26Å; N334-I338 WeakPolarHBondContact O-CG1 2.95Å; N334-I338 PolarHBondContact O-N 3.28Å; L335-I338 WeakPolarHBondContact O-CB 3.3Å; L335-I338 PolarHBondContact O-N 3.36Å; L335-I338 VanDerWaalsContact O-N 3.12Å; I338-E340 VanDerWaalsContact C-N 3.35Å; I338-E340 PolarHBondContact O-N 3.37Å; I338-F341 PolarHBondContact O-N 3.34Å; I338-Q342 HydrophobicContact CG2-CG 3.79Å; I338-Q342 VanDerWaalsContact O-CB 3.27Å; I338-Q342 WeakPolarHBondContact O-CB 3.48Å; I338-Q342 WeakPolarHBondContact O-CG 3.44Å; I338-Q342 PolarHBondContact O-N 2.91Å; I338-F594 HydrophobicContact CB-CZ 4.3Å; I338-F594 HydrophobicContact CG2-CE2 4.33Å; I338-F594 HydrophobicContact CG2-CZ 3.69Å
339	L	94.4	Very high	92.9	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.01	21%	0.209	C	C	.	.	H	α-helix	trans	-59.6	-42.5	179.1	-69.2	168.3	0	0	0	113.1	L335 F336 R337 F341 Q342 A343 F594 L597 S598 Y601	L335-L339 WeakPolarHBondContact O-CG 3.3Å; L335-L339 PolarHBondContact O-N 3.47Å; F336-L339 HydrophobicContact CD1-CD1 4.28Å; F336-L339 PolarHBondContact O-N 2.82Å; R337-L339 VanDerWaalsContact C-N 3.33Å; L339-F341 VanDerWaalsContact C-N 3.32Å; L339-F341 PolarHBondContact O-N 2.83Å; L339-Q342 PolarHBondContact O-N 2.9Å; L339-A343 VanDerWaalsContact O-CB 3.3Å; L339-A343 WeakPolarHBondContact O-CB 3.22Å; L339-A343 PolarHBondContact O-N 3.3Å; L339-F594 HydrophobicContact CD2-CE1 3.88Å; L339-F594 HydrophobicContact CD2-CE2 3.99Å; L339-F594 HydrophobicContact CD2-CZ 3.43Å; L339-F594 VanDerWaalsContact CD2-CZ 3.43Å; L339-F594 HydrophobicContact CG-CE2 4.03Å; L339-F594 HydrophobicContact CG-CZ 3.81Å; L339-L597 HydrophobicContact CD1-CD2 3.68Å; L339-L597 HydrophobicContact CD1-CG 3.58Å; L339-S598 WeakPolarHBondContact CD2-OG 3.4Å; L339-Y601 HydrophobicContact CB-CD1 4.01Å; L339-Y601 HydrophobicContact CB-CD2 4.41Å; L339-Y601 HydrophobicContact CB-CE1 4.36Å; L339-Y601 HydrophobicContact CB-CG 4.04Å; L339-Y601 HydrophobicContact CD1-CG 4.34Å
340	E	91.2	Very high	92.8	Very high	86 Å²	86	44.7 Å²	44.7	40%	0.402	21%	0.208	S	C	.	.	H	α-helix	trans	-57.3	-45.2	176.6	-173.3	177.5	-176.4	0	0	111.7	F336 R337 I338	F336-E340 PolarHBondContact O-N 2.61Å; R337-E340 PolarHBondContact O-N 3.16Å; I338-E340 VanDerWaalsContact C-N 3.35Å; I338-E340 PolarHBondContact O-N 3.37Å
341	F	92.2	Very high	92.5	Very high	139 Å²	139	46.2 Å²	46.2	61%	0.61	23%	0.233	S	C	*	.	H	α-helix	trans	-73	-29.2	176.5	-74	-64.5	0	0	0	113.9	R337 I338 L339	R337-F341 HydrophobicContact CG-CD2 4.03Å; R337-F341 HydrophobicContact CG-CE2 3.72Å; R337-F341 WeakPolarHBondContact O-CD2 3.48Å; R337-F341 PolarHBondContact O-N 3.46Å; I338-F341 PolarHBondContact O-N 3.34Å; L339-F341 VanDerWaalsContact C-N 3.32Å; L339-F341 PolarHBondContact O-N 2.83Å
342	Q	93.2	Very high	92.2	Very high	29 Å²	29	46.7 Å²	46.7	14%	0.136	24%	0.236	C	C	.	.	H	α-helix	trans	-95.1	-15	-172.4	-62.8	-66.2	-31.2	0	0	113.2	L282 I338 L339 Y345 Y346	L282-Q342 HydrophobicContact CD1-CB 4.42Å; L282-Q342 HydrophobicContact CD1-CG 3.76Å; I338-Q342 HydrophobicContact CG2-CG 3.79Å; I338-Q342 VanDerWaalsContact O-CB 3.27Å; I338-Q342 WeakPolarHBondContact O-CB 3.48Å; I338-Q342 WeakPolarHBondContact O-CG 3.44Å; I338-Q342 PolarHBondContact O-N 2.91Å; L339-Q342 PolarHBondContact O-N 2.9Å; Q342-Y345 WeakPolarHBondContact O-CB 3.29Å; Q342-Y345 PolarHBondContact O-N 3.5Å; Q342-Y346 HydrophobicContact CB-CD2 4.23Å; Q342-Y346 HydrophobicContact CB-CE2 4.15Å; Q342-Y346 WeakPolarHBondContact O-CD2 3.48Å; Q342-Y346 PolarHBondContact O-N 3.49Å
343	A	91.5	Very high	91.8	Very high	7 Å²	7	50.9 Å²	50.9	6%	0.058	26%	0.261	C	S	.	.	H	α-helix	trans	-54.2	-44	-179	0	0	0	0	0	113.9	L339 Y345 Y346 M347 Y601 L602	L339-A343 VanDerWaalsContact O-CB 3.3Å; L339-A343 WeakPolarHBondContact O-CB 3.22Å; L339-A343 PolarHBondContact O-N 3.3Å; A343-Y345 VanDerWaalsContact C-N 3.3Å; A343-Y345 PolarHBondContact O-N 2.92Å; A343-Y346 PolarHBondContact O-N 2.93Å; A343-M347 WeakPolarHBondContact O-CG 3.48Å; A343-M347 PolarHBondContact O-N 3.22Å; A343-Y601 HydrophobicContact CB-CD1 4.3Å; A343-Y601 HydrophobicContact CB-CE1 3.92Å; A343-L602 HydrophobicContact CB-CD2 3.83Å
344	P	91	Very high	91.4	Very high	80 Å²	80	53.2 Å²	53.2	52%	0.519	28%	0.279	S	S	.	.	H	α-helix	trans	-61.5	-35.9	176.3	-24	35.2	0	0	0	113.4	M347 N348	P344-M347 PolarHBondContact O-N 3.46Å; P344-N348 VanDerWaalsContact O-CB 3.32Å; P344-N348 WeakPolarHBondContact O-CB 3.19Å; P344-N348 PolarHBondContact O-N 3.09Å
345	Y	92.8	Very high	90.9	Very high	114 Å²	114	55 Å²	55	45%	0.447	29%	0.288	S	S	.	.	H	α-helix	trans	-68.4	-44.3	177.5	-67.6	-85.9	0	0	0	111.5	W278 Q342 A343 M347 N348 Y349	W278-Y345 AromaticContact NE1-CG 3.76Å; Q342-Y345 WeakPolarHBondContact O-CB 3.29Å; Q342-Y345 PolarHBondContact O-N 3.5Å; A343-Y345 VanDerWaalsContact C-N 3.3Å; A343-Y345 PolarHBondContact O-N 2.92Å; Y345-M347 VanDerWaalsContact C-N 3.34Å; Y345-M347 PolarHBondContact O-N 3.07Å; Y345-N348 PolarHBondContact O-N 3.43Å; Y345-Y349 HydrophobicContact CD1-CE2 4.1Å; Y345-Y349 WeakPolarHBondContact O-CB 3.36Å; Y345-Y349 WeakPolarHBondContact O-CD2 3.16Å; Y345-Y349 PolarHBondContact O-N 3.18Å
346	Y	91.8	Very high	90	Very high	1 Å²	1	63 Å²	63	0%	0.004	33%	0.325	C	S	.	.	H	α-helix	trans	-57.2	-49	173.1	-81.9	-71.1	0	0	0	111.1	I262 L265 W278 L282 Q342 A343 N348 Y349 T350 F594 D595 S598 L602	I262-Y346 HydrophobicContact CD1-CD1 4.48Å; I262-Y346 HydrophobicContact CG1-CD1 4.23Å; I262-Y346 HydrophobicContact CG2-CD1 4.08Å; I262-Y346 HydrophobicContact CG2-CE1 3.59Å; L265-Y346 HydrophobicContact CD1-CD1 4.39Å; W278-Y346 AromaticContact CH2-CD1 3.67Å; W278-Y346 HydrophobicContact CH2-CD1 3.67Å; W278-Y346 AromaticContact CH2-CE1 3.61Å; W278-Y346 HydrophobicContact CH2-CE1 3.61Å; W278-Y346 HydrophobicContact CH2-CE2 4.46Å; W278-Y346 HydrophobicContact CH2-CG 4.14Å; W278-Y346 HydrophobicContact CZ2-CD1 4.13Å; W278-Y346 HydrophobicContact CZ2-CD2 4.15Å; W278-Y346 HydrophobicContact CZ2-CE1 4.11Å; W278-Y346 HydrophobicContact CZ2-CE2 4.13Å; W278-Y346 HydrophobicContact CZ2-CG 4.16Å; L282-Y346 HydrophobicContact CD2-CE2 4.29Å; L282-Y346 VanDerWaalsContact CD2-OH 3.28Å; L282-Y346 WeakPolarHBondContact CD2-OH 3.43Å; Q342-Y346 HydrophobicContact CB-CD2 4.23Å; Q342-Y346 HydrophobicContact CB-CE2 4.15Å; Q342-Y346 WeakPolarHBondContact O-CD2 3.48Å; Q342-Y346 PolarHBondContact O-N 3.49Å; A343-Y346 PolarHBondContact O-N 2.93Å; Y346-N348 PolarHBondContact O-N 3.28Å; Y346-Y349 PolarHBondContact O-N 3.07Å; Y346-T350 WeakPolarHBondContact O-CB 3.39Å; Y346-T350 WeakPolarHBondContact O-CG2 3.4Å; Y346-T350 PolarHBondContact O-N 3.43Å; Y346-T350 PolarHBondContact O-OG1 2.83Å; Y346-F594 HydrophobicContact CE2-CE1 4.42Å; Y346-D595 PolarHBondContact OH-OD1 3.26Å; Y346-S598 PolarHBondContact OH-OG 3.13Å; Y346-L602 HydrophobicContact CG-CD1 4.14Å
347	M	91.1	Very high	89.1	Confident	24 Å²	24	64.4 Å²	64.4	12%	0.118	33%	0.333	C	S	.	.	H	α-helix	trans	-59.3	-46.6	179.2	-68.7	172.2	-173.8	0	0	112	A343 P344 Y345 T350 G351 L352 P354 L602 L605 I606	A343-M347 WeakPolarHBondContact O-CG 3.48Å; A343-M347 PolarHBondContact O-N 3.22Å; P344-M347 PolarHBondContact O-N 3.46Å; Y345-M347 VanDerWaalsContact C-N 3.34Å; Y345-M347 PolarHBondContact O-N 3.07Å; M347-T350 PolarHBondContact O-OG1 2.92Å; M347-G351 PolarHBondContact O-N 2.95Å; M347-L352 PolarHBondContact O-N 3.43Å; M347-P354 HydrophobicContact SD-CB 4.09Å; M347-L602 HydrophobicContact CE-CD2 3.58Å; M347-L602 HydrophobicContact CG-CD2 4.09Å; M347-L605 HydrophobicContact CE-CB 3.57Å; M347-L605 HydrophobicContact CE-CD1 3.89Å; M347-L605 HydrophobicContact CE-CG 4.37Å; M347-I606 HydrophobicContact CE-CG2 4.16Å; M347-I606 HydrophobicContact CG-CG2 4.26Å
348	N	91.8	Very high	87.9	Confident	119 Å²	119	66.1 Å²	66.1	64%	0.636	35%	0.348	S	S	*	.	H	α-helix	trans	-61.8	-52.1	179.3	-173.6	28.5	0	0	0	112	P344 Y345 Y346 T350 G351	P344-N348 VanDerWaalsContact O-CB 3.32Å; P344-N348 WeakPolarHBondContact O-CB 3.19Å; P344-N348 PolarHBondContact O-N 3.09Å; Y345-N348 PolarHBondContact O-N 3.43Å; Y346-N348 PolarHBondContact O-N 3.28Å; N348-T350 PolarHBondContact O-N 2.85Å; N348-G351 PolarHBondContact O-N 2.78Å
349	Y	91.4	Very high	86.5	Confident	65 Å²	65	69.7 Å²	69.7	26%	0.255	37%	0.366	S	S	.	.	H	α-helix	trans	-71.4	-27.5	-176.4	-67.1	-50.6	0	0	0	113.7	I275 W278 Y345 Y346	I275-Y349 HydrophobicContact CD1-CD1 4.19Å; I275-Y349 HydrophobicContact CG1-CD1 3.82Å; I275-Y349 HydrophobicContact CG1-CE1 3.94Å; I275-Y349 HydrophobicContact CG1-CG 4.23Å; W278-Y349 HydrophobicContact CB-CE2 4.16Å; W278-Y349 AromaticContact CD2-CD2 3.93Å; W278-Y349 HydrophobicContact CD2-CD2 3.93Å; W278-Y349 AromaticContact CD2-CE2 3.64Å; W278-Y349 HydrophobicContact CD2-CE2 3.64Å; W278-Y349 AromaticContact CE3-CD2 3.67Å; W278-Y349 HydrophobicContact CE3-CD2 3.67Å; W278-Y349 AromaticContact CE3-CE2 3.73Å; W278-Y349 HydrophobicContact CE3-CE2 3.73Å; W278-Y349 AromaticContact CG-CE2 3.81Å; W278-Y349 HydrophobicContact CG-CE2 3.81Å; W278-Y349 HydrophobicContact CH2-CD2 4.31Å; W278-Y349 AromaticContact CZ3-CD2 3.87Å; W278-Y349 HydrophobicContact CZ3-CD2 3.87Å; W278-Y349 HydrophobicContact CZ3-CE2 4.4Å; Y345-Y349 HydrophobicContact CD1-CE2 4.1Å; Y345-Y349 WeakPolarHBondContact O-CB 3.36Å; Y345-Y349 WeakPolarHBondContact O-CD2 3.16Å; Y345-Y349 PolarHBondContact O-N 3.18Å; Y346-Y349 PolarHBondContact O-N 3.07Å
350	T	88.5	Confident	85.2	Confident	25 Å²	25	71.5 Å²	71.5	15%	0.153	38%	0.379	C	S	.	.	H	α-helix	trans	-88.2	-4	174.3	57	0	0	0	0	113.6	I262 L265 Y346 M347 N348 L352	I262-T350 HydrophobicContact CG1-CG2 4.3Å; L265-T350 HydrophobicContact CD1-CG2 3.72Å; L265-T350 HydrophobicContact CD2-CG2 4.36Å; L265-T350 HydrophobicContact CG-CG2 4.07Å; Y346-T350 WeakPolarHBondContact O-CB 3.39Å; Y346-T350 WeakPolarHBondContact O-CG2 3.4Å; Y346-T350 PolarHBondContact O-N 3.43Å; Y346-T350 PolarHBondContact O-OG1 2.83Å; M347-T350 PolarHBondContact O-OG1 2.92Å; N348-T350 PolarHBondContact O-N 2.85Å; T350-L352 PolarHBondContact O-N 3.38Å; T350-L352 WeakPolarHBondContact OG1-CD1 3.42Å; T350-L352 WeakPolarHBondContact OG1-CG 3.47Å
351	G	87.4	Confident	84	Confident	63 Å²	63	74.9 Å²	74.9	65%	0.649	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.8	25	-175.5	0	0	0	0	0	113.9	M347 N348	M347-G351 PolarHBondContact O-N 2.95Å; N348-G351 PolarHBondContact O-N 2.78Å
352	L	87.3	Confident	82.9	Confident	12 Å²	12	75.6 Å²	75.6	6%	0.063	41%	0.41	C	S	.	.	P	Polyproline II helix	trans	-82.2	130.7	178.7	-64.7	170.8	0	0	0	110.3	L258 K261 M347 T350 I606 T608	L258-L352 HydrophobicContact CD1-CD1 3.38Å; K261-L352 HydrophobicContact CD-CD2 4.21Å; M347-L352 PolarHBondContact O-N 3.43Å; T350-L352 PolarHBondContact O-N 3.38Å; T350-L352 WeakPolarHBondContact OG1-CD1 3.42Å; T350-L352 WeakPolarHBondContact OG1-CG 3.47Å; L352-I606 HydrophobicContact CB-CB 4.46Å; L352-I606 HydrophobicContact CB-CG2 3.92Å; L352-I606 HydrophobicContact CD1-CD1 3.94Å; L352-I606 HydrophobicContact CD1-CG2 4.27Å; L352-I606 HydrophobicContact CD2-CD1 4.21Å; L352-T608 HydrophobicContact CD2-CG2 3.87Å
353	T	86.2	Confident	81.9	Confident	87 Å²	87	77.8 Å²	77.8	53%	0.534	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-85.9	125.6	178.5	48.6	0	0	0	0	110.6	I606 N607	T353-I606 CarbonylContact O-C 3.59Å; T353-I606 VanDerWaalsContact O-CA 3.31Å; T353-I606 WeakPolarHBondContact O-CA 3.45Å; T353-N607 PolarHBondContact O-N 3.31Å
354	P	85.4	Confident	81.3	Confident	79 Å²	79	79.8 Å²	79.8	51%	0.513	44%	0.435	S	S	.	.	B	Isolated β-bridge	trans	-68.8	154.1	176.9	29	-34	0	0	0	111.4	M347 L605 N607	M347-P354 HydrophobicContact SD-CB 4.09Å; P354-L605 CarbonylContact C-O 3.45Å; P354-L605 WeakPolarHBondContact CA-O 3.39Å; P354-N607 PolarHBondContact O-ND2 3.07Å
355	I	83.1	Confident	80.9	Confident	52 Å²	52	77.3 Å²	77.3	27%	0.267	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-73.8	138.2	169.2	-60.8	170.1	0	0	0	108.7	N357 F365 G604 L605 N607	I355-N357 PolarHBondContact O-N 2.89Å; I355-F365 HydrophobicContact CB-CE2 4.24Å; I355-F365 HydrophobicContact CB-CZ 4.31Å; I355-F365 HydrophobicContact CD1-CZ 4.4Å; I355-F365 HydrophobicContact CG2-CE2 3.95Å; I355-F365 HydrophobicContact CG2-CZ 4.07Å; I355-G604 VanDerWaalsContact CD1-O 3.3Å; I355-G604 WeakPolarHBondContact CD1-O 3.46Å; I355-L605 PolarHBondContact N-O 2.84Å; I355-N607 WeakPolarHBondContact CG1-OD1 3.46Å
356	E	77.4	Confident	80.7	Confident	170 Å²	170	72.2 Å²	72.2	79%	0.794	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-64.5	129.9	175.7	-68.1	-179.1	179.5	0	0	111	Q358	E356-Q358 PolarHBondContact O-N 3.19Å
357	N	74	Confident	80.6	Confident	36 Å²	36	77.8 Å²	77.8	19%	0.193	42%	0.417	C	S	.	.			trans	-82.2	111.2	-179.5	-170.4	-15.7	0	0	0	110.2	I355 L359 S360 L363 F365 Q400	I355-N357 PolarHBondContact O-N 2.89Å; N357-L359 VanDerWaalsContact C-N 3.32Å; N357-L359 PolarHBondContact O-N 3.5Å; N357-L359 PolarHBondContact OD1-N 2.56Å; N357-S360 VanDerWaalsContact CG-O 3.31Å; N357-S360 PolarHBondContact ND2-O 2.67Å; N357-S360 VanDerWaalsContact ND2-O 3.09Å; N357-L363 PolarHBondContact ND2-O 3.39Å; N357-F365 HydrophobicContact CB-CD2 4.35Å; N357-Q400 PolarHBondContact OD1-NE2 2.83Å; N357-Q400 PolarHBondContact OD1-OE1 2.96Å; N357-Q400 VanDerWaalsContact OD1-OE1 3.13Å
358	Q	68.5	Low	80.6	Confident	178 Å²	178	79.2 Å²	79.2	83%	0.832	43%	0.427	S	S	*	.	S	Bend	trans	-72.7	-22	-172.8	-64.3	-177.6	-4.9	0	0	113.8	E356	E356-Q358 PolarHBondContact O-N 3.19Å
359	L	67.1	Low	80.5	Confident	96 Å²	96	74.4 Å²	74.4	50%	0.503	40%	0.402	S	S	.	.	S	Bend	trans	-87.5	-42	-174.4	-70.1	177.9	0	0	0	113.2	N357 L363 Q400 A459	N357-L359 VanDerWaalsContact C-N 3.32Å; N357-L359 PolarHBondContact O-N 3.5Å; N357-L359 PolarHBondContact OD1-N 2.56Å; L359-L363 HydrophobicContact CB-CD1 4.21Å; L359-Q400 VanDerWaalsContact CD1-CD 3.42Å; L359-Q400 HydrophobicContact CD1-CG 3.95Å; L359-A459 HydrophobicContact CD1-CB 4.47Å
360	S	65.5	Low	80.4	Confident	40 Å²	40	78.6 Å²	78.6	28%	0.28	42%	0.417	S	S	.	.			trans	174.3	155.9	171.7	57.4	0	0	0	0	109.8	N357 N362 L363	N357-S360 VanDerWaalsContact CG-O 3.31Å; N357-S360 PolarHBondContact ND2-O 2.67Å; N357-S360 VanDerWaalsContact ND2-O 3.09Å; S360-N362 PolarHBondContact O-N 3.01Å; S360-N362 VanDerWaalsContact O-N 3.13Å; S360-L363 PolarHBondContact O-N 3.49Å; S360-L363 WeakPolarHBondContact OG-CG 3.17Å; S360-L363 PolarHBondContact OG-N 3Å
361	D	66.3	Low	80.4	Confident	157 Å²	157	81.4 Å²	81.4	84%	0.84	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-18.6	169.7	-64.3	-26.6	0	0	0	113.3
362	N	70.1	Confident	80.5	Confident	154 Å²	154	79 Å²	79	82%	0.824	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-18	-175	-68.2	-23.4	0	0	0	114.4	S360	S360-N362 PolarHBondContact O-N 3.01Å; S360-N362 VanDerWaalsContact O-N 3.13Å
363	L	70.9	Confident	80.7	Confident	75 Å²	75	82.3 Å²	82.3	39%	0.393	42%	0.42	S	S	.	.	S	Bend	trans	-94.7	140	177	-74.8	170.5	0	0	0	109.3	N357 L359 S360	N357-L363 PolarHBondContact ND2-O 3.39Å; L359-L363 HydrophobicContact CB-CD1 4.21Å; S360-L363 PolarHBondContact O-N 3.49Å; S360-L363 WeakPolarHBondContact OG-CG 3.17Å; S360-L363 PolarHBondContact OG-N 3Å
364	P	79.6	Confident	81	Confident	48 Å²	48	78.2 Å²	78.2	31%	0.312	40%	0.395	S	S	.	.			trans	-65.4	151.7	174.7	31	-36.1	0	0	0	109.8	R366 W367 Q400 F460	P364-R366 VanDerWaalsContact CB-O 3.3Å; P364-R366 WeakPolarHBondContact CB-O 3.38Å; P364-R366 WeakPolarHBondContact CG-O 3.25Å; P364-R366 PolarHBondContact O-N 3.11Å; P364-W367 HydrophobicContact CG-CE3 4.07Å; P364-W367 HydrophobicContact CG-CZ3 4.41Å; P364-Q400 PolarHBondContact O-NE2 3.08Å; P364-F460 HydrophobicContact CG-CZ 4.36Å; P364-F460 WeakPolarHBondContact O-CE1 3.49Å; P364-F460 WeakPolarHBondContact O-CZ 3.16Å
365	F	83.1	Confident	81.3	Confident	28 Å²	28	75.9 Å²	75.9	12%	0.123	38%	0.377	C	S	.	.	S	Bend	trans	-71.7	-22.9	175.4	-164.9	-87.2	0	0	0	112.1	I355 N357 T401 G604 L605	I355-F365 HydrophobicContact CB-CE2 4.24Å; I355-F365 HydrophobicContact CB-CZ 4.31Å; I355-F365 HydrophobicContact CD1-CZ 4.4Å; I355-F365 HydrophobicContact CG2-CE2 3.95Å; I355-F365 HydrophobicContact CG2-CZ 4.07Å; N357-F365 HydrophobicContact CB-CD2 4.35Å; F365-T401 HydrophobicContact CZ-CG2 4.27Å; F365-G604 WeakPolarHBondContact CE1-O 3.26Å; F365-L605 HydrophobicContact CB-CD2 3.88Å; F365-L605 HydrophobicContact CD1-CD2 3.23Å; F365-L605 HydrophobicContact CE1-CD2 3.96Å; F365-L605 HydrophobicContact CG-CD2 3.8Å
366	R	88.4	Confident	81.9	Confident	8 Å²	8	73.6 Å²	73.6	3%	0.03	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	152.7	179	-72.7	173.3	173.4	-139.6	-4.5	110.9	P364 V397 M398 Y601 C603 L605	P364-R366 VanDerWaalsContact CB-O 3.3Å; P364-R366 WeakPolarHBondContact CB-O 3.38Å; P364-R366 WeakPolarHBondContact CG-O 3.25Å; P364-R366 PolarHBondContact O-N 3.11Å; R366-V397 HydrophobicContact CB-CG1 4.07Å; R366-V397 HydrophobicContact CG-CG1 4.12Å; R366-M398 CarbonylContact C-O 3.49Å; R366-M398 VanDerWaalsContact CA-O 3.25Å; R366-M398 WeakPolarHBondContact CA-O 3.49Å; R366-Y601 PolarHBondContact NH1-O 2.66Å; R366-Y601 PolarHBondContact NH2-O 2.88Å; R366-C603 PolarHBondContact NH2-O 2.8Å; R366-L605 HydrophobicContact CG-CD2 3.94Å
367	W	89.2	Confident	82.7	Confident	118 Å²	118	66.4 Å²	66.4	45%	0.447	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	131.3	172.9	-169.4	-83.5	0	0	0	110.6	P364 M398 Y458 F460	P364-W367 HydrophobicContact CG-CE3 4.07Å; P364-W367 HydrophobicContact CG-CZ3 4.41Å; W367-M398 PolarHBondContact N-O 2.91Å; W367-M398 PolarHBondContact O-N 3.23Å; W367-Y458 PolarHBondContact NE1-OH 2.86Å; W367-F460 HydrophobicContact CB-CB 4.22Å; W367-F460 HydrophobicContact CB-CD1 4.15Å; W367-F460 HydrophobicContact CB-CD2 3.68Å; W367-F460 HydrophobicContact CB-CE1 4.46Å; W367-F460 HydrophobicContact CB-CE2 4.04Å; W367-F460 HydrophobicContact CB-CG 3.76Å; W367-F460 HydrophobicContact CB-CZ 4.42Å; W367-F460 HydrophobicContact CD2-CE2 4.45Å; W367-F460 HydrophobicContact CE3-CE2 4.06Å; W367-F460 HydrophobicContact CG-CD2 4.24Å; W367-F460 HydrophobicContact CG-CE2 4.49Å
368	T	90.6	Very high	83.7	Confident	53 Å²	53	64.8 Å²	64.8	33%	0.325	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	127.1	176.3	60	0	0	0	0	110.3	V396 V397	T368-V396 WeakPolarHBondContact CA-O 3.22Å; T368-V397 HydrophobicContact CG2-CG2 4.16Å
369	T	89.8	Confident	84.9	Confident	18 Å²	18	60.8 Å²	60.8	11%	0.11	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	157.3	175.4	59.6	0	0	0	0	110.2	L395 V396 W450	T369-L395 CarbonylContact O-C 3.58Å; T369-L395 VanDerWaalsContact O-CA 3.3Å; T369-L395 WeakPolarHBondContact O-CA 3.4Å; T369-V396 PolarHBondContact N-O 3.03Å; T369-V396 PolarHBondContact O-N 3.48Å; T369-V396 PolarHBondContact OG1-O 2.85Å; T369-W450 HydrophobicContact CG2-CH2 4.38Å; T369-W450 HydrophobicContact CG2-CZ2 3.85Å
370	R	89.7	Confident	86.2	Confident	153 Å²	153	56.5 Å²	56.5	58%	0.577	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.3	155.6	177.9	-64	178.8	-180	178.3	1.6	110.5	H333 R372 D394	H333-R370 WeakPolarHBondContact CE1-CD 3.46Å; H333-R370 VanDerWaalsContact CE1-CZ 3.43Å; H333-R370 PolarHBondContact CE1-NE 2.65Å; H333-R370 PolarHBondContact ND1-NE 3.46Å; H333-R370 PolarHBondContact ND1-NH2 2.9Å; H333-R370 WeakPolarHBondContact NE2-CD 3.12Å; H333-R370 PolarHBondContact NE2-NE 2.97Å; R370-R372 VanDerWaalsContact C-N 3.28Å; R370-R372 PolarHBondContact O-N 2.92Å; R370-D394 VanDerWaalsContact CA-O 3.24Å; R370-D394 WeakPolarHBondContact CA-O 3.23Å
371	D	88.1	Confident	87.3	Confident	84 Å²	84	55.2 Å²	55.2	45%	0.449	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	53.2	42.9	172.6	-62.2	-59.6	0	0	0	113.1	L373 Q392 H393 D394	D371-L373 PolarHBondContact O-N 2.81Å; D371-Q392 PolarHBondContact OD1-NE2 2.97Å; D371-H393 CarbonylContact C-O 3.51Å; D371-H393 VanDerWaalsContact CA-O 3.23Å; D371-H393 WeakPolarHBondContact CA-O 3.46Å; D371-H393 PolarHBondContact N-O 3.06Å; D371-D394 PolarHBondContact N-O 3.29Å; D371-D394 VanDerWaalsContact N-O 3.09Å
372	R	90.9	Very high	88.1	Confident	13 Å²	13	51.6 Å²	51.6	5%	0.049	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	114.7	179.3	-175.3	-175.7	74.8	93.9	-4.3	109.4	R370 H393 V396 N448 S501	R370-R372 VanDerWaalsContact C-N 3.28Å; R370-R372 PolarHBondContact O-N 2.92Å; R372-H393 HydrophobicContact CB-CB 4.48Å; R372-H393 PolarHBondContact N-O 3.33Å; R372-H393 PolarHBondContact NH2-CE1 3.23Å; R372-H393 PolarHBondContact NH2-ND1 2.72Å; R372-H393 PolarHBondContact O-N 3.28Å; R372-V396 HydrophobicContact CB-CB 4.5Å; R372-V396 HydrophobicContact CB-CG2 3.78Å; R372-V396 HydrophobicContact CG-CG2 4.45Å; R372-N448 WeakPolarHBondContact CD-O 3.29Å; R372-N448 PolarHBondContact NH1-O 2.97Å; R372-S501 PolarHBondContact NH2-OG 2.8Å
373	L	91	Very high	88.8	Confident	82 Å²	82	49.5 Å²	49.5	43%	0.429	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	121.2	168.7	-176.7	63.5	0	0	0	109.9	D371 E375 G449	D371-L373 PolarHBondContact O-N 2.81Å; L373-E375 HydrophobicContact CD1-CG 4.43Å; L373-E375 HydrophobicContact CD2-CG 4.35Å; L373-E375 HydrophobicContact CG-CG 4.14Å; L373-G449 VanDerWaalsContact O-CA 3.23Å; L373-G449 WeakPolarHBondContact O-CA 3.34Å
374	L	91.6	Very high	89.7	Confident	0 Å²	0	51 Å²	51	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	120.5	170.5	170.1	67.7	0	0	0	108.5	T376 S390 E391 A500 A504	L374-T376 HydrophobicContact CD1-CG2 4.03Å; L374-T376 HydrophobicContact CG-CG2 4.36Å; L374-S390 WeakPolarHBondContact O-CA 3.38Å; L374-E391 PolarHBondContact N-O 3Å; L374-E391 PolarHBondContact O-N 3.41Å; L374-A500 HydrophobicContact CD2-CB 3.62Å; L374-A504 HydrophobicContact CD1-CB 3.5Å; L374-A504 VanDerWaalsContact CD1-CB 3.5Å
375	E	92.7	Very high	90.3	Very high	30 Å²	30	53.4 Å²	53.4	14%	0.14	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	115.7	168.9	-67.5	-176.1	136.9	0	0	108.5	L373 F389 R443 S446 T447	L373-E375 HydrophobicContact CD1-CG 4.43Å; L373-E375 HydrophobicContact CD2-CG 4.35Å; L373-E375 HydrophobicContact CG-CG 4.14Å; E375-F389 VanDerWaalsContact CA-O 3.32Å; E375-F389 WeakPolarHBondContact CA-O 3.13Å; E375-R443 WeakPolarHBondContact OE2-CD 3.25Å; E375-R443 IonicContact OE2-CZ 2.72Å; E375-R443 IonicContact OE2-NE 2.83Å; E375-R443 IonicContact OE2-NH1 3.98Å; E375-R443 PolarHBondContact OE2-NH1 2.72Å; E375-S446 CarbonylContact O-C 3.56Å; E375-S446 WeakPolarHBondContact O-CA 3.4Å; E375-T447 PolarHBondContact N-O 3.13Å; E375-T447 PolarHBondContact O-N 3.43Å; E375-T447 VanDerWaalsContact O-O 3.08Å
376	T	94.9	Very high	90.9	Very high	5 Å²	5	53.5 Å²	53.5	3%	0.031	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	172.2	179.2	-164.4	0	0	0	0	110.9	L374 S388 F389 S446 A500 A504	L374-T376 HydrophobicContact CD1-CG2 4.03Å; L374-T376 HydrophobicContact CG-CG2 4.36Å; T376-S388 CarbonylContact O-C 3.51Å; T376-S388 WeakPolarHBondContact O-CA 3.3Å; T376-F389 HydrophobicContact CG2-CB 4.1Å; T376-F389 HydrophobicContact CG2-CD2 3.91Å; T376-F389 HydrophobicContact CG2-CG 4.33Å; T376-F389 PolarHBondContact N-O 2.96Å; T376-F389 VanDerWaalsContact N-O 3.13Å; T376-F389 PolarHBondContact O-N 3.42Å; T376-S446 WeakPolarHBondContact CA-OG 3.39Å; T376-S446 PolarHBondContact OG1-OG 3.16Å; T376-A500 HydrophobicContact CG2-CB 3.97Å; T376-A500 WeakPolarHBondContact CG2-O 3.39Å; T376-A504 HydrophobicContact CG2-CB 4.28Å
377	F	95.3	Very high	91.2	Very high	18 Å²	18	53.1 Å²	53.1	8%	0.079	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	166.4	176.7	67	-81.9	0	0	0	111.5	Y379 R386 I387 E444 R507	F377-Y379 AromaticContact CE2-CE2 3.95Å; F377-Y379 HydrophobicContact CE2-CE2 3.95Å; F377-Y379 AromaticContact CE2-CZ 3.84Å; F377-R386 HydrophobicContact CB-CG 4.14Å; F377-R386 HydrophobicContact CD2-CG 3.99Å; F377-R386 HydrophobicContact CG-CG 4.32Å; F377-I387 CarbonylContact C-O 3.57Å; F377-I387 WeakPolarHBondContact CA-O 3.27Å; F377-I387 WeakPolarHBondContact CB-O 3.42Å; F377-E444 WeakPolarHBondContact CE1-O 3.3Å; F377-E444 WeakPolarHBondContact CZ-O 3.47Å; F377-R507 VanDerWaalsContact CE2-NH2 3.29Å; F377-R507 PolarHBondContact O-NH1 3.26Å; F377-R507 VanDerWaalsContact O-NH1 3.15Å; F377-R507 PolarHBondContact O-NH2 3.49Å; F377-R507 VanDerWaalsContact O-NH2 3.16Å
378	Y	95.1	Very high	91.5	Very high	3 Å²	3	47.9 Å²	47.9	1%	0.012	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	168.3	168.8	71.4	-70	0	0	0	109.5	L242 W380 I387 F389 F499 V544	L242-Y378 VanDerWaalsContact O-CE2 3.3Å; L242-Y378 WeakPolarHBondContact O-CE2 3.13Å; L242-Y378 VanDerWaalsContact O-CZ 3.3Å; L242-Y378 PolarHBondContact O-OH 2.86Å; Y378-W380 HydrophobicContact CE2-CB 4.27Å; Y378-I387 HydrophobicContact CD1-CB 4Å; Y378-I387 HydrophobicContact CD1-CG2 4.34Å; Y378-I387 HydrophobicContact CE1-CB 3.47Å; Y378-I387 VanDerWaalsContact CE1-CB 3.47Å; Y378-I387 HydrophobicContact CE1-CD1 4.24Å; Y378-I387 HydrophobicContact CE1-CG1 4.4Å; Y378-I387 HydrophobicContact CE1-CG2 3.51Å; Y378-I387 HydrophobicContact CE2-CD1 4.28Å; Y378-I387 PolarHBondContact N-O 2.58Å; Y378-I387 PolarHBondContact O-N 3.36Å; Y378-I387 WeakPolarHBondContact OH-CD1 3.07Å; Y378-F389 AromaticContact CD1-CE2 3.7Å; Y378-F389 HydrophobicContact CD1-CE2 3.7Å; Y378-F389 HydrophobicContact CD1-CZ 4.48Å; Y378-F389 AromaticContact CE1-CE2 3.51Å; Y378-F389 HydrophobicContact CE1-CE2 3.51Å; Y378-F389 AromaticContact CE1-CZ 3.89Å; Y378-F389 HydrophobicContact CE1-CZ 3.89Å; Y378-F499 AromaticContact CD1-CE1 3.72Å; Y378-F499 HydrophobicContact CD1-CE1 3.72Å; Y378-F499 AromaticContact CD2-CE1 3.98Å; Y378-F499 HydrophobicContact CD2-CE1 3.98Å; Y378-F499 HydrophobicContact CD2-CZ 4.08Å; Y378-F499 HydrophobicContact CE1-CD1 4.43Å; Y378-F499 AromaticContact CE1-CE1 3.71Å; Y378-F499 HydrophobicContact CE1-CE1 3.71Å; Y378-F499 AromaticContact CE2-CE1 3.97Å; Y378-F499 HydrophobicContact CE2-CE1 3.97Å; Y378-F499 HydrophobicContact CE2-CZ 4.25Å; Y378-F499 AromaticContact CG-CE1 3.84Å; Y378-F499 HydrophobicContact CG-CE1 3.84Å; Y378-F499 HydrophobicContact CG-CZ 4.19Å; Y378-F499 AromaticContact CZ-CE1 3.82Å; Y378-V544 HydrophobicContact CD2-CB 4.28Å; Y378-V544 HydrophobicContact CD2-CG2 3.9Å; Y378-V544 HydrophobicContact CE2-CB 3.99Å; Y378-V544 HydrophobicContact CE2-CG1 4.44Å; Y378-V544 HydrophobicContact CE2-CG2 3.72Å
379	Y	93.9	Very high	91.8	Very high	93 Å²	93	45.6 Å²	45.6	37%	0.365	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	133	177.8	-64.8	-66.8	0	0	0	110.3	F377 K384 R385 R386	F377-Y379 AromaticContact CE2-CE2 3.95Å; F377-Y379 HydrophobicContact CE2-CE2 3.95Å; F377-Y379 AromaticContact CE2-CZ 3.84Å; Y379-K384 HydrophobicContact CD1-CB 4Å; Y379-K384 WeakPolarHBondContact CD1-O 3.44Å; Y379-K384 HydrophobicContact CG-CB 4.14Å; Y379-R385 WeakPolarHBondContact CA-O 3.48Å; Y379-R386 HydrophobicContact CD1-CB 4.38Å; Y379-R386 HydrophobicContact CE1-CB 4.21Å; Y379-R386 HydrophobicContact CE1-CG 4.47Å
380	W	93.2	Very high	91.9	Very high	7 Å²	7	47.4 Å²	47.4	3%	0.027	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	129.5	-178.5	-174	91.1	0	0	0	111.1	Y378 R385 I387 P432 L433 V544 D546	Y378-W380 HydrophobicContact CE2-CB 4.27Å; W380-R385 PolarHBondContact N-O 2.97Å; W380-R385 PolarHBondContact O-N 3.47Å; W380-I387 HydrophobicContact CB-CD1 3.56Å; W380-I387 HydrophobicContact CB-CG1 4.14Å; W380-I387 HydrophobicContact CG-CD1 3.87Å; W380-P432 HydrophobicContact CZ2-CB 4.27Å; W380-P432 HydrophobicContact CZ2-CG 4.19Å; W380-L433 HydrophobicContact CD2-CD2 3.86Å; W380-L433 HydrophobicContact CD2-CG 4.5Å; W380-L433 HydrophobicContact CE3-CD1 3.86Å; W380-L433 HydrophobicContact CE3-CD2 3.85Å; W380-L433 HydrophobicContact CE3-CG 4.11Å; W380-L433 HydrophobicContact CG-CD2 4.28Å; W380-L433 HydrophobicContact CH2-CD1 4.4Å; W380-L433 HydrophobicContact CH2-CG 4.25Å; W380-L433 HydrophobicContact CZ3-CD1 3.71Å; W380-L433 HydrophobicContact CZ3-CD2 4.22Å; W380-L433 HydrophobicContact CZ3-CG 3.98Å; W380-V544 HydrophobicContact CG-CG1 4.43Å; W380-D546 HydrophobicContact CE3-CB 4.31Å; W380-D546 HydrophobicContact CH2-CB 3.54Å; W380-D546 WeakPolarHBondContact CH2-OD2 3.18Å; W380-D546 HydrophobicContact CZ2-CB 3.94Å; W380-D546 HydrophobicContact CZ3-CB 3.73Å; W380-D546 VanDerWaalsContact CZ3-OD2 3.31Å; W380-D546 WeakPolarHBondContact CZ3-OD2 3.42Å
381	G	88.6	Confident	92.1	Very high	12 Å²	12	40.8 Å²	40.8	12%	0.124	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.7	176.1	176	0	0	0	0	0	114.9	E383 K384 V544	G381-E383 PolarHBondContact O-N 2.85Å; G381-K384 PolarHBondContact O-N 3.33Å; G381-K384 VanDerWaalsContact O-N 3.07Å; G381-V544 PolarHBondContact N-O 2.89Å
382	P	83.3	Confident	92.2	Very high	81 Å²	81	41.5 Å²	41.5	53%	0.526	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-26	-177.7	27.3	-34	0	0	0	112.9	K384 L549	P382-K384 PolarHBondContact O-N 3.15Å; P382-L549 HydrophobicContact CG-CB 4.07Å
383	E	85.7	Confident	92.3	Very high	110 Å²	110	41 Å²	41	51%	0.514	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-2.7	174.6	-64.4	179	175.5	0	0	113	G381 R385	G381-E383 PolarHBondContact O-N 2.85Å; E383-R385 VanDerWaalsContact C-N 3.35Å; E383-R385 HydrophobicContact CB-CG 4.25Å; E383-R385 PolarHBondContact O-N 3.27Å; E383-R385 IonicContact OE2-CZ 3.68Å; E383-R385 IonicContact OE2-NE 3.51Å; E383-R385 PolarHBondContact OE2-NE 3.46Å; E383-R385 IonicContact OE2-NH2 2.74Å; E383-R385 PolarHBondContact OE2-NH2 3.05Å
384	K	89	Confident	92.3	Very high	108 Å²	108	37.2 Å²	37.2	47%	0.47	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.5	50.8	-175.1	-65.9	-160.2	175.7	-161.4	0	112.8	Y379 G381 P382 R386 E513	Y379-K384 HydrophobicContact CD1-CB 4Å; Y379-K384 WeakPolarHBondContact CD1-O 3.44Å; Y379-K384 HydrophobicContact CG-CB 4.14Å; G381-K384 PolarHBondContact O-N 3.33Å; G381-K384 VanDerWaalsContact O-N 3.07Å; P382-K384 PolarHBondContact O-N 3.15Å; K384-R386 PolarHBondContact O-N 2.97Å; K384-E513 IonicContact NZ-OE2 2.84Å; K384-E513 PolarHBondContact NZ-OE2 3.16Å
385	R	92.6	Very high	92.3	Very high	97 Å²	97	37.4 Å²	37.4	37%	0.366	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	127.9	175	-65.8	-175.1	-175.7	-167.6	0.6	110.1	Y379 W380 E383 I387	Y379-R385 WeakPolarHBondContact CA-O 3.48Å; W380-R385 PolarHBondContact N-O 2.97Å; W380-R385 PolarHBondContact O-N 3.47Å; E383-R385 VanDerWaalsContact C-N 3.35Å; E383-R385 HydrophobicContact CB-CG 4.25Å; E383-R385 PolarHBondContact O-N 3.27Å; E383-R385 IonicContact OE2-CZ 3.68Å; E383-R385 IonicContact OE2-NE 3.51Å; E383-R385 PolarHBondContact OE2-NE 3.46Å; E383-R385 IonicContact OE2-NH2 2.74Å; E383-R385 PolarHBondContact OE2-NH2 3.05Å; R385-I387 PolarHBondContact O-N 2.74Å
386	R	94.8	Very high	92.3	Very high	31 Å²	31	36 Å²	36	12%	0.117	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	118.1	-178.5	-172.1	-177.1	179.8	121.6	1.7	110.9	S223 L224 F377 Y379 K384 S388 R443 E444	S223-R386 PolarHBondContact OG-O 3.28Å; S223-R386 VanDerWaalsContact OG-O 3.12Å; L224-R386 PolarHBondContact N-O 3.44Å; F377-R386 HydrophobicContact CB-CG 4.14Å; F377-R386 HydrophobicContact CD2-CG 3.99Å; F377-R386 HydrophobicContact CG-CG 4.32Å; Y379-R386 HydrophobicContact CD1-CB 4.38Å; Y379-R386 HydrophobicContact CE1-CB 4.21Å; Y379-R386 HydrophobicContact CE1-CG 4.47Å; K384-R386 PolarHBondContact O-N 2.97Å; R386-S388 PolarHBondContact NE-OG 3.32Å; R386-R443 PolarHBondContact NH2-O 3.03Å; R386-E444 PolarHBondContact NH2-O 2.72Å
387	I	95.9	Very high	92.3	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	119.1	169.4	-58.4	177.2	0	0	0	108.4	L224 L242 F377 Y378 W380 R385 L433 L436	L224-I387 HydrophobicContact CB-CG1 4.33Å; L224-I387 CarbonylContact O-C 3.47Å; L224-I387 VanDerWaalsContact O-CA 3.24Å; L224-I387 WeakPolarHBondContact O-CA 3.17Å; L242-I387 HydrophobicContact CD2-CD1 4.11Å; F377-I387 CarbonylContact C-O 3.57Å; F377-I387 WeakPolarHBondContact CA-O 3.27Å; F377-I387 WeakPolarHBondContact CB-O 3.42Å; Y378-I387 HydrophobicContact CD1-CB 4Å; Y378-I387 HydrophobicContact CD1-CG2 4.34Å; Y378-I387 HydrophobicContact CE1-CB 3.47Å; Y378-I387 VanDerWaalsContact CE1-CB 3.47Å; Y378-I387 HydrophobicContact CE1-CD1 4.24Å; Y378-I387 HydrophobicContact CE1-CG1 4.4Å; Y378-I387 HydrophobicContact CE1-CG2 3.51Å; Y378-I387 HydrophobicContact CE2-CD1 4.28Å; Y378-I387 PolarHBondContact N-O 2.58Å; Y378-I387 PolarHBondContact O-N 3.36Å; Y378-I387 WeakPolarHBondContact OH-CD1 3.07Å; W380-I387 HydrophobicContact CB-CD1 3.56Å; W380-I387 HydrophobicContact CB-CG1 4.14Å; W380-I387 HydrophobicContact CG-CD1 3.87Å; R385-I387 PolarHBondContact O-N 2.74Å; I387-L433 HydrophobicContact CD1-CD2 3.7Å; I387-L433 HydrophobicContact CG1-CD2 4.47Å; I387-L436 HydrophobicContact CD1-CD1 4.05Å; I387-L436 HydrophobicContact CG1-CD1 4.31Å; I387-L436 HydrophobicContact CG2-CD1 4.28Å
388	S	95.6	Very high	92.1	Very high	8 Å²	8	34.9 Å²	34.9	6%	0.056	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	154.6	-177	-62.6	0	0	0	0	111.8	S223 L224 I225 F226 T376 R386	S223-S388 WeakPolarHBondContact OG-CB 3.38Å; S223-S388 PolarHBondContact OG-OG 3.14Å; L224-S388 PolarHBondContact O-N 3.32Å; I225-S388 WeakPolarHBondContact CA-O 3.16Å; F226-S388 PolarHBondContact N-O 2.86Å; T376-S388 CarbonylContact O-C 3.51Å; T376-S388 WeakPolarHBondContact O-CA 3.3Å; R386-S388 PolarHBondContact NE-OG 3.32Å
389	F	95.3	Very high	91.8	Very high	5 Å²	5	34.8 Å²	34.8	2%	0.022	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	135.3	175.2	-63.1	-94.3	0	0	0	108.6	F226 E375 T376 Y378 M496 F499 A500	F226-F389 HydrophobicContact CB-CD1 3.83Å; F226-F389 HydrophobicContact CB-CE1 3.76Å; F226-F389 AromaticContact CD1-CD1 3.62Å; F226-F389 HydrophobicContact CD1-CD1 3.62Å; F226-F389 AromaticContact CD1-CE1 3.71Å; F226-F389 HydrophobicContact CD1-CE1 3.71Å; F226-F389 HydrophobicContact CG-CD1 4.03Å; F226-F389 AromaticContact CG-CE1 3.82Å; F226-F389 HydrophobicContact CG-CE1 3.82Å; E375-F389 VanDerWaalsContact CA-O 3.32Å; E375-F389 WeakPolarHBondContact CA-O 3.13Å; T376-F389 HydrophobicContact CG2-CB 4.1Å; T376-F389 HydrophobicContact CG2-CD2 3.91Å; T376-F389 HydrophobicContact CG2-CG 4.33Å; T376-F389 PolarHBondContact N-O 2.96Å; T376-F389 VanDerWaalsContact N-O 3.13Å; T376-F389 PolarHBondContact O-N 3.42Å; Y378-F389 AromaticContact CD1-CE2 3.7Å; Y378-F389 HydrophobicContact CD1-CE2 3.7Å; Y378-F389 HydrophobicContact CD1-CZ 4.48Å; Y378-F389 AromaticContact CE1-CE2 3.51Å; Y378-F389 HydrophobicContact CE1-CE2 3.51Å; Y378-F389 AromaticContact CE1-CZ 3.89Å; Y378-F389 HydrophobicContact CE1-CZ 3.89Å; F389-M496 HydrophobicContact CE1-CB 4.24Å; F389-M496 HydrophobicContact CE1-CE 3.81Å; F389-M496 HydrophobicContact CZ-CE 3.71Å; F389-F499 HydrophobicContact CZ-CD1 4.32Å; F389-A500 HydrophobicContact CB-CB 4.12Å; F389-A500 HydrophobicContact CD1-CB 3.5Å; F389-A500 HydrophobicContact CD2-CB 3.63Å; F389-A500 HydrophobicContact CE1-CB 3.7Å; F389-A500 HydrophobicContact CE2-CB 3.79Å; F389-A500 HydrophobicContact CG-CB 3.47Å; F389-A500 VanDerWaalsContact CG-CB 3.47Å; F389-A500 HydrophobicContact CZ-CB 3.84Å
390	S	93.4	Very high	91.4	Very high	56 Å²	56	31.5 Å²	31.5	39%	0.392	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	85	168.3	-171.1	0	0	0	0	107.1	L374	L374-S390 WeakPolarHBondContact O-CA 3.38Å
391	E	92.5	Very high	91.1	Very high	13 Å²	13	33.4 Å²	33.4	6%	0.061	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	142.7	-169.9	-68.9	-69.4	155.9	0	0	110.6	F226 S227 S228 L374 N497	F226-E391 HydrophobicContact CD1-CG 4.35Å; S227-E391 VanDerWaalsContact CA-OE1 3.22Å; S227-E391 WeakPolarHBondContact CA-OE1 3.28Å; S228-E391 VanDerWaalsContact CB-OE2 3.27Å; S228-E391 WeakPolarHBondContact CB-OE2 3.41Å; S228-E391 PolarHBondContact N-OE1 3.28Å; S228-E391 PolarHBondContact OG-OE2 2.94Å; L374-E391 PolarHBondContact N-O 3Å; L374-E391 PolarHBondContact O-N 3.41Å; E391-N497 WeakPolarHBondContact CG-OD1 3.29Å
392	Q	91	Very high	91.1	Very high	100 Å²	100	35.9 Å²	35.9	47%	0.467	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	111.4	176.3	-177.8	176.6	-5.5	0	0	109.2	D371	D371-Q392 PolarHBondContact OD1-NE2 2.97Å
393	H	92	Very high	91.3	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	137	174.9	-56.9	108	0	0	0	110.7	D371 R372 V396 V466 N497	D371-H393 CarbonylContact C-O 3.51Å; D371-H393 VanDerWaalsContact CA-O 3.23Å; D371-H393 WeakPolarHBondContact CA-O 3.46Å; D371-H393 PolarHBondContact N-O 3.06Å; R372-H393 HydrophobicContact CB-CB 4.48Å; R372-H393 PolarHBondContact N-O 3.33Å; R372-H393 PolarHBondContact NH2-CE1 3.23Å; R372-H393 PolarHBondContact NH2-ND1 2.72Å; R372-H393 PolarHBondContact O-N 3.28Å; H393-V396 HydrophobicContact CB-CG2 3.64Å; H393-V466 HydrophobicContact CB-CG1 4.02Å; H393-V466 WeakPolarHBondContact CD2-CG1 3.21Å; H393-V466 VanDerWaalsContact NE2-CG1 3.34Å; H393-V466 WeakPolarHBondContact NE2-CG1 3.43Å; H393-N497 PolarHBondContact NE2-OD1 3.09Å
394	D	91.3	Very high	91.4	Very high	3 Å²	3	28.1 Å²	28.1	2%	0.016	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	-45.8	-175	-63.9	-37.1	0	0	0	112.5	R329 R370 D371 N467 S469	R329-D394 HydrophobicContact CG-CB 3.98Å; R329-D394 IonicContact CZ-OD1 3.81Å; R329-D394 IonicContact NE-OD1 3.69Å; R329-D394 PolarHBondContact NE-OD1 3.41Å; R329-D394 IonicContact NE-OD2 3.66Å; R329-D394 IonicContact NH2-OD1 3.74Å; R329-D394 PolarHBondContact NH2-OD1 2.83Å; R370-D394 VanDerWaalsContact CA-O 3.24Å; R370-D394 WeakPolarHBondContact CA-O 3.23Å; D371-D394 PolarHBondContact N-O 3.29Å; D371-D394 VanDerWaalsContact N-O 3.09Å; D394-N467 PolarHBondContact N-O 2.71Å; D394-S469 WeakPolarHBondContact OD2-CA 3.25Å; D394-S469 WeakPolarHBondContact OD2-CB 3.16Å; D394-S469 PolarHBondContact OD2-N 2.92Å; D394-S469 PolarHBondContact OD2-OG 2.81Å
395	L	92.3	Very high	91.4	Very high	4 Å²	4	25 Å²	25	2%	0.021	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	132.3	177.6	-176.5	149.5	0	0	0	110.3	F336 T369 V397 N467	F336-L395 HydrophobicContact CB-CD1 4.22Å; F336-L395 HydrophobicContact CD1-CD2 4.28Å; F336-L395 HydrophobicContact CD2-CD1 4.36Å; F336-L395 HydrophobicContact CD2-CD2 3.93Å; F336-L395 HydrophobicContact CE2-CD2 4.2Å; F336-L395 HydrophobicContact CG-CD1 4.42Å; F336-L395 HydrophobicContact CG-CD2 3.98Å; F336-L395 HydrophobicContact CZ-CD2 4.49Å; T369-L395 CarbonylContact O-C 3.58Å; T369-L395 VanDerWaalsContact O-CA 3.3Å; T369-L395 WeakPolarHBondContact O-CA 3.4Å; L395-V397 HydrophobicContact CD2-CG2 3.89Å; L395-N467 HydrophobicContact CB-CB 4.35Å; L395-N467 WeakPolarHBondContact CD2-ND2 3.39Å; L395-N467 PolarHBondContact N-O 3.49Å; L395-N467 WeakPolarHBondContact O-CA 3.35Å; L395-N467 VanDerWaalsContact O-CB 3.27Å; L395-N467 WeakPolarHBondContact O-CB 3.49Å; L395-N467 PolarHBondContact O-N 3.01Å; L395-N467 PolarHBondContact O-ND2 2.83Å
396	V	93.5	Very high	91	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	125.5	179.6	-176.4	0	0	0	0	109.5	T368 T369 R372 H393 M398 I463 T465 V466	T368-V396 WeakPolarHBondContact CA-O 3.22Å; T369-V396 PolarHBondContact N-O 3.03Å; T369-V396 PolarHBondContact O-N 3.48Å; T369-V396 PolarHBondContact OG1-O 2.85Å; R372-V396 HydrophobicContact CB-CB 4.5Å; R372-V396 HydrophobicContact CB-CG2 3.78Å; R372-V396 HydrophobicContact CG-CG2 4.45Å; H393-V396 HydrophobicContact CB-CG2 3.64Å; V396-M398 HydrophobicContact CG1-SD 3.66Å; V396-I463 HydrophobicContact CG1-CG2 4.01Å; V396-T465 CarbonylContact C-O 3.59Å; V396-T465 WeakPolarHBondContact CA-O 3.27Å; V396-V466 HydrophobicContact CG1-CG2 4.47Å
397	V	93.5	Very high	90.5	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	120.3	173.7	-172.3	0	0	0	0	107.9	F336 R366 T368 L395 F464 T465	F336-V397 HydrophobicContact CD1-CG2 3.92Å; F336-V397 HydrophobicContact CE1-CG2 3.66Å; F336-V397 HydrophobicContact CZ-CG2 4.42Å; R366-V397 HydrophobicContact CB-CG1 4.07Å; R366-V397 HydrophobicContact CG-CG1 4.12Å; T368-V397 HydrophobicContact CG2-CG2 4.16Å; L395-V397 HydrophobicContact CD2-CG2 3.89Å; V397-F464 WeakPolarHBondContact O-CA 3.43Å; V397-F464 VanDerWaalsContact O-CB 3.28Å; V397-F464 WeakPolarHBondContact O-CB 3.46Å; V397-F464 PolarHBondContact O-N 2.99Å; V397-T465 PolarHBondContact N-O 2.55Å; V397-T465 PolarHBondContact O-N 2.86Å; V397-T465 VanDerWaalsContact O-N 3.11Å
398	M	91.8	Very high	89.7	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	147.4	176.6	-52.8	-66.1	-67.6	0	0	109.6	R366 W367 V396 Y458 F460 H462 I463	R366-M398 CarbonylContact C-O 3.49Å; R366-M398 VanDerWaalsContact CA-O 3.25Å; R366-M398 WeakPolarHBondContact CA-O 3.49Å; W367-M398 PolarHBondContact N-O 2.91Å; W367-M398 PolarHBondContact O-N 3.23Å; V396-M398 HydrophobicContact CG1-SD 3.66Å; M398-Y458 HydrophobicContact CG-CE1 4.42Å; M398-F460 HydrophobicContact CB-CB 3.8Å; M398-F460 VanDerWaalsContact CE-O 3.3Å; M398-F460 WeakPolarHBondContact CE-O 2.93Å; M398-H462 CarbonylContact C-O 3.58Å; M398-H462 VanDerWaalsContact CA-O 3.23Å; M398-H462 WeakPolarHBondContact CA-O 3.48Å; M398-I463 HydrophobicContact CE-CG1 3.75Å; M398-I463 HydrophobicContact SD-CB 4.29Å; M398-I463 HydrophobicContact SD-CG1 3.79Å
399	G	89	Confident	89	Confident	1 Å²	1	26.4 Å²	26.4	1%	0.01	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	156.8	177.2	0	0	0	0	0	112.7	T401 F460 H462	G399-T401 VanDerWaalsContact C-N 3.3Å; G399-F460 CarbonylContact O-C 3.59Å; G399-F460 WeakPolarHBondContact O-CA 3.47Å; G399-H462 PolarHBondContact N-O 3.41Å; G399-H462 PolarHBondContact O-N 3.47Å
400	Q	85.3	Confident	88.4	Confident	25 Å²	25	30.7 Å²	30.7	12%	0.117	17%	0.168	C	C	.	.	S	Bend	trans	-70.7	-30.7	168.1	-61.2	-178.3	16.5	0	0	111.6	N357 L359 P364 F460 H462	N357-Q400 PolarHBondContact OD1-NE2 2.83Å; N357-Q400 PolarHBondContact OD1-OE1 2.96Å; N357-Q400 VanDerWaalsContact OD1-OE1 3.13Å; L359-Q400 VanDerWaalsContact CD1-CD 3.42Å; L359-Q400 HydrophobicContact CD1-CG 3.95Å; P364-Q400 PolarHBondContact O-NE2 3.08Å; Q400-F460 HydrophobicContact CB-CD1 4.46Å; Q400-F460 HydrophobicContact CG-CD1 3.47Å; Q400-F460 VanDerWaalsContact CG-CD1 3.47Å; Q400-F460 HydrophobicContact CG-CE1 3.38Å; Q400-F460 HydrophobicContact CG-CZ 4.36Å; Q400-H462 PolarHBondContact O-CD2 2.92Å; Q400-H462 VanDerWaalsContact O-CD2 3.25Å
401	T	86.5	Confident	87.9	Confident	46 Å²	46	32.3 Å²	32.3	28%	0.282	17%	0.172	S	C	.	.	S	Bend	trans	-114.4	153.6	176	58.6	0	0	0	0	110.2	F365 G399 H462	F365-T401 HydrophobicContact CZ-CG2 4.27Å; G399-T401 VanDerWaalsContact C-N 3.3Å; T401-H462 VanDerWaalsContact C-CD2 3.44Å
402	P	87.9	Confident	87.5	Confident	64 Å²	64	32.2 Å²	32.2	42%	0.416	17%	0.173	S	C	.	.	P	Polyproline II helix	trans	-61.8	155.9	174	27.2	-34.5	0	0	0	111.3
403	A	88.9	Confident	87.2	Confident	6 Å²	6	27.8 Å²	27.8	5%	0.05	15%	0.152	C	C	.	.	P	Polyproline II helix	trans	-60	142.6	172.6	0	0	0	0	0	110.6	F464 C521	A403-F464 VanDerWaalsContact CA-CE2 3.49Å; A403-F464 HydrophobicContact CB-CD2 3.87Å; A403-F464 HydrophobicContact CB-CE1 4.33Å; A403-F464 HydrophobicContact CB-CE2 3.69Å; A403-F464 HydrophobicContact CB-CG 4.27Å; A403-F464 HydrophobicContact CB-CZ 3.89Å; A403-C521 HydrophobicContact CB-CB 4.11Å; A403-C521 WeakPolarHBondContact CB-O 3.39Å
404	P	88.2	Confident	86.9	Confident	22 Å²	22	30.1 Å²	30.1	14%	0.143	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-61.7	145	-179	26.6	-34.1	0	0	0	110.4	C603 F610	P404-C603 VanDerWaalsContact CG-SG 3.51Å; P404-F610 HydrophobicContact CB-CB 4.29Å; P404-F610 HydrophobicContact CB-CD1 4.1Å; P404-F610 HydrophobicContact CB-CD2 3.52Å; P404-F610 HydrophobicContact CB-CE1 4.36Å; P404-F610 HydrophobicContact CB-CE2 3.8Å; P404-F610 HydrophobicContact CB-CG 3.71Å; P404-F610 HydrophobicContact CB-CZ 4.23Å; P404-F610 HydrophobicContact CG-CD1 4.11Å; P404-F610 HydrophobicContact CG-CD2 4.05Å; P404-F610 HydrophobicContact CG-CE1 3.93Å; P404-F610 HydrophobicContact CG-CE2 3.86Å; P404-F610 HydrophobicContact CG-CG 4.19Å; P404-F610 HydrophobicContact CG-CZ 3.81Å
405	L	87.4	Confident	86.5	Confident	44 Å²	44	36 Å²	36	23%	0.23	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-78	143.6	175.3	-64.9	-175.6	0	0	0	110.3	N408 P519 C521 F610	L405-N408 VanDerWaalsContact C-OD1 3.28Å; L405-N408 WeakPolarHBondContact CB-OD1 3.48Å; L405-N408 PolarHBondContact O-OD1 2.93Å; L405-P519 HydrophobicContact CD1-CB 4.11Å; L405-P519 HydrophobicContact CD1-CG 4.27Å; L405-P519 HydrophobicContact CD2-CB 3.86Å; L405-P519 WeakPolarHBondContact CD2-O 3.31Å; L405-C521 HydrophobicContact CD2-CB 4.23Å; L405-F610 WeakPolarHBondContact O-CB 3.4Å
406	F	84	Confident	86	Confident	1 Å²	1	36.9 Å²	36.9	0%	0.004	19%	0.192	C	C	.	.	S	Bend	trans	-95.5	-41.8	178.7	-67.5	-79.9	0	0	0	110.3	P252 T254 L255 C521 T536 W563 I612	P252-F406 HydrophobicContact CB-CB 4.45Å; P252-F406 HydrophobicContact CB-CD1 3.27Å; P252-F406 HydrophobicContact CB-CE1 3.63Å; P252-F406 HydrophobicContact CB-CG 3.95Å; P252-F406 HydrophobicContact CG-CD1 3.68Å; P252-F406 HydrophobicContact CG-CD2 4.47Å; P252-F406 HydrophobicContact CG-CE1 3.78Å; P252-F406 HydrophobicContact CG-CG 4.03Å; P252-F406 HydrophobicContact CG-CZ 4.24Å; T254-F406 WeakPolarHBondContact OG1-CD1 2.96Å; T254-F406 WeakPolarHBondContact OG1-CE1 3.15Å; L255-F406 HydrophobicContact CD1-CE1 3.81Å; L255-F406 HydrophobicContact CD1-CZ 3.64Å; L255-F406 HydrophobicContact CG-CE1 3.9Å; L255-F406 HydrophobicContact CG-CZ 4.09Å; F406-C521 WeakPolarHBondContact CE2-SG 3.43Å; F406-T536 HydrophobicContact CD2-CG2 3.52Å; F406-T536 HydrophobicContact CE2-CG2 3.13Å; F406-T536 HydrophobicContact CG-CG2 4.42Å; F406-T536 HydrophobicContact CZ-CG2 3.74Å; F406-W563 HydrophobicContact CB-CH2 3.93Å; F406-W563 HydrophobicContact CB-CZ3 4.13Å; F406-I612 HydrophobicContact CB-CD1 4.1Å; F406-I612 WeakPolarHBondContact O-CD1 3.38Å; F406-I612 WeakPolarHBondContact O-CG1 3.26Å
407	L	84.1	Confident	85.6	Confident	10 Å²	10	37.1 Å²	37.1	5%	0.052	19%	0.194	C	C	.	.			trans	-109.3	109.3	169.9	-64.9	170.7	0	0	0	109	T412 I413 F416 Q538 F561 W563 I612	L407-T412 HydrophobicContact CD2-CG2 4.38Å; L407-I413 HydrophobicContact CB-CD1 4.35Å; L407-I413 HydrophobicContact CB-CG1 3.87Å; L407-F416 HydrophobicContact CD2-CD2 4.44Å; L407-F416 HydrophobicContact CD2-CE2 4.03Å; L407-Q538 VanDerWaalsContact N-OE1 3.08Å; L407-Q538 PolarHBondContact O-NE2 3.21Å; L407-F561 HydrophobicContact CD1-CD1 4.33Å; L407-F561 HydrophobicContact CD1-CD2 3.61Å; L407-F561 HydrophobicContact CD1-CE1 4.45Å; L407-F561 HydrophobicContact CD1-CE2 3.75Å; L407-F561 HydrophobicContact CD1-CG 3.94Å; L407-F561 HydrophobicContact CD1-CZ 4.19Å; L407-W563 HydrophobicContact CD1-CH2 3.87Å; L407-W563 HydrophobicContact CD1-CZ2 3.91Å; L407-W563 HydrophobicContact CG-CH2 4.02Å; L407-W563 HydrophobicContact CG-CZ2 4.1Å; L407-I612 HydrophobicContact CD2-CD1 3.78Å; L407-I612 HydrophobicContact CG-CD1 4.18Å
408	N	79.5	Confident	85.1	Confident	78 Å²	78	43.2 Å²	43.2	42%	0.417	22%	0.22	S	C	.	.			trans	-100.4	-27.9	-174.8	-57.3	-8.9	0	0	0	112.6	L405 F610 N611	L405-N408 VanDerWaalsContact C-OD1 3.28Å; L405-N408 WeakPolarHBondContact CB-OD1 3.48Å; L405-N408 PolarHBondContact O-OD1 2.93Å; N408-F610 PolarHBondContact ND2-O 2.74Å; N408-N611 PolarHBondContact ND2-OD1 3.27Å
409	N	82.3	Confident	84.6	Confident	75 Å²	75	48.1 Å²	48.1	40%	0.401	25%	0.245	S	C	.	.			trans	-86.1	121	-175.4	-176.3	3.2	0	0	0	110.5	D411 T412 I413	N409-D411 VanDerWaalsContact C-N 3.28Å; N409-D411 PolarHBondContact O-N 3Å; N409-D411 PolarHBondContact OD1-N 2.9Å; N409-D411 VanDerWaalsContact OD1-N 3.13Å; N409-T412 WeakPolarHBondContact CB-OG1 3.32Å; N409-T412 PolarHBondContact ND2-OG1 3.31Å; N409-T412 VanDerWaalsContact ND2-OG1 3.11Å; N409-T412 PolarHBondContact O-N 2.98Å; N409-I413 WeakPolarHBondContact O-CG1 3.44Å; N409-I413 PolarHBondContact O-N 2.88Å
410	H	82.6	Confident	84.2	Confident	95 Å²	95	48.6 Å²	48.6	44%	0.44	25%	0.249	S	C	.	.	H	α-helix	trans	-60.1	-38.9	179.8	-168.8	16.1	0	0	0	112.1	T412 I413 Q414	H410-T412 VanDerWaalsContact C-N 3.31Å; H410-T412 PolarHBondContact O-N 3.5Å; H410-I413 WeakPolarHBondContact O-CB 3.4Å; H410-I413 PolarHBondContact O-N 2.93Å; H410-Q414 PolarHBondContact CE1-NE2 3.29Å; H410-Q414 PolarHBondContact NE2-NE2 2.67Å; H410-Q414 WeakPolarHBondContact O-CG 3.32Å; H410-Q414 PolarHBondContact O-N 2.9Å
411	D	82.9	Confident	84.1	Confident	91 Å²	91	52.9 Å²	52.9	49%	0.487	28%	0.277	S	S	.	.	H	α-helix	trans	-62.4	-41.3	178	-71.2	-14.9	0	0	0	111.3	N409 Q414 K415	N409-D411 VanDerWaalsContact C-N 3.28Å; N409-D411 PolarHBondContact O-N 3Å; N409-D411 PolarHBondContact OD1-N 2.9Å; N409-D411 VanDerWaalsContact OD1-N 3.13Å; D411-Q414 PolarHBondContact O-N 2.74Å; D411-K415 WeakPolarHBondContact O-CB 3.28Å; D411-K415 WeakPolarHBondContact O-CG 3.18Å; D411-K415 PolarHBondContact O-N 3.43Å
412	T	83.2	Confident	84.1	Confident	11 Å²	11	51.6 Å²	51.6	7%	0.067	27%	0.269	C	S	.	.	H	α-helix	trans	-65.9	-47	178.4	-48.7	0	0	0	0	109.7	L407 N409 H410 Q414 K415 F416 E614 I617	L407-T412 HydrophobicContact CD2-CG2 4.38Å; N409-T412 WeakPolarHBondContact CB-OG1 3.32Å; N409-T412 PolarHBondContact ND2-OG1 3.31Å; N409-T412 VanDerWaalsContact ND2-OG1 3.11Å; N409-T412 PolarHBondContact O-N 2.98Å; H410-T412 VanDerWaalsContact C-N 3.31Å; H410-T412 PolarHBondContact O-N 3.5Å; T412-Q414 VanDerWaalsContact C-N 3.34Å; T412-Q414 PolarHBondContact O-N 2.8Å; T412-K415 PolarHBondContact O-N 3.45Å; T412-F416 HydrophobicContact CG2-CD2 3.6Å; T412-F416 HydrophobicContact CG2-CE2 3.44Å; T412-F416 VanDerWaalsContact CG2-CE2 3.44Å; T412-F416 WeakPolarHBondContact O-CB 3.23Å; T412-F416 WeakPolarHBondContact O-CD2 3.48Å; T412-F416 PolarHBondContact O-N 2.94Å; T412-E614 PolarHBondContact OG1-OE1 3.37Å; T412-I617 HydrophobicContact CG2-CD1 4.23Å
413	I	85	Confident	84	Confident	6 Å²	6	50.6 Å²	50.6	3%	0.031	26%	0.262	C	S	.	.	H	α-helix	trans	-54.7	-47.6	173.9	-71.9	168.7	0	0	0	111.4	L407 N409 H410 S417 P519 P558 F561	L407-I413 HydrophobicContact CB-CD1 4.35Å; L407-I413 HydrophobicContact CB-CG1 3.87Å; N409-I413 WeakPolarHBondContact O-CG1 3.44Å; N409-I413 PolarHBondContact O-N 2.88Å; H410-I413 WeakPolarHBondContact O-CB 3.4Å; H410-I413 PolarHBondContact O-N 2.93Å; I413-S417 VanDerWaalsContact O-CB 3.3Å; I413-S417 WeakPolarHBondContact O-CB 3.32Å; I413-S417 PolarHBondContact O-N 3.13Å; I413-S417 PolarHBondContact O-OG 3.06Å; I413-P519 HydrophobicContact CD1-CG 4.32Å; I413-P558 HydrophobicContact CG2-CB 3.56Å; I413-F561 HydrophobicContact CB-CE2 4.48Å; I413-F561 HydrophobicContact CG1-CE2 4.37Å; I413-F561 HydrophobicContact CG2-CE2 4.08Å
414	Q	84.8	Confident	83.8	Confident	51 Å²	51	52.4 Å²	52.4	24%	0.238	27%	0.273	C	S	.	.	H	α-helix	trans	-66.4	-46.5	-179.8	-73.2	-174.2	10.9	0	0	112	H410 D411 T412 F416 S417 K418	H410-Q414 PolarHBondContact CE1-NE2 3.29Å; H410-Q414 PolarHBondContact NE2-NE2 2.67Å; H410-Q414 WeakPolarHBondContact O-CG 3.32Å; H410-Q414 PolarHBondContact O-N 2.9Å; D411-Q414 PolarHBondContact O-N 2.74Å; T412-Q414 VanDerWaalsContact C-N 3.34Å; T412-Q414 PolarHBondContact O-N 2.8Å; Q414-F416 VanDerWaalsContact C-N 3.3Å; Q414-F416 PolarHBondContact O-N 2.75Å; Q414-S417 PolarHBondContact O-N 3.12Å; Q414-K418 WeakPolarHBondContact O-CG 3.2Å; Q414-K418 PolarHBondContact O-N 3.19Å
415	K	82.9	Confident	83.7	Confident	125 Å²	125	56 Å²	56	54%	0.543	30%	0.304	S	S	.	.	H	α-helix	trans	-55.8	-47.3	176.6	-76.1	169.9	-174.4	174.3	0	110.7	D411 T412 K418 I419	D411-K415 WeakPolarHBondContact O-CB 3.28Å; D411-K415 WeakPolarHBondContact O-CG 3.18Å; D411-K415 PolarHBondContact O-N 3.43Å; T412-K415 PolarHBondContact O-N 3.45Å; K415-K418 PolarHBondContact O-N 2.82Å; K415-I419 WeakPolarHBondContact O-CG1 3.48Å; K415-I419 PolarHBondContact O-N 3.31Å; K415-I419 VanDerWaalsContact O-N 3.12Å
416	F	81.9	Confident	83.6	Confident	23 Å²	23	56.1 Å²	56.1	10%	0.101	31%	0.309	C	S	.	.	H	α-helix	trans	-62.5	-45.6	177	-85.5	-60.1	0	0	0	113.6	L407 T412 Q414 K418 I419 A420 F561 I617 L620	L407-F416 HydrophobicContact CD2-CD2 4.44Å; L407-F416 HydrophobicContact CD2-CE2 4.03Å; T412-F416 HydrophobicContact CG2-CD2 3.6Å; T412-F416 HydrophobicContact CG2-CE2 3.44Å; T412-F416 VanDerWaalsContact CG2-CE2 3.44Å; T412-F416 WeakPolarHBondContact O-CB 3.23Å; T412-F416 WeakPolarHBondContact O-CD2 3.48Å; T412-F416 PolarHBondContact O-N 2.94Å; Q414-F416 VanDerWaalsContact C-N 3.3Å; Q414-F416 PolarHBondContact O-N 2.75Å; F416-K418 PolarHBondContact O-N 2.74Å; F416-I419 PolarHBondContact O-N 3.25Å; F416-A420 WeakPolarHBondContact O-CB 3.5Å; F416-A420 PolarHBondContact O-N 2.84Å; F416-F561 HydrophobicContact CB-CE1 3.88Å; F416-F561 HydrophobicContact CB-CZ 3.68Å; F416-I617 HydrophobicContact CD1-CG2 4.37Å; F416-I617 HydrophobicContact CE1-CB 4.07Å; F416-I617 HydrophobicContact CE1-CD1 4.29Å; F416-I617 HydrophobicContact CE1-CG1 4.14Å; F416-I617 HydrophobicContact CE1-CG2 3.39Å; F416-I617 HydrophobicContact CE2-CD1 3.54Å; F416-I617 HydrophobicContact CE2-CG1 3.97Å; F416-I617 HydrophobicContact CZ-CB 3.76Å; F416-I617 HydrophobicContact CZ-CD1 3.38Å; F416-I617 HydrophobicContact CZ-CG1 3.31Å; F416-I617 HydrophobicContact CZ-CG2 3.53Å; F416-L620 HydrophobicContact CD1-CD1 4.37Å; F416-L620 HydrophobicContact CE1-CD1 3.4Å; F416-L620 VanDerWaalsContact CE1-CD1 3.4Å; F416-L620 HydrophobicContact CZ-CD1 3.75Å
417	S	85.5	Confident	83.8	Confident	6 Å²	6	56.4 Å²	56.4	4%	0.042	31%	0.31	C	S	.	.	H	α-helix	trans	-59.6	-35.2	179.2	-61.5	0	0	0	0	111.7	I413 Q414 K559	I413-S417 VanDerWaalsContact O-CB 3.3Å; I413-S417 WeakPolarHBondContact O-CB 3.32Å; I413-S417 PolarHBondContact O-N 3.13Å; I413-S417 PolarHBondContact O-OG 3.06Å; Q414-S417 PolarHBondContact O-N 3.12Å; S417-K559 WeakPolarHBondContact O-CE 3.4Å; S417-K559 PolarHBondContact O-NZ 2.66Å; S417-K559 PolarHBondContact OG-N 3.46Å
418	K	82.8	Confident	83.9	Confident	127 Å²	127	58 Å²	58	55%	0.552	33%	0.329	S	S	*	.	H	α-helix	trans	-72	-39.9	176.2	-71.9	176	-176.6	178.1	0	113	Q414 K415 F416 P555	Q414-K418 WeakPolarHBondContact O-CG 3.2Å; Q414-K418 PolarHBondContact O-N 3.19Å; K415-K418 PolarHBondContact O-N 2.82Å; F416-K418 PolarHBondContact O-N 2.74Å; K418-P555 WeakPolarHBondContact CE-O 3.22Å
419	I	81.4	Confident	84.3	Confident	103 Å²	103	60.7 Å²	60.7	53%	0.528	35%	0.351	S	S	.	.	H	α-helix	trans	-75.2	-39.8	-177.5	-66.6	165.3	0	0	0	111.6	K415 F416 T421	K415-I419 WeakPolarHBondContact O-CG1 3.48Å; K415-I419 PolarHBondContact O-N 3.31Å; K415-I419 VanDerWaalsContact O-N 3.12Å; F416-I419 PolarHBondContact O-N 3.25Å; I419-T421 PolarHBondContact O-N 3.06Å
420	A	81.6	Confident	84.7	Confident	11 Å²	11	60 Å²	60	9%	0.091	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-72	125.9	-173	0	0	0	0	0	112	V246 F416 K559	V246-A420 HydrophobicContact CB-CB 4.14Å; V246-A420 HydrophobicContact CG1-CB 3.58Å; V246-A420 HydrophobicContact CG2-CB 3.4Å; V246-A420 VanDerWaalsContact CG2-CB 3.4Å; F416-A420 WeakPolarHBondContact O-CB 3.5Å; F416-A420 PolarHBondContact O-N 2.84Å; A420-K559 PolarHBondContact O-NZ 3.12Å
421	T	81.8	Confident	85.1	Confident	115 Å²	115	58 Å²	58	71%	0.706	34%	0.342	S	S	*	.	P	Polyproline II helix	trans	-93.5	136.7	172.8	52.5	0	0	0	0	110.3	I419	I419-T421 PolarHBondContact O-N 3.06Å
422	L	86.4	Confident	85.6	Confident	20 Å²	20	54 Å²	54	11%	0.105	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-88.8	152.8	172.8	-66.2	178.2	0	0	0	110	S240 L241 T245 V246 V424 Y547 K559	S240-L422 WeakPolarHBondContact OG-CD2 3.46Å; L241-L422 HydrophobicContact CD2-CB 3.8Å; L241-L422 HydrophobicContact CD2-CD1 4.37Å; T245-L422 VanDerWaalsContact O-CD2 3.28Å; T245-L422 WeakPolarHBondContact O-CD2 3.08Å; V246-L422 HydrophobicContact CG2-CD2 4.37Å; L422-V424 HydrophobicContact CB-CG2 4.4Å; L422-V424 PolarHBondContact O-N 3.01Å; L422-Y547 HydrophobicContact CD1-CD2 4.33Å; L422-Y547 HydrophobicContact CD1-CE1 4.4Å; L422-Y547 HydrophobicContact CD1-CE2 3.39Å; L422-Y547 VanDerWaalsContact CD1-CZ 3.45Å; L422-Y547 VanDerWaalsContact CD1-OH 3.28Å; L422-Y547 WeakPolarHBondContact CD1-OH 3.49Å; L422-K559 HydrophobicContact CD1-CD 4.44Å; L422-K559 HydrophobicContact CG-CD 4.41Å
423	P	87.1	Confident	86.1	Confident	43 Å²	43	54.2 Å²	54.2	28%	0.279	32%	0.322	S	S	.	.			trans	-78.2	45.5	-170.7	32.7	-36.8	0	0	0	113.6	A237 L241 A425 S426	A237-P423 HydrophobicContact CB-CB 3.95Å; A237-P423 HydrophobicContact CB-CG 3.62Å; L241-P423 HydrophobicContact CG-CG 4.43Å; P423-A425 VanDerWaalsContact C-N 3.31Å; P423-A425 PolarHBondContact O-N 2.85Å; P423-S426 WeakPolarHBondContact O-CB 2.72Å; P423-S426 PolarHBondContact O-N 3.25Å; P423-S426 PolarHBondContact O-OG 3.4Å
424	V	85.2	Confident	86.5	Confident	44 Å²	44	56.8 Å²	56.8	27%	0.267	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-58.1	-41.7	-177.8	-175.8	0	0	0	0	111.7	L241 L422 S426 F427 Y547	L241-V424 HydrophobicContact CD2-CB 4.49Å; L241-V424 HydrophobicContact CD2-CG2 3.63Å; L422-V424 HydrophobicContact CB-CG2 4.4Å; L422-V424 PolarHBondContact O-N 3.01Å; V424-S426 VanDerWaalsContact C-N 3.25Å; V424-S426 PolarHBondContact O-N 3.29Å; V424-F427 PolarHBondContact O-N 3.4Å; V424-Y547 HydrophobicContact CG2-CD1 4.18Å; V424-Y547 HydrophobicContact CG2-CD2 4.25Å; V424-Y547 HydrophobicContact CG2-CG 3.73Å
425	A	85	Confident	86.9	Confident	96 Å²	96	56.5 Å²	56.5	79%	0.793	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-64	-29	-178.1	0	0	0	0	0	113.2	P423 F427 G428	P423-A425 VanDerWaalsContact C-N 3.31Å; P423-A425 PolarHBondContact O-N 2.85Å; A425-F427 PolarHBondContact O-N 2.97Å; A425-F427 VanDerWaalsContact O-N 3.11Å; A425-G428 PolarHBondContact O-N 3.44Å
426	S	85.8	Confident	87.5	Confident	48 Å²	48	51.4 Å²	51.4	34%	0.336	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-64.8	-17.2	-177	73.6	0	0	0	0	114	K234 P423 V424	K234-S426 VanDerWaalsContact CE-O 3.31Å; K234-S426 WeakPolarHBondContact CE-O 3.06Å; K234-S426 PolarHBondContact NZ-O 2.96Å; P423-S426 WeakPolarHBondContact O-CB 2.72Å; P423-S426 PolarHBondContact O-N 3.25Å; P423-S426 PolarHBondContact O-OG 3.4Å; V424-S426 VanDerWaalsContact C-N 3.25Å; V424-S426 PolarHBondContact O-N 3.29Å
427	F	88.2	Confident	88	Confident	7 Å²	7	52.2 Å²	52.2	3%	0.031	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-87.1	-22.6	-179.6	-77.2	-96.8	0	0	0	113.3	K234 A237 Q238 L241 V424 A425 M430 P432	K234-F427 HydrophobicContact CB-CE1 3.69Å; K234-F427 HydrophobicContact CB-CE2 4.1Å; K234-F427 HydrophobicContact CB-CZ 3.36Å; K234-F427 HydrophobicContact CG-CD1 4.15Å; K234-F427 HydrophobicContact CG-CE1 3.67Å; K234-F427 HydrophobicContact CG-CE2 4.36Å; K234-F427 HydrophobicContact CG-CZ 3.76Å; A237-F427 HydrophobicContact CB-CE2 4.08Å; Q238-F427 VanDerWaalsContact CA-CZ 3.4Å; Q238-F427 HydrophobicContact CB-CE1 4.14Å; Q238-F427 HydrophobicContact CB-CZ 3.66Å; Q238-F427 HydrophobicContact CG-CE1 3.96Å; Q238-F427 HydrophobicContact CG-CZ 3.95Å; L241-F427 HydrophobicContact CD1-CD2 3.34Å; L241-F427 HydrophobicContact CD1-CE2 3.29Å; L241-F427 HydrophobicContact CD1-CG 4.17Å; L241-F427 HydrophobicContact CD1-CZ 4.06Å; L241-F427 HydrophobicContact CG-CE2 4.33Å; V424-F427 PolarHBondContact O-N 3.4Å; A425-F427 PolarHBondContact O-N 2.97Å; A425-F427 VanDerWaalsContact O-N 3.11Å; F427-M430 HydrophobicContact CD1-CB 4.4Å; F427-M430 HydrophobicContact CD1-CG 4.49Å; F427-M430 HydrophobicContact CD1-SD 4.48Å; F427-M430 WeakPolarHBondContact O-CB 3.45Å; F427-M430 PolarHBondContact O-N 3.48Å; F427-P432 HydrophobicContact CD1-CG 4.39Å; F427-P432 HydrophobicContact CE1-CB 4.45Å
428	G	86.3	Confident	88.4	Confident	44 Å²	44	55.5 Å²	55.5	45%	0.454	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.8	-123.7	-173	0	0	0	0	0	111.4	A425 K548	A425-G428 PolarHBondContact O-N 3.44Å; G428-K548 WeakPolarHBondContact O-CE 3.49Å; G428-K548 PolarHBondContact O-NZ 3.3Å
429	P	88	Confident	88.9	Confident	134 Å²	134	51 Å²	51	87%	0.87	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-17.1	177.5	32.6	-35.1	0	0	0	114.1
430	M	89.9	Confident	89.4	Confident	61 Å²	61	49.7 Å²	49.7	30%	0.3	32%	0.321	S	S	.	.	S	Bend	trans	-62.9	137.7	-176.1	-167.7	-178.6	-72.8	0	0	111.2	K234 F427 I434 K548	K234-M430 HydrophobicContact CG-SD 4.18Å; F427-M430 HydrophobicContact CD1-CB 4.4Å; F427-M430 HydrophobicContact CD1-CG 4.49Å; F427-M430 HydrophobicContact CD1-SD 4.48Å; F427-M430 WeakPolarHBondContact O-CB 3.45Å; F427-M430 PolarHBondContact O-N 3.48Å; M430-I434 HydrophobicContact CE-CD1 4.47Å; M430-I434 HydrophobicContact CG-CB 4.42Å; M430-I434 HydrophobicContact CG-CD1 3.93Å; M430-I434 HydrophobicContact CG-CG2 4.03Å; M430-I434 HydrophobicContact SD-CD1 4.11Å; M430-I434 HydrophobicContact SD-CG2 3.95Å; M430-K548 PolarHBondContact O-NZ 3.17Å
431	S	91.2	Very high	89.8	Confident	52 Å²	52	53.6 Å²	53.6	36%	0.364	33%	0.333	S	S	.	.			trans	-76.8	137.4	172	-178	0	0	0	0	110	L433 I434	S431-L433 PolarHBondContact O-N 3.02Å; S431-L433 VanDerWaalsContact O-N 3.15Å; S431-L433 PolarHBondContact OG-N 3.45Å; S431-I434 WeakPolarHBondContact O-CB 3.4Å; S431-I434 VanDerWaalsContact O-CG2 3.24Å; S431-I434 WeakPolarHBondContact O-CG2 3.39Å; S431-I434 PolarHBondContact O-N 3.45Å; S431-I434 VanDerWaalsContact O-N 3.15Å
432	P	92.7	Very high	90.2	Very high	8 Å²	8	49.1 Å²	49.1	5%	0.052	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-19.7	169.9	-23.4	34.8	0	0	0	113.6	Q238 L241 L242 W380 F427 I434	Q238-P432 WeakPolarHBondContact CG-O 3.33Å; Q238-P432 PolarHBondContact NE2-O 3.2Å; L241-P432 HydrophobicContact CB-CB 4.49Å; L241-P432 HydrophobicContact CD1-CG 4.18Å; L242-P432 HydrophobicContact CD2-CB 4.17Å; W380-P432 HydrophobicContact CZ2-CB 4.27Å; W380-P432 HydrophobicContact CZ2-CG 4.19Å; F427-P432 HydrophobicContact CD1-CG 4.39Å; F427-P432 HydrophobicContact CE1-CB 4.45Å; P432-I434 PolarHBondContact O-N 3Å
433	L	94.1	Very high	90.2	Very high	15 Å²	15	51.7 Å²	51.7	8%	0.079	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-0.9	178.6	-57.6	176.4	0	0	0	113.7	L224 L242 W380 I387 S431 L436	L224-L433 HydrophobicContact CD1-CB 4Å; L224-L433 HydrophobicContact CD1-CD1 3.89Å; L224-L433 HydrophobicContact CD1-CD2 3.9Å; L224-L433 HydrophobicContact CD1-CG 4.16Å; L242-L433 HydrophobicContact CD2-CD2 3.84Å; W380-L433 HydrophobicContact CD2-CD2 3.86Å; W380-L433 HydrophobicContact CD2-CG 4.5Å; W380-L433 HydrophobicContact CE3-CD1 3.86Å; W380-L433 HydrophobicContact CE3-CD2 3.85Å; W380-L433 HydrophobicContact CE3-CG 4.11Å; W380-L433 HydrophobicContact CG-CD2 4.28Å; W380-L433 HydrophobicContact CH2-CD1 4.4Å; W380-L433 HydrophobicContact CH2-CG 4.25Å; W380-L433 HydrophobicContact CZ3-CD1 3.71Å; W380-L433 HydrophobicContact CZ3-CD2 4.22Å; W380-L433 HydrophobicContact CZ3-CG 3.98Å; I387-L433 HydrophobicContact CD1-CD2 3.7Å; I387-L433 HydrophobicContact CG1-CD2 4.47Å; S431-L433 PolarHBondContact O-N 3.02Å; S431-L433 VanDerWaalsContact O-N 3.15Å; S431-L433 PolarHBondContact OG-N 3.45Å; L433-L436 HydrophobicContact CD2-CD1 4.06Å
434	I	93.4	Very high	90.3	Very high	60 Å²	60	55.1 Å²	55.1	31%	0.308	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	154.6	173.6	-164.1	166.5	0	0	0	110.6	Q238 M430 S431 P432 L436	Q238-I434 PolarHBondContact NE2-O 3.12Å; M430-I434 HydrophobicContact CE-CD1 4.47Å; M430-I434 HydrophobicContact CG-CB 4.42Å; M430-I434 HydrophobicContact CG-CD1 3.93Å; M430-I434 HydrophobicContact CG-CG2 4.03Å; M430-I434 HydrophobicContact SD-CD1 4.11Å; M430-I434 HydrophobicContact SD-CG2 3.95Å; S431-I434 WeakPolarHBondContact O-CB 3.4Å; S431-I434 VanDerWaalsContact O-CG2 3.24Å; S431-I434 WeakPolarHBondContact O-CG2 3.39Å; S431-I434 PolarHBondContact O-N 3.45Å; S431-I434 VanDerWaalsContact O-N 3.15Å; P432-I434 PolarHBondContact O-N 3Å; I434-L436 PolarHBondContact O-N 2.87Å
435	D	93.4	Very high	90.4	Very high	45 Å²	45	56.8 Å²	56.8	24%	0.241	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.8	-13.6	-179.8	-48.2	-43.5	0	0	0	116.5	R230 R231 F232 S233	R230-D435 VanDerWaalsContact CD-O 3.32Å; R230-D435 WeakPolarHBondContact CD-O 3.33Å; R231-D435 WeakPolarHBondContact O-CB 3.46Å; F232-D435 HydrophobicContact CD1-CB 4.14Å; S233-D435 VanDerWaalsContact CB-OD2 3.31Å; S233-D435 WeakPolarHBondContact CB-OD2 3.27Å; S233-D435 PolarHBondContact N-OD2 3.39Å; S233-D435 PolarHBondContact OG-OD1 2.86Å; S233-D435 PolarHBondContact OG-OD2 3.36Å
436	L	95.1	Very high	90.6	Very high	17 Å²	17	53.2 Å²	53.2	9%	0.089	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-71.1	141.6	167.8	-57.2	178.4	0	0	0	110.5	L224 F226 F232 L242 I387 L433 I434	L224-L436 HydrophobicContact CB-CB 3.99Å; L224-L436 HydrophobicContact CB-CD1 4.03Å; L224-L436 HydrophobicContact CD1-CD1 4.2Å; F226-L436 HydrophobicContact CB-CD2 4.06Å; F226-L436 HydrophobicContact CD2-CD2 4.27Å; F232-L436 HydrophobicContact CE1-CD2 4.05Å; F232-L436 HydrophobicContact CZ-CD2 4.32Å; L242-L436 HydrophobicContact CD1-CD1 4.49Å; I387-L436 HydrophobicContact CD1-CD1 4.05Å; I387-L436 HydrophobicContact CG1-CD1 4.31Å; I387-L436 HydrophobicContact CG2-CD1 4.28Å; L433-L436 HydrophobicContact CD2-CD1 4.06Å; I434-L436 PolarHBondContact O-N 2.87Å
437	T	93.7	Very high	90.7	Very high	41 Å²	41	51.6 Å²	51.6	25%	0.252	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	128.2	-178.4	-56.2	0	0	0	0	110.1	L224 I225 R230	L224-T437 CarbonylContact C-O 3.5Å; L224-T437 WeakPolarHBondContact CA-O 3.44Å; I225-T437 HydrophobicContact CG2-CG2 4.32Å; I225-T437 WeakPolarHBondContact CG2-O 3.47Å; I225-T437 PolarHBondContact N-O 2.9Å; I225-T437 PolarHBondContact O-N 3.44Å; R230-T437 PolarHBondContact NE-OG1 2.67Å; R230-T437 PolarHBondContact NH2-OG1 3.36Å
438	S	94.2	Very high	90.5	Very high	74 Å²	74	52 Å²	52	52%	0.517	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	130.9	173	-176	0	0	0	0	110.4	P222	P222-S438 VanDerWaalsContact CB-OG 3.29Å; P222-S438 WeakPolarHBondContact CB-OG 3.49Å
439	T	92.8	Very high	90.3	Very high	34 Å²	34	51.5 Å²	51.5	21%	0.209	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	140.6	179.1	-179.6	0	0	0	0	112.1	P222 S223 I225 Y441 Y442	P222-T439 WeakPolarHBondContact CA-O 3.34Å; S223-T439 PolarHBondContact N-O 2.95Å; S223-T439 PolarHBondContact O-N 3.49Å; I225-T439 HydrophobicContact CB-CG2 4.03Å; I225-T439 HydrophobicContact CG2-CG2 3.96Å; T439-Y441 VanDerWaalsContact C-N 3.35Å; T439-Y441 PolarHBondContact OG1-N 3.47Å; T439-Y441 PolarHBondContact OG1-O 2.92Å; T439-Y442 WeakPolarHBondContact O-CD1 3.47Å
440	L	91.7	Very high	89.8	Confident	75 Å²	75	49.6 Å²	49.6	39%	0.393	26%	0.262	S	S	.	.	S	Bend	trans	-94.4	2.2	168	-65.3	169.8	0	0	0	112.1	H217 C220 P222	H217-L440 PolarHBondContact N-O 3.1Å; H217-L440 WeakPolarHBondContact O-CD2 3.04Å; C220-L440 WeakPolarHBondContact O-CD2 3.24Å; P222-L440 HydrophobicContact CB-CD2 3.85Å; P222-L440 HydrophobicContact CB-CG 4.36Å
441	Y	90.6	Very high	88.9	Confident	92 Å²	92	51.7 Å²	51.7	36%	0.361	27%	0.274	S	S	.	.	B	Isolated β-bridge	trans	-111.5	102	178.1	-173.7	-95.3	0	0	0	109.2	L210 D213 R215 T439	L210-Y441 HydrophobicContact CD2-CD2 3.78Å; L210-Y441 HydrophobicContact CD2-CE2 3.7Å; D213-Y441 PolarHBondContact OD2-OH 3.41Å; R215-Y441 HydrophobicContact CB-CD2 4.01Å; R215-Y441 HydrophobicContact CB-CE1 4.44Å; R215-Y441 HydrophobicContact CB-CE2 3.75Å; R215-Y441 HydrophobicContact CB-CG 4.49Å; R215-Y441 PolarHBondContact NE-OH 3.07Å; R215-Y441 PolarHBondContact NH1-OH 2.96Å; R215-Y441 PolarHBondContact NH2-OH 3.43Å; R215-Y441 CarbonylContact O-C 3.53Å; R215-Y441 VanDerWaalsContact O-CA 3.24Å; R215-Y441 WeakPolarHBondContact O-CA 3.45Å; T439-Y441 VanDerWaalsContact C-N 3.35Å; T439-Y441 PolarHBondContact OG1-N 3.47Å; T439-Y441 PolarHBondContact OG1-O 2.92Å
442	Y	89.9	Confident	87.7	Confident	22 Å²	22	55.9 Å²	55.9	9%	0.086	29%	0.288	C	S	.	.			trans	-156.2	163.4	-178.3	57	-97.2	0	0	0	110.2	R215 H217 E221 S223 T439	R215-Y442 CarbonylContact C-O 3.45Å; R215-Y442 WeakPolarHBondContact CA-O 3.39Å; R215-Y442 WeakPolarHBondContact CB-O 3.42Å; R215-Y442 PolarHBondContact O-N 2.82Å; H217-Y442 HydrophobicContact CB-CE1 4.3Å; H217-Y442 AromaticContact CD2-CD2 3.73Å; H217-Y442 AromaticContact CD2-CE1 3.96Å; H217-Y442 AromaticContact CD2-CE2 3.48Å; H217-Y442 VanDerWaalsContact CD2-CE2 3.48Å; H217-Y442 WeakPolarHBondContact CD2-CE2 3.23Å; H217-Y442 AromaticContact CD2-CZ 3.63Å; H217-Y442 PolarHBondContact CD2-O 2.67Å; H217-Y442 AromaticContact CG-CZ 3.92Å; H217-Y442 AromaticContact NE2-CD2 3.94Å; H217-Y442 AromaticContact NE2-CE2 3.8Å; H217-Y442 PolarHBondContact NE2-O 3.24Å; E221-Y442 PolarHBondContact O-OH 2.7Å; S223-Y442 VanDerWaalsContact CB-CD1 3.43Å; T439-Y442 WeakPolarHBondContact O-CD1 3.47Å
443	R	86.9	Confident	86.2	Confident	74 Å²	74	60.3 Å²	60.3	28%	0.279	32%	0.319	S	S	.	.			trans	-92.4	136.1	177.5	-175.8	172.1	-177.4	176.2	-4	110.4	R215 E375 R386 D445 T447	R215-R443 HydrophobicContact CG-CB 4.45Å; E375-R443 WeakPolarHBondContact OE2-CD 3.25Å; E375-R443 IonicContact OE2-CZ 2.72Å; E375-R443 IonicContact OE2-NE 2.83Å; E375-R443 IonicContact OE2-NH1 3.98Å; E375-R443 PolarHBondContact OE2-NH1 2.72Å; R386-R443 PolarHBondContact NH2-O 3.03Å; R443-D445 WeakPolarHBondContact CD-OD1 3.4Å; R443-D445 WeakPolarHBondContact CG-OD1 3.25Å; R443-D445 IonicContact CZ-OD1 3.92Å; R443-D445 IonicContact CZ-OD2 3.47Å; R443-D445 VanDerWaalsContact CZ-OD2 3.23Å; R443-D445 IonicContact NE-OD1 3.03Å; R443-D445 PolarHBondContact NE-OD1 2.87Å; R443-D445 IonicContact NE-OD2 3Å; R443-D445 PolarHBondContact NE-OD2 3.23Å; R443-D445 IonicContact NH2-OD1 3.54Å; R443-D445 IonicContact NH2-OD2 3.06Å; R443-D445 PolarHBondContact NH2-OD2 3.05Å; R443-T447 VanDerWaalsContact CZ-CG2 3.42Å
444	E	87.3	Confident	84.9	Confident	114 Å²	114	65 Å²	65	53%	0.533	34%	0.341	S	S	.	.	S	Bend	trans	-73.2	-35.2	-179.3	-80.7	-171.6	177.6	0	0	113.6	H217 F377 R386	H217-E444 VanDerWaalsContact CE1-CG 3.41Å; H217-E444 WeakPolarHBondContact CE1-CG 3.45Å; H217-E444 IonicContact CE1-OE1 3.21Å; H217-E444 PolarHBondContact CE1-OE1 2.87Å; H217-E444 IonicContact ND1-OE1 2.74Å; H217-E444 PolarHBondContact ND1-OE1 3.33Å; F377-E444 WeakPolarHBondContact CE1-O 3.3Å; F377-E444 WeakPolarHBondContact CZ-O 3.47Å; R386-E444 PolarHBondContact NH2-O 2.72Å
445	D	87.6	Confident	83.2	Confident	79 Å²	79	70.7 Å²	70.7	42%	0.422	37%	0.372	S	S	.	.	S	Bend	trans	-89.5	157.7	178.9	57.3	-44.8	0	0	0	112.9	R443	R443-D445 WeakPolarHBondContact CD-OD1 3.4Å; R443-D445 WeakPolarHBondContact CG-OD1 3.25Å; R443-D445 IonicContact CZ-OD1 3.92Å; R443-D445 IonicContact CZ-OD2 3.47Å; R443-D445 VanDerWaalsContact CZ-OD2 3.23Å; R443-D445 IonicContact NE-OD1 3.03Å; R443-D445 PolarHBondContact NE-OD1 2.87Å; R443-D445 IonicContact NE-OD2 3Å; R443-D445 PolarHBondContact NE-OD2 3.23Å; R443-D445 IonicContact NH2-OD1 3.54Å; R443-D445 IonicContact NH2-OD2 3.06Å; R443-D445 PolarHBondContact NH2-OD2 3.05Å
446	S	89.9	Confident	81.6	Confident	21 Å²	21	79.3 Å²	79.3	15%	0.147	40%	0.401	C	S	.	.			trans	-96.4	140.2	171.4	-76.6	0	0	0	0	110	E375 T376 R507	E375-S446 CarbonylContact O-C 3.56Å; E375-S446 WeakPolarHBondContact O-CA 3.4Å; T376-S446 WeakPolarHBondContact CA-OG 3.39Å; T376-S446 PolarHBondContact OG1-OG 3.16Å; S446-R507 WeakPolarHBondContact OG-CD 3.47Å; S446-R507 PolarHBondContact OG-NH1 3.4Å
447	T	87.4	Confident	80.3	Confident	15 Å²	15	89.5 Å²	89.5	9%	0.092	44%	0.438	C	S	.	.	B	Isolated β-bridge	trans	-128.5	135.2	169.4	77.1	0	0	0	0	110	E375 R443 G449	E375-T447 PolarHBondContact N-O 3.13Å; E375-T447 PolarHBondContact O-N 3.43Å; E375-T447 VanDerWaalsContact O-O 3.08Å; R443-T447 VanDerWaalsContact CZ-CG2 3.42Å; T447-G449 PolarHBondContact O-N 2.67Å
448	N	84.9	Confident	79.6	Confident	14 Å²	14	90.6 Å²	90.6	8%	0.075	44%	0.438	C	S	.	.	S	Bend	trans	-84.6	10.5	171.1	66.6	8.9	0	0	0	112.2	R372 W450 I463 A504 S508	R372-N448 WeakPolarHBondContact CD-O 3.29Å; R372-N448 PolarHBondContact NH1-O 2.97Å; N448-W450 PolarHBondContact OD1-N 2.86Å; N448-W450 VanDerWaalsContact OD1-N 3.09Å; N448-I463 HydrophobicContact CB-CD1 4.3Å; N448-A504 HydrophobicContact CB-CB 4.14Å; N448-S508 WeakPolarHBondContact ND2-CB 3.37Å; N448-S508 PolarHBondContact ND2-OG 3.49Å
449	G	80.8	Confident	78.9	Confident	34 Å²	34	89.4 Å²	89.4	35%	0.351	43%	0.433	S	S	.	.	S	Bend	trans	98.6	-6.7	-172.9	0	0	0	0	0	114.4	L373 T447	L373-G449 VanDerWaalsContact O-CA 3.23Å; L373-G449 WeakPolarHBondContact O-CA 3.34Å; T447-G449 PolarHBondContact O-N 2.67Å
450	W	79.1	Confident	78.6	Confident	94 Å²	94	88.1 Å²	88.1	36%	0.356	42%	0.424	S	S	.	.	S	Bend	trans	-117.9	144.9	174.9	-59.1	102.9	0	0	0	111.3	T369 N448 Y458	T369-W450 HydrophobicContact CG2-CH2 4.38Å; T369-W450 HydrophobicContact CG2-CZ2 3.85Å; N448-W450 PolarHBondContact OD1-N 2.86Å; N448-W450 VanDerWaalsContact OD1-N 3.09Å; W450-Y458 HydrophobicContact CD2-CD1 4.38Å; W450-Y458 HydrophobicContact CD2-CG 4.32Å; W450-Y458 AromaticContact CE2-CD1 3.83Å; W450-Y458 AromaticContact CE2-CE1 3.78Å; W450-Y458 HydrophobicContact CE3-CD2 4.5Å; W450-Y458 AromaticContact CH2-CD2 3.98Å; W450-Y458 HydrophobicContact CH2-CD2 3.98Å; W450-Y458 HydrophobicContact CH2-CE1 4.32Å; W450-Y458 AromaticContact CH2-CE2 3.57Å; W450-Y458 HydrophobicContact CH2-CE2 3.57Å; W450-Y458 AromaticContact CH2-CZ 3.77Å; W450-Y458 AromaticContact CZ2-CD1 3.98Å; W450-Y458 HydrophobicContact CZ2-CD1 3.98Å; W450-Y458 HydrophobicContact CZ2-CD2 4.07Å; W450-Y458 AromaticContact CZ2-CE1 3.53Å; W450-Y458 HydrophobicContact CZ2-CE1 3.53Å; W450-Y458 AromaticContact CZ2-CE2 3.65Å; W450-Y458 HydrophobicContact CZ2-CE2 3.65Å; W450-Y458 HydrophobicContact CZ2-CG 4.22Å; W450-Y458 AromaticContact CZ2-CZ 3.35Å; W450-Y458 HydrophobicContact CZ3-CD2 4.21Å; W450-Y458 HydrophobicContact CZ3-CE2 4.23Å; W450-Y458 AromaticContact NE1-CD1 3.9Å; W450-Y458 AromaticContact NE1-CE1 3.93Å
451	L	70.9	Confident	78.3	Confident	106 Å²	106	87.4 Å²	87.4	56%	0.555	42%	0.424	S	S	*	.			trans	-80.8	118.1	175.8	-66.8	170.1	0	0	0	109.6	S453 Q454	L451-S453 PolarHBondContact O-N 3.34Å; L451-Q454 HydrophobicContact CB-CG 4Å
452	E	64.6	Low	78.3	Confident	139 Å²	139	84.5 Å²	84.5	65%	0.65	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-26.8	178	-64.2	-176.6	172.3	0	0	112.8	Q454 S508	E452-Q454 PolarHBondContact O-N 3.09Å; E452-Q454 VanDerWaalsContact O-N 3.13Å; E452-S508 WeakPolarHBondContact OE1-CA 3.38Å
453	S	62.2	Low	78.4	Confident	102 Å²	102	83.5 Å²	83.5	71%	0.713	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	7.5	-175.4	57.5	0	0	0	0	115.1	L451	L451-S453 PolarHBondContact O-N 3.34Å
454	Q	65.8	Low	78.7	Confident	114 Å²	114	80.1 Å²	80.1	53%	0.533	40%	0.397	S	S	.	.			trans	-87.5	131.3	179.3	-63.3	-64.9	-30.1	0	0	111.1	L451 E452 R456	L451-Q454 HydrophobicContact CB-CG 4Å; E452-Q454 PolarHBondContact O-N 3.09Å; E452-Q454 VanDerWaalsContact O-N 3.13Å; Q454-R456 PolarHBondContact O-N 3.06Å
455	N	57.7	Low	79	Confident	178 Å²	178	74.7 Å²	74.7	95%	0.952	37%	0.372	S	S	*	.	S	Bend	trans	-55.5	-25.7	178.2	-77.6	-15.8	0	0	0	113.5
456	R	60.3	Low	79.3	Confident	226 Å²	226	71 Å²	71	85%	0.853	35%	0.352	S	S	*	.	S	Bend	trans	-102.8	107.6	178.8	-167.7	175.4	-175.4	178.1	1.4	109.7	Q454 Y458	Q454-R456 PolarHBondContact O-N 3.06Å; R456-Y458 PolarHBondContact O-N 3.22Å
457	R	68.9	Low	79.4	Confident	232 Å²	232	70 Å²	70	88%	0.875	35%	0.345	S	S	*	.			trans	-59.5	133.7	169.2	-69.2	-174.7	179	-178.3	-1.1	109.6
458	Y	77.4	Confident	79.4	Confident	63 Å²	63	69.6 Å²	69.6	25%	0.247	34%	0.342	C	S	.	.			trans	-64.6	134.6	175.1	-174.4	-116.8	0	0	0	110	W367 M398 W450 R456 F460	W367-Y458 PolarHBondContact NE1-OH 2.86Å; M398-Y458 HydrophobicContact CG-CE1 4.42Å; W450-Y458 HydrophobicContact CD2-CD1 4.38Å; W450-Y458 HydrophobicContact CD2-CG 4.32Å; W450-Y458 AromaticContact CE2-CD1 3.83Å; W450-Y458 AromaticContact CE2-CE1 3.78Å; W450-Y458 HydrophobicContact CE3-CD2 4.5Å; W450-Y458 AromaticContact CH2-CD2 3.98Å; W450-Y458 HydrophobicContact CH2-CD2 3.98Å; W450-Y458 HydrophobicContact CH2-CE1 4.32Å; W450-Y458 AromaticContact CH2-CE2 3.57Å; W450-Y458 HydrophobicContact CH2-CE2 3.57Å; W450-Y458 AromaticContact CH2-CZ 3.77Å; W450-Y458 AromaticContact CZ2-CD1 3.98Å; W450-Y458 HydrophobicContact CZ2-CD1 3.98Å; W450-Y458 HydrophobicContact CZ2-CD2 4.07Å; W450-Y458 AromaticContact CZ2-CE1 3.53Å; W450-Y458 HydrophobicContact CZ2-CE1 3.53Å; W450-Y458 AromaticContact CZ2-CE2 3.65Å; W450-Y458 HydrophobicContact CZ2-CE2 3.65Å; W450-Y458 HydrophobicContact CZ2-CG 4.22Å; W450-Y458 AromaticContact CZ2-CZ 3.35Å; W450-Y458 HydrophobicContact CZ3-CD2 4.21Å; W450-Y458 HydrophobicContact CZ3-CE2 4.23Å; W450-Y458 AromaticContact NE1-CD1 3.9Å; W450-Y458 AromaticContact NE1-CE1 3.93Å; R456-Y458 PolarHBondContact O-N 3.22Å; Y458-F460 HydrophobicContact CD1-CB 4.17Å; Y458-F460 WeakPolarHBondContact CD1-O 3.45Å; Y458-F460 HydrophobicContact CE1-CB 3.62Å; Y458-F460 HydrophobicContact CE1-CD2 4.42Å; Y458-F460 WeakPolarHBondContact CE1-O 3.47Å; Y458-F460 PolarHBondContact O-N 3.04Å
459	A	80.7	Confident	79.7	Confident	50 Å²	50	69.6 Å²	69.6	41%	0.413	34%	0.343	S	S	.	.	S	Bend	trans	-69.4	-15.4	-171.9	0	0	0	0	0	114	L359 P461	L359-A459 HydrophobicContact CD1-CB 4.47Å; A459-P461 WeakPolarHBondContact O-CD 3.39Å
460	F	86.1	Confident	79.9	Confident	6 Å²	6	68.1 Å²	68.1	3%	0.026	33%	0.328	C	S	.	.			trans	-125.9	72.1	-177.5	-56.4	-90.6	0	0	0	110.3	P364 W367 M398 G399 Q400 Y458 H462	P364-F460 HydrophobicContact CG-CZ 4.36Å; P364-F460 WeakPolarHBondContact O-CE1 3.49Å; P364-F460 WeakPolarHBondContact O-CZ 3.16Å; W367-F460 HydrophobicContact CB-CB 4.22Å; W367-F460 HydrophobicContact CB-CD1 4.15Å; W367-F460 HydrophobicContact CB-CD2 3.68Å; W367-F460 HydrophobicContact CB-CE1 4.46Å; W367-F460 HydrophobicContact CB-CE2 4.04Å; W367-F460 HydrophobicContact CB-CG 3.76Å; W367-F460 HydrophobicContact CB-CZ 4.42Å; W367-F460 HydrophobicContact CD2-CE2 4.45Å; W367-F460 HydrophobicContact CE3-CE2 4.06Å; W367-F460 HydrophobicContact CG-CD2 4.24Å; W367-F460 HydrophobicContact CG-CE2 4.49Å; M398-F460 HydrophobicContact CB-CB 3.8Å; M398-F460 VanDerWaalsContact CE-O 3.3Å; M398-F460 WeakPolarHBondContact CE-O 2.93Å; G399-F460 CarbonylContact O-C 3.59Å; G399-F460 WeakPolarHBondContact O-CA 3.47Å; Q400-F460 HydrophobicContact CB-CD1 4.46Å; Q400-F460 HydrophobicContact CG-CD1 3.47Å; Q400-F460 VanDerWaalsContact CG-CD1 3.47Å; Q400-F460 HydrophobicContact CG-CE1 3.38Å; Q400-F460 HydrophobicContact CG-CZ 4.36Å; Y458-F460 HydrophobicContact CD1-CB 4.17Å; Y458-F460 WeakPolarHBondContact CD1-O 3.45Å; Y458-F460 HydrophobicContact CE1-CB 3.62Å; Y458-F460 HydrophobicContact CE1-CD2 4.42Å; Y458-F460 WeakPolarHBondContact CE1-O 3.47Å; Y458-F460 PolarHBondContact O-N 3.04Å; F460-H462 VanDerWaalsContact C-N 3.31Å; F460-H462 PolarHBondContact O-N 3.17Å
461	P	85.2	Confident	79.7	Confident	60 Å²	60	64.8 Å²	64.8	39%	0.39	32%	0.318	S	S	.	.			trans	-74.9	-18.2	-168.8	29.5	-34.6	0	0	0	113.9	A459	A459-P461 WeakPolarHBondContact O-CD 3.39Å
462	H	90.2	Very high	79.9	Confident	31 Å²	31	61.3 Å²	61.3	14%	0.144	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	126.9	-171.8	-59.9	-72.3	0	0	0	111.9	M398 G399 Q400 T401 F460 F464 Q505 M509	M398-H462 CarbonylContact C-O 3.58Å; M398-H462 VanDerWaalsContact CA-O 3.23Å; M398-H462 WeakPolarHBondContact CA-O 3.48Å; G399-H462 PolarHBondContact N-O 3.41Å; G399-H462 PolarHBondContact O-N 3.47Å; Q400-H462 PolarHBondContact O-CD2 2.92Å; Q400-H462 VanDerWaalsContact O-CD2 3.25Å; T401-H462 VanDerWaalsContact C-CD2 3.44Å; F460-H462 VanDerWaalsContact C-N 3.31Å; F460-H462 PolarHBondContact O-N 3.17Å; H462-F464 PolarHBondContact O-N 3.37Å; H462-Q505 PolarHBondContact ND1-NE2 2.96Å; H462-M509 VanDerWaalsContact CE1-CE 3.45Å; H462-M509 WeakPolarHBondContact CE1-CE 3.28Å; H462-M509 WeakPolarHBondContact ND1-CE 3.46Å
463	I	92.3	Very high	80.3	Confident	1 Å²	1	56.4 Å²	56.4	1%	0.005	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	123.1	171.5	-59.5	170.3	0	0	0	107.4	V396 M398 N448 V466 Q505 V522	V396-I463 HydrophobicContact CG1-CG2 4.01Å; M398-I463 HydrophobicContact CE-CG1 3.75Å; M398-I463 HydrophobicContact SD-CB 4.29Å; M398-I463 HydrophobicContact SD-CG1 3.79Å; N448-I463 HydrophobicContact CB-CD1 4.3Å; I463-V466 HydrophobicContact CG2-CG2 3.53Å; I463-Q505 PolarHBondContact O-OE1 2.9Å; I463-V522 HydrophobicContact CG2-CG1 4.19Å
464	F	92.7	Very high	80.7	Confident	3 Å²	3	54 Å²	54	1%	0.013	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	-60.8	-179.4	-159.6	-70.5	0	0	0	111.1	V397 A403 H462 Q523 C603	V397-F464 WeakPolarHBondContact O-CA 3.43Å; V397-F464 VanDerWaalsContact O-CB 3.28Å; V397-F464 WeakPolarHBondContact O-CB 3.46Å; V397-F464 PolarHBondContact O-N 2.99Å; A403-F464 VanDerWaalsContact CA-CE2 3.49Å; A403-F464 HydrophobicContact CB-CD2 3.87Å; A403-F464 HydrophobicContact CB-CE1 4.33Å; A403-F464 HydrophobicContact CB-CE2 3.69Å; A403-F464 HydrophobicContact CB-CG 4.27Å; A403-F464 HydrophobicContact CB-CZ 3.89Å; H462-F464 PolarHBondContact O-N 3.37Å; F464-Q523 PolarHBondContact O-N 3.26Å; F464-C603 HydrophobicContact CE1-CB 4.43Å; F464-C603 HydrophobicContact CZ-CB 4.31Å; F464-C603 WeakPolarHBondContact CZ-O 3.4Å
465	T	94.1	Very high	80.4	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.006	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	128.6	179.6	-47.6	0	0	0	0	110.4	V396 V397 Q523 V525	V396-T465 CarbonylContact C-O 3.59Å; V396-T465 WeakPolarHBondContact CA-O 3.27Å; V397-T465 PolarHBondContact N-O 2.55Å; V397-T465 PolarHBondContact O-N 2.86Å; V397-T465 VanDerWaalsContact O-N 3.11Å; T465-Q523 CarbonylContact C-O 3.57Å; T465-Q523 VanDerWaalsContact CA-O 3.29Å; T465-Q523 WeakPolarHBondContact CA-O 3.4Å; T465-Q523 HydrophobicContact CG2-CB 4.23Å; T465-V525 HydrophobicContact CG2-CG2 3.95Å
466	V	93.7	Very high	80	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	125.8	174.3	-179.3	0	0	0	0	109	H393 V396 I463 V522 Q523 C524 V525	H393-V466 HydrophobicContact CB-CG1 4.02Å; H393-V466 WeakPolarHBondContact CD2-CG1 3.21Å; H393-V466 VanDerWaalsContact NE2-CG1 3.34Å; H393-V466 WeakPolarHBondContact NE2-CG1 3.43Å; V396-V466 HydrophobicContact CG1-CG2 4.47Å; I463-V466 HydrophobicContact CG2-CG2 3.53Å; V466-V522 HydrophobicContact CG2-CG1 3.89Å; V466-Q523 PolarHBondContact N-O 3.39Å; V466-C524 CarbonylContact O-C 3.57Å; V466-C524 WeakPolarHBondContact O-CA 3.14Å; V466-C524 PolarHBondContact O-SG 3.28Å; V466-V525 PolarHBondContact O-N 3.28Å
467	N	92.1	Very high	79.5	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	132.8	179.4	-45.2	-86	0	0	0	109.5	F332 F336 D394 L395 V525	F332-N467 HydrophobicContact CD2-CB 4.38Å; F332-N467 HydrophobicContact CE2-CB 4.29Å; F332-N467 HydrophobicContact CZ-CB 4.35Å; F336-N467 VanDerWaalsContact CE2-OD1 3.3Å; F336-N467 WeakPolarHBondContact CE2-OD1 3.46Å; F336-N467 WeakPolarHBondContact CZ-OD1 3.32Å; D394-N467 PolarHBondContact N-O 2.71Å; L395-N467 HydrophobicContact CB-CB 4.35Å; L395-N467 WeakPolarHBondContact CD2-ND2 3.39Å; L395-N467 PolarHBondContact N-O 3.49Å; L395-N467 WeakPolarHBondContact O-CA 3.35Å; L395-N467 VanDerWaalsContact O-CB 3.27Å; L395-N467 WeakPolarHBondContact O-CB 3.49Å; L395-N467 PolarHBondContact O-N 3.01Å; L395-N467 PolarHBondContact O-ND2 2.83Å; N467-V525 WeakPolarHBondContact CA-O 3.41Å; N467-V525 VanDerWaalsContact OD1-CB 3.25Å; N467-V525 WeakPolarHBondContact OD1-CB 3.46Å; N467-V525 WeakPolarHBondContact OD1-CG2 3.29Å
468	F	88.7	Confident	78.3	Confident	8 Å²	8	33.4 Å²	33.4	4%	0.035	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	145.4	174.4	61.4	-90.7	0	0	0	110.3	L470 I493 A494 N497 C524 V525 C526 S527	F468-L470 HydrophobicContact CD2-CD2 3.83Å; F468-L470 HydrophobicContact CD2-CG 3.95Å; F468-L470 HydrophobicContact CE2-CD1 4Å; F468-L470 HydrophobicContact CE2-CD2 3.7Å; F468-L470 HydrophobicContact CE2-CG 3.71Å; F468-I493 HydrophobicContact CE2-CB 4.4Å; F468-I493 HydrophobicContact CE2-CG2 3.55Å; F468-I493 HydrophobicContact CZ-CB 4.41Å; F468-I493 HydrophobicContact CZ-CG2 3.7Å; F468-A494 HydrophobicContact CZ-CB 4.19Å; F468-N497 HydrophobicContact CD1-CB 4.42Å; F468-N497 HydrophobicContact CE1-CB 3.84Å; F468-N497 HydrophobicContact CZ-CB 4.48Å; F468-C524 WeakPolarHBondContact CE1-SG 3.16Å; F468-V525 PolarHBondContact N-O 2.91Å; F468-C526 HydrophobicContact CE2-CB 4.16Å; F468-C526 HydrophobicContact CZ-CB 3.98Å; F468-S527 PolarHBondContact O-N 2.85Å
469	S	89.4	Confident	76.9	Confident	13 Å²	13	36.5 Å²	36.5	9%	0.091	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	136.4	175.2	57.1	0	0	0	0	109.2	T328 D394 S527	T328-S469 VanDerWaalsContact CG2-CB 3.49Å; D394-S469 WeakPolarHBondContact OD2-CA 3.25Å; D394-S469 WeakPolarHBondContact OD2-CB 3.16Å; D394-S469 PolarHBondContact OD2-N 2.92Å; D394-S469 PolarHBondContact OD2-OG 2.81Å; S469-S527 WeakPolarHBondContact CA-O 3.49Å
470	L	85	Confident	75.1	Confident	4 Å²	4	36.9 Å²	36.9	2%	0.021	20%	0.196	C	C	.	.			trans	-109.9	149.7	169.2	-69.2	-177.9	0	0	0	109.7	F468 R490 I493 C526 S527	F468-L470 HydrophobicContact CD2-CD2 3.83Å; F468-L470 HydrophobicContact CD2-CG 3.95Å; F468-L470 HydrophobicContact CE2-CD1 4Å; F468-L470 HydrophobicContact CE2-CD2 3.7Å; F468-L470 HydrophobicContact CE2-CG 3.71Å; L470-R490 HydrophobicContact CD1-CB 3.88Å; L470-R490 HydrophobicContact CD1-CG 3.67Å; L470-I493 HydrophobicContact CD1-CD1 3.72Å; L470-I493 HydrophobicContact CD2-CD1 3.95Å; L470-I493 HydrophobicContact CD2-CG2 4.22Å; L470-C526 WeakPolarHBondContact CD1-SG 2.88Å; L470-S527 PolarHBondContact N-O 3.42Å
471	P	76.5	Confident	73.4	Confident	24 Å²	24	45.1 Å²	45.1	16%	0.156	23%	0.234	C	C	.	.			trans	-64.8	149.7	167.3	31.2	-35.8	0	0	0	109.2	V473 V485	P471-V473 WeakPolarHBondContact CB-O 3.28Å; P471-V473 PolarHBondContact O-N 3.16Å; P471-V485 VanDerWaalsContact O-CG2 3.24Å; P471-V485 WeakPolarHBondContact O-CG2 3.4Å
472	N	73.9	Confident	72.3	Confident	33 Å²	33	43.7 Å²	43.7	18%	0.176	23%	0.227	C	C	.	.	S	Bend	trans	-74.9	-9	175.6	-47.9	61.7	0	0	0	111.8	P324 P484 V485 D528	P324-N472 WeakPolarHBondContact CB-OD1 3.41Å; N472-P484 WeakPolarHBondContact O-CA 3.34Å; N472-V485 PolarHBondContact O-N 2.9Å; N472-D528 HydrophobicContact CB-CB 4.4Å; N472-D528 WeakPolarHBondContact ND2-CB 3.44Å; N472-D528 PolarHBondContact ND2-O 2.9Å; N472-D528 PolarHBondContact ND2-OD2 2.66Å; N472-D528 PolarHBondContact OD1-O 3.12Å
473	V	74	Confident	71.4	Confident	35 Å²	35	46.8 Å²	46.8	21%	0.212	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-144.5	145.5	-172.4	-139.8	0	0	0	0	110.1	P471 S475 Y477 A482 D483	P471-V473 WeakPolarHBondContact CB-O 3.28Å; P471-V473 PolarHBondContact O-N 3.16Å; V473-S475 PolarHBondContact O-N 2.93Å; V473-Y477 HydrophobicContact CG2-CE1 4.37Å; V473-A482 HydrophobicContact CB-CB 3.99Å; V473-A482 HydrophobicContact CG1-CB 3.28Å; V473-A482 WeakPolarHBondContact CG1-O 3.39Å; V473-D483 CarbonylContact C-O 3.58Å; V473-D483 WeakPolarHBondContact CA-O 3.46Å; V473-D483 VanDerWaalsContact CG1-C 3.47Å; V473-D483 WeakPolarHBondContact CG1-O 3.41Å
474	W	69.7	Low	70.7	Confident	53 Å²	53	50.2 Å²	50.2	20%	0.201	27%	0.267	C	S	.	.	S	Bend	trans	-78.8	40.1	-177.6	-75.1	119.8	0	0	0	114.7	R230 R231 D483 V485 H489 I493	R230-W474 WeakPolarHBondContact O-CH2 3.44Å; R231-W474 HydrophobicContact CB-CD2 4.28Å; R231-W474 HydrophobicContact CB-CH2 4.06Å; R231-W474 HydrophobicContact CB-CZ2 3.76Å; R231-W474 HydrophobicContact CB-CZ3 4.46Å; R231-W474 HydrophobicContact CG-CZ2 4.02Å; W474-D483 PolarHBondContact N-O 3.36Å; W474-V485 HydrophobicContact CD2-CG2 3.9Å; W474-V485 HydrophobicContact CG-CG2 3.99Å; W474-V485 HydrophobicContact CZ2-CG1 4.39Å; W474-H489 AromaticContact CE2-CG 3.98Å; W474-H489 AromaticContact CE2-ND1 3.68Å; W474-H489 HydrophobicContact CZ2-CB 3.67Å; W474-H489 AromaticContact CZ2-CG 3.61Å; W474-H489 AromaticContact CZ2-ND1 3.81Å; W474-H489 AromaticContact NE1-CE1 3.28Å; W474-H489 PolarHBondContact NE1-CE1 2.94Å; W474-H489 VanDerWaalsContact NE1-CE1 3.28Å; W474-H489 AromaticContact NE1-CG 3.7Å; W474-H489 AromaticContact NE1-ND1 2.95Å; W474-H489 PolarHBondContact NE1-ND1 3.31Å; W474-I493 HydrophobicContact CH2-CD1 3.88Å
475	S	59.9	Low	70.3	Confident	18 Å²	18	50.6 Å²	50.6	13%	0.126	27%	0.27	C	S	.	.	S	Bend	trans	-143	152.9	167.4	77.6	0	0	0	0	110.7	V473 Y477 A482	V473-S475 PolarHBondContact O-N 2.93Å; S475-Y477 PolarHBondContact O-N 2.96Å; S475-A482 WeakPolarHBondContact OG-CB 3.34Å
476	D	50.1	Low	70	Confident	114 Å²	114	53.6 Å²	53.6	61%	0.61	29%	0.285	S	S	*	.			trans	-60.6	99.8	152.4	-76.4	-9	0	0	0	104.4	L478 E479	D476-L478 WeakPolarHBondContact O-CA 3.33Å; D476-L478 WeakPolarHBondContact O-CB 3.47Å; D476-L478 PolarHBondContact O-N 2.86Å; D476-E479 PolarHBondContact O-N 3.47Å
477	Y	49.5	Very low	69.9	Low	35 Å²	35	54.5 Å²	54.5	14%	0.137	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-3.8	-38.8	172	-87.2	-64.1	0	0	0	117.7	P304 H323 P324 V473 S475 E479	P304-Y477 WeakPolarHBondContact CB-O 3.02Å; P304-Y477 VanDerWaalsContact CG-C 3.49Å; P304-Y477 HydrophobicContact CG-CD1 3.5Å; P304-Y477 HydrophobicContact CG-CG 3.76Å; P304-Y477 WeakPolarHBondContact CG-O 3.36Å; H323-Y477 AromaticContact CD2-CD2 3.79Å; H323-Y477 AromaticContact CE1-CD2 3.79Å; H323-Y477 AromaticContact CE1-CE2 3.65Å; H323-Y477 AromaticContact NE2-CD2 3.12Å; H323-Y477 WeakPolarHBondContact NE2-CD2 3.38Å; H323-Y477 AromaticContact NE2-CE2 3.46Å; H323-Y477 WeakPolarHBondContact NE2-CE2 3.5Å; P324-Y477 HydrophobicContact CB-CE2 4.37Å; P324-Y477 WeakPolarHBondContact CB-OH 3.37Å; P324-Y477 HydrophobicContact CG-CE1 4Å; P324-Y477 HydrophobicContact CG-CE2 4.01Å; P324-Y477 VanDerWaalsContact CG-CZ 3.42Å; P324-Y477 WeakPolarHBondContact CG-OH 3.32Å; V473-Y477 HydrophobicContact CG2-CE1 4.37Å; S475-Y477 PolarHBondContact O-N 2.96Å; Y477-E479 PolarHBondContact O-N 2.98Å
478	L	43.2	Very low	70	Confident	149 Å²	149	57.4 Å²	57.4	78%	0.78	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.8	-28.1	169.8	-55.4	177	0	0	0	116.4	D476	D476-L478 WeakPolarHBondContact O-CA 3.33Å; D476-L478 WeakPolarHBondContact O-CB 3.47Å; D476-L478 PolarHBondContact O-N 2.86Å
479	E	47.9	Very low	70.1	Confident	129 Å²	129	57.3 Å²	57.3	60%	0.603	30%	0.304	S	S	*	.			trans	-93.7	137.6	-174	-70.8	-169.5	171.2	0	0	115.3	D476 Y477 E481	D476-E479 PolarHBondContact O-N 3.47Å; Y477-E479 PolarHBondContact O-N 2.98Å; E479-E481 VanDerWaalsContact C-N 3.29Å; E479-E481 PolarHBondContact O-N 3.14Å
480	P	43.6	Very low	70.2	Confident	58 Å²	58	57 Å²	57	38%	0.377	30%	0.301	S	S	.	.	S	Bend	trans	-76.7	4.6	-171.7	26.4	-32.6	0	0	0	117.5	W314	W314-P480 HydrophobicContact CD2-CB 3.7Å; W314-P480 HydrophobicContact CE3-CB 4.34Å; W314-P480 HydrophobicContact CG-CB 4.12Å; W314-P480 VanDerWaalsContact CH2-CA 3.46Å; W314-P480 HydrophobicContact CH2-CB 4.18Å; W314-P480 HydrophobicContact CZ2-CB 3.56Å; W314-P480 WeakPolarHBondContact CZ2-O 3.39Å; W314-P480 HydrophobicContact CZ3-CB 4.48Å; W314-P480 PolarHBondContact NE1-O 2.77Å; W314-P480 VanDerWaalsContact NE1-O 3.14Å
481	E	49.8	Very low	70.7	Confident	179 Å²	179	58 Å²	58	84%	0.836	31%	0.305	S	S	*	.			trans	-134	44.6	-168.1	-65.1	-175.9	177.7	0	0	111.8	E479	E479-E481 VanDerWaalsContact C-N 3.29Å; E479-E481 PolarHBondContact O-N 3.14Å
482	A	61.8	Low	71.6	Confident	29 Å²	29	57 Å²	57	24%	0.24	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-93	118.1	-171.2	0	0	0	0	0	112.1	V473 S475	V473-A482 HydrophobicContact CB-CB 3.99Å; V473-A482 HydrophobicContact CG1-CB 3.28Å; V473-A482 WeakPolarHBondContact CG1-O 3.39Å; S475-A482 WeakPolarHBondContact OG-CB 3.34Å
483	D	71.5	Confident	72.6	Confident	96 Å²	96	55.7 Å²	55.7	51%	0.513	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-75	139.3	172.1	-78	-25.1	0	0	0	111.5	V473 W474	V473-D483 CarbonylContact C-O 3.58Å; V473-D483 WeakPolarHBondContact CA-O 3.46Å; V473-D483 VanDerWaalsContact CG1-C 3.47Å; V473-D483 WeakPolarHBondContact CG1-O 3.41Å; W474-D483 PolarHBondContact N-O 3.36Å
484	P	78.1	Confident	73.6	Confident	73 Å²	73	54 Å²	54	47%	0.474	28%	0.281	S	S	.	.	B	Isolated β-bridge	trans	-63.5	144.6	176.7	28.1	-34.4	0	0	0	111.6	N472 I486	N472-P484 WeakPolarHBondContact O-CA 3.34Å; P484-I486 PolarHBondContact O-N 2.88Å; P484-I486 VanDerWaalsContact O-N 3.12Å
485	V	83.2	Confident	74.9	Confident	11 Å²	11	51.5 Å²	51.5	7%	0.067	27%	0.271	C	S	.	.			trans	-76.1	102.1	174.2	-176.6	0	0	0	0	109.3	P471 N472 W474 H489 R490	P471-V485 VanDerWaalsContact O-CG2 3.24Å; P471-V485 WeakPolarHBondContact O-CG2 3.4Å; N472-V485 PolarHBondContact O-N 2.9Å; W474-V485 HydrophobicContact CD2-CG2 3.9Å; W474-V485 HydrophobicContact CG-CG2 3.99Å; W474-V485 HydrophobicContact CZ2-CG1 4.39Å; V485-H489 HydrophobicContact CG1-CB 3.8Å; V485-R490 HydrophobicContact CG1-CG 3.56Å; V485-R490 PolarHBondContact O-NH1 3.48Å
486	I	89	Confident	76.6	Confident	64 Å²	64	50.6 Å²	50.6	33%	0.328	27%	0.265	S	S	.	.			trans	-68.6	158.8	174.2	63.6	174.7	0	0	0	112.1	P484 E488 H489 R490	P484-I486 PolarHBondContact O-N 2.88Å; P484-I486 VanDerWaalsContact O-N 3.12Å; I486-E488 VanDerWaalsContact C-N 3.28Å; I486-E488 WeakPolarHBondContact CB-OE2 3.3Å; I486-E488 HydrophobicContact CD1-CB 4.31Å; I486-E488 VanDerWaalsContact CD1-OE2 3.3Å; I486-E488 WeakPolarHBondContact CD1-OE2 3.43Å; I486-E488 HydrophobicContact CG1-CB 4.45Å; I486-E488 WeakPolarHBondContact CG1-OE2 3.41Å; I486-E488 PolarHBondContact O-N 3.35Å; I486-H489 WeakPolarHBondContact CG1-CE1 3.38Å; I486-H489 VanDerWaalsContact CG1-ND1 3.28Å; I486-H489 WeakPolarHBondContact CG1-ND1 3.08Å; I486-H489 WeakPolarHBondContact O-CB 3.45Å; I486-H489 PolarHBondContact O-N 2.9Å; I486-R490 PolarHBondContact O-N 3.27Å
487	P	92	Very high	78.8	Confident	20 Å²	20	45.2 Å²	45.2	13%	0.13	24%	0.236	C	C	.	.	H	α-helix	trans	-54.7	-38.6	-177.6	-25.9	35.7	0	0	0	114.5	H489 R490 Y491 N567	P487-H489 VanDerWaalsContact C-N 3.27Å; P487-H489 PolarHBondContact O-N 3.46Å; P487-R490 WeakPolarHBondContact O-CB 3.43Å; P487-R490 PolarHBondContact O-N 2.9Å; P487-Y491 HydrophobicContact CB-CE1 4.3Å; P487-Y491 HydrophobicContact CB-CE2 3.91Å; P487-Y491 WeakPolarHBondContact O-CD1 3.46Å; P487-Y491 WeakPolarHBondContact O-CD2 3.27Å; P487-Y491 PolarHBondContact O-N 3.45Å; P487-N567 HydrophobicContact CB-CB 4.3Å; P487-N567 HydrophobicContact CG-CB 4.18Å; P487-N567 WeakPolarHBondContact CG-OD1 3.34Å
488	E	92.3	Very high	81	Confident	61 Å²	61	43.5 Å²	43.5	29%	0.285	23%	0.23	S	C	.	.	H	α-helix	trans	-60.1	-38	-177.4	-63.2	67.6	-146.7	0	0	111.6	D235 V236 I486 A492	D235-E488 HydrophobicContact CB-CB 3.96Å; V236-E488 WeakPolarHBondContact CG2-O 3.22Å; I486-E488 VanDerWaalsContact C-N 3.28Å; I486-E488 WeakPolarHBondContact CB-OE2 3.3Å; I486-E488 HydrophobicContact CD1-CB 4.31Å; I486-E488 VanDerWaalsContact CD1-OE2 3.3Å; I486-E488 WeakPolarHBondContact CD1-OE2 3.43Å; I486-E488 HydrophobicContact CG1-CB 4.45Å; I486-E488 WeakPolarHBondContact CG1-OE2 3.41Å; I486-E488 PolarHBondContact O-N 3.35Å; E488-A492 PolarHBondContact O-N 3.03Å
489	H	92	Very high	83.5	Confident	5 Å²	5	36.4 Å²	36.4	2%	0.023	19%	0.193	C	C	.	.	H	α-helix	trans	-63.1	-47.1	172.5	-64	146.3	0	0	0	112	R231 D235 W474 V485 I486 P487 Y491 A492 I493	R231-H489 VanDerWaalsContact CZ-CE1 3.47Å; R231-H489 VanDerWaalsContact CZ-NE2 3.32Å; R231-H489 PolarHBondContact NE-CE1 3.42Å; R231-H489 VanDerWaalsContact NE-CE1 3.28Å; R231-H489 PolarHBondContact NE-NE2 3.35Å; R231-H489 PolarHBondContact NH2-NE2 2.92Å; D235-H489 IonicContact OD1-CD2 3.83Å; D235-H489 PolarHBondContact OD1-CD2 3.05Å; D235-H489 IonicContact OD1-NE2 3.75Å; D235-H489 PolarHBondContact OD1-NE2 3.46Å; D235-H489 IonicContact OD2-CD2 3.51Å; W474-H489 AromaticContact CE2-CG 3.98Å; W474-H489 AromaticContact CE2-ND1 3.68Å; W474-H489 HydrophobicContact CZ2-CB 3.67Å; W474-H489 AromaticContact CZ2-CG 3.61Å; W474-H489 AromaticContact CZ2-ND1 3.81Å; W474-H489 AromaticContact NE1-CE1 3.28Å; W474-H489 PolarHBondContact NE1-CE1 2.94Å; W474-H489 VanDerWaalsContact NE1-CE1 3.28Å; W474-H489 AromaticContact NE1-CG 3.7Å; W474-H489 AromaticContact NE1-ND1 2.95Å; W474-H489 PolarHBondContact NE1-ND1 3.31Å; V485-H489 HydrophobicContact CG1-CB 3.8Å; I486-H489 WeakPolarHBondContact CG1-CE1 3.38Å; I486-H489 VanDerWaalsContact CG1-ND1 3.28Å; I486-H489 WeakPolarHBondContact CG1-ND1 3.08Å; I486-H489 WeakPolarHBondContact O-CB 3.45Å; I486-H489 PolarHBondContact O-N 2.9Å; P487-H489 VanDerWaalsContact C-N 3.27Å; P487-H489 PolarHBondContact O-N 3.46Å; H489-Y491 VanDerWaalsContact C-N 3.28Å; H489-Y491 PolarHBondContact O-N 3.46Å; H489-A492 PolarHBondContact O-N 3Å; H489-I493 WeakPolarHBondContact O-CD1 3.32Å; H489-I493 VanDerWaalsContact O-CG1 3.28Å; H489-I493 WeakPolarHBondContact O-CG1 3.47Å; H489-I493 PolarHBondContact O-N 3Å
490	R	92.2	Very high	85.8	Confident	8 Å²	8	30.3 Å²	30.3	3%	0.03	16%	0.164	C	C	.	.	H	α-helix	trans	-63.5	-39.6	-178.5	-55.4	-162	-58.7	-88.7	-5.9	110.6	L470 V485 I486 P487 I493 A494 D533	L470-R490 HydrophobicContact CD1-CB 3.88Å; L470-R490 HydrophobicContact CD1-CG 3.67Å; V485-R490 HydrophobicContact CG1-CG 3.56Å; V485-R490 PolarHBondContact O-NH1 3.48Å; I486-R490 PolarHBondContact O-N 3.27Å; P487-R490 WeakPolarHBondContact O-CB 3.43Å; P487-R490 PolarHBondContact O-N 2.9Å; R490-I493 PolarHBondContact O-N 3.5Å; R490-A494 VanDerWaalsContact O-CB 3.3Å; R490-A494 WeakPolarHBondContact O-CB 3.45Å; R490-A494 PolarHBondContact O-N 3.25Å; R490-D533 WeakPolarHBondContact CB-OD2 3.09Å; R490-D533 IonicContact CZ-OD1 3.99Å; R490-D533 IonicContact CZ-OD2 3.4Å; R490-D533 IonicContact NE-OD1 3.29Å; R490-D533 IonicContact NE-OD2 2.72Å; R490-D533 PolarHBondContact NE-OD2 2.82Å; R490-D533 IonicContact NH2-OD1 2.96Å; R490-D533 PolarHBondContact NH2-OD1 3.16Å; R490-D533 VanDerWaalsContact NH2-OD1 3.12Å; R490-D533 IonicContact NH2-OD2 2.95Å; R490-D533 PolarHBondContact NH2-OD2 3.41Å
491	Y	95	Very high	88.3	Confident	24 Å²	24	27.5 Å²	27.5	9%	0.094	15%	0.146	C	C	.	.	H	α-helix	trans	-62.2	-46.2	174.5	-60.7	-18	0	0	0	112.6	V236 P487 H489 I493 A494 I495 D533 I564 G566 N567	V236-Y491 HydrophobicContact CG2-CD2 4.27Å; P487-Y491 HydrophobicContact CB-CE1 4.3Å; P487-Y491 HydrophobicContact CB-CE2 3.91Å; P487-Y491 WeakPolarHBondContact O-CD1 3.46Å; P487-Y491 WeakPolarHBondContact O-CD2 3.27Å; P487-Y491 PolarHBondContact O-N 3.45Å; H489-Y491 VanDerWaalsContact C-N 3.28Å; H489-Y491 PolarHBondContact O-N 3.46Å; Y491-I493 PolarHBondContact O-N 3.42Å; Y491-A494 PolarHBondContact O-N 3.28Å; Y491-I495 WeakPolarHBondContact O-CG1 3.12Å; Y491-I495 PolarHBondContact O-N 3.12Å; Y491-D533 HydrophobicContact CD1-CB 4.07Å; Y491-D533 HydrophobicContact CE1-CB 3.77Å; Y491-D533 WeakPolarHBondContact CE1-OD1 3.37Å; Y491-I564 HydrophobicContact CD1-CG2 3.54Å; Y491-I564 HydrophobicContact CD2-CD1 4.31Å; Y491-I564 HydrophobicContact CD2-CG2 3.93Å; Y491-I564 HydrophobicContact CE1-CG2 3.6Å; Y491-I564 HydrophobicContact CE2-CG2 3.99Å; Y491-I564 HydrophobicContact CG-CD1 4.16Å; Y491-I564 HydrophobicContact CG-CG2 3.71Å; Y491-G566 VanDerWaalsContact OH-C 3.28Å; Y491-N567 WeakPolarHBondContact OH-CB 3.3Å; Y491-N567 PolarHBondContact OH-N 2.72Å
492	A	94.9	Very high	90.5	Very high	2 Å²	2	19 Å²	19	2%	0.017	11%	0.106	C	C	.	.	H	α-helix	trans	-59.6	-46.9	177.5	0	0	0	0	0	111.3	F232 D235 A239 E488 H489 A494 I495 M496	F232-A492 HydrophobicContact CD2-CB 4.17Å; D235-A492 VanDerWaalsContact C-CB 3.48Å; A239-A492 HydrophobicContact CB-CB 4.1Å; E488-A492 PolarHBondContact O-N 3.03Å; H489-A492 PolarHBondContact O-N 3Å; A492-A494 VanDerWaalsContact C-N 3.34Å; A492-A494 PolarHBondContact O-N 2.95Å; A492-I495 PolarHBondContact O-N 3.26Å; A492-M496 VanDerWaalsContact O-CG 3.31Å; A492-M496 WeakPolarHBondContact O-CG 2.87Å; A492-M496 PolarHBondContact O-N 2.99Å
493	I	94.4	Very high	92.1	Very high	6 Å²	6	17.7 Å²	17.7	3%	0.031	10%	0.095	C	C	.	.	H	α-helix	trans	-63.8	-40.1	177.9	-60.9	161	0	0	0	111.1	F226 F468 L470 W474 H489 R490 Y491 M496 N497	F226-I493 HydrophobicContact CZ-CG1 4.46Å; F226-I493 HydrophobicContact CZ-CG2 4.27Å; F468-I493 HydrophobicContact CE2-CB 4.4Å; F468-I493 HydrophobicContact CE2-CG2 3.55Å; F468-I493 HydrophobicContact CZ-CB 4.41Å; F468-I493 HydrophobicContact CZ-CG2 3.7Å; L470-I493 HydrophobicContact CD1-CD1 3.72Å; L470-I493 HydrophobicContact CD2-CD1 3.95Å; L470-I493 HydrophobicContact CD2-CG2 4.22Å; W474-I493 HydrophobicContact CH2-CD1 3.88Å; H489-I493 WeakPolarHBondContact O-CD1 3.32Å; H489-I493 VanDerWaalsContact O-CG1 3.28Å; H489-I493 WeakPolarHBondContact O-CG1 3.47Å; H489-I493 PolarHBondContact O-N 3Å; R490-I493 PolarHBondContact O-N 3.5Å; Y491-I493 PolarHBondContact O-N 3.42Å; I493-M496 PolarHBondContact O-N 2.79Å; I493-N497 VanDerWaalsContact CG2-ND2 3.32Å; I493-N497 WeakPolarHBondContact CG2-ND2 3.43Å; I493-N497 WeakPolarHBondContact O-CB 3.31Å; I493-N497 PolarHBondContact O-N 2.82Å; I493-N497 PolarHBondContact O-ND2 3.29Å
494	A	95.4	Very high	93.1	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-63.7	-44	177.1	0	0	0	0	0	112.1	F468 R490 Y491 A492 N497 C498 C526 V535	F468-A494 HydrophobicContact CZ-CB 4.19Å; R490-A494 VanDerWaalsContact O-CB 3.3Å; R490-A494 WeakPolarHBondContact O-CB 3.45Å; R490-A494 PolarHBondContact O-N 3.25Å; Y491-A494 PolarHBondContact O-N 3.28Å; A492-A494 VanDerWaalsContact C-N 3.34Å; A492-A494 PolarHBondContact O-N 2.95Å; A494-N497 PolarHBondContact O-N 3.03Å; A494-C498 VanDerWaalsContact O-CB 3.26Å; A494-C498 WeakPolarHBondContact O-CB 3.45Å; A494-C498 PolarHBondContact O-N 3.24Å; A494-C526 HydrophobicContact CB-CB 4.34Å; A494-V535 HydrophobicContact CB-CB 4.18Å; A494-V535 HydrophobicContact CB-CG2 3.64Å
495	I	96.3	Very high	93.8	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-59.6	-48.9	175.1	-70.2	163.9	0	0	0	110.6	V236 A239 T243 V247 Y491 A492 N497 C498 F499 V535 F537 A562 I564	V236-I495 HydrophobicContact CG1-CD1 4.04Å; A239-I495 HydrophobicContact CB-CB 4.2Å; A239-I495 HydrophobicContact CB-CD1 4.47Å; A239-I495 HydrophobicContact CB-CG2 4.11Å; T243-I495 HydrophobicContact CG2-CG2 4.39Å; V247-I495 HydrophobicContact CG1-CD1 4.34Å; V247-I495 HydrophobicContact CG2-CD1 3.77Å; Y491-I495 WeakPolarHBondContact O-CG1 3.12Å; Y491-I495 PolarHBondContact O-N 3.12Å; A492-I495 PolarHBondContact O-N 3.26Å; I495-N497 PolarHBondContact O-N 2.91Å; I495-C498 WeakPolarHBondContact O-CB 3.5Å; I495-C498 PolarHBondContact O-N 3.26Å; I495-F499 WeakPolarHBondContact O-CB 3.17Å; I495-F499 PolarHBondContact O-N 3.02Å; I495-V535 HydrophobicContact CG1-CG1 4.39Å; I495-F537 HydrophobicContact CG2-CD2 4.42Å; I495-F537 HydrophobicContact CG2-CE2 4.17Å; I495-A562 HydrophobicContact CG1-CB 4.26Å; I495-I564 HydrophobicContact CD1-CD1 4.04Å
496	M	96.6	Very high	94.3	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-61	-44.4	-178.5	-68.7	-58.6	-70.5	0	0	111.9	F226 F232 A239 L242 T243 F389 A492 I493 F499 A500	F226-M496 HydrophobicContact CD1-CB 4.32Å; F226-M496 HydrophobicContact CD2-CB 4.31Å; F226-M496 HydrophobicContact CD2-CE 3.99Å; F226-M496 HydrophobicContact CD2-CG 4.17Å; F226-M496 HydrophobicContact CE1-CB 3.84Å; F226-M496 HydrophobicContact CE2-CB 3.85Å; F226-M496 HydrophobicContact CE2-CG 3.73Å; F226-M496 HydrophobicContact CG-CE 4.25Å; F226-M496 HydrophobicContact CZ-CB 3.58Å; F226-M496 HydrophobicContact CZ-CG 3.97Å; F232-M496 HydrophobicContact CE2-CG 3.81Å; F232-M496 HydrophobicContact CE2-SD 4.17Å; F232-M496 HydrophobicContact CZ-CE 4.23Å; F232-M496 HydrophobicContact CZ-CG 4.16Å; F232-M496 HydrophobicContact CZ-SD 4.4Å; A239-M496 HydrophobicContact CB-CG 4.08Å; A239-M496 HydrophobicContact CB-SD 4.07Å; L242-M496 HydrophobicContact CB-CE 4.33Å; L242-M496 HydrophobicContact CB-SD 4.25Å; L242-M496 HydrophobicContact CD1-CE 4.2Å; T243-M496 HydrophobicContact CG2-CE 4.49Å; T243-M496 HydrophobicContact CG2-SD 3.57Å; T243-M496 VanDerWaalsContact CG2-SD 3.57Å; F389-M496 HydrophobicContact CE1-CB 4.24Å; F389-M496 HydrophobicContact CE1-CE 3.81Å; F389-M496 HydrophobicContact CZ-CE 3.71Å; A492-M496 VanDerWaalsContact O-CG 3.31Å; A492-M496 WeakPolarHBondContact O-CG 2.87Å; A492-M496 PolarHBondContact O-N 2.99Å; I493-M496 PolarHBondContact O-N 2.79Å; M496-F499 PolarHBondContact O-N 3.09Å; M496-A500 VanDerWaalsContact O-CB 3.3Å; M496-A500 WeakPolarHBondContact O-CB 3.26Å; M496-A500 PolarHBondContact O-N 2.89Å
497	N	95.4	Very high	94.5	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-70	-37.2	177.9	-80.9	-67	0	0	0	113.3	E391 H393 F468 I493 A494 I495 S501	E391-N497 WeakPolarHBondContact CG-OD1 3.29Å; H393-N497 PolarHBondContact NE2-OD1 3.09Å; F468-N497 HydrophobicContact CD1-CB 4.42Å; F468-N497 HydrophobicContact CE1-CB 3.84Å; F468-N497 HydrophobicContact CZ-CB 4.48Å; I493-N497 VanDerWaalsContact CG2-ND2 3.32Å; I493-N497 WeakPolarHBondContact CG2-ND2 3.43Å; I493-N497 WeakPolarHBondContact O-CB 3.31Å; I493-N497 PolarHBondContact O-N 2.82Å; I493-N497 PolarHBondContact O-ND2 3.29Å; A494-N497 PolarHBondContact O-N 3.03Å; I495-N497 PolarHBondContact O-N 2.91Å; N497-S501 VanDerWaalsContact O-CB 3.27Å; N497-S501 WeakPolarHBondContact O-CB 3.37Å; N497-S501 PolarHBondContact O-N 2.93Å; N497-S501 PolarHBondContact O-OG 3.13Å
498	C	96	Very high	94.3	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-59.5	-51.2	171.2	-96.2	0	0	0	0	111.2	A494 I495 S501 A502 C524 F537	A494-C498 VanDerWaalsContact O-CB 3.26Å; A494-C498 WeakPolarHBondContact O-CB 3.45Å; A494-C498 PolarHBondContact O-N 3.24Å; I495-C498 WeakPolarHBondContact O-CB 3.5Å; I495-C498 PolarHBondContact O-N 3.26Å; C498-S501 PolarHBondContact O-N 2.83Å; C498-A502 WeakPolarHBondContact O-CB 3.3Å; C498-A502 PolarHBondContact O-N 3.11Å; C498-C524 WeakPolarHBondContact SG-CB 3.48Å; C498-F537 HydrophobicContact CB-CB 3.52Å; C498-F537 HydrophobicContact CB-CD2 4.14Å; C498-F537 HydrophobicContact CB-CG 3.87Å
499	F	96.9	Very high	94.1	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-59.4	-50.1	178.9	175	-106.1	0	0	0	111.1	T243 Y378 F389 I495 M496 S501 A502 V503 F537 L539 V544	T243-F499 HydrophobicContact CG2-CB 3.77Å; T243-F499 HydrophobicContact CG2-CD1 3.6Å; T243-F499 HydrophobicContact CG2-CD2 4.19Å; T243-F499 HydrophobicContact CG2-CE1 4.2Å; T243-F499 HydrophobicContact CG2-CG 3.58Å; Y378-F499 AromaticContact CD1-CE1 3.72Å; Y378-F499 HydrophobicContact CD1-CE1 3.72Å; Y378-F499 AromaticContact CD2-CE1 3.98Å; Y378-F499 HydrophobicContact CD2-CE1 3.98Å; Y378-F499 HydrophobicContact CD2-CZ 4.08Å; Y378-F499 HydrophobicContact CE1-CD1 4.43Å; Y378-F499 AromaticContact CE1-CE1 3.71Å; Y378-F499 HydrophobicContact CE1-CE1 3.71Å; Y378-F499 AromaticContact CE2-CE1 3.97Å; Y378-F499 HydrophobicContact CE2-CE1 3.97Å; Y378-F499 HydrophobicContact CE2-CZ 4.25Å; Y378-F499 AromaticContact CG-CE1 3.84Å; Y378-F499 HydrophobicContact CG-CE1 3.84Å; Y378-F499 HydrophobicContact CG-CZ 4.19Å; Y378-F499 AromaticContact CZ-CE1 3.82Å; F389-F499 HydrophobicContact CZ-CD1 4.32Å; I495-F499 WeakPolarHBondContact O-CB 3.17Å; I495-F499 PolarHBondContact O-N 3.02Å; M496-F499 PolarHBondContact O-N 3.09Å; F499-S501 VanDerWaalsContact C-N 3.31Å; F499-S501 PolarHBondContact O-N 2.86Å; F499-A502 PolarHBondContact O-N 2.8Å; F499-A502 VanDerWaalsContact O-N 3.16Å; F499-V503 HydrophobicContact CD1-CG2 4.28Å; F499-V503 HydrophobicContact CD2-CG2 4.2Å; F499-V503 HydrophobicContact CE1-CG2 3.91Å; F499-V503 HydrophobicContact CE2-CG2 3.84Å; F499-V503 HydrophobicContact CG-CG2 4.43Å; F499-V503 HydrophobicContact CZ-CG2 3.69Å; F499-V503 WeakPolarHBondContact O-CG2 3.48Å; F499-V503 PolarHBondContact O-N 3.49Å; F499-F537 HydrophobicContact CB-CE1 4.26Å; F499-F537 HydrophobicContact CB-CE2 4.07Å; F499-F537 HydrophobicContact CB-CZ 3.86Å; F499-F537 AromaticContact CD2-CE1 3.92Å; F499-F537 HydrophobicContact CD2-CE1 3.92Å; F499-F537 HydrophobicContact CD2-CE2 4.49Å; F499-F537 AromaticContact CD2-CZ 3.57Å; F499-F537 HydrophobicContact CD2-CZ 3.57Å; F499-F537 HydrophobicContact CG-CZ 4.18Å; F499-L539 HydrophobicContact CD2-CD1 3.93Å; F499-L539 HydrophobicContact CE2-CD1 3.67Å; F499-V544 HydrophobicContact CZ-CG2 4.05Å
500	A	95.9	Very high	93.9	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-60.4	-40.6	178.8	0	0	0	0	0	112	L374 T376 F389 M496 V503 A504	L374-A500 HydrophobicContact CD2-CB 3.62Å; T376-A500 HydrophobicContact CG2-CB 3.97Å; T376-A500 WeakPolarHBondContact CG2-O 3.39Å; F389-A500 HydrophobicContact CB-CB 4.12Å; F389-A500 HydrophobicContact CD1-CB 3.5Å; F389-A500 HydrophobicContact CD2-CB 3.63Å; F389-A500 HydrophobicContact CE1-CB 3.7Å; F389-A500 HydrophobicContact CE2-CB 3.79Å; F389-A500 HydrophobicContact CG-CB 3.47Å; F389-A500 VanDerWaalsContact CG-CB 3.47Å; F389-A500 HydrophobicContact CZ-CB 3.84Å; M496-A500 VanDerWaalsContact O-CB 3.3Å; M496-A500 WeakPolarHBondContact O-CB 3.26Å; M496-A500 PolarHBondContact O-N 2.89Å; A500-V503 PolarHBondContact O-N 3.22Å; A500-A504 WeakPolarHBondContact O-CB 3.28Å; A500-A504 PolarHBondContact O-N 3.48Å
501	S	95.3	Very high	93.8	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-65.9	-40.1	175.8	-62.8	0	0	0	0	112.4	R372 N497 C498 F499 A504 Q505	R372-S501 PolarHBondContact NH2-OG 2.8Å; N497-S501 VanDerWaalsContact O-CB 3.27Å; N497-S501 WeakPolarHBondContact O-CB 3.37Å; N497-S501 PolarHBondContact O-N 2.93Å; N497-S501 PolarHBondContact O-OG 3.13Å; C498-S501 PolarHBondContact O-N 2.83Å; F499-S501 VanDerWaalsContact C-N 3.31Å; F499-S501 PolarHBondContact O-N 2.86Å; S501-A504 PolarHBondContact O-N 2.92Å; S501-Q505 WeakPolarHBondContact O-CB 3.41Å; S501-Q505 PolarHBondContact O-N 3.34Å
502	A	95.7	Very high	93.5	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-66.2	-41.2	175.6	0	0	0	0	0	111.9	C498 F499 Q505 A506 V522 F537 L539	C498-A502 WeakPolarHBondContact O-CB 3.3Å; C498-A502 PolarHBondContact O-N 3.11Å; F499-A502 PolarHBondContact O-N 2.8Å; F499-A502 VanDerWaalsContact O-N 3.16Å; A502-Q505 PolarHBondContact O-N 3.28Å; A502-A506 PolarHBondContact O-N 2.99Å; A502-V522 HydrophobicContact CB-CG2 3.85Å; A502-F537 HydrophobicContact CB-CD1 4.47Å; A502-L539 HydrophobicContact CB-CB 3.87Å; A502-L539 HydrophobicContact CB-CD2 3.87Å; A502-L539 HydrophobicContact CB-CG 4.43Å
503	V	95.5	Very high	93.3	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.006	14%	0.136	C	C	.	.	H	α-helix	trans	-63.2	-45.4	175.1	167.6	0	0	0	0	111.3	F499 A500 Q505 A506 R507 L539 M542	F499-V503 HydrophobicContact CD1-CG2 4.28Å; F499-V503 HydrophobicContact CD2-CG2 4.2Å; F499-V503 HydrophobicContact CE1-CG2 3.91Å; F499-V503 HydrophobicContact CE2-CG2 3.84Å; F499-V503 HydrophobicContact CG-CG2 4.43Å; F499-V503 HydrophobicContact CZ-CG2 3.69Å; F499-V503 WeakPolarHBondContact O-CG2 3.48Å; F499-V503 PolarHBondContact O-N 3.49Å; A500-V503 PolarHBondContact O-N 3.22Å; V503-Q505 VanDerWaalsContact C-N 3.27Å; V503-Q505 PolarHBondContact O-N 3.39Å; V503-A506 PolarHBondContact O-N 3.26Å; V503-R507 WeakPolarHBondContact O-CG 3.26Å; V503-R507 PolarHBondContact O-N 3.38Å; V503-L539 HydrophobicContact CG2-CD2 4.31Å; V503-M542 HydrophobicContact CG1-CE 3.96Å
504	A	93.7	Very high	93.1	Very high	2 Å²	2	24.1 Å²	24.1	2%	0.017	14%	0.142	C	C	.	.	H	α-helix	trans	-61.7	-37.4	175.9	0	0	0	0	0	111.9	L374 T376 N448 A500 S501 S508	L374-A504 HydrophobicContact CD1-CB 3.5Å; L374-A504 VanDerWaalsContact CD1-CB 3.5Å; T376-A504 HydrophobicContact CG2-CB 4.28Å; N448-A504 HydrophobicContact CB-CB 4.14Å; A500-A504 WeakPolarHBondContact O-CB 3.28Å; A500-A504 PolarHBondContact O-N 3.48Å; S501-A504 PolarHBondContact O-N 2.92Å; A504-S508 PolarHBondContact O-N 2.95Å
505	Q	92.7	Very high	92.9	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-67.3	-44.8	174.2	-176.4	169.2	-31.9	0	0	112.1	H462 I463 S501 A502 V503 R507 S508 M509 L520	H462-Q505 PolarHBondContact ND1-NE2 2.96Å; I463-Q505 PolarHBondContact O-OE1 2.9Å; S501-Q505 WeakPolarHBondContact O-CB 3.41Å; S501-Q505 PolarHBondContact O-N 3.34Å; A502-Q505 PolarHBondContact O-N 3.28Å; V503-Q505 VanDerWaalsContact C-N 3.27Å; V503-Q505 PolarHBondContact O-N 3.39Å; Q505-R507 VanDerWaalsContact C-N 3.31Å; Q505-R507 PolarHBondContact O-N 3.05Å; Q505-S508 WeakPolarHBondContact CA-OG 3.43Å; Q505-S508 PolarHBondContact O-N 3.18Å; Q505-S508 PolarHBondContact O-OG 3.06Å; Q505-M509 HydrophobicContact CG-CE 3.71Å; Q505-M509 HydrophobicContact CG-SD 4.48Å; Q505-M509 WeakPolarHBondContact O-CG 3.37Å; Q505-M509 PolarHBondContact O-N 2.72Å; Q505-L520 HydrophobicContact CB-CD1 4.37Å; Q505-L520 HydrophobicContact CG-CD1 4.16Å
506	A	93.4	Very high	92.7	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-57.6	-44.1	176.2	0	0	0	0	0	111.7	A502 V503 M509 G510 I511 L516 L520 L539 M542	A502-A506 PolarHBondContact O-N 2.99Å; V503-A506 PolarHBondContact O-N 3.26Å; A506-M509 CarbonylContact O-C 3.6Å; A506-M509 WeakPolarHBondContact O-CA 3.35Å; A506-M509 WeakPolarHBondContact O-CB 3.45Å; A506-M509 PolarHBondContact O-N 2.83Å; A506-G510 PolarHBondContact O-N 3.15Å; A506-I511 CarbonylContact C-O 3.56Å; A506-I511 HydrophobicContact CB-CB 4.29Å; A506-I511 WeakPolarHBondContact O-CB 3.38Å; A506-I511 PolarHBondContact O-N 3.15Å; A506-L516 HydrophobicContact CB-CD2 4.42Å; A506-L520 HydrophobicContact CB-CD1 3.83Å; A506-L539 HydrophobicContact CB-CD2 4.23Å; A506-M542 HydrophobicContact CB-SD 3.76Å
507	R	92.1	Very high	92.3	Very high	26 Å²	26	36.4 Å²	36.4	10%	0.098	21%	0.207	C	C	.	.	H	α-helix	trans	-64.7	-40.3	176.8	-73.9	179.7	169.4	-157.2	-4.9	113.2	F377 S446 V503 Q505 M509 G510 I511 M542	F377-R507 VanDerWaalsContact CE2-NH2 3.29Å; F377-R507 PolarHBondContact O-NH1 3.26Å; F377-R507 VanDerWaalsContact O-NH1 3.15Å; F377-R507 PolarHBondContact O-NH2 3.49Å; F377-R507 VanDerWaalsContact O-NH2 3.16Å; S446-R507 WeakPolarHBondContact OG-CD 3.47Å; S446-R507 PolarHBondContact OG-NH1 3.4Å; V503-R507 WeakPolarHBondContact O-CG 3.26Å; V503-R507 PolarHBondContact O-N 3.38Å; Q505-R507 VanDerWaalsContact C-N 3.31Å; Q505-R507 PolarHBondContact O-N 3.05Å; R507-M509 PolarHBondContact O-N 3.34Å; R507-M509 VanDerWaalsContact O-N 3.16Å; R507-G510 WeakPolarHBondContact O-CA 3.36Å; R507-G510 PolarHBondContact O-N 2.78Å; R507-I511 VanDerWaalsContact CA-O 3.3Å; R507-I511 WeakPolarHBondContact CA-O 3.33Å; R507-I511 VanDerWaalsContact CG-O 3.3Å; R507-I511 WeakPolarHBondContact CG-O 3.4Å; R507-I511 PolarHBondContact N-O 3.06Å; R507-M542 HydrophobicContact CG-CE 4.27Å
508	S	88.2	Confident	92	Very high	42 Å²	42	44.5 Å²	44.5	29%	0.294	24%	0.242	S	C	.	.	H	α-helix	trans	-64.9	-16.4	173.2	71.8	0	0	0	0	113.9	N448 E452 A504 Q505	N448-S508 WeakPolarHBondContact ND2-CB 3.37Å; N448-S508 PolarHBondContact ND2-OG 3.49Å; E452-S508 WeakPolarHBondContact OE1-CA 3.38Å; A504-S508 PolarHBondContact O-N 2.95Å; Q505-S508 WeakPolarHBondContact CA-OG 3.43Å; Q505-S508 PolarHBondContact O-N 3.18Å; Q505-S508 PolarHBondContact O-OG 3.06Å
509	M	88	Confident	91.9	Very high	85 Å²	85	45.8 Å²	45.8	42%	0.419	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	2.2	171.5	-63.5	175.4	179.5	0	0	112.9	H462 Q505 A506 R507 L520	H462-M509 VanDerWaalsContact CE1-CE 3.45Å; H462-M509 WeakPolarHBondContact CE1-CE 3.28Å; H462-M509 WeakPolarHBondContact ND1-CE 3.46Å; Q505-M509 HydrophobicContact CG-CE 3.71Å; Q505-M509 HydrophobicContact CG-SD 4.48Å; Q505-M509 WeakPolarHBondContact O-CG 3.37Å; Q505-M509 PolarHBondContact O-N 2.72Å; A506-M509 CarbonylContact O-C 3.6Å; A506-M509 WeakPolarHBondContact O-CA 3.35Å; A506-M509 WeakPolarHBondContact O-CB 3.45Å; A506-M509 PolarHBondContact O-N 2.83Å; R507-M509 PolarHBondContact O-N 3.34Å; R507-M509 VanDerWaalsContact O-N 3.16Å; M509-L520 HydrophobicContact CE-CD2 4.19Å; M509-L520 HydrophobicContact SD-CD1 4.28Å; M509-L520 HydrophobicContact SD-CD2 4.06Å
510	G	88.7	Confident	91.7	Very high	60 Å²	60	46.3 Å²	46.3	62%	0.619	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.9	8.6	-179.8	0	0	0	0	0	115.3	A506 R507	A506-G510 PolarHBondContact O-N 3.15Å; R507-G510 WeakPolarHBondContact O-CA 3.36Å; R507-G510 PolarHBondContact O-N 2.78Å
511	I	90.6	Very high	91.7	Very high	53 Å²	53	46.4 Å²	46.4	27%	0.272	25%	0.254	S	S	.	.			trans	-97	113.2	-179.4	-52.6	173.3	0	0	0	109.3	A506 R507 L516 M542	A506-I511 CarbonylContact C-O 3.56Å; A506-I511 HydrophobicContact CB-CB 4.29Å; A506-I511 WeakPolarHBondContact O-CB 3.38Å; A506-I511 PolarHBondContact O-N 3.15Å; R507-I511 VanDerWaalsContact CA-O 3.3Å; R507-I511 WeakPolarHBondContact CA-O 3.33Å; R507-I511 VanDerWaalsContact CG-O 3.3Å; R507-I511 WeakPolarHBondContact CG-O 3.4Å; R507-I511 PolarHBondContact N-O 3.06Å; I511-L516 HydrophobicContact CD1-CG 4.21Å; I511-L516 HydrophobicContact CG2-CD1 4.35Å; I511-L516 HydrophobicContact CG2-CG 4.42Å; I511-M542 HydrophobicContact CG2-SD 4.09Å
512	N	88.8	Confident	91.7	Very high	108 Å²	108	46.4 Å²	46.4	58%	0.578	25%	0.254	S	S	*	.			trans	-101.9	-32.4	-173.2	-72.2	-35.6	0	0	0	115	M542	N512-M542 WeakPolarHBondContact O-CE 3.42Å
513	E	89.9	Confident	91.7	Very high	113 Å²	113	46.4 Å²	46.4	53%	0.528	25%	0.254	S	S	.	.	S	Bend	trans	-156.5	165.7	179.6	58.6	-176.2	-178.1	0	0	109.8	K384	K384-E513 IonicContact NZ-OE2 2.84Å; K384-E513 PolarHBondContact NZ-OE2 3.16Å
514	G	89.9	Confident	91.7	Very high	15 Å²	15	46.3 Å²	46.3	16%	0.155	25%	0.254	C	S	.	.	S	Bend	trans	91.2	-171.6	176.2	0	0	0	0	0	116.7	N541 M542 D543	G514-N541 VanDerWaalsContact C-OD1 3.3Å; G514-N541 PolarHBondContact O-OD1 2.98Å; G514-N541 VanDerWaalsContact O-OD1 3.12Å; G514-M542 PolarHBondContact O-N 3.01Å; G514-D543 WeakPolarHBondContact CA-OD2 3.14Å; G514-D543 PolarHBondContact N-OD1 2.78Å
515	I	91.8	Very high	91.8	Very high	84 Å²	84	46.2 Å²	46.2	43%	0.431	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	133.8	179	-57.1	171	0	0	0	109	P558	I515-P558 HydrophobicContact CD1-CG 4.44Å; I515-P558 HydrophobicContact CG1-CG 4.34Å; I515-P558 HydrophobicContact CG2-CG 3.84Å
516	L	91.9	Very high	91.9	Very high	9 Å²	9	46.2 Å²	46.2	5%	0.047	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	128	177.7	-82.1	68	0	0	0	110.5	A506 I511 K518 L520 L539 N540 M542	A506-L516 HydrophobicContact CB-CD2 4.42Å; I511-L516 HydrophobicContact CD1-CG 4.21Å; I511-L516 HydrophobicContact CG2-CD1 4.35Å; I511-L516 HydrophobicContact CG2-CG 4.42Å; L516-K518 PolarHBondContact O-N 3.18Å; L516-L520 HydrophobicContact CD2-CB 4.35Å; L516-L520 HydrophobicContact CD2-CD1 3.98Å; L516-L520 HydrophobicContact CD2-CG 3.87Å; L516-L539 HydrophobicContact CD1-CD2 4.4Å; L516-L539 HydrophobicContact CD1-CG 4.4Å; L516-L539 HydrophobicContact CD2-CD2 4.02Å; L516-L539 HydrophobicContact CD2-CG 4.2Å; L516-N540 PolarHBondContact N-O 2.96Å; L516-M542 HydrophobicContact CD1-CG 3.82Å; L516-M542 HydrophobicContact CD1-SD 4.34Å
517	D	88.1	Confident	91.8	Very high	166 Å²	166	46.2 Å²	46.2	89%	0.888	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.3	-37.1	171.5	-69.4	-23.7	0	0	0	112.1
518	K	89.6	Confident	91.7	Very high	169 Å²	169	45.7 Å²	45.7	74%	0.735	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.3	117.1	174	-69	-177.1	-179	177.9	0	108.6	L516	L516-K518 PolarHBondContact O-N 3.18Å
519	P	93	Very high	91.7	Very high	27 Å²	27	43.7 Å²	43.7	18%	0.175	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.6	155.6	174.8	-27.9	35.4	0	0	0	112.5	L405 I413 Q538 L539 N540	L405-P519 HydrophobicContact CD1-CB 4.11Å; L405-P519 HydrophobicContact CD1-CG 4.27Å; L405-P519 HydrophobicContact CD2-CB 3.86Å; L405-P519 WeakPolarHBondContact CD2-O 3.31Å; I413-P519 HydrophobicContact CD1-CG 4.32Å; P519-Q538 HydrophobicContact CB-CG 4.01Å; P519-L539 VanDerWaalsContact CA-O 3.26Å; P519-L539 WeakPolarHBondContact CA-O 3.2Å; P519-N540 WeakPolarHBondContact CB-OD1 3Å; P519-N540 WeakPolarHBondContact CG-OD1 3.3Å
520	L	94.1	Very high	91.9	Very high	11 Å²	11	40.1 Å²	40.1	6%	0.058	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	135.2	173.4	-68.7	176.7	0	0	0	109.9	Q505 A506 M509 L516 Q538 L539	Q505-L520 HydrophobicContact CB-CD1 4.37Å; Q505-L520 HydrophobicContact CG-CD1 4.16Å; A506-L520 HydrophobicContact CB-CD1 3.83Å; M509-L520 HydrophobicContact CE-CD2 4.19Å; M509-L520 HydrophobicContact SD-CD1 4.28Å; M509-L520 HydrophobicContact SD-CD2 4.06Å; L516-L520 HydrophobicContact CD2-CB 4.35Å; L516-L520 HydrophobicContact CD2-CD1 3.98Å; L516-L520 HydrophobicContact CD2-CG 3.87Å; L520-Q538 CarbonylContact O-C 3.55Å; L520-Q538 WeakPolarHBondContact O-CA 3.38Å; L520-L539 HydrophobicContact CB-CB 4.43Å; L520-L539 PolarHBondContact N-O 3.36Å; L520-L539 PolarHBondContact O-N 2.88Å
521	C	94.7	Very high	92.1	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.014	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	138.5	174.2	-170.2	0	0	0	0	111.4	A403 L405 F406 F537	A403-C521 HydrophobicContact CB-CB 4.11Å; A403-C521 WeakPolarHBondContact CB-O 3.39Å; L405-C521 HydrophobicContact CD2-CB 4.23Å; F406-C521 WeakPolarHBondContact CE2-SG 3.43Å; C521-F537 CarbonylContact C-O 3.45Å; C521-F537 VanDerWaalsContact CA-O 3.25Å; C521-F537 WeakPolarHBondContact CA-O 3.42Å; C521-F537 PolarHBondContact SG-O 2.96Å
522	V	95.6	Very high	92.3	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	129.8	173.2	178.7	0	0	0	0	108.5	I463 V466 A502 F537	I463-V522 HydrophobicContact CG2-CG1 4.19Å; V466-V522 HydrophobicContact CG2-CG1 3.89Å; A502-V522 HydrophobicContact CB-CG2 3.85Å; V522-F537 PolarHBondContact N-O 3.33Å; V522-F537 PolarHBondContact O-N 3Å
523	Q	95.7	Very high	92.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	154.6	172.2	-64.6	176	-4.2	0	0	110.6	F464 T465 V466 V535 T536 Y600 C603	F464-Q523 PolarHBondContact O-N 3.26Å; T465-Q523 CarbonylContact C-O 3.57Å; T465-Q523 VanDerWaalsContact CA-O 3.29Å; T465-Q523 WeakPolarHBondContact CA-O 3.4Å; T465-Q523 HydrophobicContact CG2-CB 4.23Å; V466-Q523 PolarHBondContact N-O 3.39Å; Q523-V535 CarbonylContact C-O 3.53Å; Q523-V535 WeakPolarHBondContact CA-O 3.3Å; Q523-T536 HydrophobicContact CG-CG2 4.44Å; Q523-Y600 HydrophobicContact CB-CD1 4.09Å; Q523-Y600 HydrophobicContact CB-CE1 4.39Å; Q523-Y600 HydrophobicContact CG-CD1 4.07Å; Q523-Y600 HydrophobicContact CG-CE1 4.28Å; Q523-Y600 PolarHBondContact OE1-O 3.03Å; Q523-C603 PolarHBondContact NE2-SG 2.83Å
524	C	95.4	Very high	92.9	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	140	173.6	170.6	0	0	0	0	111.1	V466 F468 C498 V535	V466-C524 CarbonylContact O-C 3.57Å; V466-C524 WeakPolarHBondContact O-CA 3.14Å; V466-C524 PolarHBondContact O-SG 3.28Å; F468-C524 WeakPolarHBondContact CE1-SG 3.16Å; C498-C524 WeakPolarHBondContact SG-CB 3.48Å; C524-V535 HydrophobicContact CB-CB 4.31Å; C524-V535 PolarHBondContact N-O 3.39Å; C524-V535 PolarHBondContact O-N 3.29Å
525	V	95.9	Very high	93.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	113.2	165.7	-168.6	0	0	0	0	108.6	F332 T465 V466 N467 F468 F532 D533 F534 L597	F332-V525 HydrophobicContact CE1-CB 4.38Å; F332-V525 HydrophobicContact CE1-CG1 3.93Å; F332-V525 HydrophobicContact CZ-CG1 4.36Å; F332-V525 WeakPolarHBondContact CZ-O 2.93Å; T465-V525 HydrophobicContact CG2-CG2 3.95Å; V466-V525 PolarHBondContact O-N 3.28Å; N467-V525 WeakPolarHBondContact CA-O 3.41Å; N467-V525 VanDerWaalsContact OD1-CB 3.25Å; N467-V525 WeakPolarHBondContact OD1-CB 3.46Å; N467-V525 WeakPolarHBondContact OD1-CG2 3.29Å; F468-V525 PolarHBondContact N-O 2.91Å; V525-F532 HydrophobicContact CG1-CD1 3.93Å; V525-D533 WeakPolarHBondContact CA-O 3.46Å; V525-F534 HydrophobicContact CB-CD1 4.49Å; V525-F534 HydrophobicContact CG1-CD1 3.99Å; V525-F534 HydrophobicContact CG1-CE1 3.84Å; V525-F534 HydrophobicContact CG2-CD1 3.87Å; V525-F534 HydrophobicContact CG2-CE1 4.18Å; V525-L597 HydrophobicContact CB-CD1 4.38Å; V525-L597 HydrophobicContact CG1-CD1 4.03Å; V525-L597 HydrophobicContact CG2-CD1 3.77Å
526	C	93.9	Very high	93.4	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	139.4	177.1	174.3	0	0	0	0	109.3	F468 L470 A494 D533	F468-C526 HydrophobicContact CE2-CB 4.16Å; F468-C526 HydrophobicContact CZ-CB 3.98Å; L470-C526 WeakPolarHBondContact CD1-SG 2.88Å; A494-C526 HydrophobicContact CB-CB 4.34Å; C526-D533 HydrophobicContact CB-CB 4.42Å; C526-D533 PolarHBondContact N-O 2.96Å; C526-D533 PolarHBondContact O-N 3.31Å
527	S	93.2	Very high	93.6	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	149.8	178.5	-174.4	0	0	0	0	112.7	T328 F468 S469 L470 G529 Y531	T328-S527 WeakPolarHBondContact CG2-O 3.43Å; F468-S527 PolarHBondContact O-N 2.85Å; S469-S527 WeakPolarHBondContact CA-O 3.49Å; L470-S527 PolarHBondContact N-O 3.42Å; S527-G529 PolarHBondContact OG-N 3.01Å; S527-Y531 VanDerWaalsContact CA-O 3.22Å; S527-Y531 WeakPolarHBondContact CA-O 3.39Å; S527-Y531 VanDerWaalsContact CB-O 3.27Å; S527-Y531 WeakPolarHBondContact CB-O 3.2Å; S527-Y531 PolarHBondContact OG-O 2.82Å
528	D	88.7	Confident	94	Very high	15 Å²	15	14.8 Å²	14.8	8%	0.08	7%	0.068	C	C	.	.	S	Bend	trans	-100.2	12.8	167.4	78.3	-18.1	0	0	0	112.2	T328 N472 V530 Y531	T328-D528 VanDerWaalsContact OG1-C 3.22Å; T328-D528 PolarHBondContact OG1-O 2.97Å; N472-D528 HydrophobicContact CB-CB 4.4Å; N472-D528 WeakPolarHBondContact ND2-CB 3.44Å; N472-D528 PolarHBondContact ND2-O 2.9Å; N472-D528 PolarHBondContact ND2-OD2 2.66Å; N472-D528 PolarHBondContact OD1-O 3.12Å; D528-V530 VanDerWaalsContact C-N 3.32Å; D528-V530 WeakPolarHBondContact OD1-CA 3.3Å; D528-V530 PolarHBondContact OD1-N 3.4Å; D528-Y531 PolarHBondContact N-O 2.9Å; D528-Y531 PolarHBondContact OD1-N 2.7Å
529	G	88.8	Confident	94.3	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	3%	0.033	C	C	.	.	S	Bend	trans	88.2	-8.4	-176.6	0	0	0	0	0	114.2	H294 T328 S527 F571	H294-G529 PolarHBondContact CE1-O 2.83Å; H294-G529 PolarHBondContact NE2-O 3.38Å; T328-G529 WeakPolarHBondContact OG1-CA 3.33Å; T328-G529 PolarHBondContact OG1-N 3.26Å; S527-G529 PolarHBondContact OG-N 3.01Å; G529-F571 WeakPolarHBondContact O-CE1 3.49Å; G529-F571 VanDerWaalsContact O-CZ 3.31Å; G529-F571 WeakPolarHBondContact O-CZ 3.3Å
530	V	91	Very high	94.3	Very high	10 Å²	10	5.6 Å²	5.6	6%	0.061	3%	0.025	C	C	.	.	S	Bend	trans	-126.5	-48.4	179.5	179.1	0	0	0	0	111.1	D528 R569 L570 F571 K573	D528-V530 VanDerWaalsContact C-N 3.32Å; D528-V530 WeakPolarHBondContact OD1-CA 3.3Å; D528-V530 PolarHBondContact OD1-N 3.4Å; V530-R569 HydrophobicContact CG1-CG 3.97Å; V530-L570 PolarHBondContact O-N 3.08Å; V530-F571 HydrophobicContact CB-CZ 4.46Å; V530-F571 WeakPolarHBondContact CG1-O 3.24Å; V530-F571 HydrophobicContact CG2-CE2 4Å; V530-F571 HydrophobicContact CG2-CZ 3.84Å; V530-K573 HydrophobicContact CG2-CB 4.31Å; V530-K573 HydrophobicContact CG2-CD 3.86Å
531	Y	93.4	Very high	94.3	Very high	73 Å²	73	5.3 Å²	5.3	29%	0.286	2%	0.024	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	143.8	174.9	-70.3	-91.3	0	0	0	110.4	S527 D528 N567 Y568 R569	S527-Y531 VanDerWaalsContact CA-O 3.22Å; S527-Y531 WeakPolarHBondContact CA-O 3.39Å; S527-Y531 VanDerWaalsContact CB-O 3.27Å; S527-Y531 WeakPolarHBondContact CB-O 3.2Å; S527-Y531 PolarHBondContact OG-O 2.82Å; D528-Y531 PolarHBondContact N-O 2.9Å; D528-Y531 PolarHBondContact OD1-N 2.7Å; Y531-N567 WeakPolarHBondContact CD1-OD1 3.14Å; Y531-Y568 CarbonylContact C-O 3.5Å; Y531-Y568 VanDerWaalsContact CA-O 3.31Å; Y531-Y568 WeakPolarHBondContact CA-O 3.33Å; Y531-R569 HydrophobicContact CD1-CB 4.09Å; Y531-R569 HydrophobicContact CE1-CB 3.78Å; Y531-R569 HydrophobicContact CE1-CG 4.27Å
532	F	95.5	Very high	94.2	Very high	3 Å²	3	5.5 Å²	5.5	1%	0.013	2%	0.024	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	132.1	177.5	-76.2	-105.9	0	0	0	109.3	L331 F332 L335 V525 F534 Y568 L570 V593	L331-F532 HydrophobicContact CD2-CE2 4.15Å; L331-F532 HydrophobicContact CD2-CZ 3.8Å; L331-F532 HydrophobicContact CG-CZ 4.41Å; F332-F532 HydrophobicContact CD1-CE1 4.2Å; F332-F532 HydrophobicContact CE1-CD1 4.22Å; F332-F532 AromaticContact CE1-CE1 3.66Å; F332-F532 HydrophobicContact CE1-CE1 3.66Å; F332-F532 HydrophobicContact CZ-CE1 4.49Å; L335-F532 HydrophobicContact CD1-CE1 3.95Å; L335-F532 HydrophobicContact CD1-CZ 3.74Å; V525-F532 HydrophobicContact CG1-CD1 3.93Å; F532-F534 HydrophobicContact CB-CE2 4.15Å; F532-F534 HydrophobicContact CB-CZ 4.12Å; F532-Y568 PolarHBondContact N-O 3.11Å; F532-Y568 PolarHBondContact O-N 3.35Å; F532-Y568 VanDerWaalsContact O-N 3.15Å; F532-L570 HydrophobicContact CD2-CB 3.92Å; F532-L570 HydrophobicContact CD2-CD2 4.44Å; F532-L570 HydrophobicContact CE2-CB 3.84Å; F532-L570 HydrophobicContact CE2-CD2 3.62Å; F532-L570 HydrophobicContact CE2-CG 4.33Å; F532-L570 HydrophobicContact CZ-CD2 4.06Å; F532-V593 HydrophobicContact CB-CG1 3.7Å; F532-V593 HydrophobicContact CD2-CG1 4.03Å; F532-V593 HydrophobicContact CG-CG1 3.92Å
533	D	95.7	Very high	94	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	128.8	176.7	-46.8	-60.4	0	0	0	108.9	R490 Y491 V525 C526 N567	R490-D533 WeakPolarHBondContact CB-OD2 3.09Å; R490-D533 IonicContact CZ-OD1 3.99Å; R490-D533 IonicContact CZ-OD2 3.4Å; R490-D533 IonicContact NE-OD1 3.29Å; R490-D533 IonicContact NE-OD2 2.72Å; R490-D533 PolarHBondContact NE-OD2 2.82Å; R490-D533 IonicContact NH2-OD1 2.96Å; R490-D533 PolarHBondContact NH2-OD1 3.16Å; R490-D533 VanDerWaalsContact NH2-OD1 3.12Å; R490-D533 IonicContact NH2-OD2 2.95Å; R490-D533 PolarHBondContact NH2-OD2 3.41Å; Y491-D533 HydrophobicContact CD1-CB 4.07Å; Y491-D533 HydrophobicContact CE1-CB 3.77Å; Y491-D533 WeakPolarHBondContact CE1-OD1 3.37Å; V525-D533 WeakPolarHBondContact CA-O 3.46Å; C526-D533 HydrophobicContact CB-CB 4.42Å; C526-D533 PolarHBondContact N-O 2.96Å; C526-D533 PolarHBondContact O-N 3.31Å; D533-N567 WeakPolarHBondContact OD1-CA 3.37Å; D533-N567 PolarHBondContact OD1-N 2.84Å
534	F	96.1	Very high	93.8	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	121.9	-179.5	-52.9	-87.5	0	0	0	109	V525 F532 D565 Y568 V593 R596 L597 Y600	V525-F534 HydrophobicContact CB-CD1 4.49Å; V525-F534 HydrophobicContact CG1-CD1 3.99Å; V525-F534 HydrophobicContact CG1-CE1 3.84Å; V525-F534 HydrophobicContact CG2-CD1 3.87Å; V525-F534 HydrophobicContact CG2-CE1 4.18Å; F532-F534 HydrophobicContact CB-CE2 4.15Å; F532-F534 HydrophobicContact CB-CZ 4.12Å; F534-D565 WeakPolarHBondContact CA-O 3.35Å; F534-D565 HydrophobicContact CB-CB 4.45Å; F534-D565 VanDerWaalsContact CB-O 3.28Å; F534-D565 WeakPolarHBondContact CB-O 3.49Å; F534-D565 VanDerWaalsContact CD2-O 3.32Å; F534-D565 WeakPolarHBondContact CD2-O 3.39Å; F534-D565 PolarHBondContact N-O 2.89Å; F534-D565 PolarHBondContact O-N 2.99Å; F534-Y568 HydrophobicContact CD2-CD2 4.08Å; F534-Y568 HydrophobicContact CD2-CE2 4.44Å; F534-Y568 AromaticContact CE2-CD2 3.99Å; F534-Y568 HydrophobicContact CE2-CD2 3.99Å; F534-V593 HydrophobicContact CE2-CG1 4.44Å; F534-V593 HydrophobicContact CZ-CG1 4.35Å; F534-R596 HydrophobicContact CD2-CB 4.31Å; F534-R596 HydrophobicContact CE1-CB 4.46Å; F534-R596 HydrophobicContact CE2-CB 3.76Å; F534-R596 HydrophobicContact CZ-CB 3.85Å; F534-L597 HydrophobicContact CE1-CB 3.82Å; F534-L597 HydrophobicContact CE1-CD1 3.8Å; F534-L597 HydrophobicContact CE1-CG 4.42Å; F534-L597 HydrophobicContact CZ-CB 4.09Å; F534-Y600 HydrophobicContact CB-CD1 4.48Å; F534-Y600 HydrophobicContact CB-CD2 4.32Å; F534-Y600 HydrophobicContact CB-CE1 3.86Å; F534-Y600 HydrophobicContact CB-CE2 3.66Å; F534-Y600 VanDerWaalsContact CB-CZ 3.41Å; F534-Y600 WeakPolarHBondContact CB-OH 3.36Å; F534-Y600 HydrophobicContact CD1-CD1 4.48Å; F534-Y600 HydrophobicContact CD1-CD2 4.04Å; F534-Y600 HydrophobicContact CD1-CE2 4.22Å; F534-Y600 HydrophobicContact CD1-CG 4.19Å; F534-Y600 HydrophobicContact CG-CD2 4.35Å; F534-Y600 HydrophobicContact CG-CE2 4.07Å
535	V	95.6	Very high	93.5	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	134.2	179.4	179.4	0	0	0	0	109.1	A494 I495 Q523 C524 W563 I564	A494-V535 HydrophobicContact CB-CB 4.18Å; A494-V535 HydrophobicContact CB-CG2 3.64Å; I495-V535 HydrophobicContact CG1-CG1 4.39Å; Q523-V535 CarbonylContact C-O 3.53Å; Q523-V535 WeakPolarHBondContact CA-O 3.3Å; C524-V535 HydrophobicContact CB-CB 4.31Å; C524-V535 PolarHBondContact N-O 3.39Å; C524-V535 PolarHBondContact O-N 3.29Å; V535-W563 CarbonylContact C-O 3.6Å; V535-W563 WeakPolarHBondContact CA-O 3.43Å; V535-I564 HydrophobicContact CG2-CG1 4.24Å; V535-I564 HydrophobicContact CG2-CG2 4.42Å
536	T	95.4	Very high	93.1	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	125.7	171.6	-61.8	0	0	0	0	108.4	P252 F406 Q523 A562 W563 Y600	P252-T536 HydrophobicContact CG-CG2 4.01Å; F406-T536 HydrophobicContact CD2-CG2 3.52Å; F406-T536 HydrophobicContact CE2-CG2 3.13Å; F406-T536 HydrophobicContact CG-CG2 4.42Å; F406-T536 HydrophobicContact CZ-CG2 3.74Å; Q523-T536 HydrophobicContact CG-CG2 4.44Å; T536-A562 CarbonylContact O-C 3.53Å; T536-A562 VanDerWaalsContact O-CA 3.28Å; T536-A562 WeakPolarHBondContact O-CA 3.48Å; T536-W563 HydrophobicContact CG2-CE3 4.11Å; T536-W563 PolarHBondContact N-O 3.29Å; T536-W563 PolarHBondContact O-N 3.33Å; T536-Y600 WeakPolarHBondContact OG1-CE1 3.35Å; T536-Y600 PolarHBondContact OG1-OH 3.11Å
537	F	96.4	Very high	92.6	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	136.3	-177.4	-169.8	-83.9	0	0	0	110.8	T245 I495 C498 F499 A502 C521 V522 L539 N560 F561 A562	T245-F537 HydrophobicContact CG2-CD2 4.34Å; T245-F537 HydrophobicContact CG2-CE2 3.67Å; T245-F537 HydrophobicContact CG2-CZ 4.34Å; T245-F537 VanDerWaalsContact OG1-CE2 3.29Å; T245-F537 WeakPolarHBondContact OG1-CE2 3.33Å; T245-F537 WeakPolarHBondContact OG1-CZ 3.31Å; I495-F537 HydrophobicContact CG2-CD2 4.42Å; I495-F537 HydrophobicContact CG2-CE2 4.17Å; C498-F537 HydrophobicContact CB-CB 3.52Å; C498-F537 HydrophobicContact CB-CD2 4.14Å; C498-F537 HydrophobicContact CB-CG 3.87Å; F499-F537 HydrophobicContact CB-CE1 4.26Å; F499-F537 HydrophobicContact CB-CE2 4.07Å; F499-F537 HydrophobicContact CB-CZ 3.86Å; F499-F537 AromaticContact CD2-CE1 3.92Å; F499-F537 HydrophobicContact CD2-CE1 3.92Å; F499-F537 HydrophobicContact CD2-CE2 4.49Å; F499-F537 AromaticContact CD2-CZ 3.57Å; F499-F537 HydrophobicContact CD2-CZ 3.57Å; F499-F537 HydrophobicContact CG-CZ 4.18Å; A502-F537 HydrophobicContact CB-CD1 4.47Å; C521-F537 CarbonylContact C-O 3.45Å; C521-F537 VanDerWaalsContact CA-O 3.25Å; C521-F537 WeakPolarHBondContact CA-O 3.42Å; C521-F537 PolarHBondContact SG-O 2.96Å; V522-F537 PolarHBondContact N-O 3.33Å; V522-F537 PolarHBondContact O-N 3Å; F537-L539 HydrophobicContact CD1-CB 4.44Å; F537-L539 HydrophobicContact CE1-CB 3.97Å; F537-L539 HydrophobicContact CE1-CD1 4.26Å; F537-N560 HydrophobicContact CE1-CB 4.29Å; F537-N560 HydrophobicContact CZ-CB 3.78Å; F537-F561 CarbonylContact C-O 3.5Å; F537-F561 WeakPolarHBondContact CA-O 3.47Å; F537-A562 HydrophobicContact CD2-CB 3.98Å
538	Q	95.4	Very high	91.9	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	114.1	172.8	-175.4	176.1	-48.2	0	0	109.9	L407 P519 L520 N540 F561 W563	L407-Q538 VanDerWaalsContact N-OE1 3.08Å; L407-Q538 PolarHBondContact O-NE2 3.21Å; P519-Q538 HydrophobicContact CB-CG 4.01Å; L520-Q538 CarbonylContact O-C 3.55Å; L520-Q538 WeakPolarHBondContact O-CA 3.38Å; Q538-N540 PolarHBondContact NE2-OD1 3.18Å; Q538-F561 PolarHBondContact N-O 2.89Å; Q538-F561 PolarHBondContact O-N 3.41Å; Q538-F561 VanDerWaalsContact O-N 3.09Å; Q538-W563 HydrophobicContact CB-CZ3 4.07Å
539	L	96.2	Very high	91.3	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	116	173.9	-176.1	69.9	0	0	0	109.3	F499 A502 V503 A506 L516 P519 L520 F537 N541 M542	F499-L539 HydrophobicContact CD2-CD1 3.93Å; F499-L539 HydrophobicContact CE2-CD1 3.67Å; A502-L539 HydrophobicContact CB-CB 3.87Å; A502-L539 HydrophobicContact CB-CD2 3.87Å; A502-L539 HydrophobicContact CB-CG 4.43Å; V503-L539 HydrophobicContact CG2-CD2 4.31Å; A506-L539 HydrophobicContact CB-CD2 4.23Å; L516-L539 HydrophobicContact CD1-CD2 4.4Å; L516-L539 HydrophobicContact CD1-CG 4.4Å; L516-L539 HydrophobicContact CD2-CD2 4.02Å; L516-L539 HydrophobicContact CD2-CG 4.2Å; P519-L539 VanDerWaalsContact CA-O 3.26Å; P519-L539 WeakPolarHBondContact CA-O 3.2Å; L520-L539 HydrophobicContact CB-CB 4.43Å; L520-L539 PolarHBondContact N-O 3.36Å; L520-L539 PolarHBondContact O-N 2.88Å; F537-L539 HydrophobicContact CD1-CB 4.44Å; F537-L539 HydrophobicContact CE1-CB 3.97Å; F537-L539 HydrophobicContact CE1-CD1 4.26Å; L539-N541 WeakPolarHBondContact CD1-O 3.28Å; L539-M542 HydrophobicContact CD2-CG 4.16Å
540	N	94.5	Very high	90.5	Very high	3 Å²	3	22.4 Å²	22.4	2%	0.016	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	-32.2	175.2	-59.1	-45.2	0	0	0	111.7	L516 P519 Q538 P558 K559 N560 F561	L516-N540 PolarHBondContact N-O 2.96Å; P519-N540 WeakPolarHBondContact CB-OD1 3Å; P519-N540 WeakPolarHBondContact CG-OD1 3.3Å; Q538-N540 PolarHBondContact NE2-OD1 3.18Å; N540-P558 HydrophobicContact CB-CB 4.19Å; N540-P558 HydrophobicContact CB-CG 4.28Å; N540-K559 PolarHBondContact ND2-O 2.89Å; N540-N560 PolarHBondContact N-OD1 3.42Å; N540-F561 WeakPolarHBondContact ND2-CD2 3.36Å; N540-F561 VanDerWaalsContact ND2-CE2 3.33Å; N540-F561 WeakPolarHBondContact ND2-CE2 3.41Å
541	N	93.5	Very high	89.2	Confident	5 Å²	5	30.1 Å²	30.1	3%	0.027	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	130.6	-176.8	-171.6	1.3	0	0	0	110.1	G514 L539 D543 P558 N560	G514-N541 VanDerWaalsContact C-OD1 3.3Å; G514-N541 PolarHBondContact O-OD1 2.98Å; G514-N541 VanDerWaalsContact O-OD1 3.12Å; L539-N541 WeakPolarHBondContact CD1-O 3.28Å; N541-D543 WeakPolarHBondContact OD1-CB 3.4Å; N541-D543 PolarHBondContact OD1-N 3.33Å; N541-P558 HydrophobicContact CB-CG 4.34Å; N541-P558 WeakPolarHBondContact CB-O 3.35Å; N541-P558 PolarHBondContact ND2-O 2.95Å; N541-N560 PolarHBondContact N-OD1 2.76Å; N541-N560 PolarHBondContact O-ND2 2.91Å; N541-N560 PolarHBondContact O-OD1 2.94Å
542	M	93	Very high	87.7	Confident	6 Å²	6	34.2 Å²	34.2	3%	0.03	17%	0.172	C	C	.	.			trans	-82.6	-21	175.4	-77.4	-176.7	55.5	0	0	113.2	V503 A506 R507 I511 N512 G514 L516 L539 V544	V503-M542 HydrophobicContact CG1-CE 3.96Å; A506-M542 HydrophobicContact CB-SD 3.76Å; R507-M542 HydrophobicContact CG-CE 4.27Å; I511-M542 HydrophobicContact CG2-SD 4.09Å; N512-M542 WeakPolarHBondContact O-CE 3.42Å; G514-M542 PolarHBondContact O-N 3.01Å; L516-M542 HydrophobicContact CD1-CG 3.82Å; L516-M542 HydrophobicContact CD1-SD 4.34Å; L539-M542 HydrophobicContact CD2-CG 4.16Å; M542-V544 PolarHBondContact O-N 3.1Å
543	D	90.7	Very high	86.8	Confident	76 Å²	76	37.3 Å²	37.3	41%	0.406	19%	0.188	S	C	.	.			trans	-77.7	118.9	-178.4	-62.3	-15.4	0	0	0	110	G514 N541	G514-D543 WeakPolarHBondContact CA-OD2 3.14Å; G514-D543 PolarHBondContact N-OD1 2.78Å; N541-D543 WeakPolarHBondContact OD1-CB 3.4Å; N541-D543 PolarHBondContact OD1-N 3.33Å
544	V	92.2	Very high	85.8	Confident	6 Å²	6	41.6 Å²	41.6	4%	0.036	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-109.6	112.5	178.5	-179.8	0	0	0	0	109.4	L242 N244 Y378 W380 G381 F499 M542	L242-V544 WeakPolarHBondContact O-CG1 3.29Å; N244-V544 HydrophobicContact CB-CB 4.42Å; N244-V544 HydrophobicContact CB-CG1 4.08Å; N244-V544 HydrophobicContact CB-CG2 4.15Å; Y378-V544 HydrophobicContact CD2-CB 4.28Å; Y378-V544 HydrophobicContact CD2-CG2 3.9Å; Y378-V544 HydrophobicContact CE2-CB 3.99Å; Y378-V544 HydrophobicContact CE2-CG1 4.44Å; Y378-V544 HydrophobicContact CE2-CG2 3.72Å; W380-V544 HydrophobicContact CG-CG1 4.43Å; G381-V544 PolarHBondContact N-O 2.89Å; F499-V544 HydrophobicContact CZ-CG2 4.05Å; M542-V544 PolarHBondContact O-N 3.1Å
545	P	89.3	Confident	84.7	Confident	26 Å²	26	46.2 Å²	46.2	17%	0.169	24%	0.241	C	C	.	.			trans	-81.1	159.2	179.9	33.6	-35.2	0	0	0	112.4	Y547 L553	P545-Y547 HydrophobicContact CG-CD2 4.47Å; P545-Y547 HydrophobicContact CG-CE2 3.83Å; P545-L553 HydrophobicContact CB-CD2 3.31Å; P545-L553 HydrophobicContact CG-CD2 3.52Å
546	D	86.5	Confident	83.9	Confident	13 Å²	13	49.5 Å²	49.5	7%	0.07	26%	0.262	C	S	.	.			trans	-92.9	106.2	165.7	-179.6	-10	0	0	0	108.5	W380 K548 L549 S550	W380-D546 HydrophobicContact CE3-CB 4.31Å; W380-D546 HydrophobicContact CH2-CB 3.54Å; W380-D546 WeakPolarHBondContact CH2-OD2 3.18Å; W380-D546 HydrophobicContact CZ2-CB 3.94Å; W380-D546 HydrophobicContact CZ3-CB 3.73Å; W380-D546 VanDerWaalsContact CZ3-OD2 3.31Å; W380-D546 WeakPolarHBondContact CZ3-OD2 3.42Å; D546-K548 PolarHBondContact O-N 3.09Å; D546-K548 VanDerWaalsContact O-N 3.1Å; D546-K548 WeakPolarHBondContact OD1-CB 3.24Å; D546-K548 PolarHBondContact OD1-N 3.48Å; D546-L549 HydrophobicContact CB-CB 4.28Å; D546-L549 PolarHBondContact O-N 3.35Å; D546-L549 VanDerWaalsContact OD2-CD1 3.26Å; D546-L549 WeakPolarHBondContact OD2-CD1 3.3Å; D546-L549 WeakPolarHBondContact OD2-CG 3.44Å; D546-S550 PolarHBondContact N-OG 3.45Å; D546-S550 WeakPolarHBondContact O-CA 3.36Å; D546-S550 WeakPolarHBondContact O-CB 3.33Å; D546-S550 PolarHBondContact O-N 3.05Å; D546-S550 PolarHBondContact O-OG 3.44Å
547	Y	82.6	Confident	83.4	Confident	57 Å²	57	50.8 Å²	50.8	22%	0.224	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-16.5	-178	-74.5	-84.6	0	0	0	115	L241 N244 L422 V424 P545 L553	L241-Y547 HydrophobicContact CD2-CD2 4.05Å; N244-Y547 PolarHBondContact OD1-OH 3.29Å; L422-Y547 HydrophobicContact CD1-CD2 4.33Å; L422-Y547 HydrophobicContact CD1-CE1 4.4Å; L422-Y547 HydrophobicContact CD1-CE2 3.39Å; L422-Y547 VanDerWaalsContact CD1-CZ 3.45Å; L422-Y547 VanDerWaalsContact CD1-OH 3.28Å; L422-Y547 WeakPolarHBondContact CD1-OH 3.49Å; V424-Y547 HydrophobicContact CG2-CD1 4.18Å; V424-Y547 HydrophobicContact CG2-CD2 4.25Å; V424-Y547 HydrophobicContact CG2-CG 3.73Å; P545-Y547 HydrophobicContact CG-CD2 4.47Å; P545-Y547 HydrophobicContact CG-CE2 3.83Å; Y547-L553 HydrophobicContact CD1-CD1 3.47Å; Y547-L553 VanDerWaalsContact CD1-CD1 3.47Å; Y547-L553 HydrophobicContact CD1-CD2 4.29Å; Y547-L553 HydrophobicContact CE1-CD1 3.65Å; Y547-L553 HydrophobicContact CE1-CD2 4.07Å; Y547-L553 HydrophobicContact CG-CD1 4.48Å
548	K	80.2	Confident	83.2	Confident	86 Å²	86	51 Å²	51	37%	0.374	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-39.4	175.8	-69.5	-178.7	172.2	-177.2	0	112.4	G428 M430 D546	G428-K548 WeakPolarHBondContact O-CE 3.49Å; G428-K548 PolarHBondContact O-NZ 3.3Å; M430-K548 PolarHBondContact O-NZ 3.17Å; D546-K548 PolarHBondContact O-N 3.09Å; D546-K548 VanDerWaalsContact O-N 3.1Å; D546-K548 WeakPolarHBondContact OD1-CB 3.24Å; D546-K548 PolarHBondContact OD1-N 3.48Å
549	L	76.2	Confident	83.1	Confident	81 Å²	81	52.4 Å²	52.4	42%	0.424	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-21	-175.2	-66.5	177	0	0	0	113.7	P382 D546 H551	P382-L549 HydrophobicContact CG-CB 4.07Å; D546-L549 HydrophobicContact CB-CB 4.28Å; D546-L549 PolarHBondContact O-N 3.35Å; D546-L549 VanDerWaalsContact OD2-CD1 3.26Å; D546-L549 WeakPolarHBondContact OD2-CD1 3.3Å; D546-L549 WeakPolarHBondContact OD2-CG 3.44Å; L549-H551 PolarHBondContact O-N 3.38Å
550	S	71.9	Confident	83	Confident	25 Å²	25	52.4 Å²	52.4	18%	0.175	28%	0.279	C	S	.	.			trans	-80	89.5	-177	-53.1	0	0	0	0	110.1	D546 N552	D546-S550 PolarHBondContact N-OG 3.45Å; D546-S550 WeakPolarHBondContact O-CA 3.36Å; D546-S550 WeakPolarHBondContact O-CB 3.33Å; D546-S550 PolarHBondContact O-N 3.05Å; D546-S550 PolarHBondContact O-OG 3.44Å; S550-N552 PolarHBondContact O-N 2.98Å
551	H	62.3	Low	83	Confident	173 Å²	173	52.6 Å²	52.6	80%	0.801	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-26.9	177.1	-68.1	-62.3	0	0	0	113.3	L549	L549-H551 PolarHBondContact O-N 3.38Å
552	N	63.1	Low	83.1	Confident	159 Å²	159	52.4 Å²	52.4	85%	0.85	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.5	68.5	-179.8	-68.9	-20.1	0	0	0	110.4	S550 D554	S550-N552 PolarHBondContact O-N 2.98Å; N552-D554 PolarHBondContact O-N 2.87Å
553	L	75.1	Confident	83.2	Confident	67 Å²	67	52.7 Å²	52.7	35%	0.351	28%	0.28	S	S	.	.			trans	-64.8	124.5	167.6	-71.2	160.1	0	0	0	108.5	P545 Y547 P555	P545-L553 HydrophobicContact CB-CD2 3.31Å; P545-L553 HydrophobicContact CG-CD2 3.52Å; Y547-L553 HydrophobicContact CD1-CD1 3.47Å; Y547-L553 VanDerWaalsContact CD1-CD1 3.47Å; Y547-L553 HydrophobicContact CD1-CD2 4.29Å; Y547-L553 HydrophobicContact CE1-CD1 3.65Å; Y547-L553 HydrophobicContact CE1-CD2 4.07Å; Y547-L553 HydrophobicContact CG-CD1 4.48Å; L553-P555 WeakPolarHBondContact O-CD 3.47Å; L553-P555 VanDerWaalsContact O-N 3.15Å
554	D	75.9	Confident	83.4	Confident	90 Å²	90	49.3 Å²	49.3	48%	0.481	26%	0.262	S	S	.	.			trans	-65.5	111.2	170.9	-179.4	0.9	0	0	0	108.9	N552 T556 A557	N552-D554 PolarHBondContact O-N 2.87Å; D554-T556 PolarHBondContact O-N 3.47Å; D554-T556 VanDerWaalsContact O-N 3.16Å; D554-T556 WeakPolarHBondContact OD1-CB 3.19Å; D554-T556 PolarHBondContact OD1-N 3.29Å; D554-T556 PolarHBondContact OD1-OG1 2.92Å; D554-T556 PolarHBondContact OD2-OG1 3.06Å; D554-A557 HydrophobicContact CB-CB 4.24Å; D554-A557 PolarHBondContact O-N 3.03Å
555	P	73.2	Confident	83.5	Confident	97 Å²	97	49.5 Å²	49.5	63%	0.63	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-7.9	-178.7	32.5	-36.4	0	0	0	112.5	K418 L553	K418-P555 WeakPolarHBondContact CE-O 3.22Å; L553-P555 WeakPolarHBondContact O-CD 3.47Å; L553-P555 VanDerWaalsContact O-N 3.15Å
556	T	77.7	Confident	83.6	Confident	70 Å²	70	49 Å²	49	43%	0.429	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-19.3	179.2	74.1	0	0	0	0	113	D554	D554-T556 PolarHBondContact O-N 3.47Å; D554-T556 VanDerWaalsContact O-N 3.16Å; D554-T556 WeakPolarHBondContact OD1-CB 3.19Å; D554-T556 PolarHBondContact OD1-N 3.29Å; D554-T556 PolarHBondContact OD1-OG1 2.92Å; D554-T556 PolarHBondContact OD2-OG1 3.06Å
557	A	86.4	Confident	84	Confident	27 Å²	27	52.1 Å²	52.1	22%	0.223	28%	0.279	C	S	.	.	S	Bend	trans	-64.3	125.4	178.7	0	0	0	0	0	110.8	D554	D554-A557 HydrophobicContact CB-CB 4.24Å; D554-A557 PolarHBondContact O-N 3.03Å
558	P	91.4	Very high	84.6	Confident	3 Å²	3	52 Å²	52	2%	0.019	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-70	143.6	-179.9	29	-32.9	0	0	0	110.6	I413 I515 N540 N541	I413-P558 HydrophobicContact CG2-CB 3.56Å; I515-P558 HydrophobicContact CD1-CG 4.44Å; I515-P558 HydrophobicContact CG1-CG 4.34Å; I515-P558 HydrophobicContact CG2-CG 3.84Å; N540-P558 HydrophobicContact CB-CB 4.19Å; N540-P558 HydrophobicContact CB-CG 4.28Å; N541-P558 HydrophobicContact CB-CG 4.34Å; N541-P558 WeakPolarHBondContact CB-O 3.35Å; N541-P558 PolarHBondContact ND2-O 2.95Å
559	K	92.5	Very high	85.3	Confident	30 Å²	30	52.9 Å²	52.9	13%	0.13	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-84.4	162	169.9	-65.5	178.8	177.3	142.2	0	109.9	V246 S417 A420 L422 N540	V246-K559 HydrophobicContact CG2-CB 3.99Å; V246-K559 HydrophobicContact CG2-CD 3.69Å; V246-K559 HydrophobicContact CG2-CG 4.5Å; S417-K559 WeakPolarHBondContact O-CE 3.4Å; S417-K559 PolarHBondContact O-NZ 2.66Å; S417-K559 PolarHBondContact OG-N 3.46Å; A420-K559 PolarHBondContact O-NZ 3.12Å; L422-K559 HydrophobicContact CD1-CD 4.44Å; L422-K559 HydrophobicContact CG-CD 4.41Å; N540-K559 PolarHBondContact ND2-O 2.89Å
560	N	95.2	Very high	86.1	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	161.3	169.6	-61.6	-39.7	0	0	0	110.2	T243 N244 T245 V246 F537 N540 N541	T243-N560 PolarHBondContact O-ND2 2.93Å; N244-N560 PolarHBondContact O-N 2.86Å; T245-N560 CarbonylContact C-O 2.9Å; T245-N560 WeakPolarHBondContact CA-O 3.44Å; T245-N560 HydrophobicContact CG2-CB 4.29Å; T245-N560 WeakPolarHBondContact OG1-CB 3.07Å; V246-N560 PolarHBondContact N-O 2.96Å; F537-N560 HydrophobicContact CE1-CB 4.29Å; F537-N560 HydrophobicContact CZ-CB 3.78Å; N540-N560 PolarHBondContact N-OD1 3.42Å; N541-N560 PolarHBondContact N-OD1 2.76Å; N541-N560 PolarHBondContact O-ND2 2.91Å; N541-N560 PolarHBondContact O-OD1 2.94Å
561	F	94.8	Very high	87.1	Confident	8 Å²	8	47.9 Å²	47.9	4%	0.035	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	141.4	177.9	-61.7	-78.8	0	0	0	111.5	V246 L407 I413 F416 F537 Q538 N540 W563	V246-F561 HydrophobicContact CB-CD1 3.82Å; V246-F561 HydrophobicContact CB-CE1 4.03Å; V246-F561 HydrophobicContact CG1-CD1 4.32Å; V246-F561 HydrophobicContact CG1-CE1 4.44Å; V246-F561 HydrophobicContact CG2-CD1 4.42Å; V246-F561 HydrophobicContact CG2-CE1 4.2Å; V246-F561 WeakPolarHBondContact O-CA 3.38Å; L407-F561 HydrophobicContact CD1-CD1 4.33Å; L407-F561 HydrophobicContact CD1-CD2 3.61Å; L407-F561 HydrophobicContact CD1-CE1 4.45Å; L407-F561 HydrophobicContact CD1-CE2 3.75Å; L407-F561 HydrophobicContact CD1-CG 3.94Å; L407-F561 HydrophobicContact CD1-CZ 4.19Å; I413-F561 HydrophobicContact CB-CE2 4.48Å; I413-F561 HydrophobicContact CG1-CE2 4.37Å; I413-F561 HydrophobicContact CG2-CE2 4.08Å; F416-F561 HydrophobicContact CB-CE1 3.88Å; F416-F561 HydrophobicContact CB-CZ 3.68Å; F537-F561 CarbonylContact C-O 3.5Å; F537-F561 WeakPolarHBondContact CA-O 3.47Å; Q538-F561 PolarHBondContact N-O 2.89Å; Q538-F561 PolarHBondContact O-N 3.41Å; Q538-F561 VanDerWaalsContact O-N 3.09Å; N540-F561 WeakPolarHBondContact ND2-CD2 3.36Å; N540-F561 VanDerWaalsContact ND2-CE2 3.33Å; N540-F561 WeakPolarHBondContact ND2-CE2 3.41Å; F561-W563 HydrophobicContact CB-CH2 3.71Å; F561-W563 HydrophobicContact CB-CZ2 4.22Å; F561-W563 HydrophobicContact CB-CZ3 3.9Å; F561-W563 HydrophobicContact CG-CH2 4.41Å
562	A	95.1	Very high	88.2	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	136.2	170.6	0	0	0	0	0	110.9	T245 V246 V247 T248 I495 T536 F537	T245-A562 HydrophobicContact CG2-CB 3.57Å; V246-A562 PolarHBondContact O-N 2.75Å; V247-A562 CarbonylContact C-O 3.54Å; V247-A562 WeakPolarHBondContact CA-O 3.24Å; V247-A562 HydrophobicContact CG2-CB 4.47Å; T248-A562 PolarHBondContact N-O 3.02Å; I495-A562 HydrophobicContact CG1-CB 4.26Å; T536-A562 CarbonylContact O-C 3.53Å; T536-A562 VanDerWaalsContact O-CA 3.28Å; T536-A562 WeakPolarHBondContact O-CA 3.48Å; F537-A562 HydrophobicContact CD2-CB 3.98Å
563	W	95	Very high	89.2	Confident	13 Å²	13	37.4 Å²	37.4	5%	0.049	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	127.2	172.8	-66	-90.5	0	0	0	109	T248 G250 P252 F406 L407 V535 T536 Q538 F561 I612	T248-W563 CarbonylContact O-C 3.54Å; T248-W563 WeakPolarHBondContact O-CA 3.48Å; G250-W563 WeakPolarHBondContact O-CB 3.48Å; P252-W563 HydrophobicContact CB-CD2 4.49Å; P252-W563 HydrophobicContact CG-CB 3.89Å; P252-W563 HydrophobicContact CG-CD2 3.77Å; P252-W563 HydrophobicContact CG-CE3 4Å; P252-W563 HydrophobicContact CG-CG 3.71Å; F406-W563 HydrophobicContact CB-CH2 3.93Å; F406-W563 HydrophobicContact CB-CZ3 4.13Å; L407-W563 HydrophobicContact CD1-CH2 3.87Å; L407-W563 HydrophobicContact CD1-CZ2 3.91Å; L407-W563 HydrophobicContact CG-CH2 4.02Å; L407-W563 HydrophobicContact CG-CZ2 4.1Å; V535-W563 CarbonylContact C-O 3.6Å; V535-W563 WeakPolarHBondContact CA-O 3.43Å; T536-W563 HydrophobicContact CG2-CE3 4.11Å; T536-W563 PolarHBondContact N-O 3.29Å; T536-W563 PolarHBondContact O-N 3.33Å; Q538-W563 HydrophobicContact CB-CZ3 4.07Å; F561-W563 HydrophobicContact CB-CH2 3.71Å; F561-W563 HydrophobicContact CB-CZ2 4.22Å; F561-W563 HydrophobicContact CB-CZ3 3.9Å; F561-W563 HydrophobicContact CG-CH2 4.41Å; W563-I612 HydrophobicContact CZ2-CD1 4.47Å
564	I	95.1	Very high	89.3	Confident	4 Å²	4	36.9 Å²	36.9	2%	0.021	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	116.7	-178.2	-57.7	170.1	0	0	0	109.1	V236 V247 T248 L249 G250 Y491 I495 V535	V236-I564 HydrophobicContact CG1-CD1 4.35Å; V247-I564 HydrophobicContact CG1-CD1 3.3Å; V247-I564 HydrophobicContact CG1-CG1 4Å; T248-I564 PolarHBondContact O-N 3.01Å; L249-I564 CarbonylContact C-O 3.23Å; L249-I564 HydrophobicContact CD2-CB 4.19Å; L249-I564 HydrophobicContact CD2-CD1 4.46Å; G250-I564 PolarHBondContact N-O 2.62Å; Y491-I564 HydrophobicContact CD1-CG2 3.54Å; Y491-I564 HydrophobicContact CD2-CD1 4.31Å; Y491-I564 HydrophobicContact CD2-CG2 3.93Å; Y491-I564 HydrophobicContact CE1-CG2 3.6Å; Y491-I564 HydrophobicContact CE2-CG2 3.99Å; Y491-I564 HydrophobicContact CG-CD1 4.16Å; Y491-I564 HydrophobicContact CG-CG2 3.71Å; I495-I564 HydrophobicContact CD1-CD1 4.04Å; V535-I564 HydrophobicContact CG2-CG1 4.24Å; V535-I564 HydrophobicContact CG2-CG2 4.42Å
565	D	93.6	Very high	89.2	Confident	11 Å²	11	36.9 Å²	36.9	6%	0.059	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	99.2	171.9	-174.6	31.9	0	0	0	108.5	A251 F534 Y568 R596	A251-D565 HydrophobicContact CB-CB 3.84Å; F534-D565 WeakPolarHBondContact CA-O 3.35Å; F534-D565 HydrophobicContact CB-CB 4.45Å; F534-D565 VanDerWaalsContact CB-O 3.28Å; F534-D565 WeakPolarHBondContact CB-O 3.49Å; F534-D565 VanDerWaalsContact CD2-O 3.32Å; F534-D565 WeakPolarHBondContact CD2-O 3.39Å; F534-D565 PolarHBondContact N-O 2.89Å; F534-D565 PolarHBondContact O-N 2.99Å; D565-Y568 WeakPolarHBondContact OD1-CE2 3.41Å; D565-Y568 VanDerWaalsContact OD1-CZ 3.28Å; D565-Y568 PolarHBondContact OD1-OH 3.42Å; D565-R596 IonicContact OD1-NH1 3.92Å; D565-R596 IonicContact OD2-CZ 3.68Å; D565-R596 IonicContact OD2-NE 3.68Å; D565-R596 IonicContact OD2-NH1 2.86Å; D565-R596 PolarHBondContact OD2-NH1 3.48Å
566	G	93	Very high	88.9	Confident	15 Å²	15	33.8 Å²	33.8	16%	0.155	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	-165.7	-167.6	0	0	0	0	0	115.8	Y491 Y568	Y491-G566 VanDerWaalsContact OH-C 3.28Å; G566-Y568 VanDerWaalsContact C-N 3.27Å; G566-Y568 PolarHBondContact O-N 2.71Å
567	N	93.8	Very high	88.1	Confident	79 Å²	79	38.8 Å²	38.8	42%	0.422	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	62.4	29.7	-171.5	-159.3	26.2	0	0	0	113.8	P487 Y491 Y531 D533	P487-N567 HydrophobicContact CB-CB 4.3Å; P487-N567 HydrophobicContact CG-CB 4.18Å; P487-N567 WeakPolarHBondContact CG-OD1 3.34Å; Y491-N567 WeakPolarHBondContact OH-CB 3.3Å; Y491-N567 PolarHBondContact OH-N 2.72Å; Y531-N567 WeakPolarHBondContact CD1-OD1 3.14Å; D533-N567 WeakPolarHBondContact OD1-CA 3.37Å; D533-N567 PolarHBondContact OD1-N 2.84Å
568	Y	95.4	Very high	86.7	Confident	55 Å²	55	46.3 Å²	46.3	22%	0.216	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	118.1	179	-66	-64.9	0	0	0	111.6	Y531 F532 F534 D565 G566 L570 R596	Y531-Y568 CarbonylContact C-O 3.5Å; Y531-Y568 VanDerWaalsContact CA-O 3.31Å; Y531-Y568 WeakPolarHBondContact CA-O 3.33Å; F532-Y568 PolarHBondContact N-O 3.11Å; F532-Y568 PolarHBondContact O-N 3.35Å; F532-Y568 VanDerWaalsContact O-N 3.15Å; F534-Y568 HydrophobicContact CD2-CD2 4.08Å; F534-Y568 HydrophobicContact CD2-CE2 4.44Å; F534-Y568 AromaticContact CE2-CD2 3.99Å; F534-Y568 HydrophobicContact CE2-CD2 3.99Å; D565-Y568 WeakPolarHBondContact OD1-CE2 3.41Å; D565-Y568 VanDerWaalsContact OD1-CZ 3.28Å; D565-Y568 PolarHBondContact OD1-OH 3.42Å; G566-Y568 VanDerWaalsContact C-N 3.27Å; G566-Y568 PolarHBondContact O-N 2.71Å; Y568-L570 PolarHBondContact O-N 2.8Å; Y568-R596 VanDerWaalsContact CE2-CD 3.48Å; Y568-R596 VanDerWaalsContact CZ-CZ 3.46Å; Y568-R596 VanDerWaalsContact CZ-NE 3.3Å; Y568-R596 PolarHBondContact OH-NH1 3.19Å; Y568-R596 PolarHBondContact OH-NH2 3.37Å
569	R	94.1	Very high	85	Confident	103 Å²	103	55.9 Å²	55.9	39%	0.389	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	115.9	174.9	-170.4	175	70.4	-172.7	1.9	110.7	V530 Y531 F571	V530-R569 HydrophobicContact CG1-CG 3.97Å; Y531-R569 HydrophobicContact CD1-CB 4.09Å; Y531-R569 HydrophobicContact CE1-CB 3.78Å; Y531-R569 HydrophobicContact CE1-CG 4.27Å; R569-F571 WeakPolarHBondContact CG-O 3.39Å
570	L	94.5	Very high	83.3	Confident	2 Å²	2	57.7 Å²	57.7	1%	0.01	26%	0.261	C	S	.	.	S	Bend	trans	-70.1	-38.1	178.3	179.8	64.2	0	0	0	112.2	I290 L331 L335 V530 F532 Y568 V589 N590 V593	I290-L570 HydrophobicContact CD1-CD2 3.99Å; I290-L570 HydrophobicContact CD1-CG 4.18Å; I290-L570 HydrophobicContact CG1-CD2 4.11Å; L331-L570 HydrophobicContact CD2-CD2 4.28Å; L335-L570 HydrophobicContact CD1-CD2 4.47Å; V530-L570 PolarHBondContact O-N 3.08Å; F532-L570 HydrophobicContact CD2-CB 3.92Å; F532-L570 HydrophobicContact CD2-CD2 4.44Å; F532-L570 HydrophobicContact CE2-CB 3.84Å; F532-L570 HydrophobicContact CE2-CD2 3.62Å; F532-L570 HydrophobicContact CE2-CG 4.33Å; F532-L570 HydrophobicContact CZ-CD2 4.06Å; Y568-L570 PolarHBondContact O-N 2.8Å; L570-V589 CarbonylContact O-C 3.6Å; L570-V589 WeakPolarHBondContact O-CA 3.49Å; L570-N590 PolarHBondContact O-N 3.49Å; L570-V593 HydrophobicContact CB-CB 4.49Å; L570-V593 HydrophobicContact CB-CG1 4.32Å; L570-V593 HydrophobicContact CD1-CB 3.87Å; L570-V593 HydrophobicContact CD1-CG1 4.24Å
571	F	92.7	Very high	81.7	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	27%	0.27	C	S	.	.	S	Bend	trans	-154.9	158.1	177.5	59.3	-91.7	0	0	0	110.7	I290 H294 G529 V530 R569 K573 Y586 V589	I290-F571 HydrophobicContact CB-CE1 4.47Å; I290-F571 HydrophobicContact CD1-CD1 3.69Å; I290-F571 HydrophobicContact CD1-CE1 4.32Å; I290-F571 HydrophobicContact CD1-CG 4.39Å; I290-F571 HydrophobicContact CG1-CD1 3.98Å; I290-F571 HydrophobicContact CG1-CE1 4.1Å; I290-F571 HydrophobicContact CG2-CD1 3.72Å; I290-F571 HydrophobicContact CG2-CD2 4.45Å; I290-F571 HydrophobicContact CG2-CE1 3.57Å; I290-F571 HydrophobicContact CG2-CE2 4.32Å; I290-F571 HydrophobicContact CG2-CG 4.18Å; I290-F571 HydrophobicContact CG2-CZ 3.9Å; H294-F571 AromaticContact CE1-CE1 3.94Å; H294-F571 AromaticContact CE1-CZ 3.46Å; H294-F571 VanDerWaalsContact CE1-CZ 3.46Å; H294-F571 WeakPolarHBondContact CE1-CZ 3.32Å; H294-F571 AromaticContact ND1-CZ 3.95Å; H294-F571 AromaticContact NE2-CZ 3.69Å; G529-F571 WeakPolarHBondContact O-CE1 3.49Å; G529-F571 VanDerWaalsContact O-CZ 3.31Å; G529-F571 WeakPolarHBondContact O-CZ 3.3Å; V530-F571 HydrophobicContact CB-CZ 4.46Å; V530-F571 WeakPolarHBondContact CG1-O 3.24Å; V530-F571 HydrophobicContact CG2-CE2 4Å; V530-F571 HydrophobicContact CG2-CZ 3.84Å; R569-F571 WeakPolarHBondContact CG-O 3.39Å; F571-K573 HydrophobicContact CD2-CB 4.37Å; F571-K573 HydrophobicContact CE2-CB 3.96Å; F571-K573 HydrophobicContact CE2-CG 4.41Å; F571-Y586 AromaticContact CD2-CD1 3.7Å; F571-Y586 HydrophobicContact CD2-CD1 3.7Å; F571-Y586 AromaticContact CE2-CD1 3.36Å; F571-Y586 HydrophobicContact CE2-CD1 3.36Å; F571-Y586 AromaticContact CE2-CE1 3.76Å; F571-Y586 HydrophobicContact CE2-CE1 3.76Å; F571-Y586 HydrophobicContact CZ-CD1 4.12Å; F571-Y586 HydrophobicContact CZ-CE1 4.31Å; F571-V589 HydrophobicContact CB-CG2 4.19Å
572	Q	85.8	Confident	80.1	Confident	58 Å²	58	60.8 Å²	60.8	27%	0.271	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	114.9	173.1	-167.1	177.2	22.6	0	0	111	L574 Y586 R587 D588	Q572-L574 HydrophobicContact CG-CD2 3.89Å; Q572-L574 HydrophobicContact CG-CG 4.15Å; Q572-Y586 WeakPolarHBondContact O-CA 3.34Å; Q572-R587 HydrophobicContact CB-CB 4.46Å; Q572-R587 PolarHBondContact N-O 3.34Å; Q572-R587 PolarHBondContact O-N 3.49Å; Q572-D588 PolarHBondContact OE1-OD2 2.89Å
573	K	83.2	Confident	78.8	Confident	54 Å²	54	64.1 Å²	64.1	24%	0.235	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	100.8	174.4	-167.1	175.1	-179.9	176.7	0	110.2	V530 F571 I575 T584 Y586	V530-K573 HydrophobicContact CG2-CB 4.31Å; V530-K573 HydrophobicContact CG2-CD 3.86Å; F571-K573 HydrophobicContact CD2-CB 4.37Å; F571-K573 HydrophobicContact CE2-CB 3.96Å; F571-K573 HydrophobicContact CE2-CG 4.41Å; K573-I575 HydrophobicContact CG-CG1 4.45Å; K573-I575 PolarHBondContact O-N 2.99Å; K573-T584 HydrophobicContact CG-CG2 3.69Å; K573-Y586 HydrophobicContact CD-CE1 4.43Å; K573-Y586 HydrophobicContact CG-CE1 4.13Å
574	L	77.1	Confident	77.7	Confident	56 Å²	56	64.2 Å²	64.2	29%	0.293	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	99.9	-179.5	-65.6	177	0	0	0	110.4	Q572 T584 K585 R587	Q572-L574 HydrophobicContact CG-CD2 3.89Å; Q572-L574 HydrophobicContact CG-CG 4.15Å; L574-T584 WeakPolarHBondContact O-CA 3.43Å; L574-K585 HydrophobicContact CB-CB 4.22Å; L574-K585 PolarHBondContact N-O 3.38Å; L574-K585 PolarHBondContact O-N 3.27Å; L574-R587 HydrophobicContact CD1-CG 4.29Å
575	I	73.6	Confident	77	Confident	89 Å²	89	69.6 Å²	69.6	46%	0.456	32%	0.318	S	S	.	.			trans	-81.9	128.2	177	-57.5	176.3	0	0	0	109	K573 M581 T584	K573-I575 HydrophobicContact CG-CG1 4.45Å; K573-I575 PolarHBondContact O-N 2.99Å; I575-M581 HydrophobicContact CG2-SD 4.09Å; I575-T584 HydrophobicContact CG1-CG2 4.42Å
576	P	66.6	Low	76.6	Confident	33 Å²	33	70.2 Å²	70.2	21%	0.214	32%	0.32	C	S	.	.			trans	-67.7	139.1	-178.4	26.2	-34.1	0	0	0	112.1	K578 M580 N583	P576-K578 VanDerWaalsContact C-N 3.35Å; P576-K578 PolarHBondContact O-N 3.12Å; P576-M580 WeakPolarHBondContact CG-O 3.49Å; P576-N583 HydrophobicContact CB-CB 4.41Å; P576-N583 HydrophobicContact CG-CB 4.03Å
577	K	61.1	Low	76.1	Confident	175 Å²	175	73.9 Å²	73.9	76%	0.761	33%	0.329	S	S	*	.	S	Bend	trans	-64.9	-29.9	-178.8	-67.5	-173.7	177	-175.6	0	114.2
578	K	57.6	Low	75.8	Confident	184 Å²	184	74.8 Å²	74.8	80%	0.8	33%	0.334	S	S	*	.	S	Bend	trans	-130.4	128	178.5	-69.6	-176.4	179.3	-179.3	0	109.3	P576	P576-K578 VanDerWaalsContact C-N 3.35Å; P576-K578 PolarHBondContact O-N 3.12Å
579	R	55.8	Low	75.6	Confident	204 Å²	204	72.5 Å²	72.5	77%	0.77	33%	0.326	S	S	*	.	S	Bend	trans	38.7	129.3	168.9	-67.3	-178.8	173	176.3	-1.2	117.5
580	M	57.2	Low	75.6	Confident	68 Å²	68	70.6 Å²	70.6	34%	0.335	32%	0.323	S	S	.	.			trans	84.9	95.2	175.5	-46.3	-165.3	93.4	0	0	116.5	E319 P576 R582 N583	E319-M580 VanDerWaalsContact OE1-CA 3.3Å; E319-M580 WeakPolarHBondContact OE1-CA 3.38Å; E319-M580 PolarHBondContact OE1-N 2.68Å; E319-M580 VanDerWaalsContact OE1-N 3.1Å; E319-M580 WeakPolarHBondContact OE2-CA 3.31Å; P576-M580 WeakPolarHBondContact CG-O 3.49Å; M580-R582 HydrophobicContact CB-CB 4.38Å; M580-R582 PolarHBondContact O-N 2.92Å; M580-N583 PolarHBondContact O-N 3.38Å
581	M	60.9	Low	75.5	Confident	35 Å²	35	71.5 Å²	71.5	17%	0.172	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-46.8	-23.7	160	-75.7	-67.9	-80.7	0	0	112.6	L303 R306 E319 I575 N583 T584	L303-M581 HydrophobicContact CD1-CE 4.36Å; R306-M581 VanDerWaalsContact CZ-CG 3.45Å; R306-M581 PolarHBondContact NH1-SD 3.43Å; E319-M581 PolarHBondContact OE1-N 2.89Å; E319-M581 WeakPolarHBondContact OE2-CB 3.34Å; E319-M581 PolarHBondContact OE2-N 3.38Å; I575-M581 HydrophobicContact CG2-SD 4.09Å; M581-N583 PolarHBondContact O-N 2.93Å; M581-T584 WeakPolarHBondContact O-CB 3.47Å; M581-T584 PolarHBondContact O-N 3.22Å; M581-T584 PolarHBondContact O-OG1 3.08Å
582	R	61.5	Low	75.6	Confident	39 Å²	39	73 Å²	73	15%	0.147	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-67.5	-17.7	177.4	-56.1	-170.5	-178.7	162.5	10.6	114.3	R124 R126 M580 T584	R124-R582 HydrophobicContact CB-CB 4.33Å; R124-R582 HydrophobicContact CB-CG 3.9Å; R124-R582 WeakPolarHBondContact O-CD 3.41Å; R124-R582 PolarHBondContact O-NH1 3.37Å; R126-R582 VanDerWaalsContact CA-CZ 3.49Å; M580-R582 HydrophobicContact CB-CB 4.38Å; M580-R582 PolarHBondContact O-N 2.92Å; R582-T584 VanDerWaalsContact C-N 3.31Å
583	N	66.8	Low	76.1	Confident	69 Å²	69	70.3 Å²	70.3	37%	0.369	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-93.4	10.2	171.7	-63.7	-25.9	0	0	0	111.8	P576 M580 M581 K585	P576-N583 HydrophobicContact CB-CB 4.41Å; P576-N583 HydrophobicContact CG-CB 4.03Å; M580-N583 PolarHBondContact O-N 3.38Å; M581-N583 PolarHBondContact O-N 2.93Å; N583-K585 PolarHBondContact O-N 2.92Å
584	T	72.8	Confident	76.7	Confident	15 Å²	15	67.8 Å²	67.8	9%	0.092	31%	0.314	C	S	.	.			trans	-56.8	125	170.2	-59.9	0	0	0	0	108.9	K573 L574 I575 M581 R582 Y586	K573-T584 HydrophobicContact CG-CG2 3.69Å; L574-T584 WeakPolarHBondContact O-CA 3.43Å; I575-T584 HydrophobicContact CG1-CG2 4.42Å; M581-T584 WeakPolarHBondContact O-CB 3.47Å; M581-T584 PolarHBondContact O-N 3.22Å; M581-T584 PolarHBondContact O-OG1 3.08Å; R582-T584 VanDerWaalsContact C-N 3.31Å; T584-Y586 HydrophobicContact CG2-CE1 4.44Å; T584-Y586 HydrophobicContact CG2-CE2 3.89Å
585	K	79.9	Confident	77.6	Confident	118 Å²	118	65.1 Å²	65.1	51%	0.513	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	146.3	176.3	-60.1	-176.9	-178.8	-179.8	0	109.5	L574 N583	L574-K585 HydrophobicContact CB-CB 4.22Å; L574-K585 PolarHBondContact N-O 3.38Å; L574-K585 PolarHBondContact O-N 3.27Å; N583-K585 PolarHBondContact O-N 2.92Å
586	Y	84.7	Confident	78.6	Confident	23 Å²	23	62.6 Å²	62.6	9%	0.09	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	115	178.9	-60	-97.1	0	0	0	106.9	T116 I290 L291 H294 V295 F571 Q572 K573 T584	T116-Y586 WeakPolarHBondContact CG2-O 3.4Å; I290-Y586 HydrophobicContact CG2-CD1 4.15Å; L291-Y586 HydrophobicContact CD2-CD2 4.23Å; L291-Y586 HydrophobicContact CD2-CG 4.49Å; H294-Y586 HydrophobicContact CB-CE1 3.62Å; H294-Y586 WeakPolarHBondContact CB-OH 3.41Å; H294-Y586 AromaticContact CD2-CE1 3.9Å; H294-Y586 AromaticContact CG-CE1 3.72Å; V295-Y586 HydrophobicContact CG2-CD2 4.16Å; V295-Y586 HydrophobicContact CG2-CE2 3.45Å; V295-Y586 VanDerWaalsContact CG2-CE2 3.45Å; F571-Y586 AromaticContact CD2-CD1 3.7Å; F571-Y586 HydrophobicContact CD2-CD1 3.7Å; F571-Y586 AromaticContact CE2-CD1 3.36Å; F571-Y586 HydrophobicContact CE2-CD1 3.36Å; F571-Y586 AromaticContact CE2-CE1 3.76Å; F571-Y586 HydrophobicContact CE2-CE1 3.76Å; F571-Y586 HydrophobicContact CZ-CD1 4.12Å; F571-Y586 HydrophobicContact CZ-CE1 4.31Å; Q572-Y586 WeakPolarHBondContact O-CA 3.34Å; K573-Y586 HydrophobicContact CD-CE1 4.43Å; K573-Y586 HydrophobicContact CG-CE1 4.13Å; T584-Y586 HydrophobicContact CG2-CE1 4.44Å; T584-Y586 HydrophobicContact CG2-CE2 3.89Å
587	R	83.7	Confident	80	Confident	92 Å²	92	61.1 Å²	61.1	35%	0.347	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	166.6	-174.4	-73.3	-172.3	179.6	177.8	-8.2	111.6	T116 Q572 L574 V589	T116-R587 HydrophobicContact CG2-CG 3.71Å; Q572-R587 HydrophobicContact CB-CB 4.46Å; Q572-R587 PolarHBondContact N-O 3.34Å; Q572-R587 PolarHBondContact O-N 3.49Å; L574-R587 HydrophobicContact CD1-CG 4.29Å; R587-V589 PolarHBondContact O-N 2.85Å
588	D	86	Confident	81.6	Confident	98 Å²	98	52.9 Å²	52.9	52%	0.524	24%	0.24	S	C	.	.			trans	53.3	55.4	164.1	-48.7	-30	0	0	0	113.2	Q572 N590	Q572-D588 PolarHBondContact OE1-OD2 2.89Å; D588-N590 PolarHBondContact O-N 3.21Å; D588-N590 VanDerWaalsContact O-N 3.16Å
589	V	91.5	Very high	83.3	Confident	8 Å²	8	44.2 Å²	44.2	5%	0.048	20%	0.203	C	C	.	.			trans	-61.3	120.4	174.2	179.6	0	0	0	0	109.2	L115 R283 V286 E287 I290 L570 F571 R587 M591	L115-V589 HydrophobicContact CB-CG2 4.25Å; L115-V589 HydrophobicContact CD2-CG2 3.28Å; L115-V589 HydrophobicContact CG-CG2 4.22Å; R283-V589 PolarHBondContact NH1-O 3.12Å; R283-V589 PolarHBondContact NH2-O 3.05Å; V286-V589 HydrophobicContact CG1-CG1 4.5Å; E287-V589 HydrophobicContact CG-CG2 4.1Å; I290-V589 HydrophobicContact CD1-CG1 4.25Å; I290-V589 HydrophobicContact CD1-CG2 4.01Å; L570-V589 CarbonylContact O-C 3.6Å; L570-V589 WeakPolarHBondContact O-CA 3.49Å; F571-V589 HydrophobicContact CB-CG2 4.19Å; R587-V589 PolarHBondContact O-N 2.85Å; V589-M591 HydrophobicContact CG1-SD 4.14Å
590	N	93.7	Very high	85.1	Confident	62 Å²	62	34.7 Å²	34.7	33%	0.332	17%	0.167	S	C	.	.			trans	-94.3	98.4	176	-177.6	9	0	0	0	109.6	L570 D588 S592 V593	L570-N590 PolarHBondContact O-N 3.49Å; D588-N590 PolarHBondContact O-N 3.21Å; D588-N590 VanDerWaalsContact O-N 3.16Å; N590-S592 PolarHBondContact ND2-OG 2.7Å; N590-S592 VanDerWaalsContact ND2-OG 3.16Å; N590-S592 PolarHBondContact O-N 3.28Å; N590-S592 WeakPolarHBondContact OD1-CB 3.38Å; N590-S592 PolarHBondContact OD1-N 2.93Å; N590-S592 PolarHBondContact OD1-OG 2.64Å; N590-V593 HydrophobicContact CB-CG2 4.12Å; N590-V593 PolarHBondContact O-N 3.05Å
591	M	94.3	Very high	86.9	Confident	22 Å²	22	32.2 Å²	32.2	11%	0.108	15%	0.154	C	C	.	.	H	α-helix	trans	-66	-20.2	-179.7	-74	-59.7	-58.9	0	0	113.4	L282 R283 V286 V589 V593 F594 D595	L282-M591 HydrophobicContact CD2-CE 4.4Å; L282-M591 HydrophobicContact CG-CE 4.21Å; R283-M591 HydrophobicContact CB-CG 4.47Å; R283-M591 HydrophobicContact CB-SD 4.23Å; R283-M591 HydrophobicContact CG-CG 4.14Å; R283-M591 HydrophobicContact CG-SD 4.06Å; V286-M591 HydrophobicContact CB-CE 4.49Å; V286-M591 HydrophobicContact CB-SD 4.13Å; V286-M591 HydrophobicContact CG1-SD 4.19Å; V286-M591 HydrophobicContact CG2-CE 4.01Å; V286-M591 HydrophobicContact CG2-SD 4.29Å; V589-M591 HydrophobicContact CG1-SD 4.14Å; M591-V593 PolarHBondContact O-N 3.06Å; M591-F594 HydrophobicContact CE-CB 4.09Å; M591-F594 HydrophobicContact CE-CD1 3.88Å; M591-F594 HydrophobicContact CE-CG 4.2Å; M591-F594 WeakPolarHBondContact O-CB 3.22Å; M591-F594 PolarHBondContact O-N 3.33Å; M591-D595 PolarHBondContact O-N 3.25Å
592	S	94.1	Very high	88.3	Confident	30 Å²	30	30.7 Å²	30.7	21%	0.21	15%	0.146	C	C	.	.	H	α-helix	trans	-61.3	-28.9	177.1	67.4	0	0	0	0	112.4	N590 D595 R596	N590-S592 PolarHBondContact ND2-OG 2.7Å; N590-S592 VanDerWaalsContact ND2-OG 3.16Å; N590-S592 PolarHBondContact O-N 3.28Å; N590-S592 WeakPolarHBondContact OD1-CB 3.38Å; N590-S592 PolarHBondContact OD1-N 2.93Å; N590-S592 PolarHBondContact OD1-OG 2.64Å; S592-D595 PolarHBondContact O-N 3.39Å; S592-R596 WeakPolarHBondContact O-CG 3.4Å; S592-R596 PolarHBondContact O-N 3.43Å
593	V	95.8	Very high	89.7	Confident	2 Å²	2	28.8 Å²	28.8	1%	0.012	14%	0.139	C	C	.	.	H	α-helix	trans	-66.5	-41.4	174.4	-171.4	0	0	0	0	111.1	F532 F534 L570 N590 M591 R596 L597	F532-V593 HydrophobicContact CB-CG1 3.7Å; F532-V593 HydrophobicContact CD2-CG1 4.03Å; F532-V593 HydrophobicContact CG-CG1 3.92Å; F534-V593 HydrophobicContact CE2-CG1 4.44Å; F534-V593 HydrophobicContact CZ-CG1 4.35Å; L570-V593 HydrophobicContact CB-CB 4.49Å; L570-V593 HydrophobicContact CB-CG1 4.32Å; L570-V593 HydrophobicContact CD1-CB 3.87Å; L570-V593 HydrophobicContact CD1-CG1 4.24Å; N590-V593 HydrophobicContact CB-CG2 4.12Å; N590-V593 PolarHBondContact O-N 3.05Å; M591-V593 PolarHBondContact O-N 3.06Å; V593-R596 PolarHBondContact O-N 3.17Å; V593-L597 PolarHBondContact O-N 2.85Å
594	F	95.8	Very high	90.5	Very high	2 Å²	2	25.8 Å²	25.8	1%	0.009	12%	0.124	C	C	.	.	H	α-helix	trans	-69.8	-35.4	175.1	-175.3	-94.8	0	0	0	111.8	L282 V286 L335 I338 L339 Y346 M591 L597 S598	L282-F594 HydrophobicContact CD1-CE1 3.78Å; L282-F594 HydrophobicContact CD1-CZ 4.23Å; L282-F594 HydrophobicContact CD2-CD1 4.47Å; L282-F594 HydrophobicContact CD2-CE1 4.15Å; L282-F594 HydrophobicContact CG-CE1 4.24Å; V286-F594 HydrophobicContact CG2-CD1 4.06Å; V286-F594 HydrophobicContact CG2-CD2 3.69Å; V286-F594 HydrophobicContact CG2-CE1 4.21Å; V286-F594 HydrophobicContact CG2-CE2 3.83Å; V286-F594 HydrophobicContact CG2-CG 3.8Å; V286-F594 HydrophobicContact CG2-CZ 4.09Å; L335-F594 HydrophobicContact CB-CE2 4.37Å; L335-F594 HydrophobicContact CD2-CD2 3.9Å; L335-F594 HydrophobicContact CD2-CE2 3.93Å; I338-F594 HydrophobicContact CB-CZ 4.3Å; I338-F594 HydrophobicContact CG2-CE2 4.33Å; I338-F594 HydrophobicContact CG2-CZ 3.69Å; L339-F594 HydrophobicContact CD2-CE1 3.88Å; L339-F594 HydrophobicContact CD2-CE2 3.99Å; L339-F594 HydrophobicContact CD2-CZ 3.43Å; L339-F594 VanDerWaalsContact CD2-CZ 3.43Å; L339-F594 HydrophobicContact CG-CE2 4.03Å; L339-F594 HydrophobicContact CG-CZ 3.81Å; Y346-F594 HydrophobicContact CE2-CE1 4.42Å; M591-F594 HydrophobicContact CE-CB 4.09Å; M591-F594 HydrophobicContact CE-CD1 3.88Å; M591-F594 HydrophobicContact CE-CG 4.2Å; M591-F594 WeakPolarHBondContact O-CB 3.22Å; M591-F594 PolarHBondContact O-N 3.33Å; F594-L597 HydrophobicContact CD2-CD2 4.47Å; F594-L597 WeakPolarHBondContact O-CB 3.3Å; F594-L597 PolarHBondContact O-N 3.02Å; F594-S598 WeakPolarHBondContact O-CB 3.28Å; F594-S598 PolarHBondContact O-N 3.28Å; F594-S598 PolarHBondContact O-OG 2.9Å
595	D	95.4	Very high	91.2	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-66.4	-36.4	174.5	-72.4	-27.9	0	0	0	112.1	F259 I262 N266 R279 Y346 M591 S592 S598 S599	F259-D595 HydrophobicContact CD2-CB 4.31Å; F259-D595 HydrophobicContact CE2-CB 3.88Å; I262-D595 HydrophobicContact CG2-CB 3.76Å; N266-D595 PolarHBondContact ND2-OD2 2.92Å; N266-D595 VanDerWaalsContact ND2-OD2 3.16Å; R279-D595 IonicContact CZ-OD1 3.67Å; R279-D595 IonicContact CZ-OD2 3.16Å; R279-D595 IonicContact NH1-OD1 3.5Å; R279-D595 PolarHBondContact NH1-OD1 3.12Å; R279-D595 IonicContact NH1-OD2 3.59Å; R279-D595 PolarHBondContact NH1-OD2 3.11Å; R279-D595 IonicContact NH2-OD1 2.67Å; R279-D595 IonicContact NH2-OD2 3.86Å; Y346-D595 PolarHBondContact OH-OD1 3.26Å; M591-D595 PolarHBondContact O-N 3.25Å; S592-D595 PolarHBondContact O-N 3.39Å; D595-S598 WeakPolarHBondContact O-CB 3.41Å; D595-S598 PolarHBondContact O-N 3.04Å; D595-S599 PolarHBondContact O-N 3.42Å
596	R	95.7	Very high	91.5	Very high	35 Å²	35	20.4 Å²	20.4	13%	0.132	10%	0.1	C	C	.	.	H	α-helix	trans	-64	-44.5	169.3	-71.9	-178	-169.5	-84.6	-6.7	112	F259 F534 D565 Y568 S592 V593 S598 S599 Y600	F259-R596 HydrophobicContact CD2-CB 4.3Å; F259-R596 HydrophobicContact CD2-CG 3.52Å; F259-R596 HydrophobicContact CE2-CB 4.39Å; F259-R596 HydrophobicContact CE2-CG 3.42Å; F259-R596 VanDerWaalsContact CE2-CG 3.42Å; F259-R596 HydrophobicContact CG-CG 4.18Å; F259-R596 HydrophobicContact CZ-CG 4Å; F534-R596 HydrophobicContact CD2-CB 4.31Å; F534-R596 HydrophobicContact CE1-CB 4.46Å; F534-R596 HydrophobicContact CE2-CB 3.76Å; F534-R596 HydrophobicContact CZ-CB 3.85Å; D565-R596 IonicContact OD1-NH1 3.92Å; D565-R596 IonicContact OD2-CZ 3.68Å; D565-R596 IonicContact OD2-NE 3.68Å; D565-R596 IonicContact OD2-NH1 2.86Å; D565-R596 PolarHBondContact OD2-NH1 3.48Å; Y568-R596 VanDerWaalsContact CE2-CD 3.48Å; Y568-R596 VanDerWaalsContact CZ-CZ 3.46Å; Y568-R596 VanDerWaalsContact CZ-NE 3.3Å; Y568-R596 PolarHBondContact OH-NH1 3.19Å; Y568-R596 PolarHBondContact OH-NH2 3.37Å; S592-R596 WeakPolarHBondContact O-CG 3.4Å; S592-R596 PolarHBondContact O-N 3.43Å; V593-R596 PolarHBondContact O-N 3.17Å; R596-S598 PolarHBondContact O-N 3Å; R596-S599 PolarHBondContact O-N 3.15Å; R596-S599 VanDerWaalsContact O-N 3.15Å; R596-S599 PolarHBondContact O-OG 3.24Å; R596-Y600 WeakPolarHBondContact O-CD2 3.46Å; R596-Y600 PolarHBondContact O-N 3.15Å; R596-Y600 VanDerWaalsContact O-N 3.12Å
597	L	95.7	Very high	91	Very high	3 Å²	3	23.9 Å²	23.9	2%	0.016	12%	0.12	C	C	.	.	H	α-helix	trans	-59.5	-36.1	173.8	-174.6	67	0	0	0	111.4	L335 F336 L339 V525 F534 V593 F594 Y600 Y601	L335-L597 HydrophobicContact CB-CD2 3.99Å; L335-L597 HydrophobicContact CD1-CD2 4.11Å; F336-L597 HydrophobicContact CE2-CD1 4.23Å; F336-L597 HydrophobicContact CZ-CD1 3.93Å; L339-L597 HydrophobicContact CD1-CD2 3.68Å; L339-L597 HydrophobicContact CD1-CG 3.58Å; V525-L597 HydrophobicContact CB-CD1 4.38Å; V525-L597 HydrophobicContact CG1-CD1 4.03Å; V525-L597 HydrophobicContact CG2-CD1 3.77Å; F534-L597 HydrophobicContact CE1-CB 3.82Å; F534-L597 HydrophobicContact CE1-CD1 3.8Å; F534-L597 HydrophobicContact CE1-CG 4.42Å; F534-L597 HydrophobicContact CZ-CB 4.09Å; V593-L597 PolarHBondContact O-N 2.85Å; F594-L597 HydrophobicContact CD2-CD2 4.47Å; F594-L597 WeakPolarHBondContact O-CB 3.3Å; F594-L597 PolarHBondContact O-N 3.02Å; L597-Y600 PolarHBondContact O-N 3.37Å; L597-Y601 WeakPolarHBondContact O-CB 3.34Å; L597-Y601 PolarHBondContact O-N 3.37Å
598	S	94.9	Very high	90.3	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.007	12%	0.115	C	C	.	.	H	α-helix	trans	-65.9	-41	175.2	-54	0	0	0	0	112.3	L339 Y346 F594 D595 R596 Y601 L602	L339-S598 WeakPolarHBondContact CD2-OG 3.4Å; Y346-S598 PolarHBondContact OH-OG 3.13Å; F594-S598 WeakPolarHBondContact O-CB 3.28Å; F594-S598 PolarHBondContact O-N 3.28Å; F594-S598 PolarHBondContact O-OG 2.9Å; D595-S598 WeakPolarHBondContact O-CB 3.41Å; D595-S598 PolarHBondContact O-N 3.04Å; R596-S598 PolarHBondContact O-N 3Å; S598-Y601 PolarHBondContact O-N 3.01Å; S598-L602 WeakPolarHBondContact O-CB 3.29Å; S598-L602 VanDerWaalsContact O-CG 3.23Å; S598-L602 WeakPolarHBondContact O-CG 3.19Å; S598-L602 PolarHBondContact O-N 3.16Å
599	S	93.8	Very high	89.1	Confident	3 Å²	3	22.2 Å²	22.2	2%	0.021	13%	0.126	C	C	.	.	H	α-helix	trans	-64.2	-41.7	176.6	71.3	0	0	0	0	111.9	L258 D595 R596 Y601 L602 C603	L258-S599 WeakPolarHBondContact CD2-O 3.32Å; D595-S599 PolarHBondContact O-N 3.42Å; R596-S599 PolarHBondContact O-N 3.15Å; R596-S599 VanDerWaalsContact O-N 3.15Å; R596-S599 PolarHBondContact O-OG 3.24Å; S599-Y601 PolarHBondContact O-N 3.31Å; S599-L602 PolarHBondContact O-N 2.67Å; S599-C603 WeakPolarHBondContact O-CB 3.46Å; S599-C603 PolarHBondContact O-N 2.81Å
600	Y	93.3	Very high	87.7	Confident	3 Å²	3	22.9 Å²	22.9	1%	0.012	13%	0.128	C	C	.	.	H	α-helix	trans	-62.1	-41.8	173.2	-86	-109.5	0	0	0	111.9	L255 Q523 F534 T536 R596 L597 C603	L255-Y600 HydrophobicContact CD1-CD1 4.41Å; L255-Y600 HydrophobicContact CD1-CD2 4.39Å; L255-Y600 HydrophobicContact CD1-CE1 3.97Å; L255-Y600 HydrophobicContact CD1-CE2 3.96Å; L255-Y600 HydrophobicContact CD2-CD2 4.12Å; L255-Y600 HydrophobicContact CD2-CE2 4.38Å; L255-Y600 HydrophobicContact CD2-CG 4.37Å; Q523-Y600 HydrophobicContact CB-CD1 4.09Å; Q523-Y600 HydrophobicContact CB-CE1 4.39Å; Q523-Y600 HydrophobicContact CG-CD1 4.07Å; Q523-Y600 HydrophobicContact CG-CE1 4.28Å; Q523-Y600 PolarHBondContact OE1-O 3.03Å; F534-Y600 HydrophobicContact CB-CD1 4.48Å; F534-Y600 HydrophobicContact CB-CD2 4.32Å; F534-Y600 HydrophobicContact CB-CE1 3.86Å; F534-Y600 HydrophobicContact CB-CE2 3.66Å; F534-Y600 VanDerWaalsContact CB-CZ 3.41Å; F534-Y600 WeakPolarHBondContact CB-OH 3.36Å; F534-Y600 HydrophobicContact CD1-CD1 4.48Å; F534-Y600 HydrophobicContact CD1-CD2 4.04Å; F534-Y600 HydrophobicContact CD1-CE2 4.22Å; F534-Y600 HydrophobicContact CD1-CG 4.19Å; F534-Y600 HydrophobicContact CG-CD2 4.35Å; F534-Y600 HydrophobicContact CG-CE2 4.07Å; T536-Y600 WeakPolarHBondContact OG1-CE1 3.35Å; T536-Y600 PolarHBondContact OG1-OH 3.11Å; R596-Y600 WeakPolarHBondContact O-CD2 3.46Å; R596-Y600 PolarHBondContact O-N 3.15Å; R596-Y600 VanDerWaalsContact O-N 3.12Å; L597-Y600 PolarHBondContact O-N 3.37Å; Y600-C603 WeakPolarHBondContact O-CB 3.37Å
601	Y	93.8	Very high	85.9	Confident	17 Å²	17	25.5 Å²	25.5	7%	0.067	14%	0.142	C	C	.	.	H	α-helix	trans	-68.7	-34.7	176.7	-173.7	-95.6	0	0	0	113.6	F336 L339 A343 R366 L597 S598 S599 L605	F336-Y601 AromaticContact CD1-CD2 3.94Å; F336-Y601 HydrophobicContact CD1-CD2 3.94Å; F336-Y601 HydrophobicContact CD1-CE2 4.3Å; F336-Y601 HydrophobicContact CE1-CD2 4.05Å; L339-Y601 HydrophobicContact CB-CD1 4.01Å; L339-Y601 HydrophobicContact CB-CD2 4.41Å; L339-Y601 HydrophobicContact CB-CE1 4.36Å; L339-Y601 HydrophobicContact CB-CG 4.04Å; L339-Y601 HydrophobicContact CD1-CG 4.34Å; A343-Y601 HydrophobicContact CB-CD1 4.3Å; A343-Y601 HydrophobicContact CB-CE1 3.92Å; R366-Y601 PolarHBondContact NH1-O 2.66Å; R366-Y601 PolarHBondContact NH2-O 2.88Å; L597-Y601 WeakPolarHBondContact O-CB 3.34Å; L597-Y601 PolarHBondContact O-N 3.37Å; S598-Y601 PolarHBondContact O-N 3.01Å; S599-Y601 PolarHBondContact O-N 3.31Å; Y601-L605 HydrophobicContact CD1-CD1 4.31Å; Y601-L605 HydrophobicContact CE1-CD1 3.99Å; Y601-L605 WeakPolarHBondContact O-CD1 3.28Å
602	L	91.9	Very high	84	Confident	2 Å²	2	26 Å²	26	1%	0.01	15%	0.145	C	C	.	.	H	α-helix	trans	-80.2	-22.1	179.5	-69.5	170.4	0	0	0	112.9	L258 I262 A343 Y346 M347 S598 S599 G604 L605	L258-L602 HydrophobicContact CD2-CB 4.1Å; I262-L602 HydrophobicContact CD1-CD1 4Å; A343-L602 HydrophobicContact CB-CD2 3.83Å; Y346-L602 HydrophobicContact CG-CD1 4.14Å; M347-L602 HydrophobicContact CE-CD2 3.58Å; M347-L602 HydrophobicContact CG-CD2 4.09Å; S598-L602 WeakPolarHBondContact O-CB 3.29Å; S598-L602 VanDerWaalsContact O-CG 3.23Å; S598-L602 WeakPolarHBondContact O-CG 3.19Å; S598-L602 PolarHBondContact O-N 3.16Å; S599-L602 PolarHBondContact O-N 2.67Å; L602-G604 PolarHBondContact O-N 3.32Å; L602-L605 WeakPolarHBondContact O-CB 3.24Å; L602-L605 PolarHBondContact O-N 2.67Å
603	C	89.7	Confident	81.9	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	131.7	176.7	-171.6	0	0	0	0	110.8	L255 R366 P404 F464 Q523 S599 Y600 L605	L255-C603 HydrophobicContact CD2-CB 3.83Å; R366-C603 PolarHBondContact NH2-O 2.8Å; P404-C603 VanDerWaalsContact CG-SG 3.51Å; F464-C603 HydrophobicContact CE1-CB 4.43Å; F464-C603 HydrophobicContact CZ-CB 4.31Å; F464-C603 WeakPolarHBondContact CZ-O 3.4Å; Q523-C603 PolarHBondContact NE2-SG 2.83Å; S599-C603 WeakPolarHBondContact O-CB 3.46Å; S599-C603 PolarHBondContact O-N 2.81Å; Y600-C603 WeakPolarHBondContact O-CB 3.37Å; C603-L605 PolarHBondContact O-N 3.19Å; C603-L605 VanDerWaalsContact O-N 3.16Å
604	G	84.9	Confident	79.6	Confident	5 Å²	5	35.2 Å²	35.2	5%	0.052	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.1	7.6	-177.5	0	0	0	0	0	116.1	I355 F365 L602	I355-G604 VanDerWaalsContact CD1-O 3.3Å; I355-G604 WeakPolarHBondContact CD1-O 3.46Å; F365-G604 WeakPolarHBondContact CE1-O 3.26Å; L602-G604 PolarHBondContact O-N 3.32Å
605	L	87.1	Confident	77.3	Confident	17 Å²	17	39.4 Å²	39.4	9%	0.089	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-10.5	161.8	-65.1	-178.1	0	0	0	112.5	M347 P354 I355 F365 R366 Y601 L602 C603	M347-L605 HydrophobicContact CE-CB 3.57Å; M347-L605 HydrophobicContact CE-CD1 3.89Å; M347-L605 HydrophobicContact CE-CG 4.37Å; P354-L605 CarbonylContact C-O 3.45Å; P354-L605 WeakPolarHBondContact CA-O 3.39Å; I355-L605 PolarHBondContact N-O 2.84Å; F365-L605 HydrophobicContact CB-CD2 3.88Å; F365-L605 HydrophobicContact CD1-CD2 3.23Å; F365-L605 HydrophobicContact CE1-CD2 3.96Å; F365-L605 HydrophobicContact CG-CD2 3.8Å; R366-L605 HydrophobicContact CG-CD2 3.94Å; Y601-L605 HydrophobicContact CD1-CD1 4.31Å; Y601-L605 HydrophobicContact CE1-CD1 3.99Å; Y601-L605 WeakPolarHBondContact O-CD1 3.28Å; L602-L605 WeakPolarHBondContact O-CB 3.24Å; L602-L605 PolarHBondContact O-N 2.67Å; C603-L605 PolarHBondContact O-N 3.19Å; C603-L605 VanDerWaalsContact O-N 3.16Å
606	I	85.2	Confident	75.1	Confident	3 Å²	3	43.5 Å²	43.5	2%	0.015	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-119.3	145.2	-170	58.3	177	0	0	0	110.5	L258 M347 L352 T353 T608	L258-I606 HydrophobicContact CD1-CD1 3.72Å; L258-I606 HydrophobicContact CD2-CD1 3.93Å; L258-I606 HydrophobicContact CG-CD1 4.45Å; M347-I606 HydrophobicContact CE-CG2 4.16Å; M347-I606 HydrophobicContact CG-CG2 4.26Å; L352-I606 HydrophobicContact CB-CB 4.46Å; L352-I606 HydrophobicContact CB-CG2 3.92Å; L352-I606 HydrophobicContact CD1-CD1 3.94Å; L352-I606 HydrophobicContact CD1-CG2 4.27Å; L352-I606 HydrophobicContact CD2-CD1 4.21Å; T353-I606 CarbonylContact O-C 3.59Å; T353-I606 VanDerWaalsContact O-CA 3.31Å; T353-I606 WeakPolarHBondContact O-CA 3.45Å; I606-T608 HydrophobicContact CD1-CG2 3.68Å; I606-T608 WeakPolarHBondContact CD1-OG1 3.34Å; I606-T608 HydrophobicContact CG1-CG2 4.06Å; I606-T608 WeakPolarHBondContact CG1-OG1 3.31Å; I606-T608 PolarHBondContact O-N 3.28Å
607	N	74.2	Confident	72.9	Confident	96 Å²	96	44 Å²	44	51%	0.513	24%	0.244	S	C	.	.			trans	-74.7	25.9	-179.4	-88.2	-30.6	0	0	0	113.9	T353 P354 I355	T353-N607 PolarHBondContact O-N 3.31Å; P354-N607 PolarHBondContact O-ND2 3.07Å; I355-N607 WeakPolarHBondContact CG1-OD1 3.46Å
608	T	68.6	Low	70.4	Confident	40 Å²	40	48.5 Å²	48.5	25%	0.245	27%	0.274	C	S	.	.			trans	-73.5	131.5	-179.8	50.2	0	0	0	0	110.8	L352 I606 F610	L352-T608 HydrophobicContact CD2-CG2 3.87Å; I606-T608 HydrophobicContact CD1-CG2 3.68Å; I606-T608 WeakPolarHBondContact CD1-OG1 3.34Å; I606-T608 HydrophobicContact CG1-CG2 4.06Å; I606-T608 WeakPolarHBondContact CG1-OG1 3.31Å; I606-T608 PolarHBondContact O-N 3.28Å; T608-F610 WeakPolarHBondContact O-CD2 3.49Å; T608-F610 WeakPolarHBondContact O-CE2 3.44Å; T608-F610 PolarHBondContact O-N 3.34Å; T608-F610 VanDerWaalsContact O-N 3.15Å; T608-F610 WeakPolarHBondContact OG1-CE2 3.31Å; T608-F610 VanDerWaalsContact OG1-CZ 3.29Å; T608-F610 WeakPolarHBondContact OG1-CZ 3.18Å
609	P	62.2	Low	68.1	Low	115 Å²	115	54.9 Å²	54.9	75%	0.747	30%	0.303	S	S	*	.			trans	-65.5	117.4	173.6	25.8	-31.9	0	0	0	109.7	N611	P609-N611 PolarHBondContact O-N 2.84Å
610	F	61.8	Low	65.8	Low	23 Å²	23	57.3 Å²	57.3	10%	0.101	32%	0.316	C	S	.	.			trans	-89.4	79.9	175.1	-65.5	-91.2	0	0	0	109	T254 P404 L405 N408 T608	T254-F610 HydrophobicContact CG2-CB 4.32Å; T254-F610 HydrophobicContact CG2-CD1 3.99Å; P404-F610 HydrophobicContact CB-CB 4.29Å; P404-F610 HydrophobicContact CB-CD1 4.1Å; P404-F610 HydrophobicContact CB-CD2 3.52Å; P404-F610 HydrophobicContact CB-CE1 4.36Å; P404-F610 HydrophobicContact CB-CE2 3.8Å; P404-F610 HydrophobicContact CB-CG 3.71Å; P404-F610 HydrophobicContact CB-CZ 4.23Å; P404-F610 HydrophobicContact CG-CD1 4.11Å; P404-F610 HydrophobicContact CG-CD2 4.05Å; P404-F610 HydrophobicContact CG-CE1 3.93Å; P404-F610 HydrophobicContact CG-CE2 3.86Å; P404-F610 HydrophobicContact CG-CG 4.19Å; P404-F610 HydrophobicContact CG-CZ 3.81Å; L405-F610 WeakPolarHBondContact O-CB 3.4Å; N408-F610 PolarHBondContact ND2-O 2.74Å; T608-F610 WeakPolarHBondContact O-CD2 3.49Å; T608-F610 WeakPolarHBondContact O-CE2 3.44Å; T608-F610 PolarHBondContact O-N 3.34Å; T608-F610 VanDerWaalsContact O-N 3.15Å; T608-F610 WeakPolarHBondContact OG1-CE2 3.31Å; T608-F610 VanDerWaalsContact OG1-CZ 3.29Å; T608-F610 WeakPolarHBondContact OG1-CZ 3.18Å
611	N	54.8	Low	63.3	Low	117 Å²	117	61.8 Å²	61.8	63%	0.626	34%	0.34	S	S	*	.			trans	-122.7	119.7	168.1	-83.2	-19.8	0	0	0	108.4	N408 P609 N613	N408-N611 PolarHBondContact ND2-OD1 3.27Å; P609-N611 PolarHBondContact O-N 2.84Å; N611-N613 PolarHBondContact O-N 2.88Å
612	I	54.6	Low	60.8	Low	32 Å²	32	65.8 Å²	65.8	16%	0.164	37%	0.366	C	S	.	.			trans	-67.4	126.2	170.3	-69.9	174.2	0	0	0	108.2	P253 F406 L407 W563 E614	P253-I612 HydrophobicContact CG-CG1 4.28Å; P253-I612 HydrophobicContact CG-CG2 4.19Å; F406-I612 HydrophobicContact CB-CD1 4.1Å; F406-I612 WeakPolarHBondContact O-CD1 3.38Å; F406-I612 WeakPolarHBondContact O-CG1 3.26Å; L407-I612 HydrophobicContact CD2-CD1 3.78Å; L407-I612 HydrophobicContact CG-CD1 4.18Å; W563-I612 HydrophobicContact CZ2-CD1 4.47Å; I612-E614 PolarHBondContact O-N 2.64Å
613	N	50.7	Low	58.3	Low	120 Å²	120	68 Å²	68	64%	0.642	38%	0.378	S	S	*	.			trans	-65	120.5	166.5	-117.5	-6.1	0	0	0	108.1	N611 S615 L616	N611-N613 PolarHBondContact O-N 2.88Å; N613-S615 PolarHBondContact O-N 2.75Å; N613-L616 PolarHBondContact O-N 2.89Å
614	E	48.5	Very low	55.9	Low	106 Å²	106	73 Å²	73	50%	0.495	41%	0.405	S	S	.	.	G	3₁₀ helix	trans	-60.2	-1.2	-179.4	-65.2	-170.9	153.2	0	0	114.1	T412 I612 I617	T412-E614 PolarHBondContact OG1-OE1 3.37Å; I612-E614 PolarHBondContact O-N 2.64Å; E614-I617 VanDerWaalsContact CA-CD1 3.48Å; E614-I617 HydrophobicContact CB-CD1 3.7Å; E614-I617 HydrophobicContact CB-CG1 4.46Å; E614-I617 HydrophobicContact CG-CD1 4.1Å; E614-I617 WeakPolarHBondContact O-CB 3.47Å; E614-I617 WeakPolarHBondContact O-CD1 3.05Å; E614-I617 WeakPolarHBondContact O-CG1 3.15Å
615	S	46.1	Very low	53.5	Low	89 Å²	89	79.7 Å²	79.7	62%	0.622	44%	0.439	S	S	*	.	G	3₁₀ helix	trans	-81.6	-18.3	177.1	60.7	0	0	0	0	114.5	N613 I617 P618	N613-S615 PolarHBondContact O-N 2.75Å; S615-I617 VanDerWaalsContact C-N 3.26Å; S615-I617 PolarHBondContact O-N 3.1Å; S615-P618 VanDerWaalsContact O-CD 3.3Å; S615-P618 WeakPolarHBondContact O-CD 3.47Å
616	L	49.1	Very low	51.2	Low	86 Å²	86	85.6 Å²	85.6	45%	0.45	47%	0.466	S	S	.	.	G	3₁₀ helix	trans	-87.4	3.2	-180	-72.2	161.1	0	0	0	113.4	P253 N613 P618	P253-L616 HydrophobicContact CB-CD1 3.67Å; P253-L616 HydrophobicContact CG-CB 4.41Å; P253-L616 HydrophobicContact CG-CD1 3.67Å; N613-L616 PolarHBondContact O-N 2.89Å; L616-P618 VanDerWaalsContact C-CD 3.41Å
617	I	50.2	Low	48.9	Very low	46 Å²	46	89 Å²	89	24%	0.236	48%	0.484	C	S	.	.	G	3₁₀ helix	trans	-64.2	-31.7	-176.7	-63.3	-164.8	0	0	0	115.3	T412 F416 E614 S615 E619 L620	T412-I617 HydrophobicContact CG2-CD1 4.23Å; F416-I617 HydrophobicContact CD1-CG2 4.37Å; F416-I617 HydrophobicContact CE1-CB 4.07Å; F416-I617 HydrophobicContact CE1-CD1 4.29Å; F416-I617 HydrophobicContact CE1-CG1 4.14Å; F416-I617 HydrophobicContact CE1-CG2 3.39Å; F416-I617 HydrophobicContact CE2-CD1 3.54Å; F416-I617 HydrophobicContact CE2-CG1 3.97Å; F416-I617 HydrophobicContact CZ-CB 3.76Å; F416-I617 HydrophobicContact CZ-CD1 3.38Å; F416-I617 HydrophobicContact CZ-CG1 3.31Å; F416-I617 HydrophobicContact CZ-CG2 3.53Å; E614-I617 VanDerWaalsContact CA-CD1 3.48Å; E614-I617 HydrophobicContact CB-CD1 3.7Å; E614-I617 HydrophobicContact CB-CG1 4.46Å; E614-I617 HydrophobicContact CG-CD1 4.1Å; E614-I617 WeakPolarHBondContact O-CB 3.47Å; E614-I617 WeakPolarHBondContact O-CD1 3.05Å; E614-I617 WeakPolarHBondContact O-CG1 3.15Å; S615-I617 VanDerWaalsContact C-N 3.26Å; S615-I617 PolarHBondContact O-N 3.1Å; I617-E619 PolarHBondContact O-N 2.74Å; I617-L620 WeakPolarHBondContact O-CD1 3.42Å
618	P	43.8	Very low	47	Very low	98 Å²	98	92.9 Å²	92.9	64%	0.636	50%	0.498	S	S	*	.	G	3₁₀ helix	trans	-75.5	-18.5	-174.5	-19.4	33.3	0	0	0	116.5	S615 L616 L620	S615-P618 VanDerWaalsContact O-CD 3.3Å; S615-P618 WeakPolarHBondContact O-CD 3.47Å; L616-P618 VanDerWaalsContact C-CD 3.41Å; P618-L620 PolarHBondContact O-N 2.78Å
619	E	46.8	Very low	45.1	Very low	134 Å²	134	102.1 Å²	102.1	63%	0.626	54%	0.539	S	S	*	.	G	3₁₀ helix	trans	-78.3	-7	-177.6	-70.3	-178.4	170.2	0	0	113.5	I617 N621 T622	I617-E619 PolarHBondContact O-N 2.74Å; E619-N621 VanDerWaalsContact C-N 3.28Å; E619-N621 PolarHBondContact O-N 3.01Å; E619-T622 PolarHBondContact O-OG1 3.21Å
620	L	45.7	Very low	44.2	Very low	54 Å²	54	101.5 Å²	101.5	28%	0.283	53%	0.528	S	S	.	.	G	3₁₀ helix	trans	-74	-13.2	-174	-65.2	165.7	0	0	0	114	T248 F416 I617 P618	T248-L620 HydrophobicContact CG2-CD2 3.11Å; T248-L620 WeakPolarHBondContact OG1-CD2 3.15Å; F416-L620 HydrophobicContact CD1-CD1 4.37Å; F416-L620 HydrophobicContact CE1-CD1 3.4Å; F416-L620 VanDerWaalsContact CE1-CD1 3.4Å; F416-L620 HydrophobicContact CZ-CD1 3.75Å; I617-L620 WeakPolarHBondContact O-CD1 3.42Å; P618-L620 PolarHBondContact O-N 2.78Å
621	N	40.8	Very low	43.3	Very low	97 Å²	97	105.6 Å²	105.6	52%	0.519	55%	0.551	S	S	.	*	G	3₁₀ helix	trans	-109.3	-12.2	-178	-84.1	-18.6	0	0	0	114.7	E619	E619-N621 VanDerWaalsContact C-N 3.28Å; E619-N621 PolarHBondContact O-N 3.01Å
622	T	41.3	Very low	42.7	Very low	101 Å²	101	104.9 Å²	104.9	62%	0.62	55%	0.547	S	S	*	.	S	Bend	trans	-86.4	-3.7	-173.5	19	0	0	0	0	114.7	E619	E619-T622 PolarHBondContact O-OG1 3.21Å
623	I	39.2	Very low	42	Very low	50 Å²	50	109.2 Å²	109.2	26%	0.256	57%	0.569	S	S	.	*	S	Bend	trans	-101.1	-12.7	-167.9	-64.4	172.1	0	0	0	113.7	L249 N625 Q626 I627	L249-I623 HydrophobicContact CB-CD1 4.42Å; L249-I623 HydrophobicContact CB-CG2 4.07Å; L249-I623 HydrophobicContact CD1-CG2 3.45Å; L249-I623 VanDerWaalsContact CD1-CG2 3.45Å; L249-I623 HydrophobicContact CG-CG2 3.75Å; I623-N625 PolarHBondContact O-N 3.23Å; I623-N625 VanDerWaalsContact O-N 3.1Å; I623-Q626 PolarHBondContact O-N 3.38Å; I623-Q626 VanDerWaalsContact O-N 3.09Å; I623-I627 HydrophobicContact CG2-CD1 4.41Å
624	N	37.8	Very low	41.4	Very low	105 Å²	105	108.6 Å²	108.6	56%	0.561	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.2	-10	176.7	-81.3	-19.3	0	0	0	114.6
625	N	34.9	Very low	41	Very low	144 Å²	144	108.7 Å²	108.7	77%	0.77	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.6	-7.9	173.3	-74.3	-13	0	0	0	113.9	I623	I623-N625 PolarHBondContact O-N 3.23Å; I623-N625 VanDerWaalsContact O-N 3.1Å
626	Q	38.3	Very low	40.6	Very low	141 Å²	141	110.1 Å²	110.1	66%	0.659	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.4	-4.4	-178	-75.1	-175.2	-24.1	0	0	114.1	I623 H628	I623-Q626 PolarHBondContact O-N 3.38Å; I623-Q626 VanDerWaalsContact O-N 3.09Å; Q626-H628 VanDerWaalsContact C-N 3.29Å
627	I	38.6	Very low	39.9	Very low	76 Å²	76	112 Å²	112	39%	0.39	57%	0.574	S	S	.	*	S	Bend	trans	-89.1	-0.1	176.2	-55.3	172.7	0	0	0	111.1	L249 I623	L249-I627 HydrophobicContact CD1-CD1 3.72Å; L249-I627 HydrophobicContact CD1-CG1 4.01Å; L249-I627 HydrophobicContact CD2-CD1 4.39Å; L249-I627 HydrophobicContact CG-CD1 4.17Å; I623-I627 HydrophobicContact CG2-CD1 4.41Å
628	H	34.1	Very low	39.1	Very low	176 Å²	176	117.5 Å²	117.5	82%	0.815	60%	0.602	S	S	*	*			trans	-116.4	8.9	-178.5	-78.8	-51.5	0	0	0	114.8	Q626	Q626-H628 VanDerWaalsContact C-N 3.29Å
629	E	28	Very low	38.7	Very low	234 Å²	234	119.3 Å²	119.3	100%	1.093	60%	0.599	S	S	*	*			trans	-111.1	0	165.2	-72.9	-174.1	164.7	0	0	109.8

Retrieved 629 of 629 residues in 228.7 ms (Link to these results)

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